smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2OC(F)F)c1=O 25521589 CCLSUNOYINDFNL-UHFFFAOYSA-N 408.361 0.784 30 20 HCED CCCN(C(=O)[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCS(=O)(=O)C1 29450574 CDXXLNAQOOGURG-SJLPKXTDSA-N 419.551 0.889 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 409492423 QEQGJTABOYPUGB-CABCVRRESA-N 406.516 0.657 30 20 HCED Cc1ncc(S(=O)(=O)N=c2cc[nH]c(C(=O)N3CCN(C)CC3)c2)cc1C#N 427782315 RJFQBUNFYSSOJV-UHFFFAOYSA-N 400.464 0.267 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 430392090 IKLILBZVGOPKEQ-SJLPKXTDSA-N 423.535 0.829 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCC2)c1=O 430974830 FCBPHBSMAHXZIQ-UHFFFAOYSA-N 413.503 0.039 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 441852454 YXRQLLSQYWXPHI-IUODEOHRSA-N 402.407 0.057 30 20 HCED C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 443463958 KPPNIRFSXOTJPQ-UHFFFAOYSA-N 403.526 0.505 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 462028024 YHRJIKIBSXSCRY-CQSZACIVSA-N 403.468 0.850 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)o[nH]1 462283482 JGQSNCIFIHSPQA-UHFFFAOYSA-N 404.452 0.257 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 463194255 QMVBTOGGCPKZLC-CRAIPNDOSA-N 416.507 0.496 30 20 HCED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 464879473 YPBYNIGMFKLWLO-CYBMUJFWSA-N 414.434 0.022 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2cccnn2)CC1 469949770 DTQVWOYFIZQYJW-AWEZNQCLSA-N 414.491 0.800 30 20 HCED Cn1ncc(C(=O)NCC2CCC(CNC(=O)c3cnn(C)c3C#N)CC2)c1C#N 476185341 AMEXJLFGVBMNCU-UHFFFAOYSA-N 408.466 0.863 30 20 HCED COC(=O)Cn1ncc2c(=O)n(CCS(=O)(=O)c3ccc(C#N)cc3)cnc21 480299858 HKCNCSDMSIYTBQ-UHFFFAOYSA-N 401.404 0.112 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)NCC1CC1 481213562 ZIVRWZIIKNVDGB-LRDDRELGSA-N 422.532 0.653 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC(C#N)CC3)c2)CC1 490458257 MMOJWSOSQYMHIK-UHFFFAOYSA-N 419.507 0.323 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 495946610 HEUBGSALFZNTKQ-SJORKVTESA-N 410.430 0.872 30 20 HCED CN1CCN(CCNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1(C)C 496395883 QRMPEOFYDWUGFM-UHFFFAOYSA-N 412.538 0.349 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccn2)c1=O 508307352 SVACSNMODKMEPB-UHFFFAOYSA-N 412.471 0.040 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(OCCO)CC2)n1 513508995 VLKLGBLMLFYLJJ-UHFFFAOYSA-N 401.398 0.821 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2C)C1=O 520995558 SGLGADYXYVBTBS-CQSZACIVSA-N 416.459 0.812 30 20 HCED COc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1[C@@]1(C)NC(=O)NC1=O 521059671 FJSSXHKGRBMKLI-QGZVFWFLSA-N 401.404 0.817 30 20 HCED COCC(=O)N1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 522142996 OWZAUJIDWHXXKM-UHFFFAOYSA-N 410.377 0.852 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCc1cccnc1 531130905 MQDVQMFPKIOREN-UHFFFAOYSA-N 421.507 0.730 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 531793705 ZZLIPSADBXMWRD-ILXRZTDVSA-N 406.512 0.924 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCNS(=O)(=O)c1cccnc1 532992156 YVHQSBVYLUMRJX-UHFFFAOYSA-N 403.464 0.698 30 20 HCED COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1OC 535169465 VDLXKWWDCIINNJ-HNNXBMFYSA-N 413.434 0.947 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCC(O)(CN4CCOCC4)CC3)cc2)c1N 538936748 UFMYXFBDFMEEFC-UHFFFAOYSA-N 410.478 0.625 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cn1 545180696 ZOTZQLWVQSSZIR-MSOLQXFVSA-N 423.477 0.837 30 20 HCED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549694166 OVRMSJXWPVWTNW-CQSZACIVSA-N 402.503 0.834 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1ccc(C#N)cc1 550979604 PEWATPMYHDIQKV-HUUCEWRRSA-N 418.461 0.910 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 554305320 LCCBXKKOEKSTMZ-UHFFFAOYSA-N 416.522 0.880 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CCN1Cc1ccccc1 554698980 JKKLSTIMGFCYFV-MOPGFXCFSA-N 400.479 0.535 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 556269802 QOVYGAXQTARDSC-GOSISDBHSA-N 415.494 0.254 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1 556604770 MKFQHXUHBTZQEN-UHFFFAOYSA-N 420.422 0.821 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 557546129 UAMLGAYRMBQRFW-AWEZNQCLSA-N 408.524 0.539 30 20 HCED CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 560299931 SDMMCRDXWVJIQI-HXUWFJFHSA-N 420.517 0.891 30 20 HCED Cc1ccc2nc(CNC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)cn2c1 564619346 KZUAZZZFHPQSFE-UHFFFAOYSA-N 414.429 1.409 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 574800919 GYUFCQUHUFNRFS-UHFFFAOYSA-N 412.541 0.148 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](CO)Cc2ccc(F)cc2)cc1 578267346 GYYTWYJGYRQSEL-INIZCTEOSA-N 405.451 0.943 30 20 HCED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 580006873 QDARRVDPINWNDZ-GXFFZTMASA-N 421.866 0.885 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 588127442 HNOYXQFDHBXMPT-QGZVFWFLSA-N 401.442 0.147 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)c1 606124623 HRSQQNHHVQVHRS-MRXNPFEDSA-N 402.451 0.433 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 609945227 XJZZMQQHEFBRQY-UHFFFAOYSA-N 403.395 0.799 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)C1 610232600 CROOXYNUWPQZCF-OAHLLOKOSA-N 402.480 0.870 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 610239416 AYRYGQJTYPKCSX-SFHVURJKSA-N 420.535 0.854 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOC[C@H]3C#N)c(Br)cc21 610266945 UUQKFGJZXKJDNL-SECBINFHSA-N 415.269 0.553 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)Nc2nn(C)cc2C#N)c1 610565554 YOUJBZBOSBMNTF-SNVBAGLBSA-N 405.440 0.349 30 20 HCED C=CCN(CC=C)C(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21 731810613 ADJPSGRKSCSMCK-UHFFFAOYSA-N 417.447 0.554 30 20 HCED C#CCSCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 739825410 MPDHVXSKDUXNJD-HNNXBMFYSA-N 418.562 0.251 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 744447432 KWKRJDXZWVDOOO-UHFFFAOYSA-N 420.535 0.128 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 746171457 SKIMSRYAVYBOBY-MRCUWXFGSA-N 414.437 0.956 30 20 HCED Cc1c(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748418005 NECLVLQAROAVLC-UHFFFAOYSA-N 421.413 0.802 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 748559144 UHGCNEUXGNLLQJ-UHFFFAOYSA-N 410.452 0.227 30 20 HCED C#CCCN1CCN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 749657261 KBHQUNMSORHYNI-UHFFFAOYSA-N 409.468 0.212 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)C1=O 753696912 MEAMZGQZJFDGTK-CHWSQXEVSA-N 407.448 0.376 30 20 HCED C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 755361944 PSUKTDHMXHLXHH-XCHVRBFASA-N 409.439 0.878 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 755491076 CGBPPRRQYZAGJK-GFCCVEGCSA-N 404.872 0.755 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O 757391904 WMCDURAINQOMAW-RBSFLKMASA-N 406.483 0.985 30 20 HCED Cn1c(=O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)cnc2n(C)c1=O 760409817 UIGDKSCAXJVNQA-UHFFFAOYSA-N 419.463 0.166 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)C#Cc3ccc4c(c3)OCO4)CC2)cn1 762219912 JLDNJGNBEVFCEZ-UHFFFAOYSA-N 416.459 0.470 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2nc(CS(C)(=O)=O)no2)C1 765239019 DAFXXQKBHVUABN-UWVGGRQHSA-N 414.444 0.495 30 20 HCED CNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766262064 SJYWDXREJYNSTN-MRXNPFEDSA-N 420.491 0.063 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677509 SHEFYUJCNMIUGY-KBPBESRZSA-N 406.464 0.776 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCCOC)cc1)[C@@H]1CCCO1 773788836 KOIIGLPULPXFNC-SJORKVTESA-N 408.476 0.732 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@H]1CCCO1 773796748 QBFGLFZFAQQZPE-RBUKOAKNSA-N 412.490 0.619 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)NCC#CCO)ccc2Cl)C[C@@H](C)O1 774293147 PWRLQNOZBZWNLY-CHWSQXEVSA-N 400.884 0.863 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)cc(Cl)c2)c1=O 776750730 BNKWETPWXQSMOQ-UHFFFAOYSA-N 419.865 0.601 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2ncn(C)c2=O)cc1 778635464 VSZKIRPEWLFTAB-LTGZKZEYSA-N 420.495 0.814 30 20 HCED C[C@@H](O)c1cn(C2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 779559909 GHSLFNLYPRFHNY-GFCCVEGCSA-N 418.479 0.234 30 20 HCED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1 782249838 OGCXTGXARBAIPE-UHFFFAOYSA-N 422.422 0.525 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 787601693 FTRSFTPIEWQJOT-XQQFMLRXSA-N 404.423 0.488 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 793869990 KXNPQUFABJHEFI-IBGZPJMESA-N 406.483 0.638 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(C#N)cs2)c1=O 794648316 ZYQZHQRYFFTGKR-AWEZNQCLSA-N 409.492 0.975 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(C3CCN(S(=O)(=O)NC)CC3)n2)c1 809346347 JXBVJTUUCYOCTM-UHFFFAOYSA-N 403.464 0.743 30 20 HCED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 810773467 GISSHTRMWMSYNN-UHFFFAOYSA-N 414.505 0.565 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 816099078 IVMQMAFECOUZPX-WFASDCNBSA-N 413.434 0.857 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCOC 916198476 MLJIHHMWQFXIIN-UHFFFAOYSA-N 401.488 0.130 30 20 HCED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2(C#N)CCN(C)CC2)c1 917126267 SNYMUBVBHXYUJL-UHFFFAOYSA-N 414.915 0.982 30 20 HCED C=CCCn1cc(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 964276572 ACPVADBFLGLEFF-GZHKEPGYSA-N 401.467 0.235 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1122707751 NEGMSHPNUBBBGA-BFHYXJOUSA-N 419.459 0.378 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)nc2n(C)c1=O 1132098415 IWOSIDFEDFLYIB-UHFFFAOYSA-N 404.430 0.466 30 20 HCED CN1CCN(C(=O)N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)CC1 1136664327 XPEBORHAKPZUIX-UHFFFAOYSA-N 422.493 0.451 30 20 HCED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1251969398 QVSVZSMFOCMKGY-IOASZLSFSA-N 418.475 0.797 30 20 HCED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1297796473 NQICBBAYWHNHIM-GUNSETOZSA-N 413.507 0.799 30 20 HCED COC(=O)[C@]12CCC[C@H]1CN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)C2 1460722422 ZMCUQXKDZSAWAZ-YWZLYKJASA-N 401.467 0.778 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1477759898 IUXAUUPMIYQPKL-UHFFFAOYSA-N 421.527 0.150 30 20 HCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1501194531 OSQMJEYZMONYHL-KRWDZBQOSA-N 422.493 0.899 30 20 HCED Cc1cc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)nn1-c1cccc(C#N)c1 1569041746 RLAQCPUMECXPLY-INIZCTEOSA-N 402.480 0.840 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1615094939 KARHRJLAHAIFRF-QGZVFWFLSA-N 422.493 0.851 30 20 HCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCNS(C)(=O)=O 1617869092 NLKXNRWHFJKFDZ-INIZCTEOSA-N 404.496 0.839 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1760696045 OLISYQZMKOAIOM-ZIAGYGMSSA-N 410.544 0.938 30 20 HCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1769159339 UAUDWOIMQYIJKQ-SFTDATJTSA-N 410.478 0.931 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1778968765 VOEZSTPNTBJFOP-LAUBAEHRSA-N 404.511 0.674 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1778971915 RIQPVIRIEHPECR-VLIAUNLRSA-N 405.451 0.509 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1779063428 YAMZACYYFPKKMK-NRFANRHFSA-N 400.479 0.412 30 20 HCED 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XICLGLFKOABIMS-HNNXBMFYSA-N 424.509 0.924 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836190615 SFAMUBLACNDWRB-GCJKJVERSA-N 417.506 0.654 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838064186 BWOVELCJOANTPR-NRFANRHFSA-N 410.430 0.237 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838252288 UOZASMOHHPTRGZ-SFHVURJKSA-N 407.858 0.750 30 20 HCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1Cl 1838311574 MLIVOFOZIOAYJV-IBGZPJMESA-N 421.885 0.837 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1 1838829609 HUSYZNYWLLRZJX-OAQYLSRUSA-N 414.462 0.359 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839223377 UBQJEJJQECXJBT-LIRRHRJNSA-N 407.471 0.589 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=C(C)OCC3)C2)C1 1839224338 JJPHAKPSBVXXMV-JXFKEZNVSA-N 409.483 0.938 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1839229199 DCNNEDIIFZVNHF-WIYYLYMNSA-N 424.542 0.730 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1839606231 MMFOTKRTTFQEQW-NRFANRHFSA-N 410.430 0.924 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840159851 PIQRFUAPOVXSIS-KZULUSFZSA-N 405.480 0.346 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840295248 DFFLUVWICKCRRT-FQEVSTJZSA-N 403.483 0.318 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1843104327 OIEJULXBGCUKJO-GJZGRUSLSA-N 406.483 0.864 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414147 FABAUSBOSRHFNA-HNNXBMFYSA-N 414.528 0.416 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1843983853 PBQABRSPIITOAA-MGPUTAFESA-N 405.495 0.831 30 20 HCED Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409507510 OFYLGKVTODQLAT-SFHVURJKSA-N 422.507 0.296 30 20 HCED COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 409515233 SNKPZVXQGPXIJZ-OAHLLOKOSA-N 409.512 0.588 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)n2)c1 409721458 LDEMKPQUOPCRBN-UHFFFAOYSA-N 405.418 1.052 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)CCNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 410140157 PNUHOIASDCMBIE-HNNXBMFYSA-N 415.537 0.817 30 20 HCED CN(Cc1ccccc1S(N)(=O)=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 431616898 KCNBHOQGBBNYOA-UHFFFAOYSA-N 410.433 0.935 30 20 HCED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 438869890 IQWNHJFQRKLOMM-CYBMUJFWSA-N 405.430 0.843 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 442096970 MWMXLWADJYORFD-CQSZACIVSA-N 402.451 0.991 30 20 HCED CCc1nc(CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cs1 444507786 QBMXRXPNJBFQIR-UHFFFAOYSA-N 401.496 1.099 30 20 HCED Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)cc1S(=O)(=O)NCC#N 446444816 PPOJCNAODFQPGR-MRXNPFEDSA-N 416.507 0.929 30 20 HCED CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460603649 SFBPGMONOXFHDE-UHFFFAOYSA-N 417.429 0.796 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1COc2ccccc2O1 460619757 NKTOAYRSVPZUGW-HNNXBMFYSA-N 418.413 1.342 30 20 HCED COCC(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464812309 KGFCWWVVQPEIDJ-CQSZACIVSA-N 401.471 0.206 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 465063577 GYFVZOFQGTXNFY-PBHICJAKSA-N 418.523 0.985 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 467285835 LWHQIGJHDURMCV-KRWDZBQOSA-N 423.477 0.016 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 476083572 JBWGNTHICVHGEA-UHFFFAOYSA-N 412.454 0.266 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C)CC#N)CC2)cc1 481221465 WMAFFKOSNVNVQE-OAHLLOKOSA-N 422.507 0.727 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486500951 MSKZJFVQGNFMON-SJORKVTESA-N 419.507 0.382 30 20 HCED Cc1ccc(-n2cc(S(=O)(=O)NCCC#N)cn2)cc1S(=O)(=O)NCCC#N 487390199 ICAABAHUUZYRKK-UHFFFAOYSA-N 422.492 0.565 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCOC)cc2C)CC1 491146877 NJKLPORUVPMJOB-UHFFFAOYSA-N 418.494 0.405 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C3CC3)[C@H](C)CS(C)(=O)=O)CC2)o1 500253173 OIIFJTRTWYRQPE-CYBMUJFWSA-N 409.512 0.401 30 20 HCED C=CCOc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC 502715291 IOIZOMJFIKIGRN-JKSUJKDBSA-N 410.492 0.488 30 20 HCED CN(CC(=O)N1CCC[C@H](c2nnc(O)o2)C1)S(=O)(=O)c1ccc(C#N)cc1 507905060 MGHXUAJMJIYURH-ZDUSSCGKSA-N 405.436 0.674 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 509412453 AZQXLHFTLMKXAQ-HNNXBMFYSA-N 407.562 0.204 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)cc2)ccn1 514697309 WOTPIECNNXACHS-UHFFFAOYSA-N 422.401 0.742 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2OC)c1=O 514916276 BVPILQIEFDSFBC-CQSZACIVSA-N 415.515 0.983 30 20 HCED Cc1nsc(N2CCN(C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)CC2)c1C#N 518850692 SYSBTLASKQCCTQ-UKRRQHHQSA-N 406.512 0.791 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)Nc1ccccn1 532467157 GLTVGEMRWBGWGY-CYBMUJFWSA-N 401.448 0.765 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC[S@@](C)=O)cc1 537006477 MVXNUTPNPIGWDN-ZBSNKRKSSA-N 415.537 0.705 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 539691092 GEMLEMGMRCUABH-OKILXGFUSA-N 402.451 0.293 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 548617108 IXUWVVPRGLTMAO-LBPRGKRZSA-N 417.874 0.157 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 551566270 HXWQGVVHDMKSPO-UHFFFAOYSA-N 416.459 0.990 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 553562979 BEUMAAIQUCBLHW-LRDDRELGSA-N 403.526 0.977 30 20 HCED COc1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1S(N)(=O)=O 554707914 UPRNZSVVFMRQMF-UHFFFAOYSA-N 413.452 0.973 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C1=O 559781730 QFHDSXZLCUNJHR-ROUUACIJSA-N 412.490 0.712 30 20 HCED Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 559872929 CPAYYLMTEBBNAZ-GOSISDBHSA-N 408.462 0.442 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3COC[C@H]3O)nnc12 561211235 QARCDYZFEMMFQP-HUUCEWRRSA-N 415.475 0.540 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 564126711 WOLSBVICATXZPQ-OALUTQOASA-N 400.479 0.513 30 20 HCED COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 572564085 XTQURBQVSYWKRE-INIZCTEOSA-N 411.462 0.959 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 573373004 JUDULLIGWPCGHT-CQSZACIVSA-N 417.491 0.828 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 573374261 GTAMEBIJFHIOLZ-UHFFFAOYSA-N 400.445 0.811 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 573406459 GYONZNVUOJCDSF-QGZVFWFLSA-N 408.462 0.942 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CN(C)CCO1 589138329 AHQWZMGOKDIIBO-KSSFIOAISA-N 403.458 0.181 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 590897967 UVLNIXIRBPKGBK-CQSZACIVSA-N 413.499 0.759 30 20 HCED CC(C)C[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1 593235961 PITJQTARKOPNGL-KRWDZBQOSA-N 408.524 0.700 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)cc2F)c1=O 603924485 FAUCNBGNHKDAGB-UHFFFAOYSA-N 407.442 0.864 30 20 HCED CN(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(=O)(=O)c1cccnc1 604195964 WYHIUGPSGXONMY-UHFFFAOYSA-N 400.464 0.318 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 609341954 GEFICQUONFZADQ-UHFFFAOYSA-N 419.507 0.514 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cn2)c1 609956349 ZDQFNUSGHCHGQB-UHFFFAOYSA-N 403.420 0.479 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c([N+](=O)[O-])c1 610193590 KLWWZXQMQZZWTH-UHFFFAOYSA-N 420.407 0.323 30 20 HCED C[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1CCN(c2ccc(F)cc2)CC1 735116557 PFMJQPFZTWPWCP-APFMSCDFSA-N 415.469 0.979 30 20 HCED Cc1cc(C(=O)OCC(=O)Nc2cccc(C#N)c2)nc2c1c(=O)n(C)c(=O)n2C 738861159 RGRGVMHKVHRRFP-UHFFFAOYSA-N 407.386 0.608 30 20 HCED C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741343134 ZSVAGDMTKMSPGG-JYHYZPMDSA-N 406.439 0.851 30 20 HCED C[C@H](CC(=O)N1CCN(C[C@H]2CCCO2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742482353 HZAYZBMUUXPRAL-HZPDHXFCSA-N 420.535 0.827 30 20 HCED CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)CS(C)(=O)=O 742669903 ROHJRBCAZNKXKO-QWHCGFSZSA-N 415.537 0.785 30 20 HCED CCOC(=O)c1c(C)csc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 743917618 JOEPRNLGTGRMKV-BUHFOSPRSA-N 420.447 0.814 30 20 HCED CC[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](CC)CN1C(C)=O 752347996 PKUYVDJASJVNIT-HUUCEWRRSA-N 406.508 0.973 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)OC)C2)cc1C#N 752406632 ZWOBIOWDQNPGQO-CQSZACIVSA-N 418.406 0.856 30 20 HCED CCn1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c([N+](=O)[O-])n1 758644396 LYUFWPMBXHDIKE-GHMZBOCLSA-N 414.444 0.849 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 763395199 CZWSPYXSZADDLI-JTDSTZFVSA-N 408.524 0.563 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)OC[C@H]2C1 764140971 RVNOXZFQSMGCOM-CQSZACIVSA-N 420.491 0.949 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)C1 766987452 ZUTANSLXTBFDSI-ZDUSSCGKSA-N 415.493 0.433 30 20 HCED CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678195 WPYLDIPSRNXHTO-STQMWFEESA-N 424.479 0.639 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1)[C@@H]1CCCO1 773793473 GRARHUNQDJKCRK-HOTGVXAUSA-N 401.419 0.215 30 20 HCED CC(C)N(CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C 777312375 AQNILMMMXZKYQO-AWEZNQCLSA-N 415.512 0.988 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 783298316 TYHABUBNBBIBJR-CQSZACIVSA-N 411.480 0.211 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 787757896 GDWXFDAOZHPHQS-UHFFFAOYSA-N 406.446 0.925 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 788338007 FFJLJKXTOXUITC-UHFFFAOYSA-N 406.446 0.900 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 799284361 DQZUPSVBGZKHMU-MRXNPFEDSA-N 409.508 0.840 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)C(F)(F)F 804959522 DFCQEDWWAQXTFH-NSHDSACASA-N 408.406 0.487 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2nnc(S)n2C2CC2)c1 810371181 WPBYUXPCGCHQJO-UHFFFAOYSA-N 406.493 0.411 30 20 HCED COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1C 815404350 GBXSBRFURGPYRQ-UHFFFAOYSA-N 415.406 0.485 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)c1 915643011 XCBRGCGJSVAZEJ-UHFFFAOYSA-N 413.521 0.142 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)nc1 915777513 ITTRTTDEAYROMK-UHFFFAOYSA-N 422.445 0.592 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCNS(=O)(=O)c1ccccc1 920516849 KQFSUFLVFNFATG-UHFFFAOYSA-N 423.472 0.358 30 20 HCED CCN1CCN(Cc2ccccc2CNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1141605311 ILFPOFYBGHYGSV-UHFFFAOYSA-N 410.478 0.274 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1190725984 WCIAVXCROVYRTJ-CYBMUJFWSA-N 403.530 0.038 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)CC1 1255676799 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CC(C)(O)CC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442095 ORJFZFHLFGYRCW-DZSVRRGNSA-N 410.515 0.076 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837485018 HBEWXODLVOPUSD-OXJNMPFZSA-N 401.467 0.147 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837660426 XCZQGPPUONGQQA-NRFANRHFSA-N 423.510 0.887 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)s3)CCO2)C1 1838403997 BUFMOTLTNBUGMV-FOIQADDNSA-N 421.519 0.868 30 20 HCED O=C(C/N=C/c1ccco1)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838408969 BWFUASWMLZKBOC-HYARGMPZSA-N 421.494 0.706 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949763 SKDBBKJGGHKWEB-QVKFZJNVSA-N 414.462 0.140 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839040088 RZKZFQWTDALHMR-TZIWHRDSSA-N 417.437 0.093 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1839173577 ZOKFAERAQYLONG-UWJYYQICSA-N 424.494 0.543 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1839174281 QOTZXRKIRCXRSF-HXUWFJFHSA-N 421.450 0.562 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839224473 UPHCKGQACDJJIV-MGPUTAFESA-N 421.450 0.511 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839638240 HQALWLRNDZVJTH-MDZRGWNJSA-N 401.573 0.737 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840168287 FUANEGBITYLJKV-OAQYLSRUSA-N 411.462 0.603 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2)C(F)(F)F 1840421136 JJBSQCNBWMWBFV-XJKSGUPXSA-N 417.388 0.414 30 20 HCED Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813433 ZPOOAQAHPIXZCY-FQEVSTJZSA-N 401.467 0.342 30 20 HCED CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819256 ZTASPUJOMWHNLD-OAQYLSRUSA-N 417.462 0.430 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1SC(=N)NC1=O 1843406935 VFQWLDDDAGPGDA-INHGOHIBSA-N 420.539 0.464 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845228702 GGBSQEAOFLANHC-CVEARBPZSA-N 423.510 0.504 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)Cn2cc(C)c(O)nc2=O)C3)c1 1845523985 UFJDPHDZHYKUNI-UHFFFAOYSA-N 421.457 0.955 30 20 HCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2)NC(=O)OC(C)(C)C 1846933898 SCUJNYXLVYTRBX-AWEZNQCLSA-N 422.530 0.532 30 20 HCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747936 XKAUQKBEDDJCOC-ULQDDVLXSA-N 405.495 0.877 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 14900409 FANRLGZOBSDQJX-UHFFFAOYSA-N 418.519 0.962 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 20796579 CZBCQONABLLEAD-UHFFFAOYSA-N 418.878 0.797 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 32808368 PIMBTFUKKOBHLT-KRWDZBQOSA-N 409.487 0.450 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 46102690 AOGQARCEVODJLZ-OAHLLOKOSA-N 401.510 0.856 30 20 HCED CCN(C(=O)[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCS(=O)(=O)C1 47857471 KCLHFZXOIRKRKO-DOTOQJQBSA-N 405.524 0.499 30 20 HCED CCCNC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 50995686 HPBHLNSVYIGODN-MRXNPFEDSA-N 402.499 0.742 30 20 HCED N#Cc1ccccc1OCCN(CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 60466919 MBPHOFLLHPAAOD-UHFFFAOYSA-N 421.457 0.916 30 20 HCED CC(C)[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C(=O)N(C)Cc1nnc2n1CCC2 410414633 QVXKNEGTQBCCMW-XJKSGUPXSA-N 411.532 0.133 30 20 HCED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 433861562 CMWUAZYFRHEYJC-ZDUSSCGKSA-N 418.313 0.634 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)nn1 441790504 OZJRVXBZNKYHEK-UHFFFAOYSA-N 400.395 0.365 30 20 HCED CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)c2ccc(Cl)cc21 441853484 HHAVUABNKDTRBM-OCCSQVGLSA-N 404.854 0.999 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 443095498 RGSSBEDKOWCVDJ-JTQLQIEISA-N 405.885 0.183 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 447204172 QROWZODCVZZEEN-UHFFFAOYSA-N 414.553 0.335 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCC(=O)N3CCN(C)CC3)CC2)c1C#N 460176121 SVCZZZSULBAXOG-UHFFFAOYSA-N 405.528 0.319 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@]12CCCO2 460661091 IYHPYHPPXLSDRF-JXXFODFXSA-N 410.434 0.920 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCCN1CCCCCC1=O 464862158 HLQCCHIFIOPFCK-KRWDZBQOSA-N 413.526 0.768 30 20 HCED CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 467468443 RYAMYFZMYYZDNS-NSHDSACASA-N 407.456 0.316 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CCO1 467608174 NCCVOMVGWADZPP-HNNXBMFYSA-N 409.402 0.789 30 20 HCED CCOCCOCCN(C)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 470920654 QSMDMANFUAMGNE-UHFFFAOYSA-N 400.439 0.897 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)c1C#N 472759730 MFTHKMYKRQTKOS-UHFFFAOYSA-N 421.461 0.721 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)n1 476425954 AKRNRTKMTMVHQK-UHFFFAOYSA-N 412.494 0.557 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccon2)CC1 482427112 OMKYZJBBKCSVOR-CQSZACIVSA-N 403.464 0.557 30 20 HCED C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccccn1 488914889 SULJCTIGCHWLJD-UHFFFAOYSA-N 413.463 0.481 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc21 490055637 ATHKIAQTRNCVOI-AWEZNQCLSA-N 413.459 0.986 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 490115425 VPBDXSQUCBHSRE-AWEZNQCLSA-N 413.478 0.707 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 491124184 RNRSENAUNBYWLO-UHFFFAOYSA-N 422.507 0.618 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1=O 499985016 BMCXDWULHXPWQV-MRXNPFEDSA-N 408.524 0.903 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 502526176 MNOPPDHYZAHFNG-UHFFFAOYSA-N 418.454 0.468 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1=O 504743388 VXYCRCIPFHDYIJ-UHFFFAOYSA-N 422.463 0.631 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cnc2n(C)c1=O 504969871 DTHRWYQCMASGIQ-UHFFFAOYSA-N 422.420 0.605 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cnn2C)c1=O 505658295 IUYQMFOGWQOTNZ-UHFFFAOYSA-N 415.519 0.160 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508646702 GLUCVYZKABMEHE-IRXDYDNUSA-N 419.507 0.777 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 509205697 NENAEJPZNBJLAF-CZUORRHYSA-N 413.931 0.963 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 509720059 IRSNJANMEGRVFQ-LJQANCHMSA-N 401.511 0.307 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)cc1 509772028 OGTJOZDLWDQCDL-BBRMVZONSA-N 407.492 0.965 30 20 HCED CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O 513947102 SXJNPHOYVWOZBD-DOMZBBRYSA-N 406.464 0.221 30 20 HCED CS(=O)(=O)N1CC[C@H](CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 513964208 DQMRPYNEUXWRTB-OAHLLOKOSA-N 412.537 0.146 30 20 HCED C[C@@H]([C@@H](C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1CCOCC1 514306470 IYRPPECIEMXBHV-CVEARBPZSA-N 417.485 0.571 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2)cn1 515419641 OIFVPCAOTZZGMI-QGZVFWFLSA-N 421.505 0.984 30 20 HCED Cc1ccc(C(=O)N[C@H](C)C(=O)NCc2ccco2)cc1S(=O)(=O)NCC#N 517818274 ZJQDHBSFYNWOAM-CYBMUJFWSA-N 404.448 0.825 30 20 HCED CCc1nc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)no1 538148822 LCLDXLJQBQBQTE-KRWDZBQOSA-N 403.531 0.442 30 20 HCED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543002097 SJLFMEYGZBFJND-CYBMUJFWSA-N 413.413 0.742 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 549643967 AGJLKZJJPQFGCM-AWEZNQCLSA-N 406.516 0.581 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cccc4c3OCO4)C2=O)cc1 551627884 ACYHXXSIXYXODI-KRWDZBQOSA-N 420.425 0.820 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)CC1 552350264 WYPLWYFNOGRBDA-UHFFFAOYSA-N 402.480 0.741 30 20 HCED 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20 HCED CC(C)(C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1)c1ccccc1 444507196 NAVSZGASTFHRIF-UHFFFAOYSA-N 422.489 1.384 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C)(C)S(=O)(=O)CC3)CC2)o1 447379975 CYNZDKKIKDOURY-UHFFFAOYSA-N 409.512 0.402 30 20 HCED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 468067042 AXHMVIYHLWCZMR-GFCCVEGCSA-N 413.356 0.968 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)o1 471217304 YOXJTUATZNJXNW-SJORKVTESA-N 423.539 0.791 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CS(N)(=O)=O)c1 481502223 OKABYLKHUOGSGV-LBPRGKRZSA-N 422.488 0.652 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CC1 482557281 KEJJRHYLDCGBQC-LLVKDONJSA-N 414.512 0.832 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@]2(CCOC2)O1 485045047 QSYXBCHNEJHXMX-JXFKEZNVSA-N 410.434 0.874 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N 487081624 YUMDCTGXZXOZNE-HNNXBMFYSA-N 407.448 0.466 30 20 HCED CN(C)CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487643147 UXKSJSUCEXUZRX-FQEVSTJZSA-N 412.538 0.984 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(C)cnn2C)c1=O 505659253 IONSQNAUKGCNPY-UHFFFAOYSA-N 415.519 0.184 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC#N 507954001 WNKKZEOGCDVTAK-CYBMUJFWSA-N 407.901 0.451 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)n1 508345128 CUUXWQYWYUREKF-UHFFFAOYSA-N 405.365 0.019 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 508729747 JIDVROJNLBYQER-ZDUSSCGKSA-N 416.511 0.638 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 509000725 KGRKVCIDUCOHNY-CQSZACIVSA-N 416.511 0.668 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)NCCN3CCNC(=O)C3)c(C#N)c2N)cc1 512702930 MQVBFAUAMGXBKA-UHFFFAOYSA-N 424.509 0.298 30 20 HCED N#Cc1ccc(N2CCN(C[C@@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)nc1 521343232 YJWAUHUJNJTMDF-GOSISDBHSA-N 406.446 0.953 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC(=O)N2CCOCC2)c1C 539585522 LMWSPNWBSHPKCV-UHFFFAOYSA-N 410.434 0.274 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C1CC1 539940229 YTUQEHAFTJDKTK-UHFFFAOYSA-N 400.416 0.411 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 545893128 PNWSVSLTMOIUDS-MRXNPFEDSA-N 421.461 0.999 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)nc2n(C)c1=O 548835916 YVLLZRCBIKNHMU-UHFFFAOYSA-N 404.430 0.725 30 20 HCED N#Cc1ccc(N2CCC(C(=O)Nc3cnn(CC(=O)NCCO)c3)CC2)c(F)c1 552410510 CXVOWLZKWGAKPP-UHFFFAOYSA-N 414.441 0.857 30 20 HCED C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCCC1 560008442 NPATZLWIRHARPE-APWZRJJASA-N 411.506 0.623 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 562090845 WOTRIPGWOPZIHA-OAHLLOKOSA-N 418.450 0.436 30 20 HCED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 562222946 DDNOTMBMJBDHRH-CGTJXYLNSA-N 404.492 0.600 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 568112607 CJCGUILNLSVOGR-CQSZACIVSA-N 423.495 0.282 30 20 HCED N#Cc1cc(Br)ccc1CN1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 570504140 AKPGGIWZIQTKGD-CVEARBPZSA-N 414.325 0.596 30 20 HCED COc1cc(OC)c(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 573067758 PUGGLLKVQSVLPV-UHFFFAOYSA-N 404.402 1.050 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 579289849 OKHNOJOYOOBOJQ-INIZCTEOSA-N 401.515 0.443 30 20 HCED CC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2ccccc21 580739894 GDEHFZKIGRJOSC-MRXNPFEDSA-N 423.477 0.869 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@@H]1CN(C)CCO1 589138349 BOSLXXNDIVBXPU-KSSFIOAISA-N 419.913 0.696 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)CCOC)cc1)[C@H]1CCS(=O)(=O)C1 623961303 FUQPPWHFCIHZDX-HNNXBMFYSA-N 401.506 0.922 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 669949465 JKNRGZPWEKDQQV-UHFFFAOYSA-N 416.525 0.695 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1 731127712 JPTFSVSDEPUCML-HNNXBMFYSA-N 412.398 0.922 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(=O)N(C)C 731203662 OVGHWMKCZIKGGG-UHFFFAOYSA-N 424.526 0.420 30 20 HCED O=C(CNC(=O)NCc1ccc(Cl)cc1)NCCN/C(O)=C1\N=CC=CC1=O 732154779 UUDSEILETKIIPL-WUKNDPDISA-N 405.842 0.782 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)CC)ccc2F)CC1 741140808 QKXBFFXFHVVRQE-UHFFFAOYSA-N 409.483 0.517 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nc(CC)n(-c3ccccc3F)n2)CC1 741688683 YZVOPDCUBNVZQC-UHFFFAOYSA-N 412.469 0.866 30 20 HCED Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 743543078 FKHDIPILRNLIGM-UHFFFAOYSA-N 418.435 0.505 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743734197 FCNWPHCEZMLZJX-UHFFFAOYSA-N 401.467 0.490 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCCOCC 753444215 UTUFHUJKUMJTHI-NRFANRHFSA-N 415.446 0.847 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)C1 757604053 KTOQEDJYGZJBMH-IINYFYTJSA-N 412.443 0.962 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 758663028 SFBUVQDOUVEDKA-KKUMJFAQSA-N 410.471 0.967 30 20 HCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1cnc(O)n(C)c1=O 761805645 JHIMEPRPSQTRTE-FSIBCCDJSA-N 412.855 0.900 30 20 HCED C[C@@H](O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 763004771 YJOAWNYTNLXVGB-XSBGSACPSA-N 406.468 0.783 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 767681968 ULUGKDSOFJMTDO-PXAZEXFGSA-N 412.427 0.867 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769647897 USTHYPYJBXEIBC-UHFFFAOYSA-N 409.515 0.379 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 783358140 LXSQRJIHMXWNAZ-KRWDZBQOSA-N 409.446 0.678 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 783358638 PBHPAZZZFLJKQK-GOEBONIOSA-N 424.461 0.957 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 787761181 XTTHVKIWEWQUHY-KRWDZBQOSA-N 424.436 0.538 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(C)(C)S(=O)(=O)C3CC3)CC2)o1 792631187 PXSMGSJBUCQRKE-UHFFFAOYSA-N 424.479 0.402 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 799286533 IGMCZINNVSIGBY-CYBMUJFWSA-N 416.883 0.592 30 20 HCED COCCCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1 799483977 ZQHPIPRIJLJELD-UHFFFAOYSA-N 412.443 0.332 30 20 HCED COCCN1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 801618554 XVWPSEIXWGTQFH-CAPFRKAQSA-N 423.495 0.779 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)nc1 807101238 JRJWSTCIWKSENG-INIZCTEOSA-N 400.483 0.098 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1)[C@@H]1CCCO1 809305518 FCOGMONDSVQVBE-UXHICEINSA-N 415.490 0.515 30 20 HCED C#CC[C@@]1(C(=O)NCCOCCS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809693578 YAKDXKHLNPBJDV-SFHVURJKSA-N 402.513 0.957 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 812711809 BVZSJNJBGUUKPV-HNNXBMFYSA-N 418.431 0.790 30 20 HCED C#Cc1ccccc1CC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 813447984 ONNMZNIRZMWSPG-FQEVSTJZSA-N 404.532 0.948 30 20 HCED COCCNC(=O)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 843486771 JXKXNPDYSIHCPC-AWEZNQCLSA-N 410.496 0.019 30 20 HCED CCN1CCN(CC(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)C(=O)C1=O 916939086 DYCUPMDFRYEVEH-LBPRGKRZSA-N 406.826 0.687 30 20 HCED NC(=O)[C@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 921056463 ZYHPYNGWVDBDNR-HNNXBMFYSA-N 400.460 0.328 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cn1C 1302585979 WQRRFKNWJQFZBD-UHFFFAOYSA-N 420.470 0.366 30 20 HCED CC(C)(C#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1325151899 YDMBNJQJRWMHOC-CQSZACIVSA-N 401.510 0.434 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](c4nn[nH]n4)C3)CC2=O)cc1Cl 1443452929 QXOMZAPAMOCTAZ-BXUZGUMPSA-N 401.814 0.678 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1555995630 JRIKNKGVGTUFCN-HUUCEWRRSA-N 406.512 0.794 30 20 HCED N#CC1(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1558776075 OHPGOYUFAFKVCW-UHFFFAOYSA-N 409.464 0.563 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[C@@](O)(CC#N)C3)CC2)cc1 1559942186 OFSPSXFDGLDCOH-XLIONFOSSA-N 420.535 0.567 30 20 HCED COCCN1C[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1749865096 TZMYNZCTUIZYTN-CLCXKQKWSA-N 406.462 0.719 30 20 HCED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N 1760688024 ZAEWOGNRFNSUNT-AWEZNQCLSA-N 411.532 0.438 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1778966799 GHVNMQJVVDSMNC-FOIQADDNSA-N 405.451 0.102 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137869 KRLCHSNGGQKTTL-FLPAMXLZSA-N 421.450 0.144 30 20 HCED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)nn1 1779897456 FTWRMNUVRRBQFJ-YUSOBQLHSA-N 413.434 0.641 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c1Cl 1780193328 SFGALFQTEMRJME-SFHVURJKSA-N 405.842 0.323 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017260 FJNVWRWDCYFDMA-LUQKVYGDSA-N 415.446 0.451 30 20 HCED O=C1C[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)CN1 1783154926 FOTDMCBROPEABN-KKSFZXQISA-N 415.877 0.658 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(Cl)cncc1Cl)CCO2 1783554470 ARCSIEYUFZKPOD-QGZVFWFLSA-N 412.229 0.920 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)[C@H]1SC(=N)NC1=O 1783681623 CQTVLQCNUGFYDP-HTVCTNPSSA-N 421.523 0.318 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 1784501048 DBSSLFLZKUTMAA-AESZEHBQSA-N 406.483 0.613 30 20 HCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cccn1 1784518508 DCCABMSETUUXBY-YKBPCDFTSA-N 402.499 0.746 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1785014724 HVVIYHDGGYVWJK-HJWJTTGWSA-N 424.592 0.912 30 20 HCED CCOCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1786504251 QIPMFNJKHAQGAM-LNLFQRSKSA-N 401.463 0.953 30 20 HCED Cn1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc2ccccc21 1787792253 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C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502316454 UTMLRVNMLBBUIS-IAGOWNOFSA-N 412.556 0.844 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 509009999 GMPLMEYHPPXYFM-DLBZAZTESA-N 406.531 0.631 30 20 HCED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 511908145 VJAQJBWNEIYMSL-UHFFFAOYSA-N 417.850 0.135 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1 514523171 UIFIZGIKOVVGFC-HNNXBMFYSA-N 420.494 0.948 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(CC)n2)c1=O 516828809 KQQUIBUDADTFAA-UHFFFAOYSA-N 418.544 0.770 30 20 HCED Cc1nsc(N2CCN(C(=O)NC3CCN(CC(=O)N(C)C)CC3)CC2)c1C#N 516860218 RGMPZFLWZXHAMS-UHFFFAOYSA-N 419.555 0.707 30 20 HCED CCOCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C 521674166 ADGSTGICGJHLSJ-INIZCTEOSA-N 408.524 0.748 30 20 HCED CN(CC(=O)N1CSC[C@@H]1C(=O)NCC1CC1)S(=O)(=O)c1ccc(C#N)cc1 522161217 MCQFEQAJEGILMI-MRXNPFEDSA-N 422.532 0.606 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)CCO1 523073156 XZIPGAYWOWYGSO-LBPRGKRZSA-N 412.855 0.569 30 20 HCED CCO[C@@H]1C[C@H](O)C12CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 532582146 KKUJSEBOCLCPEJ-ZWKOTPCHSA-N 417.510 0.755 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2C)CC1 534196595 BKVCCNIYRCFPAB-UHFFFAOYSA-N 424.505 0.874 30 20 HCED CO[C@@H]1CC[C@H]2OCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 535858951 FEHZFWQPUYHEJZ-BPQIPLTHSA-N 407.492 0.974 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(NS(C)(=O)=O)c2)n1 538075378 WXJLPFMDYGGHEH-UHFFFAOYSA-N 404.452 0.962 30 20 HCED COc1ccc(C(=O)[C@H](C#N)c2ccncn2)cc1S(=O)(=O)N1CCOCC1 546152498 CIDSVAPGINGMQF-CQSZACIVSA-N 402.432 0.996 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccccc2OC)N(C)C)C1=O 549987486 OBMJYDZBULYCDK-IAGOWNOFSA-N 402.495 0.659 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2 550338696 IFNSSEDOTSETSE-HXUWFJFHSA-N 418.501 0.975 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 555939318 LVTXEUJRGBFBFA-GFCCVEGCSA-N 400.482 0.163 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)ccc1Br 556010277 QXHOSXZCZPTPEL-UHFFFAOYSA-N 400.254 0.906 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 559588996 JJQJFXIICFJPFG-UHFFFAOYSA-N 400.460 0.611 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)ccc1Br 559720068 XFBPDVRWOQENQW-NSHDSACASA-N 416.253 0.189 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3c[nH]c4ncccc34)CC2)c1C#N 569280005 AOJCHXXMXYDOAE-UHFFFAOYSA-N 420.477 0.484 30 20 HCED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 569974080 DPRVMWDYIXSYCH-CQSZACIVSA-N 411.466 0.381 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)CC2)nc1 572443502 NYJTTZVHPCCTST-OXJNMPFZSA-N 415.519 0.773 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2cnccc2C#N)CC1 583669559 OFBBDZAGJJRULZ-SFHVURJKSA-N 413.526 0.728 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1 589461677 XCMYLCRUVZUJEH-YJBOKZPZSA-N 416.503 0.838 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 604019572 JRHRXCQRESQMSN-UHFFFAOYSA-N 406.508 0.806 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCN(CC#N)CC3)CC2)cc1 609328757 NSTRSOXFOYVTKD-UHFFFAOYSA-N 419.551 0.406 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)cn1 609815913 FGCDVDJNBHXWHV-PKOBYXMFSA-N 407.478 0.945 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)c1 683367196 QMQRLUNGWHANBS-UHFFFAOYSA-N 421.479 0.167 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cn1 725824454 TURWEZLNFVAZIL-UHFFFAOYSA-N 417.472 0.409 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003395 NCIPVIGELFERNP-IAGOWNOFSA-N 415.446 0.306 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 726312821 QOAQLEIPLCQNNW-QGZVFWFLSA-N 401.467 0.586 30 20 HCED C[C@@H](CN1CCN(C)CC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 730228821 XPPPGOMHUGYMJB-HNNXBMFYSA-N 407.540 0.257 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCC1=O 733778376 VZYIDROMHWWSJF-CQSZACIVSA-N 420.491 0.405 30 20 HCED N#Cc1ccc([C@H](OC(=O)CCOc2ccc(S(N)(=O)=O)cc2)C(N)=O)cc1 734585170 CKCWXDFIMXUCEJ-KRWDZBQOSA-N 403.416 0.744 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 742334712 RRPSMWJVWHADLD-UHFFFAOYSA-N 414.440 0.522 30 20 HCED Cn1cc(N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2=O)cn1 749978830 ZIIRFAWZPDBOKZ-HXUWFJFHSA-N 407.434 0.365 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 754772794 KOVUMWWLJSMBHH-UHFFFAOYSA-N 414.197 0.931 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@H](C#N)C1 758639536 FQWGCLZLZUUJRR-IUODEOHRSA-N 419.467 0.700 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 759024452 ACCIPLGNJXEZDP-UHFFFAOYSA-N 404.434 0.954 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 761030329 GHANQDCFFRMCMW-CQSZACIVSA-N 409.468 0.315 30 20 HCED NC(=O)CNC(=S)NN=C1CCOc2c1cc(Br)cc2[N+](=O)[O-] 761811280 YKWJGCFWKOBCIJ-UHFFFAOYSA-N 402.230 0.793 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1 764029919 LPIKVOOSHAVYHU-MRXNPFEDSA-N 400.457 0.151 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O 767680574 MNJGSFNDQVQHKO-ZWNOBZJWSA-N 419.381 0.931 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC)c2=O)cn1 772275361 KLTLMSZSLWJMTL-UHFFFAOYSA-N 401.517 0.305 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@](O)(c2ccc(F)cc2)C1)c1cc[nH]n1 772530284 IATWRXUFYKINAM-IBGZPJMESA-N 404.398 0.953 30 20 HCED C#C[C@H](NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N)[C@H]1CCCO1 775786032 UXYBKFHJGPAFDW-JKSUJKDBSA-N 419.526 0.947 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 775797246 CANCHKGKJJTGKM-MOPGFXCFSA-N 421.519 0.299 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)OCCn1ncc(C#N)c1N 777309621 CLLCTKQIOHGHFN-AWEZNQCLSA-N 420.470 0.786 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780048366 PYOZEDMMHSLQGK-CYBMUJFWSA-N 408.480 0.846 30 20 HCED C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 780205920 PNFAOUAYWSOVNF-BZNIZROVSA-N 403.416 0.809 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 780475934 NILPHPPEXZSIGT-UHFFFAOYSA-N 412.493 0.577 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 783245049 QIGZCECYBSNNKC-UHFFFAOYSA-N 407.430 0.480 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786355528 LQJNVYAAWVYDTJ-RGCFKVTRSA-N 411.414 0.270 30 20 HCED N#CCCn1cc(CNCCS(=O)(=O)N2CCOCC2)c(-c2ccncc2)n1 788511028 BEQKSDZPWYLHAJ-UHFFFAOYSA-N 404.496 0.610 30 20 HCED Cn1c(N)c(C(=O)COC(=O)c2cc(-c3cccc(C#N)c3)no2)c(=O)n(C)c1=O 789124329 NVIMXRJSYPXOQD-UHFFFAOYSA-N 409.358 0.233 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1)[C@H]1CCCO1 789744924 VBGOJCBRHPLXCD-GDBMZVCRSA-N 412.450 0.582 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 799284183 ZMNBXJPPFBDLKL-IRXDYDNUSA-N 402.451 0.816 30 20 HCED N#Cc1ccncc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 805717958 DAQDOLTYWNBOTA-CABCVRRESA-N 407.448 0.305 30 20 HCED COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 808029029 PDVKUHHSBSKUJN-DZGCQCFKSA-N 402.455 0.464 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)ccc1C#N 810453529 ZEWVWXUHSZDFGZ-UHFFFAOYSA-N 407.430 0.758 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 810781742 CGBTZBVXYSHROB-UHFFFAOYSA-N 408.548 0.569 30 20 HCED CON(C)C(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 812710431 RPWXSOPHWCZSLM-UHFFFAOYSA-N 408.480 0.751 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCCC 814250258 KGBWKOCELCXCDU-UHFFFAOYSA-N 421.473 0.977 30 20 HCED Cn1ncc(I)c1C(=O)N=C1NS(=O)(=O)c2ccccc21 1117721266 IIRMCYFEHPMAOP-UHFFFAOYSA-N 416.200 0.904 30 20 HCED CCN1CCN(C(=O)c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1136483634 WBZHCSBLVZNUGT-UHFFFAOYSA-N 424.461 0.627 30 20 HCED C=CCNC(=O)Cc1noc(Cn2cnc3c(c(Br)nn3C)c2=O)n1 1255950319 LZNQNBIPNFGVEL-UHFFFAOYSA-N 408.216 0.169 30 20 HCED C#CCOCCN(C)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1323093332 GGTDXGZZXGWPRN-SFHVURJKSA-N 407.536 0.798 30 20 HCED COCCS(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1343689494 ZWYANDARJLYOMG-HNENSFHCSA-N 421.475 0.639 30 20 HCED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N)OC 1513487038 SNPNXLKGOPCJPZ-RRFJBIMHSA-N 414.532 0.632 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)CCO1 1521122715 XMRWIARPTUYWHD-CQSZACIVSA-N 413.438 0.196 30 20 HCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1540979892 PKGUMULLZRRPHK-UHFFFAOYSA-N 402.480 0.530 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1541805847 YTYPFMNZNJXHHI-KBXCAEBGSA-N 404.496 0.552 30 20 HCED CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1554509252 VGQGZPSTWSGUOL-GOSISDBHSA-N 403.512 0.943 30 20 HCED 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C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778950080 GVFOIMGGZKDZHT-OXJNMPFZSA-N 410.515 0.507 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1778970866 FTSGZZDDLHQKEQ-IERDGZPVSA-N 418.494 0.682 30 20 HCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064531 CJQMMEJFDRYRCQ-PBBNMVCDSA-N 424.563 0.674 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107146 SXHHJYYEISRQNZ-FMZDEXJNSA-N 409.483 0.961 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779315672 PLPNECAOFBOHKJ-NQIIRXRSSA-N 414.462 0.153 30 20 HCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2)N1CCN(C)CC1 1780636900 QLDSWGPNXGVRAA-NJNPRVFISA-N 419.570 0.686 30 20 HCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691401 CIXFCHNEBHDUNO-IBGZPJMESA-N 405.476 0.436 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1781396518 ZMMYRYDJFBLFLJ-DNVCBOLYSA-N 410.471 0.460 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20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1839224465 UFDYALXHIAAZHC-DNVCBOLYSA-N 407.471 0.291 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839224599 VRZOFZPWHGARDL-DNVCBOLYSA-N 407.471 0.291 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839843360 ZNWXBOBVQIJFBV-IIBYNOLFSA-N 403.479 0.668 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1)C(F)(F)F 1839891148 NZIRLQRUHLRCAO-GUYCJALGSA-N 419.400 0.088 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840842761 ZMYGCJVLGJSUKF-NRFANRHFSA-N 400.479 0.703 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000116 PFFCJMHPOMAAPA-UHFFFAOYSA-N 405.411 0.504 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)no1 1844309273 OVDIRSCHBCPZIX-WSDLNYQXSA-N 416.482 0.388 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315059 CCFVPQQAENRCPC-PPAWOMOGSA-N 420.466 0.745 30 20 HCED CCOC(=O)c1c(CCC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c[nH]c1C 1846194488 JOATVXVVTZTXPV-UHFFFAOYSA-N 415.446 0.724 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 52716451 MVVCVKLLQIVSTD-AWEZNQCLSA-N 412.512 0.498 30 20 HCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 146235321 CYJZLFXZBPBABW-UHFFFAOYSA-N 407.430 0.956 30 20 HCED CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)no1 409483471 ILCNWSDQNKPJMI-AWEZNQCLSA-N 412.516 0.344 30 20 HCED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1=O 410311140 SOPGNJCWIVWRKV-MRXNPFEDSA-N 409.508 0.797 30 20 HCED CCc1nc(CN(C(C)=O)[C@@H]2CCN(S(=O)(=O)c3cccnc3C#N)C2)no1 428412925 NNZXNOFGBFYZCH-CYBMUJFWSA-N 404.452 0.710 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)C2)n1 435908272 NPMNBVOYEMCFPM-MRXNPFEDSA-N 422.493 0.905 30 20 HCED C[C@@H](CO)N1CCCN(c2ccc(C#N)c(N3CCCN([C@H](C)CO)CC3)n2)CC1 436349961 FFLWISCBPFOGDQ-RBUKOAKNSA-N 416.570 0.739 30 20 HCED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc3c(c2)OCO3)c1C#N 438241957 TZMYQEQEGOGLOT-UHFFFAOYSA-N 405.436 0.890 30 20 HCED CCOC(=O)CNC(=O)C1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 441063153 JJDMPYJBUXGTIG-UHFFFAOYSA-N 407.492 0.723 30 20 HCED N#Cc1cc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)ccc1OC(F)(F)F 442202999 RGLGSASWSZIEIW-UHFFFAOYSA-N 424.343 0.820 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1 442294714 RETCRXUYVFFPHY-LSDHHAIUSA-N 408.524 0.983 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460574632 LAZKIBOGVBRKBA-HIFRSBDPSA-N 409.450 0.841 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](CCC(N)=O)C1 460607120 DSSDIBQMVLHTJQ-AWEZNQCLSA-N 409.450 0.890 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 463208609 XWTHDHTUVYMGGX-UNNPPQAFSA-N 408.458 0.558 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 463487902 BUAQZKHZAFJABE-HNBVOPMISA-N 410.474 0.611 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 465125182 APVBBEVRTDYDEP-CQSZACIVSA-N 411.466 0.640 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc(SCC#N)c1)C2 467045190 JNKGORNJVNVKPD-UHFFFAOYSA-N 400.464 0.405 30 20 HCED C=CCOCCCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 470787949 CJWREKWFZVKQPE-UHFFFAOYSA-N 403.526 0.233 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 482381086 PYYRQMWTRNTKIL-WBVHZDCISA-N 406.508 0.406 30 20 HCED N#Cc1ccc(Br)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 492517709 YOJJXJHHBAGNGA-CVEARBPZSA-N 414.325 0.908 30 20 HCED C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(C#N)cn2)CC1 497495469 QZIFAFUXYIDNRO-KRWDZBQOSA-N 406.494 0.603 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccn4ccnc4c3)CC2)c1C#N 500274654 BLQHSJFYIRGJIF-UHFFFAOYSA-N 406.450 0.213 30 20 HCED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 503297667 YHOBSUJUIUAAHB-UHFFFAOYSA-N 407.386 0.957 30 20 HCED CNC(=O)Cn1nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1C 503897571 NPPPSTLHSOQQTM-LBPRGKRZSA-N 404.452 0.115 30 20 HCED CN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 504655487 RSGREDBYKCJZNH-CYBMUJFWSA-N 407.901 0.404 30 20 HCED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 508819537 ZITGXBMYWQZLBM-UHFFFAOYSA-N 409.494 0.887 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(CC#N)CC2)c1 509362604 XMHIZZBNJBKDIW-UHFFFAOYSA-N 400.526 0.547 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)CC1 512467847 GKIQVFOMYKTPJM-ROUUACIJSA-N 407.584 0.719 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)C2=O)cn1 522763925 YRCGQIRYYXURCQ-KRWDZBQOSA-N 410.434 0.963 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 525832439 PISIRBLETMALOM-UHFFFAOYSA-N 422.869 0.215 30 20 HCED COc1ccc(C(=O)NCCN2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 533062473 JYCPOKPDIWFFKT-QFIPXVFZSA-N 413.522 0.851 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 533770872 ZMWIKIUXZVHAGK-PBHICJAKSA-N 424.523 0.519 30 20 HCED CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 535350400 PXHBFMXOZGWLHV-WMLDXEAASA-N 422.507 0.984 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 536969010 PMPKQRRSNJNAKV-OAHLLOKOSA-N 403.487 0.333 30 20 HCED CCNC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537172949 PAOFMMYPIMZODP-MRXNPFEDSA-N 404.540 0.804 30 20 HCED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 538101737 BDDHMBJGGIPJLN-CYBMUJFWSA-N 410.500 0.377 30 20 HCED CN(C)CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 542462312 XEURAOIAAIVIQY-UHFFFAOYSA-N 408.524 0.653 30 20 HCED C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(C#N)cc1 550591485 CJJKUZWMIBKCTC-VDMKFOLZSA-N 406.442 0.659 30 20 HCED N#Cc1cccc(C2(NCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)c1 551712771 JFSPILMQFHCRMG-GOSISDBHSA-N 402.520 0.468 30 20 HCED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)CC1=O 553353820 IDFFGNQPHGMKEH-RBUKOAKNSA-N 410.522 0.935 30 20 HCED C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H](C)N1CCOCC1 553618239 OGWMJHOTJGUAAO-ZWKOTPCHSA-N 415.538 0.674 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)C1=O 557175749 BJXCXSCEATVXQO-PMACEKPBSA-N 412.534 0.913 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 557767888 CDKBAMADGNLANG-MRXNPFEDSA-N 419.913 0.697 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)[C@@H]3COc4ccccc43)CC2)c1C#N 558391119 IQESVLNUHUWJEI-KDOFPFPSSA-N 422.489 0.930 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)n1 558520708 SIBCRTYSESFMES-NSHDSACASA-N 421.339 0.357 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 562420276 CRQLMWVOHSGUFE-UHFFFAOYSA-N 410.482 0.836 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 563342396 YHGBTMRYCOPQNN-INIZCTEOSA-N 401.467 0.132 30 20 HCED CNCCCc1[nH]nc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1C#N 564818949 QPIXXJQDLCCEHT-UHFFFAOYSA-N 413.438 1.430 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 588291121 AMUDRDGGRVMDDK-JSGCOSHPSA-N 414.509 0.918 30 20 HCED N#Cc1cc(N2CC[C@@H](CC(N)=O)C2)cc(N2CC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] 588855942 UWNSRKDOLLWAOD-STQMWFEESA-N 400.439 0.870 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3C[C@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)C2=O)cc1 588867103 XCICWVXYZUUNMT-RHQZKXFESA-N 408.458 0.806 30 20 HCED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)n1 589258544 KHOWYQZURZUDLE-UHFFFAOYSA-N 412.431 0.682 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(NC(C)=O)c1 603495329 DCCBQTPXGCUBQE-UHFFFAOYSA-N 419.466 0.501 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(N(C)CCCO)CC2)cc1 604681807 ISWDDUBSOWGXIC-UHFFFAOYSA-N 402.495 0.846 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 609472520 DLVSXIXRWKHIHQ-UHFFFAOYSA-N 408.480 0.731 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O 612231336 JYBCCNGRGIFHCI-UHFFFAOYSA-N 424.479 0.016 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 619491915 DRNVEROYHKZAEF-UHFFFAOYSA-N 401.510 0.425 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 726319348 GXVYDHVIXXFGFW-CQSZACIVSA-N 420.470 0.935 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 728532243 PYMTZCZDBNRMIW-UHFFFAOYSA-N 422.489 0.419 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)COc2cccc(NC(=O)C3CC3)c2)CC1 729256988 PRRSIKBXNAJHTN-UHFFFAOYSA-N 412.490 0.698 30 20 HCED Cc1cc(C)n(-c2ccc(CC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)n1 732911172 XNOSCTPWULUOAY-GOSISDBHSA-N 414.487 0.998 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1 736231121 JZAPSRPEZKHPJJ-INIZCTEOSA-N 405.520 0.829 30 20 HCED C[C@@H](CC(=O)N1CCN(C(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742483883 WDKGCBCEATXCAW-ZDUSSCGKSA-N 404.492 0.585 30 20 HCED C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCC2 742573408 LXCXGCIVHMATNM-NEPJUHHUSA-N 402.480 0.919 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 743194824 PXEXUBXXXLVDHT-UHFFFAOYSA-N 416.409 0.663 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCOC 743725442 SOZNPBAXDLGKRI-UHFFFAOYSA-N 406.533 0.741 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(NC(C)=O)ccc2OC)CC1 747277774 JTTDUVPGGXIHKS-UHFFFAOYSA-N 422.507 0.099 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)Cn2cnnn2)cc1 749277550 FDGOCDZKSZAZML-UHFFFAOYSA-N 405.374 0.979 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 752163531 ZUEIQSHUQKHKPR-DYVFJYSZSA-N 403.435 0.918 30 20 HCED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)N(CCC)CCC)CC2)nc1 752983838 ODFLEYSEPXITRC-UHFFFAOYSA-N 407.540 0.933 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)cc(F)c2)c1=O 758051887 ZBDVYJVYTGIIMS-UHFFFAOYSA-N 403.410 0.087 30 20 HCED CNCCCc1[nH]nc(NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)c1C#N 760310252 XXPMXCIBBWFLES-UHFFFAOYSA-N 406.468 0.868 30 20 HCED C#CCOc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763050808 VOROOUAVAXQQOS-AWEZNQCLSA-N 415.471 0.781 30 20 HCED C#CCNC(=O)CN1CCCN(c2ncnc3ccc(S(C)(=O)=O)cc23)CC1 764832541 ZECWKXONVPZOFT-UHFFFAOYSA-N 401.492 0.295 30 20 HCED Cc1cc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)nn1CCC#N 767932813 CHNDDOMMPCVLKU-UHFFFAOYSA-N 419.243 0.950 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(c2nnc(S)n2C)CC1)c1cc[nH]n1 772231703 SVCHUTZTMAPCPF-UHFFFAOYSA-N 421.483 0.517 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)[C@@H]1CCCO1 773784592 BQGGXLQNIMDTLP-HOTGVXAUSA-N 422.459 0.502 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2nnn(C)n2)C1=O 782961131 IOZYHNRGJFHDHY-CYBMUJFWSA-N 416.467 0.436 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 783348025 VGORPVAMKVMTKP-ZIAGYGMSSA-N 410.496 0.351 30 20 HCED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(N)=O 784760579 WRWOCBFKVLGEOK-YZLQOSHFSA-N 423.495 0.064 30 20 HCED NC(=O)C1=NO[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 787933136 XFCRRENPYFJTEY-GFCCVEGCSA-N 421.479 0.032 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NOC[C@@H]2CCOC2)cc1 788352090 YDSZOTKHKDANPY-QIAIEURZSA-N 424.479 0.522 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)n1 789787447 JZKHDLNFRSQSGP-UHFFFAOYSA-N 407.434 0.711 30 20 HCED COC(=O)C1CCN(S(=O)(=O)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 798818847 AIQQFHRDEWCWAI-UHFFFAOYSA-N 417.447 0.604 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)CC1 804894543 INFUESUZYVCWSL-GOSISDBHSA-N 403.527 0.849 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 820781787 JNBVAQNLBWMEJE-UHFFFAOYSA-N 414.553 0.287 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1=O 914532333 GDUFEAOPVPIMRN-KDOFPFPSSA-N 416.544 0.808 30 20 HCED COc1cc(C=NNC(=S)NCCN2CCOCC2)cc(OC)c1OC(C)=O 915925332 KCTVELULCVCWJZ-UHFFFAOYSA-N 410.496 0.759 30 20 HCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NS(=O)(=O)c1ccccc1C#N)C2=O 1115857062 CTENTQIDDRFCOQ-KZULUSFZSA-N 404.448 0.864 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCn3c(CO)nnc3C2)CC1 1191970201 VCJOGFKFARTYIE-QGZVFWFLSA-N 413.457 0.134 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)cn1 1193741683 ORBMVHVSHNSUSQ-UHFFFAOYSA-N 404.517 0.996 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)CC2)nc1 1251759131 IVTQUGVJKCANRD-UHFFFAOYSA-N 414.510 0.666 30 20 HCED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1255013551 NENUPQLSJUXDMW-CQSZACIVSA-N 413.496 0.921 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1287475729 YXABNNQHXJUXBK-MRXNPFEDSA-N 409.560 0.545 30 20 HCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)[C@@H](C)C1 1301721202 GSNZORZLRRFNCZ-KSFYIVLOSA-N 423.521 0.940 30 20 HCED CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NS(=O)(=O)CC(C)(C)C#N 1323472210 OIYWWBOEJFASIO-LBPRGKRZSA-N 416.525 0.975 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CSc1ccc(S(N)(=O)=O)cc1 1542438753 UNLNZCJHBVMVHM-UHFFFAOYSA-N 412.537 0.501 30 20 HCED COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C#N 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C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccco1)CCO2 1833916206 CJASCFWYZAZRCJ-PRPIBZDOSA-N 403.435 0.208 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C)n3)CCO2)C1 1834046419 NZPNGCSLXUPZQX-UWJYYQICSA-N 401.463 0.498 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1C 1834121042 RWQQRMAFEILIGG-HXUWFJFHSA-N 412.450 0.312 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834601071 PLQRYSSIQCTANO-HNNXBMFYSA-N 401.511 0.552 30 20 HCED CC(C)(C)c1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834760327 JSWVKXTXNVCHLF-FQEVSTJZSA-N 401.467 0.758 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN(C)C)CCO3)C2)c1 1834946359 VACOODAPSBIFOG-HTAPYJJXSA-N 414.506 0.945 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1 1835098367 IUOAIPBRWUCJRM-HSZRJFAPSA-N 422.485 0.700 30 20 HCED Cc1cc2nnc(C(=O)NC3CCN(C4CCN(C(=O)CC#N)CC4)CC3)c(C)n2n1 1835337184 CQUKSXTXVYGKNY-UHFFFAOYSA-N 424.509 0.840 30 20 HCED C[C@@H](CN)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732250 JXGFTEKWIDVZCG-CSUZIONRSA-N 406.575 0.625 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836044462 YKANIZXHNTZEKZ-KXBFYZLASA-N 424.523 0.943 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836131428 ZDWGMKDNCRXVRB-IIBYNOLFSA-N 419.478 0.678 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836312401 VFOGIQLFJNDAAL-YWZLYKJASA-N 405.426 0.329 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)CC)CC2)CC1 1836816264 OXKALGQHRNOGQL-IRXDYDNUSA-N 421.538 0.938 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1837393672 YQYJHPYEUNIETG-KKSFZXQISA-N 418.494 0.049 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837632300 NEYJOUDQJCUFFV-HRAATJIYSA-N 416.478 0.689 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838434587 BCOQTFTVLFZRAT-LJQANCHMSA-N 407.511 0.550 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795847 RMVGVKZRFONATL-OAQYLSRUSA-N 411.462 0.913 30 20 HCED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)CCCN1 1838952977 NVFJQBYUHYVMCL-YADHBBJMSA-N 412.490 0.770 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(OC)cc3C)C2)C1 1839809536 VTYLXEJEPDWIPK-OAQYLSRUSA-N 402.447 0.715 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839889654 HPCWRTGMCAMLKF-KRWDZBQOSA-N 412.393 0.051 30 20 HCED CC(C)(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c[nH]1 1840041247 ZZHLZBFUWAOCOG-NRFANRHFSA-N 417.462 0.470 30 20 HCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1840695069 AJEJQRMARHDYIU-HXUWFJFHSA-N 420.849 0.806 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815043 TZJJHXMWXSAZJM-OXQOHEQNSA-N 406.483 0.938 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1840841896 BHEPXWADMMJZMT-HXUWFJFHSA-N 404.467 0.013 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)c1 1841260388 KJTQTNQUTTUBMX-UHFFFAOYSA-N 418.457 0.897 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1841618305 RDFQOAKRCHBNIS-QNVQTRSSSA-N 415.512 0.400 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)nc1 1842255637 YRMNGJLKDXOCIR-UHFFFAOYSA-N 413.459 0.816 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CCN4CCOCC4)C3)c2c1 1842840870 ZMNXZWWJRUMRFH-UHFFFAOYSA-N 422.489 0.974 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H](NC)C(=O)O)C2)c(O)n1 1842949205 IHRPWHRSFWKSKR-MRXNPFEDSA-N 416.478 0.786 30 20 HCED O=C(NCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)c1cccnc1 1844258418 ZIRGPNQUOFXGTI-ZVHZXABRSA-N 412.494 0.487 30 20 HCED O=C(/C=C\C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)NC1CC1 1844301039 PCPFHBIJPAANKV-IFALLWIVSA-N 404.467 0.554 30 20 HCED COCCOCCOCCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1846248852 XPRNKVHUANJQBX-CJLVFECKSA-N 424.542 0.731 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c1 1846826540 MYSLQMSNRZNLLT-AWEZNQCLSA-N 409.446 0.682 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1847806863 YHTOGGJOFROLCW-QZWWFDLISA-N 423.510 0.502 30 20 HCED C#CCNC(=O)[C@H](C)Sc1nnc([C@H](CC)N(C)C)n1CCN1CCOCC1 29483778 QJBATOVUFGMURO-HOTGVXAUSA-N 408.572 0.853 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 409501363 MIFPMEYDNVRFPK-AWEZNQCLSA-N 400.505 0.765 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C)c1=O 436345394 YSGKXXIROPAZNJ-JKSUJKDBSA-N 406.446 0.732 30 20 HCED N#Cc1c(Br)cccc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 439581644 OWUVGFLVKYFFSO-UHFFFAOYSA-N 407.268 0.828 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 441451418 NFKRTMDLPHCVOC-KRWDZBQOSA-N 416.478 0.541 30 20 HCED CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)c2ccc(Cl)cc21 441853480 HHAVUABNKDTRBM-GXTWGEPZSA-N 404.854 0.999 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 445101845 CHXOZQQRYOMXPP-HUUCEWRRSA-N 417.495 1.429 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)o[nH]1 462295750 ZDNVDOHDOHYRNY-UHFFFAOYSA-N 408.415 0.401 30 20 HCED CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 463424631 CAZCYIUCCRSKLI-UHFFFAOYSA-N 403.448 0.908 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)C1=O 467519637 FJWMJLCKTFAOFO-LBPRGKRZSA-N 405.432 0.525 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCN1CCC[C@@H]1CO 476418792 LIIRIJJONHODIG-DOTOQJQBSA-N 408.524 0.578 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCN1CCC[C@H]1CO 476418795 LIIRIJJONHODIG-WBVHZDCISA-N 408.524 0.578 30 20 HCED COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 480350264 BXVKQBBTJGFDEF-IKGGRYGDSA-N 405.476 0.920 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 489005254 DAQXNOWZFQBNCV-HOTGVXAUSA-N 411.483 0.592 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 498985583 PMZSETVZZXWXFL-NZSAHSFTSA-N 420.535 0.097 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 499706422 ZKZHHEJVQWBBIN-SCLBCKFNSA-N 410.478 0.651 30 20 HCED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](CNS(N)(=O)=O)C1 500218448 IXCLAYJNDBMTFM-GJZGRUSLSA-N 411.503 0.966 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2c(-c3ncccn3)noc2=O)CC1 502896262 NSPPIDARCYJRPT-CYBMUJFWSA-N 411.447 0.764 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 503174825 KHEIZIYRZGKRKV-MRXNPFEDSA-N 407.434 0.573 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cc2)c1 503304557 QAAWDJWUEHALQY-UHFFFAOYSA-N 407.386 0.957 30 20 HCED COCc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ncn1 505163476 AUZUTSVIPJMZDQ-INIZCTEOSA-N 408.418 0.745 30 20 HCED CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508659089 TUPQXHLCNNMYAN-INIZCTEOSA-N 405.480 0.340 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)NCC)CC1 508875883 WBDDWDCZVSTYDR-UHFFFAOYSA-N 417.539 0.714 30 20 HCED CC(=O)NCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C 512495737 ZEABNEIOOABZFI-CQSZACIVSA-N 416.478 0.983 30 20 HCED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512999830 QQYDRNQHUPXCIW-CYBMUJFWSA-N 400.414 0.658 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C 523574655 YIIMKNFADUQEFF-UHFFFAOYSA-N 404.513 0.969 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 531546724 PJRKKMPEIDKXGB-LBPRGKRZSA-N 403.468 0.278 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)NC[C@H]3C2)CC1 539454926 KNYIRUIGSWQZHP-ROUUACIJSA-N 400.458 0.244 30 20 HCED N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 539995580 BFFIPVFFWOPSIK-UHFFFAOYSA-N 404.408 0.196 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 541759965 AVCGMZFNAKDJRA-OAHLLOKOSA-N 401.510 0.344 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2 548370156 IQMPYVYIALKING-UHFFFAOYSA-N 404.408 0.250 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(C4CCCC4)C3)C2=O)cc1 553357331 LIUDKJJSSSGATC-AZUAARDMSA-N 423.517 0.908 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)CC1 554827261 BYCPNVHNDAZQLJ-OXQOHEQNSA-N 415.519 0.773 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CCN1Cc1ccccc1 560732172 GMGJMOGZBNCEHO-DLBZAZTESA-N 423.439 0.976 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)c1C#N 560841365 PZZLJGHBCFKIIZ-CXAGYDPISA-N 413.507 0.925 30 20 HCED COCCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 573174253 OJJPYKMYZZTROV-HOTGVXAUSA-N 409.512 0.975 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1F 576746157 FRNPOKJOCXZDRV-GJZGRUSLSA-N 409.439 0.831 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 578823224 NBBKFHDCJAJUHT-MRXNPFEDSA-N 416.434 0.897 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccc(C#N)cc1 579218276 YMAMOVQDAJIHFY-AWEZNQCLSA-N 406.446 0.578 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccc(F)cc2)cc1 579412916 CSFLGTRGNQKEJB-UHFFFAOYSA-N 404.423 0.522 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC1 581361791 RXDUYIDJXROUJS-ICSRJNTNSA-N 405.587 0.628 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@@H](C)O1 603576493 SCWUXEOTDCQDQE-IYBDPMFKSA-N 422.507 0.435 30 20 HCED COC(=O)[C@H](C)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603850203 GTDSBQWOKORFBE-OAHLLOKOSA-N 422.507 0.132 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 609992277 ORROBZPPRYXXMV-ZDUSSCGKSA-N 424.435 0.521 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 610782309 MGBOISWNYXPRSY-RHSMWYFYSA-N 421.523 0.145 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)CN2CCCC2=O)cn1 726112391 OINHADRBDDBTAT-JSGCOSHPSA-N 406.512 0.982 30 20 HCED CC(C)(O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 730082988 FSTVHWQHMYMHMP-UHFFFAOYSA-N 408.524 0.420 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)c1 731123888 DOPKCTCKVMTIRD-UHFFFAOYSA-N 415.471 0.873 30 20 HCED CCc1nn(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(=O)c(C#N)c1CC 731937315 KGPWHCRXUQHTLI-NRFANRHFSA-N 422.445 0.738 30 20 HCED Cc1ccc(CN2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909146 ZMWYGBLPAAGDNS-IRXDYDNUSA-N 417.487 0.309 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCN(C)CC2)ccc1F 733975507 ZIRVHBMVKBXJDC-UHFFFAOYSA-N 412.487 0.184 30 20 HCED C[C@@H](CC(=O)NCC1(N(C)C)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742679222 UZEJVVHOSWTFOH-AWEZNQCLSA-N 408.524 0.731 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(S(N)(=O)=O)c1 743893192 PUZSMLSEGBSMKU-UHFFFAOYSA-N 405.407 0.740 30 20 HCED Cn1cc(N2CCC[C@@H](OC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 744495333 MMQLHVBFZZJILK-CQSZACIVSA-N 417.447 0.197 30 20 HCED C[C@H](CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 745494700 BFOHXADZANKNMA-BLVKFPJESA-N 418.475 0.855 30 20 HCED NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746112646 SJWLMLGVNFATMU-AZZGVMCLSA-N 411.462 0.274 30 20 HCED COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1C#N 747447185 XEYHMDJOABCVFT-GFCCVEGCSA-N 416.459 0.649 30 20 HCED CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 751922079 CIJNJSURXGDTDT-YGRLFVJLSA-N 417.491 0.520 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNc1cccc(S(N)(=O)=O)c1C#N 755006722 XFGWNLSVVMCMSJ-UHFFFAOYSA-N 424.504 0.431 30 20 HCED COC(=O)c1cccc(COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)c1C#N 756147334 OJJIJLRWVFJBPW-UHFFFAOYSA-N 402.388 0.358 30 20 HCED C#CC[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 757261846 HQKUKVORYALNLZ-INIZCTEOSA-N 405.414 0.452 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)[C@H](C#N)C1 757595858 UNIIGMWCUUTPAP-NXEZZACHSA-N 400.482 0.884 30 20 HCED Cc1nc([C@@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 761064670 MTAKPZPTVZQUFW-CYBMUJFWSA-N 402.480 0.948 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCOC3)c2=O)c1 763457965 LAYOSHSJYLNHTI-MRXNPFEDSA-N 412.515 0.410 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)nc(O)n3CC(F)(F)F)CC1 765404232 ALNGYFYMZPODKM-UHFFFAOYSA-N 423.395 0.811 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 769157822 WYWXDPFOTPRVLZ-CYBMUJFWSA-N 405.459 0.029 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2ncn(C)c2=O)c1 778626317 FEJZGBOOMAQAHO-PGMHBOJBSA-N 420.495 0.814 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 780478972 ACRPQXJWBSURMB-QGZVFWFLSA-N 414.481 0.771 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780726380 JYMXDVJWLUOOFY-UHFFFAOYSA-N 421.504 0.784 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782635455 BZBCRKNPJACSKH-UHFFFAOYSA-N 411.399 0.575 30 20 HCED 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C=CCC1(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 810985619 CORFRYDBDMMZFA-UHFFFAOYSA-N 414.505 0.717 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(C=O)CC1 816269414 QGENHRJUOWFEDJ-MRXNPFEDSA-N 406.508 0.975 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CC1 839378970 NBYXLSWOVNFBGU-UHFFFAOYSA-N 401.492 0.024 30 20 HCED C=CCNS(=O)(=O)c1ccc(-c2nc(-c3c(O)nc(=O)n(C)c3C)no2)cc1 904911043 WVDCAZGEZHHJJV-UHFFFAOYSA-N 403.420 0.976 30 20 HCED COC(=O)c1c[nH]nc1S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 912529965 JBJXNSMQRZRIGI-UHFFFAOYSA-N 403.464 0.965 30 20 HCED Cn1c([C@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)nc2ccccc21 915099871 DTHPDKAJIVTZSO-CHWSQXEVSA-N 413.459 0.915 30 20 HCED CCCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916876946 LAAWQTWFIVIPAH-INIZCTEOSA-N 420.491 0.436 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 967253085 FTCBOMSPIAOFDJ-GCNBINEPSA-N 401.507 0.356 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC(N)=O 1286631085 YPGSJYUSRZJKSR-NEPJUHHUSA-N 420.923 0.064 30 20 HCED CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1312625297 ISJSGDKSLXLEGQ-HOTGVXAUSA-N 407.496 0.286 30 20 HCED CS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316350692 VDUWGMQKYNDESS-JKSUJKDBSA-N 408.528 0.741 30 20 HCED C=CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1321028058 PHNLLQNSWRRCFP-OAHLLOKOSA-N 412.512 0.753 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)CC1 1321272635 YMBSLCBYBIFOKI-UHFFFAOYSA-N 402.451 0.230 30 20 HCED CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1516130935 KPAQTBRXOQUBAL-QRWLVFNGSA-N 420.514 0.951 30 20 HCED CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516965520 LWADJZHHMZDONZ-GOSISDBHSA-N 408.510 0.919 30 20 HCED CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1517633424 YNQAQDNKLAGMDK-AWEZNQCLSA-N 416.511 0.662 30 20 HCED 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C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2C(=O)CNC2=O)[C@H]1c1cccnc1 1804096009 UBJHDIXXIKOFMJ-ZSZQSSIHSA-N 413.478 0.851 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)C3(C#N)CC3)CC2)C1 1805957281 ICPIJOPWEMPUMC-HNNXBMFYSA-N 410.540 0.849 30 20 HCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)CC1 1809602645 UKFYYLNKJNOULO-AZUAARDMSA-N 410.522 0.639 30 20 HCED NC(=O)c1nccnc1C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1811183685 WNHDTRDPJKBYCA-OXJNMPFZSA-N 418.457 0.704 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)c2cn3[nH]cnc(=O)c3c2C)[C@H]1c1cccnc1 1811309444 CGCMCLYRXCPHEG-HNAYVOBHSA-N 404.430 0.679 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]2c2cccnc2)c1 1811536266 SDXCIKSFROYLFU-BXWFABGCSA-N 423.477 0.194 30 20 HCED Cn1cccc1C(=O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1813480040 MZKGIRGUKKODEO-BEFAXECRSA-N 408.414 0.397 30 20 HCED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1815117721 SUXDOKYRFBDMKK-AWEZNQCLSA-N 421.421 0.255 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]nnc3C)sc2C1 1815929702 BFSYTUUWWVGOHV-JMEBYUIHSA-N 415.479 0.654 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]2)c1 1817247601 KGCMNTMZSAEUCP-SWLSCSKDSA-N 412.454 0.508 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819906164 DFEVQKCPXACKRL-UFCOUHOFSA-N 420.447 0.672 30 20 HCED O=C(C/N=C/c1ccco1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819955224 GVVLVELFKZMXLH-JURWVPNMSA-N 417.491 0.490 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822985283 YATJARZRUGPKSN-LBPRGKRZSA-N 409.512 0.346 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1823744593 WVXZHZMHTDBLBI-TUYSUELWSA-N 415.498 0.151 30 20 HCED COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn1 1825661032 FSQNYPHMKCMWJS-NSHDSACASA-N 400.416 0.861 30 20 HCED C[C@@H](S)C(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1827401433 MKONDJUWNRGXGL-BXUZGUMPSA-N 419.511 0.364 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CC(C)(C)C3)C2)C1 1829773519 LXPXBSBFRRZAQX-LXHZQTKUSA-N 419.522 0.737 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830061630 OZSIJAMXLAPMIZ-UWJYYQICSA-N 408.543 0.970 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1831403921 BMDISJOEIUIWPK-NQIIRXRSSA-N 410.511 0.995 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831424314 HNCCNKPKYBPVBN-VBKZILBWSA-N 421.450 0.154 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831478933 KYTQCTVPLVMFDW-HXUWFJFHSA-N 406.483 0.051 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1831484772 DKTQFRPDMBVUPN-LPHOPBHVSA-N 410.492 0.873 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832817779 KRRVWHSOAZYZHU-OAQYLSRUSA-N 402.495 0.992 30 20 HCED CN[C@@H](CC(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1)C(=O)O 1833426433 TXWCFTJMOSUKAO-SFHVURJKSA-N 404.511 0.034 30 20 HCED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1834719145 PXYDUWLHEOICLN-IBGZPJMESA-N 405.838 0.871 30 20 HCED CC[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N(CC)CC 1835338551 LAOBUGVEWOTYHF-UTKZUKDTSA-N 406.527 0.867 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cc(F)ccn4)C3)C2)CC1 1835340572 ARHKZHXBTWGQLH-OAQYLSRUSA-N 416.453 0.913 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838147009 JVMSQKBUCYLOIS-UWJYYQICSA-N 418.494 0.320 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncon4)CCO3)C2)c1 1838321341 RHEACSIHRHEFNJ-LJQANCHMSA-N 415.381 0.464 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838647593 NKMBTRBQRDRSNK-QHCPKHFHSA-N 421.453 0.909 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=C(C)OCC3)C2)C1 1839174558 JNKCOIHZHBUVDT-NRFANRHFSA-N 422.478 0.647 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1839228865 QZLKCNNNLGFRCP-MDZRGWNJSA-N 422.486 0.096 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839759649 FDKCUKJZDHRUAD-OXJNMPFZSA-N 424.494 0.377 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839775679 PDSMTAAIBPCTJM-NRFANRHFSA-N 410.511 0.852 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3-c3ccccc3)C2)C1 1839808031 HLGQIQGHTXYKSO-JOCHJYFZSA-N 408.458 0.884 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839887430 CBYJCJRMRSTNBT-LPHOPBHVSA-N 424.448 0.749 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1840168742 OQQMWLZUGXYJTN-FPOVZHCZSA-N 408.495 0.834 30 20 HCED C=CCCC(C)(C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1841057287 QHUHLIQEJVSEPU-UHFFFAOYSA-N 411.568 0.913 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cccc(OCC(N)=O)c3)NC[C@H]2C1 305041520 VTRIPQUIBSQXHM-HNNXBMFYSA-N 403.483 0.931 30 20 HCED COc1ccc(C(=O)Nc2n[nH]c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 431455707 FZQOXVVTGJBYSL-UHFFFAOYSA-N 405.436 0.872 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435154225 RHEDAMSBGTWWFP-LBPRGKRZSA-N 405.354 0.629 30 20 HCED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 435221725 ZTCSVYIJSWUHJS-QKKBWIMNSA-N 414.462 0.864 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)C1=O 440277671 BYOIWPHEUSPBEX-INIZCTEOSA-N 422.507 0.559 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 442458150 GXASKMXPYVRNJO-MRXNPFEDSA-N 424.461 0.586 30 20 HCED N#Cc1ccsc1N1CC[C@H](Nc2ccn(CC(=O)N3CCOCC3)n2)C1=O 444413724 DODOKOIZSQSEKP-AWEZNQCLSA-N 400.464 0.892 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 446791752 VQBGFLVRNNSWAS-GOSISDBHSA-N 409.494 0.620 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(=O)n(C)c1=O 447917910 YTUXDJYCJSAIAS-HRAATJIYSA-N 417.510 0.895 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(F)c1 467140606 XVHVBWKBXQXFRE-GVARAGBVSA-N 407.398 0.922 30 20 HCED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)c1=O 467896616 BKJGJINYQWVFBS-UHFFFAOYSA-N 400.826 0.593 30 20 HCED COCCNC(=O)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 479109358 DARSYRJHUIADOW-UHFFFAOYSA-N 402.329 0.317 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2sccc2OC)c1=O 479981589 DJWJKHYDOHDPID-UHFFFAOYSA-N 404.513 0.871 30 20 HCED CN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 480136608 OHGABVDKPMFIEG-QGZVFWFLSA-N 404.492 0.696 30 20 HCED N#CCCN(C(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O)c1cccc(Cl)c1 482060538 JTWXRMYPSZUWAN-CQSZACIVSA-N 418.841 0.614 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 482379075 CACHPJLYEYZXRT-RDJZCZTQSA-N 406.508 0.406 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(OCC(N)=O)c1 482384418 WKJWIOSKWYWZMD-ZDUSSCGKSA-N 416.459 0.406 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1OCCO 482834329 IZOIVTAFDLBZLA-CQSZACIVSA-N 403.460 0.913 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(C3CC3)n2CCC(N)=O)CC1 502884779 KGRKGVOWAQNJBF-OAHLLOKOSA-N 419.555 0.815 30 20 HCED C=CCN(C(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 504267796 XUIOSRNLTZXHNI-ZDUSSCGKSA-N 420.433 0.871 30 20 HCED C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 506861305 LEYJWNVLLNSHFS-CQSZACIVSA-N 419.507 0.806 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n([C@H]2CCN(Cc3ccccc3)C2)n1 508943850 WIVIHMRSUMEWQO-KRWDZBQOSA-N 423.477 0.333 30 20 HCED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 508998836 FCPZCRZQFLBRAN-MRXNPFEDSA-N 412.498 0.589 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(CC4CC4)CC3)C2=O)cc1 516598252 VDXRPFUNNJVUFF-LJQANCHMSA-N 409.490 0.724 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)C1=O 517412707 GSPNWHUJFHUSSC-GFCCVEGCSA-N 406.826 0.077 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(CC)n2)c1=O 517984232 WPCWRCZXQVQIFY-UHFFFAOYSA-N 420.560 0.994 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCSC)c2nnc3ccccn23)C1=O 523389015 ZHARWUXEDQBKQS-GFCCVEGCSA-N 416.463 0.617 30 20 HCED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 524970805 RJPKCHQGFHUYQS-MSOLQXFVSA-N 421.519 0.957 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(C)C2)cc1 527079464 TUIFSWVESQYNMV-HNNXBMFYSA-N 408.524 0.890 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 541974023 GKRQHEDSMDGSPQ-INIZCTEOSA-N 413.434 0.996 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3OC)C2)nn1 546707882 ZSUWQRCOKYKBCV-CYBMUJFWSA-N 412.406 0.747 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 549321559 ZWPYVHQQOPJKHZ-INIZCTEOSA-N 406.454 0.711 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 553329290 CZJPVTZCDRMZQL-UHFFFAOYSA-N 419.570 0.156 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@@H]2C(N)=O)nc2sccc2c1=O 554993105 TXZJFBROUUZKHG-LLVKDONJSA-N 421.504 0.922 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 564126712 WOLSBVICATXZPQ-RBUKOAKNSA-N 400.479 0.513 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 567044195 VWOPVKYYNBOQSO-UHFFFAOYSA-N 410.908 0.138 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCc1cccnc1 572066239 LQXVYFHYMQTURH-UHFFFAOYSA-N 421.507 0.730 30 20 HCED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cn1 575364268 NHDIIQXQZXUFNE-MJGOQNOKSA-N 408.462 0.869 30 20 HCED CCc1nn(C)c(CC)c1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 576006598 HNOIIYJNSOUXCE-UHFFFAOYSA-N 420.477 1.311 30 20 HCED CC[C@@H](NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)C(=O)N1CCOCC1 578158242 ZJOKKESZAMXKFW-MRXNPFEDSA-N 413.478 0.219 30 20 HCED CC(C)c1nc([C@H]2COCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 579416505 KLCNUJPWZHDDIH-OAHLLOKOSA-N 419.463 0.943 30 20 HCED CNC(=O)c1cc(Cl)cc(S(=O)(=O)NC2CCN(CC#N)CC2)c1OC 586759229 OWGMCESJDJMVKV-UHFFFAOYSA-N 400.888 0.974 30 20 HCED CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 589422252 DHPMSTYWPQRPME-WFASDCNBSA-N 400.439 0.352 30 20 HCED CCOC(=O)[C@H]1CSCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 603446271 RZYOXMDDTBVOSA-OAHLLOKOSA-N 411.505 0.686 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603595556 SJQHTEQYMVWCOD-UHFFFAOYSA-N 421.465 0.952 30 20 HCED C=CCOc1ccccc1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 605386485 GJDKCACRHPIKEX-INIZCTEOSA-N 421.519 0.313 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(C#N)ccc2OC(F)F)n(C)c1=O 609067635 KDTKSZCAOIAIPU-UHFFFAOYSA-N 404.333 0.545 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCO[C@@H](C#N)C2)c1 609269367 ZJCUJUIRANRZHN-AWEZNQCLSA-N 408.480 0.138 30 20 HCED N#Cc1cnn2c(O)cc(Cn3nnc([C@@H]4CN(Cc5ccccc5)CCO4)n3)nc12 609479269 DSBFELLAAJTDQM-KRWDZBQOSA-N 417.433 0.915 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 610738562 JHSBNQSZSYVKNF-UHFFFAOYSA-N 415.313 0.715 30 20 HCED CC(C)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)NS(C)(=O)=O 611544204 AXWMSRIDNVYCNL-OAHLLOKOSA-N 407.496 0.681 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 619763526 ZTTWLCLGXQLHFI-ZBCRRDGASA-N 405.480 0.433 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 670688505 KAWUDEKCYZWMJV-OAHLLOKOSA-N 418.494 0.327 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2CC)CC1 677456906 AXVRRCDUCXTCAL-UHFFFAOYSA-N 404.515 0.486 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726671158 PQARSWKVHQBBHE-SFHVURJKSA-N 409.464 0.593 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)Nc2cccc(C)c2)CC1 728608569 HSNQSNXBGRWHES-UHFFFAOYSA-N 402.520 0.560 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1 729257276 ZPAVVDVRLBTNPF-UHFFFAOYSA-N 406.508 0.264 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 730073706 ROGKBBDTVRDDBO-VDVBZYJVSA-N 419.463 0.189 30 20 HCED Cn1c(S)nnc1[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 730089776 HHFDXCSKOZXFTL-NSHDSACASA-N 420.520 0.549 30 20 HCED NC(=O)[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Cc1ccc(F)cc1 732465683 IWYDRIMNWLPLOP-DOXHGZAWSA-N 403.414 0.295 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 733148616 FAPRBIMAVVDHBX-FQEVSTJZSA-N 423.521 0.821 30 20 HCED C#CCCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 743972593 RFEFKSUHELKMLP-UHFFFAOYSA-N 409.464 0.184 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)n(C)c1=O 744489991 RPFOTXDJFLADSM-UHFFFAOYSA-N 421.373 0.099 30 20 HCED C[C@H](Oc1ccc(C#N)cc1)C(=O)NS(=O)(=O)c1ccc(CNC(N)=O)cc1 744951007 AYPFEVSVAWSVNS-LBPRGKRZSA-N 402.432 0.999 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1 745151396 JEUKFJVQLCKVIC-OAHLLOKOSA-N 403.482 0.230 30 20 HCED C[C@H](CC(=O)OCC(=O)NC(=O)NC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 745498521 XMBOXEWHEYQZAN-SNVBAGLBSA-N 408.436 0.035 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)CC1 747741770 KWJLUJXJTCFTCU-UHFFFAOYSA-N 421.519 0.521 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(C)C)CC1 749638370 ASWJSPAAADMIBX-UHFFFAOYSA-N 419.503 0.795 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cc1C#N 752397064 WSTMYCNSNHQQLH-UHFFFAOYSA-N 415.406 0.720 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)c2cccnc2C#N)CC1 758081389 PKDJTJJGQZTMDA-UHFFFAOYSA-N 423.495 0.749 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)CC1 761053661 JKFAQHSWSROUPQ-UHFFFAOYSA-N 423.466 0.546 30 20 HCED CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767675977 MEYPJCIKMCIPFI-NEPJUHHUSA-N 410.452 0.391 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCC(F)(F)F 767679679 JWEBQDVQXCWEMY-NXEZZACHSA-N 407.370 0.835 30 20 HCED CCn1nc(C=c2sc(=C(C#N)C(=O)NC)n(CCOC)c2=O)c2ccccc21 769888024 YIOOEBHQZBRLOE-UHFFFAOYSA-N 411.487 0.175 30 20 HCED COC(=O)Cn1cc(C(C)=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)nn1 772841578 TYQOFXDIBRHZLS-UHFFFAOYSA-N 407.456 0.467 30 20 HCED C#C[C@H](NCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@@H]1CCCO1 775789001 AIJQAMLEUFGVRS-ABSDTBQOSA-N 413.474 0.268 30 20 HCED C#C[C@@H](NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCCO1 775805610 GXZCOORSDSLQFN-QZTJIDSGSA-N 421.519 0.094 30 20 HCED O=C1NCC2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)O1 781858804 YBVGUSHQLKAGPA-UHFFFAOYSA-N 406.464 0.606 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 783065702 RWEWUXDRINKBKB-UHFFFAOYSA-N 404.466 0.599 30 20 HCED Cc1nccn1-c1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cn1 787481197 JXYPEBOUUKRVHF-UHFFFAOYSA-N 421.465 0.460 30 20 HCED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 789723737 DJZIZEXUMAKIBG-OAHLLOKOSA-N 416.459 0.411 30 20 HCED Cc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1S(=O)(=O)NCC#N 790241188 OPWRYMHWQQNKCP-UHFFFAOYSA-N 419.463 0.696 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)o1 794315918 OZODNRIRUXXKOY-UHFFFAOYSA-N 416.415 0.629 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(CN2CC[C@@H](O)C2)c1 794571994 NLLIGPOGIGYLRF-MRXNPFEDSA-N 414.487 0.930 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c(F)c1 802572846 JPIYSDSPJLOHOX-AJNGGQMLSA-N 420.368 0.836 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)nc1 810348626 QAWPVSCDELCREE-UHFFFAOYSA-N 401.390 0.572 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1 813981358 MWTQTFDRJDKDQL-UHFFFAOYSA-N 406.807 0.837 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCCOC)nn2)cc1 816681537 ZJDUYENLECCESG-UHFFFAOYSA-N 404.448 0.343 30 20 HCED C/N=C(/NCCNS(=O)(=O)c1ccc(F)cc1Cl)NCCN1CCOCC1 848988661 VXIHKJBUOAPLDC-UHFFFAOYSA-N 421.926 0.255 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 920201133 ZQWLJCZJALQBMH-UHFFFAOYSA-N 404.442 0.907 30 20 HCED CC(C)(CC#N)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1210059703 WXWWTRWMHANAHZ-UHFFFAOYSA-N 408.528 0.705 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1286969686 QSWBHNBIMSGNQG-ZIAGYGMSSA-N 410.500 0.618 30 20 HCED Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1289161824 QHVKQOHATWZWND-GUYCJALGSA-N 424.506 0.995 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1473348722 ZZUAEHLPGHXAPB-GOSISDBHSA-N 406.508 0.472 30 20 HCED CCN(CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1502182135 JOICVHCAPHHSIC-QGZVFWFLSA-N 424.506 0.792 30 20 HCED CCn1cnnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1502238397 YZGOLXMGPWLQLU-CYBMUJFWSA-N 421.531 0.678 30 20 HCED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1509877025 QKLRRFOPSYEMHV-HUUCEWRRSA-N 414.532 0.774 30 20 HCED CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1614523942 NCWYHTFBFROWDW-CJNGLKHVSA-N 400.480 0.853 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1618826886 KKSTVFXWFQJULJ-UHFFFAOYSA-N 422.493 0.804 30 20 HCED N#CCC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1620357774 PDICNQDDAYPXTK-SFHVURJKSA-N 404.496 0.953 30 20 HCED Cn1c(=O)[nH]c(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(C#N)c1=O 1654966753 UTODAIYLRMYVNF-UHFFFAOYSA-N 405.361 0.509 30 20 HCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)cc1 1697493425 MNRONFHLALLOGM-MRXNPFEDSA-N 421.479 0.639 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(CO)nn1 1722861581 PDHBVGIVCNDRNK-CQSZACIVSA-N 401.475 0.284 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778543672 ZADLIPVQGISAGQ-LJQANCHMSA-N 400.366 0.005 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cccn1 1779069365 PYMSQARFADYYGT-PGRDOPGGSA-N 414.506 0.973 30 20 HCED Cc1[nH]nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1F 1779101635 SCBBCTGRWGZKIQ-JCBCYHQMSA-N 423.445 0.830 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885356 PPXMIAHZWCRPNU-LQOIVRHRSA-N 401.467 0.235 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c1 1780597872 WNKXRVDMFONLDY-NRFANRHFSA-N 412.446 0.844 30 20 HCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2)C(F)(F)F 1781804791 QVLDIDTZPPDCMK-CXAGYDPISA-N 417.432 0.459 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1782210132 GVKXNBJEXAVGAA-QFIXIFRTSA-N 421.494 0.810 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782634774 JBYSHSJAHGRZJE-IERDGZPVSA-N 418.494 0.518 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NO1)CCO2 1783557510 HVNCAFZSMSBMNY-UWJYYQICSA-N 411.414 0.098 30 20 HCED CN(C)c1c(F)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1783563692 ZKOHSEBDAYFNTP-FQEVSTJZSA-N 421.400 0.562 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(C)CC3)[C@H]2C1 1783595150 IZXPJUMWZKKFSC-PXYFQHJDSA-N 418.538 0.166 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(CN(C(=O)CCN3C(=O)C=CC3=O)CCO2)C1 1784195380 SFIFRNCRGPJSKQ-OAQYLSRUSA-N 401.463 0.325 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1784502891 IKDXLWDQRBMEBE-ABHRYQDASA-N 406.439 0.072 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(N)=O)C[C@@H]21 1784506211 JYTZTHZNRUGXJN-LNMJFAINSA-N 415.490 0.970 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785639669 KJBLKJHAUKTPRJ-APYUEPQZSA-N 422.507 0.723 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ncccc4n3)[C@H]2C1 1788015585 MEBFWWRZQDZZKC-CVYDXHPNSA-N 411.462 0.361 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1788573127 QRXVBPATDIMEOU-OYSPMZIOSA-N 417.506 0.552 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3C)C[C@@H]21 1788573521 WQTQMHXLKGJKCP-DKIMLUQUSA-N 404.511 0.895 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1788755289 JPMGPSMHUJPHKN-FCLVOEFKSA-N 410.474 0.842 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1789955786 OBOKFJUXRQUWCG-QZWWFDLISA-N 410.515 0.539 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]4C3)c(C)n2n1 1791261507 NJBLMMUGANCZSC-QPSCCSFWSA-N 418.523 0.653 30 20 HCED COC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1791476408 YLZGYAUGNLEPDP-ULQDDVLXSA-N 400.435 0.508 30 20 HCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(=O)cco2)C3)cc1 1792555666 CIABRBWUOGRWRE-UPHUGPLXSA-N 407.426 0.957 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1CCN(C)CC1)C2 1792566353 SLJABTFXQAJDFF-UOWARQBLSA-N 417.554 0.121 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc([N+](=O)[O-])o1 1793103922 MVFJYKSBQPCGMB-BMPNSRNZSA-N 417.418 0.829 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1793383190 PLGYVKCZIOLUPV-QXGSTGNESA-N 417.535 0.816 30 20 HCED Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)[nH]1 1793538031 MFHANFOFCOBLIN-HGKCTWBKSA-N 400.479 0.620 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OC)c(F)c1 1794361059 BCQKUNPLKMDKID-JJAZEVLHSA-N 405.426 0.471 30 20 HCED Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)n1 1795814826 DMQLZBRSBWENLQ-FAQVEIGNSA-N 423.473 0.503 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 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20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@](C)(O)CC(=O)O 1801002780 HECNGYMRPSJGAG-JGTCGTHISA-N 400.497 0.111 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1c1cccnc1 1802482257 LFIKQTHDROPVTH-FQPQFMITSA-N 422.489 0.912 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2nccn2C)[C@H]1c1cccnc1 1802484106 XZUPSGRLXCISOU-RJARYPFESA-N 422.489 0.993 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1803450706 QKQQXQKFDUQDOB-QFBILLFUSA-N 420.406 0.226 30 20 HCED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)C1 1806016566 VYBARFRFNMTNPB-UHFFFAOYSA-N 423.510 0.743 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806631295 FIYDYRYXJZDECM-QSOKESPWSA-N 400.479 0.957 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1c1cccnc1 1807148262 PTLUKGFNEUVSKE-PKOBYXMFSA-N 424.509 0.661 30 20 HCED O=C(C#CC1CC1)N1CCC2(CCCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C2)CC1 1809963540 TUBYBNSUZSFDCV-UHFFFAOYSA-N 408.462 0.676 30 20 HCED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810284181 KSTPHGPAAGMMKE-YGZXRXDBSA-N 414.514 0.042 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1811518037 ZEVNQLJMVBXJHB-HFTRVMKXSA-N 402.451 0.564 30 20 HCED N[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)c1ccccn1 1812879656 SJDZLYGZPFHDSN-UIAACRFSSA-N 407.430 0.270 30 20 HCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)CC#N)[C@@H]2c2cccnc2)c(=O)nc1O 1814038131 WIHZQMVBOGDSAQ-MAUKXSAKSA-N 410.434 0.272 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814404428 FWTFVLATGUTMJM-SUHUHFCYSA-N 406.508 0.907 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@@H](NC)C(=O)O)sc2C1 1815081061 ZBMONDQCXFLROZ-QKCSRTOESA-N 424.523 0.691 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=O)N(C)C)CC1 1824487277 RGPZFINBPJEYCL-SJLPKXTDSA-N 406.527 0.916 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CC2 1825011108 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411.462 0.603 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843009294 FYZKDOZPXDORQT-GFCCVEGCSA-N 401.427 0.036 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)c1 1844298518 WBKIWEFNBDNBNZ-OXJNMPFZSA-N 412.490 0.781 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C)cc(C#N)c2)C1 1845522819 SZEOWWVIGJFMGP-MRXNPFEDSA-N 400.435 0.748 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1 31806587 HQHWYWRPRGEFCY-UHFFFAOYSA-N 416.478 0.658 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)CCO1 409512559 JJRKPBORRSCQDN-RISCZKNCSA-N 418.397 0.647 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 429769301 VJAQDXYJLAYZAR-UHFFFAOYSA-N 409.493 0.062 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 430483320 KZKSYKRBJRULHA-AEFFLSMTSA-N 424.505 0.509 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1C#N 435488692 DSYCFOPFIANVKQ-OAHLLOKOSA-N 408.480 0.824 30 20 HCED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 439328898 XOSKVUSGUKMFCJ-GFCCVEGCSA-N 412.443 0.546 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCOC1 441940863 HMGYXOCLNQRWMZ-CQSZACIVSA-N 413.474 0.891 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443325456 XIDPHBRFRYYUMH-UHFFFAOYSA-N 422.385 0.839 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 443475821 MVHVWFQRYXTHOM-SJORKVTESA-N 412.537 0.580 30 20 HCED CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 443523251 RKVLTBBMDKJYRS-UHFFFAOYSA-N 400.526 0.592 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 444583385 RQJVHPLREVNVAD-LBPRGKRZSA-N 400.826 1.310 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C(C)C)N1CCCS1(=O)=O 461296460 SOZWTSPZPOICNS-MRXNPFEDSA-N 402.480 1.446 30 20 HCED CN(C)CCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 463322248 XQUWEKPUCPXCBV-QGZVFWFLSA-N 406.508 0.255 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3CCN(C)C)CC2)c1C#N 472883403 SKDLBUJTCSFBJM-UHFFFAOYSA-N 423.521 0.992 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 476633982 RKBZYEUKRSTCII-UHFFFAOYSA-N 408.480 0.396 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H](CC(N)=O)c2ccccc2)n1 486307251 BUYQMLRGGGKTEE-OAHLLOKOSA-N 403.402 0.810 30 20 HCED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cn1 488777455 CGAWVYWJIAQIMH-UHFFFAOYSA-N 405.411 0.399 30 20 HCED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 488985673 RORIFQJMUWKIRY-OAHLLOKOSA-N 412.467 0.825 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 490412579 UZIHYVKVGOZBQX-CQSZACIVSA-N 419.457 0.321 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)CCO1 490427883 SFXUNOBMGRCXAN-STQMWFEESA-N 415.269 0.223 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1=O 500326701 FQKNCLLCCSSKMN-NSHDSACASA-N 424.360 0.378 30 20 HCED CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503733763 FAHZUNJFHPAETI-MLHJIOFPSA-N 410.474 0.705 30 20 HCED COC(=O)[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C(=O)OC)C1 509381650 WPRJALPWKZXUFM-CZUORRHYSA-N 411.418 0.893 30 20 HCED CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1 516795553 MAKVEQJNAGTWCQ-SNVBAGLBSA-N 413.415 0.755 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1F 517557902 XBPOODGVZMWSJE-UHFFFAOYSA-N 401.463 0.961 30 20 HCED Cc1ccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1S(=O)(=O)NCC#N 520270958 PKZQEDGDFCFAOG-UHFFFAOYSA-N 421.523 0.079 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 532642652 XGPOMFLTJDWZCC-UHFFFAOYSA-N 402.480 0.545 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cncnc3N)CC2)cc1 533780852 LPWLNIHXQHZAON-UHFFFAOYSA-N 400.464 0.648 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1O 536371305 SZUYMSSELNLIKY-NVXWUHKLSA-N 406.508 0.094 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539367971 FLWLCJJJNPNZKW-YJBOKZPZSA-N 410.515 0.899 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)CCC=C)[C@@H](c2cnn(C)c2)C1 543176500 FHXVZJUYEHTUTO-MRXNPFEDSA-N 402.542 0.891 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 543749170 ZOONTILTPVKAKT-IRXDYDNUSA-N 419.507 0.777 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)C2 550339333 QLOZJDBCWYCMIO-KRWDZBQOSA-N 405.462 0.374 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1 550451329 SREXVANEHPBYLQ-UHFFFAOYSA-N 407.496 0.171 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n(-c2ncccn2)n1 551064694 KMQSSWOOKLRGCR-HNNXBMFYSA-N 418.417 0.856 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C4CCCC4)C3)CC2)c1C#N 553701352 SHVFZOKKHFNOMW-MRXNPFEDSA-N 413.526 0.382 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 557411078 JSZUFRKZBROQBL-MRXNPFEDSA-N 400.479 0.683 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)c1 559764702 YRTNJUYXKUSFHI-UHFFFAOYSA-N 421.457 0.869 30 20 HCED CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3c(C)cnn3C)c2=O)c1 560426785 BPWOPMNKVCTFHH-UHFFFAOYSA-N 423.498 0.589 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CS(C)(=O)=O)CC1 561708846 IYTFDAMPULJLDN-CYBMUJFWSA-N 413.521 0.508 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 566826832 OZQXAZJRPNECNP-MRXNPFEDSA-N 423.477 0.648 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)CC1 588126664 OHOLOFYWVBIBFZ-IBGZPJMESA-N 411.506 0.440 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCN1C 588224609 WXSCQLAVVKTUJK-HIFRSBDPSA-N 400.483 0.671 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 588780906 GFBNENCPIFMYOC-GOSISDBHSA-N 424.505 0.509 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 589313759 SSQGLAJHBUYTQZ-MRXNPFEDSA-N 403.464 0.219 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN(CC(=O)N(C)C)CC1 609462667 QAMUWCDOPUMCJO-UHFFFAOYSA-N 411.510 0.819 30 20 HCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615629399 KPDGNKSNERZDLO-LJQANCHMSA-N 404.398 0.570 30 20 HCED COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 619455004 HDFQCIYAQHTJPD-CFVMTHIKSA-N 402.382 0.875 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1 645624619 ZXOJUGJEPSCTAV-PBHICJAKSA-N 406.508 0.594 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCc2ccccc21 726173533 MEZXOBDOFXIQHX-UHFFFAOYSA-N 412.471 0.821 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n1CC(N)=O 727161384 XTLLEDVVQRRHLQ-UHFFFAOYSA-N 408.361 0.363 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC1 729281863 QRZBHZULBCPISN-UHFFFAOYSA-N 403.527 0.198 30 20 HCED Cc1oc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)N1CCCC1 731861524 DVPRKFFPIBZTHM-FBMGVBCBSA-N 422.463 0.629 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 732154278 TVGUFVXBERHSLL-PEZBUJJGSA-N 421.339 0.937 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732492655 NPPGLPZPEBTHMS-INIZCTEOSA-N 424.479 0.132 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)c1 741741660 JZYDZWLTFVDBEA-QGZVFWFLSA-N 407.430 0.913 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 743893897 DOYCZMWCNWLYNL-UHFFFAOYSA-N 415.425 0.677 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1C#N 747498207 OXYOGRULVJSZLF-UHFFFAOYSA-N 406.395 0.608 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)C1=O 752320591 PUEDYSIEOAUZHH-STQMWFEESA-N 408.455 0.725 30 20 HCED N#Cc1c(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cccc1S(N)(=O)=O 754976426 JVRJXCAIJVTAKK-UHFFFAOYSA-N 413.459 0.390 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 763766152 DVKNBZRYDJHDAW-UHFFFAOYSA-N 409.431 0.884 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1=O 767532471 OURRFUDBSCXWPD-QGZVFWFLSA-N 413.500 0.988 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1 767882306 SNJQSGGVWNGJII-UHFFFAOYSA-N 424.507 0.717 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)CO)c1 771241002 DXENDHXHIWPKJT-RCCKNPSSSA-N 410.496 0.573 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C)ccc1OC(F)F 771892692 UNCPQMNPIBFVQV-UHFFFAOYSA-N 416.406 0.696 30 20 HCED C#C[C@@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCCO1 775793697 NBHIBPDGNJNGLP-IEBWSBKVSA-N 405.520 0.987 30 20 HCED C#CCN(C(=O)C(=O)Nc1scc(C2CC2)c1C(=O)OC)[C@H]1CCS(=O)(=O)C1 783481166 ODHFMTSMOARSKM-LBPRGKRZSA-N 424.500 1.000 30 20 HCED CNS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784424350 AHQHVQQYMHXHPS-XMHGGMMESA-N 417.513 0.170 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)C1=O 801039113 JVGCJDSNZNOSMS-IBGZPJMESA-N 408.455 0.727 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccc3c2CNC3=O)C1 806970952 KBARRTGJWLHTMJ-XHDPSFHLSA-N 413.434 0.744 30 20 HCED CN(C)c1c(C=NNc2nc(Br)cn3ccnc23)c(=O)n(C)c(=O)n1C 807975149 HSGXJMMNJFDOCO-UHFFFAOYSA-N 421.259 0.401 30 20 HCED COc1c(F)cc(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1S(N)(=O)=O 915546176 UQBRYOCHADUNAI-KRWDZBQOSA-N 415.443 0.622 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNc2ncnc3c2cnn3C)CC1 915962850 WZVDPDLHNNODTC-UHFFFAOYSA-N 403.472 0.956 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 918477644 JGWXVTATPBKVSM-HDHZYAPQSA-N 421.523 0.648 30 20 HCED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 1003117028 LEVDBIUFIOAEBD-SJQORLFUSA-N 400.523 0.494 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)c[nH]c1CC(N)=O 1006386816 XPCYAFROCXBYNB-VJDWVQAOSA-N 400.479 0.804 30 20 HCED C=CCCO[C@@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1073582877 IVVVWSDOPDTUFH-LBCBGTHCSA-N 403.523 0.746 30 20 HCED COC(=O)CSCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116064494 VALOKTSWXUIPRX-CQSZACIVSA-N 404.448 0.786 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1288170573 REWUWIJKNXKVNH-CYBMUJFWSA-N 410.500 0.112 30 20 HCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1313498231 KXQKGWBNGYPRPP-QGZVFWFLSA-N 409.450 0.984 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)C1 1316533013 XXSQLXRUIUWANU-GOSISDBHSA-N 419.486 0.741 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1319552632 RMRWGVFPIZGXCK-CQSZACIVSA-N 404.496 0.548 30 20 HCED N#CCN1CCC[C@H](CNC(=O)CCCC(=O)NC[C@H]2CCCN(CC#N)C2)C1 1330806864 KPEQVWSTZCYTED-RTBURBONSA-N 402.543 0.860 30 20 HCED CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1503287450 VXQOVJMTXYGRDW-QGZVFWFLSA-N 424.506 0.521 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@@H](C)C1 1503833340 INCLWOCXIPXEJB-AWEZNQCLSA-N 404.496 0.981 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1503833415 KUPNZJFIMULNIU-UHFFFAOYSA-N 417.495 0.034 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)CCO1 1521130612 YLPXMOGPYBMAGH-VXGBXAGGSA-N 402.377 0.927 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1541803874 NMAVPFOLFCSUOT-GJZGRUSLSA-N 412.585 0.967 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN2CCCO)CCO1 1555995009 MHQHMXHVQLFPLA-OALUTQOASA-N 411.510 0.839 30 20 HCED CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1609532701 RJJWMIIGSIYYON-UHFFFAOYSA-N 416.507 0.966 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cn1 1622349928 RCWZPRMQXNQPJA-UHFFFAOYSA-N 412.518 0.929 30 20 HCED CN1CCC(N(C[C@H](O)CC(C)(C)C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1623897468 SQLYUYXZYQATLO-QGZVFWFLSA-N 419.526 0.931 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(CCC(F)(F)F)C1 1635765206 SVAYXPJXFIBRKG-NSHDSACASA-N 418.397 0.806 30 20 HCED N#Cc1cccc2c1CCN2C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1638474700 PDSUOFGTWWZLPD-UHFFFAOYSA-N 410.455 0.882 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CO)(NCC4CC4)CC3)CC2)o1 1654672336 PVTGKTACDIXPDS-UHFFFAOYSA-N 416.526 0.330 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 1662687496 PLMNURAPIYQLOD-OLZOCXBDSA-N 423.557 0.878 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1692522865 JJUIFBDLQGHZAU-GOSISDBHSA-N 407.450 0.140 30 20 HCED Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1693192117 ZAWBYJLJHQFTBE-QZTJIDSGSA-N 420.470 0.640 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccn(C)n1 1706880895 ZPQVBSPIDRYALX-SUMWQHHRSA-N 406.516 0.800 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cn1 1706890684 PJNAEESPYJPNFU-RISCZKNCSA-N 409.447 0.199 30 20 HCED CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1711508076 OLPVFIPQQLAQBT-AWEZNQCLSA-N 404.496 0.933 30 20 HCED 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O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1783566742 GQYVSXNKCFIEOL-HXUWFJFHSA-N 409.402 0.003 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@@H]3c3ccc(F)cc3)[C@H]2C1 1783890459 FSBVVNPVSSWGRJ-DZRGKWQISA-N 414.433 0.997 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3nccs3)C[C@@H]21 1784482885 UKYSEDXRZPOOOI-QEOTZNIISA-N 420.535 0.962 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1cnc[nH]1 1785998226 POCPTNCOEUCGIU-BQFCYCMXSA-N 400.479 0.702 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csc(N)n3)[C@H]2C1 1786914221 ULGMHDGDCOLNIU-NZBPQXDJSA-N 408.524 0.892 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1788573136 WNNIHYGSCBOUPQ-NZBPQXDJSA-N 420.466 0.054 30 20 HCED COc1nccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342953 UPEIALFTXUPDQF-DZKIICNBSA-N 410.434 0.592 30 20 HCED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1790868804 MKKRSEUMDCSQHR-UDDICAGYSA-N 412.490 0.985 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1sc(C)nc1C)C2 1792485785 RDHGUUYKRHDVLG-ZBMGOPDBSA-N 418.519 0.822 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1793630200 PQDVTMDJVPFOMA-QKPAOTATSA-N 418.494 0.889 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)c1 1794368718 LIZQKCNMOYCORZ-JLVBRIDZSA-N 421.413 0.563 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)c(C)nn1C 1794499002 YQYLCYWTNLGKSS-HGTKMLMNSA-N 409.462 0.872 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795677948 JWUXWDCYBVJAAM-OMNJKAEPSA-N 400.479 0.099 30 20 HCED C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)nc1C(F)(F)F 1795997672 ZTHATKYWTRIDCI-NJBDSQKTSA-N 412.368 0.556 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnsc1C1CC1 1796641945 XNNAJVCGYKTMAY-MHEUCROKSA-N 404.492 0.657 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1797648604 FLGBWUKSNVGZOP-APAFKAMOSA-N 407.511 0.496 30 20 HCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc1=O)C2 1797837023 KSLVFAWKGMHBKD-FPVUGKTCSA-N 412.446 0.150 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H]3CNC(=O)C3)C4)c2c1 1800876536 YGLQDOYNCMJQQD-XQLPTFJDSA-N 406.446 0.822 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1800980410 ITFUJZBLRCXXER-NIFZNCRKSA-N 413.540 0.904 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1802036854 IJTHIGWGAJTZFZ-MWTISTBLSA-N 410.515 0.682 30 20 HCED COCCOCCOCCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)S)C2 1802100012 KZDSCXNYVZCLSV-NXOAAHMSSA-N 418.556 0.639 30 20 HCED 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HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 1823742635 CDAWPXXZFOINQC-MHEJJFAZSA-N 416.522 0.743 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824529606 SBRAUUBFCKJURS-CHWSQXEVSA-N 415.475 0.350 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)CC(N)=O)CC1 1824586174 JEAOZSWOQVRHJX-GVWYBQPMSA-N 418.538 0.976 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825071740 SHFQSMDXTUFISC-PVAVHDDUSA-N 418.494 0.243 30 20 HCED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2)C(F)(F)F 1825261885 SDRGKYSKYLZXGT-IUCAKERBSA-N 419.429 0.766 30 20 HCED C[C@H](Cn1cncn1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667878 ZNLFXWGLCSMVNH-GHMZBOCLSA-N 402.436 0.071 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCCO2)CCO3)c1 1829922685 WOSPRLFCJPNPEX-XLIONFOSSA-N 402.451 0.525 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1831438230 MVOVGODRLVDBJB-DBXWQHBBSA-N 420.510 0.567 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(OC)n1)CCO2 1832772418 MYZKBWGAHBFRGF-JOCHJYFZSA-N 415.490 0.893 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1833477764 FFQPLYUBPYSBTJ-HNNXBMFYSA-N 417.510 0.546 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833552070 IGBSCUCAPXDZAX-FZKQIMNGSA-N 413.858 0.989 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c(F)c1 1833630825 CMGLYJRYBQFQNA-LJQANCHMSA-N 406.414 0.603 30 20 HCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)n[nH]1 1833820629 JXALKVSIOSLFDQ-LPHOPBHVSA-N 424.523 0.637 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1835102743 ZUQFKJXTUCGNGU-QHCPKHFHSA-N 422.485 0.850 30 20 HCED COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC#N)CCO3)cn1 1835355033 PJRAKBGXBHIHJU-OAQYLSRUSA-N 416.478 0.783 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835656675 QHAIDHNOYCLLQL-MRXNPFEDSA-N 420.482 0.671 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c1 1835857165 NBHFOCSEMAFOJA-HXUWFJFHSA-N 411.418 0.371 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836709925 JYLFQDHQIDOGQC-YOEHRIQHSA-N 418.412 0.824 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836866312 GKMVIHIHQCWKSY-HXUWFJFHSA-N 412.450 0.349 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1836882412 BOLROHAWZMXBBR-FQEVSTJZSA-N 412.450 0.349 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837397998 YUGJDFDJMHLZBI-IFXJQAMLSA-N 424.523 0.368 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837413677 ADYXDDDULPISAI-HWIIHTTPSA-N 417.462 0.848 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447922 YDXOYXOZNCYDEG-ODAUKNCYSA-N 404.511 0.718 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1837524547 JBOHPJUZCJWFMY-OMFIOPNZSA-N 421.454 0.009 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837691441 QEMOMUOONMAKBN-ZRGWGRIASA-N 409.508 0.184 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838015478 PXTKQDIWWDPKEX-JOCHJYFZSA-N 423.473 0.915 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839552882 ABPKMCXMUWIQAQ-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839651489 HAIDEHWEEIAHOV-IERDGZPVSA-N 418.494 0.783 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(F)cccc3F)C2)C1 1840043266 ONIIRIKAZAIWLL-FQEVSTJZSA-N 422.384 0.052 30 20 HCED COc1cc(C)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043763 SNJSUCAWSSVPFM-OAQYLSRUSA-N 416.430 0.162 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840799444 YZQVBVUNARDWLP-OAQYLSRUSA-N 414.462 0.177 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1ccnc1 1840812527 WBXDNYCMMXYJGD-JXFKEZNVSA-N 401.467 0.594 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820179 CXQYYWXFZFBAFO-FOIQADDNSA-N 419.503 0.712 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncc(OC)c3)C2)C1 1840840425 RXCLAYSRVLNIAL-JOCHJYFZSA-N 415.490 0.893 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846970106 NBGYTDAYAZJXHB-AWEZNQCLSA-N 405.455 0.262 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](S)C(C)C 1847827082 MZLYUBMVCROZIB-QZWWFDLISA-N 407.540 0.613 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 29193855 SZSKANKWYJNDEO-IBGZPJMESA-N 401.492 0.673 30 20 HCED C[C@H](C#N)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 429653067 OEHXHSDRGZHUFN-MWLCHTKSSA-N 406.386 0.646 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(N2CCOCC2)CC1 434599379 XSUNEBHTBHEKIQ-UHFFFAOYSA-N 402.451 0.503 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1 436131840 QWIAPBSDNHOLGH-HLLBOEOZSA-N 422.507 0.647 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 441918045 FJLHPYYRVWZFIA-ZDUSSCGKSA-N 419.528 0.273 30 20 HCED N#C[C@@H]1N(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCC[C@@]12CCCCO2 468636759 DSPWDEKTHKZXNW-UCYZUVGJSA-N 401.463 0.993 30 20 HCED CC(C)[C@@H](C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 470350240 USPDQKGGEAXCQG-QGZVFWFLSA-N 406.508 0.964 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 473937935 NPWHTKSZPXMQDQ-GOSISDBHSA-N 402.411 0.632 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cn1 475624236 MAOKQWNKFYWAOR-UHFFFAOYSA-N 417.857 0.663 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)C1=O 477271818 DMODAYCAOGWLNU-UHFFFAOYSA-N 421.413 0.927 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccncc2)no1 480118339 OIYMIDRQQRPALT-LBPRGKRZSA-N 412.431 0.986 30 20 HCED CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1 480427791 OQUYHIATEHNARS-QAPCUYQASA-N 408.524 0.698 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)NCc1cccnc1 481498153 YDBLJIIEDMCVGN-AWEZNQCLSA-N 415.475 0.443 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](C(N)=O)Cc2ccccc21 481536574 DRBQVJUSNQVBQI-XJKSGUPXSA-N 412.471 0.916 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2OC)c1=O 481578979 FXELIJWYXFRZOA-UHFFFAOYSA-N 417.512 0.528 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC 481985170 WXZYTJZFLHMKIR-UHFFFAOYSA-N 416.528 0.909 30 20 HCED C=CCN1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)CC1 487474378 HWLOQQIRTITNMA-KRWDZBQOSA-N 402.561 0.719 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 487761276 WPKAJYMQLOZQPY-RDJZCZTQSA-N 408.524 0.434 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1=O 488674815 HYMKBLFHUISWTL-KRWDZBQOSA-N 407.430 0.596 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cn2cncn2)cc1 490069974 GEXWYHQPJHCSLK-ZDUSSCGKSA-N 406.468 0.228 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 507672728 BUYDDXJHTGQXFU-KGLIPLIRSA-N 408.480 0.730 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br 508996187 NBPIYZDYJVWMRC-UHFFFAOYSA-N 419.239 0.388 30 20 HCED N#CC1(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 519133754 XXSNKAUBXCZMDH-UHFFFAOYSA-N 404.492 0.720 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC#N)CCC#N)cc2)CC1 519284459 ACJWNADPLZYMGF-UHFFFAOYSA-N 417.491 0.809 30 20 HCED Cc1nn(C[C@H](O)COc2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCOCC1 535121744 TVAATOVMHAJKFM-KRWDZBQOSA-N 420.491 0.832 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 549203029 LTCRVEQASPYXDI-QGZVFWFLSA-N 402.470 0.752 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1)C(C)C 550835163 JXDHOTXXSMOROV-QGZVFWFLSA-N 414.572 0.295 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)n1 553701031 PHGYMCTZXCDIOL-UHFFFAOYSA-N 417.495 0.824 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 554306245 UCNJVWWFAZZGHQ-MRXNPFEDSA-N 403.479 0.963 30 20 HCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C1 559545250 KMGQKISXANMGFW-IYBDPMFKSA-N 412.494 0.540 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 560877027 YTJRLVXCMVISFX-QGZVFWFLSA-N 423.477 0.172 30 20 HCED COCCNS(=O)(=O)c1ccc(-c2noc([C@H](C)n3cnc(C#N)n3)n2)cc1 569620971 INSRMLYYWTUWNZ-NSHDSACASA-N 403.424 0.734 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 577531526 IFUHLGBVIHYPQJ-UHFFFAOYSA-N 410.544 0.950 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)nc1 585682362 HXPURSWFFPRYCF-UHFFFAOYSA-N 400.464 0.163 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 585696915 SKOKTMCVBHGMDM-UHFFFAOYSA-N 410.434 0.792 30 20 HCED Cc1ccc(NC(=O)C2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)nc1 588126733 QPYVSGOGZSBDKE-UHFFFAOYSA-N 412.494 0.671 30 20 HCED CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588258436 HAUKULAGEWRAPE-MOPGFXCFSA-N 411.506 0.766 30 20 HCED C=CCN1CCC(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 606511503 YUKIWJSDVAEABD-UHFFFAOYSA-N 415.542 0.795 30 20 HCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 608911479 HHKGMLVIIXSJHU-UHFFFAOYSA-N 410.480 0.598 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609108094 LZBQRNWKZPBZPH-WBVHZDCISA-N 404.492 0.289 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 609128955 YOMGOZPYRGLGAL-MOPGFXCFSA-N 415.469 0.662 30 20 HCED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCN(CC#N)CC2)c1 730553557 MVNPSYCSNFHHKG-UHFFFAOYSA-N 414.915 0.982 30 20 HCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733275240 IPABRYIBPAGPDI-CHWSQXEVSA-N 415.537 0.785 30 20 HCED CCc1nn(C)c2n[nH]c(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c12 734470395 CKGISTGQGYDVMX-UHFFFAOYSA-N 401.452 0.926 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c1 741737339 MJKORCOPLMTYRC-UHFFFAOYSA-N 412.431 0.835 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cn1 746375749 CNBVVDMCYFYGLJ-CYBMUJFWSA-N 411.340 0.920 30 20 HCED Cn1c(=O)c2cc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)cnc2n(C)c1=O 746944187 YLLJVLUKBSQCHQ-UHFFFAOYSA-N 418.369 0.911 30 20 HCED COC[C@@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 747450629 BEMMJOPJNFGGEL-IBGZPJMESA-N 406.508 0.707 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)NCc1ccc(N2CCCC2=O)cc1 747961464 OKUBDXDHIJBLBR-UHFFFAOYSA-N 413.522 0.977 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C#N)cs2)c1=O 748645673 RHRVTGLCGZZWKV-UHFFFAOYSA-N 416.528 0.765 30 20 HCED C[C@@](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)(C(N)=O)c1ccccc1 749383950 TVQSQAYHHUZYPT-IBGZPJMESA-N 400.460 0.632 30 20 HCED C#CCCN1CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 749652038 CKCOVFVYKDMHLH-UHFFFAOYSA-N 411.549 0.614 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750367836 VCFOKDCPLCXZPD-CQSZACIVSA-N 400.435 0.483 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1Cn1nnn(C2CCOCC2)c1=S 756874835 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UYCOJZORVFJLKD-FQEVSTJZSA-N 416.434 0.897 30 20 HCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)(C1)C2 1835362457 LHZGXYBXIXIOTK-SOAGJPPSSA-N 405.451 0.090 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835369953 AGFWIJQIVLAGRA-UZLBHIALSA-N 408.520 0.978 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835378033 MECPGVHTMNNXBZ-NQIIRXRSSA-N 424.542 0.730 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835969734 TZYZQGMQYCFTSY-IBGZPJMESA-N 406.870 0.406 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1836870451 JQYPTVKUXKEUMU-CVEARBPZSA-N 407.511 0.712 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C(=O)c3ccco3)CC2)CC1 1837111950 QTFKQUWHDXBTHU-UHFFFAOYSA-N 402.403 0.549 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837476640 ZHPDORKYLBJDCO-FOIQADDNSA-N 416.482 0.283 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1837530400 MBINPQMSHILHMC-KNNTVDRYSA-N 413.446 0.474 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n[nH]1 1837583228 IATWSXYQXWLBMT-MJGOQNOKSA-N 410.540 0.671 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(Cl)nn4)CCO3)C2)CC1 1837833632 DSWOVRPGYKLSTP-GOSISDBHSA-N 405.842 0.504 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838405038 MWKHQLXOSTXSAF-JOCHJYFZSA-N 421.538 0.439 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838667821 YQBVRJBZBYYKHX-HRAATJIYSA-N 417.462 0.204 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3OC)CCO2)C1 1838874498 KZZCFTAJNXZKJO-HTAPYJJXSA-N 416.474 0.804 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(F)cccc1F)CCO2 1838996097 BEPBMLYZPRKTGC-HXUWFJFHSA-N 422.384 0.052 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1839228863 QZLKCNNNLGFRCP-FRQCXROJSA-N 422.486 0.096 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c1 1839452203 MPLZHHNBKKLTIV-NRFANRHFSA-N 424.461 0.677 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C(=O)OCC)c3F)C2)C1 1839808813 CHUDBUNQXVLKDY-NRFANRHFSA-N 418.421 0.706 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840158431 LJKBOQPJWUXGDV-KUHUBIRLSA-N 408.524 0.536 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1840173105 BYNUEGDRGHZLNI-LJQANCHMSA-N 404.423 0.944 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@]3(F)Cl)CCO2)C1 1840245388 KKXMKQUFMFYYOJ-SPLQCWDRSA-N 418.893 0.940 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCC1 1840814119 PPLKEGNXLUTDSA-DUYDGHCJSA-N 417.510 0.608 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840820555 WIZGTQUSPMHCLO-FQEVSTJZSA-N 417.437 0.896 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1841615587 HHJQCDASNWFPNM-OAHLLOKOSA-N 403.504 0.985 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c1 1841892908 GTHOFJBYAQBKGS-AWEZNQCLSA-N 409.446 0.682 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)c1 1842874952 LTSGVEXXUJBVOM-UHFFFAOYSA-N 410.342 0.239 30 20 HCED CN(CC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1)C(=O)C(=O)O 1843419354 XCQDCMSEKWPTFT-AATRIKPKSA-N 419.459 0.233 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1844238941 GZEAGJIJYVVMSA-DOTOQJQBSA-N 414.506 0.976 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582004 FOISQBKGVTUGOZ-ZDUSSCGKSA-N 406.446 0.942 30 20 HCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847344167 LKLVNSYSWNTMAB-UBDQQSCGSA-N 412.490 0.917 30 20 HCED CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cn1c(=O)c(C#N)cn(CC)c1=O 10854669 MSQIOWOCNWMPKN-UHFFFAOYSA-N 400.435 0.967 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 25269598 IZWBGTPKIXUQNQ-UHFFFAOYSA-N 409.489 0.728 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 409544335 KNAWSFFNCFAUOO-GFCCVEGCSA-N 419.529 0.324 30 20 HCED COc1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c1OC 409583648 GHZVPTSVOJPXFU-AWEZNQCLSA-N 410.496 0.798 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccnc2C#N)cc1 428249132 XAERPSLXUBMSKP-UHFFFAOYSA-N 410.477 0.356 30 20 HCED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)NCc3ccc(C#N)cc3)n2)c1C 434589716 VHRGAHMLSXENBM-UHFFFAOYSA-N 419.445 1.473 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)C1=O 440274544 HNFHAYWIRCNLKE-AWEZNQCLSA-N 415.479 0.568 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 443393632 NSPQKVQAJXKSAV-MAUKXSAKSA-N 415.494 1.449 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](O)[C@@H]1C(=O)OC 445192672 JXVPGKCQRNXUHN-GDBMZVCRSA-N 405.407 0.047 30 20 HCED CCOC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1C 446525586 YOQDYDLPFOGEAU-UHFFFAOYSA-N 405.455 0.215 30 20 HCED CC(=O)Nc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1F 446526464 KVOXSYIRXOPBEH-UHFFFAOYSA-N 405.430 0.797 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)CC2)c1C#N 469867915 YWODWFJCIDFKNL-KXBFYZLASA-N 424.509 0.510 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@H]1CCS(=O)(=O)C1 472159674 RIZQIEOLIBZSEU-CVEARBPZSA-N 422.555 0.146 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(C(=O)O)c(F)c3)CC2)c1C#N 472351591 TZTMIOSJBZCSKC-UHFFFAOYSA-N 407.427 0.948 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3F)CC2)c1C#N 472353313 ZHPRXLKDHGBAHS-UHFFFAOYSA-N 407.427 0.948 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](C)C2)CC1 480877852 JJOCOJNNFCDNNU-QGZVFWFLSA-N 407.559 0.060 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c(C#N)cn1CCOC 481443011 XQAFWMRSQQATQU-QWHCGFSZSA-N 407.427 0.337 30 20 HCED C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)OC 481751876 CBFMALDJLMPJOA-NVXWUHKLSA-N 410.492 0.948 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)n1 484570906 SGOVLHCOQXDSDU-UHFFFAOYSA-N 421.259 0.966 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 488107839 NKDYTRKAXZIJLO-MJGOQNOKSA-N 411.524 0.670 30 20 HCED CCN(C(=O)Cn1cnc(C#N)c1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 499486015 SFKNKUOJMMRNIB-UHFFFAOYSA-N 418.417 0.572 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503993884 LPTJGBKREKBABH-KRWDZBQOSA-N 419.507 0.777 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1 505717845 ZLKFPJAEPKURBX-RHSMWYFYSA-N 424.465 0.628 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 509235980 FTRIDENACAZDSG-ZOBUZTSGSA-N 400.524 0.991 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 510613691 JLGXPOHQRQFFII-NSHDSACASA-N 402.489 0.314 30 20 HCED C[C@@H]1CSC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512209419 AXXOIHNCUWHRMS-GDBMZVCRSA-N 408.549 0.732 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2C(=O)OC)CC1 513253568 BCWWARATCCEJTA-UHFFFAOYSA-N 402.451 0.167 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)C1=O 514837326 MFXMFDOZQKVTOG-HNNXBMFYSA-N 413.434 0.269 30 20 HCED CN(Cc1nnnn1CCOCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 519520555 CICUKMPQJZDIDO-UHFFFAOYSA-N 404.374 0.944 30 20 HCED C=CCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)[C@@H]1CCS(=O)(=O)C1 520063697 OOGHWWSBESJCCC-ORIJERBGSA-N 401.554 0.914 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncnc4ccsc34)CC2)C1=O 525549229 ANINGNRRYYIGOS-UHFFFAOYSA-N 414.447 0.317 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 532869734 RMBRMQONKXWQCT-MRXNPFEDSA-N 418.450 0.579 30 20 HCED Cc1cc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)n(CCC#N)n1 533008335 KSRHPQQPIINEHV-UHFFFAOYSA-N 423.521 0.978 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 533045350 IDCNVONBBGKMOP-UKRRQHHQSA-N 412.487 0.969 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(SCC(N)=O)s2)CC1 537070468 FLUBFQHJOUQXEN-NSHDSACASA-N 414.582 0.900 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)n1 542074681 CCJVEMKVWQTBSQ-UHFFFAOYSA-N 421.866 0.983 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCNC(=O)Cc1cccc(F)c1 543758207 COGYHCCPSFJOJF-UHFFFAOYSA-N 401.446 0.936 30 20 HCED N#CC1(CS(=O)(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CCCC1 546062877 CTZPVPIEYGECMI-UHFFFAOYSA-N 420.557 0.031 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1ccc(C#N)cc1 551563689 NPAGJDSODVAOCQ-UHFFFAOYSA-N 402.432 0.682 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 552902522 NFQTZLPXSBLPSE-CQSZACIVSA-N 419.463 0.500 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)CC1 553397795 YOKKSCHYKJGEAP-UHFFFAOYSA-N 421.586 0.546 30 20 HCED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 561029984 DGWWXWHMKMPGNQ-HNNXBMFYSA-N 401.467 0.574 30 20 HCED N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(OCC(=O)O)cc2)CC1 564515401 GENZLXLPJYXCGN-UHFFFAOYSA-N 402.432 0.928 30 20 HCED Cn1nnc2c1C[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 567087437 WDMPKVVULULKLB-OAHLLOKOSA-N 414.491 0.325 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 573999286 XVXDIHACUOPCKR-HNNXBMFYSA-N 407.496 0.582 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1F 584381253 OFSWAHBNIJTYHY-GFCCVEGCSA-N 408.455 0.956 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 586806236 HOANGCYFCZOUDJ-UHFFFAOYSA-N 422.898 1.512 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 586882628 GOINJITWHARNSY-MRXNPFEDSA-N 423.514 0.217 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)n1 589393083 WDMKPSAFSKPVKS-INIZCTEOSA-N 423.477 0.791 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)cc2)c1=O 603793263 MWHSDMWHRTVOMA-UHFFFAOYSA-N 401.463 0.891 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 608890251 LAZVGJYUMGSPAP-UHFFFAOYSA-N 419.441 0.176 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608925393 JISRSZXOZIXZBE-OAHLLOKOSA-N 409.494 0.999 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 619565307 ACNGNIHKTIQMNI-GJZGRUSLSA-N 400.522 0.864 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CCOc2ccc(S(N)(=O)=O)cc2)c1 726380780 DGARBULXBRBEQM-UHFFFAOYSA-N 401.444 0.839 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1OC 729430357 WHUTYKAXFABYNQ-CQSZACIVSA-N 409.402 0.644 30 20 HCED COc1cccc([C@H](C#N)NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1OC 729431186 BVMQJIUFCGKGTB-NSHDSACASA-N 412.406 0.693 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 729491131 UFSODRAJCDJORH-AWEZNQCLSA-N 411.480 0.837 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1CCOC 729671857 QARUINFQLRYFSK-UHFFFAOYSA-N 413.499 0.519 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nnc(S)n3C(C)C)CC2)C1=O 731638832 ODRJOBBSNLVMNQ-UHFFFAOYSA-N 420.495 0.831 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(CN2CCOCC2)c1 732449569 MPBQGNSXIPYRIL-FMQUCBEESA-N 413.478 0.844 30 20 HCED C#CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 733162848 ZNSXGLCBGQCLBZ-INIZCTEOSA-N 420.491 0.773 30 20 HCED CNC(=O)NC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733829959 CHJNHYBWHDTGCE-GXFFZTMASA-N 401.379 0.151 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@H]2CCOC2)CC1 740384849 BRXJJXYQTPVDET-OAHLLOKOSA-N 421.475 0.361 30 20 HCED CCOc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC(=O)NCCOC)c1 743735363 GOMPYRVPBJWZTD-OAHLLOKOSA-N 422.507 0.916 30 20 HCED Cc1cccc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1C 746363285 QPVYNMJEORNYEX-UHFFFAOYSA-N 423.477 0.745 30 20 HCED S=C(NCCN1CCOCC1)NN=Cc1cnc2cnc(Br)cn12 746367209 ZELJUXXGNDFTLO-UHFFFAOYSA-N 412.317 0.622 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(COC)CC(=O)OC)ccc1F 749427442 JRHLBABOCVTXKV-QGZVFWFLSA-N 402.444 0.988 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 755778349 JPCDGWYIKMDDBQ-AGIUHOORSA-N 401.485 0.502 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 757151671 RYMGJVPLRAKYII-NSHDSACASA-N 404.427 0.486 30 20 HCED CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)n(C)c1 771081317 VWVXKJMIENJGPS-UHFFFAOYSA-N 416.525 0.809 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 773794287 UFJAMHNESVOPJK-DLBZAZTESA-N 405.476 0.707 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@H]1O 774407269 VUIBDNMWXVWMNW-NMXWQETNSA-N 408.480 0.277 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H]1CCCO1 775806954 PCFPCGSPNMCNIA-MSOLQXFVSA-N 409.483 0.429 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 784708872 DLJQSOOFFSDLIZ-HZPDHXFCSA-N 402.451 0.501 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 784768426 LQGDZNOUSOSJJI-OAHLLOKOSA-N 419.434 0.560 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 785065836 LOJGGTLQCFKMJS-YUNKPMOVSA-N 413.434 0.753 30 20 HCED C=CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 786445504 TWJHUZMEIMMNLA-UHFFFAOYSA-N 424.475 0.719 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCn2cnc3ccccc32)n1 786986450 RWHDXILRHYCYKJ-UHFFFAOYSA-N 408.462 0.657 30 20 HCED COc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1[N+](=O)[O-] 787572597 XXQAPEADXRXFNN-LLVKDONJSA-N 404.379 0.827 30 20 HCED CC(Cc1ccccc1C(F)(F)F)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 794858203 ZCCWOWFMZCNFBG-UHFFFAOYSA-N 418.397 1.000 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)C(C)C 799273418 VKSPGWWZFBJGFA-SFHVURJKSA-N 420.535 0.725 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1(S(C)(=O)=O)CCC1 799703397 HBJHSSBXPFMAFH-LBPRGKRZSA-N 400.478 0.736 30 20 HCED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCNc1ncccc1C#N 801686786 ACTWYALABFGURB-UHFFFAOYSA-N 410.477 0.756 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@H]1CCCO1 809306762 UZAOKFTWBGZOHP-RBUKOAKNSA-N 415.465 0.978 30 20 HCED CCOC(=O)[C@@H](F)C1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 817657058 OHILCZASMSCCPR-INIZCTEOSA-N 411.455 0.865 30 20 HCED Cc1oc(NC(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c(C#N)c1C 913375429 RCESMGAINPCQRH-UHFFFAOYSA-N 411.374 0.509 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 916870328 GPSYLBZZHZMIHM-HNNXBMFYSA-N 410.496 0.675 30 20 HCED C=CCn1c(Cc2noc([C@@]3(C)CCN(C(C)=O)C3)n2)nnc1N1CCOCC1 1116589570 LXSHMFRYIZFIOH-IBGZPJMESA-N 401.471 0.784 30 20 HCED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1137269007 YGEWLLUARQZXTA-QZTJIDSGSA-N 411.462 0.616 30 20 HCED COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1299366068 QGBFSOWUPJSQMJ-UTKZUKDTSA-N 410.478 0.883 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1303412404 XOWAMEFWEZGOGL-ZDUSSCGKSA-N 403.418 0.758 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1310558694 ZVRFISKFESVOQI-GXTWGEPZSA-N 414.509 0.870 30 20 HCED CN1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)C1 1314926827 IVBBSIYLORFZEJ-WOJBJXKFSA-N 401.515 0.597 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(CN3CCN(C)CC3)c2)C1=O 1318530920 IHPMXNCHRHBLBV-UHFFFAOYSA-N 413.478 0.027 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1321408406 MLEYKFPAAVPYHV-HNNXBMFYSA-N 410.500 0.322 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)n(C)c1=O 1460982518 JZMYGWDKOAXNGQ-MRXNPFEDSA-N 406.446 0.889 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)N2CCCC2)C1 1469729635 NXQVUGHJKHJGGL-KGLIPLIRSA-N 415.516 0.470 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ncn(C)n1 1510200920 UDHJXCVOMLPTBN-MLGOLLRUSA-N 407.504 0.195 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1519165166 NPENZKWGQPGFGL-INIZCTEOSA-N 406.487 0.397 30 20 HCED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1554421041 NXCXDWUQUJPNKR-AVRDEDQJSA-N 423.521 0.846 30 20 HCED N#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1587542003 MWYYANVHJDMZKW-QGZVFWFLSA-N 406.508 0.815 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)cc1 1622507663 MKENFPNCPHGHOK-UHFFFAOYSA-N 400.526 0.596 30 20 HCED CCOC(=O)[C@]1(Cc2ccccc2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1638494955 XVQYRSVGJGTOAR-OAQYLSRUSA-N 410.430 0.988 30 20 HCED C[C@@]1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CCN(C(=O)OCc2ccccc2)C1 1639916844 KNXGCZDJKKQVDV-HXUWFJFHSA-N 411.418 0.738 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(N3CCOCC3)c2)c1 1641611767 QLNBMFFMIVDTNH-UHFFFAOYSA-N 414.487 0.990 30 20 HCED COc1ccccc1C[C@](C)(CO)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1641753226 TWFDGIXPQKJKNA-HXUWFJFHSA-N 417.487 0.955 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccn(C)n1 1767389080 DGIZCQYVPNQRFW-UHFFFAOYSA-N 414.495 0.584 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1779016065 LSCPMJYUGUQEMH-IYHCKTHZSA-N 402.499 0.644 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1779024859 WQTKAPDFSUOTGT-VLIAUNLRSA-N 403.435 0.720 30 20 HCED COC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359259 CLRDIFCWWJYFCH-HETGDWHASA-N 422.526 0.925 30 20 HCED COC[C@H](NC(C)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1779552869 DRJHODBOPKDPTQ-RZQQEMMASA-N 408.499 0.201 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779947461 OTQAODAGOSCENG-FQEVSTJZSA-N 412.471 0.613 30 20 HCED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c([N+](=O)[O-])cc1O 1780195594 ADEQSHSIWRRSKS-GOSISDBHSA-N 404.379 0.666 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C2 1780802796 JNCVEKACNJGIGO-ZFCANOHDSA-N 410.515 0.813 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781560696 QMHQKNBCCONTOC-DNVCBOLYSA-N 417.422 0.184 30 20 HCED Cn1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c2cccnc21 1782010430 NZGFOEZZLPKSHW-VGOFRKELSA-N 424.457 0.789 30 20 HCED 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COC(=O)Cn1ncc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1C 476749785 VVDQXSLQHKYWOC-UHFFFAOYSA-N 405.436 0.809 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C#N)c1ccccc1F 476751082 WCHJDUOGROBGCI-MEDUHNTESA-N 404.423 0.972 30 20 HCED COCCn1nnc2c1CCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C2 476905957 QHNWFYSCAZMKDP-UHFFFAOYSA-N 400.443 0.271 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)NC)C2)cc1 478823849 BQBIBOMIFDGBTM-AWEZNQCLSA-N 422.507 0.416 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 479526959 BTPFSMRDBPYAKT-SFHVURJKSA-N 413.522 0.218 30 20 HCED N#Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Br)c1 481086370 DDWDOVRZHWGJQM-HZPDHXFCSA-N 414.325 0.908 30 20 HCED COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 481752022 UBAUQWLEMUSCGE-CXAGYDPISA-N 423.491 0.557 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482236387 GWAGVWFJSOHUHY-INWMFGNUSA-N 409.464 0.404 30 20 HCED CC(C)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1nc(-c2nc[nH]n2)no1 494678047 AXQCFVWDVPBHQP-GOEBONIOSA-N 415.502 0.834 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1 494829035 KFOBIBUXWSIPMA-UHFFFAOYSA-N 400.479 0.927 30 20 HCED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 498184659 QLVCUXANESMAJA-UHFFFAOYSA-N 422.283 0.540 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)N3CCN(C)CC3)cc2C1=O 498501774 CKXHDFRUUCKIBF-GOSISDBHSA-N 410.474 0.847 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1C 504054149 ISLYWUJOOPDBHH-QGZVFWFLSA-N 423.477 0.113 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508846980 SNWOHGRUMGFDQO-KRWDZBQOSA-N 415.542 0.833 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 508999177 GJGFGRONBNGMPJ-CQSZACIVSA-N 402.480 0.748 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 510975787 HSNUWTUNGCGTSQ-KRWDZBQOSA-N 423.477 0.901 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513977744 YKADDGKBKDHCDX-QJNYJZHLSA-N 402.476 0.024 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 519457057 DEQXDHYPQABNCW-OAHLLOKOSA-N 422.511 0.588 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)C1=O 523312228 DRSIFIVSWXXZHK-CQSZACIVSA-N 404.423 0.054 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@H]3CCCN3c3ccccc32)CC1 530920902 AASLOWUQGLVTBL-QGZVFWFLSA-N 411.506 0.448 30 20 HCED C=CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 533387550 IPUDCWDFROVYAO-INIZCTEOSA-N 424.475 0.873 30 20 HCED C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 534565755 PNMQKAAHANHEKK-UPHUGPLXSA-N 419.526 0.808 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 543863203 OGJVEYYKMMLJIA-UHFFFAOYSA-N 402.457 0.847 30 20 HCED C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 550249361 JYYZEXVYSNVWIW-VIFPVBQESA-N 404.370 0.347 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCOc3ccccc3)C2=O)cc1 550365212 VJGMYWGDGWUMML-LJQANCHMSA-N 406.442 0.971 30 20 HCED CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)Cn2cnc(C#N)n2)c1 552765342 HMIKKHIVBVNPOJ-UHFFFAOYSA-N 405.484 0.409 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OC)c1=O 554591683 CCVBPGVYEMUJMA-UHFFFAOYSA-N 415.515 0.983 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 554939962 XVEIVAXCNHSGIR-KRWDZBQOSA-N 406.508 0.884 30 20 HCED Cc1nc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cs1 554958148 SSIDKNMHYZBKAY-UHFFFAOYSA-N 419.532 0.946 30 20 HCED C[C@H]1C[C@H](C)CN(CCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 559792201 GOTWXPBHLBJMHN-GJZGRUSLSA-N 403.531 0.739 30 20 HCED COc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C2=O)c(OC)c1 561548896 QNIBLJDPEPGMSH-BBRMVZONSA-N 410.496 0.731 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 563291407 GABQGFWPKWWHFK-HNNXBMFYSA-N 409.508 0.655 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3cncc(C#N)c3)C2)cc1 566531366 JPRJHZAKDXLKFE-UHFFFAOYSA-N 408.461 0.313 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H](C)S1(=O)=O 566710444 ZQDANAXFNAMHNZ-VXGBXAGGSA-N 419.438 0.856 30 20 HCED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 575830424 DNXHDDNJZMQDGQ-CCKFTAQKSA-N 409.490 0.769 30 20 HCED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 581161987 AXJQPTGAWUYQQS-IBGZPJMESA-N 414.422 0.286 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](CO)Cc2ccc(F)cc2)c1 582331615 XLBLCMUCHBAICU-INIZCTEOSA-N 405.451 0.943 30 20 HCED CN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(C2CC2)C1 588868713 QWSIZWLUSZDXCT-RBUKOAKNSA-N 409.490 0.470 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1C 608913292 QWOHSFGLHWRYDP-UHFFFAOYSA-N 409.493 0.295 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCN(CC)CC3)C2)cc1 609324166 VCWODCFFPKIRKY-IBGZPJMESA-N 413.522 0.779 30 20 HCED Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1S(=O)(=O)NCC#N 609414313 ALVGYUYMATZIEV-QGZVFWFLSA-N 408.524 0.980 30 20 HCED N#Cc1ccc([C@H](N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C(N)=O)cc1 609676780 UQFXHDXAJHXSBE-RXVVDRJESA-N 421.505 0.970 30 20 HCED CCn1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1=O 609941307 PETACVCXIYZSTC-UHFFFAOYSA-N 410.434 0.893 30 20 HCED CCOc1c(OC)cc(C=c2sc(=C(C#N)C#N)n(CCOC)c2=O)cc1OC 725761939 BHMDIMHJZZIMIC-UHFFFAOYSA-N 415.471 0.999 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 728536131 LDRSHTHMHZMUIX-UHFFFAOYSA-N 409.490 0.297 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 741140524 KQWBJIKLTFZYIU-OAHLLOKOSA-N 419.486 0.111 30 20 HCED C#CCNC(=O)COn1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21 747827916 PAKQAIAHIIAABR-KBPBESRZSA-N 405.480 0.276 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)cc1 749729069 VRBMREDQPQOXRW-UHFFFAOYSA-N 407.492 0.910 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN(CC(F)(F)F)C1 750567809 CBAHKAZECFIAQG-LLVKDONJSA-N 404.414 0.726 30 20 HCED Cn1c(=O)c2nc(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[nH]c2n(C)c1=O 751604862 LHJDMEXXEBVTCX-GOSISDBHSA-N 405.411 0.265 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(F)c2)c1=O 758056952 YSOZFZBJRUFOLR-LBPRGKRZSA-N 417.437 0.475 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 758096306 SXGUGZWQVRYPIZ-HNNXBMFYSA-N 415.519 0.240 30 20 HCED CN(CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(C)(=O)=O 758365096 YMXRRMXBINHEIX-STQMWFEESA-N 403.505 0.326 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758769047 OVPOTTZNROXDEE-HUUCEWRRSA-N 408.503 0.161 30 20 HCED NC(=O)[C@@H]1CC[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)O1 760034717 XSZAMIVSUYGMLZ-ZFWWWQNUSA-N 422.507 0.435 30 20 HCED N#CCCN(C(=O)COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 762392958 AEHVFTRTDYTTRB-UHFFFAOYSA-N 414.443 0.974 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cncs2)c1=O 767873391 UOTPOODDNCLMAZ-UHFFFAOYSA-N 415.544 0.219 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1OC 768151178 FOJNMFRJNITEQB-CCINXHDDSA-N 413.430 0.936 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3C[C@H](C)O[C@@H](C)C3)no2)cc1 771226644 XGRWYGJCGIGYCQ-KBPBESRZSA-N 418.475 0.826 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCNc2ncccc2C#N)C1=O 771308255 TYMOFXPPTONBKD-NRFANRHFSA-N 422.445 0.957 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C(C)(C)C(=O)OC)C2)c1=O 771632554 RGCVZCSWMAPXLU-OAHLLOKOSA-N 406.483 0.412 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(C#N)cn1 780452919 CQJOKEYUERXYCM-UHFFFAOYSA-N 403.464 0.565 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c(Cl)ccc3cccnc23)c(=O)n(C)c1=O 781126667 BTVLWKMZBLIYNH-UHFFFAOYSA-N 407.839 0.598 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 781631279 ODPVRSKZVVSFAF-UHFFFAOYSA-N 403.395 0.329 30 20 HCED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(C#N)cn1)CC2 782130995 QFUXPMDTNGAQDF-UHFFFAOYSA-N 413.459 0.457 30 20 HCED CCN1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 784211864 LHTGRNMBGVBGOX-GJZGRUSLSA-N 422.507 0.321 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(CCO)C2)cc1 785207043 UBIFENRUVRIVIU-CAPFRKAQSA-N 408.480 0.279 30 20 HCED CC(C)CN1C[C@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCN2C1=O 785329985 MXMLKTWKYWIEAK-CQSZACIVSA-N 419.507 0.330 30 20 HCED Cc1nc(Cn2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)no1 787518058 BCDUHYVMDVTULP-VXGBXAGGSA-N 402.415 0.507 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc4c3COC4=O)CC2)c1C#N 788078831 ZLXOXVVAJDJGKH-UHFFFAOYSA-N 401.448 0.782 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1CC(=O)c1ccco1)c1cc[nH]n1 789994797 CTPUGQKNGQZIJG-CYBMUJFWSA-N 418.406 0.787 30 20 HCED COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)C2 797379175 MMYHTJGVGLQNGF-PJSUUKDQSA-N 401.419 0.954 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)c1 804082116 UIPZJWPRMYZOFJ-UHFFFAOYSA-N 400.385 0.928 30 20 HCED C#CCNc1nc(N[C@@H]2CCN(C(=O)CC)C2)nc(N[C@@H]2CCN(C(=O)CC)C2)n1 804555519 QPMFAIZVCOBTKL-HUUCEWRRSA-N 414.514 0.762 30 20 HCED CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 815610536 NGDIVFUDSBIBQK-AWEZNQCLSA-N 402.455 0.559 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)n1 815628029 PQQAYXBQFVVWJK-UHFFFAOYSA-N 421.461 0.770 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NCC)CC2)ccc1F 914470762 CCFORQLFVBLMPP-UHFFFAOYSA-N 412.487 0.184 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2ccccc2)cc1 917939227 QRSPQHNXGRYPJR-UHFFFAOYSA-N 417.443 0.575 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CO)CC2)cc1 918409743 UQHLSAOCILECIU-HEHNFIMWSA-N 422.507 0.669 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 1116396427 DKFZNHYOAZJGIP-AWEZNQCLSA-N 422.334 0.818 30 20 HCED Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1322036650 ACRNEFYIWBXWKF-HNNXBMFYSA-N 415.479 0.149 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)n1 1465989616 QQZXKKYHTBVUCM-UHFFFAOYSA-N 409.859 0.750 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1501404734 NOUNTBDRTKWCOO-LJQANCHMSA-N 424.444 0.841 30 20 HCED CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1502426908 RNNRWCUIIZRBRA-UHFFFAOYSA-N 423.521 0.990 30 20 HCED CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1515315361 XQYNTTUDRILHIK-CYBMUJFWSA-N 417.495 0.477 30 20 HCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1521110865 SCWVNXWAPRLEEE-HNNXBMFYSA-N 406.512 0.689 30 20 HCED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1541815843 QVSHJGZAHBMMGH-JLTOFOAXSA-N 414.466 0.580 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1589289560 UNRVPSNPBWTUKN-LLVKDONJSA-N 415.292 0.276 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCN2CCCO)c1 1620349225 NHKOGNSNDSONBY-SFHVURJKSA-N 409.494 0.600 30 20 HCED Cn1c(N2CC[C@@H](Oc3cncc(Br)c3)C2)c(C#N)c(=O)n(C)c1=O 1642863151 UOZCOKHUHAYVHR-LLVKDONJSA-N 406.240 0.771 30 20 HCED Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1-c1ccc(F)c(Cl)c1 1646147978 NURUIAGPZWJACR-UHFFFAOYSA-N 417.788 0.932 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1680398289 KPNFMKHMKGMWSK-AWEZNQCLSA-N 409.487 0.810 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1706071502 SLIPKLUDHMQUAF-CABCVRRESA-N 408.528 0.935 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1711418263 IZQGBIIMTUKQTN-CYBMUJFWSA-N 417.495 0.033 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]nnc2C)C1 1777743754 LRHOQUORPRUQGW-STXHMFSFSA-N 405.499 0.814 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778381208 QXRVJBCHHQWRPL-FQEVSTJZSA-N 414.466 0.010 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1778859012 JXIJFEWNBPTLCT-LNWMGJJQSA-N 405.539 0.730 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1778964191 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CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc[nH]3)CCO2)C1 1837784648 WXRKHECZOQORSQ-HXUWFJFHSA-N 403.483 0.367 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838027951 XQVSCWGCGOLMED-NRFANRHFSA-N 424.461 0.845 30 20 HCED CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839016548 NAOHKWSRSOCYRK-QFIPXVFZSA-N 414.458 0.797 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccncc4)CCO3)C2)c1 1839060722 JADXVCPGPNYHPD-NRFANRHFSA-N 409.446 0.594 30 20 HCED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)COC1 1839228187 VHTPIYYUOYILKP-JXFKEZNVSA-N 411.499 0.670 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(COCCN(C(=O)C(F)F)C4)C3)c2c1 1839487831 HUSNFDKBMWOMHN-LJQANCHMSA-N 419.388 0.770 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487833 HUWOVHPXOPUTSV-NRFANRHFSA-N 422.445 0.808 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839686602 KQGMLOKEPVNRDV-FOIQADDNSA-N 423.466 0.698 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1839809573 ZAHYLJBULRGPBN-FQEVSTJZSA-N 401.419 0.054 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839842027 JIMNQVIEUQACIE-OLIFAPLXSA-N 405.495 0.490 30 20 HCED C/C(=C\c1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044374 VJMJBHIOLCHSSH-HZBHDWBUSA-N 413.430 0.029 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840173267 MIXXYJBTZOHFGV-OAQYLSRUSA-N 423.510 0.886 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1841054179 UTKGVLZGDGCULA-GIFJBRJJSA-N 411.458 0.888 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1841606958 LDOFHYTWIGHBOK-CABCVRRESA-N 411.499 0.667 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1846827343 YXCSBLFETIKRQG-XJKSGUPXSA-N 409.446 0.729 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1847262791 HJUHBHSNIXKYLB-PTMUEUSLSA-N 414.506 0.448 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847807205 GLSDQLULCIIQSW-HOTGVXAUSA-N 418.450 0.941 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24779371 QMVIHVGRUHXLAX-CQSZACIVSA-N 412.487 0.922 30 20 HCED CC(C)OC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 61985524 OQXRSCCFJXFNNX-UHFFFAOYSA-N 424.479 0.554 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 139285325 OQIXLMPPDMQOJV-AWEZNQCLSA-N 401.510 0.305 30 20 HCED COc1cc(S(N)(=O)=O)c(OC)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427274708 MWXLWPVPSDTKCB-UHFFFAOYSA-N 412.449 0.727 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 427705828 QNFOKNGGMGSBFA-CHWSQXEVSA-N 418.450 0.856 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428361512 FBPMRPBXURABKI-UHFFFAOYSA-N 415.541 0.626 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)c1 432301986 KZGFIHATIGXKOL-OAHLLOKOSA-N 404.434 0.967 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCO1 433637309 DNBGLQUAWCJBBJ-HNNXBMFYSA-N 411.466 0.695 30 20 HCED COc1cc([C@H](C#N)NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 434115148 ISSBFAQJWYFFBN-KBPBESRZSA-N 411.480 0.512 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 438740710 OLBSKKGKVKSEIH-UHFFFAOYSA-N 417.491 0.596 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCCNC2=O)CC1 439597978 RQWCKIHGVYFVMH-AWEZNQCLSA-N 419.507 0.631 30 20 HCED N#Cc1ccc(-c2nnc(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)o2)cc1 441481008 LZJHEBCRKLIQIA-UHFFFAOYSA-N 408.418 0.401 30 20 HCED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 441585624 CHEAEGILTLMCMP-OAHLLOKOSA-N 414.853 1.463 30 20 HCED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 441845535 IVUGDQSABRMGAP-INIZCTEOSA-N 402.451 0.991 30 20 HCED O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442024253 DOCBNFNJVNKRFM-GOSISDBHSA-N 402.410 0.788 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 460715857 CHPACBATHGJAFT-GJZGRUSLSA-N 423.477 1.292 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 460955896 ZCKKVMGRYHDHJU-IBGZPJMESA-N 403.487 0.807 30 20 HCED CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C(=O)C1=O 473579451 XDSMAIRIWJPSQM-KRWDZBQOSA-N 417.897 0.740 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)C(=O)OC 481786408 VJTINJVZDNIQBL-LBPRGKRZSA-N 413.390 0.562 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)COc3ccccc3)C2=O)cc1 486015857 JRLCBEAQSBWPPB-IBGZPJMESA-N 406.442 0.971 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3C#N)CC2)C[C@H](C)O1 495025173 GNLXYLCESFWPEG-KBPBESRZSA-N 410.471 0.809 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)cnn2C)c1=O 505657550 GQRNKWNKYKEWHZ-UHFFFAOYSA-N 403.508 0.018 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 507625000 DOYAZCBFCNOCDM-MRXNPFEDSA-N 408.524 0.997 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508704813 FVECJDFXUBTVRZ-MRXNPFEDSA-N 420.514 0.459 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)NC)CC1 508872307 IUVFANMRFLXWQB-UHFFFAOYSA-N 404.496 0.996 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)COCC(=O)NCc3cccnc3)C2=O)cc1 509723793 GTNBIWZNAFIUPQ-LJQANCHMSA-N 421.457 0.898 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CS(=O)(=O)CCO1 511455662 SXTRISOHHLDUQB-OLZOCXBDSA-N 411.505 0.949 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)c1 517116771 ZCHXNDZXXYIGGZ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(C)c3C)c2=O)cn1 521776578 QFFZGHIXHGNAJZ-UHFFFAOYSA-N 407.499 0.981 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 522718826 MFOUTKMZVGPBFV-KRWDZBQOSA-N 406.450 0.806 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523574665 YTKQQDLXVIUPAX-UHFFFAOYSA-N 419.510 0.972 30 20 HCED C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 531936346 NGFPOPPDSPVQPH-HIFRSBDPSA-N 411.505 0.427 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)c1 537473881 GPBRJGIQELFXEA-OAHLLOKOSA-N 423.491 0.546 30 20 HCED C=CC[C@H](CO)CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 538188687 VFRMBVAIYOEHJW-INIZCTEOSA-N 411.524 0.832 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCO[C@@H]3CCCC[C@@H]3C)CC2)c1C#N 551154098 ONSRZIMFHVLOSF-MAUKXSAKSA-N 416.526 0.960 30 20 HCED CC(=O)NCCN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@@H](C)C(=O)OC(C)(C)C 551158275 IHZKTPOOOJSHEC-LBPRGKRZSA-N 403.439 0.587 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(OC)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 551765326 GCIACNBAZVQXNM-ZDUSSCGKSA-N 408.422 1.175 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 552455690 DODLJPHKBCAWAS-GDBMZVCRSA-N 415.469 0.909 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 553401337 JQDOYWWQXHJNAP-ZOBUZTSGSA-N 406.508 0.547 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 557015490 XCEQRPPFGOFGDK-UHFFFAOYSA-N 408.499 0.944 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 557239154 KZHJRRXMBWGKRU-UHFFFAOYSA-N 419.485 0.982 30 20 HCED COCC[C@@](C)(C#N)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 580916971 OASCVODNZIFCJF-INIZCTEOSA-N 401.510 0.746 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 586765896 QALJELATUXUIQZ-HNNXBMFYSA-N 404.496 0.534 30 20 HCED Cc1nc([C@@H]2CCCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)n[nH]1 587646784 BRCABWMORPEFFF-MRXNPFEDSA-N 422.493 0.871 30 20 HCED CCOCCOCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 588865965 BKDMFZVOCAPQOE-SFHVURJKSA-N 416.478 0.681 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 589451962 XHPFEJQNHIIUKS-MRXNPFEDSA-N 404.492 0.744 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC1CCN(CC#N)CC1 609579293 MXLQTNZNRCMNSE-UHFFFAOYSA-N 409.512 0.087 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1nn[nH]n1 610859249 YLHVQNCQWFRXCA-WBMJQRKESA-N 411.447 0.644 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C1CC1 619695516 BAXAEDXPVLAFTA-UHFFFAOYSA-N 417.462 0.658 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 728589400 DVCMQQIOGBYRQF-UHFFFAOYSA-N 414.409 0.633 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S(=O)(=O)C(C)C)CC1 729257247 YBIWDMLFWFTRPR-UHFFFAOYSA-N 405.520 0.766 30 20 HCED C[C@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCC#N 731233031 FLUMXWOKGFUTCN-SJCJKPOMSA-N 405.432 0.050 30 20 HCED N#CC1(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 736845673 OCVUMAJEYYCNQU-UHFFFAOYSA-N 407.448 0.883 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 737219288 WSRAVPHINMFBQW-IRXDYDNUSA-N 401.467 0.912 30 20 HCED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1 741454666 KVTZUMCNYDEQTO-OAHLLOKOSA-N 405.524 0.822 30 20 HCED COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 742295246 XQYCOXRJKPPHDA-CCEZHUSRSA-N 413.839 0.931 30 20 HCED CCN1CCN(CCCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742538429 CXZKGXGLGPTOBO-MRXNPFEDSA-N 421.567 0.648 30 20 HCED COC(=O)c1c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)sc(C)c1C 743917033 CSMILHGNISPYOW-BUHFOSPRSA-N 420.447 0.733 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745444534 SMMNGFZVVUUXBU-BZMYHREGSA-N 405.451 0.523 30 20 HCED C#CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 746457087 WSZLXLRFXFAIEJ-UHFFFAOYSA-N 409.508 0.492 30 20 HCED N#Cc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 748005408 ISFOOVKTEOQIQO-UHFFFAOYSA-N 400.416 0.637 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCSc2nnnn2C)c1 749504172 CQPGANJLUOWLCA-UHFFFAOYSA-N 414.491 0.566 30 20 HCED C#C[C@@H](CC)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 753178679 WCAXSHDLGHKHPT-ZDUSSCGKSA-N 417.509 0.502 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccnn2C)c1=O 758084205 QZFVXXNTGNTQIA-UHFFFAOYSA-N 418.434 0.391 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763461329 WNWPYLQBHATVFH-UHFFFAOYSA-N 400.504 0.410 30 20 HCED CCOC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 764584084 OKTXBOSBRTZYGN-ZDUSSCGKSA-N 408.480 0.962 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCc1nc2ncccn2n1 768829962 JSXGRDIRDRYGDT-CYBMUJFWSA-N 414.447 0.839 30 20 HCED C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 768983980 CEUVLCUICSRBKR-QIAIEURZSA-N 410.496 0.715 30 20 HCED COC(=O)C[C@@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCOC1 770701726 SDGODXCNLAEHGO-IBGZPJMESA-N 405.455 0.205 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1)[C@H]1CCCO1 773798451 UDYYKLYVPVYPHC-HUUCEWRRSA-N 423.491 0.571 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)[C@@H]1CCCO1 773798653 QOZRBGBELVZQDP-OALUTQOASA-N 412.490 0.239 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CN(c3ncccn3)CCO2)c1 774629579 FCIRSXTVSRRUPL-MRXNPFEDSA-N 416.459 0.450 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 781518301 QCQFNBYKEHVLOQ-KBPBESRZSA-N 412.425 0.801 30 20 HCED CC(C)(C#N)CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 784599453 CMHWMEYMYQCGTP-UHFFFAOYSA-N 417.509 0.847 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 784866041 IMUYDVSERKQUOJ-UHFFFAOYSA-N 414.487 0.971 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(Cc2cccc(F)c2)CC1 787760642 UUFVNYSRCCWGFO-UHFFFAOYSA-N 410.453 0.965 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)cc1 787761008 WGDGUHVODPSNDP-UHFFFAOYSA-N 417.473 0.697 30 20 HCED C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(C#N)nc2)CC1 791052227 UEWHMMYXUZKWGA-KRWDZBQOSA-N 406.494 0.603 30 20 HCED Cc1ncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc1C#N 793989165 QDQQQNRKJWOGOD-AWEZNQCLSA-N 410.452 0.956 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CCn2cnccc2=O)cc1Br 797205528 AXBWMPKKCXUGNX-UHFFFAOYSA-N 411.237 0.773 30 20 HCED C#CCN1CCN(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 917423663 YCHJYCIYJCTWML-LJQANCHMSA-N 404.492 0.065 30 20 HCED NC(=O)NC[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918593618 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0.334 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1837392672 HEUOFLQWXVWZHK-KKSFZXQISA-N 410.511 0.631 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1837403483 UVLVUSURKSQTHV-DYESRHJHSA-N 421.494 0.555 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1837440626 QHBGUAZRHCTAPQ-DZSVRRGNSA-N 422.551 0.935 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837533328 PBCSYCGEGABGSF-LAAGDHCCSA-N 407.467 0.385 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1837559963 KUXBIJZEDSVZIL-NXFFSXPPSA-N 419.463 0.320 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccc3F)CCO2)C1 1838249357 SAIRHHVCKFJPRS-IERDGZPVSA-N 421.469 0.864 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838498965 JXCHZTAJJUUJHV-JOCHJYFZSA-N 423.473 0.955 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1839227475 RXHCHHQASADEQG-JXFKEZNVSA-N 419.482 0.656 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839784613 SAYYXQBXVLOFBG-TXPKVOOTSA-N 414.524 0.232 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840162438 XDVVFXNXRRBXLZ-AUUYWEPGSA-N 408.524 0.536 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840166173 WWWYYNIUXZJVNB-QRWLVFNGSA-N 419.503 0.712 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840318546 KUGWPBOZUNQZAK-FQEVSTJZSA-N 411.499 0.791 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365816 OEWJZIRQPVTPCA-JTSKRJEESA-N 414.506 0.775 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455533 BNLPFTIHALZLOY-HXUWFJFHSA-N 420.535 0.785 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)cc(Cl)c1)CCO2 1840711498 SBSQRBFWMSMPTG-LJQANCHMSA-N 424.812 0.637 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])CCO2 1840887377 LZURJLFNCIEENA-IBGZPJMESA-N 420.397 0.646 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844386739 XVXBVQSWUGKBIQ-KRWDZBQOSA-N 424.461 0.403 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 51536007 KQRKRGHNKOZCTH-MRXNPFEDSA-N 403.508 0.873 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 430392089 IKLILBZVGOPKEQ-FUHWJXTLSA-N 423.535 0.829 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 430412687 IHJBQZFUSNXMJN-SBOZNWLOSA-N 408.451 0.035 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCC(=O)N3)CC2)cc1 434856381 SFECIPMIRPZLNE-OAHLLOKOSA-N 405.480 0.243 30 20 HCED C=CCOC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(=O)OC 435142879 YFBAULBBKMAOQS-CQSZACIVSA-N 416.521 0.936 30 20 HCED CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCCN=c2ccc(-c3ccccc3)n[nH]2)[nH]1 439017739 BMTFCXSPUAGROW-UHFFFAOYSA-N 418.461 0.803 30 20 HCED CCc1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1S(N)(=O)=O 442245147 QWJNMZLKCGDASX-UHFFFAOYSA-N 416.459 0.902 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 443101944 FRPJOYFIRYEDRT-LLVKDONJSA-N 405.354 0.629 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 444502580 QCNXWZPCZUNELQ-UHFFFAOYSA-N 424.505 1.464 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)OC4(CCOCC4)C3)CC2)o1 447822250 PKDVMQVGVGRDPC-HNNXBMFYSA-N 403.483 0.773 30 20 HCED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 461343459 ZWBJKIFYNQGCEG-AWEZNQCLSA-N 417.462 0.393 30 20 HCED CC[C@H](C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 464117600 SRPXKCSWXNRFAY-GFCCVEGCSA-N 404.448 0.993 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)cc1 464876261 NWPMKWJNRBOGPI-MRXNPFEDSA-N 422.507 0.143 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465415525 INLYLGJMJJQZSN-AWEZNQCLSA-N 421.461 0.774 30 20 HCED N#CCCCOc1cccnc1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 466598360 INTCSXZNJYBOGC-UHFFFAOYSA-N 400.439 0.719 30 20 HCED C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468186342 LWBKJNQUDYWHGC-FPHDVWFLSA-N 409.446 0.153 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(Cl)c1 470220756 SBXSNZKXBULRCH-UHFFFAOYSA-N 411.915 0.776 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cc3c(C)nc4nc(N)nn4c3C)CC2)c1C#N 473103057 HFZWRPUZUMXNKV-UHFFFAOYSA-N 408.470 0.128 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OC)s2)c1=O 477018516 FBYYCUNZOJPDIN-GFCCVEGCSA-N 419.528 0.798 30 20 HCED C[C@](O)(CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)CN1CCOCC1 478559974 XZRPYXIWWMRUTO-NRFANRHFSA-N 402.495 0.913 30 20 HCED Cc1nc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)no1 481755263 KBWFSHZGNAWSFK-CYBMUJFWSA-N 418.479 0.261 30 20 HCED Cc1nc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)no1 481755265 KBWFSHZGNAWSFK-ZDUSSCGKSA-N 418.479 0.261 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 507751883 ZNEZAQLRUPGQRQ-MSOLQXFVSA-N 407.559 0.876 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 512819371 FBTXYHWOYPENRW-CQSZACIVSA-N 401.510 0.878 30 20 HCED COCCN(C(=O)CN1CCN(c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 513817026 ZIALWCDLKKWXBK-SFHVURJKSA-N 420.535 0.342 30 20 HCED CSCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccco2)c1=O 514491262 AAZDLURSACLVEA-UHFFFAOYSA-N 419.528 0.618 30 20 HCED Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(=O)n(C)c1=O 520269587 CQWRBPHYQKZWJK-CYBMUJFWSA-N 421.454 0.042 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2cccs2)N2CCOCC2)C1=O 522124261 RCPQGWAJTHKFED-ZDUSSCGKSA-N 406.464 0.214 30 20 HCED C[C@H]1[C@@H](C)N(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1(=O)=O 538352330 VTFJSMPUQMSKML-PMPSAXMXSA-N 410.565 0.964 30 20 HCED COC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1cccc(O)c1 540509159 NODIQYNBHXOETL-GOSISDBHSA-N 417.443 0.915 30 20 HCED NS(=O)(=O)[C@@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 543439152 VIASIKPRAOGLSF-OAHLLOKOSA-N 403.426 0.926 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 545999073 IFHGXBUNHGRDNI-OAHLLOKOSA-N 410.434 0.546 30 20 HCED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549658101 AKJDGNLDBRKYIQ-UHFFFAOYSA-N 413.482 0.357 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(OC)ccc3ccccc23)CC1 550481548 PSEOGANUBITYFS-UHFFFAOYSA-N 424.501 0.911 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 553330283 CUUGGZZVGMMARD-UHFFFAOYSA-N 420.539 0.872 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)C1=O 554445448 MQOSKWHJKTXZKR-SJORKVTESA-N 414.510 0.369 30 20 HCED C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CCN1c1nccn2cnnc12 556034515 QENLZBDXIZIBPJ-CQSZACIVSA-N 404.434 0.349 30 20 HCED C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 557215364 NCDDDJNAQKFCSK-ZDUSSCGKSA-N 401.858 0.657 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(C)cc2)CC1 557667282 KKBIRCZFBFGSAF-UHFFFAOYSA-N 400.523 0.835 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O 557913329 MYCOHKFBQXZESM-GOEBONIOSA-N 418.881 0.807 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 559448367 XHIXOOVDPBCXEE-CQSZACIVSA-N 408.524 0.668 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1nnc2n1CCC2 559555500 KCMFAJLFLFYQEF-WBVHZDCISA-N 407.478 0.638 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCc3sccc3C2)C1=O 559963230 KUNZPUULXBPZKV-GDBMZVCRSA-N 404.536 0.856 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 563730242 HYUMNERVBFUUDO-UHFFFAOYSA-N 416.445 0.499 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 564071381 UOVPYNSYABGKIZ-OFJJUDJNSA-N 416.503 0.193 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 572328920 PGBFXOKEOQIESX-OAHLLOKOSA-N 405.398 0.998 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 576231359 DXBYDSBXPUPOKX-SFHVURJKSA-N 414.510 0.075 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 578050204 RLDZDXDADBEHME-APHBMKBZSA-N 400.483 0.718 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 578424890 JSSVOERXBFDQFL-UHFFFAOYSA-N 409.443 0.594 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(CC(=O)N(CCC#N)CCC#N)C2 582375449 QFTHCTXQZMHRBU-UHFFFAOYSA-N 403.508 0.951 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)C1=O 584582487 PROQOQHRKMFQAL-LLVKDONJSA-N 403.424 0.103 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 610676826 YWQXXNHBMPTXDB-MRXNPFEDSA-N 420.470 0.247 30 20 HCED C=CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 726650474 GVPOPOONISIBFX-UHFFFAOYSA-N 424.475 0.800 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 728571108 VLXRAVFBCNIGCU-TZIWHRDSSA-N 411.550 0.133 30 20 HCED Cc1ccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 728922175 OMZRNSDOONIVRM-OAHLLOKOSA-N 423.491 0.933 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)CC1 729256744 GOPCKLNVVXHYEM-QGZVFWFLSA-N 400.479 0.558 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1 729365556 SLSQQNNNADXZCP-ZDUSSCGKSA-N 424.479 0.569 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)Cc1c(C)nc(-c2ncccn2)nc1O 729708772 BASLMWKTAOSGKS-LLVKDONJSA-N 400.395 0.434 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1 731649326 JWHVGAKLORDXKL-UHFFFAOYSA-N 413.521 0.047 30 20 HCED N#Cc1ccc(NCCNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)nc1 731784142 AYLVPJAKEPZVOG-UHFFFAOYSA-N 410.419 0.206 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1 732781383 QMANJBFTHMFHDA-QGZVFWFLSA-N 404.536 0.496 30 20 HCED COC(=O)N1CCC(=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 734750632 AVNOGUFLSDYEFY-UHFFFAOYSA-N 410.500 0.648 30 20 HCED COCCCNC(=S)NN=C(C)c1cccc(S(=O)(=O)N2CCOCC2)c1 739400608 QAKCSICUVSPPFW-UHFFFAOYSA-N 414.553 0.932 30 20 HCED NC(=O)COc1cccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 742770358 LQOKWBCODDOCCK-UHFFFAOYSA-N 416.459 0.296 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 744589424 OQLWORHVEXVXCI-SZNDQCEHSA-N 413.430 0.293 30 20 HCED C#CCNC(=O)C1CCN(C[C@H](O)COc2ccc(C(=O)OC)cc2OC)CC1 747968472 KIFNXPPDCRAPDA-KRWDZBQOSA-N 404.463 0.683 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 748343426 HCVMZDPDRCDNTQ-UHFFFAOYSA-N 412.538 0.765 30 20 HCED CCCCCNC(=O)[C@@H](C#N)C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 750312804 SRKVOAYXZAUJJJ-HNNXBMFYSA-N 409.454 0.880 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 754220247 PTMVVXQKUONCHJ-UHFFFAOYSA-N 423.466 0.849 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)S(C)(=O)=O 754235690 HMNUBHAIQQTBKB-JSGCOSHPSA-N 415.537 0.833 30 20 HCED COCc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ncn1 755555468 XKWHBGXCIRGZTK-YPMHNXCESA-N 404.427 0.437 30 20 HCED CNC(=O)[C@H](NC(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 762736808 FSNKXVRGFOGZAD-QGZVFWFLSA-N 418.475 0.331 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 764425381 PBPUDVZRYTWJRJ-CYBMUJFWSA-N 413.521 0.541 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)CC1 768781257 RBLZSEFNDHQEOO-UHFFFAOYSA-N 420.583 0.646 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cc([N+](=O)[O-])cn1 769381648 KWVZZUWLYMTQPB-UHFFFAOYSA-N 406.424 0.426 30 20 HCED CCOC(=O)CON=C(C(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1cc[nH]n1 770814362 ZNSIWSXTPWSNRO-UHFFFAOYSA-N 409.349 0.727 30 20 HCED O=C(C#Cc1ccccc1)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 773464922 KYQZFHHSDHMAHO-MSOLQXFVSA-N 405.472 0.776 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 780048402 QHJXFDZIGIPSRH-AWEZNQCLSA-N 412.450 0.817 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)nc12 782304781 WCIXXICXEOAXAY-OAHLLOKOSA-N 405.374 0.470 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OC[C@@H]3CCOC3)CC2)c1=O 784003612 ZQOFTNSQTQXKEO-MRXNPFEDSA-N 406.483 0.019 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 785719519 NTHYHOQKEHFYOX-IAGOWNOFSA-N 402.451 0.627 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(Cc2ccncc2)CC1 787433843 REZUPVSPOOAFMI-UHFFFAOYSA-N 407.478 0.657 30 20 HCED CCS(=O)(=O)CCn1cc(C)c(NC(=O)CNC(=O)c2ccc(C#N)cc2)n1 787799760 RXWPFATVNYOYCG-UHFFFAOYSA-N 403.464 0.866 30 20 HCED C#CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cn1 788211217 CPMYEDBVCKOTJL-QGZVFWFLSA-N 402.476 0.904 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)cn1 791188418 KKZQWTAFTYWCNK-LJQANCHMSA-N 403.446 0.722 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCCn2cnc3c(N)ncnc32)c1 795325670 RTXHQFVJJWDMSI-UHFFFAOYSA-N 415.435 0.192 30 20 HCED C=CCOC[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)OC 796460525 YBDWMYCBPBMQFS-QRWLVFNGSA-N 401.419 0.240 30 20 HCED COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)Cn2cnc(C#N)n2)cc1 805230986 QRQYEIPSTHYIKI-GFCCVEGCSA-N 400.395 0.096 30 20 HCED C=CC[C@@H](NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccncc1 805367162 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CN(C)CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1116255547 COYDPMDQZZWZKY-FUHWJXTLSA-N 418.519 0.488 30 20 HCED CCNS(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1116287686 SXDYSINIOSFITD-ISLYRVAYSA-N 406.464 0.518 30 20 HCED C[C@H](CC(=O)N1CCC(c2nn[nH]n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1152486520 XQKHRBVFDXOQFO-LLVKDONJSA-N 403.468 0.423 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(O)nc1=O 1190077589 MLEGBQNKBROUQJ-UHFFFAOYSA-N 408.411 0.729 30 20 HCED Cn1nccc1[C@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1301302207 WOODRVGHRZVDEX-LJQANCHMSA-N 417.491 0.542 30 20 HCED CCS(=O)(=O)C[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1318476565 ZQQUZFNZLNTPBJ-DOMZBBRYSA-N 406.464 0.703 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1339049097 WBGBHXKIQAVFIQ-DOMZBBRYSA-N 406.464 0.655 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCc1cnn(C)c1 1360646216 NWRVGHUFBCQHNY-KBPBESRZSA-N 408.532 0.993 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1468295578 JBQMYZRJZGWZMC-VQIMIIECSA-N 422.507 0.704 30 20 HCED CCOc1ccccc1C(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1541070491 PNLNUVWBFHDOOQ-UHFFFAOYSA-N 411.418 0.204 30 20 HCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1541711932 JRWZINFWBVFFSL-KDOFPFPSSA-N 423.543 0.687 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1544365159 KMYMQEIGSLGYOZ-QGZVFWFLSA-N 418.519 0.828 30 20 HCED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1561627925 TUHXPDQCMTWYMU-UHFFFAOYSA-N 413.456 0.424 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)c1 1561691483 OSRSORDHVQICSA-MRXNPFEDSA-N 401.510 0.756 30 20 HCED COc1cc(C#N)ccc1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 1615448574 ZTHWRKOIGNIHAO-UHFFFAOYSA-N 413.522 0.877 30 20 HCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1=O 1622465807 YXDAJUGTZSZXOI-AWEZNQCLSA-N 414.915 0.669 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1711423804 NJQKJYJINXSNPN-GOSISDBHSA-N 403.512 0.943 30 20 HCED CC(C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1723042944 XACLTZKZCUUDQX-AWEZNQCLSA-N 412.516 0.122 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC(=O)N(CCOC)C1 1727608845 YRKXMBLZYOMXSS-WBVHZDCISA-N 401.515 0.512 30 20 HCED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C1CC1 1729066252 YDIWLSNFTCQGOJ-UHFFFAOYSA-N 424.509 0.934 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)c1 1778003364 HOHNEALFVZXBBK-FTFYGEEPSA-N 413.522 0.727 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465543 OEFXTIBSTTYVJU-MGPUTAFESA-N 414.466 0.974 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522081 CNESSXSQWYYXNO-KDOFPFPSSA-N 408.480 0.573 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779677514 KDMBQYJDQROUMS-FQEVSTJZSA-N 403.435 0.522 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1781395952 FZRRYUXJMGVJNG-NLJKLAEJSA-N 406.527 0.957 30 20 HCED N[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1cccnc1 1782010230 CSPMIUVOHZSOOK-CBGDNZLLSA-N 414.462 0.073 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4ccnn34)C2)C1 1782221099 YBYMGJFFUSAYFZ-DYRFGFBLSA-N 423.473 0.636 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783118973 QZBVUROBNLUYHO-VBKZILBWSA-N 404.467 0.299 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)C(=O)C1CC1 1784005889 VZRCDXZGKXHVCM-YJFXSEDVSA-N 407.467 0.474 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN(C)C(C)=O)[C@H]2C1)C(F)(F)F 1784937227 QAEIOMWAKKQCDD-KKUMJFAQSA-N 405.417 0.953 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ccc(O)nn4)[C@H]3C2)cc1 1785844891 DCABJVZRHNNCED-BQFCYCMXSA-N 407.430 0.961 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786260246 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C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)CC1 443699051 OACZWDCJQALTEB-OAQYLSRUSA-N 416.478 0.969 30 20 HCED Cn1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 444108927 ZADYUSGTNKXNMD-UHFFFAOYSA-N 401.448 0.691 30 20 HCED Cc1ccccc1C(=O)NC1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444502999 ASJDAKRFAMCUHX-UHFFFAOYSA-N 408.462 1.465 30 20 HCED COC(=O)[C@](C)(CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(F)cc1 447454529 VTZJAPDKXIBIRD-LJQANCHMSA-N 401.398 1.121 30 20 HCED CCc1nc([C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1 464468259 NAHPFOCNZRBDBR-HNNXBMFYSA-N 418.479 0.459 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 467413475 NEEMZHVDEAIHFN-LBPRGKRZSA-N 400.478 0.978 30 20 HCED Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C2=O 471676751 DNUUYDIQHGJZED-UHFFFAOYSA-N 406.446 0.853 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2)c1C#N 472208864 NWTRQRVLEBIAIQ-UHFFFAOYSA-N 414.491 0.397 30 20 HCED 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509010000 GMPLMEYHPPXYFM-IAGOWNOFSA-N 406.531 0.631 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 509602512 ITJDPCZCHMFJLF-STQMWFEESA-N 406.555 0.685 30 20 HCED COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H](C)C1 539380538 OCFHCFUZLPKMFM-HNNXBMFYSA-N 422.507 0.588 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CC1 541580338 DZRVYRIIOHNGRH-QZTJIDSGSA-N 423.514 0.287 30 20 HCED COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 549088419 ZXISOEZKEXYRFO-UHFFFAOYSA-N 416.459 0.830 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 550645613 FVMLKPGEPMLARA-UHFFFAOYSA-N 402.495 0.490 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@]2(CCOC2)O1 555035343 IKSXNYRMMPMMRT-VLIAUNLRSA-N 410.434 0.874 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)nc1 555864560 VPAAIDKLYGWOAS-UHFFFAOYSA-N 418.457 0.625 30 20 HCED CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)Cc1ccccc1 559412758 VHIKEVNIUSAIJQ-FQEVSTJZSA-N 420.517 0.891 30 20 HCED COC(=O)c1cn(CCNS(=O)(=O)c2cccc(Br)c2C#N)nn1 566905776 DVSWUZXNUJELQS-UHFFFAOYSA-N 414.241 0.677 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F 571695176 ULMRHIIGFLVJHX-UHFFFAOYSA-N 417.422 0.564 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H](CN4CCCC4)C3)C2=O)cc1 574719138 VXKWXDQXKSDHAS-PMACEKPBSA-N 423.517 0.720 30 20 HCED CO[C@H](CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 577197269 UCQHKVBXCHNBGR-GOSISDBHSA-N 410.478 0.753 30 20 HCED CCN(C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579050656 GJKTUDZORDMEOU-RTBURBONSA-N 411.506 0.576 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2-n2cccn2)CC1 579871850 CRBCMHUNZGJMML-QGZVFWFLSA-N 424.505 0.496 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 582574436 JOURCQFKBVUEBL-ZDUSSCGKSA-N 405.484 0.629 30 20 HCED Cc1c(I)cn(CC(=O)NC[C@@H]2CCCO2)c(=O)c1C#N 584320347 ORONUWYGCPFQRS-JTQLQIEISA-N 401.204 0.928 30 20 HCED Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)cc1 585774563 JOUYCYVVIIJGKY-HXUWFJFHSA-N 413.522 0.589 30 20 HCED COCCN(CCC#N)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 609597174 GYJLZFYKFBVEJZ-UHFFFAOYSA-N 407.489 0.638 30 20 HCED COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 615049688 XQRPPXMBMPVQMQ-UHFFFAOYSA-N 418.450 0.495 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Cl)s2)c1=O 727165361 YUKXVDBCMIQCDR-UHFFFAOYSA-N 414.921 0.201 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2ccc(OCC)cc2)CC1 728572329 AOLLMZZQQWQWQT-UHFFFAOYSA-N 411.506 0.699 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1OC 729433226 LAVLCMONOXTABH-CYBMUJFWSA-N 411.418 0.588 30 20 HCED C[C@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)CCC#N 729627872 YDNOPTLDRIQOPT-ZDUSSCGKSA-N 410.448 0.925 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccn(Cc3ccccc3)c2=O)CC1 733148955 QYYGUUOTSKJODI-UHFFFAOYSA-N 406.486 0.794 30 20 HCED C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 739071716 WLWMJKBUVMRQDC-CYBMUJFWSA-N 411.466 0.776 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 739716280 BDNBJAGJEQURJT-UHFFFAOYSA-N 409.240 0.865 30 20 HCED CC(=O)N1CCC(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742643853 YTPMGDBOIBXKMS-ZDUSSCGKSA-N 406.508 0.878 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743728649 NPYSOWLFMUGPOR-UHFFFAOYSA-N 415.519 0.288 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCOC1 743939708 GKJZJOLBZOFLIK-UMUMURGJSA-N 422.507 0.979 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 747993872 SFNRRVMMJYERBO-CQSZACIVSA-N 414.462 0.587 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(c3ccc(C(=O)OCC)cn3)CC2)CC1 748817565 YSMCVFATUKNHAN-UHFFFAOYSA-N 413.522 0.548 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)o1 756919130 ATPBLEDVTNOSGO-AAEUAGOBSA-N 412.468 0.985 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(Cl)c2F)c1=O 758049332 AGUUZPORFFQDRE-UHFFFAOYSA-N 419.865 0.601 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758094645 WEOUDHXYDAHEES-HNNXBMFYSA-N 418.899 0.947 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758364534 YVMZAKBUCLEIRQ-ZIAGYGMSSA-N 417.532 0.716 30 20 HCED CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)cc1 762476722 PHLWXVAAYDTMNA-UHFFFAOYSA-N 406.446 0.847 30 20 HCED CN1CC[C@@](O)(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 762829413 YVMLDVVGZYAKLF-WKSXIXGESA-N 409.512 0.688 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)nc12 782410388 PDHWITUPLGTRGR-UHFFFAOYSA-N 421.822 0.982 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 784923544 URIURLNBEMDZJY-UHFFFAOYSA-N 416.503 0.046 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 785204356 WAHOEAFWVIJSGX-WLRWDXFRSA-N 402.382 0.271 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)NC1(C#N)CCC1 787719890 BKJJAFLZXYVGCX-CYBMUJFWSA-N 421.475 0.656 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cnc(N2CCOCC2)s1)c1cc[nH]n1 787763278 KKQOCDFPCSKRAS-UHFFFAOYSA-N 422.467 0.303 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N(CC)CC)c1cc[nH]n1 789967621 WAYVSOZWLXBCBR-CYBMUJFWSA-N 411.484 0.463 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@H]1CCCS(=O)(=O)C1 792035544 TZJSEJAIRWKEBT-GXTWGEPZSA-N 400.478 0.593 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCc2nc(-c3ccccc3)no2)c1=O 795704883 RRCLBLYQGFSCQT-UHFFFAOYSA-N 424.461 0.726 30 20 HCED CN1C(=O)c2ccc(NC(=O)CN3CCN(c4ccc(C#N)nc4)CC3)cc2C1=O 801553029 GIZVBJTZBTUCPM-UHFFFAOYSA-N 404.430 0.940 30 20 HCED COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802360081 XZXFOCKCGJQZKZ-SFHVURJKSA-N 420.481 0.744 30 20 HCED C[C@@H](CC(=O)OCc1nnc2n1CCOC2)/N=C1/NS(=O)(=O)c2ccccc21 810818355 GWITZTVDNBRUGJ-NSHDSACASA-N 405.436 0.369 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 813978804 JGIGVGMUOFTCOH-JKSUJKDBSA-N 404.448 0.199 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N2CCO[C@@H](C)C2)ccc1F 914658851 KJXBOAVCQHMFMW-LBPRGKRZSA-N 400.428 0.694 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2C)c1=O 916200161 WBBYDZHEUJTHQV-UHFFFAOYSA-N 419.528 0.288 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCOC 916200793 QFTXZOGCZPNZNR-UHFFFAOYSA-N 405.426 0.640 30 20 HCED COC[C@@H](C)NC(=S)NN=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 916280764 FKHIQZWRWZBMPQ-CQSZACIVSA-N 424.523 0.766 30 20 HCED CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 918319616 SISXQNQQFDWCQV-UHFFFAOYSA-N 406.446 0.942 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 920001816 YOTJYWVVNQPBLH-ZIAGYGMSSA-N 422.507 0.115 30 20 HCED C[C@@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)NC1(C#N)CCCCC1 920605648 LCALLRKLYWJZRX-GFCCVEGCSA-N 415.450 0.464 30 20 HCED C=CCOc1cccnc1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 969317571 ITZWOOCLTUQBDS-KSPMYQCISA-N 401.463 0.763 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CO)(CO)CC1 1154356693 VXFGVEKCYVRXFV-INIZCTEOSA-N 423.535 0.733 30 20 HCED COC(=O)c1cnc(C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)s1 1213155624 ROLFIFLDMFXUGM-GFCCVEGCSA-N 400.482 0.578 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3c2cccc3S(C)(=O)=O)C1=O 1251451502 BXSXSTQVOLUATR-UHFFFAOYSA-N 405.432 0.346 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C1CC1 1319176259 PSRLAOMOTWKIAR-UHFFFAOYSA-N 409.511 0.999 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1325284246 VQYNABYGZGYZRC-BQASMSSTSA-N 412.450 0.398 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](CO)Cc3ccncc3)C2=O)cc1 1329084489 MKTYLGXPTMIOPM-FUHWJXTLSA-N 407.430 0.878 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(Br)cc2C#N)CC1 1442256120 XOGDCYNHQFGJKQ-UHFFFAOYSA-N 415.313 0.628 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(O)CCC1 1541674367 XITAPKUOMPOROK-UHFFFAOYSA-N 424.509 0.925 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1556586165 OLDMMGPTXUEABB-UHFFFAOYSA-N 421.475 0.863 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)CCO1 1561674673 UZMZDDFCYARCCH-OLZOCXBDSA-N 418.397 0.565 30 20 HCED N#CC1(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCOCC1 1607180532 QCJAFRLBLFKLIK-UHFFFAOYSA-N 407.492 0.882 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1611309047 WYCSOFLRJSXQDL-KFWWJZLASA-N 412.516 0.386 30 20 HCED CN(CCCC(=O)N1CCN(CCC#N)CC1)C1=NS(=O)(=O)c2ccccc21 1632349194 QGCXKVVIYDLFSP-UHFFFAOYSA-N 403.508 0.905 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC12COC2 1681433120 CFVDRBZEHCIMMM-KKUMJFAQSA-N 422.482 0.967 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1711418560 LJDXAEJLNVJJLP-UHFFFAOYSA-N 401.452 0.990 30 20 HCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(=O)NC)CCOC1 1767474854 XVSCRODPAGSDRS-UZLBHIALSA-N 417.514 0.243 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769101472 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COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CC1 478844583 SLWIUDQHHHRGKV-CYBMUJFWSA-N 415.519 0.676 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 479873207 KMNREGKLNNXBDP-AWEZNQCLSA-N 409.468 0.615 30 20 HCED CCCn1cnc2c1c(=O)n(CCS(=O)(=O)c1ccc(C#N)cc1)c(=O)n2C 480293679 QUMSBVSQTYVHIB-UHFFFAOYSA-N 401.448 0.652 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 485684612 RCRKADVFPPYMBC-HOTGVXAUSA-N 420.491 0.277 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c(Cl)c1 491578057 COFZSXHSGLZHGI-UHFFFAOYSA-N 411.827 0.374 30 20 HCED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 498687150 SLYYUAWBWISDAC-KGLIPLIRSA-N 404.492 0.928 30 20 HCED Cc1cccc(NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1C#N 507045211 HQYMUNFVZFCYDR-LBPRGKRZSA-N 406.386 0.744 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508749798 XHRZNWIHIVMLCB-UHFFFAOYSA-N 418.498 0.596 30 20 HCED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508955174 DHLDWTPRMTXOMW-BBRMVZONSA-N 410.434 0.124 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1C 510960885 KYSXENSOESPSKO-UHFFFAOYSA-N 417.495 0.012 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccc(C#N)cc1 511948969 AEXKDQDGJLEKER-UHFFFAOYSA-N 402.476 0.899 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2)nc1 514310985 HUXGOCOJZOJBOI-FCEWJHQRSA-N 420.491 0.852 30 20 HCED C=CCn1c(C)cc(C(=O)CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1C 531255436 YQFTYFLIMLQQNS-UHFFFAOYSA-N 423.583 0.583 30 20 HCED CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CC1 534098411 VWHCFNBAAMCBTH-UHFFFAOYSA-N 403.531 0.833 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n1 539203452 HADPIDFIMYVQKC-JURCDPSOSA-N 410.434 0.197 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 541134625 UWXSMKDKGCOSEG-UHFFFAOYSA-N 400.439 0.528 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(F)cc(Cl)c2)c1=O 548603911 MIYJRMGTXLVKPS-UHFFFAOYSA-N 409.870 0.988 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1=O 552193410 HVKFAVMCQXMKGM-QGZVFWFLSA-N 402.495 0.489 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)c2cc(C#N)c(SC)nc2O)C1)C(N)=O 557736866 TZYXMERNCFMLNN-UHFFFAOYSA-N 405.480 0.613 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 560071138 GRSSBNLPBQPLFC-UHFFFAOYSA-N 402.454 0.521 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 571213948 WHRWQQBNDOEMQB-IGCXYCKISA-N 408.418 0.878 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 573884895 JGQDENIETRNPOH-HOTGVXAUSA-N 422.555 0.109 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)ccn1 574849469 QRBQBCODYBDACD-IRXDYDNUSA-N 409.402 0.833 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1F 576746158 FRNPOKJOCXZDRV-HUUCEWRRSA-N 409.439 0.831 30 20 HCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 580367007 KUOWNLXWIVXDHY-HOTGVXAUSA-N 405.524 0.764 30 20 HCED CCn1cc([C@@H]2C[S@@](=O)CCN2CCS(=O)(=O)c2ccc(C#N)cn2)cn1 582629326 DSUDQUQFSUCPBE-QMTYFTJSSA-N 407.521 0.749 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CC[C@@H](CC(N)=O)C2)cc1N1CC[C@H](CC(N)=O)C1 588853844 BRVLPQIAJDOQCW-OLZOCXBDSA-N 400.439 0.870 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)cc2)c1=O 603793142 MKAONJIIPMYZNX-UHFFFAOYSA-N 413.499 0.760 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(=O)N(C)C 604269819 DRAPOFCIFJVIST-UHFFFAOYSA-N 404.517 0.087 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H](CO)NC(=O)COc1ccccc1C#N 612648651 USSANNNKYGJTJW-KRWDZBQOSA-N 408.414 0.481 30 20 HCED C=CCNC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 726200474 IAMKPRONTTVUTB-UHFFFAOYSA-N 402.494 0.600 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nncn1C 729280387 CLBKRZZJRWRGTG-CQSZACIVSA-N 404.496 0.771 30 20 HCED Cc1nc(CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 730103953 LAEVXGASMCNAJK-UHFFFAOYSA-N 418.479 0.151 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)o2)c1=O 732663538 XSCRBYMYWRAHBJ-UHFFFAOYSA-N 419.528 0.536 30 20 HCED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC1 732699792 CUSPWGACFFGYCL-HNNXBMFYSA-N 422.467 0.255 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 733310215 AOFNTFOBDZYDOK-TZMCWYRMSA-N 403.464 0.525 30 20 HCED Cc1cc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 738858056 CKHISDSXGAIHOB-HNNXBMFYSA-N 407.386 0.196 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 741210691 VAVQEFAGWKXMEE-INIZCTEOSA-N 407.515 0.758 30 20 HCED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 745735635 HXQPZWYRYBDSKJ-NRFANRHFSA-N 416.478 0.955 30 20 HCED Cc1nsc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 746303697 RETPASKGDKWQDX-UHFFFAOYSA-N 420.520 0.624 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)cc1 749727290 GVLTZWAQDAAILX-UHFFFAOYSA-N 407.492 0.910 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1=O 751630295 GKCGVMKJUSAKNY-KPZWWZAWSA-N 402.432 0.989 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)cc1C#N 752394271 VRHALNWTEKBCHN-CQSZACIVSA-N 404.379 0.466 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758956126 UPNOLHYKLUSWAJ-UHFFFAOYSA-N 423.450 0.062 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 765740748 PJUKLHDSNDBJPS-HXUWFJFHSA-N 420.466 0.823 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)CC1 766051378 ZBPQQVZSFNWZMO-UHFFFAOYSA-N 400.504 0.923 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(F)cc2Br)c(=O)n(C)c1=O 771889853 BSJQRZLIWFEWDM-UHFFFAOYSA-N 419.232 0.298 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1C1CCN(C)CC1 772305186 XYKYNAHGUFQGMP-UHFFFAOYSA-N 424.530 0.279 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1CC 774528389 CDALUKVRKOUHSD-UHFFFAOYSA-N 422.510 0.644 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(CC(N)=O)CC(=O)OCC)ccc2c1=O 777770733 DSONCFIHCWGFAG-UHFFFAOYSA-N 404.448 0.362 30 20 HCED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 781222889 NRJNDJCZQCJMLZ-CQSZACIVSA-N 408.524 0.419 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1)[C@@H]1CCS(=O)(=O)C1 783482661 ZDBPOIZXCNHXDJ-OAHLLOKOSA-N 402.432 0.632 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC(F)F 796472479 CWOQECTXRIICEU-LBPRGKRZSA-N 416.450 0.781 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](CC)C1)c1cc[nH]n1 805400131 OWPFJVSMCHEDSE-VXGBXAGGSA-N 400.457 0.118 30 20 HCED C=CCc1cc(C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)cc(OC)c1OC 813945687 MTGMHEUQELQPID-UHFFFAOYSA-N 411.480 0.571 30 20 HCED Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 813979673 YHMGNFMYTDAPHF-UHFFFAOYSA-N 400.420 0.605 30 20 HCED COc1cccc(OCc2nnc(S)n2N=Cc2cn(C)c(=O)n(C)c2=O)c1 839406120 MLNMKAMEGIKNKL-UHFFFAOYSA-N 402.436 0.434 30 20 HCED CN(C)C(=O)COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 915777645 MNTAWQSAEASNQL-UHFFFAOYSA-N 410.434 0.587 30 20 HCED N#Cc1cccc(OCC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 921152357 VRSYVVGQYPICHB-UHFFFAOYSA-N 404.404 0.940 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 1002924729 VVMGKVGAUHTNSG-SUJAAXHWSA-N 403.479 0.611 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccn(CCN4CCNC4=O)n3)C2)nc1 1209487110 QGKPBLGEKVDNGA-OAHLLOKOSA-N 410.438 0.860 30 20 HCED C[C@@H]1CS(=O)(=O)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1255938651 UWLZEIUUTZYYGE-IUODEOHRSA-N 404.448 0.409 30 20 HCED CS(=O)(=O)CCOc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1339772670 XMLYUMIOVLLBKO-ISLYRVAYSA-N 407.448 0.965 30 20 HCED COCCc1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 1340290607 AUEMRQMAEBTUTE-UHFFFAOYSA-N 407.452 0.723 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2cnc(C#N)cc2=O)CC1 1473049780 OXNCIDFIHHTBNX-UHFFFAOYSA-N 408.462 0.515 30 20 HCED CCCN1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1500918243 POPBCDASYCQVLW-IAGOWNOFSA-N 401.515 0.975 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1515289459 ZMAZWSWGDZZKCC-UHFFFAOYSA-N 419.511 0.280 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1548316343 LTQUFFHKNRXQFS-CQSZACIVSA-N 416.507 0.918 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCCS2(=O)=O)c1 1555987759 NDZHYVJWRAXHCE-MRXNPFEDSA-N 414.491 0.720 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1638137034 MTVADJLZJUMNCL-LJQANCHMSA-N 403.439 0.680 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)Cc1nnc2n1CCNC2=O 1644475165 VSQBFNWVEUBOFO-CQSZACIVSA-N 411.466 0.797 30 20 HCED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)nc1 1644576976 SMPULNUKNHRUCE-UHFFFAOYSA-N 414.491 0.544 30 20 HCED CN1CCC(CNS(=O)(=O)Cc2ccc(F)cc2C#N)(N2CCOCC2)CC1 1663861723 LTQDYXSAWMGTQJ-UHFFFAOYSA-N 410.515 0.913 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CC#N)CC2)C[C@@H](C)O1 1673509593 VTIJRUPVRDQRFY-HUUCEWRRSA-N 401.533 0.607 30 20 HCED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCN2CCCO)cn1 1696852284 XSBQOJQMVJUXPK-APWZRJJASA-N 402.478 0.967 30 20 HCED C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1698319816 PTUCPOCVPAZVBQ-HJFSHJIFSA-N 406.512 0.544 30 20 HCED CCN(CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1710142023 ZJCPISRBFSQUMZ-AWEZNQCLSA-N 407.500 0.674 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1729204611 ZAPSOMSWDPNIAX-MRXNPFEDSA-N 416.507 0.953 30 20 HCED CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1747608768 XKFJSOXPORQCLS-QGZVFWFLSA-N 407.475 0.597 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1752538449 LLRIRLGIJXEKDE-FUWXOQDFSA-N 402.495 0.485 30 20 HCED C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763219116 TYCYHALOKVLADR-LIRRHRJNSA-N 417.491 0.591 30 20 HCED CCN1CC[C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1767027142 HFLRPIPRBNPYGJ-HOTGVXAUSA-N 410.482 0.996 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1769841768 OKEOQLRMFAGQOD-GOSISDBHSA-N 423.495 0.763 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777952802 FJQIENYBBXGABI-YWZLYKJASA-N 414.466 0.974 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnnc3ccccc23)C1 1778530539 XLSBSZDKRRJXJD-XMSQKQJNSA-N 422.441 0.845 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n(C)n1 1779020592 SWKYTDJZFKCJAC-XOWGOQOESA-N 416.526 0.898 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779391357 AHYSTMUIDULFEP-UMQMUVBQSA-N 419.482 0.999 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)[nH]2)C1 1779784233 YFXVMEIUKIVIJI-FOIQADDNSA-N 420.466 0.752 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779955151 AEBPKAMGJNAWAD-DIFFPNOSSA-N 408.505 0.518 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnn4ccncc24)CCO3)c1 1780334277 ISGBSSXAKKLESZ-HXUWFJFHSA-N 405.418 0.686 30 20 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XTUALBCUOXWDDV-IBGZPJMESA-N 417.443 0.387 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840168316 MYMQFDNLXYIDRM-OAQYLSRUSA-N 411.462 0.831 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840233267 HZMKAQGCHGLBJH-KBXCAEBGSA-N 415.437 0.180 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840295603 XCHOCGNZIQCWHP-QFIPXVFZSA-N 419.522 0.649 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2ccnc2)CCO3)C1 1840428753 VXKAYIMDRXFCHD-UTKZUKDTSA-N 402.495 0.942 30 20 HCED Cn1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1Cl 1840814344 CWQVRESSRHWRBL-LJQANCHMSA-N 421.885 0.837 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CCC1 1840814906 LPUWUEHFUWFODH-LJQANCHMSA-N 417.422 0.687 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840843960 VSNMRIWVTWDSKC-HXUWFJFHSA-N 402.451 0.149 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)OC)C2)C1 1840844790 MAXYVHIQZUZPMM-NJNPRVFISA-N 418.490 0.612 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1840894944 XHKXFQUHIBNORM-KKSFZXQISA-N 400.431 0.335 30 20 HCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623114 HQPYLIBYIZZQSX-CQSZACIVSA-N 422.482 0.950 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CCC(=O)N1CCCC1)C2 1842919178 BYFADFCUVXVNLR-UHFFFAOYSA-N 403.527 0.874 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)Cn1nnc3ccccc31)C2 1842919335 VUSZXLCLIXYAEF-UHFFFAOYSA-N 409.494 0.917 30 20 HCED O=C(CCN1CCOCC1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300010 GKSUETVNCDHLPH-ORTNRGLGSA-N 408.499 0.441 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)cc1 52679995 QJLLPKZQZFMEEN-UHFFFAOYSA-N 401.511 0.685 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCNC(=O)c2cccc(O)c2)c1 110012536 HEYHJHOGGHHLNB-UHFFFAOYSA-N 415.471 0.854 30 20 HCED CC(C)(C)c1nc(CN2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)no1 409483475 ILCNWSDQNKPJMI-CQSZACIVSA-N 412.516 0.344 30 20 HCED C[C@@H]1CC[S@@](=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 433529701 KRENGSMCYMOFLM-YASQENCXSA-N 403.439 1.191 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 438218921 WQTJVLYURBELMD-MRXNPFEDSA-N 409.464 0.183 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCOC1 441923608 OOKRZTBRETVDJQ-UONOGXRCSA-N 400.504 0.798 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCCC2=O)cc1 445768342 RIZBPHGFRUXIRP-AWEZNQCLSA-N 422.507 0.559 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 463193098 NMXXXACXOOVYML-SFHVURJKSA-N 408.524 0.740 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 467126723 SBFNSWWZRBAKSG-UHFFFAOYSA-N 411.422 0.151 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H]2C)c1C 467305234 BVTJKCQHMZQVSD-LBPRGKRZSA-N 415.475 0.945 30 20 HCED CC[C@H](C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 468580584 VHMVZHKRCIUNIT-OAHLLOKOSA-N 422.507 0.727 30 20 HCED CN(CC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 468853076 DYHBEVQRNNYVQK-SFHVURJKSA-N 411.480 0.388 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 470000877 SYDYUNRIVSZABL-LLVKDONJSA-N 411.450 0.388 30 20 HCED COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471049570 ZXVUXHACDAZPES-MRXNPFEDSA-N 402.451 0.722 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC(O)(CC#N)C2)cc1 476826454 REQDZNTWCMDWKO-WBVHZDCISA-N 421.519 0.595 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3c(ncn(CC)c3=O)C2)c1 477896488 OERBLEBPPXMDFN-UHFFFAOYSA-N 402.476 0.926 30 20 HCED Cc1nc(Cn2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nn2)no1 486133303 YGWQGNHWEAPMBQ-HNNXBMFYSA-N 406.406 0.815 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 487756328 RUMPFBDAGYKAHA-HZPDHXFCSA-N 403.545 0.746 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1 491237204 QPYMTCWIHSWIJM-UHFFFAOYSA-N 409.284 0.834 30 20 HCED N#Cc1ccc(=NCC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)[nH]c1 498046043 CNJDQSVXNQKDEU-UHFFFAOYSA-N 402.462 0.657 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N(CCC#N)CCN1CCOCC1 502572392 UQWDSIOWLGMPNQ-UHFFFAOYSA-N 400.487 0.330 30 20 HCED COC(=O)[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C(=O)OC)C1 503885576 ONUXKASQZMFQRH-ZWNOBZJWSA-N 402.375 0.952 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C[C@H](C)S1(=O)=O 509825281 KAHJTDSBQBJGMP-DZGCQCFKSA-N 423.491 0.946 30 20 HCED C=CCN(C(=O)NCCCN1C(=O)CNC1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 518736256 JKXAHDAUPQKUKQ-AWEZNQCLSA-N 412.454 0.863 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 527357481 QBGUKKOBQWJQHD-UKRRQHHQSA-N 402.451 0.895 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](CN4CCOCC4)C3)CC2)o1 533432838 AATHZXIWIOLXTE-QGZVFWFLSA-N 402.499 0.157 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 536606513 OUDVBCJKRQRABL-LLVKDONJSA-N 416.406 0.638 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 537806817 BYYUFGURRQAAOI-MRXNPFEDSA-N 413.521 0.918 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)n1 538423867 VNWQRXYCARTKGG-UHFFFAOYSA-N 405.827 0.880 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H](C(=O)O)C[C@@H]1C(N)=O 548243905 DWWOXLKCZZBYDL-GZMMTYOYSA-N 405.354 0.916 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 554434080 CGDKLZFKEGXRBX-MRXNPFEDSA-N 417.897 0.986 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1 556527424 PHRMKMRGMQCLDV-ZDUSSCGKSA-N 410.438 0.601 30 20 HCED N#CCNC(=O)CNC(=O)NCCOc1ccc(I)cc1 558041710 YDTIDVKCMZCGAB-UHFFFAOYSA-N 402.192 0.609 30 20 HCED CCO[C@@H](C)c1noc(CN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 558534080 ZTPWEOHHPMJBJH-LBPRGKRZSA-N 407.452 0.976 30 20 HCED CNS(=O)(=O)c1cccc2c1CCN(C(=O)CNC(=O)c1ccc(C#N)cc1)C2 560781778 QVPBSFUTIDPOCJ-UHFFFAOYSA-N 412.471 0.781 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 562135599 APRRROSDWDGFCD-GFCCVEGCSA-N 404.370 0.116 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 568342274 WWSNLAICIJNNSL-CYBMUJFWSA-N 413.386 0.790 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1 568809116 QHLNCHKOWWKZGI-UHFFFAOYSA-N 419.484 0.483 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 570077594 AUWMBZALUHEZCB-ZBFHGGJFSA-N 401.442 0.377 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1=O 577997039 XEYVDBKKKTWHBC-OALUTQOASA-N 414.506 0.249 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 578692836 ITNANPDZTBHBPI-KBXCAEBGSA-N 411.462 0.249 30 20 HCED N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2)nc1 581167590 IBLPBPUPSLKOIM-ZDUSSCGKSA-N 408.461 0.443 30 20 HCED CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 583169110 LQCRZMDYJWJGIN-MRXNPFEDSA-N 422.493 0.968 30 20 HCED CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 584308203 VIZWGKXMEUSMKY-UONOGXRCSA-N 417.514 0.454 30 20 HCED CN1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC[C@H]21 584845768 PFYCPNNYLZXYSJ-VAMGGRTRSA-N 423.517 0.718 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)C3CCN(C)CC3)CC2)c1C#N 586851247 YYLUFRFKGVXMDU-CQSZACIVSA-N 401.515 0.095 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)n1 589414823 CPHBTPKXCQDCDP-HNNXBMFYSA-N 410.434 0.731 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)NC)C2)c1 603507512 FBADXLDFGCVQDR-HNNXBMFYSA-N 401.510 0.305 30 20 HCED C=CCCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 606139377 UDHBTRCNGYQPSN-UHFFFAOYSA-N 408.480 0.170 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 609571825 LUZGLWVXHFVVNS-QGZVFWFLSA-N 419.551 0.777 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CCN2C1=O 610601538 UWUHLTDLCYYPLQ-MRXNPFEDSA-N 418.475 0.873 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 615254122 OJIDXEQCANWLJK-AWEZNQCLSA-N 413.438 0.805 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 728573836 WZXWRZVOMCLJEU-UHFFFAOYSA-N 417.535 0.031 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](NC(=O)c2cccs2)C(C)C)CC1 729256841 JSVZBIAYNFSPHZ-GOSISDBHSA-N 404.536 0.786 30 20 HCED COc1cn(-c2ccccc2)nc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909665 DUPVUTRGIZGEOW-CQSZACIVSA-N 402.432 0.460 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)Nc3cc(O)ccc32)CC1 734750863 HOPPWEJNMXPXPT-UHFFFAOYSA-N 416.463 0.492 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 746616153 GJXPKRTUGOXHHQ-CQSZACIVSA-N 422.507 0.211 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O 750340579 ONZOPXAIJXNKKA-CYBMUJFWSA-N 405.794 0.965 30 20 HCED N#C[C@@H](C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)N1CCS(=O)(=O)CC1 751835802 HQKMGNZJHVQNBE-INIZCTEOSA-N 417.418 0.556 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)F)C1=O 751925620 SGCCTSHNGHDHJW-RENDPVAQSA-N 420.463 0.535 30 20 HCED CNC(=O)Cn1nc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 757821418 AGVMICOTRVROFS-CHWSQXEVSA-N 405.459 0.818 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)s2)c1=O 758089013 IRFMSZXMSXNWFB-UHFFFAOYSA-N 415.565 0.991 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 761030746 LQXNVBFLTSZIRX-CRAIPNDOSA-N 415.943 0.864 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 761110317 KYYUPFBWDPYRQS-UHFFFAOYSA-N 412.443 0.502 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 762535549 DUVRGNKPDDNVFK-UHFFFAOYSA-N 417.397 0.374 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCCC3)C2)cc1 762595315 ZRMXZURKLFNOPO-GOSISDBHSA-N 405.520 0.925 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OC1CCN(CC#N)CC1 770771044 IHIGLFRANCLUED-UHFFFAOYSA-N 423.491 0.861 30 20 HCED N#CCCCS(=O)(=O)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 776119265 GYKDOMFGXQMUAR-UHFFFAOYSA-N 416.477 0.761 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)Cc1cccc(C#N)c1 777301713 NNLMQYSBYYVZLX-UHFFFAOYSA-N 410.452 0.145 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1 783015816 XIFWMFOWQWMKBX-UHFFFAOYSA-N 403.501 0.030 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@]2(C)CO)cc1 784929843 TXGNTNLOOLWGNR-JIVYGXRASA-N 422.507 0.811 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(Cl)nc3)CC2)c1C#N 786613830 IYEOQFAEYYJXTP-UHFFFAOYSA-N 401.858 0.614 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 789810584 WZKMADJHGILJLI-HNNXBMFYSA-N 423.466 0.803 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)CC1 789934235 DGUZHIWNINXMLE-LJQANCHMSA-N 419.547 0.489 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1)c1cc[nH]n1 794573908 YAPPLEXHLNQCPQ-INIZCTEOSA-N 415.450 0.899 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[S@](=O)CCOC)c2)C1=O 799267704 UBEGUUBMUBDDEV-SFNQZPIRSA-N 421.519 0.766 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1cnnn1C 803220987 NITYHGVZUZOBSB-ZDUSSCGKSA-N 419.463 0.694 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)CC1 804890981 CZHBVNVVRMSMBD-UHFFFAOYSA-N 404.433 0.670 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)NCC(=O)N3CCCC3)C2)c(F)c1 805587558 JJSWCYFYVSMKJD-HNNXBMFYSA-N 402.426 0.805 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCCc2ccncc2)c1 805982820 YWQUPOBYESMXTK-HNNXBMFYSA-N 415.471 0.897 30 20 HCED CC1(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)OCCO1 806372429 OCVCJEUPXYHBKD-UHFFFAOYSA-N 403.439 0.342 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)[C@@H]1CCCO1 808528465 CNUWTWUQZLWOLZ-MSOLQXFVSA-N 421.519 0.534 30 20 HCED N#Cc1cc(O)cc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 811186897 CMLRURKYCHVWFT-RDJZCZTQSA-N 422.459 0.615 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)CNC1=O 912958341 DWBMTPIWTKGERP-UHFFFAOYSA-N 422.463 0.381 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 916870802 NTVOAZKNSDRTHM-LIRRHRJNSA-N 404.398 0.454 30 20 HCED COC(=O)C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1116231088 QXKSUUPTBRFNEF-HZPDHXFCSA-N 414.418 0.554 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1290553668 NNVIHTGAHMBZSW-TZMCWYRMSA-N 422.515 0.016 30 20 HCED CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1446136993 JLIGMKWTUSLSBU-JKSUJKDBSA-N 400.483 0.660 30 20 HCED CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](CO)O1 1451817468 WVXFCFRHJCHIHF-QGZVFWFLSA-N 421.519 0.957 30 20 HCED CNC(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1460773944 ZVFNJONBLAWMNN-CVEARBPZSA-N 404.540 0.850 30 20 HCED C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1509941955 XTYPOFLKLYNHHE-LLVKDONJSA-N 401.393 0.931 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 1638968410 OGAFCTFEHJFLOA-OAHLLOKOSA-N 401.535 0.976 30 20 HCED N#Cc1cn(CCNC(=O)CNC(=O)c2cccc(Br)c2)c(=O)nc1O 1646148869 XAKMZVXARXNBJL-UHFFFAOYSA-N 420.223 0.129 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837402656 JVGDPAKXMLCWRB-OXJNMPFZSA-N 409.458 0.797 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837870328 IDGWPUSYXCLRLW-JOCHJYFZSA-N 406.442 0.598 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837919540 BJLBBLAZOOLSFS-SFHVURJKSA-N 407.858 0.750 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(CC)n3)CCO2)C1 1838131350 DDGMABIEMQNYKV-FOIQADDNSA-N 405.451 0.345 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1838374609 XACJPDNLIJNPSR-OAQYLSRUSA-N 423.429 0.438 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)no3)C2)C1 1839224711 XEZDKYNCJNXVBF-DNVCBOLYSA-N 408.455 0.854 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839228786 OUACTNFOZYNDJP-JXFKEZNVSA-N 406.483 0.938 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1839583938 FGOQVFQPGKTCGO-DJJJIMSYSA-N 408.524 0.297 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1839667376 MLCCYLFYKGGBGT-KKSFZXQISA-N 416.478 0.232 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCCNC(=O)OC(C)(C)C)C2)C1 1839806228 GHOIBVRCOBFZOB-NRFANRHFSA-N 423.510 0.771 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1839810166 IHSCQQGLWYTAGP-LJQANCHMSA-N 405.382 0.366 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839888474 PFQHCTQUHUGJIQ-SFHVURJKSA-N 411.405 0.601 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1)C(F)(F)F 1839892845 CWMBOUMGLXLJJR-GUYCJALGSA-N 421.416 0.428 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160886 XCMRHVDBDWSQJI-AUUYWEPGSA-N 419.507 0.426 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1840161304 KOCRLRAMADSDJG-ORAYPTAESA-N 422.482 0.862 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840175319 KWWARTUVYCVJEK-OAQYLSRUSA-N 417.510 0.365 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840291836 ISQAUGLTDAIHEC-MSOLQXFVSA-N 420.428 0.950 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840292791 LJPYQLKQHQHUTH-OAQYLSRUSA-N 402.447 0.903 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415560 HOEXLYKIAPSUGW-YLJYHZDGSA-N 421.498 0.278 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840438360 ANYOLUPNHAJZKR-GJYPPUQNSA-N 410.540 0.855 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)CCC1 1840814499 NCZGSXTXKBDOOT-NRFANRHFSA-N 424.461 0.493 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1840843522 SZVHGOPAGXCJNF-NRFANRHFSA-N 402.447 0.884 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cn1ccc3ccc([N+](=O)[O-])cc31)C2 1846194649 BIMAXXKJSZIJKP-UHFFFAOYSA-N 410.386 0.841 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1847068776 FVLYFMQWCBBHOQ-AWEZNQCLSA-N 406.483 0.243 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(S(C)(=O)=O)cc1 1847803052 ORQGFHJEYDKQMO-MNEFBYGVSA-N 418.515 0.873 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 104868788 QUSNBVBJEZMNBN-QGZVFWFLSA-N 406.508 0.815 30 20 HCED CC(C)CCN/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305771640 RHHVLRPDMMIQHZ-UHFFFAOYSA-N 420.557 0.741 30 20 HCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC#N 427884378 TWRGTWAHWYVPQX-UHFFFAOYSA-N 424.479 0.463 30 20 HCED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 441614257 SGIYTVQWRRMUKP-UHFFFAOYSA-N 404.515 1.265 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)nc1 441944799 YEEXQKMISGIZPL-CQSZACIVSA-N 410.499 0.431 30 20 HCED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 442064292 SQONMLWVYPSAHD-CQSZACIVSA-N 411.466 0.381 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 444510397 DBWOXSSDIFWBME-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)on2)c1 448095756 YFVSDJFNXXWHHN-IRXDYDNUSA-N 416.459 0.129 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 462013786 LJXZVZGVKSRVCU-HNNXBMFYSA-N 405.422 1.108 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 462088617 JAALJSDGPSQROI-AWEZNQCLSA-N 407.438 1.322 30 20 HCED C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465185587 DVMRSCRZKMIOAX-CABCVRRESA-N 414.491 0.752 30 20 HCED CCC[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CCN1C(=O)[C@H](C)n1cnc(C#N)n1 467417479 GBJBOFAXUKWEEK-SOUVJXGZSA-N 424.469 0.275 30 20 HCED COc1ccc(C(=O)N2CCOC[C@H]2C#N)cc1S(=O)(=O)NCc1ccccn1 479820144 BHRQLZHBPKTODY-MRXNPFEDSA-N 416.459 0.933 30 20 HCED CN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 480136607 OHGABVDKPMFIEG-KRWDZBQOSA-N 404.492 0.696 30 20 HCED N#CCCn1cc(C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c2ccccc21 482066605 GIIMYECMKAUBMQ-MRXNPFEDSA-N 408.418 0.765 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)cc1 482668888 HDCSFSLQAGAGHQ-INIZCTEOSA-N 414.491 0.855 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 484720041 KHNLURBGJLQLKA-DLBZAZTESA-N 420.535 0.947 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OCC)CC2)cc1 493769407 RMSPGNTVDAHPRM-UHFFFAOYSA-N 418.450 0.849 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 497327582 PHALWJBEWQLORR-TZMCWYRMSA-N 411.505 0.732 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CCO1 499675505 LDIARBZYTOHYOF-ZACQAIPSSA-N 418.475 0.105 30 20 HCED N#CCC1(O)CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 506376495 DZKHDFKLPXHAPC-FQEVSTJZSA-N 418.453 0.987 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 508652166 HMXSNNOWVZUQCU-UHFFFAOYSA-N 413.434 0.921 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 514032506 HVSSSSDBHXWEKU-UHFFFAOYSA-N 406.512 0.456 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 515693566 NGPOIAPNGAKDLD-CYBMUJFWSA-N 406.464 0.578 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2SCCc3ccccc32)CC1 519838222 GCIWYKPOCUXGEE-SFHVURJKSA-N 416.547 0.580 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NCc2cccc(C#N)c2)C1 523606526 ZSNGHAIAYMHGBL-GOSISDBHSA-N 400.479 0.908 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC(N)=O 525686843 WBXGOYJPEZKADQ-LBPRGKRZSA-N 424.482 0.394 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 536078107 KPFZTYFMYUHCMX-GOSISDBHSA-N 421.457 0.007 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)NC1CCCCC1 536482344 PNFXCFHUHVBOAA-AWEZNQCLSA-N 421.523 0.973 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cc(S(N)(=O)=O)cn3)C2)c(F)c1 539530670 LYCKYRZANVJPFK-CYBMUJFWSA-N 406.443 0.326 30 20 HCED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542998637 RZPSKNFDKPBVSO-DGCLKSJQSA-N 403.826 0.944 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CC[C@H](O)[C@H]3C2)CC1 543182273 XGKGZNXCEFYJKX-BZSNNMDCSA-N 418.519 0.094 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 543933942 ZVQRMXNMTXPXQZ-ZDUSSCGKSA-N 417.433 0.809 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 548604038 HNXAAAUQSFFQAO-UHFFFAOYSA-N 407.854 0.916 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 559985814 AWXDRCLCQWNIQH-OAHLLOKOSA-N 423.429 0.940 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)ccc1C#N 565510528 HCYJAFORPWGVJG-UHFFFAOYSA-N 421.413 0.874 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCN1CCc2ccccc2C1 572503432 VNINGBVBHSESSV-UHFFFAOYSA-N 423.521 0.819 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)(F)F 578089384 KOJBEOVAQLZFBR-GFCCVEGCSA-N 406.386 0.227 30 20 HCED CC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 583893618 HNQLFAURIOKLQI-SFHVURJKSA-N 411.462 0.251 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccccc2)C(C)C)CC1 584734590 BYDZEVQNLMDFDW-IBGZPJMESA-N 400.523 0.989 30 20 HCED Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 588865700 FDTAJMHEHZROAV-QGZVFWFLSA-N 406.446 0.717 30 20 HCED CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCO1 612491922 AFLIAEVZORLXOB-ROUUACIJSA-N 420.535 0.938 30 20 HCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NC[C@H]2COc3ccccc3O2)cc1 726788271 DHUNJQOPHCAZFC-AWEZNQCLSA-N 419.459 0.683 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)c1 730396233 OBPBNQGOKHRCKJ-XSOQZJFOSA-N 408.480 0.685 30 20 HCED C[C@H]1Cc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc2N1S(C)(=O)=O 731863433 WIKURFAYGZEPOT-WVOMEGHKSA-N 418.475 0.653 30 20 HCED COC[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 740508323 UQSFBEYJOJJBIH-HGNXGAGXSA-N 422.507 0.933 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCOC)c2=O)cn1 743725259 LIXOUSKOBKQIOX-UHFFFAOYSA-N 418.519 0.517 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 746272444 NVZNRSSWEJSYKT-VHEBQXMUSA-N 418.475 0.743 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1 748753751 LVHMTEBLAJBWKH-MRXNPFEDSA-N 407.517 0.639 30 20 HCED C#CCNC(=O)[C@@H](C)On1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc21 749780817 YQPLOKPPRPVUBI-QLFBSQMISA-N 419.507 0.664 30 20 HCED Cc1cc(C(N)=NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)ccc1F 749788686 DIULBADACBUUAP-UHFFFAOYSA-N 407.490 0.830 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 752440631 ZKVFWCJXSCVFJR-AWEZNQCLSA-N 422.484 0.650 30 20 HCED CCN(CCS(C)(=O)=O)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753735507 WHBDBMVWUGQHGT-LBPRGKRZSA-N 401.510 0.397 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1=O 753739341 FNWLEUYIFATSRY-UHFFFAOYSA-N 404.398 0.460 30 20 HCED CC(CO)(CO)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 754866749 XZMKMLJHFPJGLU-AWEZNQCLSA-N 419.478 0.890 30 20 HCED 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20 HCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CC(O)C2)C3)ccc1F 1799324394 IBNIKLVXDQPIJZ-ZEBBHPIMSA-N 401.438 0.600 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)C2 1799394790 UEEFFBHKKVDDCO-HZFWPQPFSA-N 406.527 0.717 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)c(Cl)c1 1799749068 IQWJHAPBKBJPCJ-ZDFLXESQSA-N 416.865 0.693 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)n2cnnn2)C3)c1 1799803301 KFGLWYWUWJTJJX-RUGDWHBFSA-N 409.450 0.318 30 20 HCED CC(C)(C)c1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cn1 1800778269 KNQJQFHIOXCBHD-IVWMJMPLSA-N 400.435 0.065 30 20 HCED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(C#N)cc12)n1cnnn1 1800879158 CTFIDXGFZSCNGS-MHEUCROKSA-N 419.449 0.934 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@@H]2c2cccnc2)ccc1F 1802921467 CFAFQMZUTSHQMQ-KXBFYZLASA-N 412.421 0.652 30 20 HCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803454511 OKXBNZYRQLXBQQ-OXQOHEQNSA-N 418.457 0.704 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CC(=O)NC)[C@H]1c1cccnc1 1808433884 XFNSCRFMZUYBGN-JXFKEZNVSA-N 416.478 0.733 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCC2(CCCN(C(=O)Cn3cnnn3)C2)CC1 1810161292 OSQFCJZRMQLTQR-UHFFFAOYSA-N 423.477 0.855 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1814976412 MADBVOBLGLUUHP-AAEUAGOBSA-N 418.523 0.616 30 20 HCED CC(C)(C)OC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661303 NYIXTJQDEYOMAA-SNVBAGLBSA-N 407.448 0.875 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831406163 XEKVVONBNDQNTQ-OAQYLSRUSA-N 419.478 0.373 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1831420306 WHPAHBGFNLFIGH-GHTZIAJQSA-N 420.510 0.547 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1831424461 JTSQPFLHDAMLPD-UWJYYQICSA-N 403.479 0.672 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1831486156 ULSGRIZHGPSRMO-APWZRJJASA-N 409.508 0.812 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)C(F)F)CCO3)c1 1832192103 QETMBTUIXAJNFP-INIZCTEOSA-N 418.347 0.857 30 20 HCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)no1 1832791423 FZSQPUGRQNOYJV-FZKQIMNGSA-N 412.512 0.510 30 20 HCED NC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C/N=C/c2ccco2)CC1 1832937500 RKTXBUITJJXQBD-ORWNMUSCSA-N 403.483 0.987 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786980 PZUZESIXDMACBR-ZDUSSCGKSA-N 424.527 0.681 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncnn1C)CCO2)C(F)(F)F 1833845414 OTJAPZBRGOJTSE-HNNXBMFYSA-N 403.361 0.004 30 20 HCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)cn1 1834524470 IDSWJRDSRBFAGZ-QFBILLFUSA-N 424.523 0.510 30 20 HCED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834979086 ZUEKXWGQODHPND-NRFANRHFSA-N 401.463 0.594 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095827 GZPWSRGDWKMSCG-WMZHIEFXSA-N 410.470 0.533 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347854 HRXWJBGAJBDHRM-UZLBHIALSA-N 401.467 0.279 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)c1 1836225090 OMIVHSBKVKWQRA-NQIIRXRSSA-N 417.437 0.946 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(Br)n1)CCO2 1836565856 OUGVFBQAWMDEDG-HNNXBMFYSA-N 414.281 0.609 30 20 HCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)C(C)C 1837223879 FBRVXADAKZJZSF-DHSIGJKJSA-N 402.513 0.349 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1837394618 FCHVMSXTRYTFNL-OXQOHEQNSA-N 406.483 0.063 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838030528 CZXSGGXKZZMSFQ-GOSISDBHSA-N 411.409 0.898 30 20 HCED Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838204712 ZSURGGMZDHHIMD-OKFCBPFISA-N 419.482 0.525 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838474181 DCHIIZXEQHHSJB-NRFANRHFSA-N 413.430 0.294 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)cc1 1839721922 MNLXEAKZKZVBAC-OAQYLSRUSA-N 409.446 0.594 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)C(F)(F)F 1839894617 IJCVUPLGELQJPN-CXAGYDPISA-N 419.400 0.088 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1840158369 KTPIGCBQUARHEM-KUHUBIRLSA-N 411.499 0.928 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840168653 WSLIJUJZFSNAAM-NRFANRHFSA-N 411.462 0.603 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1840292808 MKIOLFBLCUREHK-NRFANRHFSA-N 402.495 0.992 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840956659 KCNQVZWFRGSVIG-IBGZPJMESA-N 407.467 0.133 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1841597942 DJGGTZRNSYMJBW-OAHLLOKOSA-N 404.488 0.945 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n(C)n1 1842203266 FTNWQNMINIQUAF-MLHZQLSASA-N 405.455 0.775 30 20 HCED COc1ccc(OC)c(CCC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1 1842785319 NNWVFIXFAHBFMY-UHFFFAOYSA-N 400.431 0.928 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CCc2nc(N)n[nH]2)C1 1844184616 ALAKVMFWANNFBU-UHFFFAOYSA-N 409.450 0.474 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)ccc1F 1848130186 RFJQOKWHXOLGLA-PMPSAXMXSA-N 413.409 0.040 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c1=O 45555855 SAFDCFPMEZMLIY-UHFFFAOYSA-N 413.390 0.041 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 109356446 CLIVCWCUZBGHRF-MRXNPFEDSA-N 421.505 0.967 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 409512801 YTIZKPYABYCGDO-UHFFFAOYSA-N 404.489 0.612 30 20 HCED CCN(CCC#N)S(=O)(=O)N[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 410413802 LZYBASYCANAPAS-MRXNPFEDSA-N 411.532 0.277 30 20 HCED C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 427792110 ZAVBYQMGICJMOL-CQSZACIVSA-N 422.550 0.860 30 20 HCED C=CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 428863260 XLIXYWOVVFUVBD-UHFFFAOYSA-N 401.492 0.793 30 20 HCED C[C@H]1CCS(=O)(=O)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 433255612 HYXCUPJNUKRGPC-JKSUJKDBSA-N 410.565 0.966 30 20 HCED CN(CCCCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434676239 QJBIYVQTQYAJLT-UHFFFAOYSA-N 408.524 0.486 30 20 HCED N#Cc1ccsc1N1CC[C@H](N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1=O 435029708 ZLXGIGJVGJQBKN-HNNXBMFYSA-N 421.504 0.861 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)n1 438719324 STMBTFDTGHXLRS-UHFFFAOYSA-N 409.450 1.548 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)C1=O 440278339 ZZEXHPDVWKYBGY-INIZCTEOSA-N 412.446 0.914 30 20 HCED COCCCOC1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 441291172 YPNSVYBVQUXEDN-UHFFFAOYSA-N 401.398 1.085 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 441939400 XOFBHPPETFMUHA-HNNXBMFYSA-N 410.499 0.467 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 460720720 WYTRVAJEYBTQMY-IAGOWNOFSA-N 424.461 0.856 30 20 HCED N#CCN1CCC(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 464801459 KOSZHJUASHLJRW-UHFFFAOYSA-N 401.452 0.063 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC[C@H]1COc2ccccc2O1 464856021 ICFSMOXUZCBUSU-CVEARBPZSA-N 408.462 0.815 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465063518 AVYAFYIMJXLEAT-JKSUJKDBSA-N 413.521 0.307 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 470000878 SYDYUNRIVSZABL-NSHDSACASA-N 411.450 0.388 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)ccc21 471062667 SFGAPNBHTZTDBP-MRXNPFEDSA-N 424.461 0.444 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3nnnc3O)cc2)cc1 473242140 GGSRKFLEHLDCKH-UHFFFAOYSA-N 413.419 0.812 30 20 HCED C=CCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 474212875 XXOZQLDNANNQIY-HNNXBMFYSA-N 401.419 0.596 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C 480245021 ADTLCBZSRNYLMK-UHFFFAOYSA-N 416.459 0.401 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480939584 SDVKFUMRXRDDLP-UHFFFAOYSA-N 401.473 0.432 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccccn3)c2=O)cn1 489044475 RQIMWDWMYKVOHT-CQSZACIVSA-N 421.482 0.619 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 504607105 OGICVFQHPWVPCR-SFHVURJKSA-N 411.462 0.865 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C 508559893 ZAXHDXHJCNYKDE-LBPRGKRZSA-N 407.475 0.763 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 508997846 KZNCJDNKOYZCFX-HNNXBMFYSA-N 420.543 0.808 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)n1 513016584 DLHKNFHHFPQLKF-UHFFFAOYSA-N 422.424 0.889 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 516407816 NFUUVYJCMGBIFA-UHFFFAOYSA-N 408.480 0.802 30 20 HCED CC(C)C(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518006177 BWVYHXVCQAMGTK-UHFFFAOYSA-N 407.496 0.346 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1 518320582 WGOYWJUCGAUGCS-UHFFFAOYSA-N 408.524 0.433 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1Cc1ccon1 519574349 JDWISDFALIQBQK-UHFFFAOYSA-N 414.418 0.343 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 521258656 CJABSCMCDIAAPV-ZDUSSCGKSA-N 401.510 0.292 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 525873965 RALZUFTVBNLMSM-UHFFFAOYSA-N 413.434 0.884 30 20 HCED CC[C@]1(C)COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534118048 LHYSMMHSQGCZJK-HXUWFJFHSA-N 420.535 0.892 30 20 HCED C=CCCOCCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 537195271 MTOSAJRPCYWVFY-UHFFFAOYSA-N 413.496 0.974 30 20 HCED C=CCN(C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)[C@@H]1CCS(=O)(=O)C1 540538629 VMYOXRVXAWMAON-OAHLLOKOSA-N 406.464 0.945 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 550660050 IQMCNSWHJUYWNM-ZLQJMPCFSA-N 405.458 0.743 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 550692572 XJMINLSPCJKLDH-OAHLLOKOSA-N 403.458 0.183 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)C1=O 552936485 CPDINHIAGNCVQZ-APWZRJJASA-N 414.506 0.883 30 20 HCED N#Cc1ncn(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 553167608 PDYRTKKNLCFDDL-CQSZACIVSA-N 419.423 0.027 30 20 HCED C=CCN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 553230306 VZNKQQAXNHPPNF-OAHLLOKOSA-N 400.522 0.381 30 20 HCED CC(C)N1C(=O)N[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC[C@@H]21 557283304 AOIWHOIHLHKGNV-SJORKVTESA-N 419.507 0.582 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CN1C1CC1 558057734 UGVWCKFCHRXLGM-SIXWZSSISA-N 409.490 0.911 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)C(C)C 559865763 UDSPDVIMZQRKMD-SFHVURJKSA-N 400.527 0.940 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O 560769072 VAEBWJPGKJVPKD-HNNXBMFYSA-N 408.476 0.654 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)c1C#N 560841366 PZZLJGHBCFKIIZ-DYVFJYSZSA-N 413.507 0.925 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3Cn3ccnc3)C2=O)cc1 561707758 SMDYLYLSFSRKFI-RTBURBONSA-N 420.473 0.663 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@H]3c3ccccc3)CC2)c1C#N 569162595 VLYUCGBJDQCQRI-MOPGFXCFSA-N 422.489 0.895 30 20 HCED CCn1nccc1N1CCC[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 574737360 HEECHGGYNRUEIP-HNNXBMFYSA-N 413.486 0.850 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N(C)Cc1cnn(C)c1 579743399 BNXLXMKZQMAUIA-UHFFFAOYSA-N 415.479 0.692 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnc(CC4CC4)nc3)CC2)c1C#N 583618723 ZVRJHEPFLYEGRU-UHFFFAOYSA-N 408.466 0.630 30 20 HCED Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1S(=O)(=O)NCC#N 609414541 WVUCMORRXLYXLO-SJORKVTESA-N 406.508 0.468 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(S(=O)(=O)CCCC#N)CC2)c1 609541604 VMNGJCWKOJNZSK-UHFFFAOYSA-N 417.509 0.644 30 20 HCED N#C[C@@H]1CN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 609626475 CBVCVFDMATWSSZ-QGZVFWFLSA-N 414.487 0.949 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CCO)C(C)(C)C2)cc1 682065133 MNDLISDINWPSSP-UHFFFAOYSA-N 403.483 0.848 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1=O 684920215 KJHJAAVJLPFHNM-INIZCTEOSA-N 413.521 0.535 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(CCNC(C)=O)C1=O 726394852 HWSYRNHIFLJKGA-HNNXBMFYSA-N 408.480 0.908 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 728154680 OMSFQBSXJPZEQQ-HNNXBMFYSA-N 401.444 0.927 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1cccs1)N1CCOCC1 732439810 QLISYKGICHERFZ-MGPWXQLLSA-N 419.507 0.947 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 732795306 AWJCTXKOXPQRSG-UHFFFAOYSA-N 403.508 0.361 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCCC2)c1 735590109 BLHYJYCABQVVMV-OQKWZONESA-N 421.523 0.650 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742050316 HJKLOILFWZMQRI-CYBMUJFWSA-N 417.491 0.440 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)CC1 747992249 YGYAOKNSUZCAFA-UHFFFAOYSA-N 417.462 0.647 30 20 HCED CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 752768435 NVQSROBQXJBPRU-HNNXBMFYSA-N 422.507 0.259 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758050117 NFDHPLDWFJJELO-UHFFFAOYSA-N 408.439 0.577 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCSC2)CC1 762029116 QHBPURDWTYBVAS-OAHLLOKOSA-N 423.516 0.687 30 20 HCED C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)NC1(C#N)CCCCC1 762391374 GJEZSSBMVGJZJV-CYBMUJFWSA-N 406.464 0.758 30 20 HCED C[C@H](CC(=O)NCCCCN1CCC[C@H]1CO)/N=C1/NS(=O)(=O)c2ccccc21 763068978 GVBWFJGHKBSXNV-CVEARBPZSA-N 422.551 0.857 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccn(C)c2)c1=O 763435332 NFFSNYJPFCUCJM-UHFFFAOYSA-N 400.504 0.266 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1Cc1ccon1 765144925 BZLNCDGXAIBFOT-UHFFFAOYSA-N 413.484 0.516 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCC(F)(F)F 767628468 RLWOHEIFQXURAR-NXEZZACHSA-N 407.370 0.835 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)ccc1F 770893059 BLPFDEGICHDEKF-ZDUSSCGKSA-N 419.500 0.444 30 20 HCED C#CCNC(=O)C1CCN(c2cc(N3CCC(C(=O)NCC#C)CC3)ncn2)CC1 772022197 UQOPJJQQFHXCMO-UHFFFAOYSA-N 408.506 0.408 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 774014449 XEGABPAURJYMEH-ZBFHGGJFSA-N 408.426 0.649 30 20 HCED Cc1c(C(=O)NS(=O)(=O)CC(C)(C)C#N)nnn1-c1ccc2c(c1)OCCO2 776135541 FKCXAULFLDZRLK-UHFFFAOYSA-N 405.436 0.956 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)N3CCC4(CC3)OCCO4)C2=O)cc1 779957732 FPTZMNRZJDXNQJ-QGZVFWFLSA-N 420.491 0.727 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)C[C@@H](C)O1 780657111 IXXSJOWIBCNFKH-GASCZTMLSA-N 422.511 0.134 30 20 HCED C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(C)(C)O 781860345 TWOZRPNEVDSTHE-CABCVRRESA-N 422.551 0.807 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1N1CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 783480793 UUHSEKUIJMHIRM-MRXNPFEDSA-N 418.519 0.026 30 20 HCED CN(CC(C)(C)O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784820170 ZLTBSUGDQCOEPW-HMMYKYKNSA-N 410.496 0.667 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 785555592 SDGLUGHPFHYZLT-ZBFHGGJFSA-N 400.460 0.827 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccn2)CC1)c1cc[nH]n1 789951067 XAZJXSDOTMFYBD-UHFFFAOYSA-N 400.439 0.433 30 20 HCED Cc1nsc(N2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 793447477 MFPNPALMFPAMFS-GFCCVEGCSA-N 400.551 0.892 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(F)c1 802561210 SDTMSKIXURIPPM-YXAMBPQSSA-N 413.380 0.808 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)CC1 805061488 JLYGSWMDINOFRJ-UHFFFAOYSA-N 402.470 0.826 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(C(C)(C)O)cc3)CC2)c1C#N 806732778 USWTWOYVAIWIKY-UHFFFAOYSA-N 424.505 0.793 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1)[C@H]1CCCO1 809313566 VTMDGGXZYJJWBX-SJLPKXTDSA-N 423.473 0.277 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)COCc2nncn2C)c1 815046123 IRNWJCAFTSVFMW-QNGOZBTKSA-N 406.468 0.783 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815602103 ODUOTQBNHFZTRO-UHFFFAOYSA-N 417.368 0.722 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CC(C#N)C1 817555025 UHEXYPUSOGASDS-BSDKJSHOSA-N 411.505 0.362 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 918391831 OCBVJVDEJVQIFL-UHFFFAOYSA-N 409.471 0.827 30 20 HCED Cn1cnc([C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 993527968 CDXSPBCGVJPTIW-YOSIWLQUSA-N 420.473 0.768 30 20 HCED Cn1c(=O)[nH]c(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)c1=O 1186397250 OZBKXYRBXZXEDB-ZDUSSCGKSA-N 404.471 0.077 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318903838 VUQVSJRLXYENQE-KRWDZBQOSA-N 414.462 0.245 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C1 1320723259 QZFYUMYFURLJAM-MRXNPFEDSA-N 407.478 0.811 30 20 HCED CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCN(CC(F)(F)F)C1=O 1338958910 JUTVZGHRGGPZAS-LRZCVGBLSA-N 403.361 0.317 30 20 HCED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)N1CCS(=O)(=O)CC1 1346027576 SFNCSJPKSVXSNG-LBPRGKRZSA-N 420.415 0.262 30 20 HCED CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1=O 1471033592 ZBBSQBPGYHERCD-HUUCEWRRSA-N 415.498 0.389 30 20 HCED CC[C@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1496115523 JRTNKHFEWIKIQT-RRFJBIMHSA-N 413.548 0.347 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1505140308 UYYTXBGBUZMNIY-OAGGEKHMSA-N 424.527 0.672 30 20 HCED Cn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)cn1 1618412346 MHRIBZQCDFWGBI-CQSZACIVSA-N 412.479 0.780 30 20 HCED CC(C)OC(=O)CNC(=O)[C@@H](C)SCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1641198898 RKWMFOQOTAVQAZ-CVEARBPZSA-N 412.556 0.868 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1729739844 URRCLTCDXSNPPX-OAHLLOKOSA-N 404.496 0.839 30 20 HCED C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1771369619 PCSFFKHJGJXSFU-MUWSIPGASA-N 415.479 0.565 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1779244986 ZZSQQOGHQDTHSK-NRFANRHFSA-N 403.479 0.734 30 20 HCED COc1ccc2[nH]cc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2n1 1780047169 YQRGHXPVISAJHW-HXUWFJFHSA-N 412.402 0.103 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1780100646 HKZQCTXVTFLLGD-OAQYLSRUSA-N 415.494 0.111 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c1 1780331931 COULQWVVJKHHOL-LJQANCHMSA-N 410.390 0.132 30 20 HCED Cc1nn[nH]c1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298757 SYUFJALYQQGNLV-FQEVSTJZSA-N 412.425 0.810 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1781392080 XKYNTIHPMLPXHJ-XOBRGWDASA-N 417.466 0.425 30 20 HCED CC(C)CNC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781964354 ZUZPSIUFLOCCFC-NRFANRHFSA-N 416.453 0.913 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@H]3CCC(=O)N3)CCO4)c2c1 1782194639 LHQAAAUCSRTDPI-IERDGZPVSA-N 422.445 0.157 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1782731795 DAPRSUILFAKCNG-LGSQHAHFSA-N 403.504 0.550 30 20 HCED C=C(C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1)C(F)(F)F 1783205577 YESPEUQFNYOKLM-INIZCTEOSA-N 405.373 0.777 30 20 HCED C#CCCCC(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783903174 HSAPFIKKRYOUGJ-NRFANRHFSA-N 400.479 0.768 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H](C(=O)OC)C3)[C@H]2C1 1784077033 SJSGVPCYSRODEM-SGYMCOKNSA-N 420.506 0.594 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(OC)n3)C[C@@H]21 1784478810 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C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4c3CCC4)[C@H]2C1 1790391477 FUSOSJJUTQGETP-OYSPMZIOSA-N 416.522 0.996 30 20 HCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1791269377 ORVUDNIXBDCLPV-BQFCYCMXSA-N 423.473 0.486 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C[C@@H]32)CCC1 1792139137 QPJIQOLZIANKLC-BPUTZDHNSA-N 416.438 0.465 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833522 AXVCGGDJAJRVGX-WEMPKCCASA-N 424.501 0.701 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CN)C2 1793832138 WLGQRHVKWUXBMU-XFIYOXNOSA-N 409.531 0.380 30 20 HCED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCc2ccc(C#N)cc2)C3)cc1O 1794322994 GZDPQEWLMCIRLX-UPHUGPLXSA-N 423.473 0.833 30 20 HCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1795078546 DZGNBUQGYCQGFI-HBCWATKFSA-N 410.430 0.176 30 20 HCED 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C=CCOC[C@@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OC 481788069 XHJFFSGDMVEDFO-QGZVFWFLSA-N 410.492 0.391 30 20 HCED N#CCCN(CCN1CCOCC1)C[C@H](O)Cn1c(-c2ccccc2)noc1=O 484901328 ZDAANGACJLBFHV-SFHVURJKSA-N 401.467 0.412 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H](CO)[C@@H]3CCOC3)n2)c(F)c1 485320778 KPEOBTNRHBDRNK-KGLIPLIRSA-N 401.398 0.583 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 497490978 BIYHMWGFPLVXKF-OAHLLOKOSA-N 418.523 0.877 30 20 HCED CC1=CCN(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 498852458 GIGQPNVGLAXMET-IBGZPJMESA-N 409.490 0.544 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(C3CCOCC3)cs2)CC1 498999429 HSQFJFKKDADXNC-UHFFFAOYSA-N 421.523 0.422 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCSC 505682291 DCVVVUFNLWAKKU-UHFFFAOYSA-N 403.533 0.120 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)N[C@H]2CCOc3ccccc32)nn1CCC#N 506750976 OALXIJPEKKSZQF-HNNXBMFYSA-N 410.434 0.800 30 20 HCED COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 513033912 BCNSTGAEGGEJHH-JTQLQIEISA-N 407.379 0.188 30 20 HCED CCOc1ccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 513443555 IUVJAJNQOWCXCG-UHFFFAOYSA-N 416.459 0.990 30 20 HCED CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)c2ccccc2O1 517328492 HILPARKBVMZLNZ-CRAIPNDOSA-N 414.462 0.836 30 20 HCED C[C@H]1CSCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 517546831 GBGPYCJDQIVKAY-RHSMWYFYSA-N 400.504 0.987 30 20 HCED Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n(CCC#N)n1 520112731 OFUSSQGZGUSWIW-UHFFFAOYSA-N 416.463 0.478 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)cc1 524430905 NUTYRAQIJHCBSA-UHFFFAOYSA-N 424.523 0.853 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)nc1 532394275 VUTWGZOLRGXFHD-UHFFFAOYSA-N 422.441 0.624 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 537003043 BXKXOGZVYADXIW-OAHLLOKOSA-N 415.498 0.213 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnc(C)nc2O)cc1 543211831 QEZUCYYUAOPCRZ-UHFFFAOYSA-N 419.463 0.552 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 543770676 JCFIZGCXGLMZTJ-UHFFFAOYSA-N 400.478 0.851 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543920419 XFKHCULUCLLDBQ-UHFFFAOYSA-N 406.443 0.399 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1=O 544730691 HIWPLEZMMLLYNS-OAHLLOKOSA-N 401.510 0.013 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)nn1 544755450 RNTDEYKDHPLVJR-UHFFFAOYSA-N 400.370 0.878 30 20 HCED Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551608838 ZGEWYLUAOGUAKJ-FZKQIMNGSA-N 408.462 0.695 30 20 HCED CN(CC(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 552331868 PKAVGPIMXSMDMR-HZPDHXFCSA-N 413.521 0.651 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C(=O)NCCCCC#N)CC1 553612183 WDKFCEALCSPGRJ-UHFFFAOYSA-N 421.523 0.049 30 20 HCED COc1ccc(CCN2C[C@H](C(=O)NCCn3cnc(C#N)n3)CC2=O)cc1OC 560758375 JKOSTQLUEZUWTP-OAHLLOKOSA-N 412.450 0.374 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 571629967 YUEMTOFRJQDYSQ-GUNSETOZSA-N 416.503 0.587 30 20 HCED Cc1cnc([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 574313376 QQPPJDBPUIWECC-ZDUSSCGKSA-N 401.496 0.891 30 20 HCED C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)Cn1cccn1 584795642 SJQOVJPUUCGHMJ-QAPCUYQASA-N 408.462 0.819 30 20 HCED COCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 598912798 ZACBBQGHCRHAMR-CQSZACIVSA-N 419.551 0.816 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1cccc(C#N)c1 610722428 YYBPYNNNJHDQKA-CQSZACIVSA-N 410.434 0.429 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)N(C)C)ccc1F 727382982 RDVPZNRFGWCAGA-CYBMUJFWSA-N 401.485 0.893 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 727464853 YHZPRFOLSGLRJQ-UHFFFAOYSA-N 422.511 0.531 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732466032 JQLPPFXFZAXVSD-HNENSFHCSA-N 411.462 0.989 30 20 HCED Cc1ccc(-n2nnc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)cc1 732910822 SPCWWAKGGKCGJM-OAHLLOKOSA-N 401.448 0.464 30 20 HCED COc1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc(O)c1O 734750269 NTDJKHHSEDHNRO-UHFFFAOYSA-N 421.479 0.884 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C(C1CC1)C1CC1 734827822 KNKWMMXPRKSIJM-UHFFFAOYSA-N 409.515 0.810 30 20 HCED COC(=O)c1ccccc1NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741342470 VTKWAUKKESEWLR-ZCXUNETKSA-N 401.375 0.871 30 20 HCED CC[C@@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)N1CCCC1=O 745692734 XWXVFBZQXHKWFT-HNNXBMFYSA-N 403.439 0.448 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)cn1 746381464 JAHFQWPNJJXEOX-UHFFFAOYSA-N 411.418 0.938 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC)CC1 747736015 HAZSAWMXRSLBJV-UHFFFAOYSA-N 423.473 0.996 30 20 HCED COCCN1C(=O)c2ccc(C(=O)NCC3CCN(CC#N)CC3)cc2S1(=O)=O 748329189 GARQPOYGXWUCBZ-UHFFFAOYSA-N 420.491 0.443 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cccc4cccnc34)CC2)C1=O 748547841 KJVZSFIYXKPZMI-UHFFFAOYSA-N 421.457 0.856 30 20 HCED COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1OC 751552759 FUBVTCUCZQSGSZ-UHFFFAOYSA-N 412.471 0.350 30 20 HCED C=C[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 757288442 CSIUUJNSSXZHIU-LBPRGKRZSA-N 416.450 0.990 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 757580212 UMRDZCJODBPDHS-NOTNZGAASA-N 403.439 0.778 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 757584217 WIWLKYSXMYNSFW-WQAPVAGSSA-N 414.462 0.669 30 20 HCED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761520508 DRNIGXBHPGHQAO-UHFFFAOYSA-N 405.430 0.289 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1 761706374 MPEHHDXQCHAMKV-SFHVURJKSA-N 421.519 0.161 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cc[nH]n1 772394683 AIJOWEXNVJHWLZ-SJORKVTESA-N 421.498 0.578 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCCO1 773560441 RLQGGIKYZGMVJT-QZTJIDSGSA-N 407.492 0.892 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCCO1 773799134 UZHHLPOXTGVOJU-DLBZAZTESA-N 405.476 0.157 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 773983040 DOFBTJPKXCITFS-MRXNPFEDSA-N 421.413 0.724 30 20 HCED C#C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)[C@@H]1CCCO1 775666843 QKDVXMQJUDOZLK-ZBFHGGJFSA-N 413.434 0.482 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782250328 TVQBGOKVFCUBER-UHFFFAOYSA-N 402.457 0.542 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O 782932396 JDOPKBFPFOLRAM-CABCVRRESA-N 415.498 0.942 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCNC(=O)[C@H]1c1c(C)nc2ccccn12 783224789 WLABASITNYVMSS-MRXNPFEDSA-N 405.480 0.426 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 783482133 VENSNZCRMFJLAN-GJZGRUSLSA-N 406.460 0.442 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 783539865 TYJKEMJIXYBNQJ-UHFFFAOYSA-N 415.518 0.629 30 20 HCED C=CC[C@@H](NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1)c1ccncc1 788070577 SVHZZIQPGFERGB-GOSISDBHSA-N 401.511 0.922 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 789409537 VSYOXWFHHBBILR-OAHLLOKOSA-N 423.429 0.223 30 20 HCED Cc1ccc(CN2CC[C@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 790333649 OBRWRAKFLZWDGN-RUNIHZNKSA-N 411.462 0.922 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCO[C@H](C#N)C3)ccc2F)CC1 801152413 SMQAITODRFWBIM-OAHLLOKOSA-N 424.454 0.043 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1)[C@H]1CCCO1 804119712 JPDBDWLPCIFVIC-UYAOXDASSA-N 412.490 0.268 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)NCC(=O)NCC#N)ccc1Br 804819856 NSUFTQHVZCDKAD-UHFFFAOYSA-N 403.258 0.069 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccncc2)cc1 805981496 RYZKYNZBXCHFMA-HNNXBMFYSA-N 415.471 0.897 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc3c2CNC3=O)C1 806970949 KBARRTGJWLHTMJ-ABAIWWIYSA-N 413.434 0.744 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1F 813695890 LRDOYLWGRUUTAC-UHFFFAOYSA-N 424.479 0.856 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 815860684 WPFBIPGUNSFOOY-UHFFFAOYSA-N 422.507 0.146 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 854480863 MEWZDGGJYAWCKQ-JTQLQIEISA-N 403.254 0.409 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 918124237 LWEZDMFTXNBORK-UHFFFAOYSA-N 412.471 0.591 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)NC2=O)c1 918617086 PTYBMJPZGVNFKI-SBGWBMIRSA-N 407.452 0.426 30 20 HCED C=C[C@](C)(O)CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1079142173 PRKHZSCJLAWXGD-VYUOOHEOSA-N 404.507 0.957 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N(CC)[C@H]1CCS(=O)(=O)C1 1116236433 WDXHJGGAQJNOKQ-ZDUSSCGKSA-N 416.525 0.151 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1319053586 MKMJFNTVOPKNPG-HNENSFHCSA-N 414.418 0.787 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1327709413 WEGYQGGZIVXEFW-ICFTUWFRSA-N 402.373 0.820 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1505140168 UELFFKHEELJSQD-VBQJREDUSA-N 412.491 0.648 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1510107936 OUKYQMXSLYKTIA-JXFKEZNVSA-N 419.505 0.811 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCN1CCCS1(=O)=O 1519165247 YSVWFAYWYNPPEO-UHFFFAOYSA-N 422.515 0.081 30 20 HCED CCCc1ccc(N2C[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2=O)cc1 1630030537 MDKSPORPGNQULM-HNNXBMFYSA-N 409.446 0.942 30 20 HCED Cc1nnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1635303256 MPOSGQVFYUZHLH-GFCCVEGCSA-N 420.520 0.734 30 20 HCED Cn1nccc1[C@@H]1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1635663581 WWJOSBYBJWLBSO-CJNGLKHVSA-N 417.491 0.885 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(CO)(CO)CC3)CC2)cc1 1651497011 LEENDPVYMOYBQL-UHFFFAOYSA-N 421.519 0.552 30 20 HCED 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COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1=O 1769900538 MLKVTVOXXKYCEG-UHFFFAOYSA-N 420.477 0.894 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1778967307 KHFRGSAUXZIVGE-VLIAUNLRSA-N 408.474 0.884 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779036477 BMDAQAJRAOGWFT-NRFANRHFSA-N 414.531 0.352 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1779062445 KCXHCXWENUTCBX-QFIPXVFZSA-N 412.490 0.548 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099089 PLGQIRCMFPZDDC-UCWLCXHCSA-N 411.499 0.752 30 20 HCED CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779398454 QEAIQCGTLJOHFE-WIYYLYMNSA-N 419.522 0.335 30 20 HCED C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(F)(F)F 1780331371 SFYVZAWRBYJKNW-HOTGVXAUSA-N 400.357 0.643 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1781264107 GEMWKQHMIATHQH-XLIONFOSSA-N 406.435 0.652 30 20 HCED 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CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835697866 YWFQJBCSHRSZSR-QGZVFWFLSA-N 409.556 0.388 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C=O)s3)CCO2)C1 1835942944 KDNVQHDNCGEQRG-YWZLYKJASA-N 420.487 0.669 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1837393593 WNRDECSXZBDGNB-JXFKEZNVSA-N 406.483 0.361 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837968593 CZHDPDBSQMTIOX-DYESRHJHSA-N 422.478 0.415 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccc1O 1838975379 JESKXXDRTKAGIY-DJJJIMSYSA-N 410.492 0.789 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839083432 UCFCAZMDFGHQKL-LZJOCLMNSA-N 418.494 0.148 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574574 RBPVJOGDPFDCTK-JOCHJYFZSA-N 411.458 0.665 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1839890423 AHJCOQOIXMLSJQ-MRXNPFEDSA-N 405.398 0.010 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840446168 IPHHLZRSLIFILQ-GOSISDBHSA-N 409.512 0.044 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1 1840713972 LNHYFBLZXCMAKW-MONBJTKQSA-N 424.501 0.912 30 20 HCED CNc1nsnc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841051684 QRTULCVAKUDDAI-VDLQQMNMSA-N 408.484 0.926 30 20 HCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847445914 DXHAGQROKMWJJZ-ILXRZTDVSA-N 409.483 0.196 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)N1CCc2ccccc2C1 5366718 UWOSIXFIKZSBHH-UHFFFAOYSA-N 413.455 0.965 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 17811595 MKTQIDLAMOLDSE-UHFFFAOYSA-N 406.508 0.187 30 20 HCED CCOc1cc(C#N)ccc1OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 53177495 FPLNINFVBABVIV-MRXNPFEDSA-N 407.492 0.667 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 64763722 VAILVLQPSMXSKV-UHFFFAOYSA-N 423.477 0.624 30 20 HCED CCN1CCN(Cc2ccccc2CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409571915 BURPXQSRNQIOFZ-IBGZPJMESA-N 407.540 0.383 30 20 HCED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 428413149 OFHMDFOMGXIECH-UHFFFAOYSA-N 414.431 0.688 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 435055466 IOJVEWWNNPCUGV-DOTOQJQBSA-N 417.535 0.590 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 435636344 KQPVVAAZZIPTTI-UHFFFAOYSA-N 401.442 0.793 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1C 442039402 BGDIBBAKGCOCBX-HNNXBMFYSA-N 421.417 0.062 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)[C@H](C)[C@H]2C)cc1 442294711 RETCRXUYVFFPHY-HUUCEWRRSA-N 408.524 0.983 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)cc1 461867520 YVWJDTFRWBXCAL-UHFFFAOYSA-N 400.416 0.434 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)Cn1c(-c2ccccc2)noc1=O 465473007 KBEYREHUBCFMQS-DOTOQJQBSA-N 421.461 0.737 30 20 HCED CCN(C)C(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 476477078 SIUOUXQTCTVZNJ-CQSZACIVSA-N 406.508 0.942 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OC 481591454 LDMJOEKLYBSDME-CQSZACIVSA-N 424.472 0.610 30 20 HCED COC(=O)c1cc(F)cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1F 483500031 ODQINAVXLMBNDU-UHFFFAOYSA-N 406.349 0.616 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2OC(F)(F)F)CC1 491152723 AMTOOUHEYZMKHW-UHFFFAOYSA-N 414.384 0.970 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)c(F)c1 496626461 BOOMTTDBMKSACY-OAHLLOKOSA-N 424.498 0.905 30 20 HCED COC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 499111216 MVTGJLIKIMGJAN-QGZVFWFLSA-N 420.535 0.750 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC1 504523985 MNHMCDUAMJEWQW-UHFFFAOYSA-N 416.445 0.880 30 20 HCED COCCn1cc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cn1 506857782 VSPOLVJWFOJQIT-UHFFFAOYSA-N 411.397 0.981 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(C)C2=O)cc1 507409494 VRCXHHCOZXEGHF-OAHLLOKOSA-N 408.480 0.121 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 509404304 PXXKFHBUZRCWIA-AWEZNQCLSA-N 416.525 0.480 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCCC1 511030105 LXFZRUJDTWQISY-UHFFFAOYSA-N 414.509 0.088 30 20 HCED CC[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 511713114 CYIBRNJKJMNVEE-GOSISDBHSA-N 406.464 0.790 30 20 HCED Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c(C)c1 511919278 LDSMKXCMDKMHEH-INIZCTEOSA-N 401.467 0.564 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 514127970 BCJYRCXGJOAXMG-UHFFFAOYSA-N 419.445 0.770 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)C1=O 517801886 WICHXVRECYEHTM-UHFFFAOYSA-N 418.425 0.455 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)c1 518076430 LLFAFWHBIFAQLE-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCN(CCNC(=O)c2ccccc2F)CC1)C1CC1 523442948 YPMHHQJFYKPWFF-NRFANRHFSA-N 401.486 0.982 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N=c3cc[nH]cc3)c2)C1=O 524228341 LHAOQYCUZFQQRI-UHFFFAOYSA-N 407.386 0.671 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)c1 540905613 BMLGAQIODKCORN-UHFFFAOYSA-N 408.461 0.881 30 20 HCED N#Cc1cc(NC(=O)C(=O)Nc2cnn(C[C@H](O)CN3CCCC3)c2)ccc1F 542937001 YTSZTGDBVOFWNK-MRXNPFEDSA-N 400.414 0.928 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 543749169 ZOONTILTPVKAKT-IAGOWNOFSA-N 419.507 0.777 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 551230380 YQZDAMBRYNRFRD-GFCCVEGCSA-N 419.438 0.715 30 20 HCED COCCN(C)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 552622924 SCHPQROIEHDOLE-INIZCTEOSA-N 405.474 0.477 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 554715364 PELVIUDLEJJWAH-UHFFFAOYSA-N 408.543 0.534 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 555972301 XMJHWAIIQZPSHQ-UHFFFAOYSA-N 419.485 0.878 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 556388300 NTYJAFKALOLAPB-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 564494778 FOCZEABXKXEZHY-INIZCTEOSA-N 421.519 0.804 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 568306265 WYDQDRKBXAUPMV-IBGZPJMESA-N 423.521 0.962 30 20 HCED COC(=O)C1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 572864659 YQBCYOMGLUMECD-UHFFFAOYSA-N 422.507 0.228 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 575909895 ATGPTVWEIGVSFF-INIZCTEOSA-N 415.475 0.668 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3ccccc3n2C2CC2)CC1 577096975 FZBBIIFFALDNKV-UHFFFAOYSA-N 424.505 0.434 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)nc1 586824185 HPVULZGDJHRAGX-OAHLLOKOSA-N 424.427 0.791 30 20 HCED CCN(CC)C(=O)CCC1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124776 KBIFBZYWLOBDHM-UHFFFAOYSA-N 405.543 0.978 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 589138725 GKQHDWYMOFTIRW-YLJYHZDGSA-N 413.522 0.428 30 20 HCED N#CCN1CCC(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 590064726 LJPJSBOYPYJIIN-UHFFFAOYSA-N 404.492 0.970 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(OC)nc1 608883779 GHEPLVWQTTZTEJ-UHFFFAOYSA-N 410.430 0.691 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 609089543 YRIUBUJCFBUKOH-UHFFFAOYSA-N 404.395 0.542 30 20 HCED COCCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 610912697 TUIRLFWZADVBBZ-KRWDZBQOSA-N 412.487 0.490 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)nn1 612806720 PGIBFHFUGLYWOH-INIZCTEOSA-N 424.465 0.957 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 613563016 IWSJEPVNFOARFN-MRXNPFEDSA-N 415.479 0.178 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(N)=O)cc1 726576087 WHBCBJJMXPAIAR-UHFFFAOYSA-N 417.406 0.933 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(CC)c2)c1=O 732562600 GGWWDLCNJOEXMB-UHFFFAOYSA-N 403.508 0.192 30 20 HCED CNS(=O)(=O)c1ccc(C)c(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 736988357 GJLTZOIRFIILCO-NXVVXOECSA-N 407.452 0.551 30 20 HCED C[C@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743992157 FEELOSFPWSDKIC-QIAIEURZSA-N 410.496 0.573 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1C 745443400 DSSYYPAZCRWJHS-YUHPLZMDSA-N 415.402 0.801 30 20 HCED CC(=O)N1CC[C@](C)(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 747082592 BUFMXJXVSSNHLJ-IBGZPJMESA-N 403.439 0.305 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 747819978 FRAIRSUSFFAHOI-LJQANCHMSA-N 423.579 0.796 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 751676960 YRJCGHBGPKDCCP-ZDUSSCGKSA-N 415.493 0.613 30 20 HCED Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 753406523 REUPUORBMILFCV-UHFFFAOYSA-N 411.461 0.970 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccccn2)c1=O 758039348 CDKYOVVVXFVUJB-UHFFFAOYSA-N 402.483 0.807 30 20 HCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N=C2C[C@H](C)ON2)c1OC 765385827 XCJLUMMIDKCMGK-NSHDSACASA-N 413.452 0.577 30 20 HCED CCOC(=O)N1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 771577384 YQKWERQWFUUGAU-ZDUSSCGKSA-N 408.480 0.852 30 20 HCED CSc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 771896647 FLUHFULAMKLTAL-UHFFFAOYSA-N 400.457 0.648 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(C[C@H]3CCOC3)c2=O)cn1 772311051 JQAGFURJSZPCJQ-CQSZACIVSA-N 413.503 0.273 30 20 HCED CCOCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 772351565 MRUQYMOGLUIHNJ-SILNSSARSA-N 410.496 0.933 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)O)=NO3)c1 776717168 TXYYZVCPLSMTLI-UHFFFAOYSA-N 407.448 0.987 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCc2nnc(S)n2CC)cc1 784587441 VUOWFNJKWYOSDL-UHFFFAOYSA-N 402.480 0.800 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 784616595 DYLXXVZBIBRCPH-UHFFFAOYSA-N 407.386 0.221 30 20 HCED N#C[C@@H](C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787058592 GPFNKTTXESRBAW-YARXLOAZSA-N 422.397 0.727 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NC1(C#N)CCC1 787580231 SYJPTZOJWSIWAU-AWEZNQCLSA-N 421.475 0.815 30 20 HCED COC(=O)CCc1nc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 795327153 KNEZTWWQWDPQAX-UHFFFAOYSA-N 408.392 0.069 30 20 HCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccnc(C#N)c2)C1=O 795967438 XMDOPYTYZFMQTI-FQEVSTJZSA-N 407.386 0.999 30 20 HCED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 799066407 ZXPATJZYWJVAGY-IBGZPJMESA-N 423.491 0.543 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)C1=O 799268115 GXNYYGJYPAYOFI-CQSZACIVSA-N 416.434 0.836 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 799286302 GRXAJEBRCPYXAK-OAHLLOKOSA-N 407.492 0.690 30 20 HCED C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCF 800598725 VUPOPYXCKJXQFF-CYBMUJFWSA-N 412.487 0.876 30 20 HCED C[C@H](C#N)OCCOC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 801806320 FHRNXKPGLPOSID-ZLDLUXBVSA-N 402.856 0.936 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCc1ccccn1 805963061 ZHNJBBGVKZSUFR-UONOGXRCSA-N 416.459 0.868 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)c1 810393072 LDCKPQKAEFPYKQ-MRXNPFEDSA-N 404.492 0.840 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ncn(C(C)(C)C)n3)CC2)o1 812697765 YFZPKSZHEZILNN-UHFFFAOYSA-N 401.427 0.707 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 917203967 SSKVUAGWLQXIPB-BFUOFWGJSA-N 410.438 0.437 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)nc1 918390267 CQEXEKNPLLLXPL-GOSISDBHSA-N 403.446 0.722 30 20 HCED C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCN(CC(=O)NCC#N)CC2)O1 1111545891 RWVGKJLHFPEMEE-PITCONLNSA-N 402.495 0.131 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](NC2CCOCC2)C1 1176467280 OREYKTLNCXNRGV-MRXNPFEDSA-N 420.535 0.875 30 20 HCED CN1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1298879674 OZOSQWJAHJALQY-RBUKOAKNSA-N 414.445 0.434 30 20 HCED 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CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)COC1 1830026505 WRMPURJWTXBDKP-JOCHJYFZSA-N 413.474 0.594 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1831419746 PWEHEZBXSUQWEV-UTKZUKDTSA-N 409.527 0.376 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1831421262 GVUUOIZKDRHFKY-MGPUTAFESA-N 404.467 0.446 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1831449651 OFTAJJQICSMOOE-KXBFYZLASA-N 414.524 0.561 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2csnn2)CCO3)c1 1831751087 UZNJFPBAIMQKNI-LJQANCHMSA-N 413.459 0.794 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)OC)CC2)CC1 1833076599 AKPFFYCSRMXMEV-OGZRUICASA-N 406.527 0.451 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834006784 VDOPVAVFYAPYSX-VSIOZEBNSA-N 415.494 0.623 30 20 HCED CCc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834521118 YVTFJWHJTAGLPE-FQEVSTJZSA-N 413.434 0.821 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834765413 ODORAHRXLKLJAL-HXUWFJFHSA-N 408.418 0.418 30 20 HCED C=C(C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1)C(F)(F)F 1834875756 CZEBQVSWMARWQH-UHFFFAOYSA-N 415.420 0.363 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835421319 KTHCSHOEKCJUQO-XMSQKQJNSA-N 424.538 0.833 30 20 HCED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835665914 POQCLFRPCHCTPL-NRFANRHFSA-N 418.469 0.767 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCC3)C2)C1 1835680164 DTKGAPKWZXWMHH-NRFANRHFSA-N 406.527 0.915 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837397213 SRFGYKJAVVLMIH-DEYYWGMASA-N 402.438 0.671 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(C)=O)C2)C1 1837402970 MOVMCTGXTFAPBM-HZUJVAHNSA-N 410.511 0.631 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648787 UTFNYTLXGADEMH-FXAWDEMLSA-N 403.483 0.174 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1ccccc1=O 1837680408 JTESTRGJEIDNES-HRAATJIYSA-N 416.478 0.415 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838680958 QVLPDRGFHCNTRO-UZLBHIALSA-N 406.483 0.361 30 20 HCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838737302 NSKJNPQQJLNHSG-SONOPUAISA-N 422.507 0.115 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839224844 ZRAVAGJDDKRNDH-KUHUBIRLSA-N 421.454 0.053 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1)C(F)(F)F 1839892461 ONFNSDYIGSCJFR-QGZVFWFLSA-N 419.400 0.184 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)CCO2 1840438280 XKMKCVLRNMSQNM-OAQYLSRUSA-N 402.495 0.449 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840716961 YYNFOWQIBCAYSW-CKJXQJPGSA-N 401.463 0.764 30 20 HCED COCc1oncc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813627 KQPPAMMGBJHSTL-FQEVSTJZSA-N 418.450 0.585 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnn(-c3cccnc3)c1)C2 1841054214 ZTZYQPLMAMCIHT-SREVYHEPSA-N 420.473 0.943 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1841746522 ONTQDFBDDAAJSK-CQSZACIVSA-N 408.499 0.747 30 20 HCED C[C@](O)(C(=O)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C(F)(F)F 1841800614 VXIUYIZZFPOMRE-JTQLQIEISA-N 424.269 0.858 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841970253 HYMBOOQGZJJAGD-OAHLLOKOSA-N 401.467 0.816 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)c1 1842058541 QQIIDQGSPZPUGD-CYBMUJFWSA-N 422.445 0.710 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1845187632 AAPLMLJZSXTXEE-UHFFFAOYSA-N 400.435 0.507 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1845254668 DXZKBOZEDFVRDH-KRWDZBQOSA-N 405.543 0.771 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(C)=O)C2 1847071131 PFQMUIDDTPODMJ-GDBMZVCRSA-N 420.510 0.631 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(NC(C)=O)c1 1847261906 MDIMVNJBXUQZMA-FEFZKZJHSA-N 411.462 0.714 30 20 HCED O=C1NC(=O)[C@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/C(=O)c2cccs2)N1 1848130880 ZSCZLHVWHIWKSS-KTVCLWMCSA-N 416.459 0.287 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 111066140 HIBJLVFTEVCXMU-CQSZACIVSA-N 423.491 0.488 30 20 HCED N#Cc1cn(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O 432540143 ZCRUVOBHGKOYNI-UHFFFAOYSA-N 410.455 0.879 30 20 HCED CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@H](C)C1 441035927 WDYNUTMUSQLSPV-RHSMWYFYSA-N 409.494 1.575 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)nn1CCC#N 441661477 JITIGMBMDDPBAN-MRXNPFEDSA-N 414.853 1.397 30 20 HCED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 442024591 DXVCVLDSGQEPJM-LLVKDONJSA-N 402.842 1.176 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)c1 443532388 NPDLQMZYRTYDJJ-UHFFFAOYSA-N 408.299 0.681 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCCCN2CCN(c3ccccc3)CC2)n1 444507211 QMTPSMVHFUPVAF-UHFFFAOYSA-N 423.521 1.454 30 20 HCED COC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446528793 XOJKRURUSVTGOC-UHFFFAOYSA-N 402.451 0.795 30 20 HCED CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 448318156 MLFCPNXWYDDUET-KRWDZBQOSA-N 409.494 1.373 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 465201462 WUUIRXBUJAAQDH-AYMSOESYSA-N 406.446 0.192 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 473573937 YMEGKFUSCIHDJU-QGZVFWFLSA-N 411.853 0.953 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 489021740 ZBOFQDPQYYAWGO-ZFWWWQNUSA-N 400.456 0.790 30 20 HCED C[C@@H](Cc1ncc[nH]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 495279329 DXZXZIUHXFIOBL-HNNXBMFYSA-N 417.491 0.762 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 504203597 SPRFDFBSFXHIGZ-KRWDZBQOSA-N 422.507 0.514 30 20 HCED C=CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508815809 DGMMKWCBYJWECG-UHFFFAOYSA-N 409.454 0.475 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(F)(F)F 524288838 UCTLMXLSHAKPDV-UHFFFAOYSA-N 404.414 0.885 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 532487350 JXVOKGDOMQAZKZ-UHFFFAOYSA-N 420.495 0.337 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n(CCC#N)n1 532606690 IPKNKXSQVIBHSH-AWEZNQCLSA-N 400.414 0.643 30 20 HCED C=CCNC(=O)CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 538602049 XVVWESGXFHSWDG-UHFFFAOYSA-N 404.286 0.536 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCCC#N)cc2)C[C@@H](C)O1 541385232 AFDZFVYVMKIMCK-OKILXGFUSA-N 408.480 0.843 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCN1CCc2sccc2C1 551876760 HOBFZYPDIKOIGQ-UHFFFAOYSA-N 415.523 0.491 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 554297849 VWVFSJKCCVQTQK-MRXNPFEDSA-N 409.508 0.796 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2C(F)(F)F)CC1 555890179 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30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 579275600 GFHUJOUGTKOKHE-JCGIZDLHSA-N 414.462 0.432 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 608229374 FMTIBDVQZONSOK-SUMWQHHRSA-N 417.491 0.808 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)cc2)c1N 609202750 YRHVHWIIDICENH-SFHVURJKSA-N 407.478 0.880 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)cn2)CC1 615478491 UTJMSWUVZANMNP-UHFFFAOYSA-N 401.448 0.993 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)C1=O 623180354 YQGNDMXPHKAZTG-UHFFFAOYSA-N 422.444 0.615 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 641982641 STMQQXQCBWPDDS-UHFFFAOYSA-N 415.518 0.790 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1 729257975 YMBZFUUGWSILRO-UHFFFAOYSA-N 420.535 0.271 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 731352592 AMZNFEVXWNJSHM-UHFFFAOYSA-N 417.491 0.379 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 732418339 NQLSICBFAVHTKR-HNENSFHCSA-N 411.418 0.984 30 20 HCED N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732908225 ICFTYZCYWSMEHY-AWEZNQCLSA-N 420.443 0.387 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCN(CC(F)(F)F)C2=O)c1 735710358 JJWHZGXGIUVPGX-CYBMUJFWSA-N 404.366 0.918 30 20 HCED C#CCCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 740748326 DDVKRPQZPZBZFO-UHFFFAOYSA-N 420.535 0.869 30 20 HCED COc1cc(C=Nn2c(S)nnc2S)ccc1OCC(=O)N1CCOCC1 744762282 QIKDYSONFURZDA-UHFFFAOYSA-N 409.493 0.984 30 20 HCED C#CCNC(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 746742456 IGYBNHTZGNHEEF-OAQYLSRUSA-N 419.437 0.793 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 747741354 FKEHGCJMDZIWAD-UHFFFAOYSA-N 405.520 0.960 30 20 HCED N#Cc1ccc(NCCNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 749567113 YSNXQSSAVGZPSP-UHFFFAOYSA-N 418.435 0.758 30 20 HCED Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 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0.810 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)o1 804955273 WNIITBGXWDSOBN-UHFFFAOYSA-N 406.445 0.607 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 807336395 GPMTWXFVLXAQPJ-GOSISDBHSA-N 420.469 0.852 30 20 HCED C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 812180599 YLLRXRWBZMGSLI-KBPBESRZSA-N 415.541 0.091 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCc3c(C(=O)OC)cccc32)c1=O 917472435 RZMCYPNNSYQYRB-UHFFFAOYSA-N 412.446 0.741 30 20 HCED COc1ccccc1CN(CCO)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920456321 JDOTZXIXUVFQMI-UHFFFAOYSA-N 403.460 0.755 30 20 HCED Cn1cc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cn1 982306882 SQPZICALBXBGSI-PHUPPTAPSA-N 420.473 0.768 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1254963662 UNUNSHNMDNKMNG-BBRMVZONSA-N 400.478 0.581 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1327709411 WEGYQGGZIVXEFW-AKCBPTIMSA-N 402.373 0.820 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@H](c2ccnn2C)C1 1449710516 XVCBSXDPBKLELP-JOQOYGCGSA-N 417.491 0.995 30 20 HCED CS(=O)(=O)C1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCCCC1 1472601703 UBSFWCRCLXNLFR-UHFFFAOYSA-N 413.521 0.700 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1503270153 OPSGUALRZHSNAT-OAHLLOKOSA-N 422.515 0.079 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cc[nH]n2)CCO1 1505326228 WQQJKJQDXSKTAV-HNNXBMFYSA-N 407.438 0.146 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1539775689 OFPNHPJAEQAJMC-GFCCVEGCSA-N 404.924 0.699 30 20 HCED CC(C)(C)OC(=O)N1CC2(CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C1 1561702922 JNYFSRFTECYLEN-AWEZNQCLSA-N 400.501 0.788 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1618127502 VWTVPZRYLCBEGK-GDBMZVCRSA-N 404.854 0.928 30 20 HCED COCCN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1=O 1621938434 RJRFBPMGXGKFMI-UHFFFAOYSA-N 402.270 0.800 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)CC1 1640589471 ZLFINRYPCCCXJL-CYBMUJFWSA-N 409.464 0.265 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C[C@H](C)O1 1660664706 XRMGXHUBWKMGLL-GJZGRUSLSA-N 422.573 0.228 30 20 HCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1698299043 YINGAWJFRSPTGA-SJORKVTESA-N 417.491 0.855 30 20 HCED C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccccc1 1705743177 PYKPMOJBKQYKMS-INIZCTEOSA-N 401.492 0.830 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1749269411 RVFGJGWGTAJQDO-KGLIPLIRSA-N 419.935 0.836 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1778969397 KAPNGSGUCTXKOT-IERDGZPVSA-N 403.479 0.251 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1778972856 CMZLGDOJPFRIDK-VGOFRKELSA-N 415.490 0.802 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098253 DVIHTYSGVGMSJH-OLPVWXKPSA-N 424.498 0.260 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779314706 DGJLGFYTHZLUDU-BZLDKRAPSA-N 422.526 0.246 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335110 OFNZTLDAVWTAQC-VLIAUNLRSA-N 409.450 0.620 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1780697472 GXNSNZCBVKQHBK-NRFANRHFSA-N 420.429 0.204 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CNC(C)=O)CCO3)C2)c(C#N)c1 1781177184 SPLBPKAWAQSTNI-OAQYLSRUSA-N 414.462 0.075 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H]1NC(=O)NC1=O)C2 1781736928 SZHKAVGQRBIYRY-LYKCQVCGSA-N 406.483 0.311 30 20 HCED CC[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)N(CC)CC 1782011221 PZMGCSZHZJCAGK-CSODHUTKSA-N 407.511 0.709 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCCn1cccc1)C2 1782017855 OOVCORTXOVJBAU-DYESRHJHSA-N 401.463 0.870 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC2(O)CCC2)C1 1782778511 BNTUKVVKGQAJTP-LRJKKDHCSA-N 419.522 0.664 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccns3)C[C@@H]21 1783530264 NSGGCBBOVSQVOS-LSFZBXBFSA-N 404.492 0.595 30 20 HCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1784196305 QTHRKQATYPAEJG-LJQANCHMSA-N 403.439 0.815 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)n1cccn1 1784520759 VXYITBODRAOBKU-OXQOHEQNSA-N 402.499 0.556 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nnc(C)s3)[C@H]2C1 1785322204 QFZUDQQFMNIRGZ-IWCQGFGOSA-N 420.535 0.797 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cc4ccc5ncnn5c4)C[C@@H]32)CC1 1786696537 BPELZGKKCQTVCU-ULQDDVLXSA-N 408.462 0.555 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3O)[C@H]2C1 1788827427 ZKZLZGABJFKZKA-QXRTWZOPSA-N 403.479 0.954 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791687032 KOJMEGRYAAGEBH-WKULXVSPSA-N 402.499 0.982 30 20 HCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 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C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833977076 FTIRYPCGFHNIFT-OXQOHEQNSA-N 404.467 0.120 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)c4cccnc4C(N)=O)CC3)CC2)CC1 1834600052 ODEBMLUDIHAYLO-UHFFFAOYSA-N 424.505 0.669 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834760057 FDIYZLYHTVCYQU-GNAXCBTBSA-N 403.460 0.857 30 20 HCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834870524 NTLBEICUOTWRFT-UHFFFAOYSA-N 406.556 0.769 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834893787 UWOCXEYMWPOGLR-GOSISDBHSA-N 408.572 0.804 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)OCO5)C3)C2)CC1 1835342068 PCGRXCMFEDEDMJ-OAQYLSRUSA-N 413.430 0.789 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835644094 SQNQCDYIASFNOD-KDOFPFPSSA-N 414.528 0.051 30 20 HCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836061610 JBFUAIHNAGYGTM-UHFFFAOYSA-N 400.483 0.917 30 20 HCED CC(=O)NCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1836530215 DBIKQDCNCSEIEW-HNNXBMFYSA-N 409.531 0.495 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977022 KFWDRIKSPYFLPQ-FQEVSTJZSA-N 401.467 0.593 30 20 HCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837476641 ZHPDORKYLBJDCO-MGPUTAFESA-N 416.482 0.283 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(CC)n3)CCO2)C1 1838131247 BDDIVJCIBXBZEQ-MGPUTAFESA-N 407.467 0.898 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824956 CGMQPQQPEUAGOQ-KUHUBIRLSA-N 422.438 0.584 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1839809819 NDUYFBKGYBYNIM-CTNGQTDRSA-N 417.437 0.093 30 20 HCED Cc1scc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1C 1840041653 ZQFSTTTVWXQCCA-IBGZPJMESA-N 406.460 0.523 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1840156865 WVORQBCDQAZIRG-TWOQFEAHSA-N 422.551 0.766 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840159853 PIQRFUAPOVXSIS-XIKOKIGWSA-N 405.480 0.346 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840293330 UFSFTRKHNDOQRU-NRFANRHFSA-N 407.511 0.409 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3cnnn3)CCO2)C1 1840472682 AKPGGFWSAOYYBV-OXQOHEQNSA-N 420.514 0.683 30 20 HCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n[nH]1 1840813103 DQMOLWMFWHDALA-FQEVSTJZSA-N 415.450 0.376 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(C)c3)C2)C1 1840841310 PBYMQVISJSKVFB-OAQYLSRUSA-N 401.463 0.882 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841847862 QUVOHVPTVYEABR-UHFFFAOYSA-N 418.570 0.793 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nccn1 1847940761 HZLBQUCYMQTYFB-PMPSAXMXSA-N 418.498 0.949 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)c(OC)c1 48008470 MJAZSCGSSKYIPK-SFHVURJKSA-N 417.506 0.586 30 20 HCED 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N#CC1CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 490412305 FFHGDJGQTSWCEF-GOSISDBHSA-N 412.446 0.402 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H](CO)SC)cc1 493529267 QJSICQOHAYRHCV-DOMZBBRYSA-N 415.537 0.660 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 502536833 BUZDSZRIUCNNLC-UHFFFAOYSA-N 411.462 0.332 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)n1 508322673 RQIXCAXYSJCKIR-UHFFFAOYSA-N 421.345 0.836 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C(=O)NC)CC1 508473062 MPZQHEGJARUNMU-UHFFFAOYSA-N 404.496 0.996 30 20 HCED C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508793074 HGGIQDLGZYNQQA-IYBDPMFKSA-N 424.571 0.893 30 20 HCED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 521113692 SXIAWTNVQFEQID-QGZVFWFLSA-N 406.508 0.837 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 521902311 UZQYKJWQNRIELR-UHFFFAOYSA-N 412.538 0.938 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C1=O 527015281 NEBWSQJNBSOENC-CHWSQXEVSA-N 401.423 0.611 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 532899795 OCZFMARXPWSKSU-INIZCTEOSA-N 403.464 0.696 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 533045351 IDCNVONBBGKMOP-ZFWWWQNUSA-N 412.487 0.969 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)CN(CCC#N)CCN2CCOCC2)ccc1C 533446847 MVFACGJKMFQLDV-UHFFFAOYSA-N 423.539 0.390 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(OCCO)c(OC)c2)C1=O 534711907 SOYHXDZAISOFLC-LBPRGKRZSA-N 405.407 0.220 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCC#Cc3ccccc3)ccn2)CC1 537276070 NSOMRBMYMQLJSD-UHFFFAOYSA-N 405.458 0.576 30 20 HCED CN(CCN1CCOCC1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539450578 PRBAPATURMVIAY-HXUWFJFHSA-N 403.502 0.799 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)CCO4)CC2)c1C#N 550835869 OUJQNFSGSGSEIB-UHFFFAOYSA-N 408.462 0.500 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)C1=O 552661118 MGUQHQURHHOPSM-YJBOKZPZSA-N 400.479 0.635 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 552673233 YTNHIRGKVZRPIG-MRXNPFEDSA-N 402.480 0.508 30 20 HCED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 554694023 AYELIMSEXLITKO-NIKGAXFTSA-N 409.490 0.374 30 20 HCED C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 555252340 KBXJJRJORIDQDB-UHFFFAOYSA-N 408.484 0.619 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc21 556326920 FVMAYULVQDXVGX-HNNXBMFYSA-N 421.413 0.927 30 20 HCED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 561593906 QHDTZZQEAJHFER-AWEZNQCLSA-N 409.494 0.700 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 566636564 QFPSKWFNQLBSNU-LJQANCHMSA-N 413.522 0.999 30 20 HCED CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 567764740 SBBVNQOBCQLJPM-CYBMUJFWSA-N 414.441 1.490 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)C2=O)cc1 571309665 LVLDOPDXECWKFU-HCXYKTFWSA-N 422.485 0.849 30 20 HCED CCc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1S(=O)(=O)N1CCOCC1 573657932 KRWMBTXUDAZASV-IBGZPJMESA-N 408.524 0.844 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 603483877 AZDZKJOCZFWZEB-UHFFFAOYSA-N 400.460 0.891 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1OC 604196584 UDPKKFZJEGJBFV-UHFFFAOYSA-N 415.475 0.832 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(N(C)CCCc3[nH]nc(N)c3C#N)nc2)CC1 604506252 ZLSZPKGNSLCGBD-UHFFFAOYSA-N 418.527 0.264 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610804993 LVHBUNMDGVIOLA-QAPCUYQASA-N 403.508 0.917 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 615255198 CQHXMWNCMAPXCV-UHFFFAOYSA-N 401.467 0.715 30 20 HCED CC(C)(C)n1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 726576788 BFFSZGPFSWOEMC-UHFFFAOYSA-N 418.482 0.976 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 729257245 YAWBUMHCLLANIW-UHFFFAOYSA-N 421.501 0.956 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 731862681 JVCUMNHHOLMTJC-VLGSPTGOSA-N 404.448 0.384 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCOC 743728883 QVFIHFYJISBHOW-UHFFFAOYSA-N 415.515 0.732 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 746264277 ARXHLLMBFRUYNK-CYBMUJFWSA-N 420.447 0.654 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1=O 746432423 MULFXVCZXWLDTB-GFCCVEGCSA-N 416.419 0.115 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)s1 750221318 YQGSYVWRWBIHKJ-UHFFFAOYSA-N 418.884 0.879 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)cc2)c1=O 758055691 RHACXRYWWRDMMV-UHFFFAOYSA-N 409.536 0.930 30 20 HCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc4c(cc3OC)OCO4)c2=O)cn1 758951667 OPQFCNFZJJKOBS-UHFFFAOYSA-N 421.438 0.879 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 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0.018 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 805059809 GEKYOOCKHIKNNS-UHFFFAOYSA-N 410.539 0.254 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)n1 807367240 ODDFMLAEMRXMHE-UHFFFAOYSA-N 401.390 0.639 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 808329960 GYPLUSQLDHLKPM-YVEFUNNKSA-N 409.468 0.693 30 20 HCED N#C[C@H]1COCCN1S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 809394376 IPPSIZCPUVEKOM-DLBZAZTESA-N 409.464 0.578 30 20 HCED CC(C)n1c(S)nnc1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810353798 CQPDTPXSAHMBDI-UHFFFAOYSA-N 408.509 0.657 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC[C@@H]21 813750103 OZGKKOKHJXWTCK-ILXRZTDVSA-N 400.501 0.787 30 20 HCED CC(=O)N1CCN(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 813949856 ZFBOARVOKBEPBX-QGZVFWFLSA-N 408.480 0.487 30 20 HCED C=CCOc1ccccc1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 913366481 LOJWIFIFNIWJTD-INIZCTEOSA-N 422.503 0.740 30 20 HCED COC[C@@H](C)NC(=S)NN=C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 914559316 IVUYZGUFOPFVHG-SNVBAGLBSA-N 402.546 0.666 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccccc3SCC#N)CC2)CC1 915268922 DXPRRCSSMTVNOQ-UHFFFAOYSA-N 423.564 0.552 30 20 HCED N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 916965568 HZOCFFXIKGQUAY-NPJBIHMISA-N 421.409 0.912 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(N)=O)c2)cc1 918541797 LVRMETAEBGPTEK-JWGURIENSA-N 419.467 0.825 30 20 HCED CC(=O)NCCN(Cc1ccsc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1321262825 LNBLFQVOKLWZOU-MSUUIHNZSA-N 405.480 0.922 30 20 HCED C=CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 1325377041 UZLKQCWKQSAHLX-CQSZACIVSA-N 412.464 0.750 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1cccc(Br)c1C#N 1461480098 UYWOUSRAIKUZAV-AAEUAGOBSA-N 403.254 0.628 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CCO1 1503772056 KVXFPSSQGKTTAG-SFHVURJKSA-N 420.477 0.858 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2COCCO2)cc1 1505319877 NWFWKJPRYZENIB-QGZVFWFLSA-N 412.450 0.470 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O 1507781931 NKKUQSRINDIMDW-JTQLQIEISA-N 421.321 0.123 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)C1 1541989304 JRAMYQFAQFBVBE-IFXJQAMLSA-N 401.471 0.218 30 20 HCED N#CC1(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 1648678664 JQASKSNDTSCELN-AWEZNQCLSA-N 401.872 0.416 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1696092606 OTFAAPIBJJUUTA-PBHICJAKSA-N 413.500 0.094 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696478933 XQNPHJIKLQMTEX-INIZCTEOSA-N 417.539 0.895 30 20 HCED C[C@H](CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1723871287 OYXODSJAXDNFSE-SJORKVTESA-N 401.515 0.861 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CC1 1762303208 UDJGJEXZBIQABL-SUMNFNSASA-N 408.528 0.836 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1778974409 QBALKEZXYMLXOJ-YDHSSHFGSA-N 416.518 0.993 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1779066219 LARFXMFFLWBJAZ-NRFANRHFSA-N 400.479 0.860 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099944 QKDBSWLSPFMZGW-LFQSBUTJSA-N 424.498 0.214 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)c5cnc(O)[nH]5)C4)C3)c2c1 1779646068 VVPGVALWLYWQET-HXUWFJFHSA-N 421.417 0.621 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062851 VHNDWULPWLJBQJ-QVKFZJNVSA-N 411.462 0.745 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c1 1780597873 WNKXRVDMFONLDY-OAQYLSRUSA-N 412.446 0.844 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1782056263 STEJMGKGKXRDSB-OAQYLSRUSA-N 407.430 0.707 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccco3)[C@H]2C1 1783556644 GEKKIXWZQHAGKK-ZFLKIWSKSA-N 417.462 0.151 30 20 HCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1784035819 XOKCCFYTNMTVQM-ACRUOGEOSA-N 418.582 0.982 30 20 HCED COC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1784254568 KOEDCWBAQIVAPL-FQEVSTJZSA-N 419.865 0.877 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1784482251 ILDFOHRGROKGLF-YEWFCNIMSA-N 411.462 0.361 30 20 HCED Cc1ccc(C(=O)NCC(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cc1 1785561494 UGBIZHNWVFMKPN-QHCPKHFHSA-N 409.486 0.968 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1785594492 SAPCMJIGYUGDTQ-IPHXSNPTSA-N 421.494 0.875 30 20 HCED CC[C@@H](C)[C@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858136 LNMCVLNFMZSQIT-FPSMNIFISA-N 407.559 0.621 30 20 HCED C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)CCCN1 1788679872 YGUFXBWLLLZNGB-YVVSHCFASA-N 402.495 0.820 30 20 HCED 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C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)N1C[C@H]2C[C@H]2C1 1830058383 XUAGYYYDFCGEOK-PZTGFMGMSA-N 404.511 0.333 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1831387573 QTKCVHPHIYEFKT-DYESRHJHSA-N 419.478 0.329 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1831426778 OSZSQAYGLXRFBG-XTCYKFNRSA-N 421.538 0.374 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832183692 VFDGUTFHISCUAX-WBMJQRKESA-N 412.380 0.934 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1832457578 WPMVMLFIBVTKGF-LJQANCHMSA-N 407.492 0.776 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832940254 BYDXLXDZPRZMAK-UTKZUKDTSA-N 420.510 0.372 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnsn3)CC2)CC1 1833976910 VTUUBEKTOZGJIZ-CQSZACIVSA-N 405.524 0.762 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccno3)CCO2)C1 1834149483 QMJMNNTXBABPNF-IBGZPJMESA-N 405.455 0.026 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834157706 FPAHPJXUYMUPFH-UZLBHIALSA-N 406.483 0.390 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n(C)n1 1834158908 ZEPUMDONZYPFCU-QHCPKHFHSA-N 422.485 0.850 30 20 HCED Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834335192 SQYKPLMFEHTYIR-HXUWFJFHSA-N 419.482 0.335 30 20 HCED C=CCC(CC=C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834675738 UJYHRQIZMINBNS-UHFFFAOYSA-N 404.559 0.809 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1834758186 HTUHCPMFMRYOFV-IBGZPJMESA-N 415.475 0.862 30 20 HCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)F)CCO3)c(C#N)c1 1834918222 XVOUPARDRNACTK-FQEVSTJZSA-N 423.416 0.831 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1835096550 COZSIQOMRSUSNM-HSZRJFAPSA-N 421.453 0.442 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397058 YALFTTSYRLTFMQ-DENIHFKCSA-N 421.538 0.543 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nccc(OC)c3OC)CC2)CC1 1836209480 BOHKZRZSZVCXRS-UHFFFAOYSA-N 400.479 0.917 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837395376 YNZMEKWOGSSKPH-FOIQADDNSA-N 404.467 0.120 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)c3ccccc3)CC2)CC1 1837779745 KWJOAASFCOKNMI-OAQYLSRUSA-N 414.458 0.807 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3C)CCO2)C1 1838355022 BYJOYRPOIUDELG-GCJKJVERSA-N 415.490 0.807 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)c4ccco4)C3)C2)c1 1838732625 WWOGUMQHGSXLHW-HXUWFJFHSA-N 412.402 0.432 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)c4ccco4)C3)C2)c1 1838732878 DTTIZDFMOKKTDP-FXAWDEMLSA-N 414.418 0.283 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838825443 VXMADKVIWWFBAV-KUHUBIRLSA-N 420.422 0.031 30 20 HCED CC(C)(O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838906212 YVXOBXVYKRRDKH-NRFANRHFSA-N 401.463 0.789 30 20 HCED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2)C(=O)O 1838909043 HOKZZRCOAMVYIO-WHIQYKQFSA-N 413.430 0.659 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)C)C2)C1)C(F)(F)F 1839892330 HRWZHTIBRNSZQP-KRWDZBQOSA-N 407.433 0.949 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839970189 JJDMIZGQGXEWDN-IFXJQAMLSA-N 412.483 0.979 30 20 HCED Cc1cccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840040982 JQLQJARYGRFEJZ-QFIPXVFZSA-N 414.458 0.472 30 20 HCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840141117 XAGDYFBAAZKANL-RZQQEMMASA-N 405.451 0.112 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840293127 IAEGTHHKBLRHGX-SFHVURJKSA-N 416.421 0.746 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840585174 AXEVCFJFJNFIRC-LQWHRVPQSA-N 408.495 0.298 30 20 HCED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840812694 GBKSPSOELFGBMO-HXUWFJFHSA-N 415.450 0.249 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1841054582 SBSDDTCZVZBUBF-SREVYHEPSA-N 423.473 0.731 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1841747816 NDSZTSJVZJWSCI-LSDHHAIUSA-N 408.499 0.794 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1Cl 1844734425 AACFXVWDEHLJAR-CYBMUJFWSA-N 415.837 0.627 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1SC(=N)NC1=O 1844795685 ORFDFJHEGZJPID-MFKMUULPSA-N 400.464 0.506 30 20 HCED CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C[C@H]2C[C@H]21 1846197475 UAMITURWGHMOQD-KFWWJZLASA-N 417.462 0.676 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)c1ccc[nH]1 1847263066 XLJAHQDMCVLWLA-JEZUCGJFSA-N 413.478 0.195 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1847812215 KSQFFFLCULPINN-UGUYLWEFSA-N 411.499 0.665 30 20 HCED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1=O 410306490 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CN(C)c1ncc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1C 554184401 WUCDVSRGZPUSRM-KRWDZBQOSA-N 409.494 0.339 30 20 HCED CN1CCN(CCNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1(C)C 554490256 DEFVIUUVCGQVHA-UHFFFAOYSA-N 412.538 0.608 30 20 HCED C[C@]1(C(N)=O)CCN(c2cc(N3CC[C@](C)(C(N)=O)C3)c([N+](=O)[O-])cc2C#N)C1 557671276 PIZUXDOMJYKMOD-OALUTQOASA-N 400.439 0.870 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCN1C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)CC2 559472733 ABADSSOUYLIFMT-UOVPBQLFSA-N 404.426 0.371 30 20 HCED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 561120994 KXMLBGUFIALNFF-QGZVFWFLSA-N 417.485 0.573 30 20 HCED COCCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 561642042 HZRVSLGCYWWJLE-MJGOQNOKSA-N 416.478 0.144 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4c3OCCC4)CC2)cc1 562398500 NUNAOFYYXQIFAT-UHFFFAOYSA-N 401.448 0.684 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573024986 QZFMFFCVNAYKJH-KGLIPLIRSA-N 409.450 0.841 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 582934046 VQQLJFYGNDWCQC-UHFFFAOYSA-N 406.489 0.790 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(Cc3ccc(F)cc3)CC2)CC1 584257747 HXWXOLRMVFQSMN-UHFFFAOYSA-N 416.497 0.711 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606093502 STSAUBIJAALWBC-GOSISDBHSA-N 412.471 0.570 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)nc1 608894000 XKHDTZQLBHGXJL-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 609848755 XYFWVXPHQOKMHS-OAHLLOKOSA-N 401.467 0.599 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CC3)CC2)cc1[N+](=O)[O-] 619534239 WOBSDDQDCBTJRX-UHFFFAOYSA-N 423.451 0.923 30 20 HCED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 619855995 PGHQOFVLQQQXJU-UHFFFAOYSA-N 403.508 0.190 30 20 HCED NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 682264467 KIOJWHOTJQJMEI-MRXNPFEDSA-N 403.485 0.976 30 20 HCED CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726402164 ULLCJOVKVOIDKY-AWEZNQCLSA-N 419.507 0.722 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CCOC 731203416 GPKZHVJAKLHJGF-UHFFFAOYSA-N 403.529 0.985 30 20 HCED N#C[C@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908411 KJMLVTKZTKNPNO-IAGOWNOFSA-N 406.460 0.824 30 20 HCED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C1CC1 735190394 MUARRUBLJBCJKW-AWEZNQCLSA-N 422.467 0.255 30 20 HCED O=C1C[C@@H](Cc2ccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C(=O)N1 747551884 YBJNOFKNJXDKQY-JPWUFHEYSA-N 411.418 0.540 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O[C@@H]2CCOC2)CC1 748513945 OZFMXZFRCNPLSR-OAHLLOKOSA-N 407.492 0.912 30 20 HCED COC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1CC1 750300722 JBWUPKOWWVHUDV-UDWOFDDZSA-N 422.507 0.979 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3nnc(C)n3N)CC2)cc1 754803157 BAAJPBRVKFWSHK-INIZCTEOSA-N 401.496 0.810 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2ccnn2CC)c1=O 758082692 FOAKQIBNGPKSFU-QAPCUYQASA-N 423.542 0.957 30 20 HCED COCCN(C(=O)CN1CCO[C@@H](c2cccc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 761757243 JFAIHEVCPCSYAC-RTBURBONSA-N 421.519 0.594 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3nccn3C)CC2)cc1 763590302 PWFSSYZUUCBEPH-UHFFFAOYSA-N 401.492 0.730 30 20 HCED NC(=O)CON=Cc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O 771574491 HEDTVOQCUKVTBJ-UHFFFAOYSA-N 422.430 0.657 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccsc2)CC1)c1cc[nH]n1 772148785 LDTFLDDESQYIKF-UHFFFAOYSA-N 419.463 0.740 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 783478878 FSLPNJVJZDFWCF-MRXNPFEDSA-N 421.475 0.867 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OCC)c1 789458296 LCIVJTYXXCDPGI-GOSISDBHSA-N 415.471 0.897 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)O[C@H]2CCCN(c3ccc(F)cc3C#N)C2)CC1 789472949 CICWOPOTFYMJEQ-KRWDZBQOSA-N 424.498 0.787 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 790488879 HHXOCUYSLMLQPR-UHFFFAOYSA-N 403.426 0.750 30 20 HCED C#CCN(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 792305885 PJFFWDDAHGACTE-UHFFFAOYSA-N 420.535 0.811 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)o1 796144664 RLUVYICINXSTFT-UHFFFAOYSA-N 421.406 0.980 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@@H]1CCCO1 803132320 YIAUVYNUBWSYAV-FHWLQOOXSA-N 413.474 0.509 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)CC1 804891747 QGXXYYMDHBQJPD-QGZVFWFLSA-N 423.558 0.420 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1ccncc1 805809858 ZBJJXMRKOODPDE-RDJZCZTQSA-N 420.477 0.990 30 20 HCED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 809885272 WTAUDODRKMGGFJ-CQSZACIVSA-N 400.464 0.738 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2S(N)(=O)=O)cc1 814349735 WAFAFPCNZHWYLR-UHFFFAOYSA-N 421.500 0.518 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cn1 815479183 XPPIIOCRADIIPG-UHFFFAOYSA-N 403.342 0.841 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@H](C#N)C1 815754849 ALCIOJZHDXYNES-KFWWJZLASA-N 402.451 0.909 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2F)c1=O 838176888 HFPFAQQXNVLFHB-CYBMUJFWSA-N 419.478 0.349 30 20 HCED C/N=C(/NCCN1CCOCC1)NCCN1CCN(c2cccc(Cl)c2)CC1 849096110 AANLCXVSQGDBDL-UHFFFAOYSA-N 408.978 0.959 30 20 HCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 913242440 FNKDLWOGFPXNRN-KRWDZBQOSA-N 409.464 0.263 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 919539328 NTXQZGQASCHJKQ-NSHDSACASA-N 423.447 0.797 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1079142172 PRKHZSCJLAWXGD-DUXSEINCSA-N 404.507 0.957 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1122707756 NEGMSHPNUBBBGA-HZSPNIEDSA-N 419.459 0.378 30 20 HCED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 1295412411 WQXQBOLEEXKEPK-ZDUSSCGKSA-N 422.850 0.851 30 20 HCED Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1304717458 VMYSXRQVQBELAY-OCCSQVGLSA-N 406.516 0.968 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccs3)CC2)c(=O)n1C1CC1 1307384028 NSDNUADSKHJCNY-UHFFFAOYSA-N 413.503 0.931 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)N(C)C 1360570230 LPARROOLUFCVFS-ZNMIVQPWSA-N 413.548 0.299 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](c4nn[nH]n4)C3)CC2=O)cc1Cl 1443452932 QXOMZAPAMOCTAZ-SMDDNHRTSA-N 401.814 0.678 30 20 HCED CCc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1499264301 SVEIXTGSOKCPEB-AAEUAGOBSA-N 423.499 0.524 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503695540 BCABEQUGNCXQMQ-GOEBONIOSA-N 401.515 0.731 30 20 HCED CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1565691173 XORIZCYCUXYXTK-XJKSGUPXSA-N 424.548 0.899 30 20 HCED CCOC(=O)Cc1cnc(N(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 1584930651 WFRUHSJZALEMQV-UHFFFAOYSA-N 422.488 0.950 30 20 HCED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N 1626908274 YRVPXVQAUSKSSI-MRXNPFEDSA-N 400.435 0.947 30 20 HCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N3CC(O)(CC#N)C3)cc2)CC1 1659014564 QTPIZJAGWOTVIQ-UHFFFAOYSA-N 400.483 0.389 30 20 HCED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682227529 URTDFRVPLADGCX-IKGGRYGDSA-N 400.435 0.225 30 20 HCED Cc1oc2cc(O)ccc2c1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1777885655 PDINXCVVEJBKRF-OAQYLSRUSA-N 412.398 0.978 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778892919 OMKYKKZRUYLMOO-PXAZEXFGSA-N 422.400 0.495 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1778978166 DMNOUEVCTRDMAT-LAUBAEHRSA-N 404.511 0.972 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC[S@](=O)CC)C1 1779215031 BPDUOIVGINFWCN-ZLQZIMTESA-N 412.552 0.697 30 20 HCED CCc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1779833000 PXDPKGKKUBCQRB-NRFANRHFSA-N 416.526 0.708 30 20 HCED 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N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1C1CC1 497555210 TUDWDJKBLCVZBN-CYBMUJFWSA-N 402.501 0.499 30 20 HCED Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 498046500 LKPFYGOWFAVRLC-UHFFFAOYSA-N 404.408 0.347 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 506515370 ZLRPAUBDPPNRPO-BBRMVZONSA-N 420.491 0.968 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 507387695 HNPWKRSLFCGCFI-MRXNPFEDSA-N 400.522 0.969 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 508815162 YGUHLGKUUAPZIA-CVEARBPZSA-N 412.560 0.623 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 509001323 WPUYCMGXWWFCAE-UHFFFAOYSA-N 401.810 0.244 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 525664125 VNGGAFNDMSPNDY-OAHLLOKOSA-N 403.435 0.620 30 20 HCED C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccccc1 533379671 YXCUZKTXMZLIIC-WDSOQIARSA-N 420.535 0.409 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl 535549693 VAHCBVGWXMYIJY-UHFFFAOYSA-N 414.861 0.996 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC[S@](C)=O)cc1 537006475 MVXNUTPNPIGWDN-SRGMZFCMSA-N 415.537 0.705 30 20 HCED CCNC(=O)C1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 543932602 ANANYZAFQQJSDR-UHFFFAOYSA-N 400.826 0.930 30 20 HCED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCC(=O)NCC#N 558226644 QRDZAACQXGFDNO-UHFFFAOYSA-N 409.468 0.631 30 20 HCED Cc1ccc(C#N)c(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1 561333209 NSAWMNKBCSHOAT-UHFFFAOYSA-N 421.504 0.420 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCC1 562154691 NRVNGEBSIDUKCI-UHFFFAOYSA-N 412.494 0.367 30 20 HCED CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 567496795 QFCQNLCFFHRJQQ-ROUUACIJSA-N 420.535 0.890 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCc2nnc3n2CCCCC3)cc1 572654284 ZNWAFLFKEXGURX-UHFFFAOYSA-N 416.507 0.903 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 573929151 UWFVUTRSDPBVBT-CQSZACIVSA-N 400.460 0.830 30 20 HCED C=CCN1CCC(NS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 592285144 MPTZUVDKMMQMHH-IBGZPJMESA-N 422.507 0.679 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 608911948 JSRRHAJDZMMDIY-UHFFFAOYSA-N 414.443 0.422 30 20 HCED COCCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 609194846 LFLKZSDDZRJUTN-UHFFFAOYSA-N 421.498 0.793 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 609594755 CNLHXXDBCADJRU-MRXNPFEDSA-N 413.521 0.918 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1cccc(C#N)c1 610722427 YYBPYNNNJHDQKA-AWEZNQCLSA-N 410.434 0.429 30 20 HCED COCc1noc(CN2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)n1 614922732 VPJUUAVSJSZHBH-QGZVFWFLSA-N 401.467 0.840 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1 615255234 DRZLTIDDBZBZDL-UHFFFAOYSA-N 408.480 0.862 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)s1 679753221 JMCLHGPPCDLOMQ-UHFFFAOYSA-N 417.512 0.728 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 729030378 GNTTZNAJYMWRPR-DLBZAZTESA-N 406.460 0.414 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1=O 730407149 BICDNMGUCBYYAW-MRXNPFEDSA-N 410.839 0.737 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 730540328 OUEFJADETHHCPP-KRWDZBQOSA-N 411.458 0.799 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 733150655 RYGGMJPWXZFQED-UHFFFAOYSA-N 400.870 0.818 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NC3CCCC3)CC2)cn1C 733681321 SUPKGCKCJQFRGV-MRXNPFEDSA-N 421.523 0.897 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 735083069 RZYHKCWKWRCLEG-NXVVXOECSA-N 424.391 0.171 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)c1 737308053 WDLGUAXZIHYNOO-OSEFQUDUSA-N 422.507 0.715 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCCN2C(=O)c3ccncc3C2=O)c1 744220567 GHYQSGGOCZVWJR-UHFFFAOYSA-N 415.427 0.999 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)Cc1ccon1)/N=C1/NS(=O)(=O)c2ccccc21 747185664 ZJAPWOJNOFKPAV-JTQLQIEISA-N 412.449 0.138 30 20 HCED C#CCN1CCN(C(=O)CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)CC1 748651431 IITUNUVXQHYVBL-UHFFFAOYSA-N 422.532 0.948 30 20 HCED Cn1cc(N2CCN(CC(=O)[C@@H](C#N)c3nc(O)c4ccccc4n3)CC2=O)cn1 750055528 HDPHRUULHMPZML-OAHLLOKOSA-N 405.418 0.594 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 755535877 ITHMSQSDQBPPBJ-RISCZKNCSA-N 419.413 0.738 30 20 HCED C#CC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 757059444 VXCBLGVCUZEPRU-LJQANCHMSA-N 419.551 0.570 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(/C=C\C)cc2OC)CC1 761031053 MKFADEVWYXWXDL-SUZKBHRPSA-N 423.535 0.553 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1cccc(F)c1 765890659 KWWSYEKETSHBIJ-CJNGLKHVSA-N 421.450 0.920 30 20 HCED COC(=O)C[C@]1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 768546840 FFQABZKYYQWHBT-KPZWWZAWSA-N 409.464 0.342 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)c1 773298438 BLEKKVJXJDUOMM-UHFFFAOYSA-N 421.500 0.484 30 20 HCED C#C[C@H](NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12)[C@@H]1CCCO1 775343674 ZHWGWTMUOWQTDB-RYUDHWBXSA-N 404.500 0.194 30 20 HCED C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 782469373 IORVLIRGNNIDNM-JTQLQIEISA-N 419.394 0.856 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O 782932407 JDOPKBFPFOLRAM-GJZGRUSLSA-N 415.498 0.942 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)ccc1Br 783616785 RLGOBLHRBUJWKO-UHFFFAOYSA-N 411.299 0.427 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 790844626 UOGJXXIJIZZBGB-UHFFFAOYSA-N 410.448 0.889 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1nc[nH]n1)c1ccccc1 793873678 GLMUVQNZWHZHPP-HNNXBMFYSA-N 410.459 0.943 30 20 HCED COc1ccc(OC)c(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cnn3C)c2=O)c1 795196364 WGQFGWXNRZGNKT-UHFFFAOYSA-N 407.455 0.985 30 20 HCED CCC(=O)NCc1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1OC 798843671 PTANYBAMWBQLPP-LLVKDONJSA-N 420.451 0.251 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)n1cnc(C#N)n1 798863497 DWDHMVWBEKMYJF-QMMMGPOBSA-N 409.225 0.850 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 799284184 ZMNBXJPPFBDLKL-SJORKVTESA-N 402.451 0.816 30 20 HCED C[C@@H](C#N)OCCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 801806251 CPORASLLRAINNQ-GXFFZTMASA-N 421.269 0.560 30 20 HCED COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 802406545 LZSYYLSXUQZCGN-CYBMUJFWSA-N 405.484 0.613 30 20 HCED C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCOC2)CC1 802763582 ZHRYLUBSBVKXQW-KRWDZBQOSA-N 419.493 0.713 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)NC(=O)OC(C)(C)C 804044124 RNVNCYWSVHUXKA-CQSZACIVSA-N 416.482 0.631 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)CC1 805062516 GQLZAJKKZXKEBJ-HOTGVXAUSA-N 406.508 0.503 30 20 HCED C=CCN(Cc1cccs1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805379343 BPLVMDBNSZRCKE-UHFFFAOYSA-N 413.565 0.888 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)[C@@H]1CCCO1 806985673 CWEYWPGOYGDAOC-HOCLYGCPSA-N 424.475 0.351 30 20 HCED COc1cccc([C@@]2(C)NC(=O)N(NS(=O)(=O)c3cccnc3C#N)C2=O)c1 808330101 KNYHZFAJBAXUOO-QGZVFWFLSA-N 401.404 0.622 30 20 HCED CCN1C(=O)C(=NN/C=C2\C(=O)NC(=S)N(CCOC)C2=O)c2ccccc21 814318329 KDYYBZJRMHZQDB-HCJLOUOPSA-N 401.448 0.120 30 20 HCED O=c1c(C=NNC(=S)NC[C@H]2CCCO2)c(N2CCOCC2)nc2ccccn12 874037101 QGXCMBLMNOZEJX-CQSZACIVSA-N 416.507 0.508 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc2O1 881807926 HIATXBNAXDBSKV-HNNXBMFYSA-N 415.427 0.692 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)ccc1F 914465522 AGBFZWAGFPSEKP-UHFFFAOYSA-N 424.498 0.326 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOC 916200502 CZQHQQXCINJFEI-UHFFFAOYSA-N 414.443 0.270 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nnc(O)nc1O 1004585075 XKXCWHDMDYIJDY-JYKNGBAOSA-N 403.439 0.516 30 20 HCED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1263375074 FFQMRGINXYIJFS-ZIAGYGMSSA-N 402.432 0.499 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1298743290 OGEFAFCBFBFFOC-UHFFFAOYSA-N 404.496 0.717 30 20 HCED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)CCOC1 1314085152 OKXSFAZMMXDSMD-OXJNMPFZSA-N 420.514 0.775 30 20 HCED COCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316070128 BXFOZHGYOHFPPZ-KRWDZBQOSA-N 411.514 0.490 30 20 HCED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1465344055 QZNXUNUDOKELMX-QAPCUYQASA-N 411.462 0.616 30 20 HCED COC[C@]1(CO)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1468139005 WJAAGNFAKGHOLJ-HXUWFJFHSA-N 421.519 0.816 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1555988353 YCMVGOLEBQPKTF-AWEZNQCLSA-N 400.464 0.188 30 20 HCED CN(C)C(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1617602100 YHAUFRHUEIWOHY-PBHICJAKSA-N 412.450 0.998 30 20 HCED 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418.494 0.641 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)c1 1838734811 LXCMGAVOSOFRNO-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)cc1O)CCO2 1838890198 JTBZQXHYHCRSKR-OAQYLSRUSA-N 402.447 0.884 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1839222581 SAMHCIUEUCOCGL-WFXMLNOXSA-N 424.542 0.728 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)NC=O)C3)C2)c1 1839453085 NQFLOFRKYXAVEE-HRAATJIYSA-N 414.462 0.071 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1OC)CCO2 1839753968 MOCYDSQCRZYXJY-HXUWFJFHSA-N 406.866 0.981 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839843015 NUPIRNIHTZDHAC-IERDGZPVSA-N 416.478 0.689 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1)C(F)(F)F 1839892192 YQAAIFTXLPYJJZ-KRWDZBQOSA-N 414.384 0.974 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1)C(F)(F)F 1839892231 ALDNAWJFAQVJNV-MRXNPFEDSA-N 402.373 0.458 30 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20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 477673120 LKINEUVTPKJMTR-NJAPINKUSA-N 416.459 0.972 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1 479853779 UFPMHZHNCXNRLE-CQSZACIVSA-N 400.464 0.364 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)NCC1CC1 481203206 DMZNQRWYQZNZSC-WBMJQRKESA-N 422.532 0.653 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 484409012 KNMMTYGIAJJTFD-MRXNPFEDSA-N 403.870 0.915 30 20 HCED COCCC(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 487321025 JDRPTZAZBTYMJA-OAHLLOKOSA-N 415.498 0.596 30 20 HCED N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 488208936 IKQCFAXEPULWNF-UHFFFAOYSA-N 415.400 0.892 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3nc(OC)ccc3c2)CC1 491171647 LRHLBLHYEHNFAV-UHFFFAOYSA-N 411.462 0.628 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 500956677 XOJNLTDCJWDFAW-HNNXBMFYSA-N 419.500 0.605 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)C2=O)cc1 501198807 UPKHGHXFVUTUIG-USXIJHARSA-N 402.476 0.882 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN(C)S(=O)(=O)CC)cc1 506275277 KXYJGDKXQMLCQB-UHFFFAOYSA-N 403.526 0.552 30 20 HCED CN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H]1COC[C@H]1O 507662809 ZWUFLEHLDMQZDH-IAGOWNOFSA-N 400.435 0.426 30 20 HCED CC(C)(O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513267169 KRHVMATVRYFOOO-UHFFFAOYSA-N 414.441 0.737 30 20 HCED CNC(=O)[C@H](NC(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)c1ccccc1 513589393 WANHOBCQJHCOKX-LERMDLETSA-N 417.469 0.935 30 20 HCED CN(C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1)S(C)(=O)=O 514813528 GAGZQJFJJIZMFV-HNNXBMFYSA-N 400.526 0.330 30 20 HCED C=CCN1CCC(NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 522974211 BXBTUKSKSKAHDB-UHFFFAOYSA-N 414.572 0.909 30 20 HCED COc1ccc(CCN2C[C@@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cc1OC 524813114 CMPMSHZORZJTKR-KRWDZBQOSA-N 400.479 0.763 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1=O 534980389 QCPIVTQIYSOHMB-UHFFFAOYSA-N 401.467 0.060 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 543258740 OYAWUADSNCLBHT-GJZGRUSLSA-N 404.467 0.747 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[S@](C)=O)cc1 543268387 ITCYJTNIVKAZES-VDBVYFBLSA-N 401.510 0.315 30 20 HCED COCCn1nc(C)c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 546907424 PAZXUXDDNCLVST-UHFFFAOYSA-N 411.466 0.700 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 548697583 XFAVXAPQDGIFEQ-UHFFFAOYSA-N 400.420 0.760 30 20 HCED COc1cc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)ccc1OCC(N)=O 550519687 BIYVFAGKTJKIDJ-UHFFFAOYSA-N 408.414 0.636 30 20 HCED CN(C)c1ncc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C 554183785 ORSNXZGXNKTHOD-QGZVFWFLSA-N 423.477 0.286 30 20 HCED CN(CC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)S(=O)(=O)c1ccc(C#N)cc1 560898526 DZGZIFMDVGHORE-NLWGTHIKSA-N 421.519 0.957 30 20 HCED C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 573109637 ISPGXDUITYPMJY-INIZCTEOSA-N 419.507 0.876 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 576030953 WAJOYMABDBXYIZ-UHFFFAOYSA-N 416.445 0.499 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 579995759 DXTGQCVPRBVLCL-GFCCVEGCSA-N 419.511 1.107 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 588126205 DCHLBNLPPLRFGS-LJQANCHMSA-N 411.506 0.440 30 20 HCED Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n(CCC#N)n1 604480730 KCPXUEDCXRCHGR-UHFFFAOYSA-N 406.468 0.717 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c([N+](=O)[O-])c1 610264475 ZGZLCEWKJSPQEN-UHFFFAOYSA-N 408.417 0.865 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1=O 610870077 OVFAQCQZSMNGOB-ZMZPIMSZSA-N 403.826 0.987 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 611547942 BIXVTIWCMIEBOK-QZTJIDSGSA-N 411.462 0.297 30 20 HCED 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HCED C#C[C@H](CCC)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 791740405 CJEAWUSIGAREIM-ZBFHGGJFSA-N 400.522 0.686 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795841797 UQUSDCPABLQGME-QFYYESIMSA-N 419.356 0.562 30 20 HCED C[C@H](CC(=O)N1CCOC[C@@H]1[C@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 804395028 XQCXNKZUTHSQJM-FVQBIDKESA-N 407.492 0.910 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 804894264 YSKBNXJAJOASFE-DOTOQJQBSA-N 424.542 0.894 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnnn2C)cn1 807936643 OXWSYZOZKWXENN-AWEZNQCLSA-N 402.484 0.832 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)cn1 811475297 IJMGGDZUYUUVJH-UHFFFAOYSA-N 403.439 0.719 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(CC)CC2)cc1 811831557 FCQGDUXKVIJRMO-HNNXBMFYSA-N 407.492 0.308 30 20 HCED COC(=O)C(C)(C)c1csc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 815491087 IEFLWBIQVBJQBJ-GFCCVEGCSA-N 405.480 0.731 30 20 HCED N#CCN(C(=O)COC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652734 MNLNQJJPHOZAHS-HOCLYGCPSA-N 419.459 0.122 30 20 HCED CC(=O)N1CCN(C(=O)COC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 914819424 QQUQYVMJIYRWHU-UHFFFAOYSA-N 412.450 0.384 30 20 HCED CS(=O)(=O)N1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 1116324044 JETCOHOLUOZZFV-AWEZNQCLSA-N 403.464 0.479 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C1CCCC1 1190393797 JEPATKJHSIDKAH-OAHLLOKOSA-N 401.514 0.186 30 20 HCED C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 1318042020 UTWVZWWTYAGOCW-CJNGLKHVSA-N 412.446 0.567 30 20 HCED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1=O 1503683144 POEWZKQAJGMUEU-UHFFFAOYSA-N 414.491 0.672 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1CCCO 1508427628 QMEQYNGPXKYOTE-DLBZAZTESA-N 403.531 0.843 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cccn2)CCOC1 1516223976 JUHAHRUQTAAYQM-APWZRJJASA-N 401.471 0.946 30 20 HCED COCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1555528936 YPNCRJGZEFQYLT-INIZCTEOSA-N 410.544 0.498 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)nc1 1583088072 SMKNWLXANORCDL-OLZOCXBDSA-N 402.398 0.825 30 20 HCED Cn1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc2cc(Br)cnc21 1585296184 QOOJIZOAEBLLPK-UHFFFAOYSA-N 417.223 0.900 30 20 HCED N#Cc1ccc(OC2CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)C2)cc1 1611238760 UDLUWRGGYPZQSV-LJQANCHMSA-N 424.432 0.890 30 20 HCED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cn1 1618392023 XYESWTNTJOIAEV-KRWDZBQOSA-N 407.475 0.945 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cn(C)nn1 1629482620 RAZSOOZMJQXYOY-HNNXBMFYSA-N 404.496 0.927 30 20 HCED CCOC(=O)CC1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)COC1 1636753354 ZACRMLRHPSOLKG-LBPRGKRZSA-N 409.464 0.342 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc(C(F)(F)F)nn1C 1654616199 USWBUYQOFHOGJK-SNVBAGLBSA-N 415.401 1.000 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2=O)n(C)n1 1679544343 QGTBPHYGVXYQCI-KRWDZBQOSA-N 408.466 0.632 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC12COC2 1681433122 CFVDRBZEHCIMMM-SOUVJXGZSA-N 422.482 0.967 30 20 HCED CC(=O)N1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1690869499 IZODCBPSGVLXLA-APWZRJJASA-N 405.478 0.388 30 20 HCED CCC(CC)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)OC 1743960496 SPDQJSKMBNOOKP-ZIAGYGMSSA-N 414.532 0.822 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777977960 YCUIFSGLVGOJIF-DYESRHJHSA-N 413.478 0.746 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778868565 COMUUHBIRICFFD-VXKWHMMOSA-N 409.442 0.964 30 20 HCED O=C(COC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1778891317 GOESZPHZVCFQJM-LBPRGKRZSA-N 424.269 0.822 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1779271711 RMOXUFFXVBAJRS-OZQHCQBDSA-N 420.554 0.862 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780597249 NMURBBQQCRUZDV-OXQOHEQNSA-N 416.434 0.066 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1781397667 FTMRJCXJDPGUTB-FOIQADDNSA-N 419.482 0.746 30 20 HCED NC(=O)c1ccccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015499 RITFDIQXPRQAEB-IIBYNOLFSA-N 413.430 0.001 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192856 XAQCHUXEQPZCCD-PGRDOPGGSA-N 422.489 0.972 30 20 HCED CSc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783567408 NEXARWBSAJRXPZ-FQEVSTJZSA-N 402.472 0.869 30 20 HCED COC(=O)c1ccc(OCC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1785719581 BOGYWAITHCCGRY-NRFANRHFSA-N 415.446 0.986 30 20 HCED CCOC(=O)/C=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1786376401 YHZOGOCSIDSORG-YPKOJEJASA-N 417.462 0.798 30 20 HCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(CCOC)n3)[C@H]2C1 1787637653 KUTHZTYHXYCOOJ-LNLFQRSKSA-N 402.495 0.926 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]2C1 1788563234 ZFJVPVDRNIAYNR-NRKLIOEPSA-N 410.515 0.265 30 20 HCED NC(=O)c1nccnc1C(=O)NC1(c2ccc(NC(=O)C#CC(=O)O)cc2)CCC1 1791448928 IBROERSLVOSQIN-UHFFFAOYSA-N 407.386 0.411 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791554399 JXWHPOXYJXILOB-QPSCCSFWSA-N 409.512 0.468 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(O)cn4)[C@H]3C2)c1 1791710697 SMCOKWRMZNUFED-FNHZYXHNSA-N 409.446 0.823 30 20 HCED CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1793247905 RHZKDXSSWNNLAB-PDOICOKGSA-N 419.522 0.189 30 20 HCED CC[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)N(CC)CC 1793456839 BHUOQAXZFVYYNG-FCGDIQPGSA-N 421.586 0.978 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)ON=C(C)C)C2 1793536251 LYZAZDZDYIUMOY-DGADGQDISA-N 416.544 0.753 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)CS(C)(=O)=O 1793598071 FHOOYMCVXZOJIC-JONQDZQNSA-N 414.524 0.815 30 20 HCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)n(C)n1 1794746676 DFBUNWVCIRTOIC-UPHUGPLXSA-N 423.473 0.882 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1cncc(F)c1 1794849837 GGZSAIVAFDVRHN-DLUMSKLASA-N 403.458 0.896 30 20 HCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797656487 WNUUFQAWXIVERN-PEGIJTEDSA-N 414.327 0.893 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1797742085 JSPMIVUARAHTOD-ADUKNNKPSA-N 414.510 0.504 30 20 HCED Cc1n[nH]cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785226 XWKIVGICPRMCGA-HGKCTWBKSA-N 400.479 0.620 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1799391920 UYMYFJTTYHXCHK-AFIMGQEJSA-N 414.466 0.733 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1OCCC2 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CC(C)(C)n1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1 1811555555 KSCXPGPHDJIERG-KXBFYZLASA-N 424.461 0.836 30 20 HCED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1813040505 PSBLYNTUCWSHAU-DETPVDSQSA-N 414.491 0.608 30 20 HCED CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C2(C#N)CC2)CC3)CC1 1814578087 SAJHJPZVFUBRDC-AWEZNQCLSA-N 416.551 0.996 30 20 HCED Cc1nnc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)s1 1817578144 XBHPJZJIVSVNBA-LBPRGKRZSA-N 402.436 0.892 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1819709136 GMZHAWNJLVNAGE-FZMZJTMJSA-N 420.539 0.468 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)CC1 1827429947 XFZPLIZMCHMZKL-HNNXBMFYSA-N 401.419 0.814 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828965957 WQURPOHGFBWKRY-QFUCXCTJSA-N 421.538 0.295 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(COC)CC1)CCO2 1831367467 HEQSZSGQVZNHPD-NRFANRHFSA-N 410.511 0.852 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)noc3C)C2)C1 1831387585 QTKCVHPHIYEFKT-UWJYYQICSA-N 419.478 0.329 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1831426371 KTCMJKGBPLTBLH-KJZPAOQPSA-N 416.540 0.193 30 20 HCED Cc1nc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)no1 1831484709 BPDYUGUTVBVSEA-SJLPKXTDSA-N 412.512 0.331 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1831485171 QPMCZYFEKBXNFQ-CZUORRHYSA-N 400.526 0.563 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2nc[nH]c2[N+](=O)[O-])CC1 1831668400 FRSMLXFOOLBCPK-CYBMUJFWSA-N 403.395 0.639 30 20 HCED Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1833068162 BYQQOLDDXUTMCF-KXBFYZLASA-N 411.524 0.999 30 20 HCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1833492771 QLNVENQVTSZXNK-YOEHRIQHSA-N 423.587 0.760 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1834400538 LZDDJBYTWHBLHT-UHFFFAOYSA-N 402.455 0.046 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1834776082 BWGJAVPVPHXOAR-SGSXCFNPSA-N 405.451 0.256 30 20 HCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344658 OJESKJYHZZCYIT-NRFANRHFSA-N 414.462 0.772 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)ncc1[N+](=O)[O-] 1835357226 LLNLOOQYRPHAFU-IBGZPJMESA-N 417.422 0.672 30 20 HCED CC#C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)CN)CCO2)C1)c1ccc(O)cc1 1835555168 LBUQWJPCYWIEKW-PGRDOPGGSA-N 415.490 0.304 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)o1 1835675287 MFJAJLABQGSUQE-NRFANRHFSA-N 418.494 0.940 30 20 HCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835706638 NRGZPSIHPMTAHP-OAHLLOKOSA-N 418.542 0.569 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844282 QHQHYHVWMNTDDW-JXFKEZNVSA-N 422.570 0.921 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836013822 DOUKDGJLVRLVMC-XMSQKQJNSA-N 419.522 0.977 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1836021332 FEXZLGVXBZMVOT-HXUWFJFHSA-N 422.482 0.360 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CNC4=O)CCO2)C1 1837152963 ILUVSJLRRGWJJM-RBZFPXEDSA-N 419.503 0.318 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1838127012 QJTFRMHTABJQJV-HXUWFJFHSA-N 413.434 0.821 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838287188 KOEHLNRPGQISHS-UHFFFAOYSA-N 404.555 0.646 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1 1838584348 WWARXORSZCBCBQ-VBKZILBWSA-N 419.503 0.955 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1839065361 COHGPZZHSCAKFE-UWJYYQICSA-N 415.494 0.298 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1839224224 PFMQRKCACABHNN-BEFAXECRSA-N 405.455 0.348 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839238523 RQDJLFLDXSAWMG-NRFANRHFSA-N 400.479 0.439 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)c(C(=O)O)c(C)c1)CCO2 1839481282 ZXBYCLBOWTWBMK-OAQYLSRUSA-N 400.431 0.705 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3c1NC(=O)C3)CCO2 1839574575 RBPVJOGDPFDCTK-QFIPXVFZSA-N 411.458 0.665 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840021107 VGYWFGRNAACACE-IIBYNOLFSA-N 401.463 0.328 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321500 HAVBAQDNVOMCNZ-INIZCTEOSA-N 405.398 0.010 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840484866 ODXRWBFHQFNBGN-OAQYLSRUSA-N 401.463 0.468 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497689 QDYJNQSRGJOETK-IERDGZPVSA-N 403.479 0.998 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccccc2-n2nccn2)C1 1845428586 GZJQODLPMKJADO-HJWRWDBZSA-N 420.473 0.943 30 20 HCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1 1846370103 WJVCOOWOXZGMBS-INIZCTEOSA-N 418.556 0.594 30 20 HCED N#CCCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 9444096 ATUXMEJXDFKQCK-UHFFFAOYSA-N 411.436 0.089 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3Cc4ccccc4C[C@H]3C(N)=O)CC2)o1 31583136 SFOPEYHYPIKEBE-SFHVURJKSA-N 408.462 0.416 30 20 HCED NS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)o1 47910680 MMNMXWHIZVRTCP-UHFFFAOYSA-N 412.449 0.650 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCc2c(F)cccc2F)c1=O 53576846 KJXUOCFPSCKYNW-UHFFFAOYSA-N 406.389 0.181 30 20 HCED COc1ccc(NC(=O)Cn2cc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cn2)cc1 64550785 VEBJEXJXVXXFGZ-UHFFFAOYSA-N 409.406 0.543 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)c1 144757929 HWJAEAYFCSLEJW-UHFFFAOYSA-N 410.478 0.918 30 20 HCED CN(CC(=O)Nc1ccc(Br)cn1)c1c(C#N)c(=O)n(C)c(=O)n1C 301731135 DQDPKEKVQLJONY-UHFFFAOYSA-N 407.228 0.188 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 409503779 ZBCGBTRYSMDAQD-HNNXBMFYSA-N 400.888 0.920 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1C 409529820 NILJFFAQJFVSKA-CQSZACIVSA-N 414.553 0.946 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(C)c2)CC1 429795368 ZDZYDOHWKIUMOE-PCXSUYPWSA-N 406.556 0.218 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 437395710 WBDSMCAMMZJNIU-RBSFLKMASA-N 404.471 0.466 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)nn1 441782005 ARRFVHJKJDULAJ-LBPRGKRZSA-N 416.463 0.958 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 445173449 OTRKOXRLXQNVPJ-MOPGFXCFSA-N 407.426 0.945 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 461308959 QANBEANEEYUGGU-UHFFFAOYSA-N 418.417 0.438 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CCN(C)C)CC1 465224232 MUZVZHLCWRIFBH-INIZCTEOSA-N 400.531 0.594 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N 468648395 KQVONPJSMXRHAD-YJBOKZPZSA-N 414.528 0.274 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnc4onc(C)c4c3)CC2)c1C#N 472202563 CAFOZCPQBQMAIU-UHFFFAOYSA-N 401.452 0.956 30 20 HCED CC(C)N1CCC(O)(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 472402910 AQIGLWPIYVAODZ-UHFFFAOYSA-N 408.524 0.530 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 472742057 YMQRMGVIWOORGW-QGZVFWFLSA-N 400.460 0.439 30 20 HCED Cn1c(=O)ccn(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c1=O 473586637 IYLOBSKHZQAONL-MRXNPFEDSA-N 401.854 0.609 30 20 HCED Cn1ncc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1C#N 474283699 JPUZTNQKYRWWET-UHFFFAOYSA-N 418.435 0.566 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(C)cn3)c2=O)cn1 474364214 UXTXPVXHHHKPPN-UHFFFAOYSA-N 422.514 0.847 30 20 HCED C[C@@H]1CN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)CCO1 481781590 QJHMDLMWUIAIHP-HZPDHXFCSA-N 420.535 0.937 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)C(=O)OC 481785238 WQKANGKSCCIBJX-LAPQFRIASA-N 409.483 0.984 30 20 HCED CNC(=O)c1cccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482107758 XTORKGKZVLDVOT-CQSZACIVSA-N 414.487 0.944 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@H]2C(N)=O)nnc1-c1cnccn1 488901370 SRDDBKDMYDJRCL-LBPRGKRZSA-N 416.467 0.199 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1F 489694586 HUYXFCVOYQFVHD-HNNXBMFYSA-N 417.484 0.512 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 491084599 ZRHVXCNJASNUEM-UHFFFAOYSA-N 413.478 0.198 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c1=O 512775734 BOIQDSSGCHYXQK-UHFFFAOYSA-N 419.576 0.907 30 20 HCED CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513296062 ZTKQOMGSAQRXNK-AWEZNQCLSA-N 414.441 0.737 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C#N 516151160 MLHDOSKIRYFVSP-BLVKFPJESA-N 401.471 0.873 30 20 HCED CC(C)C[C@H](CN(C)S(=O)(=O)N(C)CCC#N)NS(=O)(=O)N(C)CCC#N 534804414 JTBIGEWYAWYMJH-OAHLLOKOSA-N 422.577 0.103 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1C 534892445 HZWKLRKNBPIKTE-CQSZACIVSA-N 401.448 0.603 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 545460636 SICHKNFUJSCHCT-CQSZACIVSA-N 404.434 0.584 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H](OCCO)C3)n2)c(F)c1 548742877 FAAMJHHYMRWEJO-CQSZACIVSA-N 401.398 0.821 30 20 HCED CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 550725645 UDMXEFSBFJTTGD-UHFFFAOYSA-N 420.473 0.620 30 20 HCED CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 553355471 DMWOLBVFOUSSNF-RBUKOAKNSA-N 411.506 0.766 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 553712958 YZAGVIBXEDZKKC-DLBZAZTESA-N 417.485 0.619 30 20 HCED COc1ccc([C@H]2CCCN2C(=O)CN(CC#N)S(=O)(=O)N(C)C)c(OC)c1 554950173 WEGDUQPJDIECQD-MRXNPFEDSA-N 410.496 0.999 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1 555288139 LGPQRHDIMGJMQK-HNNXBMFYSA-N 413.521 0.621 30 20 HCED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 556637674 OHZLXUMNOCUNLC-UHFFFAOYSA-N 415.494 0.695 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2S(N)(=O)=O)cc1 561712212 YOEBAIVFUODRMM-UHFFFAOYSA-N 422.488 0.456 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)n1 565334229 JFXNWXUDSJRSBD-AWEZNQCLSA-N 422.426 0.722 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)Cc2ccc(C#N)cc2)c1 565387047 WMUCVZBTWAUGNL-UHFFFAOYSA-N 422.488 0.524 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cccc(C)c1 603789151 OQKUYSKUKWZFIS-UHFFFAOYSA-N 420.494 0.868 30 20 HCED Cc1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 609970135 WYTSMWCMCDECOH-UHFFFAOYSA-N 418.457 0.775 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1CCCN(CC#N)C1 610492289 SJGUSXKKCGJBKQ-OAHLLOKOSA-N 409.512 0.011 30 20 HCED N#C[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 615640407 XHYHIYKAMIHYQB-KRWDZBQOSA-N 416.425 0.735 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c(C)c1 727164246 NRTAEILCMFXCBS-UHFFFAOYSA-N 402.501 0.103 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 728532271 RWLXZUGWBFWVBC-IBGZPJMESA-N 411.568 0.652 30 20 HCED C#CCN1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 730277954 HOSAECUJMHYZLI-MJGOQNOKSA-N 405.520 0.858 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)ccc1F 731882930 ZGBPRWSBJQWVGV-LBPRGKRZSA-N 419.500 0.431 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(CC)c2)c1=O 732561924 WXBXMNCQFNZLDD-UHFFFAOYSA-N 415.519 0.334 30 20 HCED CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732897585 BMSNUSBYTKOGIF-IKBYJFNHSA-N 410.496 0.715 30 20 HCED CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)CS(=O)(=O)CC 733122029 QLVUVSPRJKOADP-LBPRGKRZSA-N 401.510 0.397 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCCN1C(=O)c2ccccc2S1(=O)=O 741339230 CXSDMIZYXFKJPO-WUKNDPDISA-N 419.415 0.291 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)Cn1cnnn1 744876504 YAKWCSQMWDBMLV-BFUOFWGJSA-N 413.438 0.912 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 745433432 IKNRKMIKVNJYKZ-UHFFFAOYSA-N 409.464 0.466 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc(C(=O)OC)c2)CC1 747278226 MIAOQBJEFJYKHH-UHFFFAOYSA-N 407.492 0.060 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758050501 TWIPBRJQPMMKNI-UHFFFAOYSA-N 417.494 0.756 30 20 HCED N#C[C@H](C(=O)c1cnc(OCc2ccccc2)cn1)C(=O)N1CCS(=O)(=O)CC1 759495091 JSOWDGMEPQSEDL-OAHLLOKOSA-N 414.443 0.635 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cc1 761384861 MHTHXQFZVPHEFZ-UHFFFAOYSA-N 405.388 0.786 30 20 HCED C[C@H]1CN=C(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)S1 765658569 RJBWQIZFACDIHX-KBPBESRZSA-N 421.548 0.861 30 20 HCED C#CCOc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 769463481 OTKUMTIXYSLYIT-SFHVURJKSA-N 405.520 0.120 30 20 HCED CCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 770412077 ISODFHZBQSYKQB-JXAWBTAJSA-N 402.498 0.377 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 771485416 RJIDRRMRSTZLBO-UHFFFAOYSA-N 409.445 0.203 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c(Cl)cccc2OC(F)F)c(=O)n(C)c1=O 771888805 HDLDDRJLXZQKOJ-UHFFFAOYSA-N 422.797 0.651 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)[C@H]1CCCO1 773058046 QOWGTOGPKZWYGQ-IAGOWNOFSA-N 401.506 0.959 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 777254855 MKUGFPULSOIWOI-UHFFFAOYSA-N 402.520 0.772 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 783298315 TYHABUBNBBIBJR-AWEZNQCLSA-N 411.480 0.211 30 20 HCED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 784953198 DIBGSRWQNAUDIL-LLVKDONJSA-N 400.413 0.775 30 20 HCED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cn2)CCO1 787200331 ULRDDBGDTCUZKD-OAHLLOKOSA-N 423.477 0.418 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)CC(C)(C)C#N)cc1 790038996 GTRRUPRTWSECOB-UHFFFAOYSA-N 402.494 0.744 30 20 HCED Cn1c(=O)c2ccc(C(=O)O[C@H]3CCCN(c4cc(C#N)ccn4)C3)nc2n(C)c1=O 791978129 PDIYHJTXZBBPKL-AWEZNQCLSA-N 420.429 0.725 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1 792403645 DUUNKBMCIAVXNS-IBGZPJMESA-N 422.489 0.944 30 20 HCED COC(=O)[C@@H]1CCN2C(=O)N([C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C(=O)[C@H]2C1 794796631 VOFDWQZIWSRXMC-AAVRWANBSA-N 406.439 0.961 30 20 HCED C[C@@]1(C[C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)NC(=O)NC1=O 807357523 MQCKAFWFGUCIHX-BLVKFPJESA-N 417.397 0.646 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273827 LBTUOSAKFYDSCO-UHFFFAOYSA-N 423.445 0.033 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(Cc2ccncc2)CC1 819579762 IANBUEKNZMGVKE-UHFFFAOYSA-N 414.487 0.716 30 20 HCED COCCN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 842484455 JQQTUDRLVLQOJF-QGZVFWFLSA-N 422.551 0.930 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1C(=O)CCC1=O 913220219 HAULIPRFQSOUNK-CQSZACIVSA-N 421.475 0.832 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 914859460 NFSXXHOZPZTNQR-OAQYLSRUSA-N 422.445 0.957 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 916892524 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KAXLXIMRSFMNNL-AWEZNQCLSA-N 405.484 0.269 30 20 HCED Cc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)n[nH]1 1304683601 JNUFOZYTWBVYLA-CQSZACIVSA-N 418.527 0.980 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 1464017882 IQYPXGDLNNKXBQ-GOSISDBHSA-N 406.508 0.799 30 20 HCED CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503841067 MLHFDSWHMHCRFY-HNNXBMFYSA-N 409.560 0.592 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CC1 1541993488 UDWGLEWQQIDBDY-GJZGRUSLSA-N 409.512 0.726 30 20 HCED N#Cc1cc(F)ccc1N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 1635882612 YJIPJTAMLCQWOI-UHFFFAOYSA-N 415.450 0.844 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](CN4CCCC4=O)C3)CC2)o1 1643898229 UIQQBKJIFNZFNI-INIZCTEOSA-N 400.483 0.448 30 20 HCED CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1771342314 SNOGNOCTPITXRE-UHFFFAOYSA-N 419.532 0.963 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825381 NMECFWWHIVGCOS-UGSOOPFHSA-N 404.496 0.522 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)N1C[C@H]2C[C@H]2C1 1778858846 IHLPCMBYVLWXNE-PBSWHRDQSA-N 417.554 0.628 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1778868559 COMUUHBIRICFFD-FCHUYYIVSA-N 409.442 0.964 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1778972735 DMCOPQMEKGRZNA-PNHOKKKMSA-N 412.483 0.005 30 20 HCED Cc1nc[nH]c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101479 LIJOSABJGCNCEP-ASWIKEOKSA-N 405.455 0.691 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779315668 LYPYGUDNWFAHHP-OPYAIIAOSA-N 407.511 0.736 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 1780334392 VJDCVKVIWLQSBY-FQEVSTJZSA-N 411.466 0.990 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1781268757 WBWCLTCQGBVTFJ-OAQYLSRUSA-N 401.463 0.963 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1781271940 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C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)[nH]n1 1815204718 HLNMHHUYAATKLT-HOCLYGCPSA-N 420.514 0.977 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(C)(=O)=O)CC2 1819708992 DIUOBRYIUGCADY-GXFFZTMASA-N 415.537 0.673 30 20 HCED C=CC[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819890677 KJSCALLHHUHMEH-ZJNRKIDTSA-N 408.524 0.918 30 20 HCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@](C)(O)CC(=O)O)CC2 1826031255 IXUIAWLGWHJVDH-BEPCFFQHSA-N 401.510 0.989 30 20 HCED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1827047953 VXPBSCPDSIAHCJ-INIZCTEOSA-N 423.477 0.955 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CC)CCN2C(=O)OCc1ccccc1 1828535088 HMUJHHRTUYMNIQ-GCJKJVERSA-N 413.474 0.843 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1829860393 AEMUZSOHQJSEPR-CRAIPNDOSA-N 417.453 0.569 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1831396392 LJKJLUDBFRRELH-AUUYWEPGSA-N 422.869 0.238 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1831419732 PRSOBBBVXRSDGV-WFXMLNOXSA-N 409.527 0.518 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1831427057 SJJSHDOCECSQBH-YWZLYKJASA-N 407.442 0.882 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1831431237 BYIHUDMMHFLUHH-KUHUBIRLSA-N 422.438 0.584 30 20 HCED C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)COCCOCCOCCOC)CC1 1831731828 FVRZRZSLFDWGCU-HXUWFJFHSA-N 424.538 0.936 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831872923 XJEKTGSMWBBSDF-DYESRHJHSA-N 420.510 0.372 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832672368 XTCSVJSZRBCCOI-UWJYYQICSA-N 419.478 0.508 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnnc(Cl)c4)CCO3)C2)CCC1 1833211717 CKYAGUIGZNOJAH-LJQANCHMSA-N 419.869 0.894 30 20 HCED COc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1833501918 CDZVQOGUUMZGIW-BEFAXECRSA-N 424.523 0.510 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)COCC)CC2)CC1 1834479874 TVGLVPQPCWQONX-WAYWQWQTSA-N 406.527 0.453 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834605142 DRJZBMJLALGRJN-UWJYYQICSA-N 420.462 0.283 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768008 WYIATFQSRXTGNX-IBGZPJMESA-N 410.471 0.271 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4nc[nH]c4[N+](=O)[O-])CC3)CC2)CC1 1835099838 GMRGDEKEQQNUKY-UHFFFAOYSA-N 415.454 0.807 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835707528 IVKQZUMWZQQAKB-CTNGQTDRSA-N 400.479 0.341 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](COC)NC(C)=O)CC2)CC1 1835844285 QHQHYHVWMNTDDW-UZLBHIALSA-N 422.570 0.921 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1835914390 PNBQULKDVGFOAX-DENIHFKCSA-N 414.506 0.935 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1837395201 SNWTWARIZVKAKJ-VBKZILBWSA-N 424.473 0.500 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(F)nc4)CCO3)C2)c1 1837847318 YFKXIAXDFQLQKI-FQEVSTJZSA-N 413.409 0.804 30 20 HCED CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839016547 NAOHKWSRSOCYRK-JOCHJYFZSA-N 414.458 0.797 30 20 HCED CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223911 KCGYJEZTWGDUQH-OXQOHEQNSA-N 421.498 0.774 30 20 HCED NC(=O)c1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839349409 SIXLGXGHZFCXTQ-QFIPXVFZSA-N 411.458 0.269 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnn4)C3)C2)cc1 1839362765 MUSOCGPIZGKZHD-QFIPXVFZSA-N 421.457 0.926 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2)C(F)(F)F 1839711547 YSGXNHQOVOSABQ-CJNGLKHVSA-N 417.388 0.414 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1839806038 XYLFQQZWMKALMO-CSODHUTKSA-N 406.479 0.446 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839845619 VRXJTPZVWYBYAL-SUMWQHHRSA-N 421.416 0.334 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839845973 FDTMVKBBJKOKQN-MGPUTAFESA-N 420.466 0.230 30 20 HCED Cc1nnc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)s1 1840157987 FIFWELKHZCLZJX-YVEFUNNKSA-N 414.553 0.554 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCC(O)CC4)C3)C2)CCC1 1840815997 LWVWODGWHIAYIB-BPZDKFOGSA-N 405.495 0.688 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301376 KKUUCDNWFHEOLN-XVDYNPRASA-N 404.471 0.647 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)c1Cl 1844734992 OUAGKOMFEGQLQN-AWEZNQCLSA-N 403.870 0.621 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1847068781 FVLYFMQWCBBHOQ-CQSZACIVSA-N 406.483 0.243 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847819782 RBBKCUDJBNGQMO-WLJNTATBSA-N 415.512 0.398 30 20 HCED C[C@@H](NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)N(C)C 52534802 SFHVKRDQHYNQBM-CYBMUJFWSA-N 400.439 0.521 30 20 HCED CCc1nc(CN2CCC(CNS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cs1 410199444 QDBUPOCVHFSFAR-MRXNPFEDSA-N 413.569 0.976 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 434742884 CIIYDHFCDPAZEA-ROUUACIJSA-N 411.572 0.179 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)Nc2cccc(F)c2)cn1 438879178 ZIWLZMOVJYGORQ-UHFFFAOYSA-N 407.365 0.971 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)n1 444525902 IZBFMOBWFQYHQJ-GFCCVEGCSA-N 407.833 1.495 30 20 HCED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)nn1-c1ccccc1 446530963 KPYFWQNPMROVDD-UHFFFAOYSA-N 410.478 1.194 30 20 HCED N#C[C@H]1COCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 464795912 SJDYLTRZQDBTKQ-AWEZNQCLSA-N 409.464 0.657 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](CO)O1 469980804 HEJDEIOPVOOBJT-GJZGRUSLSA-N 415.450 0.536 30 20 HCED CN1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCC1=O 471040047 IBNJONLPBIMOFB-MRXNPFEDSA-N 411.462 0.945 30 20 HCED C[C@@](O)(CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)CN1CCOCC1 476266279 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HCED N#CCCn1ccc(NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 510628684 JMHVXNWXGOXZHM-LSDHHAIUSA-N 422.445 0.771 30 20 HCED N#Cc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3cccnc3)CC2)c1 513791088 JJTFFQYYOGZTGO-UHFFFAOYSA-N 420.516 0.733 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 521106981 JVZWIBPPWZNFDN-SFHVURJKSA-N 407.478 0.395 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cn1 523390536 PKUKNHSVHNUQEF-UHFFFAOYSA-N 415.479 0.091 30 20 HCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 531131075 XQWINLQXNPUVHA-UHFFFAOYSA-N 414.512 0.837 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 532041200 LAMTYEBIRDAXFO-AWEZNQCLSA-N 401.442 0.791 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCc3ccc(S(N)(=O)=O)cc32)CC1 538095016 ZPQQEODTJFLWMJ-IBGZPJMESA-N 419.551 0.779 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 540368062 KYHMZUJBHNZNBH-SFHVURJKSA-N 416.522 0.633 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 541417892 XEFBPIJQEJLKSS-UHFFFAOYSA-N 402.367 0.443 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1C 545471893 UBIUWNPUNIRJPG-UHFFFAOYSA-N 403.464 0.979 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc(S(=O)(=O)N(C)C)c3)no2)C1=O 546489241 UDUCSPZSWYMZKE-UHFFFAOYSA-N 419.419 0.464 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 551812593 WPYWAUNZHRMQFC-UHFFFAOYSA-N 416.459 0.990 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 554364372 AWTADQSRIUGFIO-DLBZAZTESA-N 412.494 0.365 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCn4ccnc4C3)C2=O)cc1 554694430 IOPIPCSJIMZJFJ-IRXDYDNUSA-N 406.446 0.103 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2S(N)(=O)=O)c1 557863350 KJIPNUFIVNSNOB-UHFFFAOYSA-N 409.489 0.728 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)c(F)c1 558453101 QKPSPDXIWIJPRR-UHFFFAOYSA-N 415.469 0.327 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 561453272 SXHNYHIDHBBVRM-QGZVFWFLSA-N 400.479 0.765 30 20 HCED CCO[C@H]1C[C@H](O)C12CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 562149117 GTRLJIDUSDVWFK-IRXDYDNUSA-N 407.492 0.615 30 20 HCED CNC(=O)c1cccc(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 564762206 XJDGYMXDNVXUBF-UHFFFAOYSA-N 417.429 0.796 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCn3cnnc3C2)CC1 565674353 IJRGHBDGFSOLMQ-UHFFFAOYSA-N 408.422 0.562 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)CC1 568434384 XFRDCYKXELRVIJ-IEBWSBKVSA-N 400.479 0.079 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1=O 571546347 UOUSRVQYVUBHNX-INIZCTEOSA-N 407.492 0.093 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 576314861 HWEOKQZIFXCRIW-LCUHEZEJSA-N 409.527 0.470 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCN3CCCC3=O)C2=O)cc1 576414852 SHFUZEXWYGCRPH-KRWDZBQOSA-N 411.462 0.299 30 20 HCED Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)cn1 577446128 FUIPLDGGEUJXKV-UHFFFAOYSA-N 419.449 0.155 30 20 HCED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 582033662 NPKWATWNZSKCKM-UHFFFAOYSA-N 424.527 0.394 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@@H]1CN(C)CCO1 589138348 BOSLXXNDIVBXPU-KDOFPFPSSA-N 419.913 0.696 30 20 HCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 604269794 CGDYVZGYRLBYCD-UHFFFAOYSA-N 418.544 0.396 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)c1 604546421 OHIWRFISOVTYSM-UHFFFAOYSA-N 401.448 0.328 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)n2)cc1 610531275 UPIZMZHEARCNIG-SFHVURJKSA-N 423.477 0.460 30 20 HCED COCCN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 611360354 XGGBZTJRMHLFSQ-QGZVFWFLSA-N 421.523 0.767 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 615516186 UUKYCPYITLRHBJ-UHFFFAOYSA-N 403.420 0.349 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 672357353 IEMXIYWRISJORD-UHFFFAOYSA-N 422.551 0.855 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCOc3cc(OC)ccc32)CC1 672859151 FHIQBOFNVHKWBE-KRWDZBQOSA-N 416.478 0.081 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CC1 727763335 UOCFSDHAEZLQGE-AWEZNQCLSA-N 413.521 0.541 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 728403974 CVYQJEBZLYMEPX-UHFFFAOYSA-N 406.508 0.433 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 728589528 GHFOWHRVLYXWDL-UHFFFAOYSA-N 419.425 0.683 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nc(N)nc(N)n1 730028520 CGLWEOCSHDNKJD-LJQANCHMSA-N 409.406 0.244 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)c1 731124845 OMKNPUVEJKVQFW-UHFFFAOYSA-N 400.479 0.744 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)CN2CCN(CC)C(=O)C2=O)ccc1OC 733278485 WFVOVOVXEQIZAA-HNNXBMFYSA-N 402.451 0.683 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(N)(=O)=O 737097547 OOWSICHLMQFKBD-UHFFFAOYSA-N 402.436 0.076 30 20 HCED Cn1ccc(N2CCC[C@@H](OC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)n1 741829421 DWWUDVDZZNXAAZ-OAHLLOKOSA-N 417.447 0.309 30 20 HCED C#CCN(CC)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 746456825 MDPSCIQTGQYHHS-UHFFFAOYSA-N 413.478 0.514 30 20 HCED C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCC2 746834534 HBTFMRZEVYHUBD-GFCCVEGCSA-N 402.480 0.920 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 747994158 ZGHYSEIHDKWSAB-UHFFFAOYSA-N 400.435 0.580 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(=O)N(C)C 753787722 BDKNZBXGGCTKAK-ZDUSSCGKSA-N 415.519 0.333 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C1 757595875 UNIIGMWCUUTPAP-UWVGGRQHSA-N 400.482 0.884 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c1 757950986 CUDPLYPKRCEQKQ-PKOBYXMFSA-N 402.472 0.813 30 20 HCED COC(=O)C1=NOC2(CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 771459526 XKMBNZNSZWKPCY-UHFFFAOYSA-N 420.447 0.036 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)[C@@H]1CCCO1 773807491 YAZFGRUDQKBAIT-IRXDYDNUSA-N 405.476 0.705 30 20 HCED C#C[C@H](NCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@H]1CCCO1 775789005 AIJQAMLEUFGVRS-SQGPQFPESA-N 413.474 0.268 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCOCC1 776501309 SMJYNZZZJBCSAT-HNNXBMFYSA-N 422.507 0.259 30 20 HCED CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2ccccc2CC#N)c(=O)n(C)c1=O 777167049 JLDVNBNKLTUISG-UHFFFAOYSA-N 412.446 0.820 30 20 HCED COc1ccc(C[C@H](C)C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1OC 781454333 MTUMCAPIVHKQBA-DZGCQCFKSA-N 408.476 0.848 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)[C@H]1CCCO1 782126250 WCWNTBXAAJRRNK-UYAOXDASSA-N 412.490 0.586 30 20 HCED Cc1nccn1-c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 782908059 XSSRXDFPMAEGHB-UHFFFAOYSA-N 411.466 0.589 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)Nc1ccccc1C#N 785661374 NJIQXLCKULXHAB-DOTOQJQBSA-N 414.462 0.609 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1 793046860 OWRSSLCJHBIZJQ-UHFFFAOYSA-N 408.414 0.833 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 803378660 UHAFWSOEHFZHTA-UHFFFAOYSA-N 413.452 0.088 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCCNc2ncccc2C#N)CC1 806535869 ZMMJULAKZMQFDQ-UHFFFAOYSA-N 423.495 0.517 30 20 HCED C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H](C)C(=O)Nc1ncccc1O 808143455 XMRYMWPIPOJPDP-XXCOKPDCSA-N 401.423 0.783 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1)[C@H]1CCCO1 809307198 AIBJTIAIRUZQJY-ZWKOTPCHSA-N 401.463 0.914 30 20 HCED C#CCN(C)c1cnc(-c2noc([C@H]3CC(=O)N(CCN4CCOCC4)C3)n2)cn1 813340272 YZBQSUFLOYORPM-HNNXBMFYSA-N 411.466 0.244 30 20 HCED CC(=NNc1ncnc2[nH]cnc12)c1ccc(S(=O)(=O)N2CCNCC2)cc1 917556213 WSRREDKYIJPGDR-UHFFFAOYSA-N 400.468 0.783 30 20 HCED C[C@H]1CN(c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)CCO1 1116044724 KKNAEAJEIMDAQJ-JGWKNBOWSA-N 414.466 0.632 30 20 HCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccco2)C1 1302479649 OCFANSLLSFAHBZ-MRXNPFEDSA-N 420.495 0.992 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1302586055 YYQSNKOULMWTCD-SFHVURJKSA-N 401.442 0.473 30 20 HCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)cc1 1504314131 OTIOZIFELZBKGF-INIZCTEOSA-N 400.439 0.683 30 20 HCED CN1CCN(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1517423841 XVEUSODTDUMVRU-IRXDYDNUSA-N 403.531 0.537 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)cc1 1631256893 XWMRMSQACAAKDF-IAGOWNOFSA-N 405.476 0.823 30 20 HCED CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@](O)(CC#N)C1 1646413258 MOVGMAXWIOOSPT-QGZVFWFLSA-N 400.522 0.994 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1 1668816934 OLQQUJNBDKFEJJ-ZDUSSCGKSA-N 403.468 0.840 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1n[nH]c(C)n1 1694734815 JXMVJHKALVVACE-UHFFFAOYSA-N 409.502 0.750 30 20 HCED CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1696577901 OJQTZHWILIGRFO-AWEZNQCLSA-N 412.454 0.523 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1706075292 LULBZOSUSGKHOW-OLZOCXBDSA-N 404.500 0.362 30 20 HCED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1747539278 PPVKAOHZMYRPTQ-MRXNPFEDSA-N 408.466 0.461 30 20 HCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760365380 WKZPNUQFEYMKSI-ZDUSSCGKSA-N 416.935 0.737 30 20 HCED CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1770466317 TXBUBZAZAOOORF-GJZGRUSLSA-N 419.555 0.785 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3n[nH]cc3c2)C1 1777864117 RRTITLVWTZNODA-DYESRHJHSA-N 410.430 0.778 30 20 HCED O=C1COc2ccc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2N1 1778572801 WZZZZUKMMXMOEW-JOCHJYFZSA-N 409.442 0.874 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060575 GUTRAITURHJUKU-QFIPXVFZSA-N 419.522 0.430 30 20 HCED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)co1 1779101662 SKAKYRWPUNKHJL-CYGOOPLXSA-N 406.439 0.956 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1779109478 NYNAMCUFELGWDS-PPGLHRCHSA-N 422.526 0.831 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)NCC)C1 1779315429 OHVGTUZKJHAHTM-ZGPJWRFFSA-N 424.542 0.799 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1781269886 SNHLQKHFRFOACR-LJQANCHMSA-N 420.422 0.876 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc[nH]n2)C1 1781563689 FMQKYFOTKZGTLK-DYESRHJHSA-N 416.526 0.748 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)cc1 1781790575 WTIBWDXRZGASPW-NRFANRHFSA-N 423.477 0.529 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1782201317 MFHBDAUTKUCEDJ-AKCHCHLHSA-N 411.499 0.920 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(C)CC3)[C@H]2C1 1783600012 FIRIUMVXVOPAQM-FHWLQOOXSA-N 421.538 0.817 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1783854887 LAZHAJSMSDVZBQ-MSQSPTIYSA-N 420.506 0.834 30 20 HCED CCOC(=O)N(CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1)Cc1ccco1 1784301556 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20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1841054120 NVOQWCZCDOCTLB-SREVYHEPSA-N 413.478 0.196 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542436 SJWPXNMYKYZRMG-MRXNPFEDSA-N 405.495 0.879 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1841604014 PNSBRYGGDQHVJU-OAHLLOKOSA-N 401.529 0.500 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)CC#N)C2)C1 1842622698 NZASZWWXNWWODU-GJZGRUSLSA-N 406.483 0.721 30 20 HCED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1 1843417730 PVKHHDPUIZMMDF-VOTSOKGWSA-N 404.492 0.962 30 20 HCED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844266904 OXVWAPUXDKBIED-XYHOIZSOSA-N 411.528 0.203 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673717 VCJPOUOUQYYYBS-OAHLLOKOSA-N 411.462 0.480 30 20 HCED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 26373298 TZDCUJMGYARVMF-ZDUSSCGKSA-N 410.452 0.048 30 20 HCED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCN(c2ccccc2C#N)CC1 52801085 PKAKFOISHRTNNV-CQSZACIVSA-N 410.478 0.321 30 20 HCED COC(=O)[C@@H]1CCO[C@H]1C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 428730064 IYBGISGTKVUWTR-DYXWJJEUSA-N 420.554 0.969 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](OCCO)C3)CC2)cc1 434643351 BFJFRZSYEOMREH-SFHVURJKSA-N 421.519 0.959 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 437037663 CJCIDACZFHHRHW-RHSMWYFYSA-N 407.492 0.581 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 437747183 OYMNMCVWRCWMIV-ZIAGYGMSSA-N 404.471 0.664 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1=O 440272571 NOECZLBHSZPBJG-INIZCTEOSA-N 409.450 0.859 30 20 HCED CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)Nc1ccn(CCC#N)n1 441075090 AIJFCRWHLHKFLN-UHFFFAOYSA-N 409.494 1.016 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCOC1 441954197 GIRPNUUWSBDOPQ-ZDUSSCGKSA-N 413.474 0.867 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 443121469 RMFAXFIAZVMXNI-UHFFFAOYSA-N 408.386 0.870 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCSC 443684570 TTXYTODLGYWXLR-UHFFFAOYSA-N 400.485 0.543 30 20 HCED Cc1nc(-c2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2)n[nH]1 446532342 QDEJLIKUEFQYBD-UHFFFAOYSA-N 411.466 0.793 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 462780088 YNKDQZGGDHQGAI-AWEZNQCLSA-N 416.434 0.897 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 473279106 SQSWKGJYXCXDIS-HNNXBMFYSA-N 411.466 0.871 30 20 HCED Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)n1 479293099 YOLBQWBLOPGVCM-UHFFFAOYSA-N 407.438 0.749 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCN2CCCC2)CC1 479905110 WOWHJYNYOOVRFW-QGZVFWFLSA-N 419.551 0.465 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(S(C)(=O)=O)CC1 481933316 GTXUYRUSRNSCAD-GRTSSRMGSA-N 413.521 0.697 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482810214 PFOZPGKFHGXUCX-OCCSQVGLSA-N 418.479 0.094 30 20 HCED COC(=O)[C@@H](O)CNC(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 489979836 PTYDXJHYTNCZNS-AWEZNQCLSA-N 417.378 0.644 30 20 HCED COCCc1cc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n(C)n1 490352322 HOMRZLMJKYQWMZ-UHFFFAOYSA-N 414.441 0.907 30 20 HCED N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 495400673 DOIFOVJKNURJBG-HZPDHXFCSA-N 401.471 0.216 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 507505015 QEZDCLLSSHYGJX-UHFFFAOYSA-N 406.489 0.790 30 20 HCED CN(C)CCc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 515333114 ZKPHYDKUVHDWGR-UHFFFAOYSA-N 411.510 0.675 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 516517282 LHAMXRZQMKPXGF-AWEZNQCLSA-N 419.449 0.596 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1S(N)(=O)=O 518830297 WHDWIJAUYVAFAC-UHFFFAOYSA-N 406.395 0.608 30 20 HCED Cc1nccn1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522878382 SNXAFRXULCPZDD-UHFFFAOYSA-N 402.480 0.779 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)nc1 524234342 JLGCRUGEEGUCGI-UHFFFAOYSA-N 424.486 0.065 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 527339774 DRRFAJANFAQIKD-UHFFFAOYSA-N 402.386 0.819 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 531710559 YHGYQWBIBYKZPW-GOEBONIOSA-N 423.491 0.796 30 20 HCED N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 537021003 YGBUERARSBFUNM-ZDUSSCGKSA-N 417.534 0.337 30 20 HCED COC(=O)C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 538389031 QHHUONIZJSUGLC-GOSISDBHSA-N 418.469 0.534 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)cc1 540877604 BCKSLQGPBPFETM-HNNXBMFYSA-N 409.508 0.860 30 20 HCED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542999963 PLTXGLWAZUFQJQ-UHFFFAOYSA-N 415.381 0.348 30 20 HCED C=CCNC(=O)c1cccc(-c2noc(Cn3c(=O)c4c(ncn4C)n(C)c3=O)n2)c1 544402558 QCEJPFFWILAGKI-UHFFFAOYSA-N 421.417 0.448 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 544439919 FEXGFJFHHFXBSH-CZUORRHYSA-N 407.902 0.884 30 20 HCED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 556138324 KWWNRULUSMPODC-VIFPVBQESA-N 400.254 0.905 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NCc2cnc3c(C#N)cnn3c2)c1 560904749 VGDRCJUFUUIQKY-GFCCVEGCSA-N 413.463 0.626 30 20 HCED CN(C)CCOC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 562120653 TXBYLNPAZXCWGN-UHFFFAOYSA-N 411.466 0.647 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 564647275 XCNFMBBDMIXRLF-UHFFFAOYSA-N 417.477 0.956 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C#N)s2)s1 571860679 DPEMEUKHHWKICS-UHFFFAOYSA-N 402.504 0.810 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 580596385 VQEUBSOPWMLGAT-UHFFFAOYSA-N 401.510 0.372 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC2(CCOCC2)O1 581697243 YIDGBBWPVVLGNO-CQSZACIVSA-N 410.434 0.874 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)nc1 587653052 BXJBFHFHRQZDPG-UHFFFAOYSA-N 412.494 0.019 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](Cn1cccn1)c1ccccc1 588231029 VZUFJRSFZUSQCV-SFHVURJKSA-N 420.477 1.009 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@H]1CN(C)CCO1 589138350 BOSLXXNDIVBXPU-RDTXWAMCSA-N 419.913 0.696 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)c1C#N 589438596 GBQWSOCIYODSOX-UHFFFAOYSA-N 416.438 0.849 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603796733 MNSHLJKPQKGISE-UHFFFAOYSA-N 416.459 0.494 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 608911008 CLTNSUITRIUGGB-UHFFFAOYSA-N 404.879 0.076 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 611373067 ASYRQYFQKFHCTF-RTBURBONSA-N 404.559 0.093 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)c(F)c1 726299825 KHDINPDVAIXEKQ-UHFFFAOYSA-N 420.408 0.960 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 730395570 GQHKZBYZVQMOHA-GOEBONIOSA-N 424.523 0.921 30 20 HCED CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 731182984 ZVPGHABOJWOULH-CQSZACIVSA-N 411.505 0.918 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1=O 742783064 WBNCQAXNMYGMIP-SFHVURJKSA-N 407.475 0.682 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 745011470 HWQIRFASGJVVBI-SWLSCSKDSA-N 409.420 0.429 30 20 HCED CC(C)(C)OC(=O)[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 746633696 ZNNIQFHTXUNGRA-CYBMUJFWSA-N 409.464 0.294 30 20 HCED COc1cccc(C#CCOC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 749038429 QCCINCSOFXTSQL-HNNXBMFYSA-N 404.444 0.755 30 20 HCED CS(=O)(=O)CCOCCNS(=O)(=O)c1cc(Br)cc(C#N)c1 754318688 BRPWOUFCRQLCAZ-UHFFFAOYSA-N 411.299 0.660 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O 754844696 FWSYJWQHOOKOAN-DYVFJYSZSA-N 401.444 0.865 30 20 HCED COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1cccc(C#N)c1 756743558 DRDDISDWLLJLGX-NHYWBVRUSA-N 406.420 0.416 30 20 HCED COc1ccc(COCCCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 760985281 GWLGKELENSXTHT-KRWDZBQOSA-N 408.476 0.958 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 762185749 OBGRRQZKOIFENH-UHFFFAOYSA-N 405.436 0.509 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)n1 763298391 ALAVXPVQDSJDOY-UHFFFAOYSA-N 414.487 0.132 30 20 HCED C#CCCN(CC(F)(F)F)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 768609927 GDEVYJINHOKCLE-UHFFFAOYSA-N 405.354 0.656 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1)[C@@H]1CCCO1 773799607 SZQLXFYTKCWBIV-OALUTQOASA-N 412.490 0.700 30 20 HCED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 775037103 KMDIHYMNAYFIKH-UHFFFAOYSA-N 414.466 0.339 30 20 HCED COCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(N)=O 775988985 RHKPLFLQNJIMRR-OOJJEUIESA-N 411.484 0.511 30 20 HCED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCO1 776136825 CRBFZNLGVXQZHB-UWZWCOGJSA-N 423.470 0.448 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NS(=O)(=O)CCCC#N 777345099 AWLHQJHXNXMEER-ZDUSSCGKSA-N 416.500 0.642 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c1OC(F)F 777946654 GQIIVOVKPNWANA-UHFFFAOYSA-N 418.425 0.934 30 20 HCED Cc1nc([C@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 779694117 SDXAPPCJJKCJSM-CQSZACIVSA-N 419.463 0.797 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 781521949 XVBMROKJOGBTMD-UHFFFAOYSA-N 405.476 0.731 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)COCCNC(=O)c1ccccc1 781602895 MKHDTUVXWVGILR-UHFFFAOYSA-N 405.407 0.949 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccnc1Br 782905437 NGHYWYRPUJJMDG-UHFFFAOYSA-N 410.272 0.857 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(CCO)C2)c1 785207682 VWDPAFHMDXVRHP-SILNSSARSA-N 408.480 0.279 30 20 HCED COc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1[N+](=O)[O-] 787572600 XXQAPEADXRXFNN-NSHDSACASA-N 404.379 0.827 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 793212547 PVBKNHLWKSCRDH-HNNXBMFYSA-N 411.505 0.980 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)Cc1ccncc1 793943340 WXTQNGZEHBCWRE-OAHLLOKOSA-N 402.476 0.620 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)[C@H]1CCCO1 797019558 ISFPDBVIHFYCHJ-HUUCEWRRSA-N 406.464 0.102 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)NS(=O)(=O)c3cccc(-n4cnnn4)c3)n2)c1 798811857 MCJXMKHNWHDARK-UHFFFAOYSA-N 420.414 0.838 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 800661462 WICFOFZUJXEUFG-TZMCWYRMSA-N 411.455 0.610 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)n1 807613747 NRYKMYPXRUHWHA-RCCFBDPRSA-N 402.495 0.811 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCCC#N)CC2)cc1 812616112 WIZJGDXUKGCXLO-UHFFFAOYSA-N 409.464 0.765 30 20 HCED Cc1cc(C(=O)OCc2c(N(C)C)n(C)c(=O)n(C)c2=O)nn1-c1cccc(C#N)c1 814061947 ACGXEYCWPZKUFP-UHFFFAOYSA-N 422.445 0.873 30 20 HCED C/N=C(/NCCc1ccc(OCC(=O)NC2CC2)cc1)NCCN1CCOCC1 849064880 HAMSIZXBLYHJJZ-UHFFFAOYSA-N 403.527 0.384 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)c1cccs1 916486499 VRUPHMIWLCREBM-UHFFFAOYSA-N 407.429 0.286 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)no1 916520916 VPHIZJKKBQBIGP-UHFFFAOYSA-N 412.454 0.628 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 916890668 KKYRUDXSHLVFAT-GFCCVEGCSA-N 408.208 0.517 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc(OC)cc2)cc1 918326790 WCYONYSGXCLPAD-UHFFFAOYSA-N 415.471 0.767 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](CO)Cc1cccnc1 1156926876 YYCCEJJEMZOXMK-YOEHRIQHSA-N 402.476 0.587 30 20 HCED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)NC)CCOC1 1314085649 QCIZIPQHTYGTGK-CJNGLKHVSA-N 400.505 0.075 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1nc(CC(=O)NC)no1 1339965478 UMGAKBRGBWFLIS-UHFFFAOYSA-N 402.436 0.777 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cnn(C)c1 1360679043 QGURTEWESROPFA-CYBMUJFWSA-N 406.516 0.800 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1505323161 VQGBQPRYEHYBIH-RDJZCZTQSA-N 412.450 0.423 30 20 HCED CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)Cn1cc(C#N)c(O)nc1=O 1557061412 UBHASQNLWMFFIQ-QZTJIDSGSA-N 411.462 0.474 30 20 HCED Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)c2cnn(C)c21 1611244500 JOCGCCXUMANINS-FZMZJTMJSA-N 400.439 0.761 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Cc2nncn2C)CC1 1645033551 MEHADADYCJJRHV-CQSZACIVSA-N 416.507 0.835 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 1654662443 SAJZYEWQKXNEIP-UHFFFAOYSA-N 418.523 0.373 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CCO[C@H](C#N)C1 1710974273 QWBCGGIFKIMWBK-MSOLQXFVSA-N 415.542 0.902 30 20 HCED CC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(S(C)(=O)=O)CC2)COC1 1724039212 DRBJJCZOJHFTLT-UHFFFAOYSA-N 416.507 0.935 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@@H]2C1 1740735960 CEVRRVNHAPKELD-ZDUSSCGKSA-N 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KPZRSUXIXCOQDC-SNVBAGLBSA-N 409.240 0.570 30 20 HCED CN/C(=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)NC1CC1 305766821 GSASSFOLEGKSCK-UHFFFAOYSA-N 404.514 0.118 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 426953239 GRFPWPRMRIMRNW-PBHICJAKSA-N 424.461 1.212 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C(=O)OC)C2)cc1 435287705 AMCQNPVLRGQCHS-DZGCQCFKSA-N 423.491 0.890 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 437050106 KIEZHSFJFYFPTG-YOEHRIQHSA-N 422.507 0.902 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 437509049 SMOSOEURCVGOED-FZKQIMNGSA-N 401.467 1.088 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 443742135 GLJCOZHYTGCWBR-KBPBESRZSA-N 403.468 0.406 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)c(Cl)c1 444138552 FZZRJROSCCEDOB-AWEZNQCLSA-N 412.899 0.857 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4ncccn4)c3)CC2)cc1 444496368 IZUZGBWPBYLQQL-UHFFFAOYSA-N 416.445 0.817 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCCSCc2ccccc2C#N)n1 444512929 XEKBUYOCYQWXKA-UHFFFAOYSA-N 414.491 0.831 30 20 HCED COc1cc(CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)c([N+](=O)[O-])cc1OC 444596891 QITOXPDYWRFADN-UHFFFAOYSA-N 416.394 1.020 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)O1 460595936 FGNBZIFMBGWTLT-GASCZTMLSA-N 411.466 0.693 30 20 HCED CC[C@@H](NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@H](O)C(F)(F)F 460721375 WKUDCFFIFBWTIW-YPMHNXCESA-N 410.356 1.204 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1C#N 462447541 WREGBNFEEDAQBW-CYBMUJFWSA-N 419.912 0.526 30 20 HCED CC(C)(CCS(C)(=O)=O)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 464353613 GRGNXKYKYLESQS-UHFFFAOYSA-N 401.510 0.822 30 20 HCED COCCc1noc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 468194580 HUVIAOZYBYWCSY-UHFFFAOYSA-N 407.452 0.409 30 20 HCED Cn1cc([C@@H](CNC(=O)c2ccnc(C#N)c2)NC(=O)c2ccnc(C#N)c2)cn1 476417115 JDOFUTNBIFYFFS-GOSISDBHSA-N 400.402 0.855 30 20 HCED CCn1cc(CN(CCO)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 477400939 DKFAAIZOFABNPZ-UHFFFAOYSA-N 405.480 0.648 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(OCCN(C)C)CC1 482178129 OBMKCTIXFGYWIO-OAHLLOKOSA-N 408.524 0.794 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCC(=O)NCC(F)F)n1 485340456 WIMVQTJOENNRAO-UHFFFAOYSA-N 410.768 0.833 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486492177 WSTFCGYTJYDUDB-INIZCTEOSA-N 407.496 0.286 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1C1CC1 487418021 WSCRLHPYOOPQHW-UHFFFAOYSA-N 423.416 0.928 30 20 HCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488598676 IJIIECZEBYVJIZ-QGZVFWFLSA-N 419.441 0.821 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c(Cl)c1 490464168 NBVXMEQRSSHJGR-UHFFFAOYSA-N 407.902 0.656 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](CN4CCOCC4)C3)n2)cc1 491213720 OANKLBWWFZDYLI-SFHVURJKSA-N 423.477 0.317 30 20 HCED CN(CC(=O)NCCc1nnc2n1CCCCC2)S(=O)(=O)c1ccc(C#N)cc1 498190479 CHTPKCVOYREJSB-UHFFFAOYSA-N 416.507 0.856 30 20 HCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C)c1=O 500545638 RXCAAEUUGPJEBT-UHFFFAOYSA-N 416.459 0.781 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 502518146 IVODZQHCFBSUDB-UHFFFAOYSA-N 421.461 0.913 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc(O)nc3)CC2)cc1 507932140 ODMNCGWJMPVNAL-UHFFFAOYSA-N 400.460 0.891 30 20 HCED C=CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508811151 RQKJOAWWSROGKB-OAHLLOKOSA-N 408.484 0.956 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)OC)C1 508832442 KMEZBQSUJBCSDX-CQSZACIVSA-N 420.495 0.802 30 20 HCED C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508998781 DXDLFXNTDVCMKA-UHFFFAOYSA-N 401.533 0.877 30 20 HCED CCN(CCC#N)S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 510621006 DDWXVTYQKUPADZ-UHFFFAOYSA-N 402.489 0.458 30 20 HCED CCCn1c(N)c(C(=O)CN2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513978574 OSDIYUUTVCCUDA-QKVFXAPYSA-N 422.445 0.469 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)NC2(C#N)CCOCC2)cc1OCC 522343385 SALDPWYLZBBETC-UHFFFAOYSA-N 411.480 0.951 30 20 HCED Cc1nc(-c2cccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2)n[nH]1 526098445 SJIOPQXMUGQROV-UHFFFAOYSA-N 407.438 0.987 30 20 HCED CN(CCCO)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 534727390 JJNVVNRMISCPIK-UHFFFAOYSA-N 408.524 0.797 30 20 HCED COc1ccc(C[C@@H](CO)CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1O 536967421 WNVQUUBYYQASMK-CQSZACIVSA-N 415.450 0.956 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 539223514 GGZXBASAWBZZFI-FMKPAKJESA-N 401.471 0.204 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)n1 546910743 RCADVFCRQANBEO-UHFFFAOYSA-N 403.406 0.216 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc21 551066243 MCMSMVWGQMYUQE-HNNXBMFYSA-N 420.429 0.762 30 20 HCED COCCCN(CCOC)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 558057737 UHKRCAYIFQEWPU-SFHVURJKSA-N 416.478 0.681 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 558520702 SIBCRTYSESFMES-LLVKDONJSA-N 421.339 0.357 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)c1 559636829 XWNRVMSAZZGRGU-UHFFFAOYSA-N 405.414 0.643 30 20 HCED Cn1cc(CCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 561146020 DPHGEELQFCHKIY-GOSISDBHSA-N 408.462 0.258 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 571953130 RJPDTXFQZFOTOK-HOJAQTOUSA-N 401.507 0.967 30 20 HCED C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 574466991 CRUWNGAFRAUEOA-HNNXBMFYSA-N 424.461 0.439 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 576204314 NVRRANSQSNFQBP-MRXNPFEDSA-N 401.467 0.564 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1=O 577997040 XEYVDBKKKTWHBC-RBUKOAKNSA-N 414.506 0.249 30 20 HCED N#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 609338026 NHRJCMKDJLQGGA-UHFFFAOYSA-N 421.523 0.495 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C(C2CC2)C2CC2)c1=O 609704007 VUHAKPYVBFJCNP-UHFFFAOYSA-N 409.515 0.786 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCOc2ccc(OC)cc2[N+](=O)[O-])c1=O 610217208 GGGSKGQOQYZLBR-UHFFFAOYSA-N 404.379 0.540 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 610636011 VZFBGUMKKRJYLC-BTYIYWSLSA-N 423.477 0.987 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 611016597 FHSJKPOOTRTIPV-HNNXBMFYSA-N 407.452 0.569 30 20 HCED CCOC(=O)c1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 613562249 MYSOFTGJTDLGCA-SECBINFHSA-N 409.449 0.892 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCO[C@H](C)C1 725718995 BARDERUMQJFTRT-WBVHZDCISA-N 422.551 0.977 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NCC=C)c2)CC1 729257453 FQZFRJUMZQETRX-UHFFFAOYSA-N 418.519 0.048 30 20 HCED CCNC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732416717 PAQJNRWQOPGSBO-ZCXUNETKSA-N 401.423 0.849 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n[nH]1 737300239 VJCKRFUOXJTBPD-XQNSMLJCSA-N 418.479 0.786 30 20 HCED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(=O)(=O)c1cccnc1 754386599 RWOPSQSXQDBNRT-CQSZACIVSA-N 423.495 0.674 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754610444 AKCPQQKNRDSNGZ-XJKSGUPXSA-N 400.435 0.770 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 755041156 LGKXLJWZDRIACD-CYBMUJFWSA-N 416.525 0.082 30 20 HCED C=CCN(CC(=O)OCC)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 757966529 QJLHOHSJRSIPNK-UHFFFAOYSA-N 401.510 0.944 30 20 HCED C#CCN1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 760197301 YRZQGSWRQHSACC-UHFFFAOYSA-N 420.535 0.224 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 765491287 VXPPCKYXACOCRC-VLUKHXRESA-N 408.455 0.655 30 20 HCED CCN(CCO)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 769227631 GNJCYBYHXJYIIR-HEHNFIMWSA-N 411.528 0.935 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 770834704 QAGUSRPBOKQHIK-YJLNNSPDSA-N 417.487 0.826 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CCCO1 773789274 LHGMYAKWHXTEAC-CVEARBPZSA-N 418.475 0.393 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](CC(=O)O)C1 776640638 BNXRGIAGNJPOSL-ZFWWWQNUSA-N 423.491 0.986 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn1 780179324 WQRUMXAWUMAETF-INIZCTEOSA-N 400.457 0.503 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780933266 IXCIMFLZRXRHHZ-SJKOYZFVSA-N 416.459 0.643 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 783298819 WUDKSQLONGJJLR-ZDUSSCGKSA-N 410.456 0.154 30 20 HCED C=CCN(CC=C)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 785393963 BGHNYNIPIFGBPC-UHFFFAOYSA-N 424.475 0.870 30 20 HCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnnn1C 787592886 HPWAKRRIQXVMAG-GFCCVEGCSA-N 404.452 0.787 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)NC)[C@H]1CCCO1 788065902 GHACBAZTVFYJJC-XYJFISCASA-N 401.463 0.676 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(C(=O)NCC)c2)n1 789787460 KKFZWQPLYFYHRF-UHFFFAOYSA-N 411.462 0.880 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1CCOC 794580871 DTRHKBRYMQEIOW-UHFFFAOYSA-N 423.498 0.299 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2c(C)cnn2C)c1=O 795197163 IHYBLMWMGWVXJI-UHFFFAOYSA-N 418.478 0.980 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCOC 799934246 RGZQCMAGPQZNTR-UHFFFAOYSA-N 419.478 0.733 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 810089232 AJRATKUEIOSUHR-LBPRGKRZSA-N 400.423 0.484 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)CC1 810343800 SUZPOMQDRUWFGW-SJORKVTESA-N 406.527 0.916 30 20 HCED C#CCN(C)c1cnc(-c2noc(CNS(=O)(=O)c3cn(C)c(C)n3)n2)cn1 813340381 FFTRZVBOVYZILO-UHFFFAOYSA-N 402.440 0.116 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 815689010 XSBRSOYHWOZXII-SXIITFKMSA-N 420.491 0.135 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCCN3CCC[C@H](C(N)=O)C3)NC[C@@H]2C1 849086930 HONXJCNBISDEDY-JKSUJKDBSA-N 408.547 0.454 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 849093278 WARLUJGNQNZAFX-UHFFFAOYSA-N 413.519 0.363 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 916893008 VFMXRKZZYNFWOB-CQSZACIVSA-N 412.468 0.164 30 20 HCED N#C[C@@H]1COCCN1CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1191627840 YMNLIJWACFNREP-GOSISDBHSA-N 422.507 0.495 30 20 HCED CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1294856919 JZVBCYBFHZGTCM-OAHLLOKOSA-N 408.528 0.836 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1301960124 VIAXVCMPZMPEQL-CQSZACIVSA-N 404.496 0.876 30 20 HCED COC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1315263960 YIHIMUPHKAKOGE-KGLIPLIRSA-N 412.516 0.576 30 20 HCED 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N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c1 1833512761 MWXUFHMPCFMWAI-KRWDZBQOSA-N 414.466 0.180 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC)CCO2)C1 1834819721 JXAOYCJWKRMFLH-KKSFZXQISA-N 423.510 0.769 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(Cl)nn4)C3)C2)CC1 1835344471 HBHCQDYNHLUDSS-GOSISDBHSA-N 405.842 0.504 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n(C(F)F)n1 1835345339 KQXCDCMLXHVQRX-IBGZPJMESA-N 423.420 0.960 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1835675531 VDVDIUNCQAOQDN-IIBYNOLFSA-N 424.542 0.132 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073470 KHQZWVLIMDLFGN-OAQYLSRUSA-N 411.462 0.954 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c[nH]1 1837443615 MMZOYCCYYKHVAS-DUYDGHCJSA-N 417.510 0.865 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837785681 PRTADTUKQODYJK-BOURKTIISA-N 403.483 0.556 30 20 HCED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1839069280 UYSZMUDFIVHCLO-UTKZUKDTSA-N 404.511 0.478 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)cc1 1839361477 NANXPVBURXSPGW-OAQYLSRUSA-N 409.446 0.860 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1839643693 SBODGRLATABUNJ-FUHIMQAGSA-N 412.531 0.584 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)C2)C1 1839808673 XVFHAXBZFANRNT-QFIPXVFZSA-N 424.457 0.789 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OCC)c(OC)c3)C2)C1 1839810738 OYGMOPDPXSSDRC-JOCHJYFZSA-N 416.474 0.726 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839866570 FGXXHIAPIBMPIJ-IIBYNOLFSA-N 407.511 0.571 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1)C(F)(F)F 1839892595 VYEMRQHZRYOGMI-LAQIPUCWSA-N 420.384 0.681 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@H](C)C#N)c3)C2)C1 1840029605 KQSZQUYIMCHQGS-VWKPWSFCSA-N 401.463 0.764 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1840159446 DPBZXTPJQBYBON-ORAYPTAESA-N 404.492 0.951 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840169422 CNDQWSKYPWLIAR-OAQYLSRUSA-N 423.510 0.771 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1840406860 ONRYRFVIHFHWLK-LAUBAEHRSA-N 415.494 0.903 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncc4F)C3)C2)CCC1 1840813498 CLGXCEBFWSHSAN-HXUWFJFHSA-N 402.426 0.985 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875894 YIUNZIGCKRHPLL-WIFRZSDBSA-N 419.478 0.582 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CC4(CCCN4C(=O)CC#N)C3)[C@H]2C1 1842623533 OCLSEHKIPBPXTE-BZUAXINKSA-N 418.494 0.985 30 20 HCED O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)C#Cc4ccccc4)C3)cc21 1842730714 ZWACKHMEXKCULE-UHFFFAOYSA-N 417.469 0.885 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 1843925836 NBIBPJJNCANVQO-SFHVURJKSA-N 411.458 0.179 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)CN1CCN(C(C)=O)CC1)C2)C(F)(F)F 1846014561 CROVITWNNUWSST-UHFFFAOYSA-N 402.417 0.472 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[C@H](O)CN1 1847939603 CTSJGXBPDSRGLF-QEOTZNIISA-N 422.526 0.380 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCOCC3)CC2)cc1 10453818 KNSNIGMDCPXFBU-UHFFFAOYSA-N 420.491 0.030 30 20 HCED N#Cc1ncn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 14143041 FZHYZEHWYVTJCO-UHFFFAOYSA-N 410.843 0.463 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 26270430 MDRGKAKTJSVYTD-UHFFFAOYSA-N 403.424 0.797 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCS(=O)(=O)NCC2CCC2)CC1 304755566 MVJHUNZEGZTHME-UHFFFAOYSA-N 403.549 0.573 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 437050101 KIEZHSFJFYFPTG-RHSMWYFYSA-N 422.507 0.902 30 20 HCED CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443073183 WAGDWFNUHHENRS-UHFFFAOYSA-N 416.481 0.901 30 20 HCED COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 465397221 UZXHNCLQDYKGKO-ZDUSSCGKSA-N 415.493 0.003 30 20 HCED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)[C@@H]1CCS(=O)(=O)C1 466824765 IZNGDRHBAWQTHC-GFCCVEGCSA-N 402.494 0.458 30 20 HCED N#C[C@@H]1N(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCC[C@@]12CCCCO2 468665178 FXRGFSZPLSOIKZ-DRMAHVMPSA-N 409.508 0.476 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC#Cc3ccccc3)cn2)C[C@H](C)O1 475713798 KSKMHPHLAOSUGB-IRXDYDNUSA-N 423.473 0.625 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 479883438 BIGRRRFNYBWSIN-AWEZNQCLSA-N 412.537 0.734 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 479897819 GHPBRLKHXDMZBW-SFHVURJKSA-N 404.536 0.882 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1Cc1ccon1 480932364 VAYXNZUJTLIOKS-UHFFFAOYSA-N 416.484 0.273 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 485054620 NAPDPZMSIHIXGN-DYESRHJHSA-N 424.461 0.933 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)cc1 486734304 UJQJHPWNVNTSBV-IRXDYDNUSA-N 420.466 0.869 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cs1 488792105 NDJMBOBHCSVXRV-UHFFFAOYSA-N 413.506 0.413 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 490381070 UUDITJXWNZDBQO-INIZCTEOSA-N 413.478 0.197 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)Cc2noc(C)c2C#N)c1 499975751 HJEZLPYDSSDZBN-JTQLQIEISA-N 405.436 0.449 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)OCC)CC2)c1 506643138 RHAZNASTMBWMLX-UHFFFAOYSA-N 409.508 0.862 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 508999409 PPSLGSPCLLZQJC-AWEZNQCLSA-N 400.549 0.621 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 517776348 CLKFAPBAHDNBLY-INIZCTEOSA-N 401.529 0.548 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](NC(N)=O)C2)CC1 534228728 DNEDCWVJYVPOPW-CYBMUJFWSA-N 413.438 0.197 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCN2C(=O)c3ccccc3C2=O)CC1 539236902 WTFHBXBQXGQERK-IBGZPJMESA-N 411.506 0.907 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 540298608 NCPVAPFXZDQITA-SFHVURJKSA-N 415.498 0.804 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 543445925 LZZXZUAOSJBKIW-UHFFFAOYSA-N 404.452 0.367 30 20 HCED CCn1c(=O)oc2cc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)ccc21 548697733 GISYFDGBQZGAGE-UHFFFAOYSA-N 418.435 0.847 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 550902409 ILCTZZMBWQXSGL-CQSZACIVSA-N 424.427 0.602 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CCN1Cc1ccccc1 554266063 VSNUEUVAPFJUQI-IEBWSBKVSA-N 409.490 0.350 30 20 HCED CC[C@H](C)N(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 554305090 GNXFEPFWWYWBFX-INIZCTEOSA-N 408.524 0.484 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 554694685 PKYGFMRZWQEJFM-INIZCTEOSA-N 423.429 0.539 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(CN3CCOCC3)CC2)cc1 557537751 NEDICYATWBYXAB-UHFFFAOYSA-N 406.508 0.407 30 20 HCED CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)c1 562138913 PWLUICZLDHXCGG-UHFFFAOYSA-N 418.479 1.451 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCc2cccc(C(N)=O)c2)n1 568921043 COQKYGVKNJAMOV-UHFFFAOYSA-N 403.402 0.535 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@]2(CCO[C@@H]2C)O1 570860759 CBQZPLPRJHXDEQ-JZKQVHKSSA-N 410.434 0.872 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 572697047 GAUCXXREWDLOMD-UHFFFAOYSA-N 406.489 0.868 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582518576 VPVUCOUWOQIOCN-OAHLLOKOSA-N 402.480 0.355 30 20 HCED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589128952 WQNZCBZKJLAOFD-CXAGYDPISA-N 412.494 0.671 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 589300724 YIZVPHMBBFNJTF-UHFFFAOYSA-N 416.463 0.446 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592992863 LQHCGUGFKGNXKS-UHFFFAOYSA-N 412.450 0.289 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccncc2)C[C@@H]2CCCN2CC)C1=O 597884790 PAQYVPIMYLRZPL-KRWDZBQOSA-N 413.478 0.871 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 603795263 PNLYBVYRGLNTQJ-UHFFFAOYSA-N 419.453 0.960 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)c(NC(C)=O)c2)CC1 604186451 JFRNSJHRIMNFSN-UHFFFAOYSA-N 403.483 0.783 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c(F)c1 610082474 LVAVDEHGGZYPMH-UHFFFAOYSA-N 410.452 0.788 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)cn2)cc1 610610849 YRHBYGXWGGPPLO-OAHLLOKOSA-N 406.402 0.920 30 20 HCED C[C@H]1CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCN1S(C)(=O)=O 611446843 OLILFBQAYQMBOS-AWEZNQCLSA-N 406.512 0.597 30 20 HCED COCCN(C(=O)CN1CC[C@](F)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 615642946 JVSUHEQHAXNQMI-SFHVURJKSA-N 410.450 0.104 30 20 HCED N#C[C@@]1(F)CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 615646314 RCZJHISLXOFRHM-PXNSSMCTSA-N 402.426 0.435 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccsc2C(=O)OC)c1=O 619856146 UWVIXODIAQLTSX-UHFFFAOYSA-N 406.420 0.031 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 645380351 IGYXTVOFOJIAKF-UHFFFAOYSA-N 404.402 0.162 30 20 HCED C#CCN1CCN(CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 725769805 YZBUCHRLHPLNMH-OAQYLSRUSA-N 411.462 0.619 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)c1 726883722 FOLWWDSFDGRWLX-UHFFFAOYSA-N 421.500 0.317 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)CC1 728590205 WTCQWJXKGZOESK-CYBMUJFWSA-N 412.537 0.001 30 20 HCED COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 730071853 BHHVJBJHKWTKGU-SECBINFHSA-N 421.353 0.678 30 20 HCED Cc1ccc(-n2nnc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)cc1 732910821 SPCWWAKGGKCGJM-HNNXBMFYSA-N 401.448 0.464 30 20 HCED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 733161558 YOFZOFJZLURBLA-IAGOWNOFSA-N 405.520 0.876 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CCN1Cc1ccccc1 734077129 GOYZUPBYDUAUMD-SFHVURJKSA-N 416.445 0.837 30 20 HCED C=CC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccncc1 734681429 VNCXSGSBPCAVEO-GOSISDBHSA-N 422.555 0.518 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741218842 RVJFXNAHHNNEEA-GOSISDBHSA-N 405.543 0.348 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CCCF 747131592 UAXOLXZWYZLNMK-ZDUSSCGKSA-N 419.500 0.945 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)CC1 747279685 ZTSUJYCYEHTEPH-UHFFFAOYSA-N 418.519 0.041 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nncn3CC)c2)CC1 747993143 AGAMQPLPNPOSML-UHFFFAOYSA-N 408.462 0.892 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC1 747994019 WSMCMKKEJDFSMP-UHFFFAOYSA-N 421.461 0.602 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 752440633 ZKVFWCJXSCVFJR-CQSZACIVSA-N 422.484 0.650 30 20 HCED CCOCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 753440801 NDKKUKHHYAKQQL-UHFFFAOYSA-N 423.491 0.655 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 753690957 NJEDWXDKQJACFK-UKRRQHHQSA-N 411.505 0.293 30 20 HCED COc1ncc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C(N)=O 762188067 RCUWIMYBSRLZEZ-SNVBAGLBSA-N 417.447 0.645 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)c1 763479070 CGEASKWVJAEZLE-SOKVYYICSA-N 420.516 0.277 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 769977491 PVWLXQVGIZHFQB-GFCCVEGCSA-N 416.463 0.776 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1 770460096 UBKCIFFCXVLFCK-HNNXBMFYSA-N 400.416 0.824 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CCC1 771075520 BBMBHAPMMSRJIK-UHFFFAOYSA-N 401.466 0.818 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cc[nH]n1 772394682 AIJOWEXNVJHWLZ-IRXDYDNUSA-N 421.498 0.578 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCNC1=O 774179170 RQOKIDIIYUEMNE-HIFRSBDPSA-N 406.508 0.926 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)OCCn1ncc(C#N)c1N 777309644 CLLCTKQIOHGHFN-CQSZACIVSA-N 420.470 0.786 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)c1 778626629 KCMAKQJJQVFWJI-UHFFFAOYSA-N 402.476 0.967 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@@H](CO)C1 787471560 RCZBPJDSLWRFJS-LZWOXQAQSA-N 409.508 0.892 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789117047 IXKJGQNEKPYSBW-BKTGTZMESA-N 422.482 0.588 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 792320502 DENQJTSXIZOJBI-SIFCLUCFSA-N 404.467 0.783 30 20 HCED COc1nccnc1C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 792881964 AJSXERULULQWQK-UHFFFAOYSA-N 422.423 0.860 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2cc(C#N)ccc2F)(C(N)=O)C1 798221986 IOBTVHAVMDKCGM-UHFFFAOYSA-N 412.443 0.592 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 813983290 OPSBLOGGXKNCPT-UHFFFAOYSA-N 417.403 0.817 30 20 HCED N#CCc1ccccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 849211237 SFNXTOFKWJEAQW-UHFFFAOYSA-N 401.444 0.916 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nnc3n2CCC3)C1 917122793 SJUAPGJZRROTSF-ZDUSSCGKSA-N 414.491 0.669 30 20 HCED O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918676970 RHBJKVZNFDZVHX-HNNXBMFYSA-N 416.459 0.626 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919651095 ZKTQVCGSDRRINL-TZMCWYRMSA-N 422.459 0.858 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CC(=O)OCC)CC2)cc1 921076346 RKVKMTNFIAGCHP-UHFFFAOYSA-N 407.492 0.309 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1252391987 VFMLFBBZIPZNEP-ZCXUNETKSA-N 410.434 0.989 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1315000939 LUZAAUQCHFPCHZ-QFIPXVFZSA-N 423.521 0.846 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 1326306035 RAAQSCMAXZATBT-HKUYNNGSSA-N 407.478 0.971 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCN(C(=O)N2CCCC2)CC1 1354429056 PEYISLWLASVOKU-UHFFFAOYSA-N 401.471 0.984 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CN(C(=O)C(C)(C)C)CCO3)CC2)c1C#N 1459032116 IIOFRMZUGVCPJH-MRXNPFEDSA-N 402.499 0.522 30 20 HCED CCN(CCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1515712197 MKMZSGIKMZHNKM-CQSZACIVSA-N 408.532 0.946 30 20 HCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCO2)C1 1519564880 XOHDHJNEPCGTRL-JKSUJKDBSA-N 424.527 0.530 30 20 HCED N#Cc1cn(CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c(=O)nc1O 1540777348 ZFFLZEBOVFEZLW-MRXNPFEDSA-N 417.853 0.664 30 20 HCED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1556454017 POTTWSAQNGUOFB-INIZCTEOSA-N 413.931 0.787 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(F)ncn3)CC2)cc1 1569402746 KPBHXCVCRWYTRU-UHFFFAOYSA-N 404.427 0.114 30 20 HCED COC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)OC 1619607381 NSBRTNUZIJIVQS-KGLIPLIRSA-N 420.495 0.660 30 20 HCED Cc1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc(N2CCCC2)n1 1654627901 MCIZUYJYWMQWCE-UHFFFAOYSA-N 414.491 0.852 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)CCO1 1712884840 UEHLULGLOOEPHQ-JKSUJKDBSA-N 404.471 0.497 30 20 HCED C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1726751849 JABJQIPVNRTWIW-CRAIPNDOSA-N 409.494 0.849 30 20 HCED CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)no1 1727463302 SZNHCCZREXVAFA-UHFFFAOYSA-N 422.449 0.853 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCc1cnn(C)c1 1741919502 UFYQLDIXHWBWGH-AWEZNQCLSA-N 420.543 0.995 30 20 HCED C[S@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1771369620 PCSFFKHJGJXSFU-YBKRRLQSSA-N 415.479 0.565 30 20 HCED Cc1oc2cc(O)ccc2c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1777885654 PDINXCVVEJBKRF-NRFANRHFSA-N 412.398 0.978 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778411621 WFDJXDKHRYAYFA-YOXWTLATSA-N 424.461 0.260 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891287 DXMDSXMNZYXEKW-OAHLLOKOSA-N 410.414 0.841 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1778971910 OGCMSOKKTYOKNE-UTKZUKDTSA-N 402.495 0.846 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)Cc3ccccc3)CCO2)C1 1778974397 QBALKEZXYMLXOJ-MSYCTHLASA-N 416.518 0.993 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1779339335 IMSZABMPILPKBD-MPWIWIEXSA-N 421.538 0.600 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)c1Cl 1780097127 LGWZPFMKTGHLKF-AUUYWEPGSA-N 407.854 0.650 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1780593044 PHOIQOGCUVHFAM-QFIPXVFZSA-N 419.441 0.809 30 20 HCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C[C@@](C)(O)CC(=O)O)C1 1782209286 SHZKWGVUCLYJHG-MAODMQOUSA-N 408.495 0.920 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1783179461 RFQRJFYGSAQUQG-YEJXKQKISA-N 424.461 0.403 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(C(F)(F)F)c1)CCO2 1783567290 TVUKSSZGXFKGIO-KRWDZBQOSA-N 411.336 0.632 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)CCCn3ccnc3)C2)C1 1784399109 OWUDQRWNQZAHNG-VQYZLWMVSA-N 416.526 0.965 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c(Cl)c1 1785630703 YFVDRJMMMQQHKT-SFHVURJKSA-N 405.842 0.323 30 20 HCED Cc1nccn1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786860192 ZATRBLWHRUBTOZ-BZSNNMDCSA-N 416.526 0.453 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787435831 VWUDUAHQLXWJIV-UHXUCMFUSA-N 410.496 0.436 30 20 HCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCN(S(C)(=O)=O)CC3)[C@H]2C1 1788110978 DBBQJAKYPWPEAE-ULQDDVLXSA-N 413.540 0.214 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](OC(C)=O)C(C)C)[C@H]2C1 1788476991 OLKQPWVDEOCSSQ-XFUTXVRSSA-N 408.495 0.592 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)cc1 1788553207 DKOFSBOZJKAALO-LNLFQRSKSA-N 423.473 0.346 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCCN3C)C[C@@H]21 1789890368 PUCTWMKPCIJVSJ-OKYOBFRVSA-N 421.538 0.960 30 20 HCED COc1cc(F)ccc1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1792305696 PBFRACDUHXZWDJ-ZVZYQTTQSA-N 418.421 0.445 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1793383524 AALLGDKCXUFCFW-DLTLXFJOSA-N 403.508 0.887 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(=O)n1C 1794585908 SLQNPHMOQFHELA-CXHZTBPHSA-N 403.479 0.162 30 20 HCED C[C@H]1Oc2ccc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)cc2NC1=O 1795419830 FNMAGGMCDIWOFJ-NFWAQSGPSA-N 412.446 0.913 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cnccn1)C2 1795602356 KKHZQLNHIGWNFU-XLUKKVHWSA-N 412.494 0.361 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796386219 ZJLZRRFEAPITSS-YIYPIFLZSA-N 420.491 0.128 30 20 HCED Cn1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)c1Cl 1798346860 RUPJMEPKBSSHOR-JJLQDPRZSA-N 402.842 0.790 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800389884 LBKXWTOSIPHXEN-XLWJZTARSA-N 404.554 0.108 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1800544203 QZIUHPXSZIUUSS-SCAQPMJSSA-N 401.454 0.510 30 20 HCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(Cl)cc3nn[nH]c13)C2 1801988869 RRQPJBBNWQILAB-ZSBIGDGJSA-N 401.810 0.951 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1c1cccnc1 1802479687 BJENEVRLEXOISA-XSRQRWQSSA-N 409.450 0.378 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1802837999 ONCUEAFXIULRSR-WYTQMRBSSA-N 415.494 0.133 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1c1cccnc1 1803554016 YRMZDJDRAHFGCK-LTDCPUDJSA-N 400.479 0.650 30 20 HCED CC(C)(C)n1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nn1 1811555554 KSCXPGPHDJIERG-HNAYVOBHSA-N 424.461 0.836 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)Cc2ccc(O)cn2)[C@H]1c1cccnc1 1813499673 QJMZOASHHAJCEP-YCRPNKLZSA-N 408.414 0.519 30 20 HCED N=C(N)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1814821466 QSGGCPPLTCDVSB-JYQBEENSSA-N 406.516 0.010 30 20 HCED CC(C)[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)[nH]n1 1815241447 CJVRAKQRYVHSGK-MLGOLLRUSA-N 422.511 0.908 30 20 HCED CC(C)[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1815242371 SFFSHBKBFNEWAG-BLLLJJGKSA-N 422.511 0.908 30 20 HCED COC[C@@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CC2)[nH]n1 1819607637 IZJRCFWXQPNBCL-CABCVRRESA-N 402.455 0.857 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829790562 YLBFIXCTTHKWHT-LJQANCHMSA-N 404.492 0.990 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)c3ccco3)CCO2)C1 1829822737 CWRJBZXWHJPBEZ-FVJLSDCUSA-N 422.478 0.343 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)c2ccco2)CCO3)c1 1829825847 MZSBZXZEHLLBOK-PXNSSMCTSA-N 414.418 0.283 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830955667 MTRWBEDPGGLOPR-KKSFZXQISA-N 404.511 0.940 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1831438698 UZFWLAAQAXMPGJ-IERDGZPVSA-N 419.478 0.377 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831483687 NNAZXIGFICFQKF-GGXPGOJBSA-N 402.557 0.804 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3ccnn3)CC2)CC1 1833469375 SEGPYZVTVQGHNG-SJORKVTESA-N 416.526 0.449 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)CC1 1833477158 VMCRVQBETQSUAK-CVEARBPZSA-N 408.543 0.674 30 20 HCED Cn1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cccc1=O 1833869159 FXXRQDXJJCRVCC-FQEVSTJZSA-N 402.451 0.005 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833881132 IFRYRRGHRNMJFM-OXQOHEQNSA-N 403.483 0.654 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CN4CCSCC4)CC3)CC2)CC1 1834599298 PCLRVJHEXFEKGZ-UHFFFAOYSA-N 419.595 0.911 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835188331 SBUWFOIIESDQRI-APWZRJJASA-N 400.541 0.824 30 20 HCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338566 LQPAMSVKWGFUKN-HXUWFJFHSA-N 407.467 0.478 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c4cnccc34)CCO2)C1 1837179928 PUELLMHTPKTWNM-ORAYPTAESA-N 404.492 0.951 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837306135 UJYHCHOHFGRSKR-SIKLNZKXSA-N 421.538 0.543 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837396622 HOOBALDFJFXLNQ-PGRDOPGGSA-N 417.506 0.654 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1837886699 SFQVAGGCBDUTBW-GOSISDBHSA-N 407.511 0.851 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535224 XVCYEMBCLFPPKO-KKSFZXQISA-N 403.479 0.668 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774028 JWPRYCQAHPABHN-GOSISDBHSA-N 421.494 0.378 30 20 HCED Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839314283 ZVTHTNXMWQORRH-HXUWFJFHSA-N 404.394 0.292 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839674083 MMGJDVIJUFJJSY-UWJYYQICSA-N 408.543 0.970 30 20 HCED C/C=C(/C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839825031 HNOVMOYLDLNTCQ-PHQVRNHHSA-N 409.483 0.938 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccoc34)C2)C1 1840044517 KUIYLOAUEKLRHT-OAQYLSRUSA-N 412.398 0.591 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840160621 NJASQKWFLVZIDH-YJYMSZOUSA-N 408.476 0.804 30 20 HCED COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840235872 VCWPKVOTDZXWSF-NRFANRHFSA-N 421.494 0.870 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C[C@@]2(F)Cl)CCO3)c1 1840246040 HDJCEDGOIPIJHI-VHSSKADRSA-N 410.833 0.881 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1840293697 PWUNVGYXYHEHGL-IHFIDZABSA-N 417.550 0.977 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1840369284 KXBIUHPTUSOYKV-HXUWFJFHSA-N 413.434 0.496 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)C)C3)C2)c1 1840713624 NBLCOMMJBMVMRP-HTAPYJJXSA-N 414.506 0.945 30 20 HCED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1841134164 SGFQPKQYLNMFCX-VOTSOKGWSA-N 404.492 0.962 30 20 HCED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1841137669 NKEFKRSQZDXAMC-UHFFFAOYSA-N 419.445 0.938 30 20 HCED O=C(Nc1cccnc1)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844341788 BZOFDIWNNQBMHW-UHFFFAOYSA-N 410.474 0.922 30 20 HCED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1845759916 JXTGRXPRQWYSLU-UHFFFAOYSA-N 415.519 0.868 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)CCO1 410119250 XNECXOUMBZRRGH-STQMWFEESA-N 402.423 0.925 30 20 HCED C[C@@H](NC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCOCC1)c1ccccc1 410127294 LEJXSAMKUZJAJY-SJLPKXTDSA-N 408.524 0.945 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 428233255 YHFHHVRJBJQVRB-UHFFFAOYSA-N 406.489 0.790 30 20 HCED COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 429054041 HDYNTJZTQVJBJP-UHFFFAOYSA-N 414.443 0.887 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 433491858 QUKGVWPZSUKSJH-UHFFFAOYSA-N 415.450 0.028 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 435733328 UZRXLNRKDWZTCC-UHFFFAOYSA-N 416.434 0.423 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 437477737 HARMLFZDGDSVEW-HNAYVOBHSA-N 411.524 0.976 30 20 HCED C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 439396484 MAZAZRTXFNSNTF-GOSISDBHSA-N 424.505 1.485 30 20 HCED Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 440245672 KVMKYOKJEUCFCQ-UHFFFAOYSA-N 410.438 1.195 30 20 HCED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 441355632 PPJLQFUNURYHOU-SFHVURJKSA-N 419.825 0.766 30 20 HCED C[C@H]1CN(CC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@@H](C)O1 444509974 AUDMDWCWVQIJNN-IYBDPMFKSA-N 402.499 1.083 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3Cl)c(=O)n2C)CC1 447267761 RBRKODCPGPMZPF-UHFFFAOYSA-N 422.963 0.829 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 464189696 YTVKIAVFDBDFSC-GFCCVEGCSA-N 416.502 0.741 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478006563 ZZNOVMHAJVNQJU-QGZVFWFLSA-N 422.551 0.491 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@](C)(C(N)=O)c1ccccc1 481241017 IVXZQKNNNJLOKS-BFUOFWGJSA-N 400.460 0.742 30 20 HCED C[C@@H]1C(=O)N(C)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 494750728 AEBCVTZYJWTZEM-CQSZACIVSA-N 404.492 0.648 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 508910895 GBETVZFNIBDHBA-UHFFFAOYSA-N 404.475 0.454 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 511739471 RJUUAGVXHZNACW-MRXNPFEDSA-N 423.514 0.959 30 20 HCED N#Cc1ccc(Cl)c(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 512718503 OPESQYGSXYKXGZ-UHFFFAOYSA-N 412.899 0.983 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N1CCN(c2snc(C)c2C#N)CC1 514832654 RPMMGWAEZVUZCC-UHFFFAOYSA-N 400.530 0.484 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 521342186 RRTKHWNWXYTFLY-UHFFFAOYSA-N 401.467 0.564 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)n1 538064149 MPDSBNBFIYJAGZ-CYBMUJFWSA-N 403.487 0.152 30 20 HCED COC(=O)C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 538268084 AXXRVFUIPDTRHD-HOTGVXAUSA-N 406.508 0.721 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 551190460 NSTKIODMSIMKPI-UHFFFAOYSA-N 406.446 0.942 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCC2(N3CCOCC3)CC(OCC)C2)CC1 553670091 VWUFEOLSTAUWOC-UHFFFAOYSA-N 408.543 0.139 30 20 HCED CN1CCC2(CCCN2C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 554694292 GICONBHNPQJEDT-LJQANCHMSA-N 423.517 0.862 30 20 HCED COCCn1cc2c(n1)[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CCC2 571935331 POFFESJXVMJIQR-KRWDZBQOSA-N 417.491 0.873 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC2CCN(S(=O)(=O)CCC)CC2)CC1 574624013 BIVGWYYBCKFOHE-UHFFFAOYSA-N 400.545 0.073 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCCO1 576495803 QMAUIFTZEOWCMG-SFHVURJKSA-N 413.522 0.824 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 583299200 LPEWYCNDQFDYGP-UHFFFAOYSA-N 422.510 0.056 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587647216 HCYAKQJVFXPKHV-INIZCTEOSA-N 413.478 0.840 30 20 HCED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 589069437 SKCGTHUGGSMEDI-HOCLYGCPSA-N 417.897 0.891 30 20 HCED CCNC(=O)C1(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCC1 589190835 AGGBCTNKHZNNLD-UHFFFAOYSA-N 413.522 0.871 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCCOCC 590902881 ZEJWZDVFHYVKPO-UHFFFAOYSA-N 400.504 0.761 30 20 HCED COc1cc([C@@H](C#N)NC(=O)CSCC(=O)N2CCOCC2)cc(OC)c1OC 609006141 BIKBKGLVOAZJAS-CQSZACIVSA-N 423.491 0.985 30 20 HCED Cc1nnc2n1C[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 611009858 YAWPMXPRGGNNIW-MRXNPFEDSA-N 414.491 0.554 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 619709906 FOKOLXIHYOCLKU-ZIAGYGMSSA-N 418.397 0.869 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 728536265 QWKLBVQGFHOXNG-UHFFFAOYSA-N 404.898 0.744 30 20 HCED COC(=O)C(C(=O)Cn1cc(S(=O)(=O)N(C)C)cn1)=C1Nc2ccccc2N1 737406943 ZWCOIKJXPMYANY-UHFFFAOYSA-N 405.436 0.625 30 20 HCED CCN1CCN(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742669593 LFCURGMWQSWEOK-OAHLLOKOSA-N 407.540 0.257 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)CN(C)C2=O)cc1 749361670 QAOWRSOIMWHERT-UHFFFAOYSA-N 402.407 0.769 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 749740442 AUMRJNJLQFEZRN-JUZUYHRRSA-N 420.491 0.491 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2CCOCC2)c1 750365984 MJLSLQHDQYYFIS-OQKWZONESA-N 422.507 0.981 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1837395246 VELFFQIMJLTRDR-HNAYVOBHSA-N 409.508 0.786 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560392 PBYDUWMBZMJHEP-OJJSKHJLSA-N 402.451 0.705 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3Cl)CCO2)C1 1837884050 STAVOFIIQNPBBZ-FOIQADDNSA-N 421.881 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837919610 FSYUFAABEAHZKW-LIRRHRJNSA-N 422.869 0.238 30 20 HCED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1838212791 MDJAZNCLTGIRKV-QHCPKHFHSA-N 420.469 0.907 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838271639 QKXXGNUABNLFPV-HRAATJIYSA-N 418.494 0.091 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncon4)CCO3)C2)c1 1838321234 RHEACSIHRHEFNJ-IBGZPJMESA-N 415.381 0.464 30 20 HCED COC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905506 JNCMSWOSRJFKCG-IIBYNOLFSA-N 401.463 0.911 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839171613 BJWKMYPAVULQEP-OAQYLSRUSA-N 423.510 0.048 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=C(C)OCC3)C2)C1 1839224340 JJPHAKPSBVXXMV-OXQOHEQNSA-N 409.483 0.938 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351376 FNFMPFGSRBPDJX-JOCHJYFZSA-N 413.474 0.659 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)n1ccnn1 1839709799 SNHPXAVQLLUYJT-KKSFZXQISA-N 424.461 0.481 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839845617 VRXJTPZVWYBYAL-DYVFJYSZSA-N 421.416 0.334 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103670 MGNPATDVIJYLPC-HXUWFJFHSA-N 406.483 0.005 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1840159074 WQPOMXZQSMMOLP-KDOFPFPSSA-N 411.549 0.948 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840162213 PCSODLVCYGQPRR-BZNIZROVSA-N 404.439 0.667 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840362054 DWDZALKKQCCLIM-QRWLVFNGSA-N 401.467 0.275 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCS3)CCO2)C1 1840577331 QXSAYOBYXPRIKS-GQIGUUNPSA-N 412.552 0.912 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)CCC1 1840811873 ZWALJHALGRZFAB-IBGZPJMESA-N 418.406 0.952 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840841742 SWZGJSJMBCMESR-WIYYLYMNSA-N 400.479 0.341 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)n(C)c(=O)n3C)C2 1841600232 MUHGBUAIAMYHHM-OAHLLOKOSA-N 410.474 0.732 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2nc(C)c(C)[nH]c2=O)C1 1842183439 HFBICAGCCUAYAW-UHFFFAOYSA-N 402.451 0.713 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)OC(C)(C)C 1847263298 STQYHJBHZFPMFZ-FLELRFNZSA-N 420.510 0.914 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)c[nH]1 1847513547 ZPWKQNBFRPMJHG-HRCADAONSA-N 417.466 0.587 30 20 HCED N#Cc1c(NC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)sc2c1CCCCC2 18580016 UGQBHEJUKDRQNA-UHFFFAOYSA-N 402.432 0.921 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 22075582 QTDUNLUABCZNFG-AWEZNQCLSA-N 408.476 0.777 30 20 HCED C=CCc1ccc(OCC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 43057864 ATGNUOXIBLBAOW-OAHLLOKOSA-N 410.492 0.612 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3cncn3)CC2)cc1 45646665 NXFDBHJQEZDNFM-UHFFFAOYSA-N 403.468 0.256 30 20 HCED CCN(CC)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 61760344 LPIJYZAXMHRWTF-UHFFFAOYSA-N 423.539 0.944 30 20 HCED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(OC(F)F)cc1 409497827 FYSRGOUZIYVIBB-OLZOCXBDSA-N 405.379 0.561 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)NCCNS(=O)(=O)Cc3ccon3)n2)c1 409805914 METIYVULCHAWIH-UHFFFAOYSA-N 400.420 0.581 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 443496868 YSTMFVLNSWMIAU-UHFFFAOYSA-N 400.869 0.863 30 20 HCED C=CCn1c(C)cc(C(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1C 444246100 LTQUGLZECYCSCL-UHFFFAOYSA-N 400.479 0.767 30 20 HCED CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 464111756 YSQFCXZLEIJSFW-OAHLLOKOSA-N 422.507 0.576 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@H](C(N)=O)C1 464956630 VXRSGKYIYBHHNH-HOTGVXAUSA-N 414.514 0.156 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 465420856 JLCLSTKBSUCHSG-LBPRGKRZSA-N 421.417 0.355 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(=O)c1 468439778 RAHORPLBHVZEGU-YDFBLROQSA-N 406.442 0.780 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472157094 OUQNOOBPWBNFET-INIZCTEOSA-N 402.499 0.524 30 20 HCED CCO[C@@H]1C[C@](O)(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1(C)C 475378092 XMNRXXIQWSHIAV-QRWLVFNGSA-N 412.450 0.760 30 20 HCED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 478842795 GBMZSPOCBYQTCF-CQSZACIVSA-N 422.466 0.840 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(OCCN(C)C)CC1 482178124 OBMKCTIXFGYWIO-HNNXBMFYSA-N 408.524 0.794 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2cnccn2)cc1 483462389 WATDJDOFYWHZGC-LBPRGKRZSA-N 402.436 0.714 30 20 HCED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487525848 WDHBHEHPUWPZLU-CKEIUWERSA-N 404.492 0.876 30 20 HCED C=CCOc1ccc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 508433831 WNXQYFKHQCKXHR-UHFFFAOYSA-N 414.462 0.754 30 20 HCED CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 509273056 DZAQSZCQWWAIKH-NVXWUHKLSA-N 423.477 0.946 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 509362589 XGWRMHANKDZDFJ-YJBOKZPZSA-N 407.540 0.952 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 510238688 GXENUOAUGXAYHX-HZPDHXFCSA-N 423.543 0.350 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(N)=O)C[C@@]12C(=O)Nc1ccccc12 514024411 KHPVYNGROLSDEH-DAESXHAQSA-N 410.478 0.381 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)n1 519192441 JMTPHQBFDSCYRN-QGZVFWFLSA-N 420.477 0.177 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc3c(c2)OCO3)c1=O 532799898 ILLAQIKATHCLKE-UHFFFAOYSA-N 423.454 0.093 30 20 HCED CN1C(=O)NC2(CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)C1=O 534852875 VNPVUBDLDSVJQA-UHFFFAOYSA-N 407.434 0.699 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)cc1 537821897 ADWILFILPHUUTE-HNNXBMFYSA-N 423.495 0.473 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 549751719 HENVLMNCTCATBD-HOCLYGCPSA-N 400.435 0.792 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 550659215 MRIYJAFMIVUUCF-GOSISDBHSA-N 420.473 0.553 30 20 HCED COc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1OC 559348367 JLXMZRIVWNGCOK-UHFFFAOYSA-N 400.439 0.588 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)n1 570714591 DONOVADNYJEUSV-CYBMUJFWSA-N 421.866 1.029 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2)nc1 577478188 HAXKGAJPZILHHA-CQAXQDJESA-N 410.430 0.485 30 20 HCED CC(C)N=c1[nH]c(N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc(=NCCO)[nH]1 587169282 FIWPXKDJKVSHES-UHFFFAOYSA-N 413.486 0.004 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 589884375 GVPGLTPUTHTRJC-IBGZPJMESA-N 413.526 0.191 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604141329 ZGYAXNILDKQELC-UHFFFAOYSA-N 417.447 0.740 30 20 HCED CC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 612491921 AFLIAEVZORLXOB-QZTJIDSGSA-N 420.535 0.938 30 20 HCED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)n2)c1C 619078547 OGTCUAREFMSLEP-GOSISDBHSA-N 401.402 0.750 30 20 HCED C=CCCN(C)C(=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 670965596 GLHASPIVNKIONY-UHFFFAOYSA-N 402.495 0.998 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 684789016 AFBPIKJBPZLFQT-RHSMWYFYSA-N 400.435 0.774 30 20 HCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O 725768297 YJMGFZBEYHSIQO-KXBFYZLASA-N 419.507 0.544 30 20 HCED Cc1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)cc1S(=O)(=O)NCC#N 726882858 VQLVHJVSGDZCFX-UHFFFAOYSA-N 411.447 0.703 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 728535681 CJRSRBYERTYABY-UHFFFAOYSA-N 413.474 0.704 30 20 HCED CCc1nn(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(=O)c(C#N)c1CC 731937241 JMZLVCKBUACRST-UHFFFAOYSA-N 414.466 0.772 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 731976348 WIYQYGWACKYDJS-IBGZPJMESA-N 412.490 0.701 30 20 HCED C#CCN1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 733162135 IOYATUVAMDHXPO-UHFFFAOYSA-N 407.492 0.294 30 20 HCED C#CCOc1ccccc1CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 734104201 HTPMVNDVCVMMHW-OAHLLOKOSA-N 403.460 0.480 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C(C1CC1)C1CC1 734828855 ZRLNKNVBKWUZGL-UHFFFAOYSA-N 409.515 0.810 30 20 HCED COC(=O)CN(CC#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 737859992 KPVPCWDPRSDJGE-UHFFFAOYSA-N 404.448 0.373 30 20 HCED COC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 740508324 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0.129 30 20 HCED CCOC(=O)CN1CCC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 766381769 MGDCBVIGMFFYPS-HOCLYGCPSA-N 423.491 0.796 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C2CCCCC2)C1=O)c1cc[nH]n1 772389851 RQGWGQIJZZEZKH-HNNXBMFYSA-N 405.455 0.743 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCNc2ccc(C#N)cn2)[C@H](C)O)cc1 779500590 RIBUUDXWIKGZAP-KBXCAEBGSA-N 417.491 0.518 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 783347254 LPTVNWBIIASDMS-UHFFFAOYSA-N 407.492 0.887 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 783541483 GDVQOZXDBOLQGN-LJQANCHMSA-N 405.476 0.702 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccsc1 790438630 PELJGJCBLFOWAI-UHFFFAOYSA-N 413.528 0.969 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NN=c2nc3[nH][nH]cc-3c(O)n2)C1 794508185 SDNNYNPKOCNTMP-LLVKDONJSA-N 418.458 0.593 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 796184140 LAQYMKCENQPUEQ-UHFFFAOYSA-N 406.507 0.751 30 20 HCED COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc(C#N)cc1 800231890 IXGQEARERYEARZ-KRWDZBQOSA-N 403.416 0.876 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)nc2)CC1)[C@@H]1CCS(=O)(=O)C1 801554679 NVMDBNATXLYDHK-QFBILLFUSA-N 419.551 0.889 30 20 HCED C#CCN=c1nc(N2CC[C@H](C)[S@](=O)CC2)[nH]c(N2CC[C@H](C)[S@](=O)CC2)n1 804650645 RODWOCDVDRJLHZ-DQENWAIKSA-N 424.596 0.033 30 20 HCED COc1cc(N2C[C@@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)cc(OC)c1OC 816759502 NYHQGPAEGAKYMC-AAEUAGOBSA-N 407.423 0.562 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@H](CCS(N)(=O)=O)C2=O)cc1C 821047482 LDYTWOXCVVWAAH-OAHLLOKOSA-N 421.479 0.149 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccs1 839327386 NXXOWCIXIFQPDG-UHFFFAOYSA-N 411.512 0.558 30 20 HCED CC(=O)N1CCC[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 915381773 CHIRUFQTXCENCS-OAHLLOKOSA-N 403.439 0.305 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc1ccc(Cl)cc1)c(=O)n2C 916884824 HSWIQCAQIAELBR-LBPRGKRZSA-N 414.809 0.435 30 20 HCED CCCn1c(=O)nc(O)c2c(C(=O)[C@@H](C#N)C(=O)NCCOC)cc(C3CC3)nc21 916891264 UAGGRTYKVNNAEM-CYBMUJFWSA-N 413.434 0.870 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 916893004 VACKLLZIVSTHPJ-QGZVFWFLSA-N 418.475 0.430 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(O)nc1=O 996982167 ITBHGFACUCUXKI-OWYFMNJBSA-N 402.451 0.178 30 20 HCED C#CCNC(=O)[C@@H](C)N1CCC(CCOC)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1151225504 NETJYDHHEYUTPB-QKDSSNGWSA-N 403.523 0.535 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)C1CCCC1 1211881647 ZAEMYIFIDHAGPA-HNNXBMFYSA-N 401.514 0.186 30 20 HCED CC(=O)Nc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1301794967 KERXFXOAHLPDSM-IRXDYDNUSA-N 409.450 0.965 30 20 HCED CCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1306216988 SWHVMAGTXDTLRP-HRCADAONSA-N 402.478 0.915 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C#N 1314542060 IUWUVPNPYKKFAR-CQSZACIVSA-N 408.532 0.946 30 20 HCED CS(=O)(=O)N1CCc2cc(C(=O)NS(=O)(=O)c3ccccc3C#N)ccc21 1317862729 GTVQNHMMTSOORO-UHFFFAOYSA-N 405.457 0.999 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1322199318 FBVNROVNMRPKAI-LIRRHRJNSA-N 410.492 0.981 30 20 HCED CCCCS(=O)(=O)N1CCC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1338808084 WQHZJYGRXHJNPE-VLGSPTGOSA-N 412.512 0.471 30 20 HCED N#Cc1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cnc1C(F)(F)F 1347629398 QDWOQDPWEFAHKS-ZDUSSCGKSA-N 402.398 0.917 30 20 HCED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 1360787788 CHRREZFJRWLASJ-UHFFFAOYSA-N 409.516 0.193 30 20 HCED N#Cc1ccc(NCC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 1544401786 OPXBTPLBHJYVAB-UHFFFAOYSA-N 410.459 0.658 30 20 HCED COCCN1[C@@H](C)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C 1570699115 NGHJPCMSICBWBG-XHSDSOJGSA-N 408.524 0.793 30 20 HCED COc1ccc(C[C@H](CO)CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1Br 1612391853 QMGVSSJJPYGQIH-NSHDSACASA-N 423.267 0.979 30 20 HCED N#Cc1cn(CC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c(=O)nc1O 1621631321 RAWBMLBAOPINLU-UHFFFAOYSA-N 409.446 0.514 30 20 HCED CN(CC(=O)N1CC[C@@](O)(CC#N)C1)S(=O)(=O)c1ccc(Br)cc1 1639943322 NDUKYOIYKJRXLH-HNNXBMFYSA-N 416.297 0.947 30 20 HCED Cn1c(=O)[nH]c(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c(C#N)c1=O 1642059565 TUNQPKMELYCLBJ-UHFFFAOYSA-N 407.427 0.032 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 1663708565 KKDNTYMNFXQHHF-UHFFFAOYSA-N 415.884 0.630 30 20 HCED CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCCO1 1664305752 ILWRWKUWQREANZ-ZIAGYGMSSA-N 404.489 0.071 30 20 HCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1696876786 RXTJHCQSBQMVSE-DYESRHJHSA-N 409.494 0.585 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCCC1 1706871332 OFMDWKFVPDOAKX-PBHICJAKSA-N 413.523 0.816 30 20 HCED COCCN1C[C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1712470737 SWONKLXKTFKMGW-DOTOQJQBSA-N 411.466 0.564 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1729215544 ZBIWNHUHRWFRQN-OAHLLOKOSA-N 419.511 0.740 30 20 HCED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1730587859 OQXFIJREXYPCLT-WIYYLYMNSA-N 412.494 0.735 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccccc2F)cn1 1748013558 NSWAWJUPQMYICI-HNNXBMFYSA-N 424.440 0.976 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1761217314 LXAMVLXQIUQCMY-HNAYVOBHSA-N 407.494 0.705 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1767943192 SUAZORCAWYVQJQ-ZBFHGGJFSA-N 408.528 0.426 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382314 HTJMORDNNZWORJ-NRFANRHFSA-N 413.478 0.264 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778577883 LPSYAPJCRLOLHO-BUXKBTBVSA-N 405.476 0.779 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1778958182 YLLFTAFXVKEVHS-CLCXKQKWSA-N 411.503 0.325 30 20 HCED 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HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3cncn3)C2)C1 1784476452 JPPCSWLHUYSLOT-KXBFYZLASA-N 405.455 0.178 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1784531855 PPTNPSHLZCMIIG-DOERSZECSA-N 410.496 0.436 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786726071 WNPGDPOIGQCQEO-FYQPLNBISA-N 422.570 0.195 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787080774 KKTPWCCISJPWFD-ZOBUZTSGSA-N 421.519 0.908 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1788661453 SQFCTRCAYXVFJQ-XCVVQTEPSA-N 421.494 0.388 30 20 HCED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1789881365 MJRBORQKKAWKTL-CJCBUOBESA-N 416.453 0.354 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177161 OSAZGJYSEQISFB-CXOVXGEYSA-N 417.528 0.128 30 20 HCED O=C(O)C#CC(=O)Nc1ccc(C2(NC(=O)c3cc4n(n3)CCNC4=O)CCC2)cc1 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C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833469777 DHLHGXGUQNMZIU-IBGZPJMESA-N 423.491 0.075 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1833764479 JSDLCLAGBBHPEU-PBHICJAKSA-N 419.526 0.368 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835207938 TUXMKYCUFHMGOV-MAODMQOUSA-N 423.510 0.932 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835365646 ORMMZARWOXTTRV-FQEVSTJZSA-N 424.498 0.661 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835397060 YALFTTSYRLTFMQ-KNQAVFIVSA-N 421.538 0.543 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1)C(F)(F)F 1835413752 LDVUJLKHWAZAEL-QGZVFWFLSA-N 419.400 0.184 30 20 HCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1835844821 FHYZBNFRUISKTF-SUMWQHHRSA-N 414.572 0.027 30 20 HCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1836258427 IUZPXHIEMWPYPM-UHFFFAOYSA-N 411.510 0.227 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)ccn3)CCO2)C1 1836357615 HCIBCGDAUZAROW-JTSKRJEESA-N 415.490 0.752 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC(=O)C=C)CC2)CC1 1836858903 CJTHIGMLWZHEKD-SJORKVTESA-N 419.522 0.714 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837288066 DJLORNRNNALQEK-JUMAPTCESA-N 405.539 0.995 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)n2ccccc2=O)CCO3)C1 1837680442 KRCHICZORURUIT-VGOFRKELSA-N 415.490 0.832 30 20 HCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1837796390 GZFCEBDJJOPRBM-UHFFFAOYSA-N 402.451 0.214 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)nn1C)CCO2 1838080646 FQIHCYZUNZEXTB-MRXNPFEDSA-N 400.357 0.142 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@H](O)CC4)C3)C2)c1 1838742171 VNZZIMJWNLEBSJ-FIKGOQFSSA-N 416.478 0.507 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1838773813 CMHNAGZJNRXLPT-UHFFFAOYSA-N 419.478 0.086 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccccc4C(N)=O)CCO3)C2)C1 1839349401 SBZYOKXYHJGNGV-QFIPXVFZSA-N 413.474 0.822 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839884810 JTAXYBHJMFQQJF-RXVVDRJESA-N 407.511 0.737 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC(C)=O)CCO2 1840131960 VKQWMTGOUGISPL-QVKFZJNVSA-N 424.494 0.567 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1840173266 MIXXYJBTZOHFGV-NRFANRHFSA-N 423.510 0.886 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1840174159 MCLNUTDVRIHHFC-NRFANRHFSA-N 417.462 0.904 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n(C)n1 1840813404 WZFCYMCQKLKSKZ-HXUWFJFHSA-N 401.467 0.492 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccccc1)C2 1841056383 AJQJQHRXNQXHFG-KTKRTIGZSA-N 424.501 0.868 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C1 1846268672 RHIQPSWYXCFMSV-WHLNPGIBSA-N 420.510 0.961 30 20 HCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1846945894 KLEQESPAYCXAPV-UHFFFAOYSA-N 417.462 0.845 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1CS(C)(=O)=O 1847348272 MYESOGODZZCBAP-HOTGVXAUSA-N 404.492 0.991 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165838 KYHPPLCMGYXJKX-LBRXUCBSSA-N 400.395 0.705 30 20 HCED COCCn1c(N)c(C(=O)CSc2nc3c(c(C)c2C#N)CCC3)c(=O)[nH]c1=O 29450180 UBOKGNZQWHNJHT-UHFFFAOYSA-N 415.475 0.804 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 56139835 JHVANKCUWCXZTI-ZDUSSCGKSA-N 407.535 0.762 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCC#N)CC2)cc1 427626229 NBEIDKDALNTJGY-UHFFFAOYSA-N 408.480 0.338 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442045045 PPKNUTNLYVYBKQ-YPMHNXCESA-N 401.448 0.782 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)OC2(CCOCC2)C1 448317805 BJKORVZIMJLJPY-HNNXBMFYSA-N 424.461 1.182 30 20 HCED 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N#Cc1ncc(OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cn1 488765849 IQVUXEGXDDWLNN-KRWDZBQOSA-N 409.402 0.238 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CSCC(=O)N3CCOCC3)C2=O)cc1 489223628 UITXKXWRUOEQAY-KRWDZBQOSA-N 416.503 0.367 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cscn2)c1=O 497552245 ZDVDKTOIIHDHGO-UHFFFAOYSA-N 406.558 0.901 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccs1 502044198 RGOXPOYOTNRKHW-UHFFFAOYSA-N 411.512 0.558 30 20 HCED CC(C)[C@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1CCCS1(=O)=O 505165259 WRCVWCULBSPRNJ-GDBMZVCRSA-N 406.512 0.445 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCNC(=O)[C@@H]2Cc2nc3ccccc3o2)cc1 505561999 NSEQLLSKJSYWDB-KRWDZBQOSA-N 417.425 0.999 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)CN(C)Cc3nnc(C)n3C)CC2)cc1 505728905 GRNIPHFTHSEMTG-LJQANCHMSA-N 411.510 0.973 30 20 HCED C=CCc1ccc(OCC(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c(OC)c1 505956790 LVGGHZOINLIZEV-GDBMZVCRSA-N 424.519 0.858 30 20 HCED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 506895543 ZDPZNJRQWMBIHV-GFCCVEGCSA-N 423.470 0.637 30 20 HCED Cc1nccnc1N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 508364597 WGJRGXQSNXMWJD-UHFFFAOYSA-N 414.491 0.626 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1C#N 508702216 ZDYMRBMYPJOYSE-UHFFFAOYSA-N 413.434 0.921 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CS(=O)(=O)CCO1 511452124 AGIRCXOTRIHLLL-STQMWFEESA-N 411.505 0.807 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2O)CC1 512125340 WWYFUTCTDAEXCJ-UHFFFAOYSA-N 417.403 0.714 30 20 HCED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)c2)cc1 513597577 KTPHXKHHUARYOI-UHFFFAOYSA-N 407.430 0.837 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2OC)c1=O 514306168 IESAQWOTZPMBRO-UHFFFAOYSA-N 415.515 0.984 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 518122184 DJVSPRBRQYIVOU-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCC[C@@H]1O 534382393 VNJMBQXPOXCCAQ-MSOLQXFVSA-N 420.535 0.484 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2Cl)OCO3)CC1 534617365 KLQGBJSEAJXSFT-UHFFFAOYSA-N 408.842 0.454 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ncc(C)cn2)cc1 535412813 ZFIIKISAHDWNKY-UHFFFAOYSA-N 417.491 0.889 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 539697439 UAZHLOLWSGCIQE-UHFFFAOYSA-N 411.388 0.778 30 20 HCED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)c1 547823194 FOLIOXJLRLBWLC-UHFFFAOYSA-N 410.499 0.129 30 20 HCED CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 552510364 RZCWQIBHELQXHQ-HIFRSBDPSA-N 404.452 0.285 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)cc1 555541729 STVXYEIXGWLSTG-DEEWQJAJSA-N 402.472 0.060 30 20 HCED COC(=O)c1cn(CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 556420765 HXSSGCBCINGBBX-HNNXBMFYSA-N 411.422 0.431 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)n1 559038106 DFSRQHZCPBJHFA-HOCLYGCPSA-N 410.409 1.091 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 559566544 PQKJXUWJNYENSZ-OALUTQOASA-N 415.490 0.873 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)c1 560912672 WEJXIQDOLMJLAA-UHFFFAOYSA-N 422.445 0.264 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[C@@H]1N1CCN(C)CC1 561013732 DHBWTIHKEFJALT-WBVHZDCISA-N 415.542 0.933 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)o2)c1 561504640 CMJHBUOENQRQEE-JTQLQIEISA-N 412.449 0.365 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cnc1C 562358560 KVCFBNHXIJDQPA-UHFFFAOYSA-N 401.448 0.954 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 563392022 LVBAKNAABIPGGN-PKOBYXMFSA-N 410.540 0.972 30 20 HCED CCN(CCOCCO)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 564068701 VIIZPUKGVWHGCU-KRWDZBQOSA-N 402.451 0.027 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3cnccn3)CC2)n1 564459477 CHSGBJJQTVHNHZ-UHFFFAOYSA-N 403.406 0.216 30 20 HCED COCC(=O)N1CCC(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 565977612 KTDLJCBLQWJDKN-UHFFFAOYSA-N 406.512 0.792 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CCCS3(=O)=O)n2)c(Cl)c1 571117929 GJOMUNFHIFXXLA-GFCCVEGCSA-N 421.866 1.029 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1 571249327 BTSXUONYSLXRCA-KRWDZBQOSA-N 416.459 0.737 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3CCC(C)CC3)CC2)c1C#N 583157550 YNCIDQKVQJWOBB-UHFFFAOYSA-N 415.542 0.487 30 20 HCED CN1CC[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 588126134 BECRZAQNYXZZFZ-ZWKOTPCHSA-N 405.449 0.930 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 588640425 XCVRCYMPLUOKCW-ARGWCVDVSA-N 400.410 0.486 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 588780641 QFTHJSQSSAKYRJ-CQSZACIVSA-N 414.466 0.199 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)c1 589454262 RHOJCAZCAOIAKD-KRWDZBQOSA-N 404.492 0.886 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)c1 603998525 YCAUGPJIPGHUHE-UHFFFAOYSA-N 413.499 0.909 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1 604682216 ALFNMUBWNQBFSZ-IBGZPJMESA-N 413.522 0.779 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 609458875 ZGHNRBUECQSTCC-SFHVURJKSA-N 423.539 0.352 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCS(N)(=O)=O)ccc1OCC(F)(F)F 609955720 KOALCSAIEZKROI-UHFFFAOYSA-N 408.358 0.233 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 611072604 SMQDOVLZLZJNAU-MRXNPFEDSA-N 406.512 0.645 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 611547753 SCWWYASRRPQVNU-IAGOWNOFSA-N 404.492 0.984 30 20 HCED COc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1NC(C)=O 614837847 XCFDYGQKMJWZGP-UHFFFAOYSA-N 420.451 0.886 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 728570770 MKXYKGVZEUQPJM-UHFFFAOYSA-N 412.534 0.218 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CNC2(c3noc(C)n3)CCCCC2)c1=O 729849971 RGSHJJBUADSJLE-UHFFFAOYSA-N 402.455 0.642 30 20 HCED N#C[C@@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)N1CCS(=O)(=O)CC1 732907774 CXNVYVPQOVSUGR-IRXDYDNUSA-N 406.460 0.824 30 20 HCED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734572622 FDYVGANGTLXWAD-SJCJKPOMSA-N 417.443 0.601 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 739136935 MDVODLCDCZQUEA-UHFFFAOYSA-N 420.473 0.582 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc21 756887177 VJKZDDSQWPMQKY-AAEUAGOBSA-N 414.422 0.523 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)cn1 758499500 IYIXUGHKWFJMSC-SNPRPXQTSA-N 417.470 0.584 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 760006600 FZVOKTYICRVFFL-LERLKVIMSA-N 423.495 0.654 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 760740408 SGAQICRSFVMBGV-SFHVURJKSA-N 424.479 0.011 30 20 HCED C#CCN(CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 765058118 AILRZSBMXWJYDZ-UHFFFAOYSA-N 421.519 0.790 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 768113222 GKFBXNOYAXUSOX-UHFFFAOYSA-N 423.477 0.712 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 769628516 JIVCRFTUTWHBFD-UHFFFAOYSA-N 414.403 0.826 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCOCC)c2=O)cn1 772303351 OZFUWKDQKACDEM-UHFFFAOYSA-N 401.492 0.273 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)[C@H]1CCCO1 773056795 ZLHXRSHEPMGVDS-UKRRQHHQSA-N 402.494 0.916 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 776136947 BJARUSOTLIBRCW-UHFFFAOYSA-N 404.448 0.054 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)ccc1F 776435703 KGGPQGUWBFYPJM-LBPRGKRZSA-N 419.500 0.396 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CCCC1 777352015 XUUUICKCXMTWJY-UHFFFAOYSA-N 402.473 0.157 30 20 HCED N#CCn1cc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cn1 781959039 TWQWUWVSTQHGFR-HIFRSBDPSA-N 409.855 0.823 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O 783351208 WFQBEFCEOGDWCK-UHFFFAOYSA-N 419.459 0.348 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc2)CC1 783424723 IGTFALLHUPLVMS-HNNXBMFYSA-N 401.467 0.538 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)n1 789788459 SCZRCSMDBQROIU-UHFFFAOYSA-N 408.422 0.106 30 20 HCED C[C@H](CC(=O)OC[C@@H]1CCCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 791972391 XPIUGTPIPDPHEW-OLZOCXBDSA-N 414.505 0.872 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 794647387 PEIGMTPUXYWYLB-HNNXBMFYSA-N 423.450 0.950 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 798471794 AWOJEMUWQDIJOD-MRXNPFEDSA-N 400.522 0.952 30 20 HCED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 799200003 UODGPXMLGWPBNW-UHFFFAOYSA-N 402.476 0.181 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)CC1 802806698 YFAMXVUINWOLLU-INIZCTEOSA-N 407.496 0.641 30 20 HCED COc1c(C)cnc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 803669168 INYLDKWPRYECSL-UHFFFAOYSA-N 408.462 0.939 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 806989727 OVOIYZYSTZDOGY-NVXWUHKLSA-N 419.441 0.605 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1C#N 809504440 LUFUJHVIDDRIOE-INIZCTEOSA-N 420.491 0.210 30 20 HCED CCc1nnc(S)n1CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810382995 WLLWAGSQDPGLRP-UHFFFAOYSA-N 411.451 0.336 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cnc(N3CCOCC3)s2)cc1 811468716 DVNUFXNIEYPJSD-UHFFFAOYSA-N 421.504 0.446 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 815861406 HCEOSACZQXJJNT-UHFFFAOYSA-N 423.539 0.013 30 20 HCED NC(=O)Nc1ccc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 898411043 UBOYMCHQQGWRQE-UHFFFAOYSA-N 416.415 0.642 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOCC1 912518201 DDJYBQVNDIQGNG-KRWDZBQOSA-N 422.551 0.978 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCN1C(=O)CNC1=O 914625602 VOMBFMTVSJTGQM-HXUWFJFHSA-N 412.402 0.247 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2=O)cc1 1115908890 ITAHKTZHPZZROA-KRWDZBQOSA-N 418.457 0.754 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)n1 1228011080 RTHBMAVMWLQHTR-UHFFFAOYSA-N 402.358 0.943 30 20 HCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1302496949 QEBMHTUCPMCIBF-UHFFFAOYSA-N 404.496 0.575 30 20 HCED N#C[C@H]1CN(c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1303003726 JRMHPHPSNBJXKD-HNNXBMFYSA-N 409.512 0.604 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1313996095 IQZIWSVQWWGWRU-UHFFFAOYSA-N 420.481 0.845 30 20 HCED CCOC1CC(O)(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1314264910 ULEFXYYEVZENLS-HVEKOLDVSA-N 404.471 0.059 30 20 HCED N#CCCN(Cc1ccccn1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1318504575 ZICFWFDWZODKCQ-OAHLLOKOSA-N 403.464 0.489 30 20 HCED C[C@H](CC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1339531447 BDPWSCZNEXYBBL-KGLIPLIRSA-N 416.507 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COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623841 JEFURYMQAYBZEP-CYBMUJFWSA-N 408.455 0.560 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842806641 PCHWRKMQBRRIIR-AWEZNQCLSA-N 406.483 0.769 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@@H]3CCC(=O)NC3)c2c1 1847321046 IEDKNCVIDVPXMB-COXVUDFISA-N 406.446 0.776 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(Br)c1 7736663 ZBBJJYHNOQXFOV-SNVBAGLBSA-N 405.270 0.961 30 20 HCED C=CCNC(=O)NC(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 23561317 MDVIDCFMQSCTAC-UHFFFAOYSA-N 416.463 0.796 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC(C(N)=O)CC2)CC1 25912394 VVLYLIDVENHJRD-UHFFFAOYSA-N 412.450 0.652 30 20 HCED COc1ccc(CCC(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 109219538 CWMCHTIXKBYUMS-UHFFFAOYSA-N 411.462 0.246 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cc(C(N)=O)co3)CC2)cc1 430218523 MFUUZERSDCVNNT-UHFFFAOYSA-N 417.447 0.466 30 20 HCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1 430354302 PVDXAVBWNUNEIS-CYBMUJFWSA-N 408.480 0.748 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 437479560 UTAKCEDAKBPYIZ-GLJUWKHASA-N 407.492 0.784 30 20 HCED C[C@@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 438644031 AYGDSJWMFSPJDV-HNNXBMFYSA-N 422.507 0.525 30 20 HCED COC[C@H](C)NC(=O)Cc1noc(-c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 445272948 MHOGOYWJXGAOCV-LBPRGKRZSA-N 407.452 0.541 30 20 HCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465422504 KBAZTYBITACWJL-CYBMUJFWSA-N 407.434 0.431 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cccc(C#N)c2=O)CC1 467201026 KYLFFBUABDRAIJ-UHFFFAOYSA-N 411.443 0.125 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 471317985 RHJDXYBSSVJMKL-LLVKDONJSA-N 402.454 0.416 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 471995745 PLTGWOHFNPABGQ-UHFFFAOYSA-N 403.468 0.602 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476042428 RKCOROJZLLAFCL-KRWDZBQOSA-N 404.492 0.543 30 20 HCED COc1cc(C(=O)NCC(=O)NC[C@H]2CCCN(CC#N)C2)cc(OC)c1OC 478319373 ZYFKDIIKACKDQN-CQSZACIVSA-N 404.467 0.794 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 482466654 GHHLPWDSPAMEEE-UHFFFAOYSA-N 424.571 0.785 30 20 HCED CC[C@@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC)CC1 485116812 MNOMZTXNYJLZMM-ROUUACIJSA-N 411.528 0.456 30 20 HCED COC(=O)C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 488247395 JGIMYSQFMDCPEN-DLBZAZTESA-N 400.435 0.633 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 488971978 DJMCJCHGECGHBQ-LBPRGKRZSA-N 415.496 0.846 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CO)Cc3ccc(F)cc3)n2)cc1 500322381 CFLOHHUMOJTLSM-GOSISDBHSA-N 422.420 0.995 30 20 HCED C=CCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508490262 QBDOKYQEVPJQAC-CQSZACIVSA-N 412.450 0.199 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508645542 BDFFORSAVQROGL-OALUTQOASA-N 415.494 0.388 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)nc1 511708816 UNRQFQMRTZBBJQ-UHFFFAOYSA-N 400.464 0.361 30 20 HCED CN(C)CCOCCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 515471767 CPJXGEGHSOKYQD-UHFFFAOYSA-N 401.511 0.287 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 518576796 FDPHGLZKXUVHRS-UHFFFAOYSA-N 419.445 0.431 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)n1 518994731 MOUFLYZNFHWTND-UHFFFAOYSA-N 412.837 0.993 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(c3ccc(F)cc3)CCOCC2)C1=O 523381379 OGLKXNUVFMACMA-UHFFFAOYSA-N 403.410 0.967 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 524086152 JKZBBNMVYJTHBG-UHFFFAOYSA-N 423.477 0.968 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CC(N)=O 531938484 RHPQEYWWOZVLST-JTQLQIEISA-N 405.501 0.583 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)NC(C)(C)C 531941715 XBXRSJAYBKFVTP-GFCCVEGCSA-N 416.525 0.059 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 534549398 GWYROSLPCYGCLK-UHFFFAOYSA-N 424.523 0.651 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)C1=O 538792023 ZXNFHWKSGLNESV-LLVKDONJSA-N 407.452 0.589 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)c1 550114580 HVUFTCQCWBXLAV-WLLVXSAASA-N 404.488 0.352 30 20 HCED CNS(=O)(=O)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 557499192 CJSAHGXLQUEVRV-CYBMUJFWSA-N 408.505 0.986 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 559959556 BPYTZUVWEMQWMW-UHFFFAOYSA-N 420.491 0.797 30 20 HCED Cc1cc(NC(=O)CSCC(=O)N2CCN(c3cnccc3C#N)CC2)no1 561429264 KFLJJHPXKYCLPF-UHFFFAOYSA-N 400.464 1.270 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnc(CC2CC2)nc1 568421675 JYEBRPHMCRZFTN-CYBMUJFWSA-N 406.450 0.767 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CNC(C)=O)C1 571123392 VFJUBEOVSYOHRN-MRXNPFEDSA-N 402.451 0.897 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)NCc2ccccn2)cc1 571456257 IAJRRMDPWOQJHG-UHFFFAOYSA-N 401.448 0.054 30 20 HCED COCCO[C@H]1COCC[C@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 573174252 OJJPYKMYZZTROV-CVEARBPZSA-N 409.512 0.975 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N3CCN(c4snc(C)c4C#N)CC3)cn2n1 576078952 YIABOLBKOFAANP-UHFFFAOYSA-N 410.463 0.962 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4cnccc4C#N)CC3)CC2)o1 580388966 SQYYFVRQRATUAD-UHFFFAOYSA-N 420.477 0.592 30 20 HCED COc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 582337415 DSEZXXLEVVKQPX-UHFFFAOYSA-N 422.463 0.075 30 20 HCED COC(=O)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609823694 HNFGHSZJRNBFKW-UHFFFAOYSA-N 415.493 0.148 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609880922 NBQRWHDBUDTNPX-UYAOXDASSA-N 411.506 0.576 30 20 HCED N#Cc1c(CCCNC(=O)C2=NN3CCCN=C3N2)nn(-c2ccc(F)cc2)c1N 610488434 ZBWSZDDVRKQJQB-UHFFFAOYSA-N 409.429 0.492 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C(=O)N3CCCC3)C(C)C)CC2)o1 611395341 GOAOBMJBCQVTNG-SFHVURJKSA-N 402.499 0.740 30 20 HCED CCOC(=O)c1c(NC(=O)NCc2nnnn2C2CC2)c(C#N)cn1CCOC 614215386 UVFNIAOXNGPUJY-UHFFFAOYSA-N 402.415 0.826 30 20 HCED Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C#N 619541566 FXSCZZAWZJVYDF-UHFFFAOYSA-N 422.489 0.555 30 20 HCED Cn1[nH]c(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)nc1=N 619578628 RGEWOABIYORXOP-UHFFFAOYSA-N 417.495 0.439 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)C1=O 623228817 GYUWJGGRSNFFTJ-UHFFFAOYSA-N 407.430 0.954 30 20 HCED CC(=NNS(=O)(=O)C(C)C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729819954 VFLHCSYDVWARIY-UHFFFAOYSA-N 411.527 0.464 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C3CC3)c2=O)cn1 732562506 DFVFNAHXICLONN-UHFFFAOYSA-N 401.492 0.117 30 20 HCED C#CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 733000368 GCBDPEUXXCJXBP-QGZVFWFLSA-N 406.464 0.525 30 20 HCED C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 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0.990 30 20 HCED C[C@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821041885 BRSXLZWUIBFHPU-JGVFFNPUSA-N 406.493 0.576 30 20 HCED Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1827002521 KCLLTTJDHREOSI-JTQLQIEISA-N 400.416 0.365 30 20 HCED CN1CCC(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1829996787 VZUHFDFZUZUDTL-NRFANRHFSA-N 406.527 0.724 30 20 HCED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)COC1 1830035349 VFYYIPGLLHCCBU-NRFANRHFSA-N 417.437 0.804 30 20 HCED COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830479153 DWQNZTCEQNQFOQ-JLDPKJTDSA-N 407.467 0.582 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1830639102 MTVZZOUMJYHAFW-QFIPXVFZSA-N 421.538 0.543 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831019866 PFJQMQNDKOOECL-UWJYYQICSA-N 421.494 0.663 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1831421200 GPEZWQXULNRRIH-JXFKEZNVSA-N 406.483 0.390 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831479674 UEAYXOFHXMULLW-NRFANRHFSA-N 407.511 0.551 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2)C(F)(F)F 1832067354 ZOIJSSYHKRLXKG-YOEHRIQHSA-N 405.417 0.656 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)c4ccco4)CCO3)C2)CCC1 1832667975 KRDCLMDYAZRRRH-HXUWFJFHSA-N 401.419 0.613 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnc[nH]4)CCO3)C2)CCC1 1832818013 OURMWLRSNPGLAT-FQEVSTJZSA-N 401.467 0.493 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)O)C3)C2)c(O)n1 1833700058 PVAIYFWXCRXAJW-BTYIYWSLSA-N 419.478 0.357 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833782176 AQXLTJNYHNNBQI-SFHVURJKSA-N 407.858 0.750 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834368057 JHEKXKZHKXUJGQ-DNVCBOLYSA-N 408.455 0.854 30 20 HCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1)C(=O)O 1834741535 HPTCKARRRNNKFJ-KRWDZBQOSA-N 419.526 0.315 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3nccc4nc[nH]c34)CC2)CC1 1835028952 DJIBMRVXIFUCGW-UHFFFAOYSA-N 424.461 0.231 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1835356715 IJYWTYFJNXYSOC-TWMGVTGTSA-N 424.457 0.782 30 20 HCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c2c1CCC2 1835356773 KYMBSZJCXYPSHX-HXUWFJFHSA-N 401.467 0.283 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836048413 HJOGSHXGELNLAV-QUCCMNQESA-N 422.551 0.820 30 20 HCED Cn1ccc(=O)cc1C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1836107661 SPIJTVOXOCXEED-UHFFFAOYSA-N 410.518 0.984 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3nccc3c1)CCO2 1837155956 VSIDNDCHXNOKJM-QFIPXVFZSA-N 408.458 0.818 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838397773 CTWPWRKHSFQTQJ-BEFAXECRSA-N 408.455 0.854 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1840043172 HTTUHRXFWMAKNW-IBGZPJMESA-N 408.357 0.123 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1840158139 GKCTTXBXZUHQHJ-VLIAUNLRSA-N 422.503 0.733 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840159374 AIXUAKVKTZBNFL-ORAYPTAESA-N 423.491 0.241 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1840175503 SQGQYGBHQSRZMG-SIKLNZKXSA-N 412.490 0.785 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840242129 JWUMDHQMNHSTIV-KNCCTNLNSA-N 404.866 0.958 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)CCC1 1840813550 FXTOIEWSFFOCTD-QGZVFWFLSA-N 415.393 0.247 30 20 HCED C[C@@](O)(C(=O)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1)C(F)(F)F 1841825826 CEYMXUFOTHLERC-SNVBAGLBSA-N 424.269 0.858 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCCNC4=O)C3)c1 1844796021 ZCDFCTHHCXFCGP-UHFFFAOYSA-N 407.434 0.347 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1 55214791 NSLLHOFEGIYVEP-UHFFFAOYSA-N 401.510 0.305 30 20 HCED CC(C)(C)NS(=O)(=O)c1ccccc1C/N=C(/N)NCCCN1CCOCC1 303877682 IVNZROLNRZCNTL-UHFFFAOYSA-N 411.572 0.890 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(C(=O)NCc3ccco3)c2)CCO1 409585054 NYCQNLYTCYEJOL-KRWDZBQOSA-N 404.448 0.768 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)ccc21 435252222 POEWQPLKQLOWPS-QFIPXVFZSA-N 423.473 0.947 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 437529448 SZSNABMLUNHUBC-YJBOKZPZSA-N 407.492 0.518 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 438741253 XHOIBUXIFMNMFG-UHFFFAOYSA-N 417.491 0.643 30 20 HCED CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 439602409 QOAZPNDPWAFMOR-UHFFFAOYSA-N 418.498 0.859 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)C1=O 440266265 LZSMHHZSNKZCAA-INIZCTEOSA-N 402.451 0.385 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(OC2COC2)cc1 446525604 YVEBVWPOBFVTKC-UHFFFAOYSA-N 402.451 0.477 30 20 HCED O=C(Nc1ccn(CC(F)(F)F)n1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 446786607 PBUWEMJPKMIQRD-UHFFFAOYSA-N 419.301 1.429 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1 463688187 DZUFQLIHTQDVBQ-UHFFFAOYSA-N 421.457 0.624 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 465050245 SSTANSPLGFMWAT-UHFFFAOYSA-N 404.423 0.355 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(OC)c2)CC1 467594283 MBQDPQDYQJITFZ-UHFFFAOYSA-N 418.494 0.867 30 20 HCED N#CCCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CCOCC1 471225677 HXORODXPYFXSOH-UHFFFAOYSA-N 409.512 0.210 30 20 HCED CCS(=O)(=O)c1cccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 472110196 IKYPUFMQYPHICA-UHFFFAOYSA-N 415.537 0.717 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 475630633 HPGPDDOGDCNNHK-UHFFFAOYSA-N 414.422 0.493 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC(O)(CC#N)C1 476813676 AYSSDCKGCYNQND-ZDUSSCGKSA-N 401.485 0.713 30 20 HCED CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 481108004 CIYQZYNSSKQDAT-UHFFFAOYSA-N 422.507 0.680 30 20 HCED N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1F 481654349 GTYPMNRNOJZIMY-UHFFFAOYSA-N 421.410 0.928 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 481779206 NCQPGWVDAMJGFQ-SJLPKXTDSA-N 419.551 0.463 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccco3)c2=O)cn1 489023968 CNMDUXBGYBLTTK-CYBMUJFWSA-N 410.455 0.817 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nc3ccccn3c2=O)cc1 500490339 RRCYKCWSEXTCNQ-UHFFFAOYSA-N 401.448 0.941 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cnn2C)c1=O 505683970 MGLGAZJBJMZSIS-UHFFFAOYSA-N 417.560 0.487 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1 505695379 SZAXMERVWRTKRH-UHFFFAOYSA-N 405.483 0.746 30 20 HCED C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508472087 INTIVCAESRIKAT-OAHLLOKOSA-N 407.434 0.062 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1 511378129 MHPFICUHEQPKGO-UHFFFAOYSA-N 402.358 0.420 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCc2nnnn2-c2ccccc2)cc1 512069991 BKQPGDWSNHTAIA-UHFFFAOYSA-N 410.459 0.808 30 20 HCED C[C@H](NC(=O)CN1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCCCC1 513665649 GPQREMRKDHVKHK-DMPWYTOCSA-N 409.490 0.849 30 20 HCED CC(C)[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1nnc2ccccn12 519731121 WIRPQELAECGXNK-INIZCTEOSA-N 423.481 0.811 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccnc(N3CCOCC3)c2)cc1 521990689 RVWNGUVAEMWEED-UHFFFAOYSA-N 415.475 0.385 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 534603131 MRZFOURQBKSSGV-HNNXBMFYSA-N 400.504 0.941 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 552902247 HLCNIHQPMWJKLL-ROUUACIJSA-N 413.478 0.114 30 20 HCED C=CCN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 553230305 VZNKQQAXNHPPNF-HNNXBMFYSA-N 400.522 0.381 30 20 HCED C=C(C)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 555257528 UFQDHILRHYIDHK-UHFFFAOYSA-N 420.495 0.934 30 20 HCED Cc1onc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 559544807 KWWLMWJXFWVANV-UHFFFAOYSA-N 417.447 0.635 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C(=O)C(CC)CC)CC2)C1=O 559855274 OJYFUJPYVNYSJJ-QGZVFWFLSA-N 406.527 0.775 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)C2=O)cc1 564804886 VIOBJDLNJGPABD-GOSISDBHSA-N 420.473 0.905 30 20 HCED N#C[C@]1(NC(=O)CN(CC(=O)N[C@@]2(C#N)CCOC2)Cc2ccccc2)CCOC1 569779210 SYHADTJLTYUVKN-NHCUHLMSSA-N 411.462 0.086 30 20 HCED CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)c1 572656047 QCLDNQUDLJDMQI-UHFFFAOYSA-N 423.472 0.701 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCNC(=O)CC3CCCC3)CC2)c1 574744169 NYUNIWKHUDFXHS-UHFFFAOYSA-N 412.494 0.415 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 582289645 BLVDBFXCAKXQCQ-UHFFFAOYSA-N 422.283 0.586 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)CC2)nc1 587654955 VTNADLYLNUNJAM-UHFFFAOYSA-N 424.383 0.229 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ncccc3F)CC2)n1 589409395 YEERQMXKTKYSMP-UHFFFAOYSA-N 420.408 0.960 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 603591630 WEUGRVLQOHMQLN-UHFFFAOYSA-N 405.418 0.877 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603792628 AHHWVQUGDFIACP-UHFFFAOYSA-N 409.467 0.664 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2)c1=O 603795321 SVYVMYXGQXIHGT-UHFFFAOYSA-N 415.515 0.984 30 20 HCED CN(C)CCCN(CCC#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 604441811 FTHJYJBLMLHDLX-UHFFFAOYSA-N 421.523 0.115 30 20 HCED N#C[C@]1(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CCSC1 604544608 PHKOIBCLTZRYBK-OAHLLOKOSA-N 401.535 0.961 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609108092 LZBQRNWKZPBZPH-NVXWUHKLSA-N 404.492 0.289 30 20 HCED N#CCC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611677765 DDOJDDUIRWMSIG-ZBFHGGJFSA-N 422.463 0.871 30 20 HCED COC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 612483466 LWRLNWVADLOWQS-KRWDZBQOSA-N 408.524 0.652 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 612762885 FRVVDAFFBZCVJZ-UHFFFAOYSA-N 423.516 0.771 30 20 HCED Cn1cc2c(n1)CCC[C@H]2C(=O)NCC#CCNC(=O)[C@@H]1CCCc2nn(C)cc21 684979836 HSGJNRZLWANNCA-HZPDHXFCSA-N 408.506 0.929 30 20 HCED COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1-n1nnnc1C 726718710 AAERYOHCJONRNV-UHFFFAOYSA-N 421.421 0.413 30 20 HCED CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 727009822 AITYKVQWWYZBNM-RDJZCZTQSA-N 421.475 0.159 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2OC2CCCC2)CC1 728570926 PLTXSGSBVKBZMO-UHFFFAOYSA-N 412.534 0.991 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(C(N)=O)CCCC3)CC2)cc1 733760802 SXIMMEJYQIAIJF-UHFFFAOYSA-N 404.492 0.873 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(F)c(COCCOC)c2)CC1 742068550 UEECXYWLCFIVHN-UHFFFAOYSA-N 405.470 0.886 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1 742179856 UPXYSSNPXKVYQB-CQSZACIVSA-N 402.519 0.158 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 745478886 OQZLCXVKTDMROL-XHHISWJOSA-N 409.398 0.369 30 20 HCED COC(=O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 747208483 YTRFLDGTXYNYRV-HMMYKYKNSA-N 420.451 0.516 30 20 HCED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 748416630 GLEFGNBKCVWFLL-LBPRGKRZSA-N 421.413 0.996 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1C#N 752378393 LBMAWBWBKKEQKU-UHFFFAOYSA-N 416.482 0.819 30 20 HCED C[C@@H](CC(=O)NCC1(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 752729865 XNKWTGDGEDDDAK-LBPRGKRZSA-N 413.521 0.445 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)c1=O 754491355 WZVFBAAQQMOTLZ-UHFFFAOYSA-N 412.402 0.569 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c1 757950983 CUDPLYPKRCEQKQ-MJGOQNOKSA-N 402.472 0.813 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 761030749 LQXNVBFLTSZIRX-YJBOKZPZSA-N 415.943 0.864 30 20 HCED O=C(O)Cn1cc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)nn1 768476205 JMVWWLWULDQIPL-UHFFFAOYSA-N 401.496 0.825 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2nnc3n2CCC3)C1)c1cc[nH]n1 772231562 VDCAQSODGGGYAI-ZDUSSCGKSA-N 415.454 0.637 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H](C)c1nn[nH]n1 774001657 RITINQLOCUFCHL-OCCSQVGLSA-N 419.511 0.915 30 20 HCED CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCOC4)c3=O)ccc21 774542358 BVTROAVYHDGXIP-HNNXBMFYSA-N 420.494 0.882 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)C#Cc3ccc4c(c3)OCO4)C2)cc1 777428004 PGVWPNQRJCBAGT-UHFFFAOYSA-N 414.439 0.965 30 20 HCED C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccc(-n2cncn2)cc1 785396431 JMSZWMXDLLNVBW-AWEZNQCLSA-N 404.434 0.939 30 20 HCED COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787756689 QKPQCPVQLROGKQ-OAHLLOKOSA-N 401.467 0.919 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCC[C@H](C(N)=O)C3)CC2)o1 787825066 NXOSHHCLYDCPGC-KBPBESRZSA-N 403.439 0.338 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nnc2n1CCCCC2 793964163 DUHKUJJVDYLJFD-UHFFFAOYSA-N 416.507 0.792 30 20 HCED CCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 799998476 ZVEQFKBFHDIGEE-UHFFFAOYSA-N 409.512 0.874 30 20 HCED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1=O 801290337 BEXGNELCPCPMDV-YLJYHZDGSA-N 410.522 0.935 30 20 HCED C#CCCCS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 805050751 AYPSOXHQLYOCEP-UHFFFAOYSA-N 400.478 0.164 30 20 HCED C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387028 FVWFKMGUEGFBSB-HZPDHXFCSA-N 403.508 0.947 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CN1CCCC1 819837634 OVTSQGWUQRRSFQ-WBVHZDCISA-N 422.551 0.713 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821699811 KYBWKXYWYHLZOZ-UHFFFAOYSA-N 404.429 0.840 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)Nc1ncccn1 823691266 HLBLQUYKMQODHO-GFCCVEGCSA-N 403.420 0.853 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 912614764 CEXUNQMYPPJLQM-UHFFFAOYSA-N 408.459 0.958 30 20 HCED N#Cc1nc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)[nH]c1C#N 914535420 JROUHSDTTGSXLP-UHFFFAOYSA-N 416.419 0.621 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919649200 ZNCRIXHAIBMIQB-JSGCOSHPSA-N 420.443 0.305 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c(OCC(=O)N(C)C)c1 920187399 GPPZIWPIVSJLAE-UHFFFAOYSA-N 424.461 0.896 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nn2)C1 994743106 KROPRMPLVXYXQJ-IZGRHMBUSA-N 413.478 0.292 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CCOC)nn1 1003124529 JQXYTNQPBAUVAR-WGMGUUHVSA-N 403.483 0.767 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)NCCO)cc1 1137962111 QVOGKPLESHHQES-UHFFFAOYSA-N 416.459 0.476 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)C[C@H]3COc4ccccc4O3)CC2)c1C#N 1189272483 KIZDWRDYKOFILB-OAHLLOKOSA-N 417.491 0.892 30 20 HCED O=C(NCC#CCNC(=O)C1(O)Cc2ccccc2C1)C1(O)Cc2ccccc2C1 1324121023 MRUYJEKTYAMCPD-UHFFFAOYSA-N 404.466 0.282 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1543007111 ZPZRJVJWMIELSY-RDTXWAMCSA-N 421.527 0.428 30 20 HCED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1556454018 POTTWSAQNGUOFB-MRXNPFEDSA-N 413.931 0.787 30 20 HCED COc1cc(C#N)ccc1C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1565623729 LQNHJLWHOKHUGE-KRWDZBQOSA-N 421.519 0.918 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1711397283 JIHKMZHUNFMOBZ-UHFFFAOYSA-N 418.461 0.609 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741371837 MSKTZLDCFGYHNY-QAPCUYQASA-N 408.528 0.128 30 20 HCED CO[C@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749224780 KKBNLTMBNDRLKY-WMZOPIPTSA-N 414.514 0.878 30 20 HCED CCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1765450896 QPJKOLWGYIAGDU-QINHECLXSA-N 401.515 0.957 30 20 HCED CN(C)C(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768439206 HLYVCMOQWDNWBF-WBVHZDCISA-N 401.515 0.827 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1779103003 LTUXYGGWMXZIKU-PDQMUUICSA-N 418.450 0.293 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnn4cccnc24)CCO3)c1 1780334884 NSGIPEAFVOJYQL-FQEVSTJZSA-N 405.418 0.686 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3(c4ccc(F)c(F)c4)CC3)C2)C1 1780929142 ZPKRMCJPGMBTGU-FQEVSTJZSA-N 418.396 0.914 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1781736927 SZHKAVGQRBIYRY-IGMJJTELSA-N 406.483 0.311 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1781834948 SUBBVPFBHILDNX-VGSWGCGISA-N 423.473 0.749 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccc3nc[nH]c13)C2 1782010136 LGMCUASQWSRTJK-JLTOFOAXSA-N 411.418 0.173 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782796062 QAINHVWRGUKRSQ-NRFANRHFSA-N 409.446 0.733 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccc1C(F)(F)F)CCO2 1783561379 ONZVIFRXLNPJSM-KRWDZBQOSA-N 411.336 0.632 30 20 HCED CSCC[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783970775 NOPDWNJMBWNCGF-HNAYVOBHSA-N 412.556 0.212 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4c3CCCC4)C[C@@H]21 1784482059 DCSFSZZSXHEVAP-YEWFCNIMSA-N 414.506 0.920 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)C5(C#N)CCC5)C4)C3)(C1)C2 1785369623 LPBLPRAMBKJJNP-CBNMVNINSA-N 401.463 0.853 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C)nc3)[C@H]2C1 1785835083 FRSOEPHNJIQNPU-SZMVWBNQSA-N 416.478 0.888 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(O)n3)[C@H]2C1 1786045338 JPKDJDCRARCMME-ZOBUZTSGSA-N 417.462 0.890 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C[C@@H]21 1786367696 MTOVGFLHCMCNCA-WHOFXGATSA-N 416.390 0.830 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)c1Cl 1787426039 HLRXXJYBXAXHEY-TUUVXOQKSA-N 405.886 0.091 30 20 HCED Cc1nc2ccccn2c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791076458 GDOAAMBMYRIDRK-JYJNAYRXSA-N 410.430 0.324 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)O)[C@H]2C1 1791301954 VUHJEZUMYLOMJM-AVGNSLFASA-N 406.451 0.995 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791395254 LCHHBSAATXFCFC-ULQDDVLXSA-N 417.506 0.884 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)C1=COCC1 1791782574 JOZYYNRZIQGKCP-WDSOQIARSA-N 402.491 0.969 30 20 HCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(=O)Nc3cc(C)on3)C[C@@H]21 1792172039 KXUCSHHDUATHIV-JYJNAYRXSA-N 402.451 0.705 30 20 HCED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1C(=O)C=CC1=O)C2 1792921862 KMBUDIIDDBMIND-UPHUGPLXSA-N 415.490 0.660 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ncccc12 1796217032 SYZMKNUNTMEVTI-HGTKMLMNSA-N 414.466 0.962 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2ccccc2n1 1796826095 OKIFQMQNESHFBD-HGKCTWBKSA-N 424.505 0.819 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)N1C[C@H]2C[C@H]2C1 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C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832657669 JQMMRXSSLZEIAB-LJQANCHMSA-N 408.476 0.838 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832854204 FLKHLCGJMOYUMT-IFXJQAMLSA-N 411.499 0.928 30 20 HCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1833489988 BWPOUMCFZVWAEL-FUHWJXTLSA-N 410.584 0.791 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833876325 OAPNFFWOECXIRG-OAQYLSRUSA-N 401.463 0.259 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834608609 SHMORKPCGVZZNX-NRFANRHFSA-N 402.447 0.903 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835173227 ZQJRKDYGLCVEHQ-OAQYLSRUSA-N 402.447 0.990 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)nn1 1835359201 ZAPWJGXRTJNPKV-IBGZPJMESA-N 404.471 0.407 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(C)=O)CC2)CC1 1835717929 SQFBUEDOYPWISK-IBGZPJMESA-N 422.570 0.657 30 20 HCED 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N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCO1 409485489 OGZYIKFYIREAAB-BXUZGUMPSA-N 402.835 0.643 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 410138673 SUFFAIKIMXETQG-DLBZAZTESA-N 414.915 0.772 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccnn1CCc1ccccc1 448531108 QXDRKBBJWYIMLK-UHFFFAOYSA-N 406.450 0.990 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@H]1O 460693963 XGGPGDVWEJIQKS-AEFFLSMTSA-N 402.414 1.160 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCN(CC(F)F)CC1 460731022 XBWPAOUJTMLEAF-UHFFFAOYSA-N 417.420 1.185 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)ncn2C 465421621 LPWLWIOKDVMITC-CYBMUJFWSA-N 404.434 0.911 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)NCCCn1c(=O)ccn(C)c1=O 468174950 VHSIMHPJMGKVLT-UHFFFAOYSA-N 400.435 0.793 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)cc1 468517468 SESJLNWYLZPPPE-MRXNPFEDSA-N 414.491 0.855 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 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0.765 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](COCC4CC4)C3)n2)cc1 486709227 LBIMXKAQGRELPG-SFHVURJKSA-N 424.461 0.791 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn(C)c1=O 488681696 DJDVLDIXDMGBFK-KRWDZBQOSA-N 407.430 0.421 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)C2=O)cc1 502264724 HHJLHUSVPWMVCH-RCCFBDPRSA-N 423.473 0.439 30 20 HCED COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1OCc1ccncc1 508326292 QMSDZSZESAAMHM-UHFFFAOYSA-N 421.417 0.887 30 20 HCED CN(Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1)Cc1cscn1 508350249 PVOUPHHLWLIQHP-UHFFFAOYSA-N 424.490 0.993 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)ccc1Cl 515972974 HYZMWEJTMHVCBH-UHFFFAOYSA-N 403.826 0.100 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)C1CC1 522469750 OAQCDMBYVVPUFP-HXUWFJFHSA-N 418.519 0.656 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)n(CCC#N)n1 533002550 KWFKOBUKTQMMHN-QGZVFWFLSA-N 424.509 0.766 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)n(CCC#N)n1 533322395 LYGJBHTUSBFSOE-NRFANRHFSA-N 410.478 0.797 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 539271138 VBDNYRFOHLHEFF-ZDUSSCGKSA-N 406.464 0.515 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cn1C 543921403 NDEHUSHATJIRTO-UHFFFAOYSA-N 417.426 0.842 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CC2)nc1 551044791 YKESFPIMFMGFGG-UHFFFAOYSA-N 418.501 0.776 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)C1=O 554419698 SQPKVGCUPAPNQH-HOCLYGCPSA-N 402.426 0.293 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 559723061 LWRXVKHRFGEUPP-PAZMTAOXSA-N 413.430 0.687 30 20 HCED C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 572545596 XPBPNXSYLOLGMH-IYBDPMFKSA-N 412.560 0.893 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)cc1 574708073 UMPCKWQLWWEQQZ-HARLHBKBSA-N 404.488 0.352 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](CN4CCCC4)C3)C2=O)cc1 574719144 VXKWXDQXKSDHAS-VQTJNVASSA-N 423.517 0.720 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)C1=O 577987512 KOBNVVZEMXRLFB-HZPDHXFCSA-N 402.499 0.059 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CC[C@](O)(C(F)(F)F)C3)n2)cc1 590278965 KJDUMCUVXRMWDD-CXAGYDPISA-N 422.367 1.099 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2Sc2nncn2C)C1=O 599985323 MFMTYRILIKMHBZ-UHFFFAOYSA-N 400.420 0.882 30 20 HCED COc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 609329630 SUBKXOUSASDXSF-UHFFFAOYSA-N 422.507 0.434 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)o1 609671727 DKHPPUVVDRBIQE-QZTJIDSGSA-N 402.499 0.034 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)n2)cc1 611365642 LYLKJBQHDLORSA-QZTJIDSGSA-N 423.477 0.194 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)cc1 615645997 RBKBJAOICFKMIG-IBGZPJMESA-N 424.498 0.856 30 20 HCED C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 669816394 YKISPLOZDFZAIL-HUUCEWRRSA-N 414.532 0.087 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-c3ccoc3C)nn2CCO)C1=O 727315187 HMVHRQZZXZHPMN-UHFFFAOYSA-N 401.379 0.359 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 728570405 CDQKRAGXBXEREZ-MRXNPFEDSA-N 400.479 0.542 30 20 HCED N#CCn1c(CN2CCN(c3ncccc3C(N)=O)CC2)nc2ccccc2c1=O 728918476 ZDUGFXDLKJVIHB-UHFFFAOYSA-N 403.446 0.736 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C)COC2)c1 733050610 PXMXIRCCTCGKBO-RCCKNPSSSA-N 408.480 0.591 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)OCC(C)C)CC2)CC1 733149936 YWHCGPHQFRPMTL-UHFFFAOYSA-N 406.527 0.775 30 20 HCED CN(CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)C1=NS(=O)(=O)c2ccccc21 734570208 FSAGAERZQOBCEU-KRWDZBQOSA-N 412.427 0.709 30 20 HCED COCCN1C(=O)c2ccc(C(=O)Nc3ccn(CCC#N)n3)cc2S1(=O)=O 735453267 UPPIUHJLZJEEBH-UHFFFAOYSA-N 403.420 0.840 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cn1 746415523 XIXAZIADQURNST-CYBMUJFWSA-N 405.798 0.620 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)cc1 746553770 BUJIUIBCGXVNHB-UHFFFAOYSA-N 405.407 0.835 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)cc1 748750267 OMJLSAFYDZJTEJ-INIZCTEOSA-N 409.533 0.885 30 20 HCED C[C@@H](CC(=O)OCCNC(=O)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 750709833 WDDOFNMYEMDTBM-ZDUSSCGKSA-N 416.459 0.872 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1=O 751631576 GQVFMEUVOCHUST-CYBMUJFWSA-N 418.456 0.766 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1nnc(-c2cccc(C#N)c2)o1 756751912 YJPZEXVJLCLWOX-NSHDSACASA-N 416.419 0.752 30 20 HCED CN(CC(=O)[C@@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)C1CC1 759216656 OMTVWRNQDRTAIF-LLVKDONJSA-N 402.363 0.882 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 759255629 QBTRBYSIMDPSLK-UHFFFAOYSA-N 410.452 0.049 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C2CC=CC2)C1=O 759696126 GUSJKJTVFYARSP-OBAOGOGRSA-N 422.532 0.989 30 20 HCED Cn1c(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)nc2n(C)c1=O 760405795 NCZKMCHLLGWSOM-UHFFFAOYSA-N 419.463 0.166 30 20 HCED O=C1Nc2cc(N3CCOCC3)ccc2C1=NNc1nccc(N2CCOCC2)n1 762600189 JAFCMQVXFCAYJG-UHFFFAOYSA-N 409.450 0.918 30 20 HCED Cc1cc(F)ccc1-n1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1 767453594 LMFMVEPXIMGWPL-ZDUSSCGKSA-N 405.411 0.294 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1nccc2c(S(N)(=O)=O)cccc12 768622780 LHZVKULMNWFJRM-JTQLQIEISA-N 406.420 0.439 30 20 HCED C#CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 770394798 GBZGNHIFXINLMR-UHFFFAOYSA-N 409.508 0.892 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 774019807 WYSNALWRPJFFFZ-UHFFFAOYSA-N 401.444 0.909 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 783012109 DSMAZQAPQRPGFL-UHFFFAOYSA-N 409.508 0.828 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 784920684 IRXHQOGFTLLVRS-UHFFFAOYSA-N 421.475 0.279 30 20 HCED COCCOc1ccc(-n2nc(C)c(C(=O)NS(=O)(=O)CC3(C#N)CC3)n2)cc1 793195617 MZGNDFITAPDXTP-UHFFFAOYSA-N 419.463 0.964 30 20 HCED Cc1nsc(N2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 793447488 MFPNPALMFPAMFS-LBPRGKRZSA-N 400.551 0.892 30 20 HCED CC(=O)N1CCC[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 794021234 WLHMSIYFVKVYHN-HNNXBMFYSA-N 406.508 0.880 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3occc3c2)c1=O 795197134 HMXLAAUNLTYOJJ-UHFFFAOYSA-N 407.451 0.555 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)c2C1 796746177 QNGUZYSADUTHHN-AWEZNQCLSA-N 401.448 0.572 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 798037055 VDRUGQNICVBICT-MFKMUULPSA-N 410.272 0.990 30 20 HCED C=CCSCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 803209046 LDGQEOJYYHGJEC-UHFFFAOYSA-N 403.448 0.452 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 803937919 YUDJPKJYIJONOK-QGZVFWFLSA-N 420.491 0.773 30 20 HCED N#CCCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 805747261 ATGICXITYLFFBE-UHFFFAOYSA-N 401.492 0.961 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CCCO1 809304229 GLHZVBHNASDFIV-BBWFWOEESA-N 404.536 0.450 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 810778492 ATHHFDJKNLWVRS-OKILXGFUSA-N 414.505 0.567 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1COc2ccccc2[C@@H]1O 811577277 SUVXXZSZUYZIQS-IWEFOYFVSA-N 401.444 0.836 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)CC1 815439319 KNINUSFNCKPVNC-ZACQAIPSSA-N 404.511 0.668 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3cccnc23)c1=O 818201461 XMIZWSKWGLQPFT-UHFFFAOYSA-N 420.494 0.910 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ccc(C(=O)OC)cc2)c1=O 914782758 PAGHZXHUGCMAJV-UHFFFAOYSA-N 400.435 0.420 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1NC(=O)c1cc(C#N)c[nH]1 993619781 OFPPESSBBZPRBK-WWQSBEOESA-N 420.473 0.768 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1116401320 HDPPRMMZGAUUJE-UHFFFAOYSA-N 421.519 0.304 30 20 HCED COc1ccc(OC)c2c1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C[C@@H]2O 1136173006 VQUYYYJQVSUJRS-ZDUSSCGKSA-N 400.391 0.304 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CCS(=O)(=O)C2)c2ccc(Br)cc2c1=O 1251614602 HBWWTZRLAIDOPH-LBPRGKRZSA-N 424.276 0.939 30 20 HCED COCCCS(=O)(=O)NCCOC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1330615338 SNFAIEYDTROJDF-OAHLLOKOSA-N 409.464 0.410 30 20 HCED COCCN(C(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1343488481 DLIBQBLCCUYFHA-HNNXBMFYSA-N 410.496 0.733 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)CCNS(C)(=O)=O 1351626931 UAPVYIGDAFSQHD-UHFFFAOYSA-N 413.525 0.520 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(C)cn2)CCOC1 1516232297 UPLNTEWSWOIZBA-QFBILLFUSA-N 401.471 0.864 30 20 HCED Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1543317850 IHBNTYCKKWYALJ-GOSISDBHSA-N 422.493 0.027 30 20 HCED C[C@@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1545121775 XDQFQWYVOMVOOP-DNVCBOLYSA-N 405.478 0.677 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c(=O)nc1O 1610996533 KQKWGPSBEYKCMO-CQSZACIVSA-N 419.800 0.925 30 20 HCED Cn1nncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1618495807 UVQZTAHHVVWWSJ-GUYCJALGSA-N 404.500 0.487 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618730671 ITZSVTOUULZELH-CVEARBPZSA-N 402.451 0.661 30 20 HCED C[C@H](CC(=O)NCc1nc([C@H]2CCCO2)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1631293542 MZPDQYHESGJNSU-DGCLKSJQSA-N 418.479 0.790 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 1635343687 VPOLXSLJADCNLQ-UHFFFAOYSA-N 401.391 0.548 30 20 HCED CN(CCS(N)(=O)=O)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1644377925 MTFWATCXNGTODT-AWEZNQCLSA-N 423.539 0.576 30 20 HCED CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1723057220 BSGMKGKAHKJBOV-UHFFFAOYSA-N 420.481 0.693 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(O)cc1 1723954433 IWQSSVCLDMSQJV-WFASDCNBSA-N 406.468 0.371 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(CO)nn2)C1 1731183453 SQTVACUGWSAUGK-GOSISDBHSA-N 417.449 0.017 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1761544948 NPYOZONCFFKVCT-MAUKXSAKSA-N 423.539 0.852 30 20 HCED CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1764667111 WRILNNXXVWEYHI-BBRMVZONSA-N 412.498 0.865 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778015185 LDOXAXRWFYICBG-WAWZGNHOSA-N 418.450 0.054 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778553871 LLLPUXDOFPWUBH-FOIQADDNSA-N 404.467 0.700 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1778972504 WDARTOSJXZSPFD-QVKFZJNVSA-N 413.478 0.975 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(Cl)nc3Cl)C2)C1 1779420685 PYFUAEVOIRYNCK-KRWDZBQOSA-N 412.229 0.920 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1781264751 BUBKREVAJGPFRS-FQEVSTJZSA-N 402.451 0.738 30 20 HCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1781338153 VNVDQSGUXLYNMA-LIRRHRJNSA-N 410.471 0.006 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnc(Cl)c1)C2 1782010878 JAZUHPKTMJOUJS-FZKQIMNGSA-N 406.826 0.346 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ncc[nH]5)CCO4)C3)c2c1 1782194933 RBAKLOBTYXRATL-FQEVSTJZSA-N 405.418 0.915 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCOC2)C1 1782690916 RMTQGAMVOPNSFK-CBGDNZLLSA-N 406.527 0.819 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnn1 1782762278 LPAXBYHHXOVZIB-DBLWUSGISA-N 403.487 0.141 30 20 HCED CCS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1783016913 CYZIYUQAMPDMPM-FQEVSTJZSA-N 419.503 0.766 30 20 HCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1C(N)=O)CCO2)C(F)(F)F 1783206904 YEZPLSJFEKPQER-MRXNPFEDSA-N 413.356 0.138 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783442120 ZVHLORWLBHARNR-NUDUCMMGSA-N 404.463 0.198 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1783893752 FMWOWZCXIJITNY-NJSLBKSFSA-N 406.508 0.348 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1784497292 GMKIIFDXPFVVML-VSDLEHRUSA-N 416.526 0.821 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1784531856 PPTNPSHLZCMIIG-PYJNHQTQSA-N 410.496 0.436 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1785382920 GKPOANREEFEZIE-FQEVSTJZSA-N 400.435 0.032 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C3CCN(CC)CC3)C2)C1 1785639705 SKLGHCYNUXEWPJ-QJKPHDSHSA-N 418.538 0.407 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)ncn3)C[C@@H]21 1788569938 GJYRGAGINCXEQW-SDADXPQNSA-N 404.467 0.349 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1788653110 UWAPJAHFNUTRSF-QFCUHJEHSA-N 403.479 0.909 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584159 XVEUBMSCUXHTRW-BZSNNMDCSA-N 400.479 0.417 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791079013 TZHTXUBGBDLNPM-WBAXXEDZSA-N 411.414 0.248 30 20 HCED Cc1ccn(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)n1 1792558730 MNSKJAVEDFVRLJ-HATOLVCRSA-N 407.474 0.896 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3c(c1)CCO3)C2 1793347906 OZZNXQRTHFBMNY-HCBXPFHNSA-N 412.486 0.792 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1793351064 CXIOLHWJTCIKEF-PDOICOKGSA-N 417.510 0.849 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1793380312 RLWOFVOTMBVKNZ-DACLVMHWSA-N 422.551 0.679 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1793597019 XNOFJZHPBBSNHN-JONQDZQNSA-N 412.556 0.587 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncccn1 1794816268 DQSUUWVXHGWNIU-HGKCTWBKSA-N 407.430 0.630 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccc(C)cc12 1796269264 OKOBPWCQWFSTKH-PDOICOKGSA-N 410.474 0.884 30 20 HCED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1796585897 MBNVVQIWXOKMKG-HATOLVCRSA-N 422.485 0.784 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CN)c1ccccc1)C2 1797708172 ICYABQAEFVFZLQ-YHDCXSKOSA-N 415.534 0.892 30 20 HCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)cnn1C 1797738880 FRBSUIYYWWYUJC-UFVVLBOUSA-N 402.499 0.403 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)O1 1797812251 OXRCZHJIEAJOQM-NOVOVNMGSA-N 409.483 0.673 30 20 HCED CC(=O)N1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C#N)CCC2)C3)CC1 1797935317 YXYXAARNGYOQCZ-BCDXTJNWSA-N 401.511 0.483 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](CN)c2ccccc2)C3)c1 1798694052 VJMCRTGPXYPTEG-DMUMMCEESA-N 407.474 0.832 30 20 HCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2CC(O)C2)C3)c(C#N)c1 1799238011 SWFBPMFEVFTGNW-NJNGRGDJSA-N 413.474 0.470 30 20 HCED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799644861 NYKXBXPDZSIZDR-IZZQQSIFSA-N 419.503 0.391 30 20 HCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1801167208 WYKXVOIIMIWUBL-ZSBFGKGUSA-N 400.435 0.572 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCCC2=O)[C@H]1c1cccnc1 1806920085 WLXLOJNVOYHXCU-PLMTUMEDSA-N 412.490 0.748 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812874264 SUAQREHCFUUIJW-FRIZHTMISA-N 400.435 0.090 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cccnc1 1812877836 QENWSSNOKBYMOH-FZKQIMNGSA-N 411.374 0.726 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819441876 OMIJJGFDBDTBMF-KKVAFCGZSA-N 419.482 0.091 30 20 HCED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)CCC1 1819892051 DEDMMADGAPMFNK-MLGOLLRUSA-N 419.507 0.400 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822201961 ZVDLLQKEIXSWHO-WCQYABFASA-N 404.427 0.197 30 20 HCED COc1cc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)n(C)n1 1825478547 IQTZTPXMTOEUAB-HNNXBMFYSA-N 402.451 0.750 30 20 HCED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(C#N)cc1)CCO2 1829630014 NGJGRAOTMGEODV-QFIPXVFZSA-N 415.490 0.984 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)n4ccccc4=O)C3)C2)C1 1829669157 QDBUFGFWCHENTN-HTAPYJJXSA-N 415.490 0.832 30 20 HCED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)C1 1829907328 HMDDAWRAWUVREI-QFIPXVFZSA-N 412.490 0.119 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/C1CC1)CCO2 1830781760 AZHGPDCKRABXHE-LQKJRECLSA-N 403.479 0.267 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C)n3)C2)C1 1831391543 QJOKHWJJTXEVQK-UTKZUKDTSA-N 401.463 0.498 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831406453 PSAJONTYSOLIMF-HXUWFJFHSA-N 406.483 0.473 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1831488023 VCEFKMXVZULSII-MJGOQNOKSA-N 410.540 0.373 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831669279 QWLCPSWWTHMVLW-IRXDYDNUSA-N 418.519 0.721 30 20 HCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)CCC#N)CC3)CC2)CCC1=O 1833688666 AFAAPRXIDDRDPI-UHFFFAOYSA-N 402.499 0.470 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)c3)CCO2)C1 1833851564 NVCBTIHUDMJOHL-UTKZUKDTSA-N 405.495 0.668 30 20 HCED Cc1ccc(OC(C)(C)C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)nc1 1834765421 FUWCEQLQUIWILS-NRFANRHFSA-N 416.478 0.918 30 20 HCED COC(=O)c1ccc(C(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)cn1 1835166514 BVAABLZZDDRGQC-UHFFFAOYSA-N 413.478 0.967 30 20 HCED CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835339858 VREOSRWOACAHNO-NRFANRHFSA-N 404.511 0.478 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)s1 1835341984 HDZWBOARFSRUBN-SFHVURJKSA-N 405.480 0.149 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)CC1 1835342293 PSICULWJZFAMJJ-HXUWFJFHSA-N 410.434 0.103 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)nn1C(F)F 1835358712 IDBDKUCRVVVZJB-SFHVURJKSA-N 411.409 0.960 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835789358 KJSLVKOPPDBOFA-LJQANCHMSA-N 424.523 0.778 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419593 NZQNBNUBDGKULE-OAQYLSRUSA-N 417.462 0.756 30 20 HCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)cnn2c1 1836946948 HMRQAPSCTXAIDF-FQEVSTJZSA-N 412.450 0.412 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1837394978 MYNLPJDVDWYWJQ-UTKZUKDTSA-N 419.478 0.430 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1837525291 TYTWGYBRZJWRCB-DOXZCSRISA-N 421.450 0.879 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1838062736 DPROUEOESHBYLM-IBGZPJMESA-N 408.455 0.168 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839222104 CRXBKDBDSCNRHL-SYNHAJSKSA-N 423.466 0.570 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)n1ccnn1 1839709798 SNHPXAVQLLUYJT-IIBYNOLFSA-N 424.461 0.481 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)CC=C)CCO2 1839838007 FBEHGRIXIXTWGS-DCTNLQOOSA-N 405.495 0.513 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1)C(F)(F)F 1839891457 GHVRBOULKFEOSF-QGZVFWFLSA-N 416.400 0.917 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839999631 MMYWAVOONBEJAE-QVKFZJNVSA-N 420.531 0.939 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840155889 FZUYLJYVPYEUCM-MEDUHNTESA-N 400.888 0.518 30 20 HCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ccn1 1840160465 HYGSYHFPBUDWRV-YJYMSZOUSA-N 422.507 0.428 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840168832 URFIEKZZTWEVAA-WHOFGVDJSA-N 421.494 0.775 30 20 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CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cnc(OCF)cn2)C1 1842243890 KTGMBDFTIFRIPY-UHFFFAOYSA-N 404.446 0.881 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843105431 JXIWMDMQROPSAR-HOTGVXAUSA-N 405.495 0.974 30 20 HCED CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)CC1 1844258643 CFYDMBDUJHMBIS-CJLVFECKSA-N 404.559 0.299 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3cc(C)cc(C#N)c3)C2)CC1 1845522585 SJCFULIIOQIEQG-UHFFFAOYSA-N 423.517 0.848 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@@H](C(=O)N3CCCC34CN(C(=O)CC#N)C4)[C@H]2C1 1846160992 FFFAUDYFGCGFAJ-BZUAXINKSA-N 418.494 0.985 30 20 HCED C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29253752 OSNQIMGHESXGBS-CYBMUJFWSA-N 400.483 0.658 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnn(C)c2)c1 147665628 UKGHUXPHFWITCB-CJLVFECKSA-N 418.479 0.488 30 20 HCED CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CC)C[C@H](C)C#N 409556699 YVUDWRRUDBOWTD-CVEARBPZSA-N 408.590 0.544 30 20 HCED 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WCGNGFIVGOMIME-UHFFFAOYSA-N 417.447 0.740 30 20 HCED COc1ccc(CC(=O)OCCOCCC#N)cc1S(=O)(=O)N1CCOCC1 815167729 MYFAMAFSFGTRQY-UHFFFAOYSA-N 412.464 0.732 30 20 HCED CN(CCOC(=O)c1cnc(C(F)(F)F)c(C#N)c1)S(=O)(=O)N1CCOCC1 815944303 WEQQDWQVRCPOPA-UHFFFAOYSA-N 422.385 0.638 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCOCC2)CC1 816509491 RWYIVKLDIWTLLT-INIZCTEOSA-N 420.535 0.829 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCN(O)C1=O 816755325 XXBSMANJJCVERE-OLZOCXBDSA-N 419.500 0.722 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC(C#N)C1 817555029 UHEXYPUSOGASDS-OJXHRBAXSA-N 411.505 0.362 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 915785078 GOXMQSUYOKFPPN-UHFFFAOYSA-N 422.445 0.592 30 20 HCED COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)cc1 920398033 BFSFHPSGLXXZPP-UHFFFAOYSA-N 408.483 0.990 30 20 HCED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1116119758 NTZQHYHZXHGXDP-WGKGOADCSA-N 407.423 0.246 30 20 HCED CC(C)CC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1116291093 FZKMJVZFAFIBKO-OAHLLOKOSA-N 406.508 0.942 30 20 HCED Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cn1 1298805302 SEBTXMXBRCYKJA-SFHVURJKSA-N 419.511 0.358 30 20 HCED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1305304162 BKAKPUNULXUSIU-ZQIUZPCESA-N 414.532 0.510 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1316531926 VBZAWCAPOFSQLW-UHFFFAOYSA-N 424.490 0.539 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1319284935 ZVVAGZJZERZUKO-HIFRSBDPSA-N 404.492 0.742 30 20 HCED C=CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)OCC 1323844953 MHPMFTBWIGASDU-OAHLLOKOSA-N 409.464 0.045 30 20 HCED CNS(=O)(=O)c1cccc2c1CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1325970761 RFOFVVQFNYPBAE-HNENSFHCSA-N 418.475 0.396 30 20 HCED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1352007735 DZBFWGAGOGRQFY-ZIAGYGMSSA-N 417.557 0.274 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1539804197 SIMYGKHWKMINCU-GFCCVEGCSA-N 410.949 0.804 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)n1 1543067670 VXZGRXRQHQURDS-HZPDHXFCSA-N 419.511 0.303 30 20 HCED CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1618303958 SKFGNVMOIXAEJE-UHFFFAOYSA-N 407.482 0.762 30 20 HCED COCCN1[C@@H](C)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C 1627474286 KVRJDDOWYQXJLQ-XHSDSOJGSA-N 408.524 0.793 30 20 HCED CCC[C@@H](O)[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642392432 NPIQDRXDHKXOOQ-QZTJIDSGSA-N 409.508 0.597 30 20 HCED Cn1ccnc1[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1654637560 MTWPRMNJZMIZPY-HOCLYGCPSA-N 403.464 0.607 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCSC1 1706850801 WTLQLNPHRKNIFS-TYNCELHUSA-N 402.546 0.495 30 20 HCED CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1710902333 OZEUESPGPHDZTO-QGZVFWFLSA-N 407.475 0.645 30 20 HCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1749850821 IGTNANCVZUFRJH-NRFANRHFSA-N 409.494 0.552 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1752450759 URNJQUQOBJCXKW-URLQWDBASA-N 423.539 0.850 30 20 HCED COCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1769792507 OJCFXQDXUVQEAF-MRXNPFEDSA-N 424.571 0.888 30 20 HCED Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nc2ccccc21 1777886959 NQEUHLCXPLVHTA-QHCPKHFHSA-N 420.469 0.790 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779955144 AEBPKAMGJNAWAD-APPDUMDISA-N 408.505 0.518 30 20 HCED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181686 FNINSSRIEBIXSQ-YLJYHZDGSA-N 401.467 0.540 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@]4(CCN(C(=O)c5cc(C#N)c[nH]5)C4)C3)(C1)C2 1780335933 QVJIXPUBVVLRSE-CBNMVNINSA-N 412.446 0.673 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782239135 QIISALXNGSBNKG-UEKVPHQBSA-N 411.446 0.497 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1)CCO2 1783046694 MVHYXVXVCYAYHZ-FQEVSTJZSA-N 421.494 0.212 30 20 HCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCCS2(=O)=O)C3)CCC1 1783128068 RUPGAXYCDWLRKG-RZQQEMMASA-N 423.535 0.771 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccs3)C[C@@H]21 1783530298 QGKAUKZVBXDILW-LSFZBXBFSA-N 404.492 0.595 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1786860649 MPVIPGOZOQSARK-ULQDDVLXSA-N 401.511 0.942 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4ncon4)[C@H]3C2)ccc1F 1789088419 CLFGLZQSVOFDJW-QRTARXTBSA-N 413.409 0.916 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)[C@H]2C1 1791439492 VOFKXIRJEHTVKP-JONQDZQNSA-N 419.478 0.525 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccnc1OC)C2 1793340210 AMPQOMDGHYGLFG-PHXBYCTMSA-N 415.490 0.651 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccccc1 1795385563 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C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](CC)NC(N)=O)CC2)C1 1804853525 HCMTXRDCNLXQPL-WLMCBFPDSA-N 419.526 0.523 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810361676 VKPAHEVXDHIOMF-OSGXGRJZSA-N 416.522 0.950 30 20 HCED C#CCCCC(=O)N1CC[C@H](CNC(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1812716854 VUAJVUQLUWXBMS-DENIHFKCSA-N 416.522 0.178 30 20 HCED CC(C)(C#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1814568037 AXECVFXBXZJUOF-CYBMUJFWSA-N 423.437 0.996 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CNC3=O)n[nH]2)c1 1815598472 XVUQFJYDPPKHJJ-CQSZACIVSA-N 424.421 0.467 30 20 HCED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC#N)CC2)[C@H]1SC(=N)NC1=O 1817252942 XHYKXLKOZXTJML-JOAULVNJSA-N 406.493 0.771 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819877872 XUUUKDPFHRUDHZ-VFVRVIDISA-N 424.523 0.297 30 20 HCED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)CC2)CC1 1824966214 RCUPHYHCUQBXIV-HNNXBMFYSA-N 401.467 0.462 30 20 HCED Cc1nc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c(=O)[nH]c1C 1825664043 OUOUTCPKHNNBHZ-SNVBAGLBSA-N 415.431 0.157 30 20 HCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C3(C#N)CCC3)sc2C1 1828013284 NEVJUXUXTKTWDQ-OCCSQVGLSA-N 419.507 0.900 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H](N)c4cccnc4)C3)C2)C1 1829667279 XZBPWIGQBURTBS-SIKLNZKXSA-N 414.506 0.894 30 20 HCED COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829927517 CTKBFYVSUKIEAJ-QFIPXVFZSA-N 415.490 0.982 30 20 HCED COCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830476020 XZCPXEBZNCJKCT-JOCHJYFZSA-N 400.475 0.921 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831481591 AMGHMYJMWRQHRS-BXWFABGCSA-N 415.556 0.312 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)no1 1831499306 TZSBIXFJBCOZGO-HKUYNNGSSA-N 411.524 0.936 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831748296 OVPAWMXNNKRXPE-KSSFIOAISA-N 410.496 0.181 30 20 HCED 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30 20 HCED C#C[C@@H](NC(=O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCO1 787094253 UWRLYUINEYGLNP-MSOLQXFVSA-N 401.438 0.844 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 789110580 MUCYTOOUUHPMIK-KUHUBIRLSA-N 414.418 0.243 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 796184840 SXMDGLURQXVZRI-UHFFFAOYSA-N 414.505 0.998 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 799283888 SHQLNIRTAQFLGN-KRWDZBQOSA-N 407.430 0.373 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 799284239 BRWYRQNZNJUDNK-MRXNPFEDSA-N 407.492 0.690 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCS(C)(=O)=O 800773884 NDMSYRLNTZVEFY-UHFFFAOYSA-N 412.541 0.905 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC3(C#N)CCC3)ccc2F)CC1 800921725 BVUHOAFBKFOHDM-UHFFFAOYSA-N 408.455 0.855 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)NC(=O)OC(C)(C)C 804046407 VZBNVAKNKUWVLF-CQSZACIVSA-N 416.482 0.631 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)nc1 806088095 MFWBOBCMZISYHK-DLBZAZTESA-N 400.483 0.241 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 807376236 QXHPXTXKWHKLPD-CQSZACIVSA-N 411.455 0.707 30 20 HCED COCCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 807437413 KWCNDROQXCCXHY-HMMYKYKNSA-N 412.468 0.522 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)nc1 807918089 GXLVQJHXDVMYSG-LJQANCHMSA-N 422.489 0.364 30 20 HCED CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 808036651 FMRORQWYJVWTBD-GDBMZVCRSA-N 416.482 0.855 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)nc1 808148432 XFAKSDPRARYLBH-MRXNPFEDSA-N 424.436 0.932 30 20 HCED CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 815562245 AFHGRZCMUVSYGS-UHFFFAOYSA-N 408.418 0.959 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(C(N)=O)C1 816597986 MHBRCDXBIGWKLV-ZFWWWQNUSA-N 421.523 0.801 30 20 HCED CC(C)CN1C(=O)/C(=C\NN=C2NS(=O)(=O)c3ccccc32)C(=O)NC1=S 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30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)CC1 1611771839 CQKICFYKYMUYOJ-AWEZNQCLSA-N 421.527 0.395 30 20 HCED CCCOc1c(OC)cc(CCNC(=O)Cn2cc(C#N)c(O)nc2=O)cc1OC 1624307984 MTLMHJZMVSCSKO-UHFFFAOYSA-N 416.434 0.985 30 20 HCED N#Cc1cn(CCC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c(=O)nc1O 1629008036 OTNUPUFTUFFXMF-QGZVFWFLSA-N 415.425 0.539 30 20 HCED CCc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)no1 1694590067 YCYVZDIXZXCBTI-PXAZEXFGSA-N 423.474 0.810 30 20 HCED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1696689543 RMNQIVLBIBRXJC-UHFFFAOYSA-N 406.454 0.480 30 20 HCED CN1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1696876081 KOTWCDZZYDHERZ-UWJYYQICSA-N 409.494 0.804 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705752977 MQZSADUFQINSJM-AWEZNQCLSA-N 407.906 0.382 30 20 HCED C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1741955510 VUKNKQACHHSZLL-IYOUNJFTSA-N 402.480 0.927 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1751095104 UAZGNGJLUPVMIC-HZSPNIEDSA-N 415.541 0.353 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778261632 JQMRUVLLCVWAEZ-SIKLNZKXSA-N 404.555 0.832 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778895697 JFFOFOOJUJQFAG-LJQANCHMSA-N 424.375 0.974 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1779020260 LNNVHPDIUJMKHB-TTYLXTBDSA-N 403.483 0.827 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779132679 HKTMYSPGBNYGDA-PQFJRTDJSA-N 414.462 0.387 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnc3ncccn13)CCO2 1779136377 PWJUDTUOQWLTSU-FFCJBUTOSA-N 422.445 0.885 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)C1 1780056046 PCUXAZCWUPYWTB-NRFANRHFSA-N 409.446 0.499 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780102018 QUYYKALRBRKBOY-NRFANRHFSA-N 403.479 0.812 30 20 HCED 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QUUUAIUATKSAJQ-GJZGRUSLSA-N 417.514 0.815 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1830641304 VYWQRULULCGNCX-VGOFRKELSA-N 419.522 0.902 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1C 1830945528 MGNSKUKYFHGZSR-OAQYLSRUSA-N 400.479 0.141 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1831413441 YNSBIWHKZOXPAC-OAQYLSRUSA-N 410.511 0.852 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1831425325 SYUMDOLXTNOFRT-RXVVDRJESA-N 409.527 0.520 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnc(F)c4)CCO3)C2)CCC1 1831910686 RRKPUDUXMDLVFH-FQEVSTJZSA-N 402.426 0.985 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831967603 KZYPOEOAZXALDD-APPDUMDISA-N 401.435 0.748 30 20 HCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1833489990 BWPOUMCFZVWAEL-SJLPKXTDSA-N 410.584 0.791 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3C)CC2)CC1 1833581042 IHKLPDGIOMKRBH-KRWDZBQOSA-N 415.538 0.952 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3C)CCO2)C1 1834062900 QPSJXQNYNOQALC-UZLBHIALSA-N 407.467 0.953 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834211541 PPNXYLPQONSAOY-IFXJQAMLSA-N 408.455 0.854 30 20 HCED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834720828 WJTPKTULHDRKNF-HXUWFJFHSA-N 403.410 0.285 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834776002 AIYLOSHLGKOYJL-LCCNJJIFSA-N 406.479 0.756 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c4nccc-4c3)CC2)CC1 1835014841 KYSQITRQAZEWQO-UHFFFAOYSA-N 423.473 0.788 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)C1 1835675441 RGSYDXZBAPJLRL-SPEDKVCISA-N 418.538 0.771 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836013820 DOUKDGJLVRLVMC-GCJKJVERSA-N 419.522 0.977 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1837559703 CACYDHXHPIQZNT-HBRDKIMXSA-N 402.407 0.457 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2)C(F)(F)F 1838377346 XLQWJXARCOBUQH-MRXNPFEDSA-N 416.356 0.371 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838735096 VUZOZHKCPBSORG-OAQYLSRUSA-N 409.446 0.974 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1838904916 GVSVKJQCQSHANL-NRFANRHFSA-N 400.431 0.461 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1839173954 XEFGTEKUECFHGZ-IBGZPJMESA-N 407.423 0.254 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839223442 VPZOIUSHNQZVEW-ABSDTBQOSA-N 410.515 0.338 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1839224417 ROERGQKUMAFSPF-IFXJQAMLSA-N 408.455 0.854 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3scnc3C(F)(F)F)C2)C1 1839806579 FITSPRZWLDEKSI-HNNXBMFYSA-N 403.382 0.865 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839906661 GYUNCRMSCRTGBW-VGOFRKELSA-N 416.474 0.429 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840191424 YAHRCDOXHDJEBS-NVXWUHKLSA-N 420.553 0.215 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)CCC1 1840813005 YDFIEWQNDZMMMT-DYESRHJHSA-N 413.478 0.232 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1841598734 YCJCRGCKQYSVCL-ZDUSSCGKSA-N 401.492 0.883 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)c1Cl 1842945516 BOSUNMQWNLIDLU-CQSZACIVSA-N 403.870 0.621 30 20 HCED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414708 UNXUAYPEJHCJIK-UHFFFAOYSA-N 405.467 0.827 30 20 HCED O=C(Nc1cccnc1)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283139 ULRUOGNKVXLBOR-UHFFFAOYSA-N 410.474 0.922 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c(F)c(OC)c1F 1845479031 DYCCGOVNBXTSGK-UHFFFAOYSA-N 408.357 0.887 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cccc(=O)n1O)C2 1846979335 KRUYEWZKONFCID-UHFFFAOYSA-N 408.414 0.853 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1=O 51322842 DTWHUJYBUSEGJX-INIZCTEOSA-N 411.462 0.571 30 20 HCED COc1cc(OC)cc([C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2nccn2C)c1 409533551 FFIUCLDFKZXAQB-IRXDYDNUSA-N 421.479 0.585 30 20 HCED C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)N1CCO[C@H](C#N)C1 409537711 RIALASOCKQUSPH-ZIAGYGMSSA-N 421.479 0.151 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCO1 409597689 SRAOGFBRUQWRAL-OAHLLOKOSA-N 403.464 0.395 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 410109009 YPNOFILNQWLVDI-KRWDZBQOSA-N 422.507 0.511 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCO1 410150962 DWWLAZPUWHVHTO-SFHVURJKSA-N 406.508 0.526 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 410399152 DEKNLIYFTUJQDM-HNNXBMFYSA-N 409.578 0.307 30 20 HCED N#Cc1cccc(CCNC(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)c1 440148385 ILUFJTIYNXOWLC-UHFFFAOYSA-N 406.398 0.745 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CN(c3ccccc3)C2=O)n1 441332065 IUPNJIZEJFUGNK-INIZCTEOSA-N 418.388 1.353 30 20 HCED CNC(=O)Cn1cnc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 460596264 BHFXDOWEVRAOEG-UHFFFAOYSA-N 424.421 0.999 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 460716146 CHPACBATHGJAFT-LSDHHAIUSA-N 423.477 1.292 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@H]3CCCCNC3=O)ccc21 471045431 SSIOKOOPPCGJSB-INIZCTEOSA-N 411.462 0.993 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473687605 XNEOADVSMBJWFZ-QGZVFWFLSA-N 404.492 0.543 30 20 HCED C=CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 475263116 IISSNTIAHUBYIR-HUUCEWRRSA-N 403.483 0.882 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]3C(=O)NC3CC3)n2)cc1 484221395 MDBADHVUKJYIPM-MRXNPFEDSA-N 407.434 0.406 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@]2(CCCOC2)O1 485277977 YEFCUJWGPLIDAY-BTYIYWSLSA-N 424.461 0.933 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCN3CCC[C@@H]3C(N)=O)C2=O)cc1 486488928 PDEYMYHOEAQWAF-QZTJIDSGSA-N 412.494 0.298 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccncc3)c2=O)CC1 489000780 HAXHSTFFSOEWNH-MRXNPFEDSA-N 424.526 0.680 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 489201253 MFVVSRURNAWXCP-MSOLQXFVSA-N 418.519 0.837 30 20 HCED Cc1ccc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)cc1S(=O)(=O)NCC#N 499693514 JRKYPVXYELMLNL-UHFFFAOYSA-N 402.480 0.478 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)c1 501146125 MMFQIGYMLBFWFI-HNNXBMFYSA-N 409.464 0.045 30 20 HCED C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2c(C)cnn2C)c1=O 505666892 ZTPIKSULLSCHOF-UHFFFAOYSA-N 406.471 0.675 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506336462 DZJDISRTFKITID-IERDGZPVSA-N 422.526 0.640 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 509248254 NQBQUASWMRXIFX-KBPBESRZSA-N 412.516 0.444 30 20 HCED CN(CC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1)S(=O)(=O)c1ccc(C#N)cc1 509883009 DZRRQMJSAMPGNB-OAHLLOKOSA-N 414.491 0.957 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 510975797 HSNUWTUNGCGTSQ-QGZVFWFLSA-N 423.477 0.901 30 20 HCED O=C(NC[C@@H]1CS(=O)(=O)CCO1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 511452697 DCZAZSPPKJWWBX-LJQANCHMSA-N 412.467 0.955 30 20 HCED Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)c(C)c1 511919279 LDSMKXCMDKMHEH-MRXNPFEDSA-N 401.467 0.564 30 20 HCED CN1CCC(O)(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513163461 CUWAKAKPHCQYQY-UHFFFAOYSA-N 400.414 0.394 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n1 513551652 DJANLHXOJGSSNP-UHFFFAOYSA-N 408.397 0.994 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(OC)nc1 532140491 KXFMAUSOAHJWMQ-UHFFFAOYSA-N 407.455 0.255 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 546708193 XEHAERKOGGNDHB-UHFFFAOYSA-N 412.402 0.694 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)c(Br)c1 549251768 OKLRASFHTTZXFW-UHFFFAOYSA-N 409.283 0.502 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccccc2OC)N(C)C)C1=O 549987489 OBMJYDZBULYCDK-SJORKVTESA-N 402.495 0.659 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCC(=O)NCC#N)cc2)C[C@@H](C)O1 558227837 VSAZEPZWDOASQR-BETUJISGSA-N 409.468 0.246 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 561980636 ZLPZQBJJNCJJKZ-OAHLLOKOSA-N 422.457 0.478 30 20 HCED C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 571813446 KFEWTIRHRNLDOI-AOAWJKDVSA-N 419.463 0.338 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 571953133 RJPDTXFQZFOTOK-IHPCNDPISA-N 401.507 0.967 30 20 HCED C[C@@H]1CN(CCOC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C[C@@H](C)O1 577525513 MZKGVWYEPUPAER-HZPDHXFCSA-N 405.503 0.450 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 588290335 GASRYKFOAMCLNA-NSHDSACASA-N 400.482 0.385 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)n1 588765429 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CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)CCCN2CCOCC2)C1 766077632 PMWJUHRIFDRIFW-GJZGRUSLSA-N 402.517 0.387 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 767676304 AOKMZWYDKHCWHG-MCIONIFRSA-N 409.464 0.404 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1cc(=O)n2ccsc2n1 769178330 AUXXAWNBDFODPD-UHFFFAOYSA-N 404.429 0.649 30 20 HCED C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 770798949 BHVBJNZZSHXNSW-SQYQYFNMSA-N 422.507 0.881 30 20 HCED O=C(O)C[C@H]1CSCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776623188 GCJZXDXGIAAXJU-LBPRGKRZSA-N 411.505 0.924 30 20 HCED N#Cc1ccc(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 778116742 UKXMTUMIIUGBND-LBPRGKRZSA-N 411.461 0.206 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@@H](Cc1ccc(F)cc1)C(N)=O 785140048 SVORWAFLVBNZHS-HNNXBMFYSA-N 405.407 0.615 30 20 HCED COC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 785183217 BYEXKKSKTSPYQP-GFCCVEGCSA-N 414.436 0.420 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1 786443215 UNLYPTDMPWRYNP-CEZZIEKDSA-N 421.454 0.902 30 20 HCED CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)NCCNc1ncccc1C#N 787774808 LBBAKODJMFFLAM-UHFFFAOYSA-N 415.475 0.543 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 789809091 KKNSLYIMELYIQW-OAHLLOKOSA-N 406.464 0.554 30 20 HCED CS(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 791474182 YBVPKJCCAIYBAQ-UHFFFAOYSA-N 408.457 0.983 30 20 HCED Cn1ncc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 793124081 IZUGLFSNVVKBFU-OAHLLOKOSA-N 416.463 0.951 30 20 HCED CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 793607538 RCDIAXWZPBDRIZ-OXQOHEQNSA-N 409.450 0.955 30 20 HCED C[C@H](C(=O)OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cnc(C#N)n1 798825380 DFCKYIBJQUOYSS-SNVBAGLBSA-N 403.424 0.581 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 799076354 LAIRSGCOCYPKNA-ZIAGYGMSSA-N 412.464 0.500 30 20 HCED 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CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1316352328 RAFLDVMHQKPESI-LSDHHAIUSA-N 417.495 0.350 30 20 HCED CN1CCN(C(=O)CN(C)C(=O)COc2cccc(Br)c2C#N)CC1 1470693994 PKTXRLWGFBMDQD-UHFFFAOYSA-N 409.284 0.932 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1525838261 NMRQALQACWZOIW-UHFFFAOYSA-N 420.491 0.788 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccn1 1541927826 QLBPKYCQGKNPCG-SUMWQHHRSA-N 407.475 0.968 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CC2)c1C#N 1556216937 JYUOVMLAYIYBCQ-CQSZACIVSA-N 406.487 0.525 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCc1ccc(C#N)c(Cl)c1 1568095156 CHUOPKWPDPOIIP-UHFFFAOYSA-N 400.888 0.662 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1570695373 QTSGGWGIQUDOEJ-ZRGWGRIASA-N 407.492 0.975 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1CCS(=O)(=O)CC1 1608353223 XHGHQAZWIZJZOV-UHFFFAOYSA-N 408.528 0.981 30 20 HCED COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 1663316309 OMJJFMDFTWKTRY-UHFFFAOYSA-N 421.475 0.626 30 20 HCED N#Cc1cn(CCNC(=O)NCc2cccc(CN3CCOCC3)c2)c(=O)nc1O 1666995186 WZJYGUHADJPXRJ-UHFFFAOYSA-N 412.450 0.152 30 20 HCED Cc1ccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1707315544 KDHPZNWDONCSDI-IAGOWNOFSA-N 423.477 0.696 30 20 HCED COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1771114991 SFUYLUTUNRUUOP-NRFANRHFSA-N 414.510 0.983 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(n2)OCCO3)C1 1777952726 KHUCRRYLBWVEIT-OXQOHEQNSA-N 400.435 0.894 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778584904 ZNWDZWJGNQMQQS-LXHZQTKUSA-N 423.473 0.865 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)cc1 1778931584 GIOZVHJOCGWUSL-OAQYLSRUSA-N 409.446 0.197 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1778976337 OPOQYWCTERSBOX-SJCJKPOMSA-N 421.416 0.068 30 20 HCED 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C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCNC(C)=O)C2 1847071407 SBFUXGHMAQLUTP-INIZCTEOSA-N 420.510 0.633 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(C)C(=O)CC2)c1 1848044397 VCOVVQHYWZJMFK-ROUUACIJSA-N 409.446 0.990 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 56089753 QKHNACNIXXXASC-HNNXBMFYSA-N 415.537 0.695 30 20 HCED N#Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 106059054 RUOPWVWURCKOJC-KRWDZBQOSA-N 402.476 0.699 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 409507318 IOOXPVQVULUBPL-AWEZNQCLSA-N 418.516 0.858 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 409584321 KCBYYIOXQOSGSG-UHFFFAOYSA-N 410.496 0.942 30 20 HCED CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](C)C1 441055570 XALGLJRQPVXQJG-CRAIPNDOSA-N 409.494 1.325 30 20 HCED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443352814 PTVQQFXKSHQYNM-NSHDSACASA-N 400.357 0.920 30 20 HCED 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COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 488078910 UDWSJXROSYEXLU-JFIYKMOQSA-N 402.561 0.802 30 20 HCED COCC1(C#N)CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 496171426 RIAILWKHQGUOEQ-HNNXBMFYSA-N 402.517 0.437 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 499047517 AAUNEOKUQRFCBN-UHFFFAOYSA-N 407.492 0.667 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 502285152 TYOLTYLTZYKYER-VQTJNVASSA-N 414.506 0.903 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cncc(NS(C)(=O)=O)c1 503564316 XLSOMDZFHVFPSU-GFCCVEGCSA-N 401.452 0.466 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccccc3Cl)CC2)CC1 507108207 GKHPQVPGRMXPQB-UHFFFAOYSA-N 418.925 0.934 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508930523 MBNTYCFJQICNOD-HZPDHXFCSA-N 413.544 0.845 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1=O 512551358 SXBNJLVCJQIANJ-UHFFFAOYSA-N 404.467 0.604 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 516483819 YUNMGCXRPCFZJR-UHFFFAOYSA-N 410.434 0.661 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 536341463 RNSXDQIBFXYDJX-UHFFFAOYSA-N 418.417 0.216 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)cc1 537428829 MOGYJCGNGLHSBC-QGZVFWFLSA-N 404.434 0.626 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 539453282 JXVPHMKKYSAVQM-PMPSAXMXSA-N 406.508 0.719 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCO)CC2)cc1 550102940 VQADOJTXVHEOKL-UHFFFAOYSA-N 408.476 0.376 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(CCN(C)C3)C2)cc1 551371893 FFABFQQCDVFKEU-HXUWFJFHSA-N 420.535 0.986 30 20 HCED CCNC(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 551733835 LSPDVBBHCQNRPM-MRXNPFEDSA-N 423.477 1.293 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 553341300 RQPAJGZZRMWCNN-UHFFFAOYSA-N 417.495 0.824 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)nc1 555689724 IPGNCTRCTOVZGP-FQEVSTJZSA-N 418.501 0.993 30 20 HCED CCn1nc(C)c(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 557603669 QKNYRPDGPNEEMX-LJQANCHMSA-N 422.489 0.925 30 20 HCED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 558152257 GBFBEEMAEXIDAJ-AWEZNQCLSA-N 414.445 0.643 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 561433423 XZWPUUAITGWVCV-KRWDZBQOSA-N 421.461 0.792 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1F 564008784 OVTZFVYQXXYBDT-GFCCVEGCSA-N 411.436 0.648 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 571836647 GYSBYBNZYMWIJG-UHFFFAOYSA-N 410.452 0.510 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N(CCO)C3CCOCC3)C2=O)cc1 576734640 BGTUCQDMRFTAQO-SFHVURJKSA-N 414.462 0.170 30 20 HCED N#Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cnc1C(F)(F)F 577513066 KLEZVFOPNBGHIJ-UHFFFAOYSA-N 409.368 0.879 30 20 HCED Cc1nccc(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 585774370 AEKGIDDQQXCGIO-UHFFFAOYSA-N 421.417 0.870 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 589157249 QHZGJDZBEWWTEX-UHFFFAOYSA-N 411.483 0.448 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cc(C)c(=O)n(C)c3)CC2)c1C#N 589437859 YFQSCHMWNLZSIU-UHFFFAOYSA-N 400.464 0.618 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3ccccc3-n3cnc(C#N)n3)cnc21 589556264 LWXIEHSLZNCZKN-UHFFFAOYSA-N 424.402 0.287 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 590259581 GIAQSDLTKDPJIW-UHFFFAOYSA-N 415.269 0.456 30 20 HCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 610899755 JSJCFLPSHHEJQO-QAPCUYQASA-N 421.523 0.293 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)OCC)CC1 611607352 WMFDGVKEESTXFM-UHFFFAOYSA-N 420.441 0.387 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1 617057381 PUBXIUHPEHLVPJ-MSOLQXFVSA-N 410.478 0.858 30 20 HCED C=CCN(C(=O)Nc1ccccc1CN1C(=O)CNC1=O)[C@H]1CCS(=O)(=O)C1 678887660 YYLBKFBRSKINQT-AWEZNQCLSA-N 406.464 0.945 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 729947419 ZSEIVHVZBDUXES-GOSISDBHSA-N 402.363 0.672 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 731862651 JAESAAWFAQBTOJ-PEZBUJJGSA-N 424.504 0.789 30 20 HCED Cn1c(N)c(C(=O)COC(=O)CCCCOc2cccc(C#N)c2)c(=O)n(C)c1=O 732397365 RLSAFBAHBCMBTQ-UHFFFAOYSA-N 414.418 0.513 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742664002 AYQJICAOBQESMB-NEPJUHHUSA-N 401.510 0.395 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCOC1 743942068 XBJUAKWIZLGVQP-QMYXSJSUSA-N 422.507 0.979 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 744264693 CWJKGVHDGHLCTG-QMMMGPOBSA-N 413.399 0.512 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 749520526 IOLYIXLXKLZIBV-ZDUSSCGKSA-N 400.439 0.845 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 755778356 JPCDGWYIKMDDBQ-FRRDWIJNSA-N 401.485 0.502 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 757868173 KVBFRACYVAHNPL-CYBMUJFWSA-N 401.398 0.645 30 20 HCED C=CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 772717188 FICVBRKBJLJSCI-CHWSQXEVSA-N 402.494 0.730 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)[C@@H]1CCCO1 773796830 ZBQFJLVZMZKKAT-UXHICEINSA-N 414.506 0.548 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C1=O 776142525 NDJFTJHQXZQIQU-SFHVURJKSA-N 422.463 0.458 30 20 HCED N#CC1(NC(=O)COC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CCC1 784214759 CUTTWSLMOLZLEU-UHFFFAOYSA-N 422.282 0.877 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](O)C2)cc1 789611796 YGNAMMMJUUCBOR-JHIQSCMMSA-N 422.507 0.715 30 20 HCED C#CCC[C@H](O)CNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 799225507 JCUPGQHCTYYGEY-HNNXBMFYSA-N 401.423 0.463 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC)C(C)C 799272397 CEPINBDGTCXBRV-LLVKDONJSA-N 409.464 0.671 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)nc1 805540625 VILPNOHHZFYXGO-UHFFFAOYSA-N 424.461 0.751 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 807357330 LVHZLUPJSBCHJX-RBZFPXEDSA-N 416.409 0.755 30 20 HCED COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1=O 808542208 GHGVXIOCOCMGOE-HNNXBMFYSA-N 422.445 0.412 30 20 HCED C#CCN(CC#CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#C)CC#CC)cc1 810053870 XDXHYQXWQDAICC-UHFFFAOYSA-N 416.524 0.981 30 20 HCED C[C@@H](OC(=O)c1cccc(C#N)n1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 811253860 QPJJMQZYRHODCM-GFCCVEGCSA-N 402.432 0.505 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 816099077 IVMQMAFECOUZPX-SWLSCSKDSA-N 413.434 0.857 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCN(O)C1=O 816754212 ZDRJMSPEQDQKFZ-KBPBESRZSA-N 401.510 0.583 30 20 HCED C[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)NC1(C#N)CCCCC1 844202432 JYHWILWFRJVHKR-GFCCVEGCSA-N 407.452 0.230 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 856681753 XCWWRMJWFMDFEY-OAHLLOKOSA-N 408.476 0.971 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3ncccc3c2)c1=O 916200131 UUHLXJGCHFNGBI-UHFFFAOYSA-N 420.494 0.886 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 916953203 SNTSYHOHALUTMT-HNNXBMFYSA-N 400.416 0.840 30 20 HCED CCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 920205138 RPPLDMQPYUTYSF-SILNSSARSA-N 410.496 0.933 30 20 HCED Cc1nn(CCO)c(C)c1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 1115892617 CSLKDTHMQYLZCS-UHFFFAOYSA-N 421.527 0.269 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)CC2=O)cc1Cl 1297993969 OOCKHLQZQSQVPX-SJCJKPOMSA-N 411.867 0.230 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1302088392 AFPKSDJFXGBWES-KXBFYZLASA-N 422.555 0.302 30 20 HCED Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cnn1C 1304106986 WXIVPFOJGVSDMC-MEDUHNTESA-N 410.479 0.421 30 20 HCED CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316347221 KPZZHXIPSGVGGU-GOEBONIOSA-N 408.528 0.393 30 20 HCED CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 1318475516 BBNDYGPOOMMEDP-JKSUJKDBSA-N 418.475 0.799 30 20 HCED Cc1cc(CN2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)no1 1318720206 WOPFOSAGLOHULX-ZCXUNETKSA-N 402.455 0.727 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 1321272420 VJPAFBDMMQNGBR-UHFFFAOYSA-N 416.503 0.569 30 20 HCED N#Cc1ccc(I)c(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 1344549018 JMMLYJYXYPJDBO-JTQLQIEISA-N 420.228 0.845 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1([S@](C)=O)CCC1 1360647084 UYUCMXGUHFPPDA-ZCDIYMNCSA-N 416.573 0.928 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 1466064468 MQFMOEJNCCUBDR-GUTXKFCHSA-N 404.471 0.659 30 20 HCED COc1ccc2c(c1)CCC(S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O)=C2 1475510336 QXVKKRFZQPDGOL-UHFFFAOYSA-N 402.432 0.736 30 20 HCED 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CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837088382 FQZPPKLYBUGQJN-YLJYHZDGSA-N 422.551 0.854 30 20 HCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1)C(=O)O 1837886487 GTSWHHNSPFJNHO-WFASDCNBSA-N 401.529 0.366 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838333655 JWZVJHQTTLUIIN-HSZRJFAPSA-N 421.453 0.442 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838646935 MFSUSJWFSLDXRB-INIZCTEOSA-N 413.515 0.795 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nc2nccn12 1839547109 WVJRSAZRIQJOHQ-QFIPXVFZSA-N 423.473 0.521 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1840163063 CHHRZXFLMLWFFA-RNODOKPDSA-N 419.503 0.570 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840168056 DYZWSIDYBVULMJ-NRFANRHFSA-N 411.462 0.603 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1840843620 WJSDJSLMKNKNAN-HXUWFJFHSA-N 402.451 0.359 30 20 HCED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)CCc3cccc(C#N)c3)C2)CC1 1841259977 ORHAOLIDEUOTQC-UHFFFAOYSA-N 409.534 0.942 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1841601885 HNSBRMHANOOVCH-MRXNPFEDSA-N 423.510 0.769 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cccc(OCC(F)(F)F)n1)C2 1846194949 JFXKGKMRXHACDP-UHFFFAOYSA-N 411.336 0.928 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cccnc1C(N)=O)C2 1846979174 DAUAOPAFJXYMBX-UHFFFAOYSA-N 419.441 0.948 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O 1848132447 YPXMIDDJJZVJGL-PMPSAXMXSA-N 418.570 0.837 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)C1=O 116658086 XHUHLQFOCSVYNT-UHFFFAOYSA-N 423.385 0.888 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 140928037 FTSYWQDFFFTMFD-UHFFFAOYSA-N 416.459 0.902 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCNS(=O)(=O)N(C)C)cc1 436506656 XHTMEXZNWGRCPB-UHFFFAOYSA-N 419.529 0.011 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 438013607 PKRLUYOFRFQLLU-FUHWJXTLSA-N 402.499 0.796 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)n1 438334260 XKHUIAYGIRLPJK-UHFFFAOYSA-N 413.457 1.515 30 20 HCED Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 448233924 IZUANXRVZUXJPZ-MRXNPFEDSA-N 423.477 0.868 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(c3snc(C)c3C#N)CC1)CC2 460380329 UNNBWMYEKHMQNC-ZDUSSCGKSA-N 416.511 0.908 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 461187997 CPJYROUWQLSQIJ-MGBSGCIJSA-N 411.487 0.779 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)c1C#N 472897263 MNBPACZSCUHGTG-UHFFFAOYSA-N 424.387 0.646 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1 474465753 CGTJXJYAYJPEMQ-UHFFFAOYSA-N 406.508 0.815 30 20 HCED Cc1ccc(C(=O)NCCCCN2CCC[C@H]2CO)cc1S(=O)(=O)NCC#N 476444201 OIMBHYYFWKWYBM-KRWDZBQOSA-N 408.524 0.764 30 20 HCED Cc1ccc(C(=O)NC2CCN(c3nccn3C)CC2)cc1S(=O)(=O)NCC#N 477013961 VAWVKVVOXSUAGZ-UHFFFAOYSA-N 416.507 0.929 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccc(OC)c(OC)c2OC)C1=O 483011862 JYZZCYWVAVVUJC-OAHLLOKOSA-N 419.478 0.616 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nc1 484786821 NTTXQOBFFSMLFL-UHFFFAOYSA-N 418.483 0.257 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2c(-c3ncccn3)noc2=O)CC1 485292801 TWNFOCPAFINQHA-MRXNPFEDSA-N 405.418 0.702 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 486625479 GUOPBKNZHIXSKR-SFHVURJKSA-N 423.458 0.613 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCNS(=O)(=O)c1ccccc1Cl 499731115 DJVKRMLTMVNERK-LBPRGKRZSA-N 408.933 0.934 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)N3CCN(CC#N)CC3)cc2[N+](=O)[O-])CC1 508060314 SYCFAJZIVJGEIB-UHFFFAOYSA-N 400.439 0.545 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(c3cccnn3)CC2)c1 516357253 UGIKGSMOJCUUPI-UHFFFAOYSA-N 400.464 0.412 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 517404761 UMIAXYUQTKFIDV-UHFFFAOYSA-N 415.494 0.797 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1C 534157143 DVJJIWPLUXBICK-UHFFFAOYSA-N 418.479 0.355 30 20 HCED COc1ccc(CCNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1S(N)(=O)=O 538760489 PMPKVHZPBPBUSW-UHFFFAOYSA-N 413.452 0.874 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1=O 544726593 VPUKSCLSLUDJHF-INIZCTEOSA-N 413.521 0.634 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)nn1 545497631 ZHXZIXVYRYLNNX-LBPRGKRZSA-N 414.426 0.300 30 20 HCED C=CCOc1ccc(CNC(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 553898754 CSTXAMZTYDZEEM-GOEBONIOSA-N 409.508 0.990 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1 554459261 KUWACXUSOVBLIQ-CRAIPNDOSA-N 410.478 1.149 30 20 HCED C[C@H]1CN(c2cc(N3C[C@@H](CO)O[C@H](C)C3)c(C#N)cc2[N+](=O)[O-])C[C@@H](CO)O1 557660810 PEWPKIHKINGQJC-VRKREXBASA-N 406.439 0.638 30 20 HCED C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 558157371 CWSKABSHLLCLCI-HOTGVXAUSA-N 402.503 0.172 30 20 HCED C=CCCOCCNC(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 560962821 FMULBGBTVXBTLP-UHFFFAOYSA-N 402.495 0.680 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 571079066 HDALVSURSUBHLE-UHFFFAOYSA-N 407.434 0.272 30 20 HCED COCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 573489802 PFJUZYQIZINIMA-UHFFFAOYSA-N 407.492 0.834 30 20 HCED CNC(=O)CCCN(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 574070421 OOYBRFLMFJVETK-UHFFFAOYSA-N 402.842 1.320 30 20 HCED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 575034462 MOXNEJGFAFCSOM-JOYOIKCWSA-N 419.381 0.987 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 582317066 ALJHAGSEEZNIBU-CALCHBBNSA-N 410.584 0.671 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C1CC1 583156868 IQKQOFBSJLHYNG-UHFFFAOYSA-N 415.519 0.507 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2)o1 584330237 FTQABZMXTDLOPK-MJGOQNOKSA-N 416.526 0.736 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 603492112 GDBXEVQURKFPEU-UHFFFAOYSA-N 420.535 0.988 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 603796222 AIDDYLKFNQGZEU-UHFFFAOYSA-N 407.442 0.864 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(=O)N(C)C 604269940 JWUNKDYZBHOFAR-UHFFFAOYSA-N 418.544 0.335 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3S(N)(=O)=O)CC2)cc1 609579454 LYRQLCPPHBZGSM-UHFFFAOYSA-N 407.477 0.112 30 20 HCED N#Cc1ccccc1OCC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 609725674 ILDZSKLOLXVKJO-UHFFFAOYSA-N 404.404 0.940 30 20 HCED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 609992024 FJZKFXQKTLARJB-UHFFFAOYSA-N 418.269 0.643 30 20 HCED Cc1nc(=NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n(-c2ccc(C#N)cc2)[nH]1 610115455 YGDCDMXDKVMWNQ-UHFFFAOYSA-N 404.386 0.967 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnnn1-c1ccccc1 610804351 ZWNMXVKLJNKURC-ZDUSSCGKSA-N 411.447 0.517 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cccn3C)CC2)cc1 618595331 WDCUDIBTUWVBKM-UHFFFAOYSA-N 423.473 0.864 30 20 HCED C=CCN(C(=O)c1ccc(CCNS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 619563403 VJSUGBZVPORJKA-INIZCTEOSA-N 400.522 0.594 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C)cc2OCCOC)C1=O 673387149 ZYJAFTUOYOIOEH-QGZVFWFLSA-N 403.479 0.882 30 20 HCED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 682320022 SMBIVPFDEGPZJD-INIZCTEOSA-N 408.439 0.849 30 20 HCED CC(C)c1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1 727164423 OPFZDGFPRMJFQN-UHFFFAOYSA-N 416.528 0.609 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1 728536155 MPJKAWBKEDFNCY-HNNXBMFYSA-N 406.508 0.025 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 729237863 VAAPLGBGSIHRMB-SNVBAGLBSA-N 405.270 0.961 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 733801184 MCDMKRFBFRFVMD-INIZCTEOSA-N 410.496 0.829 30 20 HCED C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 733889390 QEFNTMGRLBHCDW-VVLNONDKSA-N 402.498 0.376 30 20 HCED CCCOC(=O)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 737305495 KTTNDRDOVDTHFW-WUKNDPDISA-N 414.418 0.835 30 20 HCED C#CCNC(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 746742449 IGYBNHTZGNHEEF-NRFANRHFSA-N 419.437 0.793 30 20 HCED CN(CC(=O)N(CCC#N)CCN1CCOCC1)C1=NS(=O)(=O)c2ccccc21 749378676 FWWNYTVASYZFLN-UHFFFAOYSA-N 419.507 0.142 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 756897237 WDMFFJHIBANRBE-UONOGXRCSA-N 400.501 0.533 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cncc(I)c1 756987765 SDYMAYZPQAPKMY-WYMLVPIESA-N 412.187 0.942 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 757288441 CSIUUJNSSXZHIU-GFCCVEGCSA-N 416.450 0.990 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)c3c(c2)OCO3)CC1 761033169 TUIHTUNGZHQBOW-UHFFFAOYSA-N 416.297 0.763 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 761070555 BUBIGZXLQZSEFY-AAEUAGOBSA-N 403.443 0.356 30 20 HCED CC[C@@H](C)[C@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NCCN1CCOCC1 762215263 WFJDNKQIXFDRSF-IERDGZPVSA-N 415.490 0.746 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OC3CCN(CC#N)CC3)CC2)cc1 764785622 ANELQLCCEUKEFY-UHFFFAOYSA-N 420.535 0.833 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNC(=O)c1ccncc1 766280531 UDVIPIUGRKNQNN-ZDUSSCGKSA-N 402.432 0.593 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1Cl 766607405 WTPDPTXLYVEOTK-UHFFFAOYSA-N 407.904 0.943 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2sccc2C#N)c1 769746848 NWTBKHIPYHEAKX-UHFFFAOYSA-N 404.429 0.952 30 20 HCED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 778607508 WAZLXKXHKJKORP-AWEZNQCLSA-N 408.480 0.310 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCOC 782246711 ZGOYMDWYKXBWOT-UHFFFAOYSA-N 422.488 0.555 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 783480529 ROEKXUHEMRLKBL-OAHLLOKOSA-N 405.476 0.990 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H](CO)NC(=O)c2cccc(Br)c2)CCC1 784212702 FOWHKSGXDWSEGP-CYBMUJFWSA-N 424.251 0.645 30 20 HCED CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)cc2S1(=O)=O 787654741 BHUHMSDMTIOHIT-NSHDSACASA-N 405.432 0.959 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 794593562 FIWBFNCXJZKTGU-AWEZNQCLSA-N 400.504 0.897 30 20 HCED CN(C)c1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(C(F)(F)F)c1 794622781 FURRMGWXKFZLOZ-UHFFFAOYSA-N 421.404 0.507 30 20 HCED C#CCC[C@H](O)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 798486210 OJFJAGHULAOXGR-HNNXBMFYSA-N 400.522 0.914 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 799283884 SGOGFVNWJXDOEP-HNNXBMFYSA-N 423.491 0.309 30 20 HCED C#CCNc1nc(N[C@H]2CC(=O)N(C3CC3)C2)nc(N[C@H]2CC(=O)N(C3CC3)C2)n1 804533216 ZIGZYOUUKGZLPR-STQMWFEESA-N 410.482 0.267 30 20 HCED CCN1CCN(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C(=O)C1=O 919146817 CTGDJOIXEUPJNF-AWEZNQCLSA-N 418.425 0.695 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 919941599 MAOIDVSLAYBMJS-UHFFFAOYSA-N 423.539 0.941 30 20 HCED C=CCN(C(=O)CCc1c(C)nc(N2CCOCC2)nc1O)[C@H]1CCS(=O)(=O)C1 1115890477 KGKMZMIUXIFWJL-HNNXBMFYSA-N 424.523 0.462 30 20 HCED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1 1116288117 CYXOHCZNDBHWCC-UHFFFAOYSA-N 412.452 0.376 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 1150584829 RMOPKGJZOQRYSQ-CXAGYDPISA-N 402.480 0.132 30 20 HCED O=c1c(C=NNC2CCS(=O)(=O)CC2)c(N2CCOCC2)nc2ccccn12 1254223944 XMUDAFJSVHFLOC-UHFFFAOYSA-N 405.480 0.032 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)/C=C(/C)C(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 1263790315 MMVMCRWSKBWFCA-RALMIJTQSA-N 402.495 0.423 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cc(F)ncn2)CC1 1298242645 PVMJETLVMLTSHW-UHFFFAOYSA-N 404.427 0.003 30 20 HCED N#C[C@@H](C(=O)CN1CCN(CCS(N)(=O)=O)CC1)c1nc2ccccc2s1 1319387152 ZIWKERYLXPFLJQ-ZDUSSCGKSA-N 407.521 0.379 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)c1 1320640831 VLCQFXYLQUHJJU-QFBILLFUSA-N 419.507 0.521 30 20 HCED Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 1462793156 YIGWSBHHOHJKIX-UHFFFAOYSA-N 409.493 0.295 30 20 HCED 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BSEFTYOUTJIUDO-OGNFBWPZSA-N 413.515 0.651 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1832451972 MXEGGPMQGASBFU-FQEVSTJZSA-N 405.520 1.000 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CCC1 1832786297 SEQGHTYEHTYWIW-UYAOXDASSA-N 418.538 0.951 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)s3)CCO2)C1 1833213619 WHKGKNXPJWJAFI-AUUYWEPGSA-N 410.467 0.996 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cncc(S(C)(=O)=O)c3)CC2)CC1 1833942645 TYTKOOYPBKYBBT-UHFFFAOYSA-N 418.519 0.304 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C)n3)CCO2)C1 1834046417 NZPNGCSLXUPZQX-LAUBAEHRSA-N 401.463 0.498 30 20 HCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834072417 WQZJEXMPTATLBK-UHFFFAOYSA-N 406.556 0.920 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1834242333 ZRSXPKXGFKNHBM-JOCHJYFZSA-N 423.473 0.604 30 20 HCED Cn1cncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834322485 WUZPOZFDFCJYFE-JOCHJYFZSA-N 423.473 0.604 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)c1 1834596416 HZQHOFZMVWVYQQ-JOCHJYFZSA-N 423.425 0.895 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)cc1 1834605910 CAHDITONAKNKDQ-JOCHJYFZSA-N 423.425 0.895 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1834607447 OPJRYKNFUMQLQN-UHFFFAOYSA-N 405.528 0.772 30 20 HCED CCOC(=O)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)ccn1 1834763788 YSYADXZWOADJAY-HXUWFJFHSA-N 416.434 0.242 30 20 HCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768007 WVWWTIACXIDRPV-KKSFZXQISA-N 414.462 0.175 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335596 MBPSLPGZOFKLGB-GUYCJALGSA-N 408.417 0.968 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccn4ccnc4c3)CC2)CC1 1835573688 FOTHXACRFADWRW-UHFFFAOYSA-N 423.473 0.608 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(C)cn1)CCO2 1836202543 NEUREHMIJNGLOX-NRFANRHFSA-N 402.495 0.842 30 20 HCED C[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1 1836559912 MSRRXQQQZQXAGG-LLVKDONJSA-N 407.483 0.986 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836728693 HHBIWQHEAUGAOM-SFHVURJKSA-N 405.495 0.557 30 20 HCED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)C 1837214344 VVTKKJRUIBWASN-CTNGQTDRSA-N 406.479 0.444 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837454592 FCVNNXGYSZKWFM-FQEVSTJZSA-N 403.435 0.721 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1837528742 OAHJBDCLQHNNEI-VEAGQJPWSA-N 421.454 0.009 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1837567543 QQHRYPCMMLLWLH-RNXLQWHDSA-N 405.451 0.191 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838409378 NGHUNOFLXUXJHU-HYARGMPZSA-N 415.446 0.785 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n(C)n1 1838906679 YTCSTJGRFKMLPD-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1839622506 HSBKXWQLFZCGGB-NRFANRHFSA-N 417.510 0.365 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839645214 CATRWRFNMGIEQB-MJTSJRRZSA-N 413.540 0.437 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)[S@@](=O)c1ccccc1 1839672132 YWJULMKHTLASCQ-FLMDJSIISA-N 419.503 0.553 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1839839715 KKEHFNYDPICSBK-YWZLYKJASA-N 406.483 0.711 30 20 HCED Cc1noc(C)c1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840159251 ZMPSVXBVGZLFIM-KXBFYZLASA-N 411.524 0.999 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1840292168 AINLDKSCWNLSBJ-NRFANRHFSA-N 402.495 0.613 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840473985 DWLDUULBGNVRNS-JXFKEZNVSA-N 418.498 0.459 30 20 HCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812180 DWALNMJKUPLKBM-OAQYLSRUSA-N 421.494 0.868 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842057020 ZHSSVGAWHKRHTM-ZIAGYGMSSA-N 414.462 0.234 30 20 HCED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)cc1C#N 1846880401 YUSSIJSVAKLEDU-ROUUACIJSA-N 412.490 0.885 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2snnc2c1 1847263795 PDAAMBRAIQBHGJ-CGXNLCPXSA-N 412.475 0.760 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848346185 LSLJNESBAPZLJR-HOTGVXAUSA-N 408.414 0.852 30 20 HCED Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)c1C 14144280 DQDSAWVXUJBVQU-UHFFFAOYSA-N 416.507 0.917 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCNC(=O)c2cccc(Br)c2)CCO1 409595841 HQAZLWOPJDMHSF-CYBMUJFWSA-N 417.285 0.238 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](C)C(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410103824 HOQFMIUMPWIIRP-TVFCKZIOSA-N 418.538 0.749 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 427902726 ICUDZNYFGQEIKT-RRQGHBQHSA-N 405.476 0.822 30 20 HCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccnc1C#N 428413228 YOIQDCYZHNOHFM-INIZCTEOSA-N 401.492 0.521 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1=O 440286005 WCOJZAQBMVPIRG-HNNXBMFYSA-N 408.480 0.135 30 20 HCED Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 443311476 XVYSUBGQLNLRAR-HNNXBMFYSA-N 401.423 0.089 30 20 HCED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)ccc1C#N 443916171 XZYYDGUSESWOTD-UHFFFAOYSA-N 423.520 0.604 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCCN3C(=O)CNC3=O)CC2)c(Cl)c1 444194926 UCLXMTGIGHRFNB-UHFFFAOYSA-N 404.858 0.985 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(CCn3cnc4ccccc4c3=O)no2)C1=O 460515468 AFTFHWOBTXVLRN-UHFFFAOYSA-N 408.374 0.499 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1O 460591164 GYNCLSOXZZOLNG-UHFFFAOYSA-N 406.402 1.417 30 20 HCED Cc1ccc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)cc1S(=O)(=O)NCC#N 460641845 ROGFZRQUQSTJFE-UHFFFAOYSA-N 413.481 0.631 30 20 HCED C=CCn1c(Cc2noc(-c3cccn4c(O)nnc34)n2)nnc1N1CCOCC1 463344500 KGAAHTALEFVMML-UHFFFAOYSA-N 409.410 0.690 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 469713356 NTCIKVSMZLZGEG-CQSZACIVSA-N 416.507 0.820 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C 470511221 NBGWWOSVRRFVGA-HOTGVXAUSA-N 420.535 0.937 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1nccs1 472356108 OFLGKEBYUGKABA-UHFFFAOYSA-N 419.532 0.980 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)c1C#N 472681408 DFEFGGMMEROXFZ-OAGGEKHMSA-N 412.494 0.813 30 20 HCED Cc1c(C(=O)N2CCN(CC#N)CC2)cc(Br)cc1S(N)(=O)=O 473888250 REIAWYSLLOSZQD-UHFFFAOYSA-N 401.286 0.686 30 20 HCED CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1 480427792 OQUYHIATEHNARS-YJBOKZPZSA-N 408.524 0.698 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1 480469879 KZKYVKRTZPCLGO-LBPRGKRZSA-N 422.488 0.652 30 20 HCED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccco1 481484216 VBYAIUGLBGLEDO-STQMWFEESA-N 404.448 0.639 30 20 HCED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 488978212 KGVIENNUAYFIIA-CQSZACIVSA-N 409.467 0.919 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)Cn3cnc(C#N)n3)cc2)C1 494463850 MTFGVXIDALRFMH-CQSZACIVSA-N 402.480 0.887 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 497491059 CLSBHYLQCUZTDY-LJQANCHMSA-N 418.523 0.924 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 497958810 LJUPYRMYSLLHHH-ZDUSSCGKSA-N 401.510 0.774 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)ccc1F 499038693 RRKWCOWBTIFITA-UHFFFAOYSA-N 420.422 0.739 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(=O)NCCF 506445893 JBCVDGAUQOJNIH-SNVBAGLBSA-N 406.805 0.926 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)n2)cc1 507348379 SELRRDHFRWYCOC-SJORKVTESA-N 410.434 0.543 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC(C)(C)C(=O)OCC)cc1 507982876 RKPGHZKFZRBRAP-UHFFFAOYSA-N 411.480 0.890 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)c(F)c1 508346612 GJBHQVWQPIOSOU-UHFFFAOYSA-N 414.397 0.388 30 20 HCED N#CCCn1cc(C(=O)NCCN2CCNC(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 510942124 XOOHAJPYXLYTRS-UHFFFAOYSA-N 411.422 0.534 30 20 HCED N#C[C@H]1CN(C(=O)NCCN2CCCS2(=O)=O)C[C@@]12C(=O)Nc1ccccc12 514001736 NEUHIGNGSUFUQV-SCLBCKFNSA-N 403.464 0.077 30 20 HCED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 516429495 YJDGTPOSACMVTJ-UHFFFAOYSA-N 421.457 0.958 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 518209984 JCWYXRXTVRCDGV-UHFFFAOYSA-N 413.459 0.644 30 20 HCED C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 521992504 GMOKILDOLGUYRR-SJORKVTESA-N 400.479 0.717 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 524423578 PBXJGSKXHKTBFL-OAHLLOKOSA-N 422.388 0.948 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 525460086 KQKLSMFRGLCYKJ-UHFFFAOYSA-N 423.520 0.732 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)CC2)o1 530381573 VBJIWLGOQLZHSZ-UHFFFAOYSA-N 416.482 0.267 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 537279691 SYANXQHGBAMBIY-SFHVURJKSA-N 423.514 0.287 30 20 HCED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541143808 MBLAXZLHGKHWBT-SNVBAGLBSA-N 409.855 0.885 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cccc1C(N)=O 542075810 MJCMXTIVMKCMEB-GFCCVEGCSA-N 423.433 0.132 30 20 HCED COCCn1cc2c(n1)[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)CCC2 546068430 WPTSQDLWDUOFEU-OAHLLOKOSA-N 413.482 1.485 30 20 HCED C[C@@]1(c2ccc(CNC(=O)C(=O)N3CCc4ccc(C#N)cc43)cc2)NC(=O)NC1=O 550568329 LELZWJWZGCAZLG-QFIPXVFZSA-N 417.425 0.818 30 20 HCED C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551077340 PUYVXUONUJVRNJ-APWZRJJASA-N 411.506 0.766 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)C1=O 552936488 CPDINHIAGNCVQZ-VQIMIIECSA-N 414.506 0.883 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)CC1 553326710 CSIKLTKFSIYTAB-UHFFFAOYSA-N 422.551 0.498 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 553329438 HBUGOMQVBMQYRA-KRWDZBQOSA-N 416.526 0.184 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1O 553895074 LQCBUDSXCKCONT-ZWKOTPCHSA-N 402.495 0.493 30 20 HCED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555240651 MRRAYYVMZHLLGO-CQSZACIVSA-N 414.441 0.719 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1 556192666 CHXJQMKSDNSOER-UHFFFAOYSA-N 417.529 0.831 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)n1 558290120 FDPREPZOBKTJMY-UHFFFAOYSA-N 403.406 0.829 30 20 HCED CCNC(=O)C(C)(C)CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 564155739 FAPZSRWFVAWDOS-UHFFFAOYSA-N 401.511 0.727 30 20 HCED CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 565650389 QNHODOWSUUJWQJ-ZDUSSCGKSA-N 409.450 0.841 30 20 HCED CCCCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 576316582 YLJHZHRYKQSQCY-UHFFFAOYSA-N 406.508 0.991 30 20 HCED CC(C)[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1nc(-c2nc[nH]n2)no1 578551535 RRTBYIYPIBTPNO-ZDUSSCGKSA-N 402.440 0.882 30 20 HCED CCc1nc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 579045691 TUFWEHJJMCQGSV-UHFFFAOYSA-N 418.479 0.126 30 20 HCED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(c2cnccc2C#N)CC1 579306114 XDFVGGJYPUHZPP-UHFFFAOYSA-N 414.491 0.941 30 20 HCED COc1cc(C(F)(F)F)ncc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 616744394 QJVOKQRAHGGMFS-UHFFFAOYSA-N 411.344 0.973 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H](C)c2ccccc2OC)C1=O 726042778 MOXPRZGNINTKIE-GFCCVEGCSA-N 403.391 0.392 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 729762891 JBDHJEPPWIJJBM-UHFFFAOYSA-N 424.475 0.468 30 20 HCED N#CCNC(=O)COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 731238780 GKNXDALXRXBTGX-UHFFFAOYSA-N 413.761 0.820 30 20 HCED CS(=O)(=O)CCOc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732432001 YNVORSUABCHIAC-WUKNDPDISA-N 422.463 0.758 30 20 HCED COC(=O)CCCc1nnc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 740464227 DYNCUCNSFIADNK-BUHFOSPRSA-N 408.440 0.682 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 742143431 XVLDTSPQFFGZBO-INIZCTEOSA-N 415.475 0.257 30 20 HCED Cc1cc(NC(=O)COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 745495350 HKNQQAFMZHEDJS-NSHDSACASA-N 419.463 0.728 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc3cnccn23)CC1 746372492 PNBSMYXTDVUAQH-UHFFFAOYSA-N 400.468 0.506 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cn1 746407177 WPYVDCABZFDACI-SFHVURJKSA-N 421.461 0.295 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)c1 746631436 QLFFAKNUDMTDTC-INIZCTEOSA-N 408.476 0.781 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 748149300 NISJPYIIZSZTCZ-CQSZACIVSA-N 403.501 0.605 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CC1 748816641 IKJJRKPBZIVLQX-VQTJNVASSA-N 403.571 0.076 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@H]2CCOC2)CC1 749507658 COXSXPDXAFERGG-OAHLLOKOSA-N 406.508 0.296 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1C#N 752403197 OLLLZEYKKUQEGT-UHFFFAOYSA-N 403.439 0.638 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753359108 NXPDAIYCNUIPHA-UHFFFAOYSA-N 414.487 0.630 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC)cc2OC)c1=O 758041506 WVCGPUBPGPTEQC-UHFFFAOYSA-N 409.467 0.365 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(C)c2)c1=O 758049649 HDQAZDAVUOHXMQ-UHFFFAOYSA-N 420.538 0.519 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2)c1=O 758057636 GUKZTNILDRUXFL-UHFFFAOYSA-N 411.483 0.207 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2nccc3ccccc23)c1=O 758079253 IAHHKOBGNYUUHZ-UHFFFAOYSA-N 400.463 0.896 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(CC(=O)NCC#N)C1 759490964 YRLHAKRJCTVSSD-CVEARBPZSA-N 407.515 0.854 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 760499614 GEKRSKDGEKIHKF-QGZVFWFLSA-N 402.495 0.817 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(-c3ccccc3)ccc2O)c(=O)n(C)c1=O 771889869 LJLMFWZTMWEZQC-UHFFFAOYSA-N 414.443 0.769 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCCO1 773555721 HPLIAAACPJDQPY-IAGOWNOFSA-N 422.463 0.792 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1)[C@H]1CCCO1 773797735 OLVNLAIABGTARS-HZPDHXFCSA-N 407.854 0.952 30 20 HCED C#C[C@H](NCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@@H]1CCCO1 775789007 AIJQAMLEUFGVRS-ZWOKBUDYSA-N 413.474 0.268 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 783015799 WZGWVIWMTLQEQD-UHFFFAOYSA-N 409.508 0.692 30 20 HCED C#CCN(C(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 783479948 HDQZSIRTABQNAL-CYBMUJFWSA-N 404.423 0.599 30 20 HCED COC(=O)[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1cccc(C#N)c1 786363206 IMEFEYZEGJHYDH-UDCKQINGSA-N 412.398 0.868 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1 788032281 YMGMCICISMLFPY-MOPGFXCFSA-N 402.470 0.361 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)N(C)CCO3)n1 789787425 JBOKVEDUVIEWHM-UHFFFAOYSA-N 411.462 0.959 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)CN1CCCS1(=O)=O 790863455 XIOZJZODXDERFT-UHFFFAOYSA-N 411.383 0.417 30 20 HCED C#CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 792298888 XKWBKCSQBDUNSP-UHFFFAOYSA-N 407.492 0.246 30 20 HCED COC(=O)Cn1ncc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1C 793852017 PVWVYSYBMRGTSD-UHFFFAOYSA-N 419.463 0.822 30 20 HCED C[C@@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)n1cnc(C#N)n1 798742610 QLSFMKDDQHPCSA-VIFPVBQESA-N 413.362 0.889 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H](C)C(=O)NCCF)C1=O 799862127 OUGOTDFREQKRNK-MLYRWQKGSA-N 409.487 0.534 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C1=O 809797822 QFZJAPVMSIKFEX-GFCCVEGCSA-N 418.441 0.508 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2COc3ccccc3[C@H]2O)n1 810414672 AFPFIPIVGZZHNX-KBXCAEBGSA-N 404.386 0.688 30 20 HCED NC(=O)CCN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 843564740 LYXXYSGBBRXKFF-UHFFFAOYSA-N 400.460 0.629 30 20 HCED COCCOCC(=O)NC1CCC(C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1 1115951476 IRALOQMVZPMKCE-UHFFFAOYSA-N 423.491 0.590 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)CCOC1 1314143873 ZEMFZIBBHYXTEY-SQGPQFPESA-N 404.515 0.999 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)c1N 1318237497 VPCYOLDEYQQTPA-QGZVFWFLSA-N 414.491 0.271 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1326207719 VXAKCDLGUQFKRB-SJLPKXTDSA-N 416.503 0.242 30 20 HCED N#Cc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc1 1343339851 RXLNZPKPLHQZQP-UHFFFAOYSA-N 400.416 0.431 30 20 HCED CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1359940568 MKBWVTNWAMBSAS-CABCVRRESA-N 412.516 0.386 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)CC1 1510294952 IZSWCSWJDZSWER-AWEZNQCLSA-N 415.498 0.641 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1517630760 ZALLGMWJXZXCMF-HNNXBMFYSA-N 401.452 0.095 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1538701177 MCHRDBAXUKRLFR-CHWSQXEVSA-N 403.254 0.628 30 20 HCED N#Cc1cn(CCC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)nc1O 1546256346 USMCWHSFOZYUIQ-UHFFFAOYSA-N 417.372 0.473 30 20 HCED COCCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1555413810 MEMQKNTYIBYNCM-GJZGRUSLSA-N 411.528 0.972 30 20 HCED CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1617909058 YTBCFAZBIIIZQF-UHFFFAOYSA-N 412.479 0.792 30 20 HCED COC[C@@]1(CO)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1653629100 STXPHQROMUNKKO-FPOVZHCZSA-N 404.486 0.865 30 20 HCED N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1698489327 ZPMDYRBFDBIRTO-NVXWUHKLSA-N 412.475 0.980 30 20 HCED CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1708532027 IONUPGWMNHBIMK-ZSZQSSIHSA-N 422.555 0.518 30 20 HCED Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1751652726 KFGFABUELIDVTO-INIZCTEOSA-N 420.495 0.444 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951150 ZOSQUSAFORJQQF-QEVIJRNUSA-N 424.461 0.031 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1778746575 UPPGIDJCPDQTAW-BNOLWBGWSA-N 423.473 0.865 30 20 HCED COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1779021367 OLEBLGMLVQIEBT-DBRLUCFCSA-N 406.483 0.241 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1779139559 FVLFJFMGBMOPRU-SVRLSDIQSA-N 402.407 0.323 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779286264 QGWNMWDSQWTNPG-XIBLASPXSA-N 422.482 0.036 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779314076 CSFDIZCKUCNYCU-UWJYYQICSA-N 409.527 0.960 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779919235 FWNZDDMXPVDZQY-LJQANCHMSA-N 404.423 0.135 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780597244 NMURBBQQCRUZDV-JXFKEZNVSA-N 416.434 0.066 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781089873 KEGSQPDTFLQEKI-WAOWUJCRSA-N 408.543 0.043 30 20 HCED COC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783564955 DXQUDVLHCNXNNW-FQEVSTJZSA-N 415.402 0.396 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1783564990 GVODLPOJELXSSS-OAQYLSRUSA-N 409.398 0.472 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOc3ccc(F)cc3)[C@H]2C1 1783792373 ATTDRALGQBPRKT-WBAXXEDZSA-N 418.421 0.662 30 20 HCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1784198254 COCAMJJMRZISQS-WIYYLYMNSA-N 422.478 0.505 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1785423448 VXHYIHVYDCQTIO-FQEVSTJZSA-N 419.503 0.483 30 20 HCED CN(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1786720749 GFPKCLYLVYODPM-IEZWGBDMSA-N 424.505 0.980 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnn(C)c3)[C@H]2C1 1787012594 CKQKHIPEPLDWNM-VJANTYMQSA-N 418.538 0.906 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ncccn34)[C@H]2C1 1788004378 WXILJSDWRAHBFF-OVWQWFNUSA-N 413.478 0.914 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C\C(=O)NC4CC4)[C@H]3C2)c1 1788495501 LQSKRFOYVYSBKX-OTWYLLFQSA-N 422.485 0.986 30 20 HCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)cc1 1789570793 VYYZHFFFMWMEIV-XIRDDKMYSA-N 423.429 0.667 30 20 HCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)CN)C[C@@H]32)c(C#N)c1 1789839675 VIPPBEFDSRLWKD-VTCANLHHSA-N 414.506 0.684 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(S(=O)(=O)CC)cc3)C[C@@H]21 1790793585 QMUAEBAFXQFLMU-WDSOQIARSA-N 418.515 0.636 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(COC)c[nH]1)C2 1792489936 DFMCSWWDFWOWNI-DFVPARBNSA-N 416.478 0.223 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 1793381675 JUWMGXXNYGFTSU-YALNPMBYSA-N 401.598 0.579 30 20 HCED CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n[nH]1 1794560245 ZNNSXVQVWNRIFY-APRGLNETSA-N 416.482 0.287 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn(C)n2)c1 1794593779 IBRIOWHHHVVHMO-NKGKWGDASA-N 408.462 0.959 30 20 HCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)on1 1794780082 RBRYXOJWGWCRTP-BUYPDWFPSA-N 406.439 0.715 30 20 HCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1795419805 CPXWIUYSTATARZ-CCWDJLKJSA-N 415.446 0.343 30 20 HCED O=C(CCN1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795468512 JJSQZVKCAPTNEY-JHDGKUDLSA-N 411.502 0.350 30 20 HCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)cnn1C 1797781252 DNETXJJBRCDOAP-XEMDLRDOSA-N 414.506 0.630 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799322974 LKOKTERGSCRTKN-HEFCWWFNSA-N 413.449 0.868 30 20 HCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccn2)C3)ccc1F 1799325230 GOPGLOMFMHIFSI-UPHUGPLXSA-N 411.437 0.726 30 20 HCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C2 1800110052 RNHBNDOTCXOWHC-AKHDSKFASA-N 420.554 0.770 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800175605 ZLOIBRBTZPFOQC-ZTENYAIWSA-N 404.467 0.296 30 20 HCED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2CC(=O)NC2=O)C3)c1 1800682165 MRDWXBHTJVGZNO-BTTYYORXSA-N 413.409 0.501 30 20 HCED CS(=O)(=O)CC(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1806767864 AGZHBYIGTCJNLB-MAUKXSAKSA-N 415.475 0.646 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807678262 QBKMLHAUXXWVQL-IEBWSBKVSA-N 424.509 0.661 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc(Cl)nn2)[C@@H]1c1cccnc1 1810688700 QRXYHRVHGJLUOV-ACJLOTCBSA-N 413.821 0.933 30 20 HCED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812352796 FMJRMRDUIHUNFT-YEWDVWPNSA-N 417.491 0.980 30 20 HCED Cc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cc(O)n1 1812878900 NFKPYWOFOLCWMT-MGPUTAFESA-N 408.414 0.898 30 20 HCED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814809668 BHIDGOXIPNDMJI-UWVGGRQHSA-N 415.466 0.859 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4ncnn4c3)sc2C1 1819402306 AIYMWKNTYTXKJT-NSHDSACASA-N 410.415 0.500 30 20 HCED C#CCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819449288 RDWNQFLBAKCVCV-OXQOHEQNSA-N 403.483 0.856 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CCc2nc(N)n[nH]2)CC1 1828802655 VZURSWHVMVFVFY-NVXWUHKLSA-N 416.526 0.978 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830619366 XAZDBESEETWYDD-OFNKIYASSA-N 414.502 0.902 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C3CC3)CCO2)C1 1830796628 VNMXWSCBAKXMBS-IRUYWQDXSA-N 406.479 0.918 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1831421502 KDMOIKKHKBPQJT-UGKGYDQZSA-N 423.554 0.910 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1831425890 HKOJNMOSNVGDHW-QRWLVFNGSA-N 407.442 0.882 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831857927 NFBUHTFFZZDSKM-IFXJQAMLSA-N 407.471 0.589 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832811141 IDSYLLYHRZGWME-LAUBAEHRSA-N 420.510 0.372 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)c(C)n3)CCO2)C1 1833687588 QDNKWANHCFIKHN-PGRDOPGGSA-N 415.490 0.807 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3nc(C)c(C)[nH]c3=O)CC2)CC1 1833940785 AXNCWHXATAVNMU-UHFFFAOYSA-N 413.522 0.985 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834125144 LZRPUEGWVWEOJG-HRAATJIYSA-N 419.478 0.751 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834326390 BCQGTQGLCWJIAC-JXFKEZNVSA-N 406.483 0.063 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834633716 BTOCXNMSGMBEAT-HNNXBMFYSA-N 409.531 0.447 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1OC 1834765417 FTLUPHQIBFXSEC-HXUWFJFHSA-N 403.435 0.687 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1835473880 BSAYTYLCGWLRAH-INIZCTEOSA-N 418.368 0.263 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835823547 UIAYNRMNZXENNG-REWPJTCUSA-N 413.518 0.989 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836131425 ZDWGMKDNCRXVRB-IERDGZPVSA-N 419.478 0.678 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1837563084 JKZFYEILAMAGAA-SVRLSDIQSA-N 402.407 0.457 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565023 IZPFWYJPUSHERN-CUDRYGEXSA-N 419.478 0.770 30 20 HCED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362310 KZVWHFZBEOKAHS-JOCHJYFZSA-N 423.473 0.870 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839415648 VUSYFSGJJZPVDQ-HXUWFJFHSA-N 417.418 0.784 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422286 MDFITFHFNVRMNW-VLIAUNLRSA-N 405.426 0.802 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1839890605 IGYBGJWUCHHAAQ-SFHVURJKSA-N 412.437 0.630 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1)C(F)(F)F 1839891531 KHFWHAOMMXUGRF-CQSZACIVSA-N 406.386 0.727 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840160206 AUSKPAWTQGMGLP-RRMPHLOHSA-N 419.547 0.476 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1840447806 GVXCGFLBUPBFBV-NRFANRHFSA-N 424.461 0.310 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840494682 NCOHQQCQOGAGPC-UYAOXDASSA-N 423.535 0.741 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(Cl)nc4)C3)C2)CCC1 1840811844 YMRXXESERDXOMI-IBGZPJMESA-N 419.869 0.894 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840851734 QPGGKMGUAJMVEK-UZLBHIALSA-N 408.499 0.297 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)c1 1842058542 QQIIDQGSPZPUGD-ZDUSSCGKSA-N 422.445 0.710 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CCc1ccc(C#N)cc1)C2 1844382785 ORQFSXIJXGJXSW-LJQANCHMSA-N 412.490 0.845 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)N(C(=O)OC(C)(C)C)C1 1846449030 GRNRZTPCDUANKZ-AWEZNQCLSA-N 420.514 0.238 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)N1CCCC1 1847830018 AEJNTYGXYJOZAP-OFQRWUPVSA-N 403.570 0.568 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 105579782 GACXTAGFNYBYOS-KRWDZBQOSA-N 405.476 0.062 30 20 HCED COC[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 142359004 DNVWZMVXHOAMDB-JPDJOPTESA-N 410.496 0.837 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 438311245 FEKFWPMATPFBLW-UHFFFAOYSA-N 413.463 1.207 30 20 HCED N#CCCN(CC1CC1)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 439591055 FPHFAEVTKWFQEH-UHFFFAOYSA-N 401.471 0.771 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)c(OC)c1 440080748 YPJVLHSEWDZOFR-UHFFFAOYSA-N 403.482 0.496 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(C)c3C#N)CC2)no1 441971692 MJHXIXRETMGBRZ-UHFFFAOYSA-N 403.464 1.108 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 443294863 MOESSMVMJZIGLI-ZDUSSCGKSA-N 414.340 0.759 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCCS(=O)(=O)c2cccc(C)c2)c1=O 463325831 IRXVWRQXTCPTHB-UHFFFAOYSA-N 405.476 0.716 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 465422960 PMSBSCOQBJXVJM-CQSZACIVSA-N 417.433 0.605 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCCCN2CCN(CCO)CC2)c1 475821664 PVWKVNVZMIHHSN-UHFFFAOYSA-N 400.932 0.880 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C1CC1 477030031 AEWVQAWBUFHJET-UHFFFAOYSA-N 419.528 0.971 30 20 HCED COC(=O)CCN(C)S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 486985646 VYWKTXWWENDHGL-UHFFFAOYSA-N 420.495 0.588 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2Br)c1=O 489195934 LKZZVJARBALQDK-UHFFFAOYSA-N 404.289 0.991 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)c1 500318099 TWDRJFNFTAJGMP-INIZCTEOSA-N 403.435 0.860 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c1=O 505694848 QGGAJAVHYSSLQZ-UHFFFAOYSA-N 401.536 0.883 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC(=O)N1C 506825233 WQZGPDGSIMYMKT-CQSZACIVSA-N 411.462 0.897 30 20 HCED C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508842660 YVMCUMBANPSXND-UHFFFAOYSA-N 424.425 0.375 30 20 HCED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513088890 MBAUOKCPOKRABB-NSHDSACASA-N 407.427 0.761 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2C)C1=O 513896724 DIIWWZVSTFYYMC-UHFFFAOYSA-N 417.353 0.106 30 20 HCED N#Cc1cccc(OCCCCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 517670470 WFKMGYWLZMYYHS-RTBURBONSA-N 421.519 0.721 30 20 HCED CNC(=O)NC(=O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 535135853 UDFYBKFBTZGYRH-UHFFFAOYSA-N 404.120 0.905 30 20 HCED CNc1nc(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 536909528 JJHAHWALFFMCBC-UHFFFAOYSA-N 400.464 0.845 30 20 HCED CCCCn1c(N)c(N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(O)nc1=O 538148052 UMVCLQYOIFSTDK-HNNXBMFYSA-N 419.530 0.460 30 20 HCED C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 542995342 GRWSEUMWACTWSJ-FFSVYQOJSA-N 410.409 0.947 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(F)c(F)c3)CC2)c1C#N 550730462 APSQVUVNDLMKRT-UHFFFAOYSA-N 402.405 0.843 30 20 HCED CN1CC[C@H](N2CCC(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1=O 552045460 HLLIKALGMXKTLZ-SFHVURJKSA-N 418.519 0.284 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN(S(N)(=O)=O)CC2)n(C2CCCC2)c1C 553463879 WLTNPEUEZCTUKJ-UHFFFAOYSA-N 408.528 0.851 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)CC)CC1 555240886 VZDLSUSBPNGYSC-UHFFFAOYSA-N 419.511 0.973 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)CC2 555770707 NIKWZGVHBBUCGN-INIZCTEOSA-N 420.491 0.052 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCCS(=O)(=O)C3)C2=O)cc1 557998478 WTJBDVXZXSCORL-SJORKVTESA-N 404.492 0.783 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(Br)cn1 563934035 HYYJGLJPCABICZ-UHFFFAOYSA-N 406.244 1.051 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 564749441 GMPZSYDJQHWIJH-UHFFFAOYSA-N 415.471 0.121 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CCc3cccn3C)CC2)c1C#N 583135647 YGIDWPZPZURDES-HNNXBMFYSA-N 411.510 0.725 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1 583470107 VAVCOUWQKKIODG-INIZCTEOSA-N 404.492 0.601 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 583647192 JBKXPOPOFVXRCU-UHFFFAOYSA-N 413.522 0.871 30 20 HCED Cn1c(=O)c2nc(CN3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[nH]c2n(C)c1=O 611551140 IIKJMNIZNYODII-HNNXBMFYSA-N 411.441 0.482 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617056884 FRNVAISSEUMDIZ-GOSISDBHSA-N 412.494 0.075 30 20 HCED CN1C(=O)COc2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 619644069 PGQDMWPPFVWWRQ-UHFFFAOYSA-N 420.429 0.596 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1=O 623218167 FQSIRAHGCORJDB-UHFFFAOYSA-N 416.409 0.523 30 20 HCED CC(=O)Nc1nc(C(=O)NCC#CCNC(=O)c2csc(NC(C)=O)n2)cs1 680339453 HCNSXWYUTRARDD-UHFFFAOYSA-N 420.476 0.680 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)nn(C)c2C)c1=O 725764059 HKXWUHIOPOVOSD-UHFFFAOYSA-N 417.535 0.324 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1 729257796 OKWITKRTVUGUNS-UHFFFAOYSA-N 402.407 0.279 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCn2cc[nH]c(=O)c2=O)c1 730097602 BUZJCQYFBMLGGL-QNGOZBTKSA-N 419.463 0.378 30 20 HCED COc1ccc(CN(CCO)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 732467587 VNQJUGQWVIKZHE-VHEBQXMUSA-N 418.450 0.734 30 20 HCED CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732898071 IGESBGWMMXYHNF-MZMVGHNJSA-N 424.523 0.961 30 20 HCED CC1CCC(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)CC1 732911235 ZUYZTTJANOVQCY-GYTBAZASSA-N 409.508 0.379 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H](c1ccccc1F)N1CCOCC1 742665361 VUAREGSBYGCJIT-GHNGSUTGSA-N 402.426 0.842 30 20 HCED N#CCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 744559401 PPYUVHPXMIMHCV-OAHLLOKOSA-N 418.475 0.291 30 20 HCED CN(C(=O)COC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(C)(C)C#N 745387410 MWFMVVIDTTVZAP-AWEZNQCLSA-N 414.418 0.220 30 20 HCED COC(=O)COc1c(C)cc(C=NNC(=S)NCCN2CCOCC2)cc1C 746486694 FWQWRFORKHDOHC-UHFFFAOYSA-N 408.524 0.985 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746564453 DNNHVKTZGCFNPG-UHFFFAOYSA-N 411.439 0.943 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 747739098 UDRISJWVSJUPIH-UHFFFAOYSA-N 407.492 0.213 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCOC1 749870776 VNTCESBPYKAJPQ-CQSZACIVSA-N 415.519 0.099 30 20 HCED CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 752407914 IZFVGJUMAWMYCM-CQSZACIVSA-N 416.438 0.985 30 20 HCED C#CCN1CCC[C@@H]1COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 756551599 OLFAHYOUYFEBOS-QGZVFWFLSA-N 408.524 0.770 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 758079239 HOMABVMSBLWNAK-UHFFFAOYSA-N 423.494 0.686 30 20 HCED CN(C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N 758092227 RRKKLPSTIJWIBE-CYBMUJFWSA-N 417.871 0.283 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 758638635 CASJGMMAIMUHQC-DOMZBBRYSA-N 419.467 0.700 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C2CC(O)C2)c1 759405921 PKMHOHSUEFNBLZ-CAPFRKAQSA-N 408.480 0.420 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 761028388 GSOUHWNYILDKIV-FQEVSTJZSA-N 420.535 0.348 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2nc3ccccc3s2)CC1 761030547 IFXOGJMEUZDDQR-ZDUSSCGKSA-N 407.521 0.709 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1 766463525 URXZAWGQCLSDOT-UHFFFAOYSA-N 409.489 0.965 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 766986553 HDOVCXVCRWKCRI-UBHSHLNASA-N 419.459 0.935 30 20 HCED Cc1cc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n(C)n1 767675360 IDVPKABAMATWCF-LBPRGKRZSA-N 405.436 0.449 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C)C(=O)C1 774293557 TVGAWJWFIDITME-CYBMUJFWSA-N 406.464 0.111 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 774480764 ARUUHQNMIYTVTR-UHFFFAOYSA-N 405.415 0.449 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C1CC1 777312444 CARIBHFAJIOYTA-KBPBESRZSA-N 413.496 0.646 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 781530462 VQRFPWPSSLGUQZ-DVEDPGPFSA-N 424.523 0.613 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782243977 AAMOMHTYQMEXAC-UHFFFAOYSA-N 420.472 0.308 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 783011148 KOXNBFSEYUCYMR-GOSISDBHSA-N 420.535 0.720 30 20 HCED COCCOC(=O)c1c(NC(=O)C(=O)N(C)C[C@H](C)C#N)sc(C(N)=O)c1C 783429011 ZAGOPVRMWAEEBI-SECBINFHSA-N 410.452 0.515 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 783535724 ISIIIDDZMYNCHJ-UHFFFAOYSA-N 403.526 0.530 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 792445312 PUAFDFCBALUVJO-MRXNPFEDSA-N 420.535 0.869 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794645416 MWFAGJBHPRLVKL-CQSZACIVSA-N 418.544 0.505 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 796144765 VIMZSJJUDVCNRE-UHFFFAOYSA-N 401.202 0.799 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1=O 798617703 NPQXSMNGTSTLDU-SWLSCSKDSA-N 407.448 0.017 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 800058782 ZRNUJCYSMRQQKJ-CZUORRHYSA-N 412.487 0.907 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nnc(S(C)(=O)=O)s2)cc1 803254651 GDEPHCWIEZSKHI-UHFFFAOYSA-N 417.490 0.763 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 805274871 FJMXRRUCPYIZAM-WDEREUQCSA-N 403.530 0.964 30 20 HCED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809501940 XPGRBXRMJDOXMV-ZBFHGGJFSA-N 416.478 0.573 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1 814550030 IWCICQLPGUDGBB-ZDUSSCGKSA-N 408.455 0.697 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1 816774287 SOTROCUVRGFZSY-SJLPKXTDSA-N 402.476 0.982 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)N2CCCC2)CC1 821692593 KBBGSCICTMOHRL-UHFFFAOYSA-N 419.507 0.475 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 852628949 RSVLBPLYMXYZKB-KYOSRNDESA-N 414.867 0.145 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 916199989 REYQMUIZQFNMHJ-UHFFFAOYSA-N 414.443 0.246 30 20 HCED CCCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 916878458 XJLUHWGAFXBOKL-HNNXBMFYSA-N 410.496 0.675 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2ccncc2)cc1 917942077 MQKSZLYOQHPUKU-UHFFFAOYSA-N 402.432 0.860 30 20 HCED CNS(=O)(=O)c1ccc(CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1116025219 KJURPFLTOUXFAJ-ZCXUNETKSA-N 406.464 0.170 30 20 HCED Cc1ccc(C(=O)NC[C@@H](CO)CC2CCOCC2)cc1S(=O)(=O)NCC#N 1116801616 IUAGAJDDKCCGLC-INIZCTEOSA-N 409.508 0.952 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCOC2=O)CC1 1148767913 OASLNPPXGQMIOZ-CYBMUJFWSA-N 406.464 0.668 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286627542 ILKLQWAKMGSQLO-HNNXBMFYSA-N 421.933 0.726 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1319064787 ASYOBUVCUKDEEO-INIZCTEOSA-N 423.477 0.424 30 20 HCED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cnc1C(F)(F)F 1344088854 XEKIFFNQZSYOLX-UHFFFAOYSA-N 415.357 0.237 30 20 HCED COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 1588158361 UOSBKJREBWMOPO-UHFFFAOYSA-N 417.447 0.225 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1631886857 YUHFVTDXHMURSS-CHWSQXEVSA-N 405.455 0.972 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](n2cncn2)C(F)(F)F)cc1 1632048220 OEQFRWKVWBPTSH-LBPRGKRZSA-N 402.358 0.348 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](CS(N)(=O)=O)C2)CC1 1654974871 KIMHDDFPIUDYNG-GJZGRUSLSA-N 411.553 0.067 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(-c2ccccn2)n[nH]1 1686459865 ZBSUACHMGZQCLY-CYBMUJFWSA-N 404.438 0.949 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1711273860 IVJCCGLOWGIKMB-NRFANRHFSA-N 409.494 0.585 30 20 HCED CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1728500903 OWJDRBISYOPWAP-GJZGRUSLSA-N 413.548 0.347 30 20 HCED C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1741831585 CIJUJIANIJYFAA-NVXWUHKLSA-N 400.531 0.641 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1749245574 LRCRXSGJFBEGTR-UHFFFAOYSA-N 421.465 0.403 30 20 HCED CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1771411111 KIGDXFPWVZQZFF-UONOGXRCSA-N 406.512 0.870 30 20 HCED 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C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)C1=O 53270886 FBEMJUZRZMYKBU-ZDUSSCGKSA-N 400.435 0.808 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 410157166 WUEJDRSKYYLJGE-ZDUSSCGKSA-N 404.514 0.434 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)cc1Cl 427247007 WJCUIWGPSFSWLE-UHFFFAOYSA-N 404.857 0.598 30 20 HCED Cn1cnn(-c2ccc(NC(=O)C(=O)N(CCC#N)Cc3ccccn3)cc2)c1=O 439593395 HHZJMTGMZOUDPN-UHFFFAOYSA-N 405.418 0.847 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)cc1 442307338 PZJXRULFFZHKLP-UHFFFAOYSA-N 420.429 0.118 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O 442353212 LKWQZSDZHKOPJA-GFCCVEGCSA-N 417.447 0.786 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 461288818 FLHWLWFTCQWUBM-BQGCOEIASA-N 406.402 0.548 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 465276970 UVLKQDDPYNBJKH-LRTDBIEQSA-N 419.445 0.754 30 20 HCED COC(=O)c1ccsc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465427584 YKHQJFWBEUWPHP-LLVKDONJSA-N 414.447 0.872 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCc3nnc4n3CCCCC4)CC2)c1C#N 471858671 ICRZRZSTMXFNDH-UHFFFAOYSA-N 411.514 0.992 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 473441287 FOKSGSUZWIOKRG-UHFFFAOYSA-N 401.467 0.518 30 20 HCED COCCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 478017505 OKZQTANQKLDAJG-MRXNPFEDSA-N 400.522 0.858 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487162994 SQSSNVWCILVTEM-DLBZAZTESA-N 419.507 0.382 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 490646854 BMFKNHAOLZHDAB-UHFFFAOYSA-N 403.439 0.789 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCCCNC(N)=O)CC1 494510640 YSUBFBOYFWCPIC-UHFFFAOYSA-N 407.496 0.620 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cn(C)nc2-c2ccccc2)CC1 495931578 QFHQUJTUHCETOM-UHFFFAOYSA-N 424.505 0.150 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498536891 YZEBVUWMQGSRNK-SJORKVTESA-N 419.507 0.489 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 498866138 KOUWIBXMZLMZKS-HNNXBMFYSA-N 403.870 0.597 30 20 HCED N#Cc1nc(N)n(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 504172770 FFHFPGVRAAJGGU-UHFFFAOYSA-N 402.436 0.309 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NCCOC)c(C(=O)N2CC(O)(CC#N)C2)c1 506363487 MUDSZXQVQIAYJP-UHFFFAOYSA-N 424.523 0.876 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1C[C@H](C)O[C@H](C)C1 506907734 HTUGVPNXFLQCST-OKILXGFUSA-N 405.480 0.936 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CCn3cc(S(N)(=O)=O)cn3)C2=O)cc1 508135693 QQGYYCJJURBWAF-INIZCTEOSA-N 416.463 0.104 30 20 HCED COc1cc([C@@H](C#N)NC(=O)CNC(=O)c2ncccc2O)cc(OC)c1OC 510589145 DRNZBMUROGQTIE-GFCCVEGCSA-N 400.391 0.924 30 20 HCED COc1ccc(NC(=O)C(=O)NCC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 510637302 GMVLXBROQFMDDV-UHFFFAOYSA-N 424.479 0.321 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)n2)cc1 511902375 FCIZQELZQXHJAH-KRWDZBQOSA-N 416.445 0.927 30 20 HCED CNC(=O)[C@H](NC(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)c1ccccc1 513589395 WANHOBCQJHCOKX-YBVWCTEOSA-N 417.469 0.935 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCCO1 514006137 APTRYSKBCFIICI-SFHVURJKSA-N 420.535 0.892 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532362675 XTJBZSJCOYCAEZ-UHFFFAOYSA-N 405.483 0.758 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@@H](Cn4cncn4)C3)n2)c(F)c1 542071302 WWLAAXOPAZTQPW-CQSZACIVSA-N 424.396 0.341 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3CN3C(=O)CNC3=O)no2)C1=O 547015328 GPFYWOBFYQLIHP-UHFFFAOYSA-N 424.373 0.265 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc([C@]4(C)NC(=O)NC4=O)c3)no2)C1=O 547069985 ZHDNSZMFOUIIRH-IBGZPJMESA-N 424.373 0.268 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 549340897 WCWGWHWHECVFLE-KRWDZBQOSA-N 408.462 1.085 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1O 550652791 ADTBKCDEUKEZSY-NZSAHSFTSA-N 405.495 0.617 30 20 HCED CC(C)N=c1[nH]c(=NCCO)[nH]c(=NC2CCC(Oc3ncccc3C#N)CC2)[nH]1 553200701 MCQLLTFOGYXQRQ-UHFFFAOYSA-N 412.498 0.431 30 20 HCED C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555240645 MRRAYYVMZHLLGO-AWEZNQCLSA-N 414.441 0.719 30 20 HCED CCOCCOC[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 556184465 CJCPVNWXMHUPJW-CYBMUJFWSA-N 414.256 0.789 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc21 556326921 FVMAYULVQDXVGX-OAHLLOKOSA-N 421.413 0.927 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)C1=O 563909417 HPIZCGBUASZUEZ-IAGOWNOFSA-N 404.511 0.672 30 20 HCED C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 565063187 VVQOURBOTZZTSO-ZDUSSCGKSA-N 424.421 0.251 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2cccs2)n1 565337362 ZKBJAUIWTGOCAT-INIZCTEOSA-N 421.442 0.839 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CC2 565556507 NXWMDZSETOYGHD-GOSISDBHSA-N 407.478 0.234 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)O)cc1Br 571478996 PDKKTJFCHNTYBJ-FIKIJFGZSA-N 407.267 0.527 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2ccc3c(c2)OCCO3)c1 581205906 QVLSALOZIAFVTP-UHFFFAOYSA-N 401.444 0.967 30 20 HCED CCN(C(=O)CN1CCN(c2snc(C)c2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 582294044 KWGJHKRPGJGCGX-CQSZACIVSA-N 411.553 0.481 30 20 HCED COC(=O)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 589251502 OBPUOTDFGHTASN-SFHVURJKSA-N 422.507 0.178 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 589301620 RCTXSZINVMSEGT-UHFFFAOYSA-N 422.488 0.061 30 20 HCED CCCN(C(=O)[C@@H](C)N1CCN(c2cnccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 590013977 PIAXDRNKURSSIO-AEFFLSMTSA-N 419.551 0.889 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC3COCCOC3)ccc21 590278457 ZQDZKSANHSEOFO-UHFFFAOYSA-N 400.435 0.740 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C)c2=O)c1 603993516 YVVKETRBAPTACW-UHFFFAOYSA-N 401.488 0.501 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cc1 606019274 YYPBJDMXPGWMSE-UHFFFAOYSA-N 411.484 0.330 30 20 HCED CN(CC(=O)NC1CCN(C[C@H]2CCOC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 609886403 OLVACMUBETZIQZ-QGZVFWFLSA-N 420.535 0.796 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 611078615 UDYIZWMKJRQBHO-UHFFFAOYSA-N 422.869 0.217 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)N(CCO)CCN2CCOCC2)cc1 611136879 ZTIOWVDAVOTEHB-UHFFFAOYSA-N 409.508 0.531 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 613307757 BKTDPZGMTYOMJR-UHFFFAOYSA-N 406.395 0.608 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(CC)C[C@@H]2COc3ccccc3O2)CC1 728573883 ZNOMUKBYMPSGSS-GOSISDBHSA-N 414.506 0.042 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 730572899 UQVJGBKLXJJFMQ-UHFFFAOYSA-N 404.517 0.866 30 20 HCED C#CCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 733360028 LYFJCJWKYAWLQN-UHFFFAOYSA-N 406.508 0.481 30 20 HCED Cc1cc(NC(=O)COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 733831737 ULTPYROEYAEMQD-HNNXBMFYSA-N 424.417 0.987 30 20 HCED CCOC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737236222 LWPOEDBGONKAPB-QNGOZBTKSA-N 424.479 0.507 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1C#N 752395884 AETNMOQKIARWRD-UHFFFAOYSA-N 401.379 0.330 30 20 HCED C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 755361939 PSUKTDHMXHLXHH-FRTIYWTKSA-N 409.439 0.878 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 756458970 MTZHDAUDSCNJSK-RBUKOAKNSA-N 410.438 0.484 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1 760405113 XJDMJYZTFTWLJL-UHFFFAOYSA-N 402.498 0.799 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1 763483240 LGXXMQWBMWURMS-SOKVYYICSA-N 420.516 0.277 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 763707058 WULOXVHSROWALJ-UHFFFAOYSA-N 407.415 0.816 30 20 HCED C[C@H]1CN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 767676303 AOKMZWYDKHCWHG-HZSPNIEDSA-N 409.464 0.404 30 20 HCED CCOC(=O)N1CC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 771577383 YQKWERQWFUUGAU-CYBMUJFWSA-N 408.480 0.852 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CSCCN2C(=O)OC(C)(C)C)CC1 772079733 IMHIQZWHHHARML-MRXNPFEDSA-N 424.567 0.623 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCO[C@@H]2C[C@@H](N(C)C)CC[C@@H]21)c1cc[nH]n1 772436710 VQBMKGTWPSBTAV-CWRNSKLLSA-N 407.471 0.404 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](COC)C(=O)OC 778505213 ULUMEIDXHOSDOT-KBPBESRZSA-N 411.480 0.588 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 781598666 ARCLWIBOLGMYPQ-HNNXBMFYSA-N 415.406 0.622 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc3cnccc3c2)c1=O 782783088 KHVGPHUANFCJPO-UHFFFAOYSA-N 400.463 0.896 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 784922988 BPAHJJGTGIWRCW-UHFFFAOYSA-N 404.444 0.690 30 20 HCED CC[C@H](NC(=O)[C@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787039077 QCDXHOMYUCTVCM-CABCVRRESA-N 422.445 0.410 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@H]1CCCS(=O)(=O)C1 792034499 JQEMQJNZORORTQ-GXTWGEPZSA-N 400.478 0.593 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 793937894 QQCJDQBQQWVQKK-SNVBAGLBSA-N 404.286 0.797 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccncc1 805812573 ZFIZGIFHVLBFOU-KRWDZBQOSA-N 420.477 0.841 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC 810773165 UUOBHJHYRYOLQW-UHFFFAOYSA-N 404.448 0.867 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCOC 916198781 WMMJSOMGYZLFQV-UHFFFAOYSA-N 419.478 0.351 30 20 HCED CN1CCN(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1152053570 UCBRGVBCYWZEFR-UHFFFAOYSA-N 419.551 0.354 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1301968789 PVCAOYDZVIDGIG-UONOGXRCSA-N 414.532 0.368 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1316532647 SCSOTFXRTGTTAG-MSOLQXFVSA-N 420.470 0.255 30 20 HCED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](C#N)C1 1318300422 KTNJQLYOZJXQNH-IUODEOHRSA-N 413.883 0.624 30 20 HCED Cc1nsc(N2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1318896562 XUMWGMCRFHAHHX-PFONDFGASA-N 405.484 0.595 30 20 HCED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC(O)(CC#N)C1 1322434581 KISAUFBSWYLAGO-CQSZACIVSA-N 413.883 0.360 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3ncc(C#N)cc3Cl)CC2)cn1 1360721440 SFPUHZOPGNZWKK-UHFFFAOYSA-N 408.871 0.923 30 20 HCED COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1517739444 JRSUYZSKPWSYSD-KBPBESRZSA-N 414.532 0.632 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1616950878 MNDVZCYIHRCKMR-IAGOWNOFSA-N 419.530 0.486 30 20 HCED N#Cc1cn(CCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)c(=O)nc1O 1630030800 WOXMGWDDEOQGRK-ZDUSSCGKSA-N 405.208 0.703 30 20 HCED COC(=O)[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1Br 1632535948 YZMMYHSECUWEEO-CYBMUJFWSA-N 421.207 0.614 30 20 HCED COC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1638141946 NTCHXIDCZQSAGQ-QGZVFWFLSA-N 417.443 0.851 30 20 HCED CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCS(=O)(=O)CC1 1645411150 KOWNMXOYIZVKTP-CYBMUJFWSA-N 410.883 0.668 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)c1ccccc1C#N)C1CCCC1 1663381327 LYQVLFDXVUBJEQ-HNNXBMFYSA-N 400.526 0.791 30 20 HCED CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1690868160 UVUIHFNHJPXOAL-IBGZPJMESA-N 415.477 0.285 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@@H](F)C1 1751237398 RGKTWEAPBOSBCM-REWJHTLYSA-N 400.480 0.755 30 20 HCED Nc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cs1 1779065255 XMHPPFDENNJPKA-HXUWFJFHSA-N 418.519 0.867 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779092617 RZUSEKJMSPHCMJ-YFVAEKQCSA-N 407.511 0.235 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1779100579 DFZDHOYJGDKFSD-XCKVFWMBSA-N 419.434 0.612 30 20 HCED Cn1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779104856 OVCPIMUUNOSZNU-JJTSJLALSA-N 419.482 0.322 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779315677 PLPNECAOFBOHKJ-WIYYLYMNSA-N 414.462 0.153 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1780338374 WDQWMACEUSXBPL-MRXNPFEDSA-N 413.356 0.008 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCNC(=O)C1)C2 1780808141 UAWAMBSJARUUSK-BZLDKRAPSA-N 422.526 0.827 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1781270819 XOKVGQGDPBJWNB-GOSISDBHSA-N 421.410 0.271 30 20 HCED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CC1 1783215276 HBTOQXVDSOYCOF-OAQYLSRUSA-N 418.490 0.468 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(C#N)c1 1783565808 QKHNBIHMMUUCAI-OAQYLSRUSA-N 411.414 0.027 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783978452 XXOBVAKJKQCZPP-OAHLLOKOSA-N 409.430 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C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840341357 LFGWJWJWJBAHLY-WXVIEYATSA-N 404.467 0.470 30 20 HCED N#CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880414 NKGNGUBLKGVIEG-WLMDGNKMSA-N 417.418 0.187 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1841609138 JVOLVGMJOSIMDZ-HNNXBMFYSA-N 413.540 0.453 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2 1844252590 KEAWGSPEZQVVJR-INIZCTEOSA-N 406.603 0.834 30 20 HCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846230066 QGKPERJELCPXRO-LIRRHRJNSA-N 406.483 0.864 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1CS(C)(=O)=O 1847801381 RLBGSFWGYXTISP-WBAXXEDZSA-N 419.503 0.480 30 20 HCED Cc1nccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 56473169 QVLLFKQKKWBUIE-UHFFFAOYSA-N 400.464 0.873 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 62644167 WLWARNVNBLVOTM-UHFFFAOYSA-N 415.494 0.812 30 20 HCED Cc1cc(NC(=O)CNS(=O)(=O)N2CCO[C@H](C#N)C2)ccc1Br 409586217 USJTVKITGNWFSC-GFCCVEGCSA-N 417.285 0.755 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C2CCC2)c1=O 431025922 QIIOZKHPNVOPKD-OAHLLOKOSA-N 413.503 0.167 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H](N3CCCS3(=O)=O)C1)CC2 435208846 UNPYIWBQUXGBFM-INIZCTEOSA-N 402.476 0.474 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1=O 440276341 VVLQKIYOFUBOBC-CQSZACIVSA-N 418.406 0.874 30 20 HCED C=CCN(CCNS(=O)(=O)c1cnn(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 441319141 UQXWRPMASHHZKF-OAHLLOKOSA-N 416.511 0.923 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 441724451 DCTTUIKZMFPWBM-IRXDYDNUSA-N 402.499 1.158 30 20 HCED C[C@@](O)(CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)CN1CCOCC1 442036327 SXYWSZZSPRUSGB-HSZRJFAPSA-N 422.485 0.619 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 442319114 UTCQBGNCKAOMMA-UHFFFAOYSA-N 416.478 0.685 30 20 HCED C=CCNC(=O)Cc1noc(CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 445329595 DWLILOUQIUQJII-UHFFFAOYSA-N 422.463 0.597 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 465343709 QORHJCZWIRBRNT-CYBMUJFWSA-N 410.496 0.261 30 20 HCED COc1cc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc(OC)c1OC 468999064 LJHBVORAADOGTJ-CABCVRRESA-N 404.467 0.803 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ncnn1CC(F)F 470570764 RXWYBJNIOANVSV-NSHDSACASA-N 412.422 0.740 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 487753254 LPGLPCVHXMAINO-HOTGVXAUSA-N 401.529 0.500 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 488100802 ZFTGQESIHPARBS-MRXNPFEDSA-N 400.545 0.701 30 20 HCED CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)N1CCN(C)CC1 498446475 UBEQCKOAOKBTDR-IBGZPJMESA-N 421.567 0.880 30 20 HCED COCc1nc([C@@H]2COCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)no1 501989707 NUQLEIJTTNKPKB-LBPRGKRZSA-N 409.380 0.758 30 20 HCED CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 503334586 RVGZFTMOBWSVRE-UHFFFAOYSA-N 406.446 0.877 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)nn1CCC#N 505073664 GVPQMVAAIOCSNW-MRXNPFEDSA-N 415.498 0.199 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 508306948 CDUPKFOYBNZZEN-QGZVFWFLSA-N 404.492 0.589 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 508496660 FQNLBUCDMMJESB-UHFFFAOYSA-N 416.449 0.763 30 20 HCED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 508917354 JFXGWHVYQUUANU-JKJDWNRSSA-N 409.512 0.411 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCOCC1 508962152 PHUMMWNPVSOFKU-UHFFFAOYSA-N 419.507 0.989 30 20 HCED Cc1ccc(C(=O)NCC2CCN(CCN(C)C)CC2)cc1S(=O)(=O)NCC#N 511023743 AIMDFLSGFGPOBO-UHFFFAOYSA-N 421.567 0.800 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)c1 521884384 PJQWTMQGPQXZLT-UHFFFAOYSA-N 408.524 0.433 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3nc(C)no3)CC2)c1 524587552 RNLIFAOCMZWPKB-UHFFFAOYSA-N 405.480 0.800 30 20 HCED CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 526112622 YTCFLMBVAYBVRQ-UHFFFAOYSA-N 408.480 0.797 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)n(CCC#N)n1 533321866 IVQODNUPJRGJJA-INIZCTEOSA-N 424.461 0.840 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)n(CCC#N)n1 533457749 SERWZFJMFDNMCH-ZDUSSCGKSA-N 415.406 0.329 30 20 HCED O=C(CN1CCC2(CC1)NC(=O)NC2=O)NCC#Cc1cccc(C(F)(F)F)c1 535545182 DGTIJVRXCDGGSJ-UHFFFAOYSA-N 408.380 0.847 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCS(N)(=O)=O)c1C 535638284 SSSJYRYTGWLEMW-UHFFFAOYSA-N 404.452 0.094 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)O 542858456 IBVIWKSKVKNRJH-ZDUSSCGKSA-N 400.478 0.616 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1=O 546073310 IPZBHTRRZVECFG-AWEZNQCLSA-N 405.473 0.605 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)nc1 550781384 SFOXHSTVNOHTAC-SFHVURJKSA-N 420.473 0.905 30 20 HCED COCCCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 554149960 GQNAWCVAEIWNAL-MRXNPFEDSA-N 406.458 0.640 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 556205624 GGNSEBKICBVQJR-SFHVURJKSA-N 416.526 0.410 30 20 HCED COc1ccc(CN2CC[C@H](Nc3c(C#N)c(=O)n(C)c(=O)n3C)C2=O)c(OC)c1 561430027 AFPYEBHGPSKIGA-HNNXBMFYSA-N 413.434 0.186 30 20 HCED CN1CCC(C#N)(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 568935558 BYAAMWZDJRNONP-UHFFFAOYSA-N 415.313 0.832 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 589051761 HIKXNGFHJJXFLE-CYBMUJFWSA-N 409.464 0.417 30 20 HCED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 609485292 MQWLYOKWIAVITE-DNVCBOLYSA-N 419.551 0.777 30 20 HCED CCOC(=O)c1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 613562253 MYSOFTGJTDLGCA-VIFPVBQESA-N 409.449 0.892 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](N4CCNC4=O)C3)C2=O)cc1 617057382 PUBXIUHPEHLVPJ-QZTJIDSGSA-N 410.478 0.858 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 618880702 PWEILJXZCIGAIR-QGZVFWFLSA-N 405.414 0.516 30 20 HCED C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 670232944 RFVRSXVAZYAMFY-UHFFFAOYSA-N 424.483 0.203 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2CCN(CC#N)CC2)cc1 673937396 RXCUVZMNYBTJAV-AWEZNQCLSA-N 406.508 0.908 30 20 HCED C#CCNC(=O)CN1CCN(c2nc(C)nc3sc(C(=O)OC)c(C)c23)CC1 728567214 OMKHMSQSSRRCIF-UHFFFAOYSA-N 401.492 0.966 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccnc1N1CCC(O)CC1 733362536 PMJPMYPPFZCJKC-UHFFFAOYSA-N 415.475 0.720 30 20 HCED C[C@@H](CC(=O)Nc1ccn(CC(=O)N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 742611990 FXFGUVGRSDXBRX-LBPRGKRZSA-N 418.479 0.427 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2CN(CC)C(C)=O)CC1 747993505 NJYAKOKVTCNWPT-UHFFFAOYSA-N 412.490 0.982 30 20 HCED O=C(CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccccc1 748197612 FNAPQXHBGODPII-UHFFFAOYSA-N 400.460 0.548 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 749635726 INTPIJPXTOMIFB-UHFFFAOYSA-N 413.438 0.777 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=CC(=O)Nc2cccc(F)c2)CC1 749787481 PBQWCTNDGHIYSV-UHFFFAOYSA-N 421.473 0.826 30 20 HCED CO[C@H](C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 750157306 ULEGOGSRAMQYTB-CQSZACIVSA-N 409.464 0.359 30 20 HCED COCCN(C(=O)CON=C1C(=O)Nc2c(C)cc(C)cc21)[C@@H]1CCS(=O)(=O)C1 754277352 YRHZUWCIQYIVJR-CQSZACIVSA-N 423.491 0.638 30 20 HCED CCN(C(=O)[C@H](C)OC(=O)C#Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 761218879 FOPMVFCKZVAXAC-ZFWWWQNUSA-N 407.444 0.734 30 20 HCED CCOC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 764583331 KIGTVRBBXNKDPZ-ZDUSSCGKSA-N 408.480 0.962 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C1CC1 766053516 UFAJGWFKFDNYLU-UHFFFAOYSA-N 415.387 0.310 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NC[C@H]1CCCO1 767674308 DWYVCOJKYXFFLP-GZBFAFLISA-N 409.464 0.452 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 771762841 BKVZVCGHMWFZKF-HYVNUMGLSA-N 422.551 0.975 30 20 HCED N#CCc1ccccc1CC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 777159354 XCILHJPGHMIDEX-GOSISDBHSA-N 419.503 0.170 30 20 HCED Cc1cc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)ccc1F 780366118 PNKYGCHEURGNQF-HIFRSBDPSA-N 421.450 0.453 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785659056 FKYDNSWFSBWADN-QGZVFWFLSA-N 414.462 0.415 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 787001537 SCUKNAQIQHRZQK-OAHLLOKOSA-N 420.491 0.815 30 20 HCED Cn1nncc1C(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 798817553 ZWHRFCWCMPVFIF-OAHLLOKOSA-N 416.463 0.951 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnn(CC(F)(F)F)n1 799456323 IWFULHGKUMZUOW-UHFFFAOYSA-N 404.330 0.017 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 803937713 SIGWBNSQRODYMX-UHFFFAOYSA-N 414.871 0.870 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC([C@H](O)c3nccn3C)CC2)CC1 804894544 INFUESUZYVCWSL-SFHVURJKSA-N 403.527 0.849 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 804943823 ITQAZJZAPLYYQZ-UHFFFAOYSA-N 401.286 0.549 30 20 HCED C[C@H](C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1ccc2ccccc2c1=O 805881380 VOROIISPGYHRRF-CJNGLKHVSA-N 401.444 0.528 30 20 HCED C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)[C@H]1CCCO1 811185739 SKZVSWQGCUTAFS-WMLDXEAASA-N 424.479 0.990 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCCC#N)CC2)cc1 812614908 ZIFXSCHNPJHKHE-UHFFFAOYSA-N 421.475 0.959 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)[C@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)n1cccn1 815912477 NITYSVUPIWEJJH-YOEHRIQHSA-N 424.461 0.952 30 20 HCED CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 918476807 YILRTQNWHDJXBZ-UHFFFAOYSA-N 406.446 0.942 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)OC[C@H]3CCCO3)CC2)o1 921094453 CVZDTVWBVDZUJX-DZGCQCFKSA-N 406.439 0.631 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1291322675 YZMYDMGCRRWWGG-CKFHNAJUSA-N 413.438 0.194 30 20 HCED CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1298328645 NAGAVHSSCDPRSE-UHFFFAOYSA-N 416.507 0.953 30 20 HCED CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1316315368 IYYXONZITYSSPH-VQIMIIECSA-N 417.491 0.591 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)cc2)c1N 1318379355 QWYWXYYEMFCVDS-UHFFFAOYSA-N 409.450 0.536 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 1321008972 OBRGLOOALMYFPZ-UXLLHSPISA-N 414.462 0.857 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)c1 1322199744 HRXISVMFFDHEOS-UHFFFAOYSA-N 416.455 0.726 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 1323625742 QITGTJJNGHJJKZ-BEFAXECRSA-N 418.475 0.310 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)c2ncn(C)n2)C1=O 1324270084 VIMBAUOPJAKSPZ-ZWNOBZJWSA-N 415.479 0.743 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@H]2CCS(=O)(=O)C2)cc1OC 1342605139 KHJWODOACXOKLP-HUUCEWRRSA-N 408.476 0.896 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)c3ccncn3)cc2)CC1 1344616456 IWLHMUUVKQAZIC-QGZVFWFLSA-N 413.459 0.819 30 20 HCED CCc1noc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1499269359 CFQOGWPMWGXLJM-UONOGXRCSA-N 420.495 0.816 30 20 HCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1544576831 VCINZZIPILRSLL-CQSZACIVSA-N 421.465 0.572 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1557220772 IYJBLYXNXYHFKF-WMZOPIPTSA-N 407.492 0.663 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CO)CC1 1557420367 NOFZPUFXFIDORN-OAHLLOKOSA-N 409.508 0.630 30 20 HCED Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1612222953 SVANERLNZMKECM-GDBMZVCRSA-N 419.511 0.563 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1619547941 ZULYSQKFZYNRLV-UHFFFAOYSA-N 411.466 0.200 30 20 HCED CC(C)CNC1(CO)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1630567474 WPNLGICGFMYQIW-UHFFFAOYSA-N 408.524 0.436 30 20 HCED CN1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)c3cnccc23)CC1 1648847061 LJRYAEYYYMLQDR-UHFFFAOYSA-N 419.445 0.759 30 20 HCED N#CC[C@]1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1666004168 DMDUACYXRUGXJH-IBGZPJMESA-N 422.507 0.409 30 20 HCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1698298844 VQMQBTGJGSRPFW-INIZCTEOSA-N 412.479 0.732 30 20 HCED CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723661871 FFIADJWHWZUUGY-QGZVFWFLSA-N 421.571 0.735 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1728259982 KIVYDXLWMWXKMM-UHFFFAOYSA-N 402.480 0.530 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1741693204 JVHYZSMGIODNEU-OAQYLSRUSA-N 411.510 0.844 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc[nH]c3nccc2-3)C1 1777895817 PKGVSUJQVHYOMJ-IIBYNOLFSA-N 410.430 0.730 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 1778171986 DBNQWSYAPLKLKX-DYESRHJHSA-N 411.414 0.422 30 20 HCED 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839222103 CRXBKDBDSCNRHL-OXFYSEKESA-N 423.466 0.570 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)[S@@](=O)c1ccccc1)CCO2 1839673352 OGGDHGOXXXISLL-USXBHUPPSA-N 404.488 0.272 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839759650 FDKCUKJZDHRUAD-OXQOHEQNSA-N 424.494 0.377 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1)C(F)(F)F 1839894716 MZGLCPXFCUXXKA-BBRMVZONSA-N 417.388 0.414 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047616 BOYLPYJAAZSCPC-MVVOQFOESA-N 408.495 0.601 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840155887 FZUYLJYVPYEUCM-BDJLRTHQSA-N 400.888 0.518 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840163186 NUQXAMULABOPQL-AUUYWEPGSA-N 419.507 0.047 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840167280 HRJGNXRPMHELQF-SIKLNZKXSA-N 414.506 0.731 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840294086 MWNRVRCYDQYLPG-NRFANRHFSA-N 416.478 0.749 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2)C(F)(F)F 1840878866 STVDLTDHZLTYQU-WMLDXEAASA-N 406.401 0.988 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1841054732 JZHBAMXORDSKBJ-SREVYHEPSA-N 424.457 0.693 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)Cc1ccc3ncnn3c1)C2 1842920660 LIIMKPXYXNCIMM-UHFFFAOYSA-N 409.494 0.757 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1844286744 DRHZWGZUNBDTFS-INIZCTEOSA-N 402.407 0.198 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1844286745 DRHZWGZUNBDTFS-MRXNPFEDSA-N 402.407 0.198 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1 1847476663 ZBRODUSMQGLTBZ-XYJFISCASA-N 419.865 0.958 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 18587997 WYAADQPRJYCQSB-KGLIPLIRSA-N 423.491 0.373 30 20 HCED C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 31746551 MSSLDEWITCHTNB-HXUWFJFHSA-N 411.418 0.924 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)ccc1F 108472162 HMPCDAXHCYQOOV-CYBMUJFWSA-N 419.500 0.444 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 409583317 GAKNAPVRMQKTMO-UHFFFAOYSA-N 404.414 0.972 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)CCO1 409588853 YOSNWOGSHWHLFZ-CYBMUJFWSA-N 416.862 0.706 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 410121861 AULBLDVVZQHVAE-CQSZACIVSA-N 413.931 0.914 30 20 HCED CCOC(=O)c1csc([C@@H]2CCCN2S(=O)(=O)N2CCO[C@H](C#N)C2)n1 410402066 OPNLRYFGQSNVIC-YPMHNXCESA-N 400.482 0.926 30 20 HCED N#Cc1ncn(CC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)n1 426407127 TUKYRXMCONYHMC-UHFFFAOYSA-N 414.900 0.788 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 427067646 QWALXNXCNMLZDJ-GFCCVEGCSA-N 411.447 0.968 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2ccccc2S(N)(=O)=O)CC1 432995144 WHDAFHABUQPUBI-QGZVFWFLSA-N 407.540 0.458 30 20 HCED COCCNS(=O)(=O)c1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cc1 438322183 NMPUZBLOMWYFMU-UHFFFAOYSA-N 406.468 1.043 30 20 HCED N#Cc1c[nH]nc1NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 440092777 QIEIXSCJXSCKNG-UHFFFAOYSA-N 409.371 0.923 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 443094229 NMCBGVPJVWUYSA-LBPRGKRZSA-N 405.885 0.183 30 20 HCED C=CCNC(=O)Cc1noc(CCNS(=O)(=O)c2ccc(OC)c(OC)c2)n1 445345141 VICKUJBZSOHZMO-UHFFFAOYSA-N 410.452 0.453 30 20 HCED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448485197 YCRSQWQZFREPQL-UHFFFAOYSA-N 403.508 1.430 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 466824845 JUMBAATVDHVODW-UHFFFAOYSA-N 411.422 0.151 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)cc1 471766755 GOUUPEYYYIEQAB-HNNXBMFYSA-N 409.508 0.860 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)N(CCC(N)=O)Cc3ccccc3)CC2)c1C#N 472160172 PPPSZBAQICSXGD-UHFFFAOYSA-N 423.521 0.626 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)CC1 479773308 IOSZYZKMNBEHEO-UHFFFAOYSA-N 413.522 0.218 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCCCS3(=O)=O)C2=O)cc1 486497203 KRKGRWOKJXRHFU-SJORKVTESA-N 404.492 0.926 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc1 488980847 LUDNHCMOKDLIKM-HNNXBMFYSA-N 414.483 0.581 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)NC3CCCCC3)n2)cc1 492777311 XJQSOKFAGVUNAW-UHFFFAOYSA-N 409.450 0.702 30 20 HCED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)cc1 497937945 JXMZSZUWJIOYSC-LJQANCHMSA-N 422.441 0.983 30 20 HCED C=CCCOCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 499258858 DVXOPXXECZTQAL-JKSUJKDBSA-N 401.463 0.731 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 502293218 SBUYNXIBEKZSRC-GUDVDZBRSA-N 400.479 0.533 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 506532353 FEHLRSFCSNHFLR-UHFFFAOYSA-N 408.455 0.714 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(F)ccc2N2CCOCC2)C1=O 508735384 HUSQJVUCPRZEHI-SFHVURJKSA-N 418.469 0.524 30 20 HCED Cc1c(C#N)cccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 510516068 SZSCYRFLOILBEU-UHFFFAOYSA-N 402.432 0.705 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 515088557 RNGNKQNEKQWLCX-UHFFFAOYSA-N 406.489 0.717 30 20 HCED N#Cc1ccc([C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(N)=O)cc1 523734707 DHYTWPCAKNNXPR-MRXNPFEDSA-N 403.420 0.561 30 20 HCED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 527030366 NSFVDNXCQMWSJS-ZDUSSCGKSA-N 415.446 0.033 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 532498271 SRSVQAKUJSMMIA-GDBMZVCRSA-N 423.491 0.796 30 20 HCED CCN(CCC#N)C(=O)CNc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 532855971 JIFMYULQDHATIA-UHFFFAOYSA-N 423.539 0.948 30 20 HCED C=CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 533387553 IPUDCWDFROVYAO-MRXNPFEDSA-N 424.475 0.873 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3ccccc3=O)CC2)cc1 535335345 GZAHWHQDGSECJX-UHFFFAOYSA-N 415.475 0.436 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCCO2 536199081 PPZFSRFFSPAJPJ-CYBMUJFWSA-N 408.418 0.795 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)C1=O 542755446 KGUMKQBWSWLTHF-INIZCTEOSA-N 405.480 0.802 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 542940609 GZLGWVOXJNDMFC-SECBINFHSA-N 420.472 0.483 30 20 HCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C1 550380755 VCJLLILCIZMJSW-NVXWUHKLSA-N 412.494 0.731 30 20 HCED CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 556549043 QTRBJMBBBRCOMQ-UHFFFAOYSA-N 401.467 0.971 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 560755100 YNQDOWXQMFUVNG-CQSZACIVSA-N 404.452 0.037 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCCn1cc(CO)nn1 564480199 ABGLIIANRNPZGH-UHFFFAOYSA-N 421.417 0.974 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 581831245 MRBJAQLCSBTSQX-UHFFFAOYSA-N 415.537 0.810 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 582389931 KAHOZSBTJRBAEQ-GOSISDBHSA-N 412.471 0.754 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)CC2)nc1 587648242 UXSBLOBAWIRYKR-ZWKOTPCHSA-N 413.478 0.445 30 20 HCED Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 588865034 BYHBLHVBOSFKGR-IAGOWNOFSA-N 421.461 0.662 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588884663 LLBVDQQSFISTFW-HIFRSBDPSA-N 417.466 0.382 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 588949266 NAMHMCXCXZOQGL-MRXNPFEDSA-N 421.860 0.805 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2nnc3n2CCCCC3)c1 602335293 WAACNAFADDAVIP-UHFFFAOYSA-N 402.480 0.513 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCO[C@H]2CCCC[C@H]2C)c1=O 613979349 DEIQCTCAAAPWJA-CVEARBPZSA-N 406.483 0.255 30 20 HCED Cc1ccc(S(=O)(=O)NCC(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 616430832 DDCFAVJYNCBPRJ-UHFFFAOYSA-N 401.510 0.844 30 20 HCED C=CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)O 681558174 NRMOMSUTLQSUSK-NSHDSACASA-N 416.399 0.835 30 20 HCED CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 739122710 QASNXHGHQDLIET-JPDJOPTESA-N 410.496 0.979 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C(=O)NCCCC)C2)c1=O 747803411 QUDMVWXHYXPKAU-MRXNPFEDSA-N 405.499 0.130 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 756889969 AIQBHZQSAYTGBQ-OCCSQVGLSA-N 421.479 0.359 30 20 HCED CC(C)Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(C)n1 757296139 VDAMJVISDSYUAG-CQSZACIVSA-N 410.482 0.956 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 757343104 QXEPFNFOKMTHDR-UHFFFAOYSA-N 404.489 0.590 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 758077821 ZYBZHEXSLZMNDT-UHFFFAOYSA-N 411.458 0.352 30 20 HCED CN1CCN(C(=O)CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758336272 DHBHUSXQLGKKDZ-LSDHHAIUSA-N 408.503 0.209 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2COC3(CCOCC3)O2)C1 758663049 SFBUVQDOUVEDKA-SOUVJXGZSA-N 410.471 0.967 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 760684566 FXRLWZUHXSJRKY-AWEZNQCLSA-N 417.447 0.063 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 760784600 YSQZWJPHYSWGIO-LBPRGKRZSA-N 408.411 0.832 30 20 HCED C#C[C@@H](C)N(C)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 767231893 VAUPWBKSPDWUOH-MRXNPFEDSA-N 423.473 0.535 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O 767627460 NHCAJJVOGVAKLZ-GWCFXTLKSA-N 419.381 0.931 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N(C)CC(F)(F)F 767680099 LAMISAUODZGNFR-SNVBAGLBSA-N 407.370 0.789 30 20 HCED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N[C@H](C#C)[C@H]2CCCO2)c[nH]1)[C@H]1CCCO1 773056287 LRSVQZAVSJEUHT-BURFUSLBSA-N 405.476 0.384 30 20 HCED C=CCOc1cccnc1C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 775113821 RRJFMUWRBRVAAC-UHFFFAOYSA-N 418.494 0.862 30 20 HCED 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C[C@H](NC(=O)c1cnccn1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 1798551080 GFPDXBGXBNKNCX-HNKHHVNMSA-N 421.461 0.747 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1799397999 ZMHOFGGBHFLIIM-BKEDOTJMSA-N 419.482 0.505 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(c2ccc(F)cn2)CC1 1800291293 CHJGPZNDZWPGDX-CWPLJXCYSA-N 400.454 0.660 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)NC(C)=O)c1 1800532474 ZDSUOKMLXWAHNQ-LCXNZCCVSA-N 414.462 0.295 30 20 HCED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(Cl)c1 1800778494 AOIDRWWKZQEHPT-KSPBDQMDSA-N 406.822 0.640 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2)n1cncn1 1801355914 XMUIREXOTXYNEX-XUMLPFHTSA-N 408.462 0.543 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)n[nH]1)C2 1801991112 DILPCTXFPHVZGS-HBCWATKFSA-N 411.418 0.269 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1 1802270870 QVGJJTDHHNNMHV-FZKQIMNGSA-N 412.358 0.990 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1802684562 IHZSOAQLHSJVNF-ZOBUZTSGSA-N 400.483 0.230 30 20 HCED NC(=O)c1nccnc1C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803454513 OKXBNZYRQLXBQQ-UZLBHIALSA-N 418.457 0.704 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807197006 PDGQMTZBOSVSFL-LKCYJCQHSA-N 401.511 0.892 30 20 HCED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@@H]1c1cccnc1 1807360094 ZTKPTSHJMQSUIG-KSSFIOAISA-N 407.434 0.708 30 20 HCED N#CCC(=O)N1CC[C@@H](CNC(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1808405764 NDQMCVPFUBGQBF-LPHOPBHVSA-N 419.507 0.427 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)C1 1809770876 CYZBSUMVAQLIGU-HNNXBMFYSA-N 405.499 0.608 30 20 HCED CCOC(CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)OCC 1813210277 XAYGIQREFINRCB-IIBYNOLFSA-N 417.462 0.965 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](COC)NC(C)=O)[nH]n1 1815199718 UYRSJKOUGRBNNS-XYPHTWIQSA-N 419.482 0.591 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CC)NC(N)=O)[nH]n1 1815200487 XCKOKCHPZLQTDB-IPYPFGDCSA-N 404.471 0.887 30 20 HCED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1815213570 ACJKYHQYLZDPHA-ALKREAHSSA-N 421.498 0.644 30 20 HCED CS(=O)(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1 1817055840 LXMVXYGDOBKSTM-CQSZACIVSA-N 404.452 0.960 30 20 HCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3cc4n(n3)CCNC4=O)[nH]n2)CC1 1817110858 SBQVCESLQSWDNG-CQSZACIVSA-N 422.449 0.959 30 20 HCED O=C(/C=N/N1CCCCC1)Nc1cc([C@@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819393339 RLMIIJNIFZDISP-BBJIBYMTSA-N 414.474 0.560 30 20 HCED N#CCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CS(=O)(=O)N2CCCC2)CC1 1827676662 SFOWGCZFLQXQRI-KRWDZBQOSA-N 410.540 0.945 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1829773658 PSEGQAHHHUKXEV-AQZVRURSSA-N 423.535 0.197 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1830056587 GRVZXGNXXJDYBP-NRFANRHFSA-N 411.462 0.954 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063981 BJEASWMWIUNEOR-KKSFZXQISA-N 416.478 0.855 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831127383 QVYTUXZBLVUBQR-QRWLVFNGSA-N 411.499 0.859 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCN2CCOC2=O)CC1 1831671792 XUUYMMXROSWZSJ-INIZCTEOSA-N 405.451 0.536 30 20 HCED CC(C)(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832311431 VPMSFHWAMMRIOJ-NRFANRHFSA-N 424.542 0.540 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1832454165 DJKVRXULCZZGCN-LJQANCHMSA-N 408.476 0.838 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ccncc1)CCO2 1832705490 BFTWIMVJHRPMMO-IBGZPJMESA-N 404.492 0.934 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CN4CCSCC4)CC3)CC2)CC1 1833062423 SVBLENKAAZONOI-UHFFFAOYSA-N 419.595 0.911 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833828049 QHUBRNXYDVZALV-HXUWFJFHSA-N 420.466 0.235 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834001504 ASKFGAKRMLKFSH-QEVIJRNUSA-N 414.462 0.010 30 20 HCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834603988 BZAUZOHLKPQNQG-UHFFFAOYSA-N 420.583 0.346 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3COc4ccccc4O3)C2)C1 1834755951 OGWHGRYPOSXJCR-KKSFZXQISA-N 415.446 0.587 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C5CC5)on4)C3)C2)CC1 1835339043 CMSBSYGGZXQHPD-HXUWFJFHSA-N 400.435 0.926 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)n1cccc1C=O 1835353909 GBMRNVOTWDBDOU-OXJNMPFZSA-N 402.451 0.622 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)[nH]n3)CCO2)C1 1836279593 HPRAYHVHLRCRHT-DYESRHJHSA-N 420.510 0.615 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457277 MEKKPYSZFKFDFJ-XIKOKIGWSA-N 405.480 0.346 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)C1 1836643991 OVUZCCBKSLXEGZ-AVRDEDQJSA-N 413.474 0.996 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836709923 JYLFQDHQIDOGQC-WMLDXEAASA-N 418.412 0.824 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836977023 KFWDRIKSPYFLPQ-HXUWFJFHSA-N 401.467 0.593 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1837301882 OVLZPQBXGIRPRL-UZLBHIALSA-N 403.483 0.654 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837446688 MNNMBAJPUZUPGB-QOOAHNBZSA-N 421.473 0.696 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2)C1 1837698785 RVGRYAFDNVRWNM-HMFYCAOWSA-N 419.522 0.902 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838513358 MLAJGRFTVKOJQB-GTNSWQLSSA-N 423.520 0.475 30 20 HCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c(O)n1 1838667591 LXYAQPNRIIQDDS-FQEVSTJZSA-N 402.451 0.715 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccccc4O)C3)C2)c1 1838740014 DGDYZPBHMADPTO-JOCHJYFZSA-N 424.457 0.905 30 20 HCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)cnn1C 1838949988 IOSWPODBUNRPHK-JOCHJYFZSA-N 423.473 0.984 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838950147 FLNVMTFHNYGVHD-OAQYLSRUSA-N 409.446 0.676 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1838999982 NBMMOMWJEYUEFM-IBGZPJMESA-N 408.357 0.123 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839556132 GUAGRDHFENKWJU-NRFANRHFSA-N 414.437 0.957 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1ccnn1 1839707112 KDFIBBAPRIOYJN-PGRDOPGGSA-N 423.473 0.347 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316723 LRPIOCRWHFWJIE-MJGOQNOKSA-N 407.854 0.743 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840386135 JUTGAOUFHZIMKP-JOCHJYFZSA-N 414.506 0.842 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cccn1 1840443345 HQKRLPLUYQZJBC-FOIQADDNSA-N 412.450 0.414 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1841608711 KHBFOZMQCFHODB-LBPRGKRZSA-N 408.480 0.246 30 20 HCED CS(=O)(=O)CCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845583055 UHAYPTZZTTUQMB-UHFFFAOYSA-N 415.475 0.686 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1847816549 WIHOCSZMCJMABL-ZSGPHXLJSA-N 403.483 0.250 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CC(N)=O 1847863870 MLZLFRFIXSYJIU-FZKCQIBNSA-N 420.510 0.616 30 20 HCED O=C1Nc2cc3c(cc2/C1=N/NC(=S)NCCCN1CCOCC1)OCCCO3 17416151 KGYDPNDNLNQGLY-UHFFFAOYSA-N 419.507 0.691 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 409521452 VRCUFCICAXQVNR-LBPRGKRZSA-N 404.470 0.684 30 20 HCED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1 410114376 AGVUUHSJYGTTAD-DZGCQCFKSA-N 423.413 0.846 30 20 HCED N#CCCn1ncc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1-c1ccccc1 430651745 MCDZDPMBKXYPIK-UHFFFAOYSA-N 416.507 0.510 30 20 HCED CN(CC(=O)Nc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 437320188 FGUNTGJIBBRTFZ-UHFFFAOYSA-N 417.429 1.234 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CN(c2ccccc2)C1=O 441340914 LMWJRNUAPKAJGZ-MRXNPFEDSA-N 415.413 0.918 30 20 HCED C[C@@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CN1CCOCC1 442015630 WQJHCDWLOTTXPF-QGZVFWFLSA-N 414.384 0.715 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 442273866 VMUIWZFQJFDONP-UHFFFAOYSA-N 402.451 0.295 30 20 HCED CCCc1c(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cnn1-c1cccc(C#N)c1 443678838 DMUPDPCUPLFQCH-CQSZACIVSA-N 409.450 0.904 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1 465371497 MYBRSWGIOSHXJN-KUHUBIRLSA-N 418.475 0.872 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nc2c(s1)COCC2 465416808 LFZAKXASLDFNIY-LLVKDONJSA-N 413.463 0.553 30 20 HCED COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465417552 OQGLHULGBUFVEX-CQSZACIVSA-N 422.445 0.740 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](CO)O1 469980803 HEJDEIOPVOOBJT-CABCVRRESA-N 415.450 0.536 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@@H]2C)cc1 484436915 VAKVBCZTWIGAFK-ZFWWWQNUSA-N 411.480 0.040 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](O)Cc3ccccc3)n2)cc1 491307199 GBJITRDLCBAXAD-GOSISDBHSA-N 404.430 0.856 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CNC3=O)C[C@@]12C(=O)Nc1ccccc12 499273282 YVDYEQVMKWKLLP-VERVWZFWSA-N 415.409 0.741 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 501851439 CHNPBDVOVPDIQA-INIZCTEOSA-N 400.526 0.138 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1 507966515 NISRKNLTYYPMPP-UHFFFAOYSA-N 419.463 0.991 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)n1 510150576 WTSUFODXHDJDJY-NVXWUHKLSA-N 405.524 0.876 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513671106 GFJIPPWYAKNFGX-LRTDBIEQSA-N 422.445 0.881 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2=O)cc1 525895694 UXXRBMPFESVDFU-UHFFFAOYSA-N 422.507 0.512 30 20 HCED COc1ccc(C(=O)NCCN2CCN(CCC(=O)N(C)CCC#N)CC2)cc1 537852253 YKFLASORJGVTMB-UHFFFAOYSA-N 401.511 0.805 30 20 HCED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542064877 ZEQJCTFLAHVCMX-ZDUSSCGKSA-N 400.414 0.658 30 20 HCED C[C@@H](NCCn1cnc(C#N)n1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 552098542 GVGNCAFHMZAFGZ-OAHLLOKOSA-N 405.528 0.731 30 20 HCED CCS(=O)(=O)N1CC(CNS(=O)(=O)c2cccc(Br)c2C#N)C1 553881764 MWKXRSULYHTNIN-UHFFFAOYSA-N 422.326 0.881 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(N)=O 555737115 TZUSNXPZQDEQNK-UHFFFAOYSA-N 416.478 0.262 30 20 HCED CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 555869262 LJRACXRMVYXROE-UHFFFAOYSA-N 420.473 0.620 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 557276515 BNMQFCASGHSVLJ-QUCCMNQESA-N 415.538 0.807 30 20 HCED C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2cnccc2C#N)CC1 562379414 KSOABCQFXFQJHB-KRWDZBQOSA-N 406.494 0.603 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cccc(O)c3)CC2)cc1 565451143 QSILOCMIAGWNIA-UHFFFAOYSA-N 414.487 0.887 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 571953136 RJPDTXFQZFOTOK-SXLOBPIMSA-N 401.507 0.967 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1(N2CCOCC2)CCCC1 577110201 HYIRTJDKRBAEEW-INIZCTEOSA-N 420.535 0.986 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)C1 589422047 ADWIDIAKJZBKQO-KRWDZBQOSA-N 405.524 0.075 30 20 HCED C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 604928205 MOSCSXQDZFHZJD-CQSZACIVSA-N 424.523 0.651 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 610596921 VRGPWDCZQFTFIL-FOIQADDNSA-N 411.466 0.505 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1C 619538264 YNBVHMITIFWGCS-UHFFFAOYSA-N 421.906 0.765 30 20 HCED CCS(=O)(=O)c1ccc(O)c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 619583291 XJVAXEJKZNBHRN-UHFFFAOYSA-N 423.472 0.974 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 729888921 KLSHOAJBPPLULZ-KRWDZBQOSA-N 423.491 0.567 30 20 HCED O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCN/C(O)=C1\N=CC=CC1=O 731887007 GBQYNJJWKQXWDP-RURFIKTLSA-N 423.429 0.023 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC1(N2CCOCC2)CCCCC1 732439807 QLDHRNFZKVYMKO-ZCXUNETKSA-N 405.499 0.847 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)C)c2)c1=O 732797185 NGCXNJHERYKXFP-UHFFFAOYSA-N 417.535 0.753 30 20 HCED C#CCN1CCC(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 742329320 PMICDGOJAGQYIH-UHFFFAOYSA-N 411.462 0.851 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744022949 BWEACOIUWFQMDG-DZGCQCFKSA-N 420.491 0.755 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)[C@H](C#N)C1 749521796 XIYOOTNIUSDTKP-OLZOCXBDSA-N 403.526 0.878 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(c3ccccc3OCCN(C)C)CC2)CC1 750048187 UZPFQSFLQJVJMJ-UHFFFAOYSA-N 413.566 0.526 30 20 HCED C[C@](C#N)(NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O)C1CC1 756453802 AUPAYHSEGDLNQH-RTBURBONSA-N 408.422 0.238 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 756755051 MZJLAWQXJODQKF-GFCCVEGCSA-N 405.436 0.335 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 758054745 NGIDEJPHBOTBIO-UHFFFAOYSA-N 411.439 0.013 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 759053187 YDAYMXKANQQDDE-UHFFFAOYSA-N 407.492 0.874 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 761023544 HYDVGYMIWSBBLC-UHFFFAOYSA-N 415.519 0.138 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CNC2(C(=O)N(CC)CC)CCCCC2)c1=O 763339614 QJUDLKAANHQGBK-UHFFFAOYSA-N 419.526 0.662 30 20 HCED COC(=O)C[C@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCOC1 770701727 SDGODXCNLAEHGO-LJQANCHMSA-N 405.455 0.205 30 20 HCED C#C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)[C@H]1CCCO1 775666840 QKDVXMQJUDOZLK-GDBMZVCRSA-N 413.434 0.482 30 20 HCED C[C@H](CC(=O)N1CCCN(C(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 781115935 GWUXDKZVIIESGT-CQSZACIVSA-N 418.519 0.975 30 20 HCED Nc1ncc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cn1 781574195 BLZXRRMVUOGEOQ-UHFFFAOYSA-N 407.412 0.434 30 20 HCED Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCOC2)c1=O 782784006 QRCZOJAHAAIDDE-SNVBAGLBSA-N 420.292 0.469 30 20 HCED C#CCOCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 784544191 FHFQRHBUKMIVAW-UHFFFAOYSA-N 410.452 0.480 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ncccc2F)C1)c1cc[nH]n1 789988916 GGWDPZJFPGEPIO-GFCCVEGCSA-N 404.402 0.623 30 20 HCED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 798488219 KBGXVDMBXZDKTE-OAHLLOKOSA-N 416.521 0.069 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(c2nccs2)CC1 798646320 MWRGJKZLMIOKBN-UHFFFAOYSA-N 405.505 0.967 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 803862457 IOPPTYHCQWRUFZ-UHFFFAOYSA-N 424.822 0.562 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)cc1 810407824 YSNAMZOVVNGEAA-KRWDZBQOSA-N 406.508 0.596 30 20 HCED CCn1ncn(N=Cc2ccc(OCCn3cc(C(=O)O)nn3)c(Cl)c2)c1=O 814235701 WJBCOGYBKACSGW-UHFFFAOYSA-N 405.802 0.969 30 20 HCED CN(C)CCn1nccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 818938005 QFJGGNVRUQYVPM-UHFFFAOYSA-N 404.496 0.902 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CN1CCCC1 819837633 OVTSQGWUQRRSFQ-RDJZCZTQSA-N 422.551 0.713 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 849060342 UPBWHOQRSZIICR-UHFFFAOYSA-N 402.543 0.071 30 20 HCED C#CCN1CCC(C(=O)N2CCOC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 964285889 ZYOSPFKOOFMFLD-ROMHJBHXSA-N 401.507 0.099 30 20 HCED Cc1c(Br)c(C)n(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(=O)c1C#N 1161251395 WKTXJUDDPKUNNQ-UHFFFAOYSA-N 418.211 0.254 30 20 HCED COC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1194484863 UQGDZEPUFNIAFU-UHFFFAOYSA-N 402.270 0.800 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(OC)CCOC2)CCOC1 1296663627 JJTFZUMWZZHRSI-ZYSHUDEJSA-N 407.471 0.464 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NC[C@@]3(O)CCS(=O)(=O)C3)CC2=O)cc1Cl 1297993968 OOCKHLQZQSQVPX-PXAZEXFGSA-N 411.867 0.230 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1305793242 XOVHTLYYDIZGRN-NVXWUHKLSA-N 419.530 0.646 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cc(S(C)(=O)=O)ccn1 1311076530 NNZJIQLLJXWUOR-GFCCVEGCSA-N 401.452 0.889 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)C3CC3)CC2)c2ccc([N+](=O)[O-])cc2c1=O 1318309804 BQEDEWXLWJDEDL-UHFFFAOYSA-N 409.402 0.862 30 20 HCED CN1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)C1 1517411706 WGFGISBNWFYHJP-HXUWFJFHSA-N 401.515 0.597 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)n3C)CC2)c1 1523490384 AAPDNDHXQJZIOT-UHFFFAOYSA-N 422.488 0.892 30 20 HCED N#Cc1cn(CCNC(=O)N[C@H](CN2CCOCC2)c2ccccc2)c(=O)nc1O 1563656862 XAISIVAHIQWOQX-QGZVFWFLSA-N 412.450 0.193 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N[C@@H]2CCOC2)C1 1645423047 MECAVJKTEWZGBF-PBHICJAKSA-N 420.535 0.873 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1Br 1662177678 LDEYTSXYPHZUOL-GZMMTYOYSA-N 406.233 0.771 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740801307 VTXRYFIURKLUTF-CQSZACIVSA-N 423.949 0.958 30 20 HCED CNC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1769321849 WMBSLCVBZJAZNZ-MRXNPFEDSA-N 400.439 0.827 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)(F)F)CCO1 1771537670 SLQIQJZYICWKIU-CYBMUJFWSA-N 409.372 0.671 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1778980408 UNAXNKAPSIWGTB-NJNPRVFISA-N 422.570 0.025 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1778980531 XCIOFMXPDCYJTN-MGPUTAFESA-N 406.483 0.445 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1779100563 XLQUATCAVITYRS-SYPCGMHJSA-N 419.482 0.701 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1779101265 MBVHEQNRHGYDPK-CFFCXZSUSA-N 419.482 0.701 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779607742 FTSSVZGOPKJJML-OPAMFIHVSA-N 423.473 0.954 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C2 1780735110 HVROTMBEVLURLU-WHSLLNHNSA-N 423.510 0.521 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1781264748 BSSUOGPHCLKIFH-HXUWFJFHSA-N 418.450 0.438 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1781390461 IUKGEGYTPPPTSL-LIRRHRJNSA-N 406.439 0.330 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781755319 JAMAZBNXRRJKDL-QVKFZJNVSA-N 401.463 0.820 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782449522 CJTOZRAZKUNMFP-CSODHUTKSA-N 419.526 0.755 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCC(=O)NCc3ccc(OC)cc3)C2)C1 1782782977 CQWIDSCURXHDSK-JOCHJYFZSA-N 413.474 0.555 30 20 HCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc4c3NC(=O)C4=O)CCO2)C1 1783892394 HTLQSEDUWRWGCU-WYRIXSBYSA-N 403.460 0.583 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1786705162 KIGJFAYSSZQMDR-AVGNSLFASA-N 410.521 0.130 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)nn3-c3cccc(=O)n3C)[C@H]2C1 1787154165 YCJZZGGCGQRQHA-BQFCYCMXSA-N 423.473 0.106 30 20 HCED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1787404867 CZFQLZJMHAGUEE-YTFOTSKYSA-N 400.545 0.367 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787435844 WUXSZVJXEWFVLT-OSFYFWSMSA-N 406.439 0.072 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4[nH]ccc4s3)[C@H]2C1 1788085520 ZBZZZMNAUSRCTB-OBJOEFQTSA-N 401.444 0.911 30 20 HCED CC(C)(C)OC(=O)N1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)C1 1788115284 ZPNWZJPRDOWPSU-BPUTZDHNSA-N 406.483 0.747 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 1788658786 XMXJQCNXMHJTAV-UEQWQKHTSA-N 423.510 0.922 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1789890361 PJXQJTXRPJRHBU-BZSNNMDCSA-N 416.478 0.508 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)C[C@@H]21 1790793440 HSPRIUDSHFJJHM-BSQBWSPESA-N 417.506 0.999 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)NC(=O)OCC)C[C@@H]21)C(F)(F)F 1790884416 RFNRSRAHISMZSK-ZJQBRPOHSA-N 423.388 0.149 30 20 HCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1791270589 HLZJUWGBDHMGDN-FYQPLNBISA-N 404.555 0.406 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCC3)[C@H]2C1 1792313213 WXXXXQLYOQHOEN-FHWLQOOXSA-N 421.538 0.961 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccn13)C2 1792489304 PKCILDTYVHTHHA-IBRLJDPESA-N 423.473 0.396 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1793370079 YJFKEGKGTNUNJU-NKGKWGDASA-N 419.503 0.442 30 20 HCED Cc1nn2cc(CC(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H](C)S)C4)nc2s1 1793665891 YVJCAKHZMKXRKH-ADGXKJENSA-N 409.537 0.550 30 20 HCED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1795354169 XTUAEPZRDZLBFR-QKBRYTTJSA-N 422.503 0.740 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCOCC1)C2 1797811296 KIIQLNSAEKSPER-XDWMUTNVSA-N 423.510 0.922 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1798385622 NLNZAFJRCWVITD-XLXDHNHBSA-N 423.514 0.861 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1 1799798132 BRZNVMOBGRTPNO-XUMLPFHTSA-N 412.490 0.985 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O)C(F)(F)F 1800893040 IGBPWZUBGIRKEY-YWVIFJGQSA-N 403.401 0.707 30 20 HCED CN1N=C(C(=O)NC[C@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)CCC1=O 1804117563 BQUSCNSXZRUYPS-CRAIPNDOSA-N 408.462 0.999 30 20 HCED NC(=O)c1nccnc1C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1811183689 WNHDTRDPJKBYCA-UZLBHIALSA-N 418.457 0.704 30 20 HCED CCNC(=S)NCC(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1812329787 YPHRZLPDIOEITB-XLIONFOSSA-N 413.547 0.985 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1 1812879015 OGADMHZEVYISCK-HRAATJIYSA-N 408.414 0.037 30 20 HCED N=C(N)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452893 WBFMTONSBNTKSV-ZABDOKJLSA-N 420.474 0.414 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)COc2ccc(O)nn2)n[nH]1 1821670505 ZYVWTYQWZVGXLV-LBPRGKRZSA-N 414.378 0.064 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C=CCN2)CC1 1827549612 GROWQLHFKHETSC-VXOKQSJXSA-N 400.523 0.993 30 20 HCED NC(=O)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828978534 ACVFBLNNTPKGAY-FNPOSJQDSA-N 423.514 0.803 30 20 HCED COc1cc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)nn1C 1829846413 BWIAEKVWUGYPDI-MRXNPFEDSA-N 402.451 0.750 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2 1829865025 HXDBDNQALFGHKV-RXVVDRJESA-N 407.511 0.551 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830906891 IHWQOULTCRRZMC-MEDHRJKHSA-N 418.406 0.961 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)nn1C 1830946340 XKKMVSQXBZPLKA-ICSRJNTNSA-N 424.567 0.682 30 20 HCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(C)(C)C 1831087424 PTLYLVAYXTYNDO-IERDGZPVSA-N 420.510 0.297 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nn1C 1831208616 OIPRMRDTDJLOFD-OAQYLSRUSA-N 400.479 0.141 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nn1C 1831216675 YKJOMXDJCCANJM-NRFANRHFSA-N 400.479 0.466 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1831391263 LRWHPADOWBGAKO-VGOFRKELSA-N 414.458 0.364 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1831407440 ZWMDUNXISCPQHG-FQEVSTJZSA-N 422.482 0.360 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)(C)C)CCO2)C1 1832314471 RAACRVKUKRURDV-IIBYNOLFSA-N 412.527 0.831 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427343 ZWYIPBCYRAIHFA-INIZCTEOSA-N 402.539 0.838 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833649534 RIMOWUGHUSCYCC-LIRRHRJNSA-N 408.524 0.536 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3)CCO2)C1 1834007592 QGVARNACACFBNS-UZLBHIALSA-N 404.467 0.953 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(=O)oc2)CCO3)cc1 1834596382 HRSNGFRNXQWLCL-JOCHJYFZSA-N 423.425 0.895 30 20 HCED C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834661170 MIKLZWPANNSNBY-GOSISDBHSA-N 418.582 0.851 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1834766920 DVEBIJUVDOFBPB-IBGZPJMESA-N 401.398 0.457 30 20 HCED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834978164 IWVYKMJHIDBSDR-JOCHJYFZSA-N 415.490 0.984 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342747 OJAFJTVNCSGEHI-HRAATJIYSA-N 413.478 0.642 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835616938 LPBWGDGCVBXBIL-UZLBHIALSA-N 412.531 0.632 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3cnccc13)CCO2 1837036091 NYFLNWVVHKPTDJ-QFIPXVFZSA-N 423.425 0.393 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1837392346 DGUPOWNWEJKYJW-KDOFPFPSSA-N 410.496 0.181 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1837403718 PQBRKQXRYWQYJD-HRAATJIYSA-N 410.511 0.443 30 20 HCED Cc1noc(N)c1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837860284 HGXPIYOAHMJNBR-UHFFFAOYSA-N 404.423 0.265 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837883725 PHFJYNPXXOIFFC-GOSISDBHSA-N 406.527 0.381 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037390 JSKMLSXGIKVNRY-BTYIYWSLSA-N 417.437 0.034 30 20 HCED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450928 OQFKSDNEXDOPQC-OAQYLSRUSA-N 417.462 0.556 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773454 SFYKQARIHXMNDH-IBGZPJMESA-N 407.467 0.290 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1839808774 ADRRJPHQFLPFJY-QGZVFWFLSA-N 408.252 0.547 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1839843314 XSDIALUDGFFNAK-FTRWYGJKSA-N 410.515 0.363 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840159037 VQDZDNPGVPRVHB-KUHUBIRLSA-N 411.499 0.928 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1840160498 IZMIBOREKONQJL-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1840168299 GCIIGFOBUMMTCC-ZVVDCOBXSA-N 403.523 0.587 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c1 1840325564 FWBYOSRPACUDIV-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCOCC)CCO2)C1 1840524167 SCINBAMWKPQUOE-HXUWFJFHSA-N 412.483 0.379 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840855869 WKVQTNWXFTVVEN-DJPFJPOOSA-N 409.527 0.960 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1841627172 QLVZCHOBDDTKMN-OLZOCXBDSA-N 401.529 0.987 30 20 HCED CN(C)C(=O)NCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845580654 DZJUDFXELAIOMQ-UHFFFAOYSA-N 409.450 0.523 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845772338 FDRMBKIPJRXTGG-SVYXSEEQSA-N 419.438 0.293 30 20 HCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196357 OPTVZZGNAPHUSZ-ZDUSSCGKSA-N 401.394 0.235 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=N)N 1847940384 UYMXVMCNZQMNPB-IHRRRGAJSA-N 408.503 0.141 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1ccc(C#N)cc1 18393501 FXTBNMBPWLEHNN-UHFFFAOYSA-N 417.443 0.957 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 23830102 KBBIGSPZWFIILO-UHFFFAOYSA-N 408.480 0.207 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@H](C(N)=O)C1 50848044 BWOPDPRPPMLQDO-CYBMUJFWSA-N 412.240 0.811 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)CC1 53309542 XCLAKFAKIBEJDH-FQEVSTJZSA-N 416.522 0.896 30 20 HCED CC1(C)C(=O)NCCN1CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 111054630 OFNDFKDTPVVAAN-UHFFFAOYSA-N 407.496 0.306 30 20 HCED CN1C(=O)C(/C(N)=N/OCC(=O)NCCOc2ccccc2)=C(N)C12CCCC2 148757471 CWSAUPQLNKKQMG-UHFFFAOYSA-N 401.467 0.468 30 20 HCED CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 409587344 OVNTUNJUSVXSET-UHFFFAOYSA-N 424.523 0.950 30 20 HCED CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)n1 427270810 YEUGIQYGQJPQBY-ZDUSSCGKSA-N 406.468 0.940 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@](=O)CC[C@H]1C 433528005 KJOLPEMZTGGIRK-QYSRSOONSA-N 400.464 0.755 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 433660798 RHKISCJASOFFHY-HNNXBMFYSA-N 400.435 0.267 30 20 HCED COCCN(Cc1ccccn1)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 437295867 QPSVYYJBQMFQEI-UHFFFAOYSA-N 419.445 1.456 30 20 HCED Cc1ccc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc1S(=O)(=O)NCC#N 439603070 UTIALYRZYSFRLQ-UHFFFAOYSA-N 419.507 0.817 30 20 HCED Cn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccc(C#N)o2)c1=O 440374509 LRGWYTGUZVUTIV-UHFFFAOYSA-N 422.388 0.968 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NC[C@@H]1CCS(=O)(=O)C1 443067660 FRLGWKNRMQYDMA-MNOVXSKESA-N 419.912 0.429 30 20 HCED N#Cc1ccc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1O 443274708 OHRYEWCSGGOMGI-UHFFFAOYSA-N 400.479 0.955 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 447766096 MSCYIRRKHPPGAI-MRXNPFEDSA-N 401.510 0.543 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447781641 CHJWJCUKCYJDIG-AWEZNQCLSA-N 406.467 0.741 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]2CCCO2)cc1 448389412 MFHMERJNSXZCBX-CVEARBPZSA-N 411.480 0.088 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 448477970 KFZUMEYUGMVFEO-UHFFFAOYSA-N 407.356 0.999 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)Nc3cnn(-c4ncccc4C#N)c3)[nH]c21 461745156 JKHCUSSFZYWJIM-UHFFFAOYSA-N 405.378 0.386 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CCO)C1CCOCC1 461772759 CAAMAURBNJSCHW-INIZCTEOSA-N 405.451 0.816 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 465232979 DRWORUOFPKGKDB-ZDUSSCGKSA-N 409.454 0.566 30 20 HCED CCOC[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471056472 OXCCXWXQIIXMJC-INIZCTEOSA-N 402.451 0.722 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCC[C@H](C)C2)CC1 477266630 FNVZQMFWJYJGQB-UWJYYQICSA-N 407.559 0.060 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)cc1 479744104 KQASCQJNOUXXED-KRWDZBQOSA-N 412.450 0.488 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 479773099 VWGYPJIITKAVKW-LLVKDONJSA-N 408.461 0.511 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 485830842 SWJXFWIZCDRKDQ-AWEZNQCLSA-N 424.417 0.785 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486479030 BPFMFDDXNWEMPN-FXAWDEMLSA-N 412.538 0.984 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 488986402 RWXIOLVNUZCREE-LBPRGKRZSA-N 412.496 0.803 30 20 HCED C=CCN(CCc1ccco1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 491297854 VQHLAAXSPUTKBC-UHFFFAOYSA-N 404.511 0.313 30 20 HCED CN(CC(=O)N1CCNC(=O)[C@@H]1c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 500151180 GXQNILQABVMUNO-IBGZPJMESA-N 412.471 0.878 30 20 HCED C=CCNc1nnc(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 504998606 MHPDPQSHEKVXBM-GFCCVEGCSA-N 417.582 0.559 30 20 HCED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCC(F)(C#N)CC2)c1 506545421 AUANYYUPDXHDRM-UHFFFAOYSA-N 400.407 0.869 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 508412351 JXUKMHZYSRGKEG-CYBMUJFWSA-N 408.484 0.347 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 515548012 BLIRSGJBTALWED-FGTMMUONSA-N 414.572 0.547 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 521005874 CLTMNCKSDDRGHK-IBGZPJMESA-N 413.522 0.798 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 537069490 UBDJUORHBZKTKW-OAHLLOKOSA-N 404.467 0.197 30 20 HCED COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 547714577 USHJDIUFIHAPBP-UHFFFAOYSA-N 421.435 0.714 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 553562978 BEUMAAIQUCBLHW-BLLLJJGKSA-N 403.526 0.977 30 20 HCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1C 555736337 UOGSLNMSZKMKIC-UHFFFAOYSA-N 410.499 0.102 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(O)cc2)CC1 555809821 WMJHRDFFAXPHTM-INIZCTEOSA-N 402.495 0.276 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)cc1 559029023 FRTCTZBMBBZKHV-UHFFFAOYSA-N 403.435 0.981 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CC2)c1=O 559152907 SEBVISVIGBVCPV-UHFFFAOYSA-N 413.503 0.259 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 559956880 OHRARQYIPBUIEC-WDUKFBBWSA-N 408.462 1.443 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1nnc2n1CCCC2 560262432 OFJVCBSQEKYMLO-UHFFFAOYSA-N 409.494 0.693 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC(=O)NCc2cccs2)c1=O 562474522 YLOSWZQHLCTGNF-UHFFFAOYSA-N 415.475 0.640 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 565356000 QTBMBXOFOCYUSQ-HNNXBMFYSA-N 421.461 0.842 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCc3c(nnn3-c3ccccc3)C2)n1 580967215 CAOWFITUSKEOPR-UHFFFAOYSA-N 404.434 1.440 30 20 HCED Cc1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)c(-n2cc(Cl)cn2)n1 588124142 XLBDWKFTUACNHN-UHFFFAOYSA-N 415.885 0.950 30 20 HCED C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 588700880 ZIGCXQOBWRUUGK-FZMZJTMJSA-N 422.367 1.315 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 609940130 PJQIVTKGZHPJGH-UHFFFAOYSA-N 416.463 0.072 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1Cc1ccon1 610929269 PEDDCKQWHQXKTL-UHFFFAOYSA-N 406.876 0.910 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 674453684 VWYWZCLYUWSNPP-LIRRHRJNSA-N 420.491 0.601 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)n(C)c1=O 728346021 ASZDGIFERSPRMB-INIZCTEOSA-N 422.445 0.518 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3cccc(C)c3)CC2)CC1 728570990 RQQIFGMLWCEKMB-UHFFFAOYSA-N 411.550 0.006 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 732011413 OFRRZTFSIVAUGD-GFCCVEGCSA-N 408.480 0.851 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2noc(CCC(=O)OC)n2)c1 733425321 HZNKSVATAAWISA-UHFFFAOYSA-N 407.404 0.444 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C(=O)C1 741374060 NZFKQHURHGMNNU-IBGZPJMESA-N 408.455 0.417 30 20 HCED N#CCOc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 741790935 MCBMDCJKLYSMKG-QGZVFWFLSA-N 406.508 0.010 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H]1CCOC1 743939707 GKJZJOLBZOFLIK-QMYXSJSUSA-N 422.507 0.979 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)CCO)cc1 743995509 GUHIATAQFLCESI-CJLVFECKSA-N 424.523 0.963 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 744902316 VDPVOWUZRSPITM-NWDGAFQWSA-N 415.493 0.845 30 20 HCED N#CCCN(C(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 745478613 LPMHSJCRAKATNB-RGCFKVTRSA-N 411.414 0.639 30 20 HCED C#CCN1CCN(C(=O)CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 746500994 HUWQEOQKWHMXLU-GOSISDBHSA-N 422.526 0.346 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)CC1 747992148 VAYAUIRXDUWTKW-UHFFFAOYSA-N 414.462 0.080 30 20 HCED CC(C)COC(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 749240117 BUMCLZGCMXHEPX-UHFFFAOYSA-N 408.480 0.662 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(O)CCC3(CC2)OCCO3)c1 760602833 ACKQQWHGRHQYES-UHFFFAOYSA-N 410.492 0.929 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 761034645 AWQPDHVOEVSJFF-LBPRGKRZSA-N 412.443 0.454 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(F)c(Cl)c2Cl)c(=O)n(C)c1=O 761827521 FYLQUFKHFIGODD-UHFFFAOYSA-N 409.226 0.842 30 20 HCED CCC[C@@](C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 770210344 VITYENFRIHBCRB-LJQANCHMSA-N 423.491 0.485 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cc(S(=O)(=O)NC)ccc1C)c1cc[nH]n1 772123987 NSCBVISAPLWTDJ-UHFFFAOYSA-N 423.451 0.549 30 20 HCED C#C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CCCO1 773551154 ZIHMTACIAOBQER-HOTGVXAUSA-N 401.492 0.764 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC(C)(C)N2CCCCC2)n1 774889465 DIKLKZVAUZJDFH-UHFFFAOYSA-N 403.527 0.872 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(C(=O)O)CC1 776643446 MKPQZZVTRZRHCM-UHFFFAOYSA-N 423.491 0.724 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCN2CCNC(=O)C2)C1=O 781104253 PSFVTIDICQINCM-HNNXBMFYSA-N 421.498 0.634 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786357234 BRAGLATUVDPGPH-FIXIBIHLSA-N 403.416 0.654 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)nc1 787428938 ACIJOWWPLNXPID-UHFFFAOYSA-N 407.478 0.657 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)OCc2cc(Br)cc(C#N)c2)CC1 790860524 CIBONEYWTADHHN-UHFFFAOYSA-N 416.297 0.941 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCc2cnccn2)CC1 793490053 HKWQSKSVFPDEGA-UHFFFAOYSA-N 415.457 0.904 30 20 HCED CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3cnccc3C#N)CC2)C1=O 793678886 QKPPRDVJCGHXIS-HXUWFJFHSA-N 408.466 0.624 30 20 HCED Cc1nnc(S)n(N=C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)c1=O 794473144 ZPZODIGGIOZLPK-LBPRGKRZSA-N 410.500 0.833 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)[C@@H]1CCCO1 806985675 CWEYWPGOYGDAOC-ZBFHGGJFSA-N 424.475 0.351 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1 808450604 PXJHHFHHMBISMY-NZSAHSFTSA-N 403.504 0.975 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CO)CCCC2)c1 810418516 RNWPADUSTMPPJA-CJLVFECKSA-N 422.507 0.859 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)NCCOC)c1 913343443 JBIUJDDVVVXZTM-LBPRGKRZSA-N 413.452 0.168 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2CCOCC2)cc1 916714660 HJSWSBCRXMZRTI-FXBPSFAMSA-N 409.512 0.953 30 20 HCED CC(C)[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 917420786 MPSFHVCNSLVPPY-LJQANCHMSA-N 419.507 0.789 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)nc1 920787339 QPHWOMXVORWRIH-UHFFFAOYSA-N 420.429 0.769 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CS(=O)(=O)C3)CC2)cc1 1116193057 JITCEDWIPCFKES-HNNXBMFYSA-N 409.489 0.340 30 20 HCED COCCN(C[C@H](O)C(F)(F)F)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1164040222 SREJZLZFRNLJSF-ZDUSSCGKSA-N 423.413 0.513 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)cc1 1302995009 UKQZCRZKPVPCQA-ZWKOTPCHSA-N 410.434 0.873 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CN(C)C 1303868288 VMKLPPWKNXJMEV-KGLIPLIRSA-N 413.548 0.205 30 20 HCED N#C[C@@H]1CC[C@@H](N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1 1307566458 ZZODOZOEEIFXOD-IAGOWNOFSA-N 405.524 0.917 30 20 HCED CC(C)(CC#N)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1309568888 MDDCYFIIDQCQSA-UHFFFAOYSA-N 401.510 0.926 30 20 HCED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1nnnn1C 1346274812 RJBUIJFRLDYBKV-CJJSWDBDSA-N 406.472 0.906 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CC1CCN(S(C)(=O)=O)CC1 1435470094 IOUOWXRTLJKPOE-UHFFFAOYSA-N 411.484 0.974 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1470360601 IYXHMJCQYZJRPI-ORAYPTAESA-N 403.439 0.584 30 20 HCED CN1CC[C@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1 1503679764 LOIXLSLFTRUVRO-DYESRHJHSA-N 409.494 0.804 30 20 HCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CCO1 1508375513 KUYCJYXGNKCSLX-LJQANCHMSA-N 420.477 0.940 30 20 HCED CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1509296469 JEFIKYPMNZTJKP-UHFFFAOYSA-N 400.491 0.852 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CCC1 1555557570 VDTPSTPBZXLEGP-SUMNFNSASA-N 408.528 0.897 30 20 HCED Cc1noc(CCCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)n1 1612642709 RESWIIDNBXVAHX-UHFFFAOYSA-N 422.449 0.989 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cn(C)nn1 1629482621 RAZSOOZMJQXYOY-OAHLLOKOSA-N 404.496 0.927 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)CCO1 1663847763 JBUSKQVYLUOFLC-HZPDHXFCSA-N 400.501 0.933 30 20 HCED Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)n1 1696883880 OMQDQAIJVOJSDF-UHFFFAOYSA-N 405.466 0.904 30 20 HCED CN1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1(C)C 1696884691 XPJPIPSFGNPBGW-QGZVFWFLSA-N 414.558 0.995 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1722544577 ZMQKZTYOJYIGQG-GFCCVEGCSA-N 416.935 0.747 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CCCS1 1723956120 QPVQYAMKFLKFRX-HEHGZKQESA-N 414.557 0.903 30 20 HCED N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CCO1 1731186608 FGVINEJNOGYAKA-LPHOPBHVSA-N 403.414 0.876 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1ccnn1 1741931377 NKYJQZXWCKTGLA-RHSMWYFYSA-N 421.531 0.700 30 20 HCED N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(CO)nn2)CC1 1750388726 KNTDIXWJGQDIPX-MRXNPFEDSA-N 413.486 0.533 30 20 HCED CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750535784 XOUBDMNSVDUVBX-UKRRQHHQSA-N 408.528 0.128 30 20 HCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1766246873 RCGJSECWYPNIGA-INIZCTEOSA-N 416.507 0.966 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1779107843 WZKVBWSFVJIAIJ-FLLPAOQRSA-N 405.455 0.311 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779137172 ZWYXPJZSSKVCDJ-FFCJBUTOSA-N 422.445 0.885 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1779137204 SIWSKIIZWUFJIN-NXFFSXPPSA-N 416.394 0.474 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2nccn2)CCO3)ccc1F 1781299205 IEBZZJCSUSVJMO-HXUWFJFHSA-N 412.425 0.361 30 20 HCED 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C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1839886999 TZSAEPYSQNSRRT-KSSFIOAISA-N 417.453 0.569 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1839983266 ZMTADCQYLIDCPH-FQEVSTJZSA-N 422.384 0.052 30 20 HCED Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041649 ZNBNKZKHJIMJLP-NRFANRHFSA-N 400.431 0.082 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1840161539 STHAFVWTFOEKPM-RNODOKPDSA-N 419.503 0.570 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840167067 UMUQENOUXXAOSA-OAQYLSRUSA-N 418.494 0.995 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561665 WBIYQOGOLZCQSE-XXVAPRDTSA-N 423.466 0.276 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840880415 NKGNGUBLKGVIEG-ZFDYTMOGSA-N 417.418 0.187 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1841428965 BMTORJXHUJNZAL-HOTGVXAUSA-N 423.510 0.504 30 20 HCED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841895110 ZBWPIUCVEJSBAR-UHFFFAOYSA-N 405.467 0.132 30 20 HCED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999787 GXKQHLHWBCLXCH-UFWORHAWSA-N 400.395 0.707 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1842920008 ABXOHXJKOVBPSL-UHFFFAOYSA-N 400.439 0.274 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)c(Cl)c1 1845487814 OKTFPOWSTBMPNM-HNNXBMFYSA-N 403.870 0.621 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1846366233 BXZUGBUEHCUAQG-QWHCGFSZSA-N 401.529 0.784 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)C#N)C1 1847346327 IBTFGHIHSUFZBL-UGUYLWEFSA-N 420.510 0.966 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 1848131793 ROPWXARHIZZYPW-VJANTYMQSA-N 422.485 0.984 30 20 HCED CCN1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 29194050 KDOREGKIPUUKEN-UHFFFAOYSA-N 419.551 0.465 30 20 HCED C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2C#N)CC1 29858537 JACQLJNQEHAKHX-LSDHHAIUSA-N 408.499 0.853 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 52623388 FXNBLDLPRLULMF-UHFFFAOYSA-N 416.459 0.505 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCc3ccc(S(N)(=O)=O)cc3)NC[C@H]2C1 304991354 DFJSRYIWUSMOSY-HNNXBMFYSA-N 423.539 0.757 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CCO1 409507798 BDDPWHAHERPRRW-KRWDZBQOSA-N 401.492 0.953 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1=O 410113653 UOENUELENSZUMT-CQSZACIVSA-N 413.521 0.628 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(CC)C[C@@H](C)C#N)C1 410139654 CXTJYHUWPLYZFV-GJZGRUSLSA-N 402.517 0.446 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 426808940 BKWCLIYFDIFUHF-QWHCGFSZSA-N 414.447 0.113 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncccc1S(C)(=O)=O 428027033 IWQHLSIDNMOGGD-GFCCVEGCSA-N 422.488 0.340 30 20 HCED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1OC 435200666 JJMMRRDAIKWOSM-UHFFFAOYSA-N 413.499 0.898 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CN(c4ccccc4)C3=O)n2)cc1 441364223 LYYNYNOJJMDWLW-QGZVFWFLSA-N 415.413 0.668 30 20 HCED CC(C)(O)CN1CCc2c(cccc2NC(=O)C(=O)N=c2ccn(CCC#N)[nH]2)C1 441729314 NMSUIIHULXKXHB-UHFFFAOYSA-N 410.478 0.925 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc(NS(C)(=O)=O)c2)n1 446798389 AHIMMKRXDDDZAA-UHFFFAOYSA-N 404.452 1.458 30 20 HCED Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(C)c1=O 447267341 OGMRKKQPGDIODR-VIFPVBQESA-N 423.292 0.051 30 20 HCED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)C[C@@H](C)O2 448429191 AQYXDRKAPRGVFK-LAPQFRIASA-N 410.434 0.872 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](CN(C)CC2CC2)C1 460711103 WDBQSFMLZCXBMN-GOSISDBHSA-N 421.505 1.576 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)o[nH]1 462268819 MRELJCOKLCRYHX-UHFFFAOYSA-N 408.415 0.401 30 20 HCED CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 467531425 LDKNGRBGVARCAQ-UHFFFAOYSA-N 404.448 0.967 30 20 HCED CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481252477 FNDDLYKIJJNZTR-XJKSGUPXSA-N 424.548 0.995 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H](S(=O)(=O)N4CCCC4)C3)cc2)c1N 489190168 MGDXUMXOQQZHNL-KRWDZBQOSA-N 414.491 0.966 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 489273284 YLNFZTJVZZMRMJ-HROONELDSA-N 418.453 0.582 30 20 HCED CCOC(=O)c1cnn2c(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)ccnc12 490369633 QZLQVENRQWOYAC-CYBMUJFWSA-N 420.433 0.919 30 20 HCED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CCCS(N)(=O)=O 507388283 WBNVALXRHCCBSP-UHFFFAOYSA-N 400.482 0.592 30 20 HCED Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)cc1 511920263 PXAOJUHFBPFPLH-HNNXBMFYSA-N 407.496 0.335 30 20 HCED C[C@H]1CSC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512209420 AXXOIHNCUWHRMS-GOEBONIOSA-N 408.549 0.732 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1S(=O)(=O)NCC#N 521751099 NMNFVORJHNGTLE-UHFFFAOYSA-N 416.459 0.988 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)n(C)c2n(C)c1=O 523437740 LWYCVKIFQATKIM-UHFFFAOYSA-N 406.446 0.410 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 534481232 YBIHWCLNMAIVFE-KRWDZBQOSA-N 424.523 0.472 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 539024584 BLFDJWCROOWPHM-LBPRGKRZSA-N 405.480 0.846 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 540094575 PDEZRHZWWBZUTL-UHFFFAOYSA-N 422.449 0.757 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)C(=O)NCCc2nc(N)no2)[nH]1 543931244 ZCXUMZYSNKLLRC-UHFFFAOYSA-N 400.786 0.082 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C)c1=O)OCO2 546075758 ZNTZMALQNLURJU-UHFFFAOYSA-N 401.444 0.212 30 20 HCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 550466346 KPQVKKLAJZBWHR-UHFFFAOYSA-N 412.515 0.287 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N2CCc3ccccc32)CC1 552828038 DGDLEYKOHMHKLX-KRWDZBQOSA-N 413.522 0.000 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)ccc1Br 556009077 PJPVSDZDRHNRKC-LLVKDONJSA-N 400.254 0.953 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 558041420 OPXIGPSJKYLXHY-GDBMZVCRSA-N 401.442 0.519 30 20 HCED N#CCNC(=O)CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 558230577 CLJUZPDDMHJYLH-UHFFFAOYSA-N 415.859 0.122 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 558495804 ANMPXFGYVSNKHS-HOCLYGCPSA-N 401.398 1.132 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)cs1 564223681 VBOOUEQIIKJDAF-UHFFFAOYSA-N 402.479 0.611 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)n1 565334236 JFXNWXUDSJRSBD-CQSZACIVSA-N 422.426 0.722 30 20 HCED COCC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 571322513 DNZXPGNGKVNIFB-IBGZPJMESA-N 422.507 0.588 30 20 HCED COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1 573356894 XRKJAPCOVZSJKH-UHFFFAOYSA-N 415.515 0.637 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[S@@]1=O 579029072 LOFXXFSOATXCPW-YQBQAZDWSA-N 403.439 1.189 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)cc1 590415256 RMYKHABLROZXGO-GOSISDBHSA-N 405.524 0.508 30 20 HCED N#Cc1ccc([C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(N)=O)cc1 609676644 ZGYNPYFCWSOIGR-MRXNPFEDSA-N 403.420 0.561 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 610391811 SPDLVGZSRGQABK-UHFFFAOYSA-N 412.487 0.521 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cn1 613094296 LUITXKBJEVXURZ-SFHVURJKSA-N 423.477 0.791 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)o[nH]1 613212147 ULYQVVIRYDHTKU-UHFFFAOYSA-N 405.440 0.093 30 20 HCED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669812726 PRCMISKLBDWZHZ-UHFFFAOYSA-N 413.548 0.311 30 20 HCED C=CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403049 IRUDVNSAFZAOKG-LZICOFPGSA-N 422.532 0.989 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cncn2)C1 727761057 WDQLFQDRXFNKEU-OAHLLOKOSA-N 402.480 0.959 30 20 HCED C#Cc1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1 728936968 ALJXGERWPIRYAF-ZDUSSCGKSA-N 401.444 0.615 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 729257677 NJARJEXXJWDPEO-OAQYLSRUSA-N 423.517 0.499 30 20 HCED COCCN(CC(=O)OC(C)(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 729405926 QYQSHOLVUVJXMO-UHFFFAOYSA-N 411.480 0.542 30 20 HCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c1=O 729673174 GOYFGUFKAOOYDE-UHFFFAOYSA-N 418.540 0.991 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)ccc1OC 733278383 UOVLVOQHRPRRFW-HNNXBMFYSA-N 410.496 0.908 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 734110863 OKINDDVHEWAXAY-ZDUSSCGKSA-N 409.464 0.296 30 20 HCED C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccco1 742592684 VWHFCLNFPZWCTJ-OLZOCXBDSA-N 418.475 0.918 30 20 HCED C#CCCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 743490847 WTMZTBSFDAATRR-UHFFFAOYSA-N 420.535 0.917 30 20 HCED CCc1nnc(S)n1CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743668679 OQRYMTCXQYVNMA-LLVKDONJSA-N 422.536 0.763 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 744026991 DLGRWYQINXKURU-FGTAOJJYSA-N 411.414 0.895 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1 746173042 HJQJQJONCAYDHT-UHFFFAOYSA-N 404.448 0.555 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 746272442 NVZNRSSWEJSYKT-HNENSFHCSA-N 418.475 0.743 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c1 746454803 QNBLFPKNKPFIJI-UHFFFAOYSA-N 402.432 0.127 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cn1C 750618095 CMLWGFKTNOGEQR-NSHDSACASA-N 405.436 0.449 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(C#N)nc2)nc1 751262318 CTJQNQQHJAOWTA-UHFFFAOYSA-N 410.481 0.684 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)C1=O 751623143 IXAHPUGBGLMGBM-NSHDSACASA-N 419.444 0.238 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](OCCN2CCCC2)C1 752108627 VBUWRRISDNCFTB-MRXNPFEDSA-N 420.535 0.829 30 20 HCED COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753358330 MDMCEOWSZMXTJQ-UHFFFAOYSA-N 417.487 0.789 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756890045 AVMAUZBFWKYKOM-KBPBESRZSA-N 418.516 0.206 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)CCOCC(F)(F)F 757119931 FEQDRMCCEWYLLD-UHFFFAOYSA-N 423.413 0.515 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(-c3cnc(COC)nc3N)no2)cc1 763348405 WJJLUNWCOXTJQH-UHFFFAOYSA-N 400.420 0.834 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(=O)N(C)C 763461177 TULKCPISCJTSMS-UHFFFAOYSA-N 414.531 0.845 30 20 HCED Cc1csc2nc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc(=O)n12 769642925 ZROCPDWGMVNPPN-UHFFFAOYSA-N 418.456 0.958 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cccc(Br)c2)c(=O)n(C)c1=O 771898829 UFZZKDRHTKGOCF-UHFFFAOYSA-N 401.242 0.159 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 773167388 XYINZXMHTNICRW-UHFFFAOYSA-N 422.489 0.756 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@H]1CCCO1 773788581 JSJQKVQACAXIAD-GOEBONIOSA-N 416.459 0.511 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)N(C)C 777444889 DWJGIZZUTRJVTL-CQSZACIVSA-N 409.512 0.527 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(Cl)cs2)c1=O 782791732 BTBVPZPKQGFTSR-NSHDSACASA-N 421.931 0.912 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3cnccc3c2)c1=O 782794371 YDHQTXLDLFBMCN-UHFFFAOYSA-N 418.478 0.357 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 784701088 WAYDYIFMWXBNQN-CQSZACIVSA-N 404.423 0.869 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)c1cc[nH]n1 789994798 CTPUGQKNGQZIJG-ZDUSSCGKSA-N 418.406 0.787 30 20 HCED C[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCCCC1 793701826 PHTJHILQTAGRHH-APWZRJJASA-N 411.506 0.766 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)CC1 797444329 FCQZCDMMCAGKPG-UHFFFAOYSA-N 407.448 0.176 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCOCCS(C)(=O)=O)cc1 806456692 UFFZYYVIEHIIAV-LBPRGKRZSA-N 403.482 0.555 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1C#N 809503769 IUEHDFIGSNDHLF-HNNXBMFYSA-N 400.479 0.895 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 810781409 AYSZEPSWFPBQHG-UHFFFAOYSA-N 407.477 0.629 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 815861742 XMLHVPMVMZRKPG-CALCHBBNSA-N 414.506 0.946 30 20 HCED C[C@@]12CCC(=O)N1[C@@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)CS2 816129004 GGKLZKIYPUMDAL-IAQYHMDHSA-N 410.433 0.725 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 916893623 DWDZMGVWXFPRIU-AWEZNQCLSA-N 407.386 0.602 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc[nH]n2)cc1 918270728 MTCCUYQXRJWWJM-JCMHNJIXSA-N 404.452 0.477 30 20 HCED CN(Cc1cccc(C(N)=O)c1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 918386303 ONVJVZOUWBMNQC-UHFFFAOYSA-N 400.460 0.873 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)nc1 918392296 YSOGXEBPOIDXKH-SFHVURJKSA-N 421.436 0.861 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 994749346 OWLJADLXIPIPFK-DZVNLGKHSA-N 401.467 0.436 30 20 HCED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1116119756 NTZQHYHZXHGXDP-ICDILTBESA-N 407.423 0.246 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)CCNC(=O)C(F)(F)F)c1=O 1166221373 OYIOBFLHZDGZNC-UHFFFAOYSA-N 400.357 0.190 30 20 HCED C[C@@]1(CO)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@]1(C)CO 1175292968 RTYDAMXHKWWKGU-FFZOFVMBSA-N 406.552 0.770 30 20 HCED COCCNC(=O)C1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 1253287926 RGDNWINYXUGYPN-MRXNPFEDSA-N 411.462 0.986 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1290237655 ZFJYLLFKTAVLNE-UHFFFAOYSA-N 409.284 0.932 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1S(C)(=O)=O 1299411960 SSTPBKIHEIZFOQ-ZDUSSCGKSA-N 421.500 0.945 30 20 HCED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1313556744 WYTDERBTLZFFAI-KSSFIOAISA-N 408.528 0.789 30 20 HCED C[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCN(C)CC1 1318605472 BTFQQNXEKWCUJH-CRAIPNDOSA-N 412.494 0.515 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H](C)C1 1322854670 LSAQUFSFFLHFAV-ZBFHGGJFSA-N 404.492 0.794 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2c2nnc([C@H]3CCCO3)o2)C1=O 1347016169 DAFFPBDLDGVNQV-CHWSQXEVSA-N 417.422 0.952 30 20 HCED N#C[C@@H](C(=O)Cc1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCS(=O)(=O)CC1 1356028387 CHEFGEKBNDOJHP-INIZCTEOSA-N 403.460 0.543 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1446598618 RJORAASYYDLSJN-GUYCJALGSA-N 420.491 0.121 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1 1449506014 YQNNARNVNZPKBZ-UHFFFAOYSA-N 413.525 0.354 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)n1 1466664358 IJONADFLUQLMPU-UHFFFAOYSA-N 404.452 0.924 30 20 HCED N#Cc1cn(CCNC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)c(=O)nc1O 1470361259 QIYMMNBRJIZREL-INIZCTEOSA-N 401.398 0.149 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2csc(-c3ccccc3)n2)c(=O)nc1O 1475510205 LMWBOLZIQXRSHE-UHFFFAOYSA-N 403.445 0.923 30 20 HCED Cc1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1492606271 ZOJQSCJQJTZZLM-HUUCEWRRSA-N 402.480 0.661 30 20 HCED N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC(=O)N2CCOCC2)c1 1521069702 RQMVJYWMTRSIGM-UHFFFAOYSA-N 423.477 0.377 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)c1 1540583534 YPMHAWUYGXEKOW-CHWSQXEVSA-N 402.398 0.825 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)cc1 1635073169 BPNIOHYZSJUCIA-INIZCTEOSA-N 419.507 0.450 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 1635347355 YWSQBKQFEJMGPT-GOEBONIOSA-N 423.491 0.328 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)C1CCOCC1 1686529295 OJXUUSDOPBUNNL-CQSZACIVSA-N 422.511 0.162 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC(N)=O)CC1 1722542843 IUMBESDSXALHIL-LLVKDONJSA-N 420.923 0.112 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccs1 1723961259 WNWNRLVZYINLOE-VXGBXAGGSA-N 411.513 0.316 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1748255393 VXCCEOVONVPAON-UHFFFAOYSA-N 404.496 0.824 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)CC1 1751279007 PNGBRZJSMKUBTB-HNNXBMFYSA-N 418.527 0.992 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777830827 LDYDILWQVRDINI-KUHUBIRLSA-N 415.454 0.369 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1778970411 ZGDQHPFKOWNOGE-LAUBAEHRSA-N 402.495 0.812 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C34CC(C(=O)OC)(C3)C4)CCO2)C1 1778972650 DBVMDWORLQEPCI-NHHVLVNESA-N 420.506 0.733 30 20 HCED COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1779107197 PMARMJLFMULFPY-CQTDXNOFSA-N 423.466 0.299 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1779281573 WCLACDRLDQYNEY-QRWLVFNGSA-N 407.467 0.016 30 20 HCED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1)C(=O)O 1780600393 WBFPRMVCWZQPRG-OXQOHEQNSA-N 400.435 0.064 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1781271673 GXFMORQHWQUDHP-MYKUNDNFSA-N 408.495 0.877 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300721 ZNLKXVAONNMYHP-NRFANRHFSA-N 416.453 0.596 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1 1781396810 SNGVFYHOMBEXQY-LIRRHRJNSA-N 405.455 0.730 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1782351878 IZSJFSNEOICVMC-HRAATJIYSA-N 411.462 0.520 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1782623933 OGZIJBFVSIDWEM-IURSYISVSA-N 405.499 0.138 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C(C)=O)C[C@@H]21 1783528417 VSDCGOMXLWDMRL-RIGXYXMPSA-N 405.495 0.440 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783586567 YGIBHIYECDCKCR-PZTGFMGMSA-N 404.511 0.666 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccccc3=O)C[C@@H]21 1784503856 KOVQMIXLJOPIMR-VMXHOPILSA-N 417.506 0.980 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1F 1785225725 PVQONEKXBAZNBR-GOSISDBHSA-N 409.439 0.586 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1785420541 DLGVSCNRLJQRRM-IERDGZPVSA-N 423.510 0.505 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3scnc3C)[C@H]2C1 1786090981 DCSRSXLXBHDFGA-PVPAMPSESA-N 418.519 0.903 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 1788573007 NCSHWVFPOFPUKI-NXNVCVFFSA-N 418.494 0.652 30 20 HCED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21 1789878994 WELWVIWMKGPEHD-QCPWZWHMSA-N 418.881 0.939 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C[C@@H]21 1790827172 CJWUHNORAVEAHT-WPVAHCMFSA-N 406.571 0.814 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Oc3ccccn3)[C@H]2C1 1791617982 KAJIFGBXSRNSOJ-GFEQUFNTSA-N 415.490 0.867 30 20 HCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](O)CC)c(O)n1 1792859295 DYDKURYIVFAPKK-DACLVMHWSA-N 403.479 0.880 30 20 HCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NS(=O)(=O)CC 1793318484 SDHGIPUKDJIBRG-DGADGQDISA-N 401.529 0.116 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cnc1O)C2 1793341241 NBUCDJOINSIKII-JFILPPLUSA-N 407.854 0.682 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)OC(=O)NC(C)C)C2 1793345493 QARWTNROINCECB-WCXIOVBPSA-N 423.510 0.528 30 20 HCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1793569050 NSOOZIIGFKUWMZ-WYTQMRBSSA-N 415.494 0.133 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)CC1 1793604835 YMNPIQXMFSCCIS-XRTNJVEMSA-N 402.491 0.969 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccc2ccccc12 1793818178 PFOGWPKMCNKIIZ-GPVSGQMNSA-N 422.437 0.896 30 20 HCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)n(C)n1 1794345323 PKZIXHPLOPGGFP-HGKCTWBKSA-N 409.446 0.817 30 20 HCED CS(=O)(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)C2 1795791434 LRVUWDATLVUNET-BTTYYORXSA-N 415.475 0.731 30 20 HCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCN(C)CC1 1797238415 WDMFLLJTLRYBTA-SCAQPMJSSA-N 400.470 0.035 30 20 HCED Cc1noc(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740549 REERUXPMMVRUNM-FPOVZSSWSA-N 417.510 0.895 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C2 1798393082 GCIQQSQLOJHCDF-ARKGTOAJSA-N 400.541 0.878 30 20 HCED O=C1CC[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@@H]2CCCCO2)CN1 1798494382 WXQAOFYZUWFWTB-PQWSGWCQSA-N 406.483 0.680 30 20 HCED O=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@H]2CCCCO2)CCN1 1798500227 RBUABFUFKHSTLN-IWOCKLTDSA-N 406.483 0.680 30 20 HCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(C)=O)c1ccccc1 1800510473 WNYXYLTZFRSMLT-IIZPIQPGSA-N 411.502 0.909 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CCOC)C2 1800544706 PORIIYXGFYNDMI-MIFYACCESA-N 412.437 0.944 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CCC)NC(C)=O)C(F)(F)F 1802037845 KGPJNVCPBDOTJK-XGUBFFRZSA-N 405.417 0.999 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1802139802 KKBWNFHYFHBEKC-XDRXCXCGSA-N 418.494 0.959 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 1802844043 NRDNRDZZARZPBF-NOCIGQNYSA-N 423.477 0.609 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCCC3(CCN(C(=O)C#CC(=O)O)CC3)C2)C1 1805516035 JVTVGIWONFMPKT-HZPDHXFCSA-N 404.463 0.895 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)C(=O)NCC(C)C)[C@@H]1c1cccnc1 1808443672 AFNROJQRBUQJPA-NEWSRXKRSA-N 414.506 0.898 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CN3CCNC3=N)CC2)C1 1809773076 WRSOTQAJFHGWTN-UHFFFAOYSA-N 417.558 0.339 30 20 HCED CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@@H]1c1cccnc1 1812333001 JCQPVAGXOWYERC-DUVNUKRYSA-N 409.581 0.890 30 20 HCED CC[S@](=O)CCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812881279 RZCAPQQJZUKIOP-AMWLZVBYSA-N 405.476 0.334 30 20 HCED CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814984089 KJLPDBWVQXYYFW-WCQYABFASA-N 420.539 0.862 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815764992 BXORCVXGTSXBGX-KWCYVHTRSA-N 418.454 0.591 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCCn1ccnc1)CC2 1825674116 CEKWEAKFBNVJIK-GFCCVEGCSA-N 401.448 0.820 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1828089932 RKGNYICHHSBJCY-JTQLQIEISA-N 400.397 0.193 30 20 HCED NCC(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCN2C(=O)OCc2ccccc2)C1 1828571631 DOTCRORSIRKSIT-HSZRJFAPSA-N 424.501 0.811 30 20 HCED NC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccc1 1831213483 RHYBXQBPIBNPBW-NFBKMPQASA-N 411.502 0.599 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216409 ORAJKAAHHBUHEE-VGOFRKELSA-N 412.490 0.752 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1831421522 KFTMFKSIORZTMP-LIRRHRJNSA-N 424.885 0.791 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1831485169 QPMCZYFEKBXNFQ-BBRMVZONSA-N 400.526 0.563 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C)[nH]1)CCO2 1831857463 BCFLYNLAZFYTLA-HXUWFJFHSA-N 420.466 0.298 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1832447230 QZLKVFMSWQKHKJ-BEFAXECRSA-N 413.540 0.277 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(=O)C3CC3)CC2)CC1 1833074351 KXZMUOKWTAFTJL-WAYWQWQTSA-N 416.522 0.396 30 20 HCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833122193 FQWLKWWHUDCVKO-KRWDZBQOSA-N 402.539 0.888 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)OC)CC2)CC1 1833477258 PSARTAJSFPANPT-OAHLLOKOSA-N 410.515 0.505 30 20 HCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c(F)c1 1833627872 HRJVWSGGJAFSID-NRFANRHFSA-N 417.437 0.713 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncs3)CCO2)C1 1834465564 KWJFDYKTZHEXLI-HNAYVOBHSA-N 409.508 0.786 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)CCO2 1837292151 FQWHVUAPWUAJFZ-VQTJNVASSA-N 414.418 0.091 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)(C)C)C2)C1 1837392939 IYLFAXIWZWRWJD-HRAATJIYSA-N 412.527 0.831 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)C3)C2)C1 1837666919 AUAHDGVVZWCUTF-KKSFZXQISA-N 407.511 0.571 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839265 CEIXTHQYNVMVII-MEDUHNTESA-N 400.888 0.518 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837906379 MJTLVIRYEVVYBS-HRAATJIYSA-N 421.469 0.864 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1839227201 MSERXXWRXQUURI-OXJNMPFZSA-N 419.482 0.656 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1839843316 XSDIALUDGFFNAK-TWOQFEAHSA-N 410.515 0.363 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840143717 CBURAGSZPLVHER-FGSXEWAUSA-N 418.490 0.612 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840209625 VUGSADOPXJCGDE-UWJYYQICSA-N 408.495 0.176 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1840346183 IUGLSIIBGHQAMZ-NRFANRHFSA-N 415.494 0.650 30 20 HCED C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840391036 QKVVNZAECHSALH-BEFAXECRSA-N 404.492 0.932 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550789 QOUHNAZVGUWQFX-YJBOKZPZSA-N 402.513 0.090 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1840840521 VSMKPZIWSWNLMR-QFIPXVFZSA-N 415.490 0.893 30 20 HCED C=CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881613 ZRXFKFZFVKZENZ-GZNAHNRGSA-N 418.446 0.849 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)no1 1844259426 OEFJIWNTDFXRDH-WSDLNYQXSA-N 416.482 0.388 30 20 HCED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2)c1ccccc1 1844334397 XHZDGIOFJGHBBK-SFHVURJKSA-N 422.485 0.939 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1846370116 XIZFLNSHODBSHU-STQMWFEESA-N 401.529 0.784 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054757 NNKGZRWZCWDSDR-GFCCVEGCSA-N 412.537 0.851 30 20 HCED CN(CC(=O)Nc1cccc(OCC(N)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 26059434 UGACTSLQRANFCR-UHFFFAOYSA-N 402.432 0.682 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 26769587 RKHMUJPKMWEISY-MRXNPFEDSA-N 407.496 0.595 30 20 HCED Cc1cc([C@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc(C)n1 41560278 XPEDSFDLUQYCDD-INIZCTEOSA-N 413.459 0.704 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 54877546 UUERLAUHFGDTMM-AWEZNQCLSA-N 408.480 0.824 30 20 HCED CCCCOCCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 55898578 HODDTUJRTYHOOY-UHFFFAOYSA-N 408.524 0.797 30 20 HCED N/C(=N/OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccnc1Oc1ccccc1 109846607 KVKYHELMMJFWHJ-ZDUSSCGKSA-N 404.448 0.814 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCO1 410129281 HOVNGLLLSROLQZ-QWRGUYRKSA-N 410.279 0.792 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CCO1 410160638 VAPQSLYTVFWVGI-ZDUSSCGKSA-N 416.862 0.706 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 434844342 UARLUGDJTOOCFF-NVXWUHKLSA-N 419.551 0.884 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 441957789 UTPLOSFHQBSAQF-CYBMUJFWSA-N 410.455 0.216 30 20 HCED CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 442327975 STLPEWMKTBZJLI-CYBMUJFWSA-N 421.866 1.376 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)c(Cl)c1 444138553 FZZRJROSCCEDOB-CQSZACIVSA-N 412.899 0.857 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(OC)c1 446530012 GKCSUGGTPHDMTD-UHFFFAOYSA-N 418.450 0.495 30 20 HCED N#Cc1ccc(OC2CN(C(=O)Cn3cc(Br)c(O)nc3=O)C2)cc1 461737552 PJTGDYRDXCNEMR-UHFFFAOYSA-N 405.208 0.873 30 20 HCED Cn1c(=O)c2ccc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)nc2n(C)c1=O 464683081 UNEYEFZDQXGCJY-UHFFFAOYSA-N 402.374 0.337 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 465199227 YYQYQWCCBKGORB-AWEZNQCLSA-N 419.445 0.751 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 465418862 VIACEYRIMMYBMM-LBPRGKRZSA-N 421.417 0.469 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1cc(C#N)ccc1F 476701890 UFRNMQDOUJPCDB-LLVKDONJSA-N 404.423 0.779 30 20 HCED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 480350263 BXVKQBBTJGFDEF-BRWVUGGUSA-N 405.476 0.920 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 482211611 KHRJCTKTBXOYAU-AWEZNQCLSA-N 402.480 0.293 30 20 HCED C[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 484769173 ZVKSVUOXPQDRAW-OAHLLOKOSA-N 422.507 0.576 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2OC)c1=O 489182353 XNGZLFXHYFAYFU-HNNXBMFYSA-N 413.499 0.737 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3ncccc3c2)c1=O 489193363 CWLBLEUOXCTXJN-UHFFFAOYSA-N 408.483 0.744 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 492484043 LUKOJXAYKHHEIE-KRWDZBQOSA-N 423.477 0.901 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)nn1CCC#N 505011840 ATLQGZASCAGXLM-LLVKDONJSA-N 400.361 0.713 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)n1 508321980 KUGYDOILCBEUHO-UHFFFAOYSA-N 400.292 0.985 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCNC(C)=O)Cc2ccc(C)s2)C1=O 512027803 VUKBKKFEFLYGPJ-UHFFFAOYSA-N 406.464 0.498 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n1 512363395 XGXHBIPSESRSRN-INIZCTEOSA-N 408.466 0.714 30 20 HCED N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCO1 517993982 AZAHQZVJOQTBKG-LBPRGKRZSA-N 402.270 0.868 30 20 HCED C=CC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 523949129 LUZVXHMNUCSGSE-ZDUSSCGKSA-N 408.480 0.998 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2C)C1=O 524060792 BXLFOPCPRMPJLY-UHFFFAOYSA-N 414.418 0.383 30 20 HCED Cc1ccc(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)cc1S(=O)(=O)NCC#N 532102644 VUJIXBSLPGANOQ-LJQANCHMSA-N 400.460 0.927 30 20 HCED Cn1ccnc1[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 535239952 SPIJFVOUTIOXDE-INIZCTEOSA-N 404.434 0.886 30 20 HCED CCNC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 538274363 NUKXBHSFFHCINI-IBGZPJMESA-N 416.501 0.882 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CC(N)=O)C2CCOCC2)CC1 544456195 GDXISRQSHXHMJL-IRXDYDNUSA-N 419.551 0.717 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncc(F)cn2)CC1 546116987 LXGLPTQZXQPSBQ-ZDUSSCGKSA-N 418.454 0.503 30 20 HCED C=CCOc1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 553898623 ASAAFFQRXBDICZ-UHFFFAOYSA-N 416.478 0.464 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCC2CCOCC2)CC1 556216705 QHYUZCZLIYZMNS-UHFFFAOYSA-N 413.434 0.998 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCOCC1 559553479 WXWFRLDDDHPZMS-GOSISDBHSA-N 413.522 0.938 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)CC(F)(F)F 561006817 YMPFATCTFSEYFR-UHFFFAOYSA-N 415.391 0.956 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 562222948 DDNOTMBMJBDHRH-RYQLBKOJSA-N 404.492 0.600 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)n1 564480955 AANFIEKQNWCIIL-UHFFFAOYSA-N 423.458 1.544 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 571973859 BSFICQSFNSMDNT-UHFFFAOYSA-N 420.539 0.989 30 20 HCED CCCCn1c(N)c(N(C)CCS(=O)(=O)c2ccc(C#N)cn2)c(O)nc1=O 574075093 IQBYNIJFNVSKLQ-UHFFFAOYSA-N 406.468 0.508 30 20 HCED COc1ccc(CC(=O)N[C@@](C)(C#N)CN(C)C)cc1S(=O)(=O)N1CCOCC1 584275567 HDCXCYGAKMRCIX-IBGZPJMESA-N 424.523 0.219 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC4(CCOCC4)CC3)n2)cc1 585761992 AJKQUMPJMXSHLT-UHFFFAOYSA-N 408.462 1.556 30 20 HCED COCCCOCCN(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587658585 BRHNAFOIDYNXMN-UHFFFAOYSA-N 403.483 0.550 30 20 HCED CN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(C2CC2)C1 588866256 JMIZMFXLRKRZRY-OALUTQOASA-N 409.490 0.865 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)C1=O 590500182 SXRTWQNJGBKRNS-UHFFFAOYSA-N 419.482 0.586 30 20 HCED CN(CC(=O)N1CCN(CC(F)(F)F)CC1)S(=O)(=O)c1ccc(C#N)cc1 603445541 PBHZBNXNJMKNDS-UHFFFAOYSA-N 404.414 0.885 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 604031756 GJHHEOPRAUYBGN-NSHDSACASA-N 405.885 0.135 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1=O 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406.508 0.880 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 764448733 OKUQNTSQIXLCDM-UHFFFAOYSA-N 413.409 0.924 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 765304535 UVFQTIZCRMHCOU-UHFFFAOYSA-N 418.519 0.898 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 766800885 BVQDMZOWOQRXFR-UHFFFAOYSA-N 414.418 0.864 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 766977788 MFGRBPYNZJAFDU-IYVPYFHTSA-N 415.427 0.179 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 766986549 HDOVCXVCRWKCRI-FPMFFAJLSA-N 419.459 0.935 30 20 HCED NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C#Cc1ccc2c(c1)OCO2 769283960 VYSBZMQJAFNROG-QGZVFWFLSA-N 407.426 0.486 30 20 HCED CS(=O)(=O)CCCCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 775983642 OOHVBACHVLKFHH-UHFFFAOYSA-N 415.537 0.836 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CNS(=O)(=O)c3ccccc3F)nc12 782469473 JGNAYDWMVYZRQX-UHFFFAOYSA-N 405.367 0.467 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O 782932413 JDOPKBFPFOLRAM-HUUCEWRRSA-N 415.498 0.942 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccnc3-n3ccnc3)CC2)n1 787439809 CWDUAQQUPSBFML-UHFFFAOYSA-N 416.445 0.499 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794646790 IRMJAFYTXHFWKL-UHFFFAOYSA-N 407.430 0.117 30 20 HCED CS(=O)(=O)NCCNC(=S)N1CCC(Oc2ccc(C#N)cc2F)CC1 795138437 IHRJKTCWCRVMPH-UHFFFAOYSA-N 400.501 0.964 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 795188717 XWNXCPHXTDCBII-CQSZACIVSA-N 416.503 0.097 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(Br)cn2)cc1 803573809 PQASNPULFKRZHR-UHFFFAOYSA-N 411.281 0.987 30 20 HCED CN(C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1)C(=O)OC(C)(C)C 805058274 OTUYFFBSZXNSDJ-HNNXBMFYSA-N 407.515 0.806 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](N1CCOCC1)C(F)(F)F 806781025 UFJPSJAVVRDTRD-JOLOJFPGSA-N 405.377 0.075 30 20 HCED Cn1nccc1CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 808017773 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CS(=O)(=O)c1nnc(COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)s1 1257494009 BCPHXNUCTGWMEX-LLVKDONJSA-N 406.445 0.910 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1286960740 PPXGHBGIGYTTMX-CQSZACIVSA-N 408.528 0.935 30 20 HCED Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1290685948 SLMGMBDPGRRJKS-MNOVXSKESA-N 412.545 0.887 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)cc1 1347522033 DGYQWZFDKQRDHI-UHFFFAOYSA-N 408.480 0.601 30 20 HCED CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)CC1 1359402203 RGUJKBLMIPINOH-MRXNPFEDSA-N 416.530 0.160 30 20 HCED CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1442331436 VTGREDVYZAAEON-LBPRGKRZSA-N 406.826 0.442 30 20 HCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN[C@]1(C(N)=O)CCOC1)CCCC2 1460312342 XXARNWOZCXNBRU-SPLOXXLWSA-N 415.494 0.590 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 1468406419 XIRBOVFUQBLAMM-MRXNPFEDSA-N 410.521 0.797 30 20 HCED CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1502199788 SNSUCFFILKBNFF-ZBFHGGJFSA-N 408.528 0.393 30 20 HCED N#Cc1cn(CCNC(=O)c2cnc(OC3CCOCC3)c(Cl)c2)c(=O)nc1O 1633550200 LESDCAMWMFPDNB-UHFFFAOYSA-N 419.825 0.857 30 20 HCED CC(C)CNC1(CO)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1634090626 PXXPGMXIQZLKGG-INIZCTEOSA-N 422.551 0.824 30 20 HCED CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645093068 XQMXNRDCEAATKX-UNEWFSDZSA-N 423.491 0.842 30 20 HCED Cn1c(=O)[nH]c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(C#N)c1=O 1650651326 DILYODXGRGCDHM-UHFFFAOYSA-N 403.826 0.326 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC(CNC(=O)C(F)(F)F)C3)C2=O)cc1 1680779227 UTKSGFOTAMRQLD-HNNXBMFYSA-N 423.395 0.979 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1697023399 IQWVLBFBLCSXDG-ZDUSSCGKSA-N 420.495 0.861 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1747603911 XLHDZMVVJANHMU-INIZCTEOSA-N 415.479 0.437 30 20 HCED 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BYAMGWDVVJQPIY-QWHCGFSZSA-N 424.531 0.907 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508917828 LBSDDTVAZXRXQM-MRXNPFEDSA-N 423.543 0.741 30 20 HCED COC(=O)c1cc(Br)cc(S(=O)(=O)NCCn2cnc(C#N)n2)c1 511398861 QCCKRKBSKWPMLP-UHFFFAOYSA-N 414.241 0.677 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512123887 OKZYBRQNZHEWND-LLVKDONJSA-N 417.426 0.922 30 20 HCED CNC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 516034676 BCUPVHCJPNMBST-KRWDZBQOSA-N 418.519 0.944 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CCO1 519281760 JWMSBRRVKNVVKI-MRVPVSSYSA-N 402.226 0.693 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3[C@@H](O)C(F)(F)F)CC2)o1 533417755 OWFKMRYLCZHHHP-DZGCQCFKSA-N 401.389 0.891 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)ccc1I 538592386 SSRHXSQEIFVDBY-UHFFFAOYSA-N 417.203 0.657 30 20 HCED CN1CCC(O)(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542071754 BVXUTPLPLFJEBY-UHFFFAOYSA-N 416.869 0.909 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550919504 PUXVFKRKOCZACC-UHFFFAOYSA-N 403.258 0.267 30 20 HCED C[C@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(N)=O 551351717 GSKCGVQGWNPTJC-CXAGYDPISA-N 417.429 0.851 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCc2cccc(C#N)c2)cn1 556033692 KLJLJOMWISSRCA-QGZVFWFLSA-N 415.475 0.389 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1 558150327 KPJRPUJTYHQHOS-UHFFFAOYSA-N 417.495 0.483 30 20 HCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1 559220352 CQEJEZGSOFWSOP-INIZCTEOSA-N 416.507 0.935 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 559968184 BLCVVIPBDIUVQS-UHFFFAOYSA-N 424.935 0.385 30 20 HCED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 578287199 FAWBKMVILARHBM-CYBMUJFWSA-N 421.397 0.729 30 20 HCED COC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CCCO1 582452671 XOODEAJCPBVWJZ-RBUKOAKNSA-N 402.495 0.759 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ncccc3F)C2)c1 582457232 GRBOKNSPOWLFBT-AWEZNQCLSA-N 403.439 0.766 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 604169190 RDGSWSYACSTGAS-UHFFFAOYSA-N 414.447 0.039 30 20 HCED COCCCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 608891518 OZEPSEBJTCLDPE-UHFFFAOYSA-N 408.524 0.796 30 20 HCED COc1cc([C@H](C#N)NC(=O)C2CCN(S(N)(=O)=O)CC2)cc(OC)c1OC 609008128 PFAJIJPJVYYGEJ-ZDUSSCGKSA-N 412.468 0.309 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccnc1 609038963 UHNZUZKOCFTFPG-UHFFFAOYSA-N 423.523 0.786 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NC2CCN(CC#N)CC2)CC1 609336449 XHYNLXFIDAHRCS-UHFFFAOYSA-N 424.527 0.685 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](C(F)(F)F)C3)n2)cc1 610531524 VTFXSEXPUWTYOJ-ZDUSSCGKSA-N 408.340 0.926 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1cccs1 610693923 IIMKVVYAHFGNPF-LBPRGKRZSA-N 406.493 0.425 30 20 HCED CN(C)C(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 611428963 NHVFHQDMTCYLHV-QGZVFWFLSA-N 418.567 0.163 30 20 HCED CCN(C(=O)CN1CC[C@@](F)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 615636213 XAFXVJNTYWOLDE-HXUWFJFHSA-N 414.441 0.870 30 20 HCED Cc1ncc(CO)c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1O 727972062 QWUZDSMVCYBQKY-UHFFFAOYSA-N 419.507 0.970 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 729241651 UOBBSLMAXKRJKK-FQEVSTJZSA-N 424.417 0.874 30 20 HCED O=C1Nc2c(I)cccc2C1=NN=c1nc2[nH][nH]cc-2c(O)n1 731154520 PQGHGYONPOHMSY-UHFFFAOYSA-N 421.158 0.805 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 731723163 UUWCGJZUFLCUHX-KRWDZBQOSA-N 404.419 0.243 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 733310214 AOFNTFOBDZYDOK-OCCSQVGLSA-N 403.464 0.525 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCNc1ncccc1C#N 742056099 ZPTXALLJEMPHCX-GFCCVEGCSA-N 405.484 0.199 30 20 HCED C#CCCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 743971755 DCUJUPXMKWXIFQ-UHFFFAOYSA-N 404.442 0.955 30 20 HCED C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)N(CCC#N)c1ccccc1 748429244 QASBITBGYQKGPV-CYBMUJFWSA-N 405.436 0.409 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCNc2ccc(C#N)cn2)C1 753375128 SIDMZILSZXUXFL-INIZCTEOSA-N 424.527 0.447 30 20 HCED COCc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ncn1 755555467 XKWHBGXCIRGZTK-WCQYABFASA-N 404.427 0.437 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2coc3ccccc23)c1=O 758078464 MHHCIODMCGEQJS-UHFFFAOYSA-N 407.451 0.555 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(S(C)(=O)=O)CC2)C1 758762539 TXTCISKVXOMICJ-QWHCGFSZSA-N 401.489 0.032 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 761031819 DDYTWPTZZQHERQ-IRXDYDNUSA-N 404.536 0.828 30 20 HCED C[C@H]1CN(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCO1 762645187 XRLGVWNSADEDPN-HNNXBMFYSA-N 408.524 0.732 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767888185 PJDGTTPGHJCQQX-UHFFFAOYSA-N 401.473 0.430 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCOCC2)nc1)c1cc[nH]n1 770821431 JJAKBEBMNBVNMH-UHFFFAOYSA-N 416.438 0.242 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)[C@@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 780607340 PKFGLOQNASHCND-VXGBXAGGSA-N 415.493 0.129 30 20 HCED CN(C)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 782681596 UEXDBAYIMDQBGX-SILNSSARSA-N 409.512 0.458 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 783475872 PGOWPVUVQYEKLT-UKRRQHHQSA-N 420.487 0.996 30 20 HCED CC(C)CN1C[C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCN2C1=O 785329981 MXMLKTWKYWIEAK-AWEZNQCLSA-N 419.507 0.330 30 20 HCED CN1CCN(c2ccc(CNC(=O)C(=O)NCc3cc(C#N)ccc3F)cn2)CC1 786136704 FVMRTDULMXXRJN-UHFFFAOYSA-N 410.453 0.777 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CCCN(S(C)(=O)=O)C2)cc1 786492690 SGSARCSZZOQNAN-AWEZNQCLSA-N 414.505 0.427 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 789757819 OXBSTRNGIYVKOY-MRXNPFEDSA-N 404.511 0.527 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1F 792305745 LELXWTXCSDQZQB-HNNXBMFYSA-N 409.439 0.185 30 20 HCED Cn1ccc(N2CCC[C@H](OC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)n1 795325493 ZBGXNNZDEPLUCA-HNNXBMFYSA-N 417.447 0.309 30 20 HCED CNS(=O)(=O)c1cccc(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)c1 849086726 MILFXWJJOITGAX-OAHLLOKOSA-N 423.539 0.975 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2)c1=O 916200148 VKNSYSUOHNUNIK-UHFFFAOYSA-N 417.462 0.057 30 20 HCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 916872698 IPKRLOYNKOOBGU-NVXWUHKLSA-N 417.441 0.886 30 20 HCED C=CCNC(=O)[C@@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 916916771 BQFNFAVFJKAOGV-AWEZNQCLSA-N 417.491 0.767 30 20 HCED Cn1nccc1[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1140896749 YZJNZOSIKQBUKG-RHSMWYFYSA-N 403.464 0.607 30 20 HCED CC(C)(C)c1ccc(C#N)c(OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 1166383931 PFMCJEYTNKYWAU-MRXNPFEDSA-N 420.535 0.961 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1309657415 OICGSJDCJFWQOZ-HNNXBMFYSA-N 415.541 0.117 30 20 HCED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1320306704 ZQJORDPHNIVGJM-GFCCVEGCSA-N 411.509 0.908 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](OCCN4CCOCC4)C3)CC2=O)cc1 1320706713 FPWXYHQMMZUGBF-QUCCMNQESA-N 412.490 0.861 30 20 HCED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1465344054 QZNXUNUDOKELMX-MAUKXSAKSA-N 411.462 0.616 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)[C@H](C#N)C1 1465696945 WIWUOHPKDKBDAT-CYBMUJFWSA-N 409.468 0.331 30 20 HCED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1478420108 MZIJVPVQCBTHMD-PVAVHDDUSA-N 400.435 0.619 30 20 HCED COCCn1cc(N2C[C@H](C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2=O)cn1 1527491316 PCQNMDMYDJSSNU-AEFFLSMTSA-N 424.461 0.829 30 20 HCED CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1615732304 MFZBTYHHADWMJX-HNNXBMFYSA-N 412.502 0.253 30 20 HCED CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCOCC2)CCOC1 1616125642 LDDAXUNBJOERIF-OXJNMPFZSA-N 420.514 0.917 30 20 HCED CN1CCn2c(CN(C)C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)nnc2C1=O 1638204651 WCBNMZBKMJILJZ-CQSZACIVSA-N 407.434 0.247 30 20 HCED CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1692239978 UYFOSIWABLPNTN-HNNXBMFYSA-N 423.499 0.313 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1761546655 CTNJFHTWWOKCFR-HNNXBMFYSA-N 423.539 0.852 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1766371403 XBBLHKCAEOHNQT-MRXNPFEDSA-N 416.507 0.918 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1779100399 CANQWCIEIBDDDW-UAOQYHQXSA-N 419.482 0.701 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1779104864 OWNMEEJQCJUPTP-DDQAZAJHSA-N 416.478 0.983 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779125981 KDIHNXPOGUUSDW-JLTOFOAXSA-N 404.467 0.755 30 20 HCED Cc1nnc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)o1 1780177824 LUZOJVBDILMYOI-OXQOHEQNSA-N 412.450 0.948 30 20 HCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N2CCN(C)CC2)C1 1780642078 KVPYAAVKDGITCZ-TXTKFYIRSA-N 418.582 0.940 30 20 HCED CN1CCN(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780697074 WXRQNPZUXAFWFI-JOCHJYFZSA-N 411.506 0.249 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1781264716 BAVFJPZEPDAKQD-HXUWFJFHSA-N 402.451 0.358 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781488188 UTACXRMISPDAIV-CSODHUTKSA-N 402.495 0.969 30 20 HCED CCS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781960943 BVZYTTWEVJBLOQ-IBGZPJMESA-N 423.466 0.576 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961225 ICFNFALQDMIHDH-XCLFUZPHSA-N 402.426 0.652 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782953673 PCCYQLOLAFQPKY-WMLDXEAASA-N 402.538 0.313 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)n1cnnn1 1783606197 ISJQLAITXAANGG-FCLVOEFKSA-N 423.477 0.328 30 20 HCED 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408.524 0.848 30 20 HCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)[C@@H](C)S)CCO4)C3)(C1)C2 1840165163 XBMNGVQCHWUZBF-LUPGOKSRSA-N 412.508 0.104 30 20 HCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1847289067 WZDLZCUCAUCQTG-HRCADAONSA-N 403.479 0.990 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848347097 LGKYCNDTUSHBLD-JQQARTOFSA-N 404.423 0.430 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 28638974 DOXJNSADTBALKY-UHFFFAOYSA-N 404.448 0.498 30 20 HCED C[C@H]1CN(Cc2ccccc2CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 409574070 ZOPVVDFOQVKRAL-FCEWJHQRSA-N 408.524 0.855 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)ccc1Oc1ccccc1 426555793 MOMOYSBZWZTIJA-UHFFFAOYSA-N 407.386 0.957 30 20 HCED CC[C@H]1CN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CCO1 427858824 MKJCIGNLVRFFLV-INIZCTEOSA-N 404.467 0.749 30 20 HCED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 435054672 FAJYWIVBRYZVON-LPHOPBHVSA-N 400.479 0.637 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 437395712 WBDSMCAMMZJNIU-SOUVJXGZSA-N 404.471 0.466 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CC(N)=O)C3CCCCC3)n2)cc1 442025411 FABXWUIWIWASGL-KRWDZBQOSA-N 423.477 1.077 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)cc1 442503710 BLNPWZCSWJAIQR-AWEZNQCLSA-N 423.491 0.843 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CN2CCOCC2)cc1 464299495 FIPUGFYVPJDQNH-KRWDZBQOSA-N 406.508 0.815 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 467048919 UDHZYXYXGXMXGP-ZVZYQTTQSA-N 405.476 0.979 30 20 HCED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471056615 LHZXWAVCIXJJCE-OAQYLSRUSA-N 413.478 0.391 30 20 HCED CC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 472528728 QMCMTLRWZNZCJM-INIZCTEOSA-N 405.480 0.195 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)c1C#N 472884940 WRJPYBAZYGHYHX-UHFFFAOYSA-N 409.454 0.537 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1=O 475825147 DSPCTKKBZKVJJH-SJORKVTESA-N 412.446 0.329 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 481470241 WYKGLGGIPVGVPL-GFCCVEGCSA-N 412.468 0.739 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3csc(S(N)(=O)=O)c3)C2=O)cc1 486015639 KECMHXRDYKYLMR-AWEZNQCLSA-N 404.473 0.798 30 20 HCED CN(C)CCN(C[C@@H]1CCCO1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 499932773 UBRJUBUQIPXCJN-KRWDZBQOSA-N 408.524 0.748 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 510229618 QWFSWZODZZHRTP-UHFFFAOYSA-N 409.487 0.953 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 511325090 KLHOVWWCRBPARF-DGCLKSJQSA-N 416.481 0.853 30 20 HCED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 513245612 ZPVUHIBDZHIBJN-CYBMUJFWSA-N 412.381 0.474 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 514821581 CREHBVBBJWBMDL-UHFFFAOYSA-N 418.479 0.004 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C#N)s2)c1=O 531131151 ASERDKDKEHOTGG-UHFFFAOYSA-N 402.501 0.519 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c(C#N)c1C 532551665 HYFMCWJKCRIESV-HOTGVXAUSA-N 417.510 0.960 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 537520292 TXSDCTNRWUQZLE-KBPBESRZSA-N 410.496 0.908 30 20 HCED COCCN(CC(=O)NCC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 542219625 IIKMWOBXOKRNNZ-UHFFFAOYSA-N 411.480 0.653 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)nn1 545498435 LBUVXTKSEBTVDA-OAHLLOKOSA-N 406.406 0.791 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)C2)nc1 551065127 SXFYKSYYNCLZGM-KRWDZBQOSA-N 417.429 1.211 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 551429246 FLNVPNVJZNFSAQ-HNNXBMFYSA-N 414.443 0.975 30 20 HCED CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 555022598 ZVVONGSKJUZZOY-UHFFFAOYSA-N 423.477 0.344 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 557788064 YRYGRAWPUJDLQX-UHFFFAOYSA-N 423.521 0.470 30 20 HCED CCN(CCOCCO)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 558043609 RVVCOTDMMSRZRV-INIZCTEOSA-N 406.458 0.640 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCC(C#N)(c3ccccn3)CC2)cn1C 558640163 KRRMDLCBZYIBDZ-UHFFFAOYSA-N 402.480 0.486 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 559577499 LBFUVHOVXKKOII-UHFFFAOYSA-N 408.524 0.320 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 575413643 WAQGDPKCGPPGBS-UHFFFAOYSA-N 411.514 0.883 30 20 HCED CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 576901502 XFIVEQOZIXLUIL-RBUKOAKNSA-N 411.506 0.968 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)C1=O 577987510 KOBNVVZEMXRLFB-CVEARBPZSA-N 402.499 0.059 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)c(F)c1 583161175 LIPRDCXXCVZUAN-RBUKOAKNSA-N 416.453 0.752 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585771503 VQXWJGNCIMYNIU-ZDUSSCGKSA-N 416.482 0.493 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603733370 REMDINZXWBVSCF-UHFFFAOYSA-N 420.535 0.486 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccn2)c1=O 603795585 ZUMAHCANVYOGKD-UHFFFAOYSA-N 411.531 0.382 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCCCO)C2CC2)CC1 609846119 YZFBHCPQQUDBBT-UHFFFAOYSA-N 420.535 0.628 30 20 HCED CN(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 610570100 WWXLEHAHGUIWPS-AWEZNQCLSA-N 421.928 0.794 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 610870520 AMPYTQSKCNAPKN-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611609972 ZHXRNOBJKSQIDT-UHFFFAOYSA-N 419.438 0.857 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 685171339 GPYSLYRXYKGHEO-YOEHRIQHSA-N 402.499 0.187 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1=O 725780139 MNYMBLZLSLMLSM-OAHLLOKOSA-N 421.498 0.348 30 20 HCED CCS(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 727937475 WBHVVBUZTLFVLN-UHFFFAOYSA-N 404.496 0.993 30 20 HCED CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)CS(=O)(=O)CC 733182910 CHOAQCDUYOCIKB-ZDUSSCGKSA-N 415.537 0.787 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 737219289 WSRAVPHINMFBQW-SJORKVTESA-N 401.467 0.912 30 20 HCED CN1CCC[C@H](N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C1 738214672 QEMMXCOLQVNQQL-FQEVSTJZSA-N 410.522 0.992 30 20 HCED C[C@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741098835 NYXFNQBMDSSRDH-LHKXHVCISA-N 424.523 0.961 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 743905552 MCTWOBAIQSIITE-UHFFFAOYSA-N 411.455 0.612 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)OCc1nnc(-c3ccc(C#N)cc3)o1)c(=O)n2C 744563669 GEQUJXBPXBSXKU-UHFFFAOYSA-N 421.373 0.099 30 20 HCED C[C@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745445519 MEESKVAXXDCJSA-BBVCAZISSA-N 411.414 0.269 30 20 HCED C[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 745498604 YKTBMOCCNYHNDT-OLZOCXBDSA-N 409.464 0.294 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 745813878 SDODOTYQUANJPS-AJPUSMNYSA-N 423.473 0.969 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cn1 746412538 VYDXLVNIDRNUTD-UHFFFAOYSA-N 409.450 0.200 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)CC1 748816639 IKJJRKPBZIVLQX-UXHICEINSA-N 403.571 0.076 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)Cc4ccc(C#N)cc4)CC3)ncnc21 750249182 CIFWKBFEVHOIAT-UHFFFAOYSA-N 419.445 0.669 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1C 750619662 CTAJSWRMBRZNMK-PXAZEXFGSA-N 413.500 0.383 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](C#N)C1 756919652 HRXMNOHKPWEXFK-CHWSQXEVSA-N 405.455 0.726 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCNC(=O)c2cccnc2)C1 758338349 MMPFIFKJDSNQJP-LSDHHAIUSA-N 402.455 0.870 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 759327013 YQKXHIPJTSWYPR-SFHVURJKSA-N 408.424 0.956 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)cc1 762132039 XIQNSLLRPRRDSX-ZDUSSCGKSA-N 400.478 0.860 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2sccc2OC)c1=O 765144949 NENXFGNSHYPRHV-UHFFFAOYSA-N 405.501 0.408 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1sccc1C#N 769195591 YMNVBUNOXIGKDI-UHFFFAOYSA-N 404.429 0.952 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCCO1 773802334 ZTGQMMYAYBAGSM-GJZGRUSLSA-N 409.439 0.502 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 773943449 OKZGISBQMGPCRC-KKUMJFAQSA-N 407.492 0.903 30 20 HCED Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NS(=O)(=O)CCCC#N)c1 776116571 VDJPEWKBEAQJNN-UHFFFAOYSA-N 422.492 0.909 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 776143787 JKTYPQUUEOJEIR-JHJVBQTASA-N 415.537 0.889 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1 781036310 LFZHDHLJSPQCGR-GDBMZVCRSA-N 422.459 0.165 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H](CCSC)c1nnc2ccccn12)[C@H]1CCCO1 785601806 NBQFKKQUYRINSO-RRFJBIMHSA-N 401.492 0.937 30 20 HCED N#C[C@@H](C(=O)CCn1cnccc1=O)c1nnc(N2CCOCC2)n1-c1ccccc1 796759110 DBQVBFRJRVEZQS-KRWDZBQOSA-N 419.445 0.927 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)CC2(C#N)CC2)cc1 797276106 QURVEJVCGQRBHF-HNNXBMFYSA-N 411.505 0.898 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1 797545160 XFRQJCXUCGZWMT-JCMHNJIXSA-N 403.464 0.858 30 20 HCED C#CCN(CC#N)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 798798226 YLEXHYZTSHYVCD-UHFFFAOYSA-N 414.443 0.560 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 799272558 ICGOEIBYNYCISQ-OAHLLOKOSA-N 423.491 0.429 30 20 HCED Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(C#N)n1 803551554 VEJHZRLKIMIVCO-ZDUSSCGKSA-N 400.443 0.704 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)c1 804052652 DNYUODQVCZQDGP-PXNSSMCTSA-N 412.490 0.907 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)n1 806177934 MVDNZQWZVZTRCQ-SJORKVTESA-N 417.510 0.255 30 20 HCED COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 807045905 JECAKSKKQXFDOZ-KGENOOAVSA-N 424.479 0.506 30 20 HCED CN(C[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1)S(C)(=O)=O 807299787 TWYFAKDPOCNESL-CQSZACIVSA-N 408.480 0.657 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)Nc1ccn(CCC#N)n1 810411704 SJDAMVRWQUNGRV-UHFFFAOYSA-N 416.463 0.575 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C 815860692 WZEFSLSASUUNGX-UHFFFAOYSA-N 400.479 0.477 30 20 HCED COCCNC(=O)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 843486775 JXKXNPDYSIHCPC-CQSZACIVSA-N 410.496 0.019 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 914879884 VTBIDHOSIXDWMR-GOSISDBHSA-N 405.520 0.925 30 20 HCED CCn1cc(C#N)c(=O)n(CC2=C(C(=O)OC)[C@H](c3ccccc3)NC(=O)N2C)c1=O 915794645 KENCYHTVEMQVRO-KRWDZBQOSA-N 423.429 0.725 30 20 HCED COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C#N)C(=O)Cn1ccc(=O)n(C)c1=O 916901140 ZIVYOILJBXNFBS-NSHDSACASA-N 404.810 0.865 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1301968787 PVCAOYDZVIDGIG-KBPBESRZSA-N 414.532 0.368 30 20 HCED CS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316350681 VDUWGMQKYNDESS-CVEARBPZSA-N 408.528 0.741 30 20 HCED CCS(=O)(=O)C[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1318476566 ZQQUZFNZLNTPBJ-IUODEOHRSA-N 406.464 0.703 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1320532074 QONLOHDCWBPUNB-HOTGVXAUSA-N 418.475 0.799 30 20 HCED COC(=O)c1ccc(C=NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 1323561916 RBDWZLXCWFLEKQ-UHFFFAOYSA-N 418.494 0.883 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 1327140473 OVKGIZFQYUSLRA-UHFFFAOYSA-N 410.474 0.313 30 20 HCED Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1339962014 XMKIZCGAXGSBSM-CYBMUJFWSA-N 417.495 0.781 30 20 HCED CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 1457848449 FKYWHUSCIWOSIH-QGZVFWFLSA-N 402.517 0.635 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N(C)C1CC1 1510192721 QQFUGPOXNMJADA-IIYDPXPESA-N 413.523 0.813 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1541805849 YTYPFMNZNJXHHI-KSSFIOAISA-N 404.496 0.552 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)CC1 1555990034 JWNFLJPNIYAXBY-KRWDZBQOSA-N 422.555 0.642 30 20 HCED N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCO1 1561222908 YUYVWDDETHHGNC-IRXDYDNUSA-N 409.464 0.578 30 20 HCED N#Cc1ccc(NCC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1 1629500292 KXMAUPPRZBYMNU-UHFFFAOYSA-N 407.496 0.455 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1630967098 ZWFXTFJTVCBESX-JLJPHGGASA-N 413.883 0.341 30 20 HCED 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1815596956 HJTFUDHZKGLXRG-ZDUSSCGKSA-N 420.495 0.873 30 20 HCED C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCNC3=O)n[nH]1 1816627073 WILVRAYPPVSTOE-GWCFXTLKSA-N 417.495 0.974 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](C)NC=O)n[nH]1 1820874210 QKSVXJASXIOVJW-JVCLFCCPSA-N 402.455 0.395 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCSCC4)CCO3)C2)C1 1829705013 YBDKIINCSOVGFX-FQEVSTJZSA-N 409.552 0.458 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1830056128 NARNUCFFNMPBQF-LJQANCHMSA-N 404.423 0.113 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830619361 XAZDBESEETWYDD-NFBKMPQASA-N 414.502 0.902 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1830744190 UEXBPLGKXQNSGA-FOIQADDNSA-N 424.498 0.517 30 20 HCED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CC1 1831372793 MRHQEBPWEKURIL-HSZRJFAPSA-N 412.486 0.921 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831418716 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0.773 30 20 HCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835743571 QHCLZEVZQHGUIG-UHFFFAOYSA-N 421.611 0.846 30 20 HCED C[C@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835809005 YKOGJGZTYGDXEA-MRXNPFEDSA-N 401.515 0.790 30 20 HCED C[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1836560102 XYJTXNHUZNVSQM-LLVKDONJSA-N 409.512 0.391 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nncn5c4)CCO3)C2)CCC1 1837020539 RRCDQCWWVJRLOH-OAQYLSRUSA-N 424.461 0.493 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3sccc3[nH]1)CCO2 1837132707 JIEUKHNMWVXGIF-LJQANCHMSA-N 417.443 0.387 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnccn4)C3)C2)c1 1838741822 CZYCCRLALBJVDB-NRFANRHFSA-N 424.461 0.379 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)cc1 1838952692 FPBQAASVSPEASJ-OAQYLSRUSA-N 424.461 0.310 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)cc1 1839362397 PNBZVIHIERQPJV-OAQYLSRUSA-N 409.446 0.860 30 20 HCED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839422983 DUZKMXGHZXJIAX-FQEVSTJZSA-N 420.897 0.843 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487691 FLQLPPLHBSPKMR-HXUWFJFHSA-N 408.418 0.418 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839646930 GSGCJWCWGQGCCZ-SQCZWCDGSA-N 423.510 0.056 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1839839949 QXNRHYQLQWTRJZ-QKKBWIMNSA-N 418.494 0.669 30 20 HCED NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1842880004 QKWDXYBYBQCAIN-IYNGYCSASA-N 404.492 0.283 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCc1ccccc1)C2 1845960578 PWJQPGWLYCUNEI-HKUYNNGSSA-N 411.458 0.595 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCC#N)CC2)cc1 9392266 DKYKRXJUPXOYOF-UHFFFAOYSA-N 409.464 0.669 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(CCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1 51708938 GGRBJMNYTMNYSK-CALCHBBNSA-N 408.524 0.909 30 20 HCED C[C@@H](CC#N)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 64346292 HMSNYIBFKBUIMO-AWEZNQCLSA-N 419.507 0.945 30 20 HCED Oc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc(O)c1O 261508238 QSEDECCPFXYWAN-YBFXNURJSA-N 417.426 0.108 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 409555329 SGIRIBXPEQIYEX-CQSZACIVSA-N 424.552 0.600 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)n2)c(F)c1 427517369 VOEZVPDYDCKYFW-UHFFFAOYSA-N 422.424 1.352 30 20 HCED CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 427894183 LGHATMPBCMQNIA-HNNXBMFYSA-N 414.441 1.049 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 431977902 QVMGSNIRVLPXNE-OAHLLOKOSA-N 408.480 0.410 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCN1c1nccn2cnnc12 433911142 XWIAOSRWOIBAHV-LBPRGKRZSA-N 408.397 0.811 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 435423860 SKRCPSZRACDGSF-UHFFFAOYSA-N 416.462 0.785 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 437456837 BJNIRYQQGTWDFB-UHFFFAOYSA-N 403.531 0.933 30 20 HCED COCC(=O)N1CCc2cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)ccc21 438744093 KQHQUGRVKSCNBE-UHFFFAOYSA-N 415.494 0.855 30 20 HCED CC#CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 440607389 APXJULCWJLIZCZ-CQSZACIVSA-N 421.475 0.338 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1C(F)(F)F 441830900 UXGPOFOFNPSQQM-UHFFFAOYSA-N 406.324 0.852 30 20 HCED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441879179 MKXBVVURQDHEAP-MRXNPFEDSA-N 409.450 0.606 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)c1 444489063 RNELBTHZBVLIRF-WMZOPIPTSA-N 404.492 0.733 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)n1 444591955 DKUKWXHTUUKSBS-UHFFFAOYSA-N 423.521 1.059 30 20 HCED CN1CCC2(CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 445264924 RIHJHAHQULUPQR-UHFFFAOYSA-N 404.492 0.650 30 20 HCED CN(C)C(=O)Cn1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)nn1 470212764 BSHVEQHETYYBBP-UHFFFAOYSA-N 401.858 0.854 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)C1=O 471473042 YEVUOXCFPNRKHP-MRXNPFEDSA-N 412.446 0.774 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCNC(=O)c3n[nH]c4ccccc34)CC2)c1C#N 472250609 IZTQAKSYGWHDTP-UHFFFAOYSA-N 420.477 0.945 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCCOCC 474349850 XPSQJKYRBFTSKV-UHFFFAOYSA-N 412.515 0.845 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2sccc2OC)c1=O 481579329 GLTBIFZUTFJVRC-UHFFFAOYSA-N 419.528 0.822 30 20 HCED CN1CCN(CCCN(C)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488272971 OSPUZRFYYOGUNX-FQEVSTJZSA-N 412.538 0.938 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)CC1 499904977 BXTKNJWLQLNAFK-CAUXOHIQSA-N 423.494 0.718 30 20 HCED CC1(C)CNC(=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502592323 FDAMRRFPZZGLPX-UHFFFAOYSA-N 412.450 0.665 30 20 HCED COCCn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 503732382 VKQICAJMFTZSPN-QGZVFWFLSA-N 403.464 0.875 30 20 HCED N#CCC1(O)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 506378393 PPNZUBCJYIMDMS-OAHLLOKOSA-N 408.436 0.625 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 531696640 GJYNPXGNZVEBHB-DGCLKSJQSA-N 404.414 0.978 30 20 HCED COC[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 533225077 VPFXCQLXZAUTJJ-LJQANCHMSA-N 423.491 0.903 30 20 HCED N#C[C@H]1CSCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 539330973 UOXBYNATNIEQPG-ZDUSSCGKSA-N 411.505 0.984 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1c[nH]nc1-c1ccccn1 543933941 ZVQRMXNMTXPXQZ-CYBMUJFWSA-N 417.433 0.809 30 20 HCED COC(=O)CCc1nnc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 546222446 PSKSJVLUZHGYLC-UHFFFAOYSA-N 401.452 1.264 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@@H]3C3CC3)n2)c(F)c1 551433132 IWPYMQHQVQRSRM-KBXCAEBGSA-N 410.409 0.995 30 20 HCED CN(Cc1ccccc1S(N)(=O)=O)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 551831086 PVLGCLNGQSNHCM-UHFFFAOYSA-N 418.479 0.754 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3cccc(F)c3)C(=O)C2)n1 552734047 ZCKUQDHWTVJKQM-UHFFFAOYSA-N 412.425 1.284 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)CC1 557766125 AYEMTSINLDTBOR-MWDXBVQZSA-N 421.494 0.095 30 20 HCED CCn1nccc1CN(CCO)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 558529476 KOKMAHDOIHIIDC-UHFFFAOYSA-N 408.422 0.315 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2F)CC1 566380644 ONFMGNLWCKITHW-UHFFFAOYSA-N 424.404 0.136 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1[N+](=O)[O-] 570442062 DBUJYQFPSFRTRO-UHFFFAOYSA-N 405.392 0.669 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccsc3)CC2)cc1 570487993 GOTLDKBWHPRQQU-UHFFFAOYSA-N 418.500 0.883 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)CC1 571110557 HQFNEWJWMWMFOU-MRXNPFEDSA-N 409.446 0.287 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC(N)=O)cc1C 575019777 UHXMJUUEWFNJJV-UHFFFAOYSA-N 418.478 0.793 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC(C)C 603989124 PWEHLFLGGOWSPT-UHFFFAOYSA-N 415.515 0.840 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 604430165 DAYFUFACVYIGII-AWEZNQCLSA-N 422.511 0.679 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCS(=O)CC3)nnc12 609158899 XQBZCJPKSMZYRJ-UHFFFAOYSA-N 417.516 0.913 30 20 HCED Cc1nc(=NC(=O)CN(C)S(=O)(=O)c2cccnc2)n(-c2ccc(C#N)cc2)[nH]1 610112464 LKQRFIYSAIKZQI-UHFFFAOYSA-N 411.447 0.524 30 20 HCED COCCN(CCC#N)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 612596237 AYWGKVPNXFAQSW-UHFFFAOYSA-N 416.438 0.961 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 680942226 RJUGNXUZRPIVDN-IBGZPJMESA-N 417.506 0.158 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(N)nc(Cl)c3)CC2)o1 728627187 TVWVWVFMCQKEHF-UHFFFAOYSA-N 404.814 0.991 30 20 HCED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732466265 LWXWTQZNKCAJKC-PVEMMZBWSA-N 413.500 0.016 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)CC3CC3)CC2)cc1 733702116 YRJBCFIOLSEVBR-UHFFFAOYSA-N 411.505 0.815 30 20 HCED CC(C)(CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(=O)OC(C)(C)C 740558242 NZKCRWNLEWEKRG-LBPRGKRZSA-N 401.485 0.646 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1nnn(C)c1C 744080587 XFEVZFZLXQKKPA-UHFFFAOYSA-N 410.390 0.660 30 20 HCED C#CCNC(=O)C1CCN(CN2CC3(CC2=O)CN(C(=O)OC(C)(C)C)C3)CC1 744432739 CKXZJJXSLKDBLO-UHFFFAOYSA-N 404.511 0.875 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@H](C)CC(=O)OC)CC1 746811781 SFEWGWCEMXMRTA-CQSZACIVSA-N 405.426 0.872 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 752120538 NCNZPDDFDPLCRB-YUNKPMOVSA-N 416.409 0.613 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1C1CC1 755664127 IOPIRNJZLZCXHH-UHFFFAOYSA-N 411.531 0.908 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 756760670 UNWMCVGMTFDIPZ-NWDGAFQWSA-N 405.436 0.529 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 756881038 CVDZAAUXZSMHDY-ZDUSSCGKSA-N 420.429 0.817 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc3ncccc3c2)c1=O 758076637 JJMVZYFKWSZAIY-UHFFFAOYSA-N 400.463 0.896 30 20 HCED C#CCOc1ccc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 765131058 IHGBKWUSCSMDEL-HNNXBMFYSA-N 404.444 0.907 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(=O)n(C)[nH]1 765409154 LYYAQLFQBZRHQW-LBPRGKRZSA-N 407.452 0.449 30 20 HCED C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(=O)(=O)C1CCOCC1 765786034 ZEFWTQZHHHZLTC-UONOGXRCSA-N 415.512 0.940 30 20 HCED N#Cc1cccc(OCC(=O)NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)c1 771371457 AQSFPZACNFPUFU-UHFFFAOYSA-N 423.834 0.960 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3c(F)cccc3F)o2)c(=O)n(C)c1=O 771890200 DZNZPRAAQGCTPE-UHFFFAOYSA-N 424.385 0.935 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCO[C@@H]2C[C@@H](N(C)C)CC[C@H]21)c1cc[nH]n1 772436718 VQBMKGTWPSBTAV-NUEKZKHPSA-N 407.471 0.404 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)CC1 773327501 CFMZVWWRMSLFJF-KRWDZBQOSA-N 401.385 0.622 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 775806878 OFOJJHRBWCQHJG-QZTJIDSGSA-N 409.483 0.429 30 20 HCED N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 780886569 AUDXEAYJSBEZNN-UHFFFAOYSA-N 422.488 0.453 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786553263 TVXMKCMAISXFBY-DBDQLMEASA-N 409.442 0.873 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(CN2CCCC2=O)cc1 787425730 KQPFMLWMYVPEPM-UHFFFAOYSA-N 420.473 0.920 30 20 HCED Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787776310 DXPALEFWUNSEDZ-CVEARBPZSA-N 411.466 0.187 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 789332136 LVUABBJNPFGIPB-RTBURBONSA-N 422.551 0.533 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 789808661 ANYVTJUIHVOJNN-OAHLLOKOSA-N 423.466 0.803 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 798037061 VJAXGBSRIWKDPG-OCCSQVGLSA-N 420.543 0.994 30 20 HCED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 798248117 PFOBFNBWKKDMNV-HXUWFJFHSA-N 416.441 0.944 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 800629719 KWFSSANXFLVLFB-UHFFFAOYSA-N 408.414 0.752 30 20 HCED CC#CCS(=O)(=O)NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 810778230 QDTLTUMQCUGLQZ-UHFFFAOYSA-N 401.462 0.481 30 20 HCED C[C@H](CONC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 810817539 FAHSSIBNRWYHLW-GFCCVEGCSA-N 412.468 0.798 30 20 HCED C[C@@H](CC(=O)N(C)CCCN(C)CCN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 811543003 LUEGYGMAEZJLEU-INIZCTEOSA-N 423.583 0.846 30 20 HCED C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 812214707 RETPGVIPIKIBCI-KGLIPLIRSA-N 417.557 0.171 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccsc1 814251565 KCSCNXNKVVNXKQ-UHFFFAOYSA-N 421.454 0.671 30 20 HCED C=CCN(C(=O)c1cnn(C)c1I)[C@H]1CCS(=O)(=O)C1 815080915 YYSBXCBWCMCMFA-VIFPVBQESA-N 409.249 0.840 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](O)CC2)c1 815886764 IRJZPRVHCMMPMZ-OSGFXRFRSA-N 422.507 0.811 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 816774343 UQBVGVWZEVPDIU-SJLPKXTDSA-N 402.476 0.982 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)c3ccco3)CC2)o1 915374339 RQAXFHRDHWWECY-UHFFFAOYSA-N 415.406 0.460 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOC 917768604 IXYXRHBVBNVPFR-UHFFFAOYSA-N 415.471 0.314 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OCC(N)=O)c2)cn1 1298819447 WJMYCQLXUNEDQN-QGZVFWFLSA-N 422.449 0.320 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1302457076 KSQPZWYIGIRSCS-KRWDZBQOSA-N 416.507 0.382 30 20 HCED COc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1CC(=O)O 1320306889 JTOLMBJJDFHVLY-UHFFFAOYSA-N 411.480 0.559 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1452242135 FLXGPHKQSDXXMP-OAHLLOKOSA-N 416.297 0.995 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 1616457962 ZTCIUAJMUFBCJM-SFHVURJKSA-N 403.479 0.884 30 20 HCED 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412.446 0.555 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839617933 BCXUFWVBPDKNJY-LJQANCHMSA-N 401.398 0.457 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839711700 FTRQSUPRPQNIMH-IEBWSBKVSA-N 410.540 0.602 30 20 HCED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839827817 NTEVTXRNGJWBRL-QFIPXVFZSA-N 413.474 0.926 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1839846248 MPDPWQDFMLXLNU-HNAYVOBHSA-N 412.556 0.139 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)C(F)(F)F 1839880928 GSLDRNJYKWGSHS-LRDDRELGSA-N 407.389 0.086 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)C2)C1 1840840985 XDVBYUKKIYURAZ-LLGFUMIMSA-N 406.479 0.446 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314594 YYPZRIXLFJUFLL-AAWXNRKFSA-N 419.434 0.397 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)C1 1847747723 ZROMHNCMWIWDKW-XLAORIBOSA-N 417.506 0.829 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 50698702 SJQPAHCWDQNWEU-INIZCTEOSA-N 406.508 0.944 30 20 HCED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410134536 AQWJKNOXXRRDMD-PBHICJAKSA-N 403.468 0.680 30 20 HCED N#CCCn1ncc(C(=O)NCCN2CCS(=O)(=O)CC2)c1-c1ccccc1 429590663 HTQLXNYLSODDGR-UHFFFAOYSA-N 401.492 0.924 30 20 HCED Cc1c(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cnc2c1c(=O)n(C)c(=O)n2C 439556269 KISIMHVBSTWVOE-GFCCVEGCSA-N 407.434 0.749 30 20 HCED CNC(=O)C(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 448348363 JZGIHCGLLUGVIG-UHFFFAOYSA-N 407.496 0.346 30 20 HCED Cn1nccc1NC(=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 448506856 YJBBDRUCLDQCDO-UHFFFAOYSA-N 410.413 0.886 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 464945331 DKCFDTKFOBOPJS-CQSZACIVSA-N 409.516 0.240 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 465182646 GNZBQFCTOCHKJF-BZUAXINKSA-N 410.478 0.951 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 476280445 CQFQGCIKBJAXJD-RBUKOAKNSA-N 400.479 0.201 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)n1 476996310 ARXCUTMHOZFARW-UHFFFAOYSA-N 414.487 0.304 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 478143365 IZFGKSLQVUNIJZ-UHFFFAOYSA-N 424.523 0.747 30 20 HCED C=CCOC[C@@H](NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481764117 GDRLTLNGSYWOPJ-CYBMUJFWSA-N 418.493 0.243 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 486484864 IANGFIDUZQLFKN-KURKYZTESA-N 413.478 0.594 30 20 HCED Cn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccccn2)c1=O 488078175 UAKWNCFJFZMMFQ-UHFFFAOYSA-N 408.405 0.898 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2=O)cc1 488258961 UELLBKLITJQTLE-IBGZPJMESA-N 424.505 0.265 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)Cc3ccc(O)cc3)C2=O)cc1 490266837 DBLXAWHTZAALRR-LJQANCHMSA-N 406.442 0.840 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)ccc2OC(C)C)CC1 491171923 OEVFZZFZLBHWTJ-UHFFFAOYSA-N 418.494 0.867 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)CNc3ccc(C#N)cn3)c2)CC1 497645677 LERFVPLVSONOEE-UHFFFAOYSA-N 414.491 0.940 30 20 HCED CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 500495306 IBBMONLWNBBKCZ-HNNXBMFYSA-N 407.496 0.474 30 20 HCED CN(C)c1ncc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505153206 RBEFSLOVCXCOEI-MRXNPFEDSA-N 407.434 0.665 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 508658228 ALNGQCRWTHXHHX-KRWDZBQOSA-N 420.535 0.785 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 511110536 UWSVPOQJTRXZJP-INIZCTEOSA-N 405.524 0.027 30 20 HCED C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512999831 QQYDRNQHUPXCIW-ZDUSSCGKSA-N 400.414 0.658 30 20 HCED CNC(=O)CN1CCC(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 513992319 PMXJKOVCIHZARZ-SPLOXXLWSA-N 410.478 0.252 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 517180676 ZROZDNLHGFOYPP-UHFFFAOYSA-N 423.454 0.902 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)C1=O 519106001 LLPLYIIZDDGJQO-UHFFFAOYSA-N 416.409 0.523 30 20 HCED COC(=O)c1c(F)cccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 525848252 MCWJXIIOQLPLPC-UHFFFAOYSA-N 402.386 0.819 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 530283245 FZEPBJUUJFRVBO-UHFFFAOYSA-N 419.482 0.405 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)F)c(F)c2)c1=O 533166486 LHBHKBDTEGINSN-UHFFFAOYSA-N 409.389 0.969 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 536261938 DAEKFXITWYCPGW-CXAGYDPISA-N 423.491 0.700 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O 542097871 GKHOAFUUYSOHOJ-SJKOYZFVSA-N 416.434 0.896 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)n2)c(F)c1 542995544 NOUHNYZHVPKLFB-UHFFFAOYSA-N 410.409 0.902 30 20 HCED N#Cc1ccsc1N1CC[C@H](Nc2cnn(CC(=O)N3CCOCC3)c2)C1=O 546535855 WKNJGQOFHOBRRR-HNNXBMFYSA-N 400.464 0.892 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 552761232 LGELRIZBMSCQAU-RTBURBONSA-N 416.522 0.692 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1 554459264 KUWACXUSOVBLIQ-YJBOKZPZSA-N 410.478 1.149 30 20 HCED COC[C@H](C)CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 557000765 JTDZPMHXGNDVKO-CYBMUJFWSA-N 401.423 0.854 30 20 HCED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)o1 561477518 PUIMRCKWCMRTIM-AWEZNQCLSA-N 417.509 0.051 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(N3CCCCC3=O)CC2)c1 564616848 GXDJYMKCPXXMEW-UHFFFAOYSA-N 404.492 0.840 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 572559919 LFVWEHBDXOTCTB-AWEZNQCLSA-N 406.464 0.532 30 20 HCED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc[nH]n1 574441811 CLCMQAOUWBZWJH-HNNXBMFYSA-N 418.479 0.729 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 608828700 IQJIUOFPXQZQIE-UHFFFAOYSA-N 420.450 0.396 30 20 HCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1 608911330 BGXYZRISMVFLNI-UHFFFAOYSA-N 416.528 0.145 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 609202335 BXOJNOGYCHYOPQ-UHFFFAOYSA-N 421.505 0.797 30 20 HCED COC(=O)[C@H](COC(C)C)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 610835361 JFYUYYFIIHNJAO-INIZCTEOSA-N 411.480 0.917 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1Cl 619826321 QGXHZYFNTOQBFA-UHFFFAOYSA-N 417.853 0.714 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)NC3CCN(CC#N)CC3)n[nH]c2n1 730554194 YTAKKLRKQKMJBQ-UHFFFAOYSA-N 418.531 0.001 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795346 CIZITHZKFGYWKU-UHFFFAOYSA-N 415.519 0.459 30 20 HCED Cn1cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c(=O)n(C)c1=O 735034342 OTHOTGWCSCFDAF-UHFFFAOYSA-N 407.434 0.086 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)cn1 743729049 VTPZPMVVPMQSLA-UHFFFAOYSA-N 417.535 0.436 30 20 HCED C#CCCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 744364597 RHMSVYFNEZYIOV-UHFFFAOYSA-N 418.563 0.469 30 20 HCED CC(C)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 744618022 RMDMBGRUGNBUHA-UHFFFAOYSA-N 422.507 0.369 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cn1 746376342 DGZQKXWFQADKBG-UHFFFAOYSA-N 416.463 0.268 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)CC1 746499645 NVQRLSWWXSADFK-UHFFFAOYSA-N 422.533 0.940 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCS(=O)(=O)C1 754804213 XWHSBPIHRRESPX-ZDUSSCGKSA-N 413.521 0.589 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(CCC#N)n1 755546545 MGTLSXQLHLCXNF-KGLIPLIRSA-N 415.454 0.919 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cncc(I)c1 756987764 SDYMAYZPQAPKMY-OWBHPGMISA-N 412.187 0.942 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 758478072 LAQREFNNQVKKCW-CRQJOFGKSA-N 418.454 0.571 30 20 HCED 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CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](C)(C(N)=O)C1 794364266 YAMMZIKIWVBIJW-IFXJQAMLSA-N 406.508 0.864 30 20 HCED CCOC(=O)Cc1cccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 795829172 MDHVZCIFPFMEJF-ZCXUNETKSA-N 407.448 0.597 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)C[C@@H](CC#N)c2ccccc2)CC1 795984010 RAKDGWVUMUXRTJ-GOSISDBHSA-N 400.479 0.850 30 20 HCED C=CCN1CC[C@H](OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1=O 798565385 ZRRMIPBZTGODHG-INIZCTEOSA-N 412.439 0.790 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 803648486 XISVXVOAPKEXFB-IBGZPJMESA-N 423.491 0.885 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cc1 804053329 IVRXNPBUCMGMPS-VQTJNVASSA-N 411.506 0.182 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 807303017 BJMZZPISFDODNV-ZDUSSCGKSA-N 421.397 0.576 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCCO1 808620303 XKXIKQQRVKBDKE-HRCADAONSA-N 407.829 0.998 30 20 HCED 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0.864 30 20 HCED C[C@H](CC(=O)N[C@H](C)C(=O)NCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1322092818 LZAYRUOLIDSDCV-NXEZZACHSA-N 420.413 0.687 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N(C)Cc1cnn(C)c1 1340948517 LHEQIRMNWCLDKD-UHFFFAOYSA-N 416.467 0.087 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)C1 1519531082 RFOMNOLFDKJAFC-HZPDHXFCSA-N 408.528 0.803 30 20 HCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1555818391 YBXHAYMUJSPUBM-IBGZPJMESA-N 416.507 0.983 30 20 HCED CNC(=O)CN1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 1596936607 OTMGELVUFCJYEO-UHFFFAOYSA-N 409.284 0.980 30 20 HCED CC[C@H]1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1C(=O)OC(C)(C)C 1641034251 WWKJJZYTIAQIFN-KGLIPLIRSA-N 405.455 0.972 30 20 HCED CC(C)O[C@@]1(CS(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOC1 1654615806 OKANWIGXZAOVHG-YJBOKZPZSA-N 409.512 0.773 30 20 HCED N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 1663715673 SFFXFQDEQNUBJH-UHFFFAOYSA-N 424.479 0.856 30 20 HCED 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CBMFGGGCNRRBOI-FUHWJXTLSA-N 411.528 0.079 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1832454614 SOSATNGGEMNAMF-IBGZPJMESA-N 407.492 0.309 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)on1 1832563136 FGPPPPIMPCAZQR-HKUYNNGSSA-N 411.524 0.936 30 20 HCED COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1832826250 KVRXTDNDXKIVQH-QRWLVFNGSA-N 423.535 0.798 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnco3)CC2)CC1 1833074326 KHXZFOCJJBXWAO-ARJAWSKDSA-N 415.494 0.718 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1833478184 PJMAAAHSOPOMFB-CQSZACIVSA-N 405.499 0.892 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833704862 DHYJEEOUKWDCCD-HNNXBMFYSA-N 410.584 0.989 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834303490 MTCPVQOGAXRSEK-JOCHJYFZSA-N 406.442 0.598 30 20 HCED Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834314734 KPOTYDBIGRJLRR-HXUWFJFHSA-N 419.482 0.335 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834368058 JHEKXKZHKXUJGQ-HNAYVOBHSA-N 408.455 0.854 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634501 WGJDIOCLOWHMGM-UHFFFAOYSA-N 422.526 0.156 30 20 HCED CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCO1 1836271986 HOCRRUVCCWCBDP-XWRADEMYSA-N 420.510 0.609 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837703055 UEAXJJGYEFMVHJ-DYESRHJHSA-N 405.495 0.327 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1838639815 NFSHNOGQUVLGDM-INIZCTEOSA-N 423.510 0.629 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1839223649 BWJUMKQMKKEJQQ-KXBFYZLASA-N 405.455 0.348 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1839225356 HCTVKCUUPHITNO-AXVVYFOYSA-N 411.499 0.811 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccccc3[N+](=O)[O-])C2)C1 1839810970 ZFGSSLIYIVBNSO-IBGZPJMESA-N 419.459 0.777 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1839886527 FFAOJJAWDKMONE-QAPCUYQASA-N 417.453 0.569 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839890240 QEDAXPGYVAYFHG-KRWDZBQOSA-N 403.426 0.180 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(F)CCCC=C3F)C2)C1 1840044970 KEKNOJQZKMFLKC-RBUKOAKNSA-N 412.389 0.276 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840165927 OBXMBAZPAYDPHW-BEFAXECRSA-N 410.540 0.354 30 20 HCED Cc1ncc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)s1 1840397912 MALPDCQKYJXOTI-FQEVSTJZSA-N 403.504 0.864 30 20 HCED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813328 SOTKMYHDNUVKOV-LAUBAEHRSA-N 415.494 0.669 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840842793 AZWUZMLPFAUXQW-JOCHJYFZSA-N 423.473 0.955 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1841601044 FRXKXMXUNMVIRH-HOTGVXAUSA-N 423.510 0.504 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CCN2CCN(C)CC2)C1 1842828613 GVSIOUSZFJPHKF-UHFFFAOYSA-N 406.527 0.337 30 20 HCED CC1=NN(c2ccc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cc2)C(=O)C1 1844961097 DFINAHGYDZRPNF-UHFFFAOYSA-N 408.414 0.704 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncon1)C2 1847068296 AEXZVVPRJMJBSW-ZDUSSCGKSA-N 403.439 0.803 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 10093577 YABPWPMOJJWFIK-UHFFFAOYSA-N 405.886 0.627 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 30666521 XQTVPTNWOYQPEB-HZPDHXFCSA-N 422.507 0.435 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1 65734272 CBOWCHVXGBUZLH-UHFFFAOYSA-N 406.468 0.425 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 409545317 PEAUVAWSVVCKFJ-UHFFFAOYSA-N 405.502 0.078 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 409599228 WURDJGDZYPNDAS-AWEZNQCLSA-N 407.496 0.075 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 409599231 WURDJGDZYPNDAS-CQSZACIVSA-N 407.496 0.075 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 428232055 YEMXFVBELJXHOS-UHFFFAOYSA-N 416.488 0.529 30 20 HCED COCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432853610 KPHLJNSQVVVULV-UHFFFAOYSA-N 402.270 0.800 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)C2)nc1 432961044 QVJNPHDCSAQSRS-KRWDZBQOSA-N 411.466 1.167 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC(C)(C)C#N 433322850 ZFWSQODVLJOZKF-UHFFFAOYSA-N 423.495 0.909 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)C1=O 440283375 OWMXIHZHPOBGIB-INIZCTEOSA-N 402.499 0.724 30 20 HCED Cc1cc(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)nc(C(C)C)n1 444506479 OGVUGZWOASKPSA-UHFFFAOYSA-N 410.482 1.306 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 447202101 KJTJAJVRYKKOEX-USJZOSNVSA-N 422.441 0.819 30 20 HCED N#Cc1cccc(NC(=O)CS(=O)(=O)c2nnc(N3CCOCC3)n2C2CC2)c1 447491662 LJNZIWNZZIQYNI-UHFFFAOYSA-N 416.463 0.734 30 20 HCED C=C(C)Cn1c(Nc2c(C)nn(C)c2C)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 460800886 FZXVFVYKFBFOPJ-AWEZNQCLSA-N 409.516 1.281 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 465423654 NMEFIGOFUVBEEZ-KGLIPLIRSA-N 408.480 0.730 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)CCCN(C)C 476745292 LAQFJLYEWBAGLS-AWEZNQCLSA-N 409.512 0.146 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 482193099 NQUDIEBCRNDQGF-XQQFMLRXSA-N 401.510 0.505 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1 495897416 VMFIAUVHPMKIPL-UHFFFAOYSA-N 401.510 0.305 30 20 HCED CC(C)(CCC#N)CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 497829561 UQMMJHKJZWMURK-UHFFFAOYSA-N 401.533 0.657 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC1 499348569 KDPFNYKEWNYHDQ-ZDUSSCGKSA-N 413.521 0.603 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 502407773 ATLITYOECZRRDG-UHFFFAOYSA-N 424.523 0.299 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 505354865 AAQAGBGRTUBSCT-ZIAGYGMSSA-N 410.471 0.809 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCC2(OCCO)CCOCC2)c1 506563017 RRTUVWBOLZJTFO-GOSISDBHSA-N 401.463 0.724 30 20 HCED N#C[C@@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@@]12C(=O)Nc1ccccc12 511514441 MCBCHFLLQQKLOQ-VCDRJREASA-N 422.445 0.562 30 20 HCED COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511903188 ZUCMIABCQGTTAJ-MRXNPFEDSA-N 407.858 0.521 30 20 HCED COCCN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513023239 GARAMVLJQMNLER-UHFFFAOYSA-N 402.430 0.858 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)n1 513170450 HZXKIHBARMUNEH-HXUWFJFHSA-N 410.409 0.950 30 20 HCED N#CCCN(C(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 533382908 RJVIUCQCIVJHBB-ZWKOTPCHSA-N 406.508 0.021 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](O)C1 533865099 HPDAFMMECHHDHI-ZNDPDKIASA-N 420.558 0.074 30 20 HCED COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 538268083 AXXRVFUIPDTRHD-CVEARBPZSA-N 406.508 0.721 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(-n2ncc(C(=O)OCC)c2C)c1 540748650 LWMRAVYTRIRHCW-UHFFFAOYSA-N 413.434 0.714 30 20 HCED Cc1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1S(=O)(=O)NCC#N 548643885 PXRVMOBZWAWGFQ-UHFFFAOYSA-N 404.492 0.928 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CN3CCCCC3)CC2)c1C#N 550693392 MDSMFRNPRKQVDG-HNNXBMFYSA-N 401.515 0.239 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)C2=O)cc1 550892149 PMODZNZOCYMJLQ-QAPCUYQASA-N 406.446 0.567 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC(=O)N1C 554158499 KBZHVYMENNYLPT-HIFRSBDPSA-N 401.442 0.471 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 557747808 BSXMTPDLTLNPFG-UHFFFAOYSA-N 404.474 0.951 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 559553406 UQISATBCTKMSCX-SFHVURJKSA-N 414.510 0.075 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1 564759069 LXVMXKDFAQQYNX-YMGMXPECSA-N 402.520 0.640 30 20 HCED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@@H]2CCOC2)cc1 569817177 PLOGWMZJXCMIMO-DOTOQJQBSA-N 421.461 0.000 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 574213483 UZRIMRDJCZQHFD-INMHGKMJSA-N 415.469 0.813 30 20 HCED CC[C@H](NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)C(=O)N1CCOCC1 578158241 ZJOKKESZAMXKFW-INIZCTEOSA-N 413.478 0.219 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 587647529 IUIZURCHEQISKK-QGZVFWFLSA-N 410.478 0.284 30 20 HCED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 589433228 KAULBPZOWCMCAV-UHFFFAOYSA-N 406.493 0.345 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2)c1=O 590897831 PRQKOZPDVMOKCG-ZDUSSCGKSA-N 401.463 0.889 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1 605430097 IRVUQQQRBFHHJW-QGZVFWFLSA-N 415.538 0.931 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 609101313 MIWMWXIMKRWDRD-HXUWFJFHSA-N 411.506 0.530 30 20 HCED Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)NCC#N 609411821 XSTJKCOHAVBVHT-UHFFFAOYSA-N 408.461 0.697 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cn2)c1 610748142 MFFBLJPYIUMXPU-CVEARBPZSA-N 409.402 0.833 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2F)C1=O 726043430 UGQJIRQQHJTFDW-SNVBAGLBSA-N 420.353 0.382 30 20 HCED COC(=O)NCCC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 730922030 JSPRYUXQRPSZPC-HNNXBMFYSA-N 403.395 0.698 30 20 HCED CS(=O)(=O)CCCC(=O)[C@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 731288341 QDKOMJYCYLSVCZ-JTQLQIEISA-N 411.392 0.838 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 731861247 RHLGJCWEMVQOJC-ATDDHBJVSA-N 404.373 0.960 30 20 HCED N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 732702451 SUHYAUICZWKSTF-HNNXBMFYSA-N 422.467 0.255 30 20 HCED N#C[C@H](C(=O)CCCn1c(=O)oc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 732909704 FTFZFWVLDUZNDI-CYBMUJFWSA-N 405.432 0.341 30 20 HCED C#CCN1CCC(C(=O)NC[C@@H](NC(=O)C2CCN(CC#C)CC2)C(C)C)CC1 733893420 VOXISVIXZIJHFZ-OAQYLSRUSA-N 400.567 0.934 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2csc(N(C(C)=O)C3CC3)n2)C1=O 734187361 GYQWOHMEKCGNDQ-UHFFFAOYSA-N 406.420 0.678 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(I)c[nH]2)CC1 734435833 MSLGSTNDDDUSCG-UHFFFAOYSA-N 414.247 0.517 30 20 HCED O=C(CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)Nc1ccccc1 735842957 PWYXXPOCBCIXGW-QZQOTICOSA-N 411.462 0.686 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCOC 742144088 TZEHAGPXWUXDJF-UHFFFAOYSA-N 413.499 0.508 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 743196817 YBUJKQVFJYYWTH-UHFFFAOYSA-N 418.425 0.373 30 20 HCED C#CCCN1CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 744245550 ZHDDWHOZJDYUQE-UHFFFAOYSA-N 417.528 0.417 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)ON=C(N)c2ccc(N3CCC(O)CC3)cc2)CC1 749789831 DENXOUHZSMZCBB-OAHLLOKOSA-N 417.510 0.364 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 752394085 KYTYYQNACGCNPK-UHFFFAOYSA-N 411.440 0.121 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCOC 753359327 OUCVXORYBMWUOY-LBPRGKRZSA-N 417.487 0.789 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@H](C#N)C1 754389046 MIXNQOYNGQXMAC-GFISCPRKSA-N 414.462 0.765 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cccc(S(C)(=O)=O)c1 756908484 CWYNVFMUCLFFOU-CQSZACIVSA-N 414.491 0.901 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 758054592 LTFQCFLAMFEXKB-UHFFFAOYSA-N 423.494 0.134 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(COC)c2)c1=O 758059900 VXXZKSPYGXLNQD-UHFFFAOYSA-N 407.495 0.815 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758061089 SXNBPWFSKJTHHI-UHFFFAOYSA-N 420.494 0.699 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 758301483 RARLDNXRHIMPEE-HIFRSBDPSA-N 423.495 0.892 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758769048 OVPOTTZNROXDEE-LSDHHAIUSA-N 408.503 0.161 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2c(=O)nc(O)c3ccccc32)C1 758771303 NRPMWKCUSWNLKB-GXTWGEPZSA-N 413.434 0.977 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(OC(C)C)c2)CC1 761032834 OEKMNGHTVLFZIP-UHFFFAOYSA-N 408.524 0.175 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 761036497 HBMGCFXISOFNPL-ICSRJNTNSA-N 407.536 0.527 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cccc(C)c1 763437257 UXIGSIUGAWIVDG-UHFFFAOYSA-N 422.510 0.812 30 20 HCED C#CCOCCC(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 764750346 SEBKSIJXLOWNPI-UHFFFAOYSA-N 408.476 0.784 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 766599233 AQACVSKRURDUHI-MRXNPFEDSA-N 417.441 0.432 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(CN2CCOCC2)n1 767952329 GSANUGKKLMAADB-UHFFFAOYSA-N 415.475 0.591 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OC2CCN(CC#N)CC2)c1 770780232 FTCNQXZZXGJFAG-UHFFFAOYSA-N 410.496 0.410 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1 774011759 GLTDXAUKGWIYRL-HRCADAONSA-N 405.451 0.788 30 20 HCED C#C[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 774298550 YQIYUDNZGVBGNK-JOGDVMMXSA-N 408.505 0.292 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(=O)NC)C1 782090176 UMXJMGPYNICAGL-LSDHHAIUSA-N 422.507 0.257 30 20 HCED N#CC1(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 784210625 YJOUSVIBROAWIF-UHFFFAOYSA-N 410.408 0.369 30 20 HCED N#C[C@@H](C(=O)NCc1ccc(F)cc1F)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 786563272 TXSBOIMUJWGBOD-CQSZACIVSA-N 420.397 0.787 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCC=CO2)CC1 787029581 YSNXGLLSDJJQAI-INIZCTEOSA-N 419.459 0.627 30 20 HCED C[C@H](OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 787610847 GZUKJQMSJRPDHK-LBPRGKRZSA-N 404.448 0.561 30 20 HCED C#CCC1(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 788212188 FNSDXIBOURASHR-QGZVFWFLSA-N 410.536 0.835 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Br)nc2OC)CC1 789561122 PPXZQCWRSIWMHX-UHFFFAOYSA-N 423.267 0.779 30 20 HCED COC(=O)Cc1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 791048180 TVMGBTLQMINZEZ-UHFFFAOYSA-N 402.432 0.864 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)N3CCC4(CC3)OCCO4)C2=O)cc1 792783282 AYYDNOZDSLGECT-KRWDZBQOSA-N 420.491 0.332 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C)c(Br)n1)[C@H]1CCS(=O)(=O)C1 793043335 TYHBLPQLLZEPRY-NSHDSACASA-N 414.281 0.740 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1=O 798654096 RZENUZUTJMPICU-KBMXLJTQSA-N 412.439 0.280 30 20 HCED N#CCNC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 804821655 XNMCDXAZWZRHKL-LBPRGKRZSA-N 414.871 0.167 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2COc3ccccc3[C@@H]2O)cn1 808970165 KJUFNHDDQWUSDK-RDJZCZTQSA-N 404.386 0.688 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)[C@H]1CCCO1 809305180 ZAPJEUBXTPEHQK-SLFFLAALSA-N 424.501 0.233 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)c(C(F)F)n1 812277474 VZHPSTNBGFZIDX-SNVBAGLBSA-N 408.430 0.617 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)nn1 812966833 YCHNKLUOVRQOHL-INIZCTEOSA-N 423.433 0.191 30 20 HCED Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nnn1-c1ccn(C)n1 815754934 HFCWJBPYVCHWLO-ZDUSSCGKSA-N 400.443 0.894 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)ccc1F 818148739 RSXVVTMIYLTBJW-OAHLLOKOSA-N 423.470 0.851 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC(N)=O)c1 918581588 NOTVINGWFSCRRW-CQSZACIVSA-N 418.479 0.460 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 918827617 ZCFMZSIEOYKJSL-CYBMUJFWSA-N 409.464 0.719 30 20 HCED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1137269006 YGEWLLUARQZXTA-MSOLQXFVSA-N 411.462 0.616 30 20 HCED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1211936984 PIFKIYFFFJJQHE-UHFFFAOYSA-N 404.489 0.555 30 20 HCED Cc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1289889765 JSCPGNKBYBTQAL-SJORKVTESA-N 423.477 0.696 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1 1298879235 NROYHSJBJGMOFN-JTSKRJEESA-N 423.521 0.975 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CCO1 1315013952 SPWVBHDXUHUEGM-INIZCTEOSA-N 411.466 0.293 30 20 HCED COCCOc1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nn1 1324340594 PAWDOVLLVLKJNF-UHFFFAOYSA-N 404.448 0.605 30 20 HCED Cn1ccnc1C(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1nccn1C 1453600624 GJSIWLWCXUPGCS-UHFFFAOYSA-N 412.475 0.846 30 20 HCED Cc1ccc(NC(=O)[C@@H](C)N2CC(O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1559779877 LFGMPCXZUOHEOR-OAHLLOKOSA-N 422.507 0.303 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1616924081 MRGXZGBACHINGC-IAGOWNOFSA-N 422.555 0.958 30 20 HCED CNS(=O)(=O)c1cccc(Cn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)c1 1618838221 NVBYWKLPAOHWIQ-HNNXBMFYSA-N 402.480 0.841 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN1CC(F)F 1641495697 NCBFDQZXNVIAAZ-GFCCVEGCSA-N 400.451 0.961 30 20 HCED N#CCCN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1643821954 IPZUUFRALOXULT-UHFFFAOYSA-N 407.427 0.854 30 20 HCED CN1CCN(CCC(C)(C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1648727662 JFKGXVWFMGSTCA-UHFFFAOYSA-N 407.540 0.369 30 20 HCED CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1710976938 NDYBXXGPNIYAPH-UHFFFAOYSA-N 416.507 0.920 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)CCOC 1744097101 OAOSEGMUSYZLHB-KXBFYZLASA-N 408.503 0.713 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1767844737 PMVULBNKBNTDHE-MRXNPFEDSA-N 420.495 0.218 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCOCC2)CCO1 1770751740 LXQIGZCNASOBJL-KRWDZBQOSA-N 411.466 0.242 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1779106970 QORGAGDLVBGJJZ-GXFGLMHLSA-N 423.510 0.896 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779387451 UFFMGSWMOSSWOT-SFHVURJKSA-N 421.410 0.271 30 20 HCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cnc(O)[nH]4)C3)C2)ccc1F 1779646681 ZTACBMSSGPLYBR-HXUWFJFHSA-N 413.409 0.812 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779696983 KJHKVRNXDYMACR-UCMVZMLTSA-N 408.480 0.621 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780396941 SRAZPXRFDMKULE-CYGOOPLXSA-N 422.438 0.139 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697526 KBRBDSFADWIHIU-HRAATJIYSA-N 408.462 0.930 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781862300 ZBZNZILUCOUVEA-UZLBHIALSA-N 409.483 0.463 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ccccn3n1)C2 1782009987 CBGTZGIEIBUGLE-DYESRHJHSA-N 410.430 0.550 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn(C(F)F)n1)C2 1782013507 POQGEXQBKGVILJ-FZKQIMNGSA-N 410.377 0.494 30 20 HCED Cc1nccn1CC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1782772990 BVMNFBJRMARTSX-FQEVSTJZSA-N 402.499 0.303 30 20 HCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(N)=O)C[C@@H]32)cc1 1783443778 HQWJRTCSIFBUGA-FHWLQOOXSA-N 412.490 0.736 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4ncnn4c3)C[C@@H]21 1784385210 IKMKBBGRFURXQZ-FHWLQOOXSA-N 407.474 0.665 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ccccc3n(C)c1=O)CCO2 1785421842 APAWITPIYNIAPH-QFIPXVFZSA-N 408.458 0.790 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ncc[nH]1 1785782648 IJHASVWNYGDYFO-RVUUGJEPSA-N 405.455 0.532 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370347 PGNUCNZHQZYHRC-FZKCQIBNSA-N 424.498 0.155 30 20 HCED CN1CCCn2nc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)cc2C1 1786705817 GXKYQARNCZQMCX-IEZWGBDMSA-N 414.510 0.616 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cscn3)[C@H]2C1 1787038187 BFTORILPNZVFCQ-XIRDDKMYSA-N 419.551 0.947 30 20 HCED CCC[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)n1cccc1 1787464773 XLXHFIMFHGTNSN-XSLAGTTESA-N 401.463 0.897 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C(\C)NC(C)=O)C[C@@H]21 1788576116 XQTYANKFEKVRBV-XRKPVXDGSA-N 407.511 0.579 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnc(O)[nH]1 1788957215 YJKYOQLDLSEOCW-DALGOHPFSA-N 421.454 0.238 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789295598 KJHCHYJNAITPBF-HOSILWTGSA-N 405.455 0.164 30 20 HCED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1791440644 ZWLVHHPYAQNJPY-JYJNAYRXSA-N 402.499 0.493 30 20 HCED COC(=O)CSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CCC3)[C@H]2C1 1792139160 RPYDPVBQMOSFAG-KKUMJFAQSA-N 409.508 0.566 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)C1 1792440232 BEIFYQRPLRZPTB-YWVIFJGQSA-N 420.491 0.008 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C3)C1 1792440428 ZHLCSAGMPBXKAI-YVSFHVDLSA-N 423.510 0.428 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccnc1C)C2 1792491289 HPKRMPAPMWECBR-YKWNZRNQSA-N 415.494 0.201 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)NCC)C2 1792566082 PDBQMYXEEHGCBP-KTILCMFKSA-N 405.499 0.191 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1792629726 ONDMJIAIPPBBNX-SCAQPMJSSA-N 419.503 0.843 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 1792968351 JPUIXUBJDWXZPX-BQULAQKPSA-N 422.522 0.738 30 20 HCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1795421671 SNFSBDGBQFBPSY-FVCICTRLSA-N 415.475 0.633 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]1(F)Cl)C2 1795602363 LDYUWRFYVOCVCI-VFYMHDEBSA-N 400.882 0.782 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nnsc1C1CC1 1796641948 XNNAJVCGYKTMAY-REBRKWNGSA-N 404.492 0.657 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(C)nc2ncccn12 1797004465 HYENPMZRPSLCCG-WCXIOVBPSA-N 411.462 0.279 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc3ncccn23)c1 1797029175 ZBVMDIGRCDLTLM-XOIINTDNSA-N 405.418 0.446 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@](C)(O)CC(=O)O)C2 1797652365 RBSUAPIRNDEJON-IHRQWHEESA-N 408.495 0.960 30 20 HCED CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797741926 HFOBUTNKHBQVPI-NBUKAXSHSA-N 412.556 0.206 30 20 HCED CN1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797835961 SPKMCVMOKNPDDP-LIAIKSKVSA-N 402.495 0.772 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1nc(N)n[nH]1 1798310326 RBBOQVCDFUSQOH-MUJYYYPQSA-N 423.477 0.908 30 20 HCED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccc(C#N)c2)nn1 1798860263 SVHXZMMZMMHMHD-HGKCTWBKSA-N 407.430 0.874 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C 1799396571 YOWVDSGARIQOLM-FWEDZOCSSA-N 410.515 0.682 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CSCSC1)C2 1800984985 OEFXMKVMMXADNR-XHJNMGKDSA-N 405.611 0.937 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[C@H]1CCOC1 1801578347 SBYMCWUMCFDYHP-BMFAXAFESA-N 406.527 0.675 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802672042 ARMGYMVZBKRPOP-HHXXYDBFSA-N 415.494 0.397 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)CNCP(=O)(O)O)CC2)C1 1806061027 VZPGABWHFHINAA-OAHLLOKOSA-N 421.500 0.897 30 20 HCED N#CCCC(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699782 QEQGHXUGGPTBDA-UHFFFAOYSA-N 410.540 0.252 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CC(F)(F)C(=O)O)sc2C1 1817095412 ABBGXWMUVKTFGQ-SSDOTTSWSA-N 401.347 0.253 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1819363559 HHSLIKQVABSKHX-QEJZJMRPSA-N 420.514 0.568 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CNC(=O)C2)n[nH]1 1821957548 KKAWXUUULSYNNL-UKRRQHHQSA-N 415.498 0.820 30 20 HCED NC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1827584197 VNGUALCBSDPFKV-OALUTQOASA-N 404.555 0.591 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1829717582 XBZOZDFIFRSTMA-OAQYLSRUSA-N 423.579 0.685 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](C)CC)CCO2 1831042447 CYHCMOUJOYTPBD-GFCSNGQLSA-N 407.511 0.737 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)[C@@H](O)C=C)C2)C1 1831411269 LWAIGYHBWLZXTF-AVRDEDQJSA-N 424.538 0.999 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1831428045 XZYNQHVRNMPGGR-YWZLYKJASA-N 407.442 0.882 30 20 HCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)no1 1832926028 KBKSOXARUYWENT-QFIPXVFZSA-N 424.457 0.429 30 20 HCED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cn1 1833127064 SVPMWSBTCHSGLA-OAQYLSRUSA-N 400.479 0.939 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CN4CCOC4=O)CC3)CC2)CC1 1833385136 CQPUEIPTSDWZMR-UHFFFAOYSA-N 403.483 0.314 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(CC)c3F)CCO2)C1 1833734576 VZRBRVXWGYHHMI-JLTOFOAXSA-N 424.473 0.772 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1834763800 ZCJMYLKCFGQMSH-QGZVFWFLSA-N 423.267 0.828 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1ccnn1 1835102877 OOWJQKMYBXPRJH-AVRDEDQJSA-N 423.473 0.347 30 20 HCED COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342789 QIQGFNDDFIBJJM-FQEVSTJZSA-N 400.435 0.464 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CNc5ccccc54)C3)C2)CC1 1835342833 SAVIGDLSYJDXEB-VGOFRKELSA-N 410.474 0.956 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348062 NSKINNGBLCEPBT-QRWLVFNGSA-N 401.467 0.513 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1835677388 HDGXUPIMFSDDCA-HXUWFJFHSA-N 403.483 0.367 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4ncccc34)CCO2)C1 1836467296 ZSSCIUPPHPJXNX-HXUWFJFHSA-N 412.450 0.349 30 20 HCED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)COC1 1837559886 CCNUEHYNARAYCS-SWHKHVPSSA-N 405.451 0.191 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1837663096 NZGGTJHXOFOAJE-HRAATJIYSA-N 424.542 0.028 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1ccccc1=O 1837680411 JTESTRGJEIDNES-KKSFZXQISA-N 416.478 0.415 30 20 HCED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n[nH]1 1839224962 ULBIANMJMLMXQI-QRWLVFNGSA-N 421.498 0.843 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4)C3)C2)cc1 1839362219 FCGFORLQCIQPTJ-QFIPXVFZSA-N 421.457 0.926 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840409905 KFRGUVPCQOJMQD-HXUWFJFHSA-N 402.451 0.115 30 20 HCED CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1840812372 NLCVWFKKLZAQII-QFIPXVFZSA-N 418.538 0.869 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815968 MBMNECZHBFTDQT-KKSFZXQISA-N 415.494 0.903 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(CC)CC3)CCO2)C1 1840927019 DZJWKCPKPLRXME-XMSQKQJNSA-N 423.554 0.766 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)C[C@@](C)(O)CC(=O)O)C3)c1 1844727136 LMKKTTSGLWGLHP-HXUWFJFHSA-N 415.446 1.000 30 20 HCED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1)c1ccc(O)cc1 1845067210 TZGJZRUEOSRIDC-IHPCNDPISA-N 411.502 0.815 30 20 HCED COc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c([N+](=O)[O-])cc1O 1846196091 KIGCWZUICHOEPS-UHFFFAOYSA-N 403.347 0.214 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1846996166 CLRPGRJVRUDTKL-UHFFFAOYSA-N 404.430 0.801 30 20 HCED N#CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 17997645 QMPGBGGYPSRLBC-UHFFFAOYSA-N 415.418 0.939 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)CN3CCOCC3)CC2)c(C#N)c1C 28177039 GALZYGVDQFSWIY-HNNXBMFYSA-N 403.483 0.572 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 63424097 BYMDFYRDNYJSOC-UHFFFAOYSA-N 419.441 0.927 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 303591904 OXRPQRXAQCODOX-RBUKOAKNSA-N 402.539 0.699 30 20 HCED CC(C)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)N(C)Cc1nnc2n1CCC2 410414630 QVXKNEGTQBCCMW-CJNGLKHVSA-N 411.532 0.133 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCCC3)c1=O 427314555 MLIDFAQOTNFTLO-UHFFFAOYSA-N 409.511 0.687 30 20 HCED C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 430231720 ZEJLKDGZZXMBEM-DGCLKSJQSA-N 414.853 1.448 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 430373550 ITSPBGKJYXMZSS-MJGOQNOKSA-N 406.527 0.241 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(F)c1 433908600 PZVMWOVAVOLIGS-CYBMUJFWSA-N 412.443 0.241 30 20 HCED C[C@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 438873338 BLSUVFLOQQIUOI-CQSZACIVSA-N 407.496 0.370 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)S(N)(=O)=O 439543757 RPKRJMXVGDZALS-CYBMUJFWSA-N 416.459 0.869 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)cc1 468027449 SGBNPCZFJJWKKU-UHFFFAOYSA-N 410.496 0.375 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 472110982 QYWXHGWZKUMLTJ-UHFFFAOYSA-N 407.452 0.395 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(OCC(=O)O)cc3)CC2)c1C#N 472347321 KHZZQMXNDQQRGP-UHFFFAOYSA-N 419.463 0.575 30 20 HCED CN(CC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 473447850 JQCAQRKUTNYAEA-LJQANCHMSA-N 417.491 0.686 30 20 HCED CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 476272132 JUHSKMHDPAAOHR-UONOGXRCSA-N 406.508 0.988 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)Cn3ccc(=O)n(C)c3=O)c(C#N)c2N)cc1 479665756 LAFLPWGSAIMNLB-UHFFFAOYSA-N 421.461 0.244 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)C2CC2)CC1 480794285 AMHHEDPTVSWWTG-ZDUSSCGKSA-N 404.492 0.742 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 488639487 GSDLZPJTOXEEHA-MRXNPFEDSA-N 407.496 0.788 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccn(CC(F)F)n3)C2=O)cc1 488669756 BEPKTTMVYSRHTN-CQSZACIVSA-N 416.388 0.876 30 20 HCED CC(C)[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCCS1(=O)=O 489188342 XTGFYIXTNZXIQL-MSOLQXFVSA-N 418.519 0.835 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)nc1 506417547 RIPPGVUFWVJSOI-UHFFFAOYSA-N 421.461 0.472 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)nc3)CC2)c1 511522608 IWINTMKCVWOGCK-UHFFFAOYSA-N 421.461 0.472 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)CC2)c1 511524007 LSRVSQOBHACJPR-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512461676 FHHWRRSQGRFOPM-MOPGFXCFSA-N 406.575 0.211 30 20 HCED CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O 513947103 SXJNPHOYVWOZBD-IUODEOHRSA-N 406.464 0.221 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 519149649 WJUZWOVHGZQXOW-UHFFFAOYSA-N 408.461 0.383 30 20 HCED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCC1 527135375 FJBIFLGCMQDQNS-UHFFFAOYSA-N 420.520 0.560 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC[C@H]3NS(C)(=O)=O)CC2)o1 527262544 OLOUEELNELSDMF-LSDHHAIUSA-N 409.512 0.905 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 531524013 BOWXGMACESFTDP-LBPRGKRZSA-N 417.369 0.978 30 20 HCED COCCNC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 533218869 VOJPEWPIWOGRSP-GOSISDBHSA-N 401.511 0.702 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)n1 538083578 OWMJGQGEQJAKSP-UHFFFAOYSA-N 410.482 0.737 30 20 HCED N#CCC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 541969115 GUDHYKHQJHAQOJ-UHFFFAOYSA-N 420.491 0.798 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)n2)c(Cl)c1 543930936 PVRKSROYTOKFQB-RISCZKNCSA-N 416.825 0.485 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 545180814 BJIUPHSLSXEWLJ-UHFFFAOYSA-N 418.460 0.896 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 547416622 NFESWZWBGWYESQ-LBPRGKRZSA-N 423.472 0.518 30 20 HCED COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H](C)C(N)=O 553615944 SJNNDADUTOGCEU-CRAIPNDOSA-N 405.474 0.357 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)CC1 554827260 BYCPNVHNDAZQLJ-OXJNMPFZSA-N 415.519 0.773 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 556389547 MLWVIEUVZINNTO-UHFFFAOYSA-N 422.445 0.495 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 566962322 VKRSJRGSLVOQHP-SFHVURJKSA-N 414.510 0.075 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H]2c2ccccc2)CC1 568434386 XFRDCYKXELRVIJ-PKOBYXMFSA-N 400.479 0.079 30 20 HCED Cc1c(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cccc1S(=O)(=O)NC1CC1 568453626 CWMVOCSAXWWGGY-UHFFFAOYSA-N 416.463 1.123 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1 570862205 MVEZKZJNFBEQHB-INIZCTEOSA-N 406.508 0.454 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 571570810 CEFXWIBTQTVPII-UHFFFAOYSA-N 417.472 0.520 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 577612625 HKINSDKJSXFBOH-UHFFFAOYSA-N 424.460 0.864 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 582317068 ALJHAGSEEZNIBU-IRXDYDNUSA-N 410.584 0.671 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCc2ccc(OCCN3CCCC3)cc2)CC1 588127017 YQNCDYIRMLWKRL-UHFFFAOYSA-N 413.522 0.882 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2)CC1 588236442 UJOJWZJRVWYOCO-GOSISDBHSA-N 424.549 0.750 30 20 HCED CN(C)C(=O)COc1c(Cl)cc(S(=O)(=O)NCC(=O)NCC#N)cc1Cl 588901233 ZIWSSISGOKTHOR-UHFFFAOYSA-N 423.278 0.378 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 590419135 DBHGYDXASNAYGQ-LBPRGKRZSA-N 407.452 0.783 30 20 HCED CC(C)(CO)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 611430833 STJDKLJADWDYDB-HXUWFJFHSA-N 417.529 0.923 30 20 HCED C[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)CN1CCN(C)CC1 733976539 RAOOMNSJMDUJRM-OAHLLOKOSA-N 407.540 0.115 30 20 HCED CC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737268229 BDDPWEXDQBPBAY-ISPGYRLHSA-N 410.496 0.715 30 20 HCED C[C@H](CC(=O)N1CCCC[C@H]1CNC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742616171 MEQZSKUQBKWUHK-OLZOCXBDSA-N 407.496 0.553 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)c1 748748726 AORMTEJUZIGRRA-INIZCTEOSA-N 409.533 0.885 30 20 HCED C#CCN1CCN(C(=O)CN(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 748814838 FNKJAUASSXNPPW-UHFFFAOYSA-N 418.542 0.571 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC2)cc1 752435505 NCCGHWGHPKXSKA-PGMHBOJBSA-N 407.496 0.260 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccccc1-n1cnc(C#N)n1)c1cc[nH]n1 752989620 LXFWBMDXCZZQDD-UHFFFAOYSA-N 408.378 0.785 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CC1 756650451 LWEFWGQPXWRNPS-UHFFFAOYSA-N 417.941 0.674 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H]([C@@H]2CCCO2)C1 757002523 ZEVVSTJMZBPTBB-HOTGVXAUSA-N 407.492 0.912 30 20 HCED COc1ccc(OC(F)F)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771892404 RLMMIANCJOCLKI-UHFFFAOYSA-N 418.378 0.006 30 20 HCED C#C[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@H]1CCCO1 772890778 RZOBRGIVQLSOQQ-RTBURBONSA-N 405.520 0.744 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 783011150 KOXNBFSEYUCYMR-SFHVURJKSA-N 420.535 0.720 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)NC2(C#N)CCC2)C1=O 784237649 UAYICRAUITWKTQ-IBGZPJMESA-N 414.418 0.568 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc(-n2cncn2)cc1 785399453 QCYGQJCXZFGEGC-CQSZACIVSA-N 404.434 0.939 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H](CN1CCOCC1)c1ccccc1 785558163 GSJVJHRAWYZRMW-IBGZPJMESA-N 422.489 0.671 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C 785988489 LWYYKNHKPHLWSL-UHFFFAOYSA-N 407.492 0.790 30 20 HCED N#Cc1ncccc1OS(=O)(=O)CCCS(=O)(=O)Oc1cccnc1C#N 799820837 WPEAFHZCNAESDF-UHFFFAOYSA-N 408.417 0.727 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1)c1cc[nH]n1 804396027 ZNLNQADMYNQGNM-WDEREUQCSA-N 406.361 0.713 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCn2cnc(C#N)n2)c1 806218677 XGAKFYMVLHCCLF-XQNSMLJCSA-N 416.467 0.784 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 806989730 OVOIYZYSTZDOGY-WBVHZDCISA-N 419.441 0.605 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 814551986 ZAHJYAWJQRHKLU-HNNXBMFYSA-N 412.464 0.898 30 20 HCED O=C(CNC(=O)c1ccccc1I)N[C@H]1CCCN(O)C1=O 816753589 LQOUMAHHRFJUKI-NSHDSACASA-N 417.203 0.517 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 915798957 WRQSSHPRBWMFBM-RBUKOAKNSA-N 420.491 0.912 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 921162023 SVBGTEJZMZPPGD-ZDUSSCGKSA-N 416.459 0.154 30 20 HCED Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2Nc2cnc(C#N)cn2)cn1 1047702779 ARSCGTQZQBALPY-XWEXYQFDSA-N 405.462 0.912 30 20 HCED C[C@H](CC(=O)N1CCC(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1116275598 VTXYRGPRBIBCKV-GFCCVEGCSA-N 413.521 0.539 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCn3c(CO)nnc3C2)CC1 1191970199 VCJOGFKFARTYIE-KRWDZBQOSA-N 413.457 0.134 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1266230305 RYSCLUDUTXRXAI-OCCSQVGLSA-N 424.910 0.962 30 20 HCED Cn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1314917439 XAKUEBCFGWSOHE-DYVFJYSZSA-N 404.500 0.487 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nc21 1320737491 JTOODAVCVAKAIP-MRXNPFEDSA-N 419.445 0.790 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC#N)CC2)cc1 1329329053 GCABLLCPDAXOQP-UHFFFAOYSA-N 406.464 0.046 30 20 HCED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1344028626 AKLWUKUCIDOZIO-AWEZNQCLSA-N 406.402 0.737 30 20 HCED N#CC1(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCOCC1 1563909258 QTVFWZWMZAXSDD-UHFFFAOYSA-N 401.471 0.135 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(C)(C)S(C)(=O)=O 1570394619 NFGOXWBQCJPKJL-LBPRGKRZSA-N 401.510 0.555 30 20 HCED Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1612222954 SVANERLNZMKECM-GOEBONIOSA-N 419.511 0.563 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1712884261 JIRQIADCGUKHML-HNNXBMFYSA-N 418.479 0.009 30 20 HCED C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1741955509 VUKNKQACHHSZLL-GLJUWKHASA-N 402.480 0.927 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1754736848 ULUXOVPMJNYWCU-CNPFRCHTSA-N 404.511 0.640 30 20 HCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC(=O)N1C 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C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840160897 XDZHNRIUXDCKNX-UGSOOPFHSA-N 405.480 0.118 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C2)C1 1840169847 SLYOPXMOKYTJJD-OXQOHEQNSA-N 410.467 0.808 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840449717 IZZDRYYFXWMAJV-HTAPYJJXSA-N 413.474 0.719 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)c1 1840538262 BVVKYKYPVQDOFD-GCJKJVERSA-N 413.474 0.973 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566307 GSXFOJHGWSZPMP-UTKZUKDTSA-N 411.543 0.356 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840841699 PZNBZILUSNYGLQ-IBGZPJMESA-N 404.492 0.439 30 20 HCED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1841135613 YZYYEPQQRVFRLL-UHFFFAOYSA-N 409.450 0.523 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844207097 LTODERUPYZKTLN-UHFFFAOYSA-N 406.357 0.805 30 20 HCED C=CCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC 25989440 HSWZFHQRLUGTBV-UHFFFAOYSA-N 403.391 0.279 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 409508071 LFCUMBNOHRKXDW-ZDUSSCGKSA-N 416.525 0.384 30 20 HCED Cc1c([C@@H]2[C@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C)cnn1C 431355102 YLBMSUCRQKKEOO-UZLBHIALSA-N 407.478 0.863 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434934381 ACHVAFIMMDNCMP-UHFFFAOYSA-N 400.483 0.500 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 435055467 IOJVEWWNNPCUGV-NVXWUHKLSA-N 417.535 0.590 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc(O)cc3)CC2)nc1 436841655 UHMCQVKSHZZLOU-UHFFFAOYSA-N 400.460 0.891 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N(C)[C@@H](C)CC#N 439330479 QTKQKRWNMLALML-ZDUSSCGKSA-N 408.480 0.629 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCc2cc(Cl)ccc2N2CCOCC2)n1 440019667 OAUUBZOLBRXZJQ-UHFFFAOYSA-N 416.869 1.542 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@]4(CCO[C@H]4C)C3)CC2)o1 447820291 GIUJSCLHGFZTTE-AVYPCKFXSA-N 403.483 0.772 30 20 HCED COc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)ncn1 460917090 ZRGOERNKFBHJRR-UHFFFAOYSA-N 404.408 0.776 30 20 HCED CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 464852054 KYMRJHIDEOROGY-NVXWUHKLSA-N 400.483 0.803 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ccnn2)cc1 465422959 PMSBSCOQBJXVJM-AWEZNQCLSA-N 417.433 0.605 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)[C@@H]1c1cnn(C)c1 472437474 MGOXALGUVHEWBC-YSIASYRMSA-N 409.446 0.790 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 473361463 PHZHMJBTQSFKBS-UHFFFAOYSA-N 417.447 0.467 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475985817 SYZZMVCZNUZACV-IRXDYDNUSA-N 404.492 0.589 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccsc1 479385346 SQQBLFHDGIMZSD-UHFFFAOYSA-N 424.507 0.717 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 481237558 YACQHXGEEGCSKZ-KDOFPFPSSA-N 412.471 0.925 30 20 HCED C=CCCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 489133385 SQFKXJDHJBBWKS-UHFFFAOYSA-N 402.542 0.419 30 20 HCED N#CCCN(C(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 511863544 HTYKFXINXNAGIP-UHFFFAOYSA-N 411.462 0.226 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 517868341 MRYIGISKDJPDKC-AWEZNQCLSA-N 404.489 0.659 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 523089517 JLXXESMYYFCHFZ-UHFFFAOYSA-N 402.432 0.104 30 20 HCED Cc1c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cccc1S(=O)(=O)NC(C)(C)C 525322469 NJKDZRJQNRHKJZ-ZDUSSCGKSA-N 408.480 0.761 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccn4)c3)CC2)n1 545496679 BAUCSWLLYXHSHW-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 552902246 HLCNIHQPMWJKLL-QZTJIDSGSA-N 413.478 0.114 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 557733155 OJKVJIFJPPBUSZ-GOSISDBHSA-N 419.570 0.298 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 558157200 AHRYJYAXGZGWOP-UHFFFAOYSA-N 401.858 0.900 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCN2CCc3ccccc32)CC1 559792796 GKQWADZHHUAWDR-UHFFFAOYSA-N 413.522 0.002 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@]12CCCO2 568334026 QFEVIPYQXSGAKI-JXXFODFXSA-N 410.434 0.920 30 20 HCED N#Cc1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 570756762 ARXPTSLIZRIJEV-UHFFFAOYSA-N 402.432 0.380 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(CC)CC)CC1 578802238 UAVTXFQYHNIMRV-NXHRZFHOSA-N 408.543 0.389 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cncc(C#N)c2)cc1 581853467 FCFRADLWFXPVMA-UHFFFAOYSA-N 410.477 0.356 30 20 HCED CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 588767012 UIGIQOMADQOGIP-LJQANCHMSA-N 404.474 0.905 30 20 HCED COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1OCC(N)=O 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HCED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCNc2ncccc2C#N)c1 751042111 BDSDCOXUVSGGRF-UHFFFAOYSA-N 418.431 0.917 30 20 HCED CO[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 752134452 SPTZIJJNRYZVBF-IXPAQYDLSA-N 408.480 0.685 30 20 HCED C#C[C@@H](CC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 754388867 PRCUEIMZFZMLQM-KRWDZBQOSA-N 423.473 0.582 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)[C@H](C#N)C1 757589647 GPLWIPROJWXMEI-VXGBXAGGSA-N 414.509 0.902 30 20 HCED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 759482501 IWOQCMQDCVKODN-DLBZAZTESA-N 406.527 0.964 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 783479976 NVJIRPATIZDZBA-CQSZACIVSA-N 412.851 0.714 30 20 HCED N#CC1(NC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccc3c(c2)CCC3)CCC1 784213267 OSENYHZHFSDSFY-ZWKOTPCHSA-N 411.458 0.856 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(NC(=O)NCC)ccc1C)[C@@H]1CCS(=O)(=O)C1 787559842 HPJKUCIQDVWHQU-OAHLLOKOSA-N 420.491 0.724 30 20 HCED CSCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 797376755 XHBSWUUEJLEJSW-XMHGGMMESA-N 414.509 0.849 30 20 HCED CCOC(=O)C1=C(COC(=O)[C@@H](C)n2cnc(C#N)n2)NC(=O)N[C@H]1c1ccco1 798748590 YRPMRQWJTPKNEE-BMIGLBTASA-N 414.378 0.718 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 799286056 CNOWHEZRMFLXIH-WMLDXEAASA-N 409.508 0.734 30 20 HCED C#CCNc1nc(NCCN2CCOC[C@@H]2C)nc(NCCN2CCOC[C@H]2C)n1 804431265 NNHMHZUUSXLLBQ-CALCHBBNSA-N 418.546 0.182 30 20 HCED COc1ccc2c(c1)nc(CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)n2C 806666818 ZECPORJUYMPQGR-UHFFFAOYSA-N 407.434 0.693 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(C)(C)C 807534750 YAIPKSYECJKOMR-LZWOXQAQSA-N 403.483 0.622 30 20 HCED COc1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)cc1C#N 809501644 OEQOBFZZRMWRIH-LJQANCHMSA-N 413.522 0.810 30 20 HCED C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 811185737 SKZVSWQGCUTAFS-PBHICJAKSA-N 424.479 0.990 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812304695 NQEKMTRXCWRLFH-CVEARBPZSA-N 404.496 0.484 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc(C#N)o3)C2)CC1 815733171 JHDZVKSHADYQMT-UHFFFAOYSA-N 424.479 0.858 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCOC2)cc1 918465428 MGDQJEPYFJIICO-CHOFAJOMSA-N 422.507 0.981 30 20 HCED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)nc1 990913872 BAZXSUFHCRPBHE-POZBKUHFSA-N 418.457 0.260 30 20 HCED COCCn1cc(N2C[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC2=O)cn1 1141566457 NIGYFFSRCSJVDB-QGZVFWFLSA-N 423.477 0.498 30 20 HCED CCN(C)C(=O)Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1295070094 NSUVAEUZJHAMNF-UHFFFAOYSA-N 411.514 0.874 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1299303068 PJRTWWFHQMJCKO-UHFFFAOYSA-N 404.496 0.981 30 20 HCED N#CCCN1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1302597997 ZSWTUUIKOMAJQV-HNNXBMFYSA-N 400.888 0.037 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCOCC2)nc1 1322733375 VVCZTFUEMRQIJV-ZCXUNETKSA-N 400.439 0.244 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N(C)C 1360653132 MBIIKNBOVVZOJP-ZDUSSCGKSA-N 419.511 0.485 30 20 HCED COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1=O 1468671269 SUATTZPFVMKMPJ-ICSRJNTNSA-N 413.522 0.822 30 20 HCED CCc1noc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1499269356 CFQOGWPMWGXLJM-KGLIPLIRSA-N 420.495 0.816 30 20 HCED CNS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503837534 XHTHTDWEKVZFFZ-INIZCTEOSA-N 407.544 0.661 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508406154 KCFLOAUCMZRBNF-HUUCEWRRSA-N 423.543 0.391 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1509953110 KNORKUHDHDGKDI-UONOGXRCSA-N 412.516 0.386 30 20 HCED Cc1c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cnn1C 1510502981 XLHNGVCXHNFGKX-LBPRGKRZSA-N 406.516 0.719 30 20 HCED CN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1516969631 QGRVJJFDMIFPRH-NSHDSACASA-N 408.260 0.853 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(=O)nc1O 1546271924 RCVIYHNNAHMBJV-NSHDSACASA-N 403.345 0.411 30 20 HCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(O)CCOC1 1548172254 SVYIMYMRVFTIHG-FQEVSTJZSA-N 413.482 0.559 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1561840881 PDMWUDGDNGHOIH-UHFFFAOYSA-N 404.517 0.996 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)nc1O 1618460213 PCMMDCRLRUKFAC-HNNXBMFYSA-N 411.418 0.007 30 20 HCED CNC(=O)CN1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1645061442 KBBWFEAROKQCCU-UHFFFAOYSA-N 409.284 0.980 30 20 HCED CNC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711400463 RIBLJZRERSYYJY-UHFFFAOYSA-N 418.465 0.464 30 20 HCED CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729609889 PRGXYAHWQGRQPN-HNNXBMFYSA-N 416.530 0.365 30 20 HCED C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760372100 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O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3snnc3C3CC3)[C@H]2C1 1787741073 SSEMAMPUFQEUEE-AVGNSLFASA-N 404.448 0.097 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1789956425 KLNDHVKNSPXUCM-XWSJACJDSA-N 423.558 0.014 30 20 HCED CN1CCCn2nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)cc2C1 1790523067 CABKRINCYLFEMD-ZVZYQTTQSA-N 400.483 0.226 30 20 HCED Cc1cc(C)n2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)c2n1 1791077585 LTHGEBRZVWEFIY-SZMVWBNQSA-N 424.457 0.632 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1CC)C2 1792484250 JYEMVPCXABJGBL-RHNHGDFNSA-N 412.490 0.706 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cc1F)C2 1792490873 RHBPZNKGHPUYAM-PKPDMIBBSA-N 417.437 0.593 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ncn(C(C)C)n1)C2 1792564050 BDBWNTOEWYUKEZ-FYVVFRBKSA-N 400.483 0.969 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1793349246 MFDIZKDXTHZDNQ-HIRMHNASSA-N 422.551 0.585 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nc1 1793573901 CNGMLOIQPOMMCG-HGKCTWBKSA-N 417.462 0.803 30 20 HCED COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)s1 1795419878 IILSODRQNBMYOU-IVWMJMPLSA-N 405.476 0.971 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNCP(=O)(O)O 1795521039 XBRDNDHIOKYKOT-IVSAIRAKSA-N 415.427 0.069 30 20 HCED CCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597957 LMQPFWVJOLCNGM-XOIINTDNSA-N 403.483 0.722 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccccn13)C2 1795598573 XIAXCGLVXNFCCV-HGKCTWBKSA-N 424.505 0.819 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnoc1COC 1796687670 QQHQNRJPVZIJAY-DLTLXFJOSA-N 407.467 0.597 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=C)CC(=O)OCC)C2 1797714514 WFTYLHDUQSUQSS-DFGXFYAUSA-N 408.495 0.659 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(Cl)nc1)C2 1797739759 CVUCGKRJKYKFHG-GILBIFNZSA-N 420.901 0.805 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)CS(C)(=O)=O)C2 1798393083 GCIQQSQLOJHCDF-IBEHDNSVSA-N 400.541 0.878 30 20 HCED CC(=O)C[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800940046 BHFGLPALAQFOJA-UCNWVYJCSA-N 409.483 0.720 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nc[nH]c2C1 1801267973 CEDGLDZEFIOSKX-YXBKOPBNSA-N 416.522 0.677 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)ccc(Cl)c1F 1801827178 GEYRAQBBDSTCIP-PCCFMPIBSA-N 412.776 0.909 30 20 HCED Cc1c(Br)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)nn1C 1801988966 VWLJWCQHHAGMML-ZSBIGDGJSA-N 423.267 0.831 30 20 HCED Cc1ccc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)cc1 1802116562 NFDLXNQFZUFGOU-IZZQQSIFSA-N 412.490 0.864 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1c1cccnc1 1802481683 LGUHVODZPQCXJZ-SXQBJFQMSA-N 422.489 0.993 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)cc1 1802580978 PNTRPIZLKARJRF-ZJOUEHCJSA-N 406.490 0.488 30 20 HCED N#CCCC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1806860372 IXSZDRWLCPMQKD-IERDGZPVSA-N 409.446 0.706 30 20 HCED C=CCC(=O)N1CC[C@@H](CNC(=O)Cn2cc(C)c(O)nc2=O)[C@@H]1c1cccnc1 1814036582 BFHAGBJAILHUCJ-LPHOPBHVSA-N 411.462 0.934 30 20 HCED NC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1814226607 SGXPLCLKTJHZMN-WLYGZDHSSA-N 412.450 0.468 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCNC(=S)NC)[nH]n1 1815198350 PARYAVVYEOHOHJ-HIFRSBDPSA-N 420.539 0.924 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815764117 GLNVBIISLVAMNR-FJOGCWAESA-N 415.479 0.205 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(C(=O)O)ncn2)[nH]n1 1822199676 USUAILYVCRVYGZ-ZDUSSCGKSA-N 412.362 0.292 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822616131 KDSRAVCWTYXQNG-OPDFLTKYSA-N 409.512 0.579 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(Cl)nc3)CCO2)C1 1829523121 KPYXSHOJDMGRRM-MEDUHNTESA-N 400.888 0.518 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)cc1 1829903494 WADLTXUALBFCFF-JQVVWYNYSA-N 413.474 0.328 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829919145 LYPQTHQMZNCLKY-QDLBXXMRSA-N 419.478 0.724 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1829922287 FQYUIFMOGZYYLB-HLIPFELVSA-N 411.499 0.813 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830463349 ZFUNZYYEUMMMPD-HTAPYJJXSA-N 415.490 0.982 30 20 HCED C[C@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)n[nH]c21 1831213507 ONQZYYDZMLSKLQ-OYHNWAKOSA-N 412.490 0.943 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1831388343 QQJOPDMIALNKKA-XMSQKQJNSA-N 421.538 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3OC)C2)C1 1831397687 VYKFTYYEJGUZNB-HTAPYJJXSA-N 416.474 0.804 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCc2ccc(O)nn2)CC1 1831672206 FXDLUHCQWAKGDN-KRWDZBQOSA-N 414.462 0.823 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1832454710 ZVKXSTNVCHGQGU-IBGZPJMESA-N 408.524 0.718 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832672030 LKTFZHOCDDOQAF-FQEVSTJZSA-N 421.519 0.836 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427942 GWAXWEQPBHVOTK-IBGZPJMESA-N 420.510 0.036 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cc(C)cn3)CC2)CC1 1833464888 YMQOGBRTDATRCV-SFHVURJKSA-N 415.538 0.801 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1833469276 OHCFNRKLFJJQTN-QGZVFWFLSA-N 416.526 0.278 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1833496531 NAIABDORGAKZLU-HXUWFJFHSA-N 416.434 0.048 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1conc1C)CCO2 1834337073 JDKSAWLZHCEYAA-HXUWFJFHSA-N 421.450 0.562 30 20 HCED CCc1ccnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1834957235 PKKWQASIQDDHGV-UHFFFAOYSA-N 412.490 0.917 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(F)cc3)C2)C1 1835354435 VWOOZQDEAGPITJ-FQEVSTJZSA-N 405.426 0.965 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677992 TXHOMFVOKGGGHW-HXUWFJFHSA-N 418.498 0.070 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836973184 LVICQXGTPHLNAS-ACJLOTCBSA-N 410.496 0.054 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1837525874 QRFQYYULULUBCT-VZNYNTKLSA-N 421.454 0.009 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637593 NNKWOBLKAMSEGZ-NFBKMPQASA-N 424.501 0.622 30 20 HCED Cc1ncc(/C=C/C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840044512 ZLGLUBPURYRQFR-LSTKMXGYSA-N 419.459 0.009 30 20 HCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840141118 XAGDYFBAAZKANL-YRNRMSPPSA-N 405.451 0.112 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1840161258 JIBZUWUAMOMVHC-GZRFBZBPSA-N 406.504 0.765 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1840166872 IZLMTHDVFGUDRP-FQEVSTJZSA-N 406.458 0.741 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484309 LJDAAHUIPVSOGG-GQANSBOFSA-N 416.478 0.537 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561474 MGVATVKDLCERMJ-KQBANSRISA-N 403.435 0.459 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)cc1 1840834263 FSSYLUPRURFGPN-QFIPXVFZSA-N 411.458 0.802 30 20 HCED CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1842780018 POCHERUAYUMZCI-UHFFFAOYSA-N 401.448 0.296 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)n2)C3)c(C#N)c1 1845138808 WDZMRTZJKBHTJV-UHFFFAOYSA-N 423.429 0.828 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197105 UHCLOZBOCKBPGT-SPLOXXLWSA-N 417.462 0.535 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(S(=O)(=O)N(C)C)CC1 27434288 KTVZNTURRXEDCB-OAHLLOKOSA-N 411.503 0.885 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 46102688 AOGQARCEVODJLZ-HNNXBMFYSA-N 401.510 0.856 30 20 HCED N#Cc1cccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 57484537 SHOPMVXCPRRPJK-UHFFFAOYSA-N 410.433 0.723 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 409535090 KQZDNADWFOBIIS-UHFFFAOYSA-N 407.562 0.205 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1=O 410119596 OKBNVJFTZNMBIC-SFHVURJKSA-N 405.520 0.776 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCN1Cc1ccccc1 431210926 TURSNPXLNFUKMY-QZTJIDSGSA-N 409.490 0.540 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1S(N)(=O)=O 442230530 FHUTZZGIFXESGL-UHFFFAOYSA-N 402.432 0.648 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 444732865 KNUYTZYANGXKQI-RKVPGOIHSA-N 406.508 0.455 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 446523716 OWLMPLOZMACWQY-JKSUJKDBSA-N 405.476 1.000 30 20 HCED CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 464852059 KYMRJHIDEOROGY-WBVHZDCISA-N 400.483 0.803 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 471669221 PCQKYIYQVPQMTK-LJQANCHMSA-N 410.522 0.925 30 20 HCED COc1ncc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C(N)=O 474875907 VEGYVCIJSMXGCM-UHFFFAOYSA-N 403.420 0.633 30 20 HCED C[C@@]1(C(N)=O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 478554615 BNXOJIRADJOUEN-LJQANCHMSA-N 404.492 0.683 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 481436633 NOWXEYAVIOUUEA-IUODEOHRSA-N 411.505 0.403 30 20 HCED Cn1cc(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 482809550 BWZOILXFTQJJSO-UHFFFAOYSA-N 409.406 0.505 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 485557045 BQUMHZCRGQKHCA-KBRIMQKVSA-N 411.480 0.162 30 20 HCED Cn1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(=O)O 486048535 RLACNPPUDHGJQY-OAHLLOKOSA-N 402.432 0.674 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(F)c2)c1=O 489100318 JNXPUDCPLGCSOZ-HNNXBMFYSA-N 401.463 0.867 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC(F)F)c2)c1=O 489263044 XFNUIAAIAWXTNL-UHFFFAOYSA-N 423.441 0.797 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC(C#N)CC1 490465562 VFFRGEUCURXKJN-UHFFFAOYSA-N 420.491 0.717 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)n(C)c1=O 491869846 VTGHYJOYTOTKOF-UHFFFAOYSA-N 418.417 0.012 30 20 HCED N#Cc1ccccc1OC1CCC(NS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 500077101 XPFQHVUOBJZVNG-UHFFFAOYSA-N 413.521 0.813 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2)c1=O 501772126 VTOFMHKSBXIYNH-UHFFFAOYSA-N 411.483 0.645 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1C#N 504774455 KBYHUJSTDWKGTD-HNNXBMFYSA-N 420.491 0.458 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)nn1CCC#N 504890156 ZCBSHBHNSNKLLN-MSOLQXFVSA-N 410.478 0.795 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 506484060 YTLNJYNGBNNCQM-UHFFFAOYSA-N 405.524 0.773 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCN(C(C)=O)CC1 506910820 IZQRSPWYFHIKHT-CYBMUJFWSA-N 421.479 0.577 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 507686003 WDKXZJSJTWHBHS-KRWDZBQOSA-N 401.511 0.333 30 20 HCED COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 508088359 ZVFAYRRJFBYUGX-DLBZAZTESA-N 410.452 0.347 30 20 HCED C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508816710 KIRXRWUUMQLBQB-QGZVFWFLSA-N 418.461 0.464 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CC(N)=O)c1ccccc1 512378890 WIAFAJRZNUEUOU-GUYCJALGSA-N 400.460 0.958 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccon2)c1=O 512719621 DQUSWXGIIRCHHX-UHFFFAOYSA-N 412.475 0.190 30 20 HCED CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCOCC1 513331553 HNXMIUBWLZLOPG-UHFFFAOYSA-N 406.508 0.502 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 521342257 VPEQFGJXAICAAB-UHFFFAOYSA-N 415.494 0.954 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)C1=O 522986291 AQLCOVSXJMDCPG-QGZVFWFLSA-N 414.462 0.461 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)O 541003330 RTFNEGHSOFUPCH-SECBINFHSA-N 417.237 0.925 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)NCc1ccco1 542300341 CXIVYWLPQDAGQQ-UHFFFAOYSA-N 400.391 0.548 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)C1=O 549014503 ONDMXXASQZMFET-UHFFFAOYSA-N 408.418 0.735 30 20 HCED Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCc4ccc(C#N)cc43)C2=O)n(C)n1 550519295 XSFYVCMUGCOBDB-INIZCTEOSA-N 406.446 0.801 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CCN1Cc1ccccc1 552339398 MVEYSOYXAROVHY-RBUKOAKNSA-N 400.479 0.535 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)C1=O 553383592 BIDDJKOFGOHNDZ-UHFFFAOYSA-N 402.338 0.394 30 20 HCED CN1CCC2(CCCN2C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 554694289 GICONBHNPQJEDT-IBGZPJMESA-N 423.517 0.862 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)n1 559025009 JKBCWKZBZGMSBP-OAHLLOKOSA-N 402.499 1.019 30 20 HCED Cn1c(CCC(=O)NCC#CCO)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 559304589 ILLRQJRIWUGZSP-UHFFFAOYSA-N 418.519 0.792 30 20 HCED COCCOCCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 569455401 ZYQYDNHKPNQCIL-INIZCTEOSA-N 406.458 0.952 30 20 HCED C[C@]1(CCCO)CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577415233 QIIARBITKZSGDC-PGRDOPGGSA-N 412.490 0.929 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CCN1Cc1ccccc1 588107131 YZPCAQUIYZBHKK-OALUTQOASA-N 400.479 0.392 30 20 HCED COC(=O)C[C@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 588214909 YJUMBASULFSXEH-RBUKOAKNSA-N 418.469 0.798 30 20 HCED CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](N(C)C)C1 590565392 MNWAMQGLWAKREB-MOPGFXCFSA-N 413.522 0.981 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccncc3)CC2)cc1 603586954 UJKWTZKXEQMPCI-UHFFFAOYSA-N 413.459 0.216 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)cc1 604371220 HGRYAPRIRWCMME-GOSISDBHSA-N 422.551 0.287 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608989977 ARHJCILMZHEEMH-UHFFFAOYSA-N 405.466 0.918 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)nc1 609001260 VFQJNAFDWQEHNG-GOSISDBHSA-N 412.494 0.955 30 20 HCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 609336655 DPBILUWYXSYQQF-ROUUACIJSA-N 404.559 0.806 30 20 HCED N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cn1 609641420 YUVHDQCYGRBGGZ-HNNXBMFYSA-N 420.472 0.671 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 609672095 ZNLWBZIEHNVCIG-UHFFFAOYSA-N 406.508 0.610 30 20 HCED CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCC1=O 610210811 YGUMWFUCRHAIJZ-KRWDZBQOSA-N 404.492 0.792 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 610291961 IIMXLEDOIOXNIX-YKCBXCCJSA-N 423.473 0.591 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 610804383 NCHGOALIVJOUCJ-FUHWJXTLSA-N 420.535 0.938 30 20 HCED C=CCc1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc(OC)c1OC 614447507 PLXIVJLNRQJMIX-UHFFFAOYSA-N 400.439 0.403 30 20 HCED CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CCOC)cc1OC 615254431 INPMHKWBNOOVBP-UHFFFAOYSA-N 412.468 0.784 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 615516176 RWVFZTLULDOBNW-UHFFFAOYSA-N 403.420 0.349 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCOC[C@H]1C 729384841 DLXVXQWUPWXHME-WBVHZDCISA-N 422.551 0.977 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 729529494 VCSHDDXWPXWSMS-MOPGFXCFSA-N 413.474 0.746 30 20 HCED CCCCNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 729687620 VOZOZHAWMPTXMT-UHFFFAOYSA-N 410.452 0.661 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 733364227 AZQDYZSIEYEJCV-UHFFFAOYSA-N 403.395 0.709 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCOC 743727763 DNXZUDGAFPILFW-UHFFFAOYSA-N 400.460 0.440 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn(CCOC)c2)c1=O 743728901 QYERRZMITTWDIJ-UHFFFAOYSA-N 415.519 0.358 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCOCC1 743760039 NJZGMKIXFXUHAM-OAHLLOKOSA-N 409.508 0.942 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 749521735 WOMJDNUMDUFROZ-CQSZACIVSA-N 400.501 0.629 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 756303154 SPKWZQBHFRJCOY-UHFFFAOYSA-N 412.439 0.242 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)s2)c1=O 758078187 ZVJNLCAEYNYQSO-UHFFFAOYSA-N 408.302 0.616 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 758321208 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C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC#N)n[nH]1 1816745628 FIWSATBVWPUYKZ-SWLSCSKDSA-N 410.438 0.924 30 20 HCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1823079042 JSFINNMZKAHVSB-RYUDHWBXSA-N 421.527 0.696 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1824490480 PZPAHNJBPIKVOW-ZWCUEREDSA-N 421.538 0.295 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)CC(N)=O)CC1 1824586178 JEAOZSWOQVRHJX-PPVIZMFSSA-N 418.538 0.976 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826068437 PJYAIZQLSUXNGT-UYSIFFEZSA-N 423.491 0.709 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1830306449 VHTANFNKFCDFGH-OAQYLSRUSA-N 411.414 0.777 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225087 QSSHKSTULZABTM-VGOFRKELSA-N 413.474 0.719 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1831388342 XEEFHVWRVBSEMJ-KKSFZXQISA-N 424.494 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1831391564 QXCZGZUWJGCNDU-LIRRHRJNSA-N 422.869 0.238 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3)C2)C1 1831402483 IKSRUKGDZABYFY-OPYAIIAOSA-N 403.479 0.544 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831502700 AFHOKIVQHZMFPG-FVJLSDCUSA-N 424.542 0.132 30 20 HCED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)[nH]1 1831853784 MAWJJBPIUGOIBQ-SWHKHVPSSA-N 415.450 0.500 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831982265 WCKOUZGEOGJVMH-FUHWJXTLSA-N 415.490 0.569 30 20 HCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833062104 BZBKYSNEXNCJSC-UHFFFAOYSA-N 407.584 0.911 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CC(=O)NC)CC2)CC1 1833471426 YNNMZLNGPQPTKL-UHFFFAOYSA-N 408.543 0.677 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCn3cncn3)CC2)CC1 1833477553 XGCIJPPMKQHVMF-KRWDZBQOSA-N 418.542 0.831 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(Cl)c1)CCO2 1833576584 RMZLIXAAAPUSPB-SFHVURJKSA-N 408.842 0.814 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)CC1 1835346212 VUHLOLASMDRYAO-HXUWFJFHSA-N 417.418 0.177 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835518015 DEODZBJTVQHBRE-VGOFRKELSA-N 414.506 0.542 30 20 HCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835641761 FMVRNBKWBWKSLS-HXUWFJFHSA-N 420.510 0.036 30 20 HCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835731387 HNYLGCCIHNTUCA-HRHQUXDPSA-N 419.570 0.801 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oncc3C)C2)C1 1837399427 SXTRWLFCEJJEJN-QRWLVFNGSA-N 407.467 0.626 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1838527218 QWYVMAPVDDVUPU-UHFFFAOYSA-N 409.446 0.335 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(F)(F)C(F)F)C3)C2)c1 1838732225 HLTGIQAAMAFIFU-MRXNPFEDSA-N 418.347 0.857 30 20 HCED CC(C)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738009 LDLCZBIWUICHMK-MGPUTAFESA-N 404.467 0.770 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c1 1838906548 PFIHNPOLLQHLAA-OAQYLSRUSA-N 407.430 0.732 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)cc1 1838950955 PKNMNFPJTFPBAT-OAQYLSRUSA-N 409.446 0.594 30 20 HCED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)CC1 1839223529 YLHJFKHNKRSWEJ-UZLBHIALSA-N 411.499 0.670 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1839887785 RELOSRRGKLXSPT-CXAGYDPISA-N 418.441 0.101 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840163121 DMYJFRCFPPXMJH-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1840163294 FZJSULJDGGPVQR-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NCC=C)C2)C1 1840165207 QAKAKGYBDBJQHV-HEDKFQSOSA-N 403.479 0.105 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(OC)n3)C2)C1 1840840136 ACCRMCXJYMYVPW-QFIPXVFZSA-N 415.490 0.893 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1840840568 WTYDTEQWAZMANK-FQEVSTJZSA-N 402.451 0.359 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840842682 VJUZSJLVIYBHKX-LJQANCHMSA-N 402.476 0.879 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841582320 QVBJXDZPZGZSOG-CQSZACIVSA-N 415.512 0.027 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844794813 QDLBSYKPMPVASU-HNNXBMFYSA-N 417.466 0.589 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)N2CCOCC2)cc1 1847211639 TWSCAOCHMOPCHF-IRFCIJBXSA-N 412.490 0.343 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 24677537 CATZQHGYIXWSBR-OAHLLOKOSA-N 415.537 0.695 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCCC1 25807102 XYWSZFQPKKBZCP-UHFFFAOYSA-N 401.466 0.701 30 20 HCED CCCNC(=O)CN1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 31160109 QPZCFIVPKOFQFA-UHFFFAOYSA-N 413.526 0.775 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 52051798 CVIVIZORFXNSGN-UHFFFAOYSA-N 404.496 0.644 30 20 HCED C=CCc1cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)cc(OC)c1OC 111066306 XMIQHDBDECIART-ZDUSSCGKSA-N 410.492 0.808 30 20 HCED COc1ccc(C(=O)Nc2cnn(CC#N)c2)cc1S(=O)(=O)N1CCOCC1 139741696 KXSPHDWAAVOTNE-UHFFFAOYSA-N 405.436 0.688 30 20 HCED CCOC(=O)c1ccc(N2CC(NS(=O)(=O)N(CCC#N)CCOC)C2)nc1 409496224 UVPZGIZUXQMZMX-UHFFFAOYSA-N 411.484 0.143 30 20 HCED CN([C@@H]1CS(=O)(=O)c2ccc(Cl)cc21)S(=O)(=O)N1CCO[C@H](C#N)C1 409497005 AQEIASYWGZHGII-DGCLKSJQSA-N 405.885 0.569 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 409593570 IKQPMZUAJXSNMH-GOSISDBHSA-N 408.524 0.917 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 435070404 OHQMVQKOKHPXII-AWEZNQCLSA-N 419.482 0.873 30 20 HCED COC(=O)c1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)cc1 438229062 GCFBINZLIVWBCW-UHFFFAOYSA-N 419.463 0.948 30 20 HCED Cc1nccn1CCCN(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 438447217 SXYDRHGQIAEGNC-UHFFFAOYSA-N 406.450 1.190 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1C 439063848 CCFIXQRBSXENNL-UHFFFAOYSA-N 420.494 0.774 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N(CCO)CC3CCCCC3)n2)cc1 441478558 OMLZFAYCJYXZNF-UHFFFAOYSA-N 410.478 1.538 30 20 HCED C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 443260230 BYUKDOJKQFRRGI-SCLBCKFNSA-N 411.462 0.849 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1 444498344 YOUCGVNKWZVTMX-WMZOPIPTSA-N 404.492 0.733 30 20 HCED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 445173454 OTRKOXRLXQNVPJ-RTBURBONSA-N 407.426 0.945 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2sccc2Cl)c1=O 447282725 KDMAZVSAMMVNRY-JTQLQIEISA-N 409.920 0.960 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](O)CCc1ccccc1 460652678 DOFANNQYIYIBLP-SFHVURJKSA-N 418.457 1.496 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H](C)S(=O)(=O)C3CCOCC3)CC2)c1C#N 461193266 HPIBEJNRBRRFDB-ZDUSSCGKSA-N 412.537 0.954 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1 465385344 APQPONYVAORUTA-SCLBCKFNSA-N 406.464 0.259 30 20 HCED C[C@@H](CO)N1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 470935351 WVOIQMRHHXRCRC-AWEZNQCLSA-N 414.441 0.737 30 20 HCED NC(=O)[C@@H]1Cc2ccccc2CN1CC#CCN1Cc2ccccc2C[C@H]1C(N)=O 472751346 NRQCZMGWNZPZKM-VXKWHMMOSA-N 402.498 0.814 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2ccnn2C)cc1 473052603 RCZQQXCWZWYNHM-UHFFFAOYSA-N 405.480 0.824 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1 475459895 DXUOLPICLIRFQP-CQSZACIVSA-N 401.423 0.585 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479371987 AUTIPTBMIYRAHZ-AWEZNQCLSA-N 414.487 0.132 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccsc2Cl)c1=O 479380087 ICJDWJSVACJLEH-LLVKDONJSA-N 409.920 0.960 30 20 HCED C[C@@H]1OCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1C 483511394 RSQBMWHLNCEOOF-HOTGVXAUSA-N 406.508 0.500 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2OCCOC)cc1 486714523 SNGZNXRENLNIRI-IAGOWNOFSA-N 405.451 0.478 30 20 HCED N#CC1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 490397357 UIYAAICSPOQGCY-UHFFFAOYSA-N 424.454 0.547 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2)cn1 497721609 URONOOYUXQHBPJ-GOSISDBHSA-N 421.505 0.726 30 20 HCED CN(C)CCN(C[C@H]1CCCO1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 499932774 UBRJUBUQIPXCJN-QGZVFWFLSA-N 408.524 0.748 30 20 HCED CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 506686148 IJKFXPCHOKULNS-CZUORRHYSA-N 402.480 0.774 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 507687598 LHGJVNFECMMUTN-XLIONFOSSA-N 413.522 0.822 30 20 HCED COc1cc(OC)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1Br 508318943 ONAAIRNETMUDGR-UHFFFAOYSA-N 423.227 0.684 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508928724 BPZNQJIRNIDHMF-ZDUSSCGKSA-N 405.484 0.582 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)CN1CCOCC1 513180046 YGLLLFCTYLSQFI-AWEZNQCLSA-N 414.441 0.906 30 20 HCED CCN(C(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)[C@H]1CCS(=O)(=O)C1 513974907 VBRGWJCCRUYULF-AVYPCKFXSA-N 416.503 0.367 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1 514209726 XJMUQEQGQPBHIW-AWEZNQCLSA-N 406.458 0.458 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)c(Cl)c1 516708582 UWHHGJFQTKTMFH-UHFFFAOYSA-N 412.837 0.993 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1 523003035 FSDGRACSLVUMQP-UHFFFAOYSA-N 409.468 0.084 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 523667145 QSHFOPLGQXPDQV-CQSZACIVSA-N 408.480 0.824 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)n1 532165074 VEEWQLVNOIHTNF-UHFFFAOYSA-N 414.487 0.307 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 536988111 DLIFNRIUAPVNAG-UHFFFAOYSA-N 409.393 0.506 30 20 HCED Cn1cc(S(=O)(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 540697367 XRYOLQJJYGUXIW-LLVKDONJSA-N 402.354 0.646 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)n2)c(Cl)c1 541138441 IYTDECASHPUMBZ-UHFFFAOYSA-N 415.797 0.004 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 554134121 OBLZIXTVTRNXBI-DOTOQJQBSA-N 412.494 0.365 30 20 HCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2C1=O 556327915 ZGYRWNXESVMHFL-CQSZACIVSA-N 419.397 0.797 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C1=O 559781732 QFHDSXZLCUNJHR-ZWKOTPCHSA-N 412.490 0.712 30 20 HCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC2(C#N)CC2)c1OC 562437131 XHIHMXLIMAMEIN-UHFFFAOYSA-N 409.464 0.758 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1OC 564229677 DCHHXGJFMCMJLJ-UHFFFAOYSA-N 423.429 0.894 30 20 HCED Cn1cc(C(=O)NCC2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cn1 572400740 XUPUFLYEFURLHD-UHFFFAOYSA-N 416.507 0.602 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)cnc21 577457283 AOQDSHJYNMTGFG-RDTXWAMCSA-N 419.463 0.650 30 20 HCED N#Cc1cc(Br)ccc1CN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O 588102799 QGXOHEATBLVVDP-CQSZACIVSA-N 421.251 0.990 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(c4ccccn4)CC3)CC2)n1 600879358 WHCNPPDPCRVSKH-UHFFFAOYSA-N 405.462 0.346 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 604301489 RJIATOLFULFVTD-UHFFFAOYSA-N 409.446 0.736 30 20 HCED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 615307304 ZITHFCMMBWJHTN-QGZVFWFLSA-N 420.433 0.391 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)C1=O 623214635 RFURRKNNNJXUQC-UHFFFAOYSA-N 410.312 0.341 30 20 HCED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670232766 MWJLOKANTKSOSH-HNNXBMFYSA-N 416.548 0.507 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 675601178 VAOYTQKVMBQLPV-HNNXBMFYSA-N 413.434 0.036 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 728532453 ZYXNBGAJLLCSSR-UHFFFAOYSA-N 413.396 0.900 30 20 HCED CS(=O)(=O)CCNC(=S)NCCCc1nn(-c2ccccc2)c(N)c1C#N 729154292 SQXRTELBTUMZQP-UHFFFAOYSA-N 406.537 0.767 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2(C(N)=O)CC2)CC1 731730313 YKWUHZBRQBWJNL-UHFFFAOYSA-N 413.390 0.264 30 20 HCED O=C1CCCN1C[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 732023777 UGURAFGDVHQLRX-AWEZNQCLSA-N 404.492 0.729 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 732475106 URXBRPFIHGWZQL-KDCJFMNISA-N 422.555 0.867 30 20 HCED CN(CC(=O)NCc1cccs1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 732964853 GTJIYRZIOUQURI-UHFFFAOYSA-N 420.516 0.952 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(OC)c(OC)cc2C)CC1 735922753 HXMKNDZZWHOCFF-UHFFFAOYSA-N 409.508 0.458 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 737271399 XGASTMKMLAYANO-UHFFFAOYSA-N 405.458 0.857 30 20 HCED COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 737307224 RATOVTWPHQHPDK-PFONDFGASA-N 420.809 0.708 30 20 HCED C#CCSCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 740520273 XSSXKFSTBOWNBA-QGZVFWFLSA-N 417.487 0.122 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)COc3cccc(C#N)c3)CC2)cn1 741206221 WFDNSJNELWEOMI-UHFFFAOYSA-N 403.464 0.640 30 20 HCED C[C@@H](CCN(C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 744907914 LUJQXLCPUZUSKO-KTNMXJNISA-N 423.539 0.894 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 747017364 PWVLHRIFQZSKJE-ZDUSSCGKSA-N 405.455 0.889 30 20 HCED C#CCNC(=O)CON=C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 747828706 WEHAWWYXBOHHKR-UHFFFAOYSA-N 406.464 0.552 30 20 HCED C#CCNC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(Br)cc1 747834091 CHNRAINFEVNABW-UHFFFAOYSA-N 403.254 0.362 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 753890278 PLPVJOPGHXRJBW-QLFBSQMISA-N 407.492 0.951 30 20 HCED COCCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 754747957 HKRRYBBXKLIVCU-FBMGVBCBSA-N 419.525 0.904 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)ccc1OC 756095019 MFUQEYORMRYJTH-AWEZNQCLSA-N 421.479 0.704 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)c2ccccc2)c1 756462298 RPLWLWCFVWGUHQ-UHFFFAOYSA-N 405.436 0.188 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n1 756751841 XLBLYUDUYJWHQL-JQWIXIFHSA-N 411.465 0.272 30 20 HCED Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 757873464 MKVYTUSHMCIBEY-HTXNQAPBSA-N 423.433 0.928 30 20 HCED N#C[C@@]1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCc2ccccc2C1 770113530 XNUKBSOGLSDORC-OXQOHEQNSA-N 414.487 0.719 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccccc2Br)c(=O)n(C)c1=O 771898083 UATCSNNSVJGTKK-UHFFFAOYSA-N 401.242 0.159 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@@H]1CCCO1 773797264 MQTZEYWGUYBYRE-PBHICJAKSA-N 422.507 0.238 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NS(=O)(=O)CCCC#N 777349815 JTJAJIMZPREIOC-LBPRGKRZSA-N 402.473 0.252 30 20 HCED Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 784602920 BXGLTJOQJBJLED-ZFWWWQNUSA-N 416.459 0.901 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786357242 BRAGLATUVDPGPH-YIKOMLBNSA-N 403.416 0.654 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 793201307 KUOGPLAAAHVIBF-SFHVURJKSA-N 402.432 0.130 30 20 HCED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC(O)(CC#N)C2)C1=O 793870729 SEKKOGMOGQOZND-MRXNPFEDSA-N 421.251 0.703 30 20 HCED C#CCC[C@@H](O)CNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 799220510 LSVLRILEUXJKHX-CQSZACIVSA-N 401.423 0.075 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)nn1CCC#N 799267079 BSCZQUKVWNBVPX-UHFFFAOYSA-N 414.388 0.961 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 804011839 AIERQKKTSGSYIH-HNNXBMFYSA-N 417.441 0.693 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(F)cc1 813041439 LBKXUDZPLASDBZ-INIZCTEOSA-N 413.409 0.310 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C1CC1 914815467 BWHGUKJGTIHCOA-QGZVFWFLSA-N 411.436 0.266 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 916198940 XYYSNHZNZJVEQS-UHFFFAOYSA-N 416.459 0.492 30 20 HCED CN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918237615 OTPAPBCTDQOOBT-PGMHBOJBSA-N 409.512 0.506 30 20 HCED N#CCNC(=O)CNC1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1105474208 APPFIFAYLXVXDR-WGLIWBDBSA-N 402.495 0.179 30 20 HCED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1297807646 ZGPHZNDQJMCSAO-MHZLTWQESA-N 424.552 0.571 30 20 HCED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1314112646 KOLMKMFJBGHEKC-MOPGFXCFSA-N 422.461 0.231 30 20 HCED CN(Cc1nncn1C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1323350749 GBYCCFPGCGMVLW-UHFFFAOYSA-N 402.480 0.746 30 20 HCED O=C(Cn1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1)NC1CCCC1 1334267261 YJZAIBVBOGBVHC-HTXNQAPBSA-N 400.439 0.198 30 20 HCED COC(=O)C1(C#N)CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 1460114061 WSVGCAQKWYXMEG-ZDUSSCGKSA-N 420.491 0.390 30 20 HCED N#CC[C@]1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1468295575 JBQMYZRJZGWZMC-APWZRJJASA-N 422.507 0.704 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1512583220 QLVPORNYSSMDJN-SFUIVIKGSA-N 423.539 0.850 30 20 HCED CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1515800915 ZWSNWKGGTRLHGJ-WBMJQRKESA-N 408.463 0.282 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1557024548 ZVHRQVBJHHPSAM-UHFFFAOYSA-N 402.495 0.858 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(C#N)c1 1669684671 PJXIWVXVMJUDOA-CQSZACIVSA-N 400.478 0.688 30 20 HCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1 1740739278 QOHYXVYNLJMOSZ-SNVBAGLBSA-N 421.321 0.123 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777958923 NNGUVSYBGNHPFW-VFNWGFHPSA-N 402.495 0.943 30 20 HCED Cc1nn[nH]c1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442563 UNSVYWRWLQEZLA-SFIWVIFNSA-N 414.466 0.953 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2[nH]nc4ncccc24)CCO3)c1 1780335261 WTAHSXFLSZDOPI-FQEVSTJZSA-N 405.418 0.915 30 20 HCED O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1780763640 DVCOTNGYORLWGS-DENIHFKCSA-N 400.475 0.561 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1781265518 RVGBAMAVSZWNIK-JXFKEZNVSA-N 408.495 0.877 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1781394927 DBEFNRKJBRGOMH-DBXWQHBBSA-N 423.558 0.253 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nc5ccc(F)cn5n4)C3)C2)c1 1782567085 DFYGNPIKKUCHQW-HXUWFJFHSA-N 423.408 0.825 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783045941 GQRXXPBQLWWEAE-XFQAVAEZSA-N 421.494 0.067 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1783562641 DCTBIOZKSZQLTG-GOSISDBHSA-N 405.338 0.265 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnc3C)C[C@@H]21 1784481436 PXFQLDBHSDJYCP-PTGCCPEKSA-N 402.495 0.771 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1786705957 BBFIBNFGUGXMLC-YDHLFZDLSA-N 415.475 0.653 30 20 HCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787497727 KQAUYGKYQBGURX-YGJAXBLXSA-N 406.508 0.182 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788137510 VSOHCQRBHBFTSK-QAETUUGQSA-N 424.498 0.609 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC)NC(C)=O)C[C@@H]21 1788525851 XKXUERXWDMGKAK-WPVAHCMFSA-N 421.538 0.886 30 20 HCED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1792483620 QJFSUTKKAJJPHS-FVCCEPFGSA-N 410.500 0.584 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2C[C@@]24C(=O)Nc2ccccc24)C3)CC1 1795412572 HJVDBPVOOLWPHI-IVTYCSMISA-N 420.469 0.790 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCN(C)CC1 1795886384 RFDBTNYNOGDAAN-REPLKXPHSA-N 420.554 0.772 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1797449956 HOVAKRUSHZLFPZ-ZSBFGKGUSA-N 410.430 0.524 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)nc1)C2 1797712247 XTWXWDGODDNXGV-ZMMAXQRCSA-N 416.522 0.924 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)cc1 1798919882 WNHBJZURIDWSEI-XOIINTDNSA-N 409.402 0.276 30 20 HCED Cc1nccn1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1800273771 FTWMKZZCWOISGO-HATOLVCRSA-N 407.474 0.896 30 20 HCED C=CC[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800492363 HXMGZYKCCKMJIL-OKYOBFRVSA-N 404.555 0.568 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2)C(F)(F)F 1800551025 DQILOWVADNUXOI-PTEHBNRSSA-N 408.446 0.179 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801255348 QZPKVBIIOSOGHE-QXQUDAHESA-N 417.466 0.411 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1c1cccnc1 1802490980 WROOYBHWLBDNIX-CTUFNNTOSA-N 422.489 0.912 30 20 HCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2)n1cnnn1 1803087271 PKYRMTVFAYYQPV-BWHXBOFGSA-N 405.459 0.401 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803543957 GBIQLELALPGXLW-MXASKKJJSA-N 400.435 0.234 30 20 HCED N[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)c1ccccn1 1807168242 MEYXOPHTTUSWCN-RYGJVYDSSA-N 407.430 0.270 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1807194976 VYACRHRVMMYAIZ-MDZRGWNJSA-N 423.477 0.194 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)c1 1807704121 IPTAHOVZLYLWDM-IVAOSVALSA-N 419.485 0.996 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1810246852 AUJXWZNCEGJOER-QZWWFDLISA-N 416.478 0.769 30 20 HCED N=C(N)NCC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810392668 PKHRVZQPCFANDN-QDMKWJIZSA-N 411.466 0.283 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)CCC(N)=O)[C@H]1c1cccnc1 1812632878 JQAOJAPIQYBGSR-OXQOHEQNSA-N 416.478 0.862 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnn1)CC2 1814976519 SCAQDJLFZOGSNI-LBPRGKRZSA-N 416.511 0.629 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](CC)NC(N)=O)n[nH]1 1817988658 GIVWXHDQTNITSD-NFAWXSAZSA-N 404.471 0.887 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819441762 LDVMXSBJJCDPOD-AKCHCHLHSA-N 421.498 0.644 30 20 HCED CC(C)(C#N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819876299 FLARSCVNNKMPGQ-XHDPSFHLSA-N 407.496 0.255 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2 1828095243 WMXVXQXHLUWNHL-UKRRQHHQSA-N 421.475 0.963 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904918 ZWUOMVGUEXVDIS-QFIPXVFZSA-N 423.473 0.903 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830965499 UDFLZZZFTGTUIZ-LAUBAEHRSA-N 418.494 0.049 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)c3)C2)C1 1831391375 OHNSYRQGRBQBQO-MGPUTAFESA-N 421.881 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccoc3)CCO2)C1 1832643289 OJMPMFVEDFEBFS-HCIHWQEHSA-N 402.447 0.788 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cnn1C 1834427703 YHOOCJAGBUNKBD-HXUWFJFHSA-N 412.450 0.312 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)n[nH]4)CC3)CC2)CCC1 1834772903 QSXDZSLKKRWUSK-UHFFFAOYSA-N 400.483 0.994 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834897239 AWOURTYXJOCUCF-MRXNPFEDSA-N 419.530 0.651 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cccn4c(O)nnc34)CC2)CC1 1835042620 CPDLSDFBYXYNJM-UHFFFAOYSA-N 411.466 0.534 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1835536665 QURDQIMKIXXUNT-JKSBSHDWSA-N 414.506 0.978 30 20 HCED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835886353 QXZHIMRTVKIALD-VSIOZEBNSA-N 423.558 0.303 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836158323 IBTICCCHOVZXAG-UWJYYQICSA-N 418.494 0.881 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@@H](c3ccccc3)C1)CCO2 1836588643 ZKELPGGJJNUGEN-WIYYLYMNSA-N 412.446 0.874 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oncc3C)C2)C1 1837399426 SXTRWLFCEJJEJN-MGPUTAFESA-N 407.467 0.626 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837770230 XNCOBQKLFCKLCF-SFHVURJKSA-N 410.377 0.227 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccncc4O)CCO3)C2)CCC1 1837822776 LUJVPXOMYMROEC-HXUWFJFHSA-N 400.435 0.551 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431447 QSRRCLRGKYOSPR-SCLBCKFNSA-N 405.480 0.118 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839222605 SMURWCNYDGHWTF-YLJYHZDGSA-N 410.515 0.340 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839223018 IWEHRSKTBIVSTR-JXFKEZNVSA-N 421.498 0.599 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1)C(F)(F)F 1839891990 LUOIRRPBQFTTFF-KRWDZBQOSA-N 414.384 0.594 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840066625 KSWLXHSZLIZCRX-QOOAHNBZSA-N 421.473 0.696 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840388734 IDXMFFXKRMDHIY-HNAYVOBHSA-N 410.540 0.746 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840421500 UXVXOYHLMBEXNX-FXAWDEMLSA-N 403.483 0.489 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812282 IUKSNAOTEBXXKS-HXUWFJFHSA-N 401.467 0.492 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840842955 LPDMPPMRNJIPSO-NRFANRHFSA-N 400.479 0.631 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CNC(=O)N(C)C)C2)c(O)n1 1841133701 YISYIHUCFZIZJJ-UHFFFAOYSA-N 415.494 0.994 30 20 HCED CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1841586326 RIBNEUMBLMXVBC-UHFFFAOYSA-N 415.475 0.686 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1841602039 OENSYBQGYMAZSG-CQSZACIVSA-N 416.503 0.133 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844072018 VWWWCLZOWCGIQZ-UHFFFAOYSA-N 400.483 0.764 30 20 HCED O=C(c1cccc(=O)n1O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299558 DJRQPJIZCAPOMH-PBGVMVHZSA-N 404.423 0.432 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1848064499 WDHYAXRIMOQRJB-KBPBESRZSA-N 406.464 0.878 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 24779377 QMVIHVGRUHXLAX-AWEZNQCLSA-N 412.487 0.922 30 20 HCED Cn1cc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2=O)cn1 426798136 HVUCSHMYJVPTLF-UHFFFAOYSA-N 404.434 0.765 30 20 HCED C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 435221724 ZTCSVYIJSWUHJS-LHSJRXKWSA-N 414.462 0.864 30 20 HCED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 441869581 PFBFTNXOKTWDTE-OAHLLOKOSA-N 412.425 1.291 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443082209 SBXDHAGTULGQDR-OAHLLOKOSA-N 409.468 0.687 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3C#N)CC2)cn1 443234708 QXKWSCIAIROPAX-UHFFFAOYSA-N 409.493 0.423 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cnn1-c1cccc(C#N)c1 443749508 PSAXEYGIBXTJSO-KRWDZBQOSA-N 410.434 0.348 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 462020464 MQWZXLNVVKRFTC-KRWDZBQOSA-N 423.477 1.550 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3COc4ccc(F)cc43)n2)cc1 467862794 LGSIIVAJEQKGNE-INIZCTEOSA-N 406.377 1.526 30 20 HCED CC(=O)N[C@@H](CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)C(N)=O 468437389 VDCMLYILPFUCRE-KRWDZBQOSA-N 411.466 0.064 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480935377 XHUVQGBDZQJYQP-UHFFFAOYSA-N 407.455 0.467 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 481814657 VLJUZIQEXFVJLE-RDJZCZTQSA-N 408.524 0.794 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)ccc1[N+](=O)[O-] 488977164 GIFMRKNECBWPLS-LBPRGKRZSA-N 415.427 0.472 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)C1=O 494729342 QAVOQPIYWBEROO-UHFFFAOYSA-N 418.381 0.213 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 500293291 AHSIBFJLQRJPOM-UHFFFAOYSA-N 424.421 0.253 30 20 HCED Cc1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)nn1-c1cccc(C#N)c1 506717823 JUBAMXOSLIEGHC-UHFFFAOYSA-N 402.480 0.099 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCC[C@H]2CCOC2)CC1 507386043 SYICVUZIFVDLPC-AWEZNQCLSA-N 413.434 0.998 30 20 HCED O=C(NCC#CCO)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 510048590 HRRKROHSFOZQBJ-UHFFFAOYSA-N 402.428 0.984 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(C)(C)O 510223558 SRPHSCBQSYYCKW-UHFFFAOYSA-N 408.524 0.484 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cccc(I)c2)n1 511426758 QUDIVDDZRBJJCD-UHFFFAOYSA-N 403.205 0.733 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 512159819 MFKUUKKTTKVFQZ-ROUUACIJSA-N 406.508 0.969 30 20 HCED COc1ccc(OC)c(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 515806431 CJHUULCJHWYCOE-UHFFFAOYSA-N 409.446 0.935 30 20 HCED Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)NCC#N 517476827 VMDZZIVNCACHAQ-UHFFFAOYSA-N 422.488 0.374 30 20 HCED N#Cc1ccnc(N2CCN(C[C@@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)c1 521531590 GYILRHCMEASMCP-GOSISDBHSA-N 406.446 0.953 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cnn(CC)c1 523864896 HUMWCKYKKBGSLW-UHFFFAOYSA-N 412.500 0.377 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N=c1ccn(Cc2ccccc2)[nH]1 527337918 CLQBIURKXLBFPT-UHFFFAOYSA-N 406.450 0.560 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1 547891594 OSGGRZHKFXISOL-UHFFFAOYSA-N 424.454 0.920 30 20 HCED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 555255455 LETQPIMIMLPSBK-AWEZNQCLSA-N 417.557 0.228 30 20 HCED N#CCCN(C(=O)CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccccc1 570606778 FTEGNDQLXPXNHX-UHFFFAOYSA-N 402.480 0.663 30 20 HCED C=CCOC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccc(F)cc2Cl)C1=O 573809987 XXCCCJDEZFLYNW-LBPRGKRZSA-N 405.835 0.880 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H](C)S1(=O)=O 574423357 CMWSESYZOPGRMF-ZFWWWQNUSA-N 409.512 0.401 30 20 HCED CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(CC)C2=O)c(C#N)cn1CCOC 577374939 XOHPABMKQUTKSY-LJQANCHMSA-N 419.438 0.842 30 20 HCED COCCNc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 579265401 IFILNGCGNONGRL-UHFFFAOYSA-N 422.489 0.977 30 20 HCED Cc1nc([C@@H]2COCCN2C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)no1 589417382 WCTURKIUTFITRM-AWEZNQCLSA-N 408.378 0.369 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCC(=O)OC 608826552 GPYNOMUGTUBIBO-CYBMUJFWSA-N 416.503 0.715 30 20 HCED CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 608991741 LFXSWKLZNNXMGQ-UHFFFAOYSA-N 407.478 0.881 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@H]3C(N)=O)CC2)cc1 609077921 JXMSNDNWYLMGJM-KRWDZBQOSA-N 404.492 0.825 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CC(C)C 609311337 LCRBOFMJVAWTCC-UHFFFAOYSA-N 416.459 0.732 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc2c(c1)OCO2 610358468 VABRZYIUGOZRDL-UHFFFAOYSA-N 420.406 0.341 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2cc(CC#N)ccn2)cc1 611656331 QFCHDZLMJXFZBB-PBHICJAKSA-N 416.459 0.919 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1 731125584 CXFZADRDFZSSBI-UHFFFAOYSA-N 412.490 0.794 30 20 HCED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909750 FNQDKRAWSLFKTJ-IUODEOHRSA-N 423.878 0.659 30 20 HCED Cc1nc2ccnn2c(C)c1CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909935 JJHYZZGSPDKDAC-HNNXBMFYSA-N 403.464 0.245 30 20 HCED C#CCN1CCC(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 732917067 WVMQQUJIHZVBFA-LJQANCHMSA-N 412.538 0.743 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1C 739829615 HTUSUEAUKRKNHN-UHFFFAOYSA-N 422.850 0.274 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758052533 RCXLQPOSBXXJFN-UHFFFAOYSA-N 411.483 0.589 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 761022669 CGRMTQHRJSCLLK-UHFFFAOYSA-N 418.563 0.553 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cc(=O)n2ccccc2n1 766300138 PTKJYEIRXLALKW-CYBMUJFWSA-N 412.427 0.976 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@]2(CCOC2)C1 771415008 BGTLXKLVZPCGLJ-KUHUBIRLSA-N 407.492 0.960 30 20 HCED C#CCN1CCC(C(=O)OCc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 772113596 ORZWGIHEJMSDEC-UHFFFAOYSA-N 403.464 0.454 30 20 HCED Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 772778149 QAYZEXDBHUMRDL-CQSZACIVSA-N 415.475 0.723 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCCC1 779314503 IUYOEAGAHPVRJS-UHFFFAOYSA-N 413.477 0.089 30 20 HCED N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 780206423 SVOZYZBOPJFSEM-GOSISDBHSA-N 415.427 0.372 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 789976976 VGYWSDVPWWIZHV-UHFFFAOYSA-N 412.494 0.355 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 794593395 CHWVQNJLASPLDC-INIZCTEOSA-N 424.526 0.941 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 796145109 YYMQKHBGDQIFRQ-MRXNPFEDSA-N 418.479 0.870 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 796736444 RARIYGRDLFPLTM-UHFFFAOYSA-N 417.285 0.829 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1 797377474 BXHAGPMJGYVISS-GTSOSZBYSA-N 406.464 0.199 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800051225 HCYXBOXRGWCNRC-LLVKDONJSA-N 420.479 0.864 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 800076630 SXJBUBXELHHIIU-GJZGRUSLSA-N 403.526 0.979 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1C[C@@H](O)c1cccs1 800076631 SXJBUBXELHHIIU-HUUCEWRRSA-N 403.526 0.979 30 20 HCED C[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)Nc1cccc(C#N)c1 803860114 DNGFMCLFHATDSO-SNVBAGLBSA-N 404.404 0.297 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@](O)(C(F)(F)F)CC1)c1cc[nH]n1 804551086 BFPZTVKHNBJFLF-HNNXBMFYSA-N 406.361 0.999 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)[C@H]1CCCO1 805009011 DCMHNIBROYDQQH-AZUAARDMSA-N 416.497 0.881 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 810776600 ZTIBCEWDLYFOGZ-CQSZACIVSA-N 413.477 0.916 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)c1 915757134 QRJNDXCWDRGCTR-UHFFFAOYSA-N 423.477 0.646 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 916713277 UTWJPRDCHOEUPA-FDXCNZBMSA-N 414.509 0.808 30 20 HCED CS(=O)(=O)c1nnc(COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)s1 1257494010 BCPHXNUCTGWMEX-NSHDSACASA-N 406.445 0.910 30 20 HCED CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1286908116 YCVDXZINAQJYGT-DENIHFKCSA-N 423.521 0.988 30 20 HCED CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1302172725 NQGGTFOKPIZSNV-GJZGRUSLSA-N 410.544 0.877 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1303447370 TWRBCKINEAASLD-MRXNPFEDSA-N 409.450 0.982 30 20 HCED CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1320017693 LBQIODAHPXHZIC-ORIGZDJFSA-N 406.483 0.683 30 20 HCED Cc1ccc(C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 1339935783 BPWGYRBUEVEFBI-OAHLLOKOSA-N 413.521 0.836 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1438203474 UAUGDSQBZFZYTG-GJZGRUSLSA-N 402.451 0.896 30 20 HCED Cc1nc(Cl)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 1459264917 SZILFCHFQAEQBP-UHFFFAOYSA-N 408.871 0.645 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC(C)(C#N)C3)CC2)cc1 1473435256 XBWOQDGXTNWBDP-UHFFFAOYSA-N 404.492 0.568 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1475528627 SZDGVGNOHOFVPH-CJNGLKHVSA-N 401.510 0.942 30 20 HCED CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1541013547 JOTMYJNIXHPCBV-DLBZAZTESA-N 409.450 0.965 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(F)cn1 1541928071 VQZQWIPICJRGTL-MEDUHNTESA-N 411.438 0.913 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](c4nn[nH]n4)C3)CC2)cc1 1558080088 ZTFBXTFPBFDDBP-HNNXBMFYSA-N 415.479 0.488 30 20 HCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1589404939 OERIMPOUNJXASS-NWDGAFQWSA-N 416.301 0.818 30 20 HCED CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1614523941 NCWYHTFBFROWDW-BBRMVZONSA-N 400.480 0.853 30 20 HCED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2nnc(N)n2)CC1 1616675250 ODEFVYZOFWXBMZ-CYBMUJFWSA-N 405.260 0.427 30 20 HCED COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1729763782 QVMHYBOUKMKWRZ-QGZVFWFLSA-N 424.461 0.675 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1750069283 KDOIDOYSUBNEQC-JKSUJKDBSA-N 402.547 0.851 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)F)CCN1C1CC1 1750386331 JHJYLDZQJPVKPW-AWEZNQCLSA-N 416.436 0.898 30 20 HCED Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1779016414 UHXBNXKQMSVHBQ-FUNKKEAFSA-N 404.471 0.222 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1C[C@H]2C[C@H]2C1 1779135919 KDHRZQBWQKSOKE-YKMARCFHSA-N 414.506 0.869 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1779269400 FYOYESWUASUBAH-JLHGSKIFSA-N 417.506 0.812 30 20 HCED CC[C@@H](NC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779362783 QBTLXEVIKDNCGM-OAQXXOLNSA-N 407.559 0.970 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020718 DDACPYGCSJTWIC-LHSJRXKWSA-N 413.478 0.987 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781935664 VVCUJACHFQUCME-VLIAUNLRSA-N 417.418 0.782 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(c3cccc(OC)c3)C1)CCO2 1783048734 XCZOKUPOYNLBBI-AOMKIAJQSA-N 411.458 0.511 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1784478263 XRXJDUZIUALFJF-FZCLSBEQSA-N 401.463 0.017 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](N)c3ccccn3)C[C@@H]21 1784500945 FUPWCYFXWNOINS-NLPXPOPTSA-N 402.495 0.652 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785442483 DXNZHGDXSGLNIM-UTKZUKDTSA-N 421.542 0.403 30 20 HCED Cn1cncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1786126182 MNYYTFRILASZIN-LNLFQRSKSA-N 414.506 0.712 30 20 HCED CCn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1786177644 KECYGJDRRJJRQR-BQFCYCMXSA-N 416.526 0.778 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccncn1 1787567262 XRSBMRWICZJABR-LNLFQRSKSA-N 412.490 0.769 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncoc3C)[C@H]2C1 1789028228 ANLNNRLBDWTBFV-PVPAMPSESA-N 402.451 0.435 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N3CCN(C)CC3)[C@H]2C1 1789797179 JBRNOXZROXHSBO-XWSJACJDSA-N 424.611 0.521 30 20 HCED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)cc(C#N)c3)C[C@@H]21 1790868803 MKKRSEUMDCSQHR-HSCHXYMDSA-N 412.490 0.985 30 20 HCED COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]3C2)n1 1791261339 KGPILXYHXIMXJE-UHXUPSOCSA-N 424.479 0.910 30 20 HCED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1792188194 XOGCCYYPWLSYPK-XSLAGTTESA-N 404.511 0.965 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnc1 1793936612 DDOMVXRUSGSKIY-LORHWOILSA-N 403.479 0.623 30 20 HCED CN(C)c1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)o1 1794602221 SYZFHBSQOWQXIT-MIFYACCESA-N 418.498 0.226 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(F)c1)C2 1797739156 XGVYLWUWHMWQEQ-DLUMSKLASA-N 403.458 0.896 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cccnc2)[nH]n1 1798160276 DFYZPUSDHVNLRR-MBMVNNNZSA-N 401.492 0.993 30 20 HCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2c(O)nnc2O)cc1 1798598813 BVWLPRHKTCGTAP-XOIINTDNSA-N 413.434 0.458 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1799304378 JBUZJBHMGABFAB-ZSBFGKGUSA-N 420.466 0.141 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1799394152 ZEXTZABLEIXDFG-AFIMGQEJSA-N 414.466 0.733 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnn1CCOC)C2)C(F)(F)F 1800550200 GMBHFSCEJFTMMQ-AGGWBTHJSA-N 416.400 0.851 30 20 HCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O)c1ccc(O)cc1 1800755557 HJYMFGWIIBQJBT-JYTGUGRZSA-N 400.475 0.860 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cncn2)C3)c1 1801762115 ACMGOEUREITJFY-DEYWJSPQSA-N 408.462 0.809 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc4c(c2)CCNCC4)C3)CCC1 1801985551 YCEGEVYJGQYPMO-OPVJXMOQSA-N 423.517 0.667 30 20 HCED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1802696065 ZZSONMZVVQFRKI-APWZRJJASA-N 408.462 0.894 30 20 HCED CC(C)(C#N)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806699263 DPGXKVGTXQBMAL-UHFFFAOYSA-N 424.567 0.498 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1cccnc1 1809867946 NKTFSIVHBNGETJ-QRWLVFNGSA-N 423.429 0.468 30 20 HCED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)C1 1813174072 AIMOAQHYUMQVIF-IERDGZPVSA-N 408.458 0.979 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1815199148 NJXIBCZDUWVVLR-OGWOLHLISA-N 419.482 0.091 30 20 HCED O=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)/C=N/N3CCCCC3)[nH]n2)=NN1 1819341584 MLDBSHNLKNAIHO-SLDJAQPHSA-N 414.470 0.749 30 20 HCED CC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819957503 VDTOGUFHUVTQEV-KEGHGJGQSA-N 403.464 0.903 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)n3ccnn3)sc2C1 1824678618 AKJWEVWHJIZTLP-XQQFMLRXSA-N 402.480 0.946 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C2=NNC(=O)C2)CC1 1828861982 SHNWSQXJITZYLJ-KRWDZBQOSA-N 416.526 0.764 30 20 HCED COc1ncc(Cl)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1829583358 VJJHYEJVNDQWFG-SFHVURJKSA-N 408.842 0.727 30 20 HCED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1830871114 FUTAVZZVWFZYDA-RXVVDRJESA-N 401.463 0.645 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1831213551 QLRSBEFVKALTDJ-NRFANRHFSA-N 409.446 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3)C2)C1 1831391214 KEZLUWBXWSNMSY-JTSKRJEESA-N 418.465 0.863 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1831392968 ITPXTGYZIOZZRG-YWZLYKJASA-N 405.426 0.329 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832066633 JFRVFYRTWDXWQT-YJBOKZPZSA-N 401.454 0.748 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CS(C)(=O)=O)CC2)CC1 1833485612 WBQGOMVRLXXDEQ-KGLIPLIRSA-N 419.613 0.557 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2)C(F)(F)F 1834250007 RRQLRAOHDGQRFJ-MRXNPFEDSA-N 402.373 0.609 30 20 HCED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834418153 HSWUMUZVFIFJOG-OXJNMPFZSA-N 421.498 0.774 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)c3ccccc3)CC2)CC1 1834586052 QJBGJOCGLXAPPG-OAQYLSRUSA-N 413.474 0.380 30 20 HCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834703147 FLZGMYJFILKABS-SFHVURJKSA-N 424.615 0.352 30 20 HCED C[Si](C)(C)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)co1 1834761324 XKEYXTNHIJOZNO-IBGZPJMESA-N 405.527 0.808 30 20 HCED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1834942825 TUWODHHWKVFNLS-FQEVSTJZSA-N 420.897 0.843 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN(C)C)CCO3)C2)c1 1834946362 VACOODAPSBIFOG-VGSWGCGISA-N 414.506 0.945 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835518379 JGLUKJLFBDAZCS-IERDGZPVSA-N 400.479 0.152 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ccncc13)CCO2 1836447482 MHXSAERGSPWILN-NRFANRHFSA-N 409.446 0.441 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc4ncccc4[nH]3)CC2)CC1 1836479885 WGHFCQQTCLOOEP-UHFFFAOYSA-N 423.473 0.836 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837161899 JTOSNROBRYNCKX-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)cnc1OCC)CCO2 1838114582 MVYZGJKPYVMCOO-IBGZPJMESA-N 407.854 0.837 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1F)CCO2 1838999983 NBMMOMWJEYUEFM-LJQANCHMSA-N 408.357 0.123 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1839175256 YDLBRGOHTGURMX-DYESRHJHSA-N 422.478 0.645 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(C)=O)C2)C1 1839176455 PJJOFUVXIUWHRG-QVKFZJNVSA-N 424.494 0.567 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c1 1839453814 GBQNHQBPIJXUSX-JOCHJYFZSA-N 412.490 0.498 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1839806337 LBOGYDDVGDTEHD-IERDGZPVSA-N 421.494 0.545 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839839637 IEGCIJIVBPKHCO-MGPUTAFESA-N 405.451 0.368 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839845953 DFXFYBSVIKZILD-PDQWDRGOSA-N 420.506 0.998 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839888455 OEUUZKIPGCGGPP-GOSISDBHSA-N 410.421 0.687 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1)C(F)(F)F 1839891713 SZXUTBFNEWIKEO-DYVFJYSZSA-N 421.416 0.476 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1)C(F)(F)F 1839892632 XXDLKJBEPHYGBF-INIZCTEOSA-N 418.372 0.754 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840160113 XHHQCNOEDWBIMB-UGSOOPFHSA-N 405.480 0.118 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1840161260 JIBZUWUAMOMVHC-NQYLQCIDSA-N 406.504 0.765 30 20 HCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cnn2c1 1840161345 LMYUJEOCDVWFDE-LIRRHRJNSA-N 419.507 0.426 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365818 OEWJZIRQPVTPCA-VGOFRKELSA-N 414.506 0.775 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCC(=O)N1)C2 1841746585 SNASTUQEXLVEQT-HUUCEWRRSA-N 420.510 0.938 30 20 HCED O=C(NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccco1 1843078239 LTYOVZQEBDSHEP-YPKZHZFPSA-N 418.450 0.742 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2ON=C(c3ccccc3)O2)C1 1844195533 SDBZHHIKDCZKHF-YUQDSPFASA-N 424.457 0.783 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nccnc2C(N)=O)cc1 1847307423 PFTWQEMFVIRGKJ-HOTGVXAUSA-N 404.430 0.505 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 7633908 MIXWSROJYHJKMF-UHIISALHSA-N 404.872 0.602 30 20 HCED CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1cc(C(=O)OC)cc(C#N)c1=O)n2C 105853555 UREKQVUCEPTGIW-UHFFFAOYSA-N 412.406 0.092 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 409524965 FAJDZHZPTPIPPY-QGZVFWFLSA-N 415.560 0.112 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCO1 410140379 AGEZEZKHFCRDRO-GFCCVEGCSA-N 400.407 0.192 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 430371799 AADPZXXTKRBDFY-XLIONFOSSA-N 420.554 0.677 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)cc1 432275880 FIOOWGCBVGFAIO-OAHLLOKOSA-N 404.434 0.967 30 20 HCED COC(=O)Cn1cnc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)n1 432969026 DEVLJDMKLOLVHM-UHFFFAOYSA-N 400.214 0.886 30 20 HCED NS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 437348127 QTFLFUZTDLLZNJ-SFHVURJKSA-N 412.471 0.699 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](CO)c3ccc(F)cc3)n2)cc1 440896004 QGPSHEQKSRJTTQ-QGZVFWFLSA-N 408.393 1.125 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 441957193 PEJJQZMNCCFGJJ-AWEZNQCLSA-N 401.513 0.813 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCSC 443554334 UNZNHHQTJBTGMN-UHFFFAOYSA-N 409.558 0.600 30 20 HCED Cc1cc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)ccc1C#N 443908081 MSFIKDZBZZZHKG-UHFFFAOYSA-N 423.516 0.958 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C 461341357 OWGISWJMROVQGM-UHFFFAOYSA-N 419.478 0.640 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 461743002 PASGJLAGRJJQTC-CYBMUJFWSA-N 417.491 0.865 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCCN(S(C)(=O)=O)CC1 462097489 LINTXWUJSRFQBR-UHFFFAOYSA-N 403.468 0.947 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 462102438 CDBMKKFRGDALGT-KRWDZBQOSA-N 422.493 1.218 30 20 HCED CCCNC(=O)CN1CCC(NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462106358 YDSISLUXAUUTBB-UHFFFAOYSA-N 424.509 1.560 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 467679165 UIKWSEYDYOEYMK-HNNXBMFYSA-N 410.452 0.509 30 20 HCED CCN(C(=O)CN1CCOC[C@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 471227341 JFOXGQUIZARBGC-OAHLLOKOSA-N 412.450 0.157 30 20 HCED C=CCN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 474216094 WAJHQOQKNINJQG-SFHVURJKSA-N 408.520 0.906 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)s2)c1=O 477446411 JEZJUIDJZCJDOQ-UHFFFAOYSA-N 419.528 0.752 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccsc2Cl)c1=O 479380088 ICJDWJSVACJLEH-NSHDSACASA-N 409.920 0.960 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 485990042 MMIQMNQRDQNLBS-KRWDZBQOSA-N 420.425 0.934 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cnc(C)c(C#N)c2)c1 489188328 MILPIIILZPLLSU-UHFFFAOYSA-N 423.476 0.087 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@H]1n1cccn1 494010754 LFBRTLBUWRJXCZ-YXJHDRRASA-N 420.433 0.809 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cccnc1 503169810 KJGZHECMSFSJOE-UHFFFAOYSA-N 413.503 0.918 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C 503408685 IMLMVSKVWPGSGO-QGZVFWFLSA-N 404.519 0.226 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 507662384 XYURNVQIRVMTIN-TZMCWYRMSA-N 424.527 0.672 30 20 HCED CN(C)C1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCC1 514406518 GQINJOBWVTVEEE-SFHVURJKSA-N 411.506 0.766 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 517950567 RFSJQOHBGAXKMO-MRXNPFEDSA-N 408.462 0.959 30 20 HCED CN(CC(=O)N1CCn2c(nnc2C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 521111654 CXGBBANCSAOYNP-UHFFFAOYSA-N 400.464 0.690 30 20 HCED C[C@H](Oc1ccccc1C#N)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 521992503 GMOKILDOLGUYRR-IRXDYDNUSA-N 400.479 0.717 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 522649155 XNSKZIDNULALPG-OAHLLOKOSA-N 423.539 0.113 30 20 HCED C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 533524951 XUWCELUVSGXTNX-HNNXBMFYSA-N 415.537 0.551 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc2)C[C@@H](C)O1 539213804 XLSYFUNRVQBPNE-MELADBBJSA-N 408.480 0.699 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)S(C)(=O)=O 543005141 KCBAYKRJADCFBJ-JTQLQIEISA-N 409.855 0.885 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 550373365 TWENCFBYBUGBPM-HOTGVXAUSA-N 420.510 0.845 30 20 HCED COC[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)c(F)c1 564155332 CFEOHALIDBNZFV-INIZCTEOSA-N 420.420 1.037 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 581043977 JGOJYWZHILWPNK-UHFFFAOYSA-N 418.460 0.848 30 20 HCED Cc1c(I)cn(CC(=O)N[C@H](C)C(=O)N(C)C)c(=O)c1C#N 584869143 YXQBGBVDHLTWJB-SECBINFHSA-N 416.219 0.226 30 20 HCED CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585774352 JCWWFHYXXSEIMV-CQSZACIVSA-N 402.499 0.919 30 20 HCED CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587653014 BENFUZZOWYABAG-UHFFFAOYSA-N 422.493 0.553 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H]3CCCCCN3C(C)=O)CC2)C1=O 596920880 YNRILMJMADILHE-QGZVFWFLSA-N 418.494 0.993 30 20 HCED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119065 ZJSFJNSVUUUMJD-UHFFFAOYSA-N 419.528 0.361 30 20 HCED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H](C)C#N 604543670 WBJVGIMTZFWXLT-RHSMWYFYSA-N 422.507 0.490 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)OC)cc2OC(F)F)C1=O 609510377 YFINLMXXJHOXCQ-UHFFFAOYSA-N 411.317 0.990 30 20 HCED CN(C)CCN1C[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1=O 610421400 WNUCMTBNSUXZLQ-PKOBYXMFSA-N 401.486 0.945 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 610690335 KNXBDCCVJJYNCC-HZPDHXFCSA-N 405.462 0.829 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N(C)CCCO)CC1 611156948 LSYFTKHXGPMBGK-OAHLLOKOSA-N 408.524 0.530 30 20 HCED 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HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)cc1 758166333 XSSCKSJKONEYCM-UHFFFAOYSA-N 418.496 0.858 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CCO2)c1 761725782 NWUKWOYUEKNUIO-KRWDZBQOSA-N 419.463 0.749 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Oc2cccc(Oc3ccnc(C(N)=O)c3)c2)C1=O 766647671 VXQPXTGZPOCBCA-UHFFFAOYSA-N 424.369 0.855 30 20 HCED COc1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1S(N)(=O)=O 782367138 WGYLNRZOTXZPEV-UHFFFAOYSA-N 403.376 0.320 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)c1 783464949 OMYAPCJPXAMPGN-UHFFFAOYSA-N 417.429 0.954 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 785163924 GHYFCILPPQDJKL-UHFFFAOYSA-N 411.480 0.430 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 791352713 KZPHREHZTIZUQD-UHFFFAOYSA-N 405.430 0.697 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@](CO)(c2ccccc2)C1)c1cc[nH]n1 794732638 XRRGNCILMXDIRK-HXUWFJFHSA-N 400.435 0.856 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(F)c(F)cc(F)c2F)CC1 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0.803 30 20 HCED CC(C)(C)[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1359590783 KHOBGYIHQBUKKN-POXGOYDTSA-N 408.528 0.676 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCOC1=O 1360647759 ZXIIUZJIVTUJNK-QWHCGFSZSA-N 413.504 0.469 30 20 HCED CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1497327351 JDRJRKIVINCBLJ-BHYGNILZSA-N 422.555 0.782 30 20 HCED CCN(CC)[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1515511969 VOAPLNXEKPXRQT-OWCLPIDISA-N 410.544 0.639 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1521155663 ZYLXEXMDQVVTKD-INIZCTEOSA-N 423.539 0.852 30 20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1539425001 MUSZTQUVLLJZCO-HNNXBMFYSA-N 410.521 0.605 30 20 HCED Cn1c(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1541066452 ZMOFNAOWTLDDIN-UHFFFAOYSA-N 414.447 0.625 30 20 HCED CC[S@](=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1552428725 KBVLUGRXSSJUPS-WFDVWIOOSA-N 403.505 0.391 30 20 HCED 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CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544868513 MMQAMOVGNFHMGP-UHFFFAOYSA-N 406.446 0.990 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 553671882 AGAHFSIYIVITPX-UHFFFAOYSA-N 419.570 0.346 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 553712964 YZAGVIBXEDZKKC-SJORKVTESA-N 417.485 0.619 30 20 HCED C[C@]1(c2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)cc2)NC(=O)NC1=O 557746787 OWQKQXHGUZBDIR-OAQYLSRUSA-N 404.430 0.970 30 20 HCED N#C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCN1Cc1ccccc1 557903298 LIPSNEARDUEAAF-AQNXPRMDSA-N 412.490 0.629 30 20 HCED COc1cc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc(Cl)c1OCC(N)=O 560357456 IXZPTHVTQMFONO-UHFFFAOYSA-N 420.857 1.094 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COCCOC)cc2)c(=O)n1C 561699472 JNNGIKPQQCMFMJ-UHFFFAOYSA-N 413.499 0.415 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2ccc(F)cc2)c1 565276979 SHFUJEXFLIVOOM-UHFFFAOYSA-N 418.450 0.912 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCN(C)CCN(C)C 568797772 GSKKIZAOUFWJJF-INIZCTEOSA-N 409.556 0.567 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 571964507 APNAMKQXQJHNEA-OAHLLOKOSA-N 400.522 0.783 30 20 HCED N#Cc1ccncc1N1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 574256985 OWNMRMHZTYBULN-UHFFFAOYSA-N 406.494 0.604 30 20 HCED Cc1nsc(N2CCN(C(=O)Nc3cnn(CC(=O)N(C)C)c3)CC2)c1C#N 574964699 RUZGKIPRRNEBJK-UHFFFAOYSA-N 402.484 0.962 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 581154826 NLEBRQSBGASJFI-RBUKOAKNSA-N 401.463 0.940 30 20 HCED COC(=O)C1CCN(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 603590494 RQNCDXICGIYJIN-UHFFFAOYSA-N 401.467 0.957 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 603794703 LECABUMWTUREAQ-UHFFFAOYSA-N 413.499 0.690 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)OC)Cc2ccc(F)c(F)c2)C1=O 609506848 DGLUCWPPYLSMTA-UHFFFAOYSA-N 423.372 0.833 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 609736279 YUPVJQVIMFWPKF-AWEZNQCLSA-N 402.480 0.771 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 610004842 MFWBNDRDYRUXQT-FQEVSTJZSA-N 401.515 0.490 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cn2)cc1 610748295 XAGHXCXZRBUKLV-CVEARBPZSA-N 409.402 0.833 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2)o1 616174301 VMUISVNOXRPZJB-UHFFFAOYSA-N 414.510 0.838 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1=O 726044053 ZZICBEDEGZHEJI-LBPRGKRZSA-N 401.375 0.736 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 728590248 YJMCLOGYIZUQEE-UHFFFAOYSA-N 405.398 0.641 30 20 HCED CON=Cc1ccc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1 729980197 MGDSOYUULYGYKW-UHFFFAOYSA-N 415.538 0.977 30 20 HCED N#Cc1cnn(CCOC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c1N 731773222 LQYRHRKAEBLRKG-UHFFFAOYSA-N 405.436 0.215 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733183232 FNHPNFQICZHYAX-LBPRGKRZSA-N 401.510 0.397 30 20 HCED C#CCNC(=O)C1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 747825631 YZBMLXLPJRKVDB-OAHLLOKOSA-N 420.535 0.725 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)C(C)(C)C#N)c1 748467605 UMHHBXWXLIGEES-UHFFFAOYSA-N 409.464 0.861 30 20 HCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 750687046 JVUGYAVBDPFCCU-ZDUSSCGKSA-N 424.417 0.329 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1F 752404708 IWYUKDDAWDKADF-UHFFFAOYSA-N 403.439 0.963 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 756760675 UNWMCVGMTFDIPZ-VXGBXAGGSA-N 405.436 0.529 30 20 HCED CN1CC[C@](O)(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 762811238 KIVDVKYTKRGGEG-RWZYYMRUSA-N 409.512 0.688 30 20 HCED N#C[C@H](C(=O)C[C@@H]1COC(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766261292 KHIGOLMNLGMELE-XJKSGUPXSA-N 400.391 0.905 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)O[C@@H](C)C#N)CC2)cc1 767540989 ZBOHOUFAPUGPHX-AWEZNQCLSA-N 409.464 0.764 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)S(N)(=O)=O 768594076 VEHPHZJSOZWUMX-AAEUAGOBSA-N 416.525 0.077 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CC3(CCCC3)Oc3ccccc32)c(=O)n(C)c1=O 771892917 WEGVPWJCHWYONF-UHFFFAOYSA-N 418.475 0.862 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@H](OCc2ccccn2)C1)c1cc[nH]n1 772379779 XCQCAUZCQFZSKH-HNNXBMFYSA-N 401.423 0.906 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(S(=O)(=O)CC)CC1)c1cc[nH]n1 772667186 CVZIXZFSIQXCNG-UHFFFAOYSA-N 400.457 0.119 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)[C@@H]1CCCO1 773056797 ZLHXRSHEPMGVDS-ZFWWWQNUSA-N 402.494 0.916 30 20 HCED C#C[C@@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCCO1 773562474 SXUBYZNGRTUZLB-HZPDHXFCSA-N 402.476 0.644 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 783480188 PSZNGPNORCEEQD-HNNXBMFYSA-N 418.450 0.658 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 783542609 VPPREGQDPOYBOG-UHFFFAOYSA-N 402.494 0.038 30 20 HCED C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 784276557 VHFYLOKAZUVRFH-GFCCVEGCSA-N 416.433 0.192 30 20 HCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 797138647 XCZOXLCWPCIBCM-ZFWWWQNUSA-N 404.471 0.925 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(F)c1 802559913 ZJWOPPJZYKMZIH-AWEZNQCLSA-N 405.401 0.982 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 804055418 NHRFDSNHTPNAFE-VQTJNVASSA-N 413.522 0.428 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)n1 809236248 KGBYMFWIXVFIDI-POQQWNNTSA-N 422.551 0.687 30 20 HCED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 810780589 JFWNLDUFFJYFJD-UHFFFAOYSA-N 409.489 0.428 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 996979779 NOCWUZQGKKFNLF-OWYFMNJBSA-N 404.467 0.158 30 20 HCED C#CCNC(=O)CC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1054871029 XTHDPZCDYZIQAK-GJDKHYBNSA-N 401.507 0.588 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1137705191 IHJQUESEABKXBD-GFCCVEGCSA-N 402.270 0.850 30 20 HCED CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 1154387100 PZPCVQBEZJMNPX-INIZCTEOSA-N 402.499 0.524 30 20 HCED O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NCCN/C(O)=C1\N=CC=CC1=O 1251775328 QVPBORUEOPXRKH-FMQUCBEESA-N 418.494 0.828 30 20 HCED COCC[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1301453393 YYKZRSQYUWPSOU-MAUKXSAKSA-N 411.528 0.708 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCO1 1309752767 WFBBTWROJAKUTE-YPMHNXCESA-N 402.835 0.643 30 20 HCED COC(=O)[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1318486788 JUJTUIQPLAPURI-CABCVRRESA-N 400.391 0.164 30 20 HCED C=CCN(C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)[C@H]1CCS(=O)(=O)C1 1321928565 PIMCEZPXCCRZNO-KRWDZBQOSA-N 419.503 0.527 30 20 HCED N#CCc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 1325709408 BJCDHMXWFFDRDR-UHFFFAOYSA-N 413.459 0.989 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cn1 1477806791 PRPMWGPBEYHTAT-UHFFFAOYSA-N 424.552 0.163 30 20 HCED C[C@@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1544250100 MUTOOGVKKKMWMG-OAGGEKHMSA-N 408.528 0.393 30 20 HCED COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555416930 CJPJRJHNYKFARG-OXQOHEQNSA-N 419.530 0.380 30 20 HCED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(OCC#N)cc1 1584654709 MYKVCJCIMCADHA-WBMJQRKESA-N 409.489 0.995 30 20 HCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1618583935 XVSLCWFGKHCCBU-FQEVSTJZSA-N 405.466 0.956 30 20 HCED COCCN(C[C@@H](O)C(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1628081216 WREDVZBICBEVNX-CYBMUJFWSA-N 409.386 0.235 30 20 HCED CN(CCOc1ccc(Br)cc1)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O 1656660216 JVHNINVZZGBOTP-UHFFFAOYSA-N 407.224 0.708 30 20 HCED CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)cc1 1664672976 OIVPKBQBLZHTOI-INIZCTEOSA-N 401.510 0.555 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1711406915 NCUKTZLMMAGZNM-CQSZACIVSA-N 411.466 0.532 30 20 HCED COCCN1C[C@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1712471077 YZSFXRRHKQEVDS-HZPDHXFCSA-N 411.466 0.564 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)n(C)c(=O)n4C)C2)C1 1777867150 CGAWUFFEZAADGG-XCLFUZPHSA-N 418.519 0.639 30 20 HCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)C#N)C3)CC1 1778846627 YYVVFDHEOPEUGJ-DYESRHJHSA-N 405.543 0.297 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1779019899 GCCTWZXMFIHPJY-BOURKTIISA-N 401.467 0.702 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OCC)C1 1779200755 OEMWZNHUIHCESJ-DKYLXPRQSA-N 411.499 0.777 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1781246988 DNKDJCYKGMLZPU-BFUOFWGJSA-N 404.854 0.790 30 20 HCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781791304 CLZLTSNXLAJHAD-FQEVSTJZSA-N 419.503 0.631 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)cc1 1783280967 LEGHHBUOJFQKIS-DYESRHJHSA-N 413.478 0.283 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1COc3ccccc3O1)CCO2 1783557319 DZRRSPKSLMPZIG-YCRPNKLZSA-N 414.414 0.134 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4sccn34)CCO2)C1 1783896126 BKZXKDOBJMCZKD-APPDUMDISA-N 408.505 0.518 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCn4cncn4)C3)C2)c1 1784338927 DZTPPCYRKWEBPU-NRFANRHFSA-N 424.461 0.692 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OCC)CC3)C[C@@H]21 1784482502 DEMIKXQEWJJIFD-QZWWFDLISA-N 406.479 0.348 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(Br)cn3)[C@H]2C1 1785383191 YOLNQYAGEWNBON-RCBQFDQVSA-N 406.280 1.000 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)c(C)nn3C)[C@H]2C1 1785777386 FNMHGENTMFSGFH-VGWMRTNUSA-N 406.458 0.499 30 20 HCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)cnn1C 1786184988 MZFUNXZULOWLLA-DFYQCYRCSA-N 416.526 0.794 30 20 HCED O=C(Cn1cccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787101935 HDKWICLWVRYVMJ-KPEINUBZSA-N 419.482 0.392 30 20 HCED Cc1cnoc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789125380 XVJGMUIVXPGHII-JYJNAYRXSA-N 403.483 0.858 30 20 HCED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1790873373 HMXDETHVPXAWMN-KPEINUBZSA-N 424.498 0.021 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21)C(F)(F)F 1790881849 VMASYKASNHOXKD-CYDGBPFRSA-N 407.389 0.147 30 20 HCED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)nn1C 1793127904 UFYCVGWTUHGXFV-BBIADKPPSA-N 421.501 0.975 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CC[C@@H]3C)C2 1793343045 HXAVQPQAIOQDAY-IBTNMTNLSA-N 400.479 0.701 30 20 HCED O=C(C#CC1(O)CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCOC1=O 1793350773 MTIYDSYUKPWRAO-BJWYYQGGSA-N 403.479 0.775 30 20 HCED CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)N(CC)CC 1793456843 BHUOQAXZFVYYNG-RDGPPVDQSA-N 421.586 0.978 30 20 HCED CS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1795358534 YKOYZCVTCRZLIQ-XEMDLRDOSA-N 419.503 0.125 30 20 HCED CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n[nH]1 1797740905 BSBIKFZMVCZSKK-ZFGVFASFSA-N 402.499 0.647 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CC)nn1C 1798170293 ZKEDVGLRWJPPCS-CCWDJLKJSA-N 418.494 0.695 30 20 HCED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)n1cnnn1 1798500179 QZQSZCOUDXFULZ-ALKLVAEISA-N 405.459 0.401 30 20 HCED Cc1c(Br)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)nn1C 1799446109 ZRFONKPKKCUSBC-ZSBIGDGJSA-N 423.267 0.831 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(=O)OC)(C1)C2 1800702574 SVFANYULFVPGCE-IJSAUWMESA-N 420.506 0.902 30 20 HCED CCOc1ncc(Cl)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777821 GSLKAVXALYKEMO-DPIQGUFMSA-N 421.837 0.425 30 20 HCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCCCO)cc1)C2 1801989090 YZTZDPDQCQGGQY-BJWYYQGGSA-N 400.431 0.788 30 20 HCED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1802115550 GXVMOWXSBIDAGG-GWCDLVAZSA-N 405.520 0.713 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@@H]2c2cccnc2)cc1 1807054912 JFWXCFHIOMJHBB-NQIIRXRSSA-N 419.489 0.685 30 20 HCED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2c2cccnc2)CC1 1809601437 YSHLMJNVHKVABU-NFBKMPQASA-N 409.534 0.748 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810284188 LAPLEJINNKNIHK-YDSPRUDNSA-N 414.510 0.647 30 20 HCED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CNCP(=O)(O)O)CC3)CC1 1814467961 DWVXZUBPMZMIGN-SECBINFHSA-N 413.396 0.084 30 20 HCED CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1814619997 CVNXXZGBRPFOTG-NSHDSACASA-N 406.512 0.425 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H](NC)C(=O)O)CC1 1824488930 KHZSITGERYAQCM-KBAYOESNSA-N 407.511 0.707 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(=C)C1)CCO2 1829661401 YKCJICUFKXENOZ-NYPGBQQYSA-N 403.479 0.267 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)C1 1829663877 QGTDNRYUQMUWOW-FQEVSTJZSA-N 403.435 0.122 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)C1 1829668213 JGPXEWRIJDTEIY-QGZVFWFLSA-N 402.394 0.519 30 20 HCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)(C)C#N)CCO3)C2)CC1 1830061539 KBRQMCSACXSXOB-IBGZPJMESA-N 407.467 0.336 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)NCCC)CCO2 1831205607 PPIVTZDQTBIVEA-QFIPXVFZSA-N 421.538 0.943 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831207278 BIOQORNPHLKWAL-SVMVAKDDSA-N 418.490 0.446 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831216677 YLOLNWKRXHTOBC-NRFANRHFSA-N 409.446 0.441 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1831218303 NDJLQWBVKQKIHL-JOCHJYFZSA-N 423.473 0.142 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1831221497 OAVRQMREBAJYJE-JOCHJYFZSA-N 408.458 0.818 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1831421777 QZENADJHMZBJLO-UZLBHIALSA-N 406.483 0.390 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2)C(F)(F)F 1831736330 BQFDKQJGXSAQMU-MRXNPFEDSA-N 416.356 0.371 30 20 HCED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833205382 WNNPVRXTQSLTCL-LAUBAEHRSA-N 415.494 0.669 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834084199 IVGMCVGPKKFYHA-JXFKEZNVSA-N 419.482 0.656 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cscn1)CCO2 1834256836 VKJSROTYYAKULM-VZBSEDMKSA-N 421.523 0.685 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835372487 SGESHFBJFMSBDD-GHTZIAJQSA-N 409.527 0.520 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835707636 MGVZFZDNXPKGRL-CDXJDZJCSA-N 402.495 0.750 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836505977 HNVGVLIUYACWID-UGKGYDQZSA-N 414.506 0.211 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccnnc3O)CC2)CC1 1836860383 OTLZWKBWMQBCBS-OAHLLOKOSA-N 416.478 0.833 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1837402364 AMPVYPNGKSMOIF-YYYYNJOWSA-N 422.547 0.891 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837840129 GECWSKZEKZHZDI-QRWLVFNGSA-N 405.426 0.329 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCOC4)C3)C2)c1 1838742984 VSIWSDSXHXXXJH-JXFKEZNVSA-N 402.451 0.383 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1839839129 VXALFYGTHBKWPU-FOIQADDNSA-N 406.483 0.263 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1)C(F)(F)F 1839890974 FCXJHIVOZHQZMJ-PBHICJAKSA-N 418.368 0.888 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1)C(F)(F)F 1839892637 YDKADDAEVIYUGJ-OAHLLOKOSA-N 424.445 0.578 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840341457 PFJLGTWAWHEAMM-JFZXIXNHSA-N 408.524 0.834 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1840463693 WZWXSHUGDHOTFG-OAQYLSRUSA-N 420.510 0.402 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)on1 1840813307 RRUQLNAACGYLNS-FQEVSTJZSA-N 402.451 0.676 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc(OC)c(F)c1)C2 1841054098 LRQXNAOFWLICIA-WAYWQWQTSA-N 402.426 0.905 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)cc1 1841846434 JACFCOUOQYNUPJ-UHFFFAOYSA-N 409.446 0.246 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843352573 WMVPDMVMOAIAAO-IEEVUCOHSA-N 405.411 0.234 30 20 HCED CCOc1ccc(C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)nn1 1844832679 UTAHYLSZILRDSK-UHFFFAOYSA-N 400.483 0.974 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3cccs3)CC2)cc1 10453401 AGGXXXAMMNGIRM-UHFFFAOYSA-N 418.500 0.883 30 20 HCED C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 29811383 MBSIQODDBQFZTP-NSHDSACASA-N 400.439 0.657 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)NC(C)C)cc2)CC1 33233833 YOZQGGNEHVNTMY-UHFFFAOYSA-N 401.511 0.954 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 409492424 QEQGJTABOYPUGB-GJZGRUSLSA-N 406.516 0.657 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 409572005 CWIQJVRTKTXMCN-UHFFFAOYSA-N 423.539 0.271 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)Cc1ccc(O)cc1 427946016 SXFOVFVPRWVUPZ-BBRMVZONSA-N 403.460 0.650 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 434942780 LHAKVGOQQXIDHI-UHFFFAOYSA-N 413.482 0.954 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCCCC[C@@H]3C(N)=O)n2)c(F)c1 442098614 AAYFMKGRAZYECO-ZFWWWQNUSA-N 412.425 1.372 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc1 442359168 DNSWLWDQIWODHS-ZDUSSCGKSA-N 408.480 0.233 30 20 HCED CCO[C@@H]1C[C@@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1(C)C 444568767 ITTCANHWNKYSQX-NRXGSXMXSA-N 409.508 0.907 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 446716516 JKKQYQKCNFJGEI-QGZVFWFLSA-N 404.536 0.960 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCC[C@]3(CCCCO3)[C@H]2C#N)c(=O)n(C)c1=O 447917916 YTUXDJYCJSAIAS-IIBYNOLFSA-N 417.510 0.895 30 20 HCED N#CC1(CS(=O)(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 463871726 SRFQGBGSBXTGBH-UHFFFAOYSA-N 413.477 0.054 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1C#N 465393889 CNXHYPFDLDKTNE-ZDUSSCGKSA-N 403.457 0.011 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCOC[C@H]3C#N)cc2)C[C@@H](C)O1 471238470 JUXYWNJXNXAMCZ-BFYDXBDKSA-N 422.507 0.647 30 20 HCED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncnn1C 474879367 CFVDRSACIIYNTE-CYBMUJFWSA-N 402.480 0.965 30 20 HCED CN(CC(=O)N[C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(Br)cc1 478642553 ZSXVKDWYNDJPLB-AWEZNQCLSA-N 402.270 0.868 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 482485479 BHXDEVKDESMRMC-WBMJQRKESA-N 408.480 0.012 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccncc2)c1=O 489029852 VAQTUCFSSMDLMU-INIZCTEOSA-N 413.499 0.840 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)n1 508346273 XYTKICLAOIZFBI-UHFFFAOYSA-N 417.857 0.390 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508946820 VENNWEJPJVCUBE-UHFFFAOYSA-N 403.531 0.691 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CCN1Cc1ccccc1 513066197 XCFJPZCQFCNRLG-SFHVURJKSA-N 421.457 0.726 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2OC)c1=O 514916275 BVPILQIEFDSFBC-AWEZNQCLSA-N 415.515 0.983 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)c1 524281084 FUUNYEFCXMDTLO-UHFFFAOYSA-N 419.462 0.790 30 20 HCED CNC(=O)CCN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532954998 LHOQJUJMCMZSOU-UHFFFAOYSA-N 400.439 0.523 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCC#N 541451918 UBKAGNCBQZSEBC-AWEZNQCLSA-N 421.928 0.842 30 20 HCED C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 553242327 SKLKMQKHUPXHHP-ZAKJFIJBSA-N 410.430 0.484 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3CCC[C@H](C)C3)CC2)c1C#N 556083314 AVUIQXAWCXLYDJ-HNNXBMFYSA-N 401.515 0.097 30 20 HCED CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)Cc1ccccc1 559412759 VHIKEVNIUSAIJQ-HXUWFJFHSA-N 420.517 0.891 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCc3sccc3C2)C1=O 559963233 KUNZPUULXBPZKV-GOEBONIOSA-N 404.536 0.856 30 20 HCED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 562036786 OJWDWBAIQUTKMT-HUUCEWRRSA-N 411.470 0.705 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C1=O 571216231 DRJGMYIAWPXAFL-AWEZNQCLSA-N 411.480 0.227 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c1 574966786 YIKMJLIUYPAQKA-HNNXBMFYSA-N 413.459 0.262 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccc(F)cc1 583832918 UBNOVBWSYWBXMY-UHFFFAOYSA-N 424.480 0.989 30 20 HCED C[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)CN1CCOCC1 586845867 XLFRYJZENZXRTH-MRXNPFEDSA-N 414.510 0.123 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)CC2)CC1 600874915 IISGFDFGPFAVJX-UHFFFAOYSA-N 418.501 0.946 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2OC)c1=O 603923503 YQWIDCFDQIEBJH-UHFFFAOYSA-N 401.488 0.594 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 609522343 BQCQUAANPUAKQO-MRXNPFEDSA-N 416.478 0.337 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 610574313 FYWFZNZWXUJMCT-UHFFFAOYSA-N 410.499 0.300 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 684781330 IPFUUQLEKLVBDT-PDWMJMLSSA-N 424.519 0.917 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 685085508 MQFAQMDVLJLBRP-UKRRQHHQSA-N 415.537 0.548 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn(C)c2)c1=O 726179404 NEMHKVBBEBQTJT-UHFFFAOYSA-N 416.503 0.715 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCC[C@H]2O)CC1 730083327 IJZAANVPIYUZKW-IAGOWNOFSA-N 420.535 0.563 30 20 HCED C[C@H](CC(=O)NCC(=O)Nc1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 742614201 RUUWZFNLBJVRAX-GFCCVEGCSA-N 401.448 0.654 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746410553 AYYHFDXBYSCLPG-UHFFFAOYSA-N 419.486 0.404 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1 747737155 WVHJFJLYIQXZAD-UHFFFAOYSA-N 404.517 0.977 30 20 HCED Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1C 748428073 SADGYLHLJRWIPV-UHFFFAOYSA-N 419.463 0.637 30 20 HCED CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748752034 QENZFAAIPVAPSA-GXTWGEPZSA-N 424.548 0.931 30 20 HCED CCOC(=O)CNC(=O)C1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 749464573 YWHPZXRTYBWLFZ-UHFFFAOYSA-N 411.462 0.811 30 20 HCED COC(=O)c1c(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n[nH]c1C 749660021 BXMDYWHRYWEXAZ-UHFFFAOYSA-N 401.408 0.817 30 20 HCED N#Cc1c(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cccc1S(N)(=O)=O 755001293 FRMWVDNWYOQROD-UHFFFAOYSA-N 412.415 0.932 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(C(N)=O)cs3)nc2)CC1 755886717 CPMZDLVQTQTAGC-UHFFFAOYSA-N 408.509 0.624 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 756314219 IIBNSQPKDJYKKH-QGZVFWFLSA-N 412.490 0.792 30 20 HCED COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(c2nccnc2C#N)C[C@H]1C 756911594 VZCNDLVXSZZIFG-NGWPFTMJSA-N 416.507 0.839 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 763399383 BJSXVDYKKIJGQN-HOTGVXAUSA-N 409.450 0.365 30 20 HCED CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCc1ccc(C(=O)OC)o1 765593483 FTPHSAKQURWASL-UHFFFAOYSA-N 414.374 0.980 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 772569374 BUXJTUGTCNVBJD-SFHVURJKSA-N 416.503 0.917 30 20 HCED CCOCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 773617053 BQZWHLLXNGNVJS-HKWRFOASSA-N 412.468 0.522 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 774986183 WSNQWYSXLMPKQH-PQJBRBTKSA-N 417.340 0.569 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 775188510 AZSMNFMVGNRHSD-PFKVCDDJSA-N 422.507 0.739 30 20 HCED N#Cc1ccc(NCCNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nc1 780821959 ZLXAIOXWWUBQTM-MRXNPFEDSA-N 422.511 0.201 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)CC1 781593867 PBTCXFISLORCIH-UHFFFAOYSA-N 403.457 0.564 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C 783346506 CAVGSUIJDHKIFT-UHFFFAOYSA-N 411.480 0.118 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 787739899 VDSKOGHSAAADGC-GOSISDBHSA-N 420.473 0.961 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 792450214 OSBSGOIDFDBCBW-ZDUSSCGKSA-N 411.455 0.703 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 794736348 XMPAZLGRNLMJGR-CQSZACIVSA-N 411.443 0.672 30 20 HCED C[C@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)n1cnc(C#N)n1 798740777 BROHRIPTFSIDBI-LLVKDONJSA-N 414.378 0.764 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](CN2CCOCC2)C1 800649215 LSBDMTJTOLBFPB-INIZCTEOSA-N 420.535 0.686 30 20 HCED O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 804631711 OJADQNOYIRPYIM-RHDHSSKXSA-N 420.466 0.799 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 810777901 QLMZZSBBPRWEHH-MCIONIFRSA-N 400.522 0.753 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N(C)C)cc1 918241287 IODUJTFQPUAINJ-JWGURIENSA-N 423.539 0.894 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(CC)C(=O)C2=O)C1=O 920430327 IUKDLMKWTRWJKK-LJQANCHMSA-N 409.487 0.379 30 20 HCED C=CCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)C[C@@H]32)nn1 960405911 VQBYUCVBJDQPTE-GCDKYVQMSA-N 401.467 0.331 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCN(C(N)=O)C3)CC2)cc1 1140237779 ZYGZRRMSNCATAX-HNNXBMFYSA-N 419.507 0.476 30 20 HCED Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cnn1C 1304106985 WXIVPFOJGVSDMC-BZNIZROVSA-N 410.479 0.421 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(CS(N)(=O)=O)CC1 1322504640 OZZRMURXTJZOOK-UHFFFAOYSA-N 404.496 0.678 30 20 HCED Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1339962016 XMKIZCGAXGSBSM-ZDUSSCGKSA-N 417.495 0.781 30 20 HCED CC1(C)COCCN1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1360833697 ZOVFQXQJWUBJFK-HXUWFJFHSA-N 419.505 0.953 30 20 HCED CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1503942382 XPIKIXWVQPPDHY-MJBXVCDLSA-N 400.505 0.384 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1516224987 KQMPHOOMFCWFRN-UZLBHIALSA-N 421.498 0.591 30 20 HCED CC(C)C(=O)Nc1nc(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 1523842281 GPSMCJTUVLTKSS-GFCCVEGCSA-N 412.493 0.246 30 20 HCED CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541242546 JVMYSSLMDVNQNR-INIZCTEOSA-N 417.514 0.240 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1 1554504988 QMNDPCPEAZVZHQ-IBGZPJMESA-N 416.507 0.983 30 20 HCED N#Cc1ccc(-c2cc(N3CCN(CC(=O)NCC(=O)N4CCCC4)CC3)n[nH]2)cc1 1559978039 MYWOHCBMWCIQCW-UHFFFAOYSA-N 421.505 0.809 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CO)c1 1611711052 JNUYPKOKCDMOSP-XJKSGUPXSA-N 420.495 0.158 30 20 HCED C[C@@H]1Cc2cc(S(=O)(=O)NCCn3cc(C#N)c(O)nc3=O)cc(Cl)c2O1 1664544356 QKVNGMYHNAIZLT-SECBINFHSA-N 410.839 0.776 30 20 HCED COC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729811081 ZDFLMLHSQGGMJG-GOEBONIOSA-N 422.555 0.782 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1 1741945596 UKSNMGAXMHNSHT-GDBMZVCRSA-N 420.495 0.696 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1748278848 WRYMQTNPMBGSAQ-UHFFFAOYSA-N 411.466 0.567 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCC2)CCO1 1770747586 JBJWBZNKIOHYBR-HOTGVXAUSA-N 408.528 0.395 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccn4cncc4c3)C2)C1 1778653813 TWMCONXLQHSSBJ-BNOLWBGWSA-N 423.473 0.636 30 20 HCED 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408.524 0.794 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 497554183 YYLDZBMFROGPNC-UHFFFAOYSA-N 411.549 0.527 30 20 HCED CCOC(=O)Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 505061352 KJDCGBMQFBWYHZ-JTQLQIEISA-N 423.476 0.821 30 20 HCED CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508307867 INULSRCULFNXIL-UHFFFAOYSA-N 403.830 0.696 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508705578 JYBMEGACUUJWOS-KRWDZBQOSA-N 406.531 0.933 30 20 HCED C=CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508889205 RIPMMVVRKLHEAM-UHFFFAOYSA-N 411.510 0.815 30 20 HCED C[C@](C#N)(NC(=O)CN1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1)C1CC1 509942659 HYSXQKMSFBLGDX-NHCUHLMSSA-N 400.527 0.611 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@@H](C#N)C1 518001860 PAFZQNVMEQTXSJ-AWEZNQCLSA-N 424.479 0.862 30 20 HCED C=CCN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 519270568 VPVKUIKYHGAWJY-UHFFFAOYSA-N 408.524 0.551 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc(C)n2)c1=O 523081506 MBQNMJWVXKLHBH-UHFFFAOYSA-N 404.517 0.493 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccnn2C)c1=O 523182375 JJLRJZPVJLDINK-UHFFFAOYSA-N 416.503 0.715 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n(CCC#N)n1 533318006 XENYFJFDJDIFBO-INIZCTEOSA-N 415.498 0.199 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1 540305177 HQLSFRRHDUIDOK-YPMHNXCESA-N 410.500 0.282 30 20 HCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544871788 AGURXQMKRKOYKO-UHFFFAOYSA-N 420.473 0.871 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CC(C)C 546779453 JNWGDNXFRSSYEA-UHFFFAOYSA-N 415.471 0.552 30 20 HCED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)CCCc1[nH]nc(N)c1C#N 551100391 AKGWXMYTRMFQMY-SFHVURJKSA-N 410.478 0.854 30 20 HCED COC(=O)CC1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 560128672 PIOZZWWWVHFIER-UHFFFAOYSA-N 408.476 0.949 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCN3CCSCC3)C2=O)cc1 570878577 ADUXQCWAOSVSKO-KRWDZBQOSA-N 415.519 0.335 30 20 HCED CNCCCc1[nH]nc(NC(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)c1C#N 575203271 HPNCCMSUMMHFBR-NSHDSACASA-N 405.484 1.429 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2OC(C)C)CC1 578529907 ODZWEKMOJBULNK-UHFFFAOYSA-N 402.495 0.536 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 580370161 WACNJKYMOZOXCU-SZMVWBNQSA-N 400.479 0.786 30 20 HCED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 581519767 ONRNDGJPQPXHCC-APWZRJJASA-N 419.551 0.321 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)C1=O 582745647 SFTGAWZMPWJMGM-CQSZACIVSA-N 404.433 0.622 30 20 HCED Cc1nnc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 588336489 LSVMEXWAYNSUIZ-UHFFFAOYSA-N 401.452 0.549 30 20 HCED Cn1ncc2ccc(CNC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)cc21 589775039 RFETXTZXHKFZLH-UHFFFAOYSA-N 414.429 1.340 30 20 HCED CN(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 603595638 XNVNSWKFRNEQTN-AWEZNQCLSA-N 407.496 0.191 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(CCN3CCCC3)CC2)cc1 603732535 SZDODKOHIIOVAO-UHFFFAOYSA-N 404.536 0.713 30 20 HCED N#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 609332621 MZDLJCZBINMPMW-UHFFFAOYSA-N 421.342 0.893 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cn1 618877989 QPRJUYHWTMPXQI-GOSISDBHSA-N 423.477 0.175 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)C1=O 623226481 DYXHIESLOFCZDR-OAHLLOKOSA-N 413.434 0.052 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726182046 KCQQVZZVEMATKB-UHFFFAOYSA-N 420.498 0.086 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 728532692 HKFOTKHIMIDZLM-UHFFFAOYSA-N 407.474 0.565 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)ccc1F 736268726 BODNFUMQGVJTIK-RYUDHWBXSA-N 404.485 0.938 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2c(C)cnc2O)CC1 737169123 WUMJHAOKELATSH-UHFFFAOYSA-N 409.446 0.813 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)cc1 737246229 DCBSNABLZDSYRE-UHFFFAOYSA-N 411.414 0.826 30 20 HCED O=C1Nc2c(I)cccc2C1=NN[C@H]1CCS(=O)(=O)C1 750909704 HTPGQVDRKKUWSI-ZETCQYMHSA-N 405.217 0.724 30 20 HCED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 750962914 AHVPGHFKLXTTOL-HXUWFJFHSA-N 416.401 0.940 30 20 HCED CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 751922076 CIJNJSURXGDTDT-QMTHXVAHSA-N 417.491 0.520 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)CC1 757885277 RYWQCTUMTIEKDZ-UHFFFAOYSA-N 419.482 0.376 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3ncccc3c2)c1=O 758060496 DNIVKWHEXDLUFF-UHFFFAOYSA-N 418.478 0.357 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2F)c1=O 758067444 GKFAGQXBZSOGRC-UHFFFAOYSA-N 411.458 0.352 30 20 HCED CCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758777729 PHVZPTVLWSQFEF-HUUCEWRRSA-N 408.503 0.209 30 20 HCED CN1CC[C@@](O)(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 762720742 ZJGDGCQECCIMLA-LJQANCHMSA-N 408.524 0.468 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)C 763437094 ZDLMVKNJCXZJCI-UHFFFAOYSA-N 416.547 0.950 30 20 HCED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 763956470 PGPOYGLJLAPZBM-UHFFFAOYSA-N 406.464 0.525 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 764143493 UJCURWYYSTUMIE-UHFFFAOYSA-N 420.491 0.841 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCOc2ccccc2C(N)=O)c1 768778704 FKDBGASZKFKEFT-UHFFFAOYSA-N 402.428 0.933 30 20 HCED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 769956432 QLOGLHBCHXAUPV-QGZVFWFLSA-N 410.789 0.771 30 20 HCED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)cn1)C(=O)N1CCS(=O)(=O)CC1 774093061 DPUBFPBMKMKVNY-NSHDSACASA-N 405.354 0.602 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)ccc2C)c1=O 777940892 NQQYUWLDAINHRU-UHFFFAOYSA-N 401.463 0.785 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCC1CC1 778490087 CQXFMAWCFUBKAM-UHFFFAOYSA-N 406.508 0.928 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780051360 RPHPNEIBUZKPBR-OAHLLOKOSA-N 401.467 0.585 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 783541589 IHWIYBROJUWZAS-MJBXVCDLSA-N 402.538 0.610 30 20 HCED C#CCOCCNC(=O)C(=O)N1C[C@H](C(=O)NC(CC)CC)Oc2ccccc21 785155759 JRWODVRVKCSGNC-GOSISDBHSA-N 401.463 0.851 30 20 HCED C#C[C@@H](NC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CCCO1 786084432 XIQCYZKQHFJOEG-RTBURBONSA-N 412.490 0.503 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)c2cnc3ccccc3n2)n(C)c1=O 792115464 XZGVNFOESGTCOF-GFCCVEGCSA-N 403.402 0.643 30 20 HCED COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793224583 UNUQIFZTHWNQDZ-WDEREUQCSA-N 412.468 0.715 30 20 HCED C[C@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798939134 ICFJVEQZJVNHLE-ZIAGYGMSSA-N 419.486 0.590 30 20 HCED C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)C 799042140 PDJKWICMFOMSOC-CVEARBPZSA-N 400.522 0.542 30 20 HCED COC(=O)N1CCC(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 804684370 WXTFZRRFAKAKOI-ZDUSSCGKSA-N 408.480 0.820 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4[nH]c(O)nc4c3)CC2)o1 808636696 CEEUXWZTTSWKRH-UHFFFAOYSA-N 411.378 0.337 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(F)c(C(=O)OC)c1C)[C@H]1CCS(=O)(=O)C1 810394097 XIRVVXHNPRYPDF-LBPRGKRZSA-N 410.423 0.508 30 20 HCED N#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 812615785 MZHYYPCPDJBLRM-UHFFFAOYSA-N 404.448 0.628 30 20 HCED COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 815431895 OMZUEKUPJUFDDR-UHFFFAOYSA-N 408.462 0.839 30 20 HCED COc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1C 815512142 JRMYHQMMRDSOOR-MSUUIHNZSA-N 402.407 0.593 30 20 HCED O=C(CC1(CC(=O)N[C@@H]2CCCN(O)C2=O)CCCC1)N[C@@H]1CCCN(O)C1=O 820483010 WJHYCPOFLNKYGX-ZIAGYGMSSA-N 410.471 0.320 30 20 HCED NS(=O)(=O)Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 895683765 CBLLNRZDCKRFKC-UHFFFAOYSA-N 422.488 0.542 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3)CC2)o1 915376322 RUSHCCGDZLITIC-UHFFFAOYSA-N 422.405 0.336 30 20 HCED C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C)nn1 957703771 NGLUSAYGIJMQKU-QYXWGXCQSA-N 403.483 0.482 30 20 HCED C[C@@H]1CN(c2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)C[C@@H](C)O1 1122415311 RLEJMAHXCIOGMA-FMKPAKJESA-N 420.491 0.275 30 20 HCED COC(=O)CN(CCC(F)(F)F)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1167641907 OLNAJLRVYILMLD-UHFFFAOYSA-N 417.388 0.931 30 20 HCED N#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 1171874595 LCDFFCPIBLIJNC-UHFFFAOYSA-N 410.471 0.518 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)Cc2nnnn2CC(F)(F)F)cc1 1321950847 QMJQCZQBYAMHFB-UHFFFAOYSA-N 402.358 0.338 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCc1cnn(C)c1 1360646237 NWRVGHUFBCQHNY-KGLIPLIRSA-N 408.532 0.993 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1505322193 KIUHJWDDBROXIN-HUUCEWRRSA-N 402.480 0.894 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC1 1541945541 IMOBBIISEQYLFF-GJZGRUSLSA-N 411.532 0.103 30 20 HCED C[C@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1545121776 XDQFQWYVOMVOOP-HNAYVOBHSA-N 405.478 0.677 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C2)c1 1621177088 QWTBNVJUYYAEMD-CQSZACIVSA-N 413.434 0.623 30 20 HCED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)C2CCOCC2)CCN1Cc1ccccc1 1681278835 MONZGGXLJCWAOZ-GOSISDBHSA-N 420.535 1.000 30 20 HCED CCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1728589034 RJIHQYJMRPPLDA-BBWFWOEESA-N 422.555 0.783 30 20 HCED N#CC1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1731186851 YXOHWFRCWOVSOF-UHFFFAOYSA-N 417.495 0.415 30 20 HCED CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1745778374 NMULXWWUDYOTCT-AWEZNQCLSA-N 412.454 0.570 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC(C)(C)O 1767390121 QSJSADMWBADFCQ-UHFFFAOYSA-N 406.512 0.963 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777832741 JQNGTRISWJCGAZ-KRWDZBQOSA-N 406.393 0.779 30 20 HCED Cc1noc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779103831 BUQCKFOTCLHLDC-SMFJMBPBSA-N 421.454 0.279 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1779109472 NYNAMCUFELGWDS-HEHNLYSKSA-N 422.526 0.831 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1779109524 ONMAALIMJYOVAO-KYPGUPDXSA-N 409.483 0.772 30 20 HCED Cc1ncncc1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779669920 YBTGHJGDOOUVRI-XILVHTRDSA-N 417.466 0.758 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963182 HCYSJZUKOUTWOV-OXQOHEQNSA-N 417.441 0.588 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)CCO2 1783112769 VPXYAOKGRCODDK-HLBODDRNSA-N 408.524 0.831 30 20 HCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C(F)(F)F 1783201033 PPXDRDIAFGAYRD-IAQYHMDHSA-N 412.430 0.616 30 20 HCED C=C(C(=O)N1CC[C@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1)C(F)(F)F 1783210419 ATPOWBQVYUTMMQ-HNNXBMFYSA-N 408.446 0.419 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(OC)c1 1783564953 DVDAUUQWPWHAKA-HXUWFJFHSA-N 402.403 0.235 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1784504717 VXXIYJPJZZXBNA-CMVIXEIWSA-N 405.495 0.392 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3CCN(C)CC3)C[C@@H]21 1784505222 GMUCQYDSHAXHMY-WPVAHCMFSA-N 422.570 0.193 30 20 HCED COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376147 MLKKCUWAIDWCGF-OAQYLSRUSA-N 415.446 0.720 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1785521744 QBPLPNHVMPHETO-NRFANRHFSA-N 422.526 0.687 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785869212 PPCSNGUZARKCDA-DNUAJFIVSA-N 407.536 0.933 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=N)N)[C@H]3C2)c1 1786809226 HKTLNLIBECAFRD-MGHWNKPDSA-N 412.494 0.390 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NCCC)C[C@@H]21 1788570282 QHPCGDCXXDQTSE-XLAORIBOSA-N 423.554 0.846 30 20 HCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)c1 1789511378 TYKORPDDHHWCHL-BZSNNMDCSA-N 422.441 0.077 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1793342973 CSZNRBGYLRSLNS-VXIBKDFQSA-N 423.473 0.509 30 20 HCED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793375806 ANQOPMWBHMEDRZ-NPHWRPIJSA-N 404.467 0.203 30 20 HCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 1794005106 LYTHBMCQSOWUQT-HGKCTWBKSA-N 424.417 0.566 30 20 HCED COc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274831 WVKHKFRJWFRMBJ-IZZQQSIFSA-N 406.442 0.740 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(Cl)c4nncn4c2)C3)CC1 1795410971 CDBCUVQGIGJSJM-AGGWBTHJSA-N 414.853 0.890 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccccc2-n2nccn2)C3)CC1 1795411771 RRTSFUKVVOCJBK-JLVBRIDZSA-N 406.446 0.774 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC)cc1 1795558535 JLICTVJPBNMPRP-VKDSVZAHSA-N 412.490 0.790 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795677950 JWUXWDCYBVJAAM-RDGCENLJSA-N 400.479 0.099 30 20 HCED Cc1nc(N)sc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797741051 VIDOFHYNAMAZIZ-UYGMDLRCSA-N 420.539 0.709 30 20 HCED CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816297 ISNBLVDCOLCKLT-FQVJVBGASA-N 410.515 0.445 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1800219597 MVGSTVQGQDGPOB-JONQDZQNSA-N 404.467 0.741 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H](C(=O)OC)C1 1800964892 SUPYPONWGQHBCB-MJJLTSLDSA-N 420.506 0.594 30 20 HCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2 1802020653 WWLUPJVWHRJJNH-XGUBFFRZSA-N 422.482 0.995 30 20 HCED N#CC1(C(=O)N2CCC3(CCCN(C(=O)c4cc(=O)n5[nH]cnc5n4)C3)CC2)CC1 1809963818 VBCJFACYXOJOPK-UHFFFAOYSA-N 409.450 0.566 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]2c2cccnc2)c1 1811536184 QWNPAQJZRRWCOH-BXWFABGCSA-N 423.477 0.194 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)COc2ccc(O)cc2)[C@H]1c1cccnc1 1812873799 PEYFFHWNANDFEK-ZHRRBRCNSA-N 423.425 0.960 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ncc(Cl)cn2)[C@H]1c1cccnc1 1812876703 VHEKSECAMNFLSV-DYVFJYSZSA-N 413.821 0.933 30 20 HCED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)CCC1 1814814317 ZHEYPMHUFUFLCJ-MNOVXSKESA-N 404.496 0.342 30 20 HCED CC(=O)NCC(C)(C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1815342652 KFWQUJCXDJAVLY-AWEZNQCLSA-N 403.439 0.652 30 20 HCED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815773766 WKJRLXOIWZBINY-KBPBESRZSA-N 400.439 0.803 30 20 HCED CNC(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819900819 PZNSXYOXUNHPDW-BHSFVVSZSA-N 423.495 0.720 30 20 HCED CC(C)(C#N)C(=O)N[C@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032983 SOPKZIJNJZHZEI-VIFPVBQESA-N 413.463 0.808 30 20 HCED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)[nH]n1 1821876463 XXJQAQONWJKHSG-KBPBESRZSA-N 405.455 0.921 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](COC(C)=O)OC(C)=O)CC2 1828095244 WMXVXQXHLUWNHL-ZFWWWQNUSA-N 421.475 0.963 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1830049224 ARNOINAZOBIPNJ-GOSISDBHSA-N 406.395 0.808 30 20 HCED CCOc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830053265 JZYSDWQLSKPIKR-HXUWFJFHSA-N 417.466 0.495 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1830414445 FLRSTRCASVJNCA-RYQLBKOJSA-N 423.558 1.000 30 20 HCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)C 1831215990 DLDPNSLDTJUXCW-FPOVZHCZSA-N 406.479 0.444 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1831424939 OIFUJBMLXYTTRW-UGSOOPFHSA-N 410.496 0.386 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1831424997 QDGSHVIZPYPJFU-MGPUTAFESA-N 406.483 0.633 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1831425649 VZPRLBVSGCRVAA-DYVFJYSZSA-N 420.409 0.144 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1831427498 WRRSWYXWOGTUHT-KKSFZXQISA-N 418.494 0.490 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)nn1C 1831486415 XHXRJWSMGTWUIK-APWZRJJASA-N 410.540 0.753 30 20 HCED CC(C)CNC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831486991 IOLXMTDOOISIBA-BEFAXECRSA-N 415.556 0.169 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831880480 QIPTVBMPVZVVBU-HXUWFJFHSA-N 401.467 0.492 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccco3)CCO2)C1 1833069340 ODYZDMIXJFNFHC-QDYDYXSASA-N 402.447 0.788 30 20 HCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1833691307 RNTXZWPSHRYYPM-UHFFFAOYSA-N 415.538 0.970 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833808215 INAHIEKFBWQFIH-FOIQADDNSA-N 404.467 0.446 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834121644 KWDUYBYYQKCOGS-OXQOHEQNSA-N 421.498 0.599 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1834165712 UBUJKOYTDMJKBA-OAQYLSRUSA-N 402.495 0.992 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1834400429 SRGSUNRGEOMZCI-UHFFFAOYSA-N 423.477 0.188 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCC(=O)OC)CC2)CC1 1834431458 DISSYJBNVMSSNW-MRXNPFEDSA-N 407.511 0.550 30 20 HCED CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1834754089 KZDPLQOZZHTLIQ-AVRDEDQJSA-N 414.458 0.725 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ccccc1)CCO2 1835093400 BEAJLPLKEUSELA-HXUWFJFHSA-N 418.471 0.323 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1835179155 FCVKXFJBUOWPKX-OAQYLSRUSA-N 415.446 0.718 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1838906306 FZTOPGNWRGUZEC-NRFANRHFSA-N 423.429 0.438 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1838906501 MXWOOENKFRNVCD-JOCHJYFZSA-N 421.457 0.661 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)cc3)C2)C1 1840044446 XKIKGFZDYDTALW-NRFANRHFSA-N 418.421 0.303 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840160209 AUSKPAWTQGMGLP-YWMUFLPLSA-N 419.547 0.476 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN(C)C)C3)C2)c1 1840713626 NBLCOMMJBMVMRP-VGOFRKELSA-N 414.506 0.945 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1840840750 KWVKSPNIQFEMGI-QFIPXVFZSA-N 410.474 0.747 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnn3cc(C)cnc13)C2 1841055103 VJCYYSCWZNMFOE-WAYWQWQTSA-N 408.462 0.713 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1841580042 XAQPTZKQPAZYRD-OAHLLOKOSA-N 418.519 0.632 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1841609434 CQPSMDLWVLLMMH-AWEZNQCLSA-N 401.467 0.425 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)c(O)n1 1842297910 HDQKPWUIAFDCRN-UHFFFAOYSA-N 424.457 0.648 30 20 HCED O=C1NCCn2nc(C(=O)N3CCCC34CN(C(=O)C/N=C/c3ccco3)C4)cc21 1842563634 LWXIDYAZLCDBDO-UFFVCSGVSA-N 410.434 0.156 30 20 HCED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)c1ccccc1 1842945530 CNICYRCAQCWIKM-RTBURBONSA-N 410.518 0.980 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCCS3(=O)=O)C2)c1 1845913885 GNYFIDHKIJHQHN-QGZVFWFLSA-N 417.487 0.961 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)c1Cl 1848067913 UPJZKICZSCGMNI-KBPBESRZSA-N 415.837 0.579 30 20 HCED N#Cc1ccc(CN2CCCN(CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)cc1 21406475 HDZJSTOUIZLYNZ-UHFFFAOYSA-N 422.489 0.716 30 20 HCED CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409493407 JHSUVFJLMUCNGK-OTWHNJEPSA-N 413.588 0.725 30 20 HCED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441755414 UYMFKIJDRZPYRQ-UHFFFAOYSA-N 411.384 0.796 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)NCCN2CCCS2(=O)=O)CC1 446524772 VXUVPBRCHSUWEA-UHFFFAOYSA-N 407.496 0.978 30 20 HCED Cc1ccc(-n2nc(CCCNS(=O)(=O)[C@@H](C)C(=O)N(C)C)c(C#N)c2N)cc1 447761697 XOVNRRAVVYHXHA-AWEZNQCLSA-N 418.523 0.963 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C#N)cn1CCOC 460116998 YXIBJRSFUYGLJK-QGZVFWFLSA-N 412.468 0.882 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 461550376 URLVNEOPDACNJG-MRXNPFEDSA-N 421.523 0.992 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 470993524 CRLTZMJZYBAHEC-BBRMVZONSA-N 409.402 0.833 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)[C@@H]1c1cnn(C)c1 472437488 MGOXALGUVHEWBC-YZGWKJHDSA-N 409.446 0.790 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 477667002 NFRNXXNSICJBAT-XZOAIXRZSA-N 416.459 0.972 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](CN2CCOCC2)C1 482381082 PYYRQMWTRNTKIL-DOTOQJQBSA-N 406.508 0.406 30 20 HCED COc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(N)=O 486009721 RJYKBWVMBGDWKH-KRWDZBQOSA-N 422.441 0.962 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 487203881 DHGSOVWDTBNKJL-UHFFFAOYSA-N 417.491 0.640 30 20 HCED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489294048 PZZLZMVXKVMGMN-VXGBXAGGSA-N 424.548 0.671 30 20 HCED Cn1cc(CN2CCN(C(=O)CN3CCOCC3)CC2)c(-c2ccc(C#N)cc2)n1 491114933 WPWWMXVIKBEDJI-UHFFFAOYSA-N 408.506 0.935 30 20 HCED C=CCc1cc(C(=O)N2CCN(CC(=O)NCCOC)CC2)cc(OC)c1OC 496150982 MRPGJHMUPHGKAJ-UHFFFAOYSA-N 405.495 0.953 30 20 HCED Cc1onc(CC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)c1C#N 500664874 NHWNKDGTWKSTSD-UHFFFAOYSA-N 417.491 0.650 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 502048886 HNUOTTNVVXFRLZ-UHFFFAOYSA-N 405.483 0.746 30 20 HCED CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 503410969 ZAOXNQKRVHUAGL-UHFFFAOYSA-N 406.446 0.877 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCN1Cc1ccccc1 513039778 CGNTVGMJBSLKSL-SFHVURJKSA-N 416.445 0.837 30 20 HCED C=CCN(C(=O)CCC(=O)N1CC(=O)Nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 517764608 MMJBIBUEGPRRIP-CQSZACIVSA-N 405.476 0.954 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(-n4cccn4)nc(N)n3)CC2)cc1 536767639 LGGLCWFNUBXRRE-UHFFFAOYSA-N 410.463 0.627 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2)CC1 538233359 SSSNUOUUQYWLOZ-INIZCTEOSA-N 422.532 0.621 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 540010794 WIDWNMQKOFITSP-UHFFFAOYSA-N 422.507 0.526 30 20 HCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 551192425 QWNIEKNSZZEWCT-UHFFFAOYSA-N 420.473 0.871 30 20 HCED CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 551444547 XRFCLFCJYWGMCL-BBRMVZONSA-N 417.441 1.096 30 20 HCED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 552658595 OSVNNJQVTHRVDJ-WBVHZDCISA-N 406.508 0.814 30 20 HCED CN1C(=O)COc2cc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 556389934 HNNXYWDOOHBJJP-UHFFFAOYSA-N 420.429 0.596 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 558290051 CYDYMNDSYGCOPJ-IAGOWNOFSA-N 412.494 0.365 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2c3c(cccc3C(=O)OC)NC(=O)[C@@H]2C)C1=O 558292332 DXMFKEGHBPKICJ-JTQLQIEISA-N 414.374 0.124 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCN(c2ccccc2)C1 559914084 GZCPCOWXACYBFT-HNNXBMFYSA-N 409.494 0.897 30 20 HCED Cn1nc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C1CC1 564559864 ZUHBUHHCXWAIOJ-INIZCTEOSA-N 406.446 1.419 30 20 HCED CCC[C@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 583106840 UNQYRCMHWBBDFK-XMSQKQJNSA-N 412.490 0.929 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cn2)cc1 588708264 OXFCAPGQXKUINZ-UHFFFAOYSA-N 402.374 0.964 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(C(N)=O)c2)cc1 608826037 ZGGHFCNZRFNFHH-UHFFFAOYSA-N 400.460 0.950 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cn2)c1 615305884 AYMVHIDIFJISRH-OAHLLOKOSA-N 415.431 0.573 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 618842251 KIMGRXJVNYTPEI-GOSISDBHSA-N 411.462 0.258 30 20 HCED C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCNS(C)(=O)=O)c1 726406140 UNWXIZFBOFJVJR-OAHLLOKOSA-N 422.532 0.675 30 20 HCED CN(C)C(=O)[C@@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 727382014 FHCUILDLZFBJFH-ZDUSSCGKSA-N 410.521 0.495 30 20 HCED CCC1CCC2(CC1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 731861529 DWQBDKPXMJBDDA-MSUUIHNZSA-N 417.466 0.520 30 20 HCED N#CCOc1ccc(CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 732363180 DJIPQNDOTUMSRG-UHFFFAOYSA-N 403.416 0.961 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)cn1 732662902 CVYMBWQEQVDSSB-UHFFFAOYSA-N 415.544 0.540 30 20 HCED COc1ccc(Cn2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)cc1 732909012 VTYCYARYLWDFSR-KRWDZBQOSA-N 416.459 0.519 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(C)CCOC2)cc1 733668169 TXSTTYASYJSCFB-OSEFQUDUSA-N 422.507 0.981 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)C(=O)C1 741375806 ZLQANGUUONQMMC-QGZVFWFLSA-N 416.434 0.707 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 742908139 UUNAKVQISQZKDZ-CXAGYDPISA-N 415.475 0.255 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496752 PAGQWJZANXKSKU-RYUDHWBXSA-N 422.463 0.447 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)CC1 747820254 QRCMHJSBIWYPGN-UHFFFAOYSA-N 400.479 0.554 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 748321164 HBXWHXNGUGSASG-HNNXBMFYSA-N 403.508 0.857 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 751529809 GDMJCDWWWJEGQH-UHFFFAOYSA-N 414.409 0.633 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 756893578 VQIAXBQXWKMNGX-LNSITVRQSA-N 421.479 0.592 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 761032497 IWOZAJGXXFKHCA-INIZCTEOSA-N 421.523 0.425 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 765156422 TVKFNJSVUFTKBO-NXEZZACHSA-N 416.481 0.967 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)CC1 766981529 YEEGNXGKYJSJQU-UHFFFAOYSA-N 415.493 0.433 30 20 HCED COc1ccc2ccccc2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771896483 ADLDIMWPTABOMG-UHFFFAOYSA-N 402.432 0.558 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O)c1cc[nH]n1 772540624 JVHZRACEXCGYFR-CQSZACIVSA-N 403.370 0.364 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 773947081 ACQIYFPCCBTDKE-ZDUSSCGKSA-N 409.464 0.135 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 773947097 ANUOSBVVKNYYBX-INIZCTEOSA-N 400.479 0.778 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCC(O)(c2cccnc2)CC1 787757217 CPXBBJKFNKWOAF-UHFFFAOYSA-N 408.462 0.823 30 20 HCED CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)=NO1 788661543 MBEHGVFHCFGAFF-NLPIWRNCSA-N 407.427 0.299 30 20 HCED CC(=O)Nc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 788782968 MTURBNIWCXHEBK-UHFFFAOYSA-N 401.448 0.785 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1F 791287211 CKSZNDFDFVIXHD-UHFFFAOYSA-N 403.439 0.963 30 20 HCED N#C[C@@H](C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cnc2ccccc2n1 792100644 NRTCOSCSYJHKBM-CHWSQXEVSA-N 411.443 0.972 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CO)[C@H](O)C1 798995953 IBFVSAKWJAWEQU-VNQPRFMTSA-N 409.508 0.342 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1nnnn1Cc1ccccc1 807631158 GHBWTBXJAPZTQL-UHFFFAOYSA-N 412.431 0.615 30 20 HCED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 808281379 FQCJAXBQCBWNQK-UHFFFAOYSA-N 418.493 0.342 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 814545033 QBJIWHLRLLSYHC-KRWDZBQOSA-N 408.476 0.098 30 20 HCED C=CCNC(=O)NC(=O)CNC[C@]1(C)CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1C 1182150428 USULXEBXFUOEIT-NAVVGEMLSA-N 404.511 0.496 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1nncn1C 1288802711 QYKIOMNIXLGASV-LBPRGKRZSA-N 407.504 0.195 30 20 HCED CNC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299252148 RNLNSBFFPQWXKM-UHFFFAOYSA-N 413.530 0.853 30 20 HCED CNS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1315072952 JRDQJTMUCADTTH-INIZCTEOSA-N 420.495 0.178 30 20 HCED CN(CC(=O)NS(=O)(=O)c1ccccc1C#N)C1=NS(=O)(=O)c2ccccc21 1317921893 HKFRIXDIGBPKJH-UHFFFAOYSA-N 418.456 0.444 30 20 HCED N#Cc1cccc(-c2nnc(CN[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)o2)c1 1322862064 LPYVCZMZZLPZAZ-HOTGVXAUSA-N 403.464 0.196 30 20 HCED Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1325130527 UIWMBWPDLCFCKP-FEDOZNFBSA-N 411.487 0.977 30 20 HCED COC(=O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 1347772201 CSZUXQSQZNXWEE-SJKOYZFVSA-N 416.459 0.929 30 20 HCED N#CC[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 1353643353 JDUZJRARZCWRQJ-OAHLLOKOSA-N 416.459 0.909 30 20 HCED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1512669352 CVDGAXQBJMHOTL-CPUCHLNUSA-N 414.532 0.368 30 20 HCED CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1512700589 XDKWGYMFQXLFQJ-SZOQZIPDSA-N 414.532 0.414 30 20 HCED CC1(C)CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1541999883 KVGFBLKBLXIANY-CLCXKQKWSA-N 423.539 0.850 30 20 HCED CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1565691171 XORIZCYCUXYXTK-CJNGLKHVSA-N 424.548 0.899 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCS2(=O)=O)n1 1612212980 XCRHOKIQULOQQL-HNNXBMFYSA-N 417.495 0.413 30 20 HCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCOC1 1619453256 MOYZVWINRSTJSW-MGPUTAFESA-N 415.450 0.746 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CC[C@H](O)C1 1631345187 XGONXNLXHROWEP-HOCLYGCPSA-N 408.524 0.323 30 20 HCED C[C@](CO)(NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1643767690 MVXZDNPWPFVQIC-LJQANCHMSA-N 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CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836044461 YKANIZXHNTZEKZ-HNAYVOBHSA-N 424.523 0.943 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C(F)F)no4)CCO3)C2)CC1 1836243031 BXSMSJPGKGCLOG-SFHVURJKSA-N 410.377 0.986 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836824661 VNOZPGRBTMEGED-HXUWFJFHSA-N 419.522 0.550 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oc(C)nc3C)C2)C1 1837398553 DGDIDLFHJQLTRQ-KKSFZXQISA-N 421.494 0.935 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1837399580 WRPKRABAJLRPOX-IERDGZPVSA-N 418.494 0.428 30 20 HCED Cc1c[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443613 MCTDAGHFQBBHAC-GWJNGDFSSA-N 417.510 0.865 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1837524465 BPHVCLSYWJFKRP-VBFVGENYSA-N 422.438 0.274 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837693147 IMNBRJAECHHQHC-UTKZUKDTSA-N 423.510 0.116 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795646 APOHYNVUOQWMMU-HXUWFJFHSA-N 409.483 0.905 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1838384593 GHASIQPQKQNGRJ-YJBOKZPZSA-N 409.527 0.693 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)c1 1838950219 OCLSBXFRXZSMMO-QFIPXVFZSA-N 423.473 0.833 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839238473 OYCILEPEVWAEEY-QUCCMNQESA-N 424.567 0.980 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1839647939 JBRPUQDUDHPYSB-NDVAJVOFSA-N 424.498 0.284 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1839809384 MEUFDJZJZHPJCC-HXUWFJFHSA-N 401.419 0.568 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1839846646 ZAVXPWUMZXJFPI-JXFKEZNVSA-N 408.495 0.998 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(CC)COC3)C2)C1)C(F)(F)F 1839894756 PUEZZQRPKWLUDA-KRWDZBQOSA-N 406.401 0.988 30 20 HCED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1F 1840157825 BLZSVUSZYPAEFB-SGTLLEGYSA-N 413.471 0.618 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1840166504 MGPWHYMUIUFODK-SIKLNZKXSA-N 421.538 0.797 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269349 ZJMOOBUIYMSXIG-WOIUINJBSA-N 424.538 0.977 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840295282 GTSREKYYBKKYIJ-NRFANRHFSA-N 416.478 0.505 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814406 HTWBPLVDYTVMCQ-UZLBHIALSA-N 416.482 0.064 30 20 HCED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)Cc2ccc(C#N)cc2)C3)CC1 1842826917 PVJHSCGFQDLGLO-UHFFFAOYSA-N 409.534 0.942 30 20 HCED O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283094 NQFAMQSLPFATBU-UHFFFAOYSA-N 401.423 0.834 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2)C1 1844894842 SZRVKHHJUMVXOF-GOSISDBHSA-N 413.430 0.870 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)N1CCN(C)CC1 1845098998 RQTWLKCWYMNVEL-KPQBVPQESA-N 421.542 0.355 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845109235 LNURDAWQEIHYKV-JKSUJKDBSA-N 405.495 0.831 30 20 HCED CCNC(=O)CN(CC)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 8309610 WOAGHCIYLFHUFO-UHFFFAOYSA-N 409.512 0.554 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 27771336 ZJDUCMMFYVPJSJ-AWEZNQCLSA-N 404.467 0.862 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 55725496 NAOIKDYFXKFLSV-UHFFFAOYSA-N 414.487 0.954 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 426709135 BAGDIBSZVZRXEP-AWEZNQCLSA-N 414.441 1.389 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434763256 DTZHCALPKVQPPH-UHFFFAOYSA-N 402.499 0.722 30 20 HCED C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 435949490 MLBJXAOIAIUGOG-FZMZJTMJSA-N 404.872 0.867 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCCOCC3)CC2)cc1 438693214 SCANRZIRMUXKBT-UHFFFAOYSA-N 420.535 0.797 30 20 HCED C=CCc1ccc(OC[C@H](O)CN2CCS(=O)(=O)C[C@H]2C(=O)OC)c(OC)c1 439443306 ACEADZFOFYMFPH-CVEARBPZSA-N 413.492 0.435 30 20 HCED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 439560024 FXHCCPWOINQCEE-UHFFFAOYSA-N 400.414 0.612 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1 447358696 ZRULCKSMSUSGES-INIZCTEOSA-N 407.492 0.967 30 20 HCED N#CCN1CCC(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 464790037 AMMCMLDZRAXPNZ-IBGZPJMESA-N 424.505 0.888 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)s2)c1=O 477455582 VIRYEFCMHHISLQ-UHFFFAOYSA-N 419.528 0.822 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1C 483915984 ASXHLNJWOSOSAS-KRWDZBQOSA-N 424.461 0.540 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(-c2ccccc2)c1=O 489028170 UTCMGJRAMQEKKR-CQSZACIVSA-N 406.467 0.741 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 496131850 YEDAZKJBQLDLMO-CRAIPNDOSA-N 420.535 0.984 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)c1 500539834 RCYHNCOLMWVMOD-UHFFFAOYSA-N 405.436 0.226 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 501851612 PDWSPXRVZJBDKR-INIZCTEOSA-N 421.523 0.295 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 507543002 GNWKHWPAKUVHCQ-UHFFFAOYSA-N 422.488 0.657 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2cccc(C#N)c2)c1 511199899 LLWBKMLIEQXBSG-UHFFFAOYSA-N 401.448 0.904 30 20 HCED C=CCN(C(=O)CCNS(=O)(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 521129042 YXMJFNDBGBVMLZ-ZDUSSCGKSA-N 404.485 0.696 30 20 HCED CN(CC(=O)N1CCC[C@@H](Cn2cncn2)C1)S(=O)(=O)c1ccc(C#N)cc1 523399259 KXAUMWFRMWVHIO-MRXNPFEDSA-N 402.480 0.709 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 523553392 AUNPQPRZNSJEFJ-KRWDZBQOSA-N 402.480 0.330 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)cc2)c1N 524296735 ISDQEEVHFSNYPO-UHFFFAOYSA-N 417.429 0.471 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(F)cc1F 527339686 OSDCTJHJQWQWPP-UHFFFAOYSA-N 420.376 0.958 30 20 HCED C=CCN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1CCS(=O)(=O)C1 531936556 WNBBLQGSFBSLOJ-MRXNPFEDSA-N 421.523 0.107 30 20 HCED CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C)nn3CCC#N)cn2)CC1 533457316 DFGAKFHWQPKTLA-UHFFFAOYSA-N 424.509 0.897 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)cc1 537818699 SYWCPRHHSSAUKG-HNNXBMFYSA-N 401.510 0.305 30 20 HCED N#Cc1cccc(OCCCCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c1 541589216 ALRXTVCJRRCQHB-UHFFFAOYSA-N 418.479 0.759 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)C(C)C 551217173 JSMISTSDVNVPLT-SFHVURJKSA-N 400.527 0.940 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)nc1 555689725 IPGNCTRCTOVZGP-HXUWFJFHSA-N 418.501 0.993 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccnc2OCC(F)(F)F)C1=O 556003047 ULMSBDDDKGHVNQ-ZDUSSCGKSA-N 414.384 0.884 30 20 HCED N#CCCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ncccc3C(F)(F)F)[nH]2)[nH]1 556181553 ZIHLWZPKZFLWCL-UHFFFAOYSA-N 418.339 0.817 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccnc(OCCN(C)C)c2)CC1 557756671 RPEGHJVRNQFEFS-UHFFFAOYSA-N 403.527 0.795 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 558121063 AKNWFIVORCVQQD-OAHLLOKOSA-N 423.539 0.985 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 560427709 VKILPMYHJHAZPC-UHFFFAOYSA-N 424.482 0.417 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCn2cc(C(=O)O)nn2)c1 562387046 LCKVFDBISLIMHM-UHFFFAOYSA-N 400.214 0.589 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 567391386 CKVOYDOPTYMFTG-INIZCTEOSA-N 405.524 0.355 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 571801446 MUXVRMCTPQBNGV-DHXZDTOLSA-N 403.483 0.436 30 20 HCED COCC[C@@H](COC)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 572590769 MTGBLHRDNUNTDI-ZDUSSCGKSA-N 405.842 1.504 30 20 HCED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 572743688 JHTHRTFBHAPJDU-UHFFFAOYSA-N 400.407 0.121 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(N)=O 573040479 HJFMVTGBSGYZKS-UHFFFAOYSA-N 416.478 0.262 30 20 HCED CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cncc(C#N)c1 580248979 XZNJTGGVONDDGV-HNNXBMFYSA-N 400.526 0.473 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2OCC)CC1 580795134 GQWCCOXUSRBMPR-UHFFFAOYSA-N 402.495 0.456 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1F 582858369 FBMBEMFLAGFIME-UHFFFAOYSA-N 410.413 0.935 30 20 HCED COc1ccc(CCNC(=O)C(=O)NC2CCN(CC#N)CC2)c(OC)c1OC 585780292 ZAMFTRGXPJBHDX-UHFFFAOYSA-N 404.467 0.475 30 20 HCED Cc1cnc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1 588870376 ZZJJFAOTBIHPLU-QGZVFWFLSA-N 406.446 0.233 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CCO1 609404573 HSYZBMPKVBRSIH-NSHDSACASA-N 405.212 0.719 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)c1 609686690 UMJOBCYLTONDHN-IBGZPJMESA-N 413.526 0.191 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 610700751 KUQLRIZPEBJMEW-LBPRGKRZSA-N 421.417 0.355 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 610700764 RBMAKSWDJYVMCM-CQSZACIVSA-N 421.461 0.313 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 617884270 ZMFDKJAHJCFUSC-UHFFFAOYSA-N 405.436 0.202 30 20 HCED Cn1cc(CN2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)cn1 729988684 LTAMTNIDBMBEBH-OAQYLSRUSA-N 407.478 0.834 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 730271949 FTERFYLXYRADFH-KRWDZBQOSA-N 420.491 0.834 30 20 HCED CC(C)NS(=O)(=O)c1ccc(NN=C2CCN(CCN3CCOCC3)CC2)nc1 731558938 MQRCXHSVBGMIRX-UHFFFAOYSA-N 424.571 0.964 30 20 HCED C[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 733565885 XERNVXOIXFRQFY-MRVPVSSYSA-N 404.404 0.399 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NC3CCCC3)CC2)cn1C 733681320 SUPKGCKCJQFRGV-INIZCTEOSA-N 421.523 0.897 30 20 HCED 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423.510 0.887 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1831499287 TWOGLMOZSFPRJK-PABLAQFASA-N 408.524 0.834 30 20 HCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)no1 1832783675 NMAQESAKLGDHLB-HXUWFJFHSA-N 419.482 0.742 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CN4C(=O)CNC4=O)CC3)CC2)C1 1833046327 RYYAQQDGTJPXQZ-UHFFFAOYSA-N 417.510 0.076 30 20 HCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833143390 KOWHFTWAWMIGCK-UHFFFAOYSA-N 403.527 0.243 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C)nn3C)CC2)CC1 1833463626 RFYOCXHHDBTSSJ-QGZVFWFLSA-N 415.538 0.952 30 20 HCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1F 1833479381 KROMQVGJVSHRGV-HXUWFJFHSA-N 420.441 0.849 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833566563 JLSIYODSRXTQFA-IBGZPJMESA-N 421.429 0.402 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833636721 ARXRBZHROGDSFR-GOSISDBHSA-N 410.377 0.667 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)cn3)CC2)CC1 1834284977 RKWCNDHFSXWDJI-INIZCTEOSA-N 401.511 0.644 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834702219 LSAWFKGUTYNHMN-HTAPYJJXSA-N 414.458 0.364 30 20 HCED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1834710431 UJUYHPUGYAJHRZ-FQEVSTJZSA-N 404.850 0.737 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835406133 UVKHRCNXQGKALO-NRFANRHFSA-N 423.510 0.048 30 20 HCED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835883484 GURYCLVCQGRHMY-HSZRJFAPSA-N 413.518 0.883 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836506280 XRPUWVFMLTWFGQ-JLMWRMLUSA-N 416.522 0.620 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1837401219 VWQXIAVJUZHEAR-OXJNMPFZSA-N 406.483 0.361 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837552194 CICGOUILWUVFKV-QNIGJGFBSA-N 417.462 0.491 30 20 HCED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838596156 RMSKSCOZKDFKJT-VBKZILBWSA-N 420.897 0.876 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1839173281 HLLSXBSOZZEDBC-OAQYLSRUSA-N 424.494 0.379 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1839222820 BQJIKBOLMKXAPO-GUYCJALGSA-N 411.484 0.409 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839223561 ZSLQIZKVKYMRPE-UZLBHIALSA-N 421.498 0.600 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4c(O)cc(O)cc4O)CCO3)C2)C1 1839370897 OFUWXHKICDNCQD-OAQYLSRUSA-N 418.446 0.840 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840160895 XDZHNRIUXDCKNX-FZKQIMNGSA-N 405.480 0.118 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1840169844 SLYOPXMOKYTJJD-JXFKEZNVSA-N 410.467 0.808 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269067 LAELIZKVDGMAMU-NEYJZJCJSA-N 408.495 0.032 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1840292410 NYYBXFCLFZFOEV-JOCHJYFZSA-N 421.538 0.359 30 20 HCED C[C@H](Cc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840301214 HOFJAVJXSDFWRH-VGSWGCGISA-N 414.458 0.410 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840855794 URKIZKOXVZMZIX-RXVVDRJESA-N 407.511 0.551 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc3snnc3c1)C2 1841054801 FMKHEHCDMXZLMF-PLNGDYQASA-N 412.475 0.762 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 26016364 FYJHVLMTQRIDMH-UHFFFAOYSA-N 423.458 0.681 30 20 HCED CCN(C(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 29246389 MKCUAQOTXXVCJI-OAHLLOKOSA-N 421.523 0.581 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 55245597 IDDRNUYHVULSET-CQSZACIVSA-N 415.537 0.552 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 409572903 DNCMAUXSMJGCAP-LBPRGKRZSA-N 412.476 0.638 30 20 HCED COC(=O)C[C@H]1CN(c2ccc(C#N)c(N3CCO[C@@H](CC(=O)OC)C3)n2)CCO1 436393696 VBPPWHMIRGDZPH-HOTGVXAUSA-N 418.450 0.490 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)n2)c1 440287560 AFDQSYOIPIGTMU-GFCCVEGCSA-N 405.461 0.510 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCSC[C@H]3CO)n2)c(Cl)c1 440676206 SXHFWUNDXVCESC-GFCCVEGCSA-N 405.867 1.272 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 442403523 GGCDIWWXFRKKSZ-CQSZACIVSA-N 410.434 0.859 30 20 HCED COCc1noc(CN2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)n1 444218239 VKVRLCXEXOQOOU-UHFFFAOYSA-N 409.443 0.874 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1F 444501167 GDHVZKPZNAGHGJ-UHFFFAOYSA-N 412.425 1.167 30 20 HCED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 448511267 GHDLKKPMVCBQGY-UHFFFAOYSA-N 400.439 1.506 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cccc(N(C)C)n1 460712251 BCOCSNKTBCAXFO-UHFFFAOYSA-N 404.434 1.163 30 20 HCED CCN(CC)c1n[nH]c(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1C#N 463365209 DQINBCVQYCKWOW-UHFFFAOYSA-N 418.439 0.276 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 465071441 HGYISQOQXRLIIF-CZUORRHYSA-N 402.480 0.774 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 472356294 PTHNYWVKVHREJA-CYBMUJFWSA-N 415.479 0.344 30 20 HCED CC(=O)N[C@H](C)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 476272130 JUHSKMHDPAAOHR-KGLIPLIRSA-N 406.508 0.988 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480260018 VBEBVMXJSPDBHU-CYBMUJFWSA-N 414.443 0.153 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 481436651 NSSPPJSVMPCVGW-WFASDCNBSA-N 411.505 0.403 30 20 HCED C=CCOC[C@@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(=O)OC 481777498 JVDRJLKBCNVJLA-SNVBAGLBSA-N 403.229 0.975 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3C(=O)[C@H]4CS(=O)(=O)CCN4C3=O)C2=O)cc1 484471283 HWADXRXSXSMSKS-HUUCEWRRSA-N 402.432 0.115 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 485667469 AUCHSDIYDJPIGH-CQSZACIVSA-N 411.505 0.769 30 20 HCED COC(=O)C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 488247396 JGIMYSQFMDCPEN-IAGOWNOFSA-N 400.435 0.633 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)C2)nc1 488979245 MNXCSFKFYDNONZ-MRXNPFEDSA-N 407.496 0.835 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2CCO[C@@H]2C2CC2)CC1 494481760 HZQQSKVWHUIMSX-FXAWDEMLSA-N 418.519 0.548 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H](O)CN3CCOCC3)C2)n1 497022535 WRGYXXBFXNZMRN-OALUTQOASA-N 401.511 0.630 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1=O 500326700 FQKNCLLCCSSKMN-LLVKDONJSA-N 424.360 0.378 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 503675350 NSVUQCWNTUMFTJ-CQSZACIVSA-N 420.470 0.494 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(I)cc2)n1 511358470 FPKMKHUJTLBOCP-UHFFFAOYSA-N 403.205 0.733 30 20 HCED Cc1c(I)cn(CC(=O)NC2CCOCC2)c(=O)c1C#N 516999049 IZLCOZJPZZEUSL-UHFFFAOYSA-N 401.204 0.928 30 20 HCED CN(C)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 522084149 VMBDDKXGOQEIQP-GOSISDBHSA-N 419.551 0.417 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O 523002641 VIXGRNQPOPPKCV-GFCCVEGCSA-N 407.448 0.586 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 530843025 PWEGUCOFZCNKJK-UHFFFAOYSA-N 421.413 0.744 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCS(C)(=O)=O)c1C 534924859 AXNWFQMYUNGFST-UHFFFAOYSA-N 403.464 0.850 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(F)(F)F)cc1 535554059 KBRLDUJPEGUVDF-OAHLLOKOSA-N 423.413 0.861 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 537650861 BZAZLPIUWZUDQD-GFCCVEGCSA-N 402.436 0.429 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1S(N)(=O)=O 537668587 OGDXCULHSZWBGU-UHFFFAOYSA-N 420.422 0.651 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)C2)c(F)c1 545406132 SSKFRNRZAWSPSG-XJKSGUPXSA-N 400.414 0.612 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)c1C#N 555073492 FETGPTODXBGUOK-SFHVURJKSA-N 402.480 0.692 30 20 HCED CC(C)(C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1cc(F)cc(C#N)c1 556961640 PLGQJEJDVWKRBJ-UHFFFAOYSA-N 406.443 0.626 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)C2)nc1 557473772 DBSBTSYNKFFEDU-OAHLLOKOSA-N 401.448 0.697 30 20 HCED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 559023377 KKALOEKLUJPDAH-UHFFFAOYSA-N 414.514 0.236 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 560647313 NWDXJGUNKFYJPM-PBHICJAKSA-N 411.462 0.297 30 20 HCED COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 561976120 MTOSTYQAHKPDQP-QGZVFWFLSA-N 411.462 0.959 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CCn4ccnc4C3)CC2)cc1 564270333 DDGBAVOJAUTAIJ-LJQANCHMSA-N 406.490 0.920 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3ccccc3)C2=O)cc1 565512497 XYEJBLMJRFAGNZ-SFHVURJKSA-N 412.471 0.754 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCn2cc(CO)nn2)c1C 567089636 ARZONSROZAAPER-UHFFFAOYSA-N 422.449 0.590 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)CC1 568320831 NJHSHDZFLXLYDZ-MRXNPFEDSA-N 400.479 0.683 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CC1 588127540 KWKJUBFWZPRNNA-UHFFFAOYSA-N 403.527 0.732 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2nnc3n2CCCCC3)cc1 602331638 GUIXAOJXRCFBMG-UHFFFAOYSA-N 402.480 0.513 30 20 HCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 604168887 LKVOTFNDKJFNJQ-UHFFFAOYSA-N 406.446 0.909 30 20 HCED CN(C(=O)[C@@H]1CSCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1 604531362 GPRZBOAHKODEEF-INIZCTEOSA-N 407.517 0.995 30 20 HCED COCCN(CCC#N)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 609138801 ZWYYGNCWGATXHP-QGZVFWFLSA-N 410.452 0.301 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)cc1 613304148 LAWYBAZNPYWHNP-UHFFFAOYSA-N 416.459 0.871 30 20 HCED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 642188599 YZHJQZNRJNWJIS-CALCHBBNSA-N 400.545 0.159 30 20 HCED COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)CNC(=O)c1ccc(C#N)cc1 727010009 IQLHBMAOSDKIMA-SXGWCWSVSA-N 417.443 0.811 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2OCC)CC1 728531923 LXRHSTPIBBKENF-LJQANCHMSA-N 414.506 0.546 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 728534079 WRLGFLSEIAJTGE-UHFFFAOYSA-N 420.395 0.793 30 20 HCED C=CCOCC(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 729766664 TZYVYAAAVYBECF-CQSZACIVSA-N 412.464 0.780 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1=O 730407146 BICDNMGUCBYYAW-INIZCTEOSA-N 410.839 0.737 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 731188535 FUVAXTRVXQWGDO-UHFFFAOYSA-N 402.476 0.399 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@@H](C)CS(=O)(=O)CC)cn1 733202722 WJNCNJRSEQZXHK-WCQYABFASA-N 415.541 0.794 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(S(C)(=O)=O)o3)CC2)o1 733588666 SIXDMXPDVGCKFO-UHFFFAOYSA-N 422.419 0.357 30 20 HCED CC(=O)[C@H]1CC(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)=NN1c1ccccc1 733700537 YGBNGUTYTBKBJX-DOTOQJQBSA-N 416.459 0.176 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735294643 BWSVQURWWOMPBV-UHFFFAOYSA-N 423.454 0.093 30 20 HCED CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 739124841 WVUSQBGPWDAZKR-JPDJOPTESA-N 410.496 0.979 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 746499971 PSMPSXRTVAJZPS-UHFFFAOYSA-N 422.526 0.300 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)NCCCO)CC1 749671546 NDNZWAAHJVBDIT-UHFFFAOYSA-N 405.426 0.513 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 750414642 LPLKLSTXCWQUMU-UHFFFAOYSA-N 419.440 0.349 30 20 HCED CCS(=O)(=O)NCCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 753387909 HQVAVOZDHUELKK-LBPRGKRZSA-N 403.482 0.098 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc21 757596015 UQCYGROGBWUKTL-AAEUAGOBSA-N 415.454 0.877 30 20 HCED C[C@H](c1ccccc1)N(CC(N)=O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 758342473 COJOULKOCKGGKH-CYBMUJFWSA-N 400.460 0.800 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 761025584 WDOQZYLYTUOARE-UHFFFAOYSA-N 401.488 0.867 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc[nH]n1 772300950 TXXKZXFGCQLKSQ-NWDGAFQWSA-N 400.457 0.166 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 773947079 ACQIYFPCCBTDKE-CYBMUJFWSA-N 409.464 0.135 30 20 HCED C[C@H](O)c1cn(C2CN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 779559986 YNYIDVMVKZNFDZ-NEPJUHHUSA-N 418.479 0.232 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2nn(C)cc2C(=O)OCC)c1 783453144 IVGCKYVSQXQKTB-UHFFFAOYSA-N 411.418 0.614 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 783537186 XFTYIJHEAOWLCT-HNNXBMFYSA-N 400.522 0.804 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NC3(C#N)CCC3)CC2)cn1C 784218943 YXEATNPSVZKSSU-UHFFFAOYSA-N 423.495 0.235 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)NCC(C)C)c1cc[nH]n1 789965026 BICFRMBMMQBAKV-ZDUSSCGKSA-N 411.484 0.367 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2scnc2C)c1=O 794580632 ATWSOEFIIVVAKV-CYBMUJFWSA-N 419.528 0.820 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2occc2C)c1=O 794581186 FRBYAVVNUMEAEV-AWEZNQCLSA-N 402.472 0.956 30 20 HCED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc2c(c1)CC(=O)N2C 804568781 RGVYKKCUFDUAII-LBPRGKRZSA-N 423.477 0.651 30 20 HCED C[C@@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NCCN1CCOCC1 805968509 HDWLLYRHSCMYQA-WBVHZDCISA-N 418.469 0.904 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)CC2)cc1 815887143 VJTURADZKUJUJR-MUNYZGMTSA-N 422.507 0.811 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 917762624 VQTFUTSAIMWDJG-UHFFFAOYSA-N 404.517 0.447 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2nccnc2N)CC1 918950611 RXHLVEVHIARPRA-UHFFFAOYSA-N 423.389 0.684 30 20 HCED N#Cc1ccc(NCCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)nc1 921026341 UEFIPPPYQJGVEU-UHFFFAOYSA-N 420.520 0.861 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H]2C1 976969660 ODYQOSXEAWIHNH-PWSANPOYSA-N 404.507 0.982 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 1116175070 XMQRVVDLXLMHOW-MRCUWXFGSA-N 412.446 0.943 30 20 HCED CCCn1c(Cn2c(=O)[nH]cc(C#N)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 1189573901 GVLOBULLFNVRFR-UHFFFAOYSA-N 416.463 0.467 30 20 HCED CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1295074655 ZAQYWDXYJPLGSN-CQSZACIVSA-N 408.528 0.789 30 20 HCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC(=O)N1C 1305154715 LUPARRXPFTUWOJ-ZDUSSCGKSA-N 402.480 0.528 30 20 HCED Cn1ncnc1CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1344800440 DPNBEGBYQVXYIZ-UHFFFAOYSA-N 403.464 0.873 30 20 HCED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)cc1 1504231768 XHGSTLSDISTCGV-NQIIRXRSSA-N 413.478 0.952 30 20 HCED CC1(C)CN(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCO1 1542012208 KAHOYXQJHNFZAP-MRXNPFEDSA-N 417.514 0.354 30 20 HCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)C1 1596068608 WELABZFZBUXFAK-YZVOILCLSA-N 403.462 0.930 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2cnc(OC)c(C#N)c2)C1 1627438054 XFXGJDVJYLVBOV-HNNXBMFYSA-N 411.484 0.866 30 20 HCED N#Cc1nc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)ccc1Br 1672174161 JPRRPUXYGDXUHA-VIFPVBQESA-N 403.258 0.729 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CCO1 1696964889 RFPZYPWPNANWPZ-IRXDYDNUSA-N 412.450 0.183 30 20 HCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1712692562 YINGAWJFRSPTGA-IRXDYDNUSA-N 417.491 0.855 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1742654270 OYLOYRNNIKFSOX-PXAZEXFGSA-N 424.506 0.729 30 20 HCED CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750572744 QSLAKKFMGNGEPF-DOTOQJQBSA-N 401.515 0.731 30 20 HCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1764755439 PWOFOSUQNCMCTL-INIZCTEOSA-N 416.507 0.918 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC 1764997416 SZLKLWHGVCIIND-INIZCTEOSA-N 416.507 0.966 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1768243275 JZVGJNVHWHVHCE-UHFFFAOYSA-N 402.480 0.530 30 20 HCED CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C#N)CC1 1768529699 LZAMTJISBSXFNR-UHFFFAOYSA-N 403.512 0.895 30 20 HCED Cn1c(=O)c(C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nc2ccccc21 1777888533 OBWHGZBGECEZIF-OAQYLSRUSA-N 409.446 0.681 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1779105212 ROKNRJZHMVYWGU-MQXQUQPRSA-N 422.526 0.831 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106293 ZWQWEAQAZPIIQY-FEDDJGJRSA-N 410.515 0.719 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1781050073 VXNCNLNGPLTURN-FQELHTAISA-N 423.510 0.757 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1781392023 ZFUXYQVCPLLFDS-RXVVDRJESA-N 423.558 0.255 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782957262 OBLWZTKGTMBURT-WIYYLYMNSA-N 416.499 0.445 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)CCO2 1783054431 FTQBMFAQBSXTLF-FQEVSTJZSA-N 404.488 0.486 30 20 HCED Cc1ccc(OC(C)(C)C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc1 1783564965 FXOFAIDRZVLXJQ-NRFANRHFSA-N 415.446 0.465 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783889638 RSEJVSVOEIPOBK-JCGVRSQUSA-N 417.528 0.020 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1783893768 IZBTVNICAMUSNT-HXPMCKFVSA-N 404.492 0.728 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)C=CC4=O)C3)C2)cc1 1784117731 DNDPDLZDVRFLLX-JOCHJYFZSA-N 422.441 0.121 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Oc3ccccn3)C[C@@H]21 1784481150 HTGVFKAAIJIUKB-VMXHOPILSA-N 415.490 0.867 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1784503523 CBFGRVSRJYDBFN-ABHRYQDASA-N 407.427 0.502 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(O)ncn4)[C@H]3C2)c1 1784669633 YJQOAOAMAVUTNN-BQFCYCMXSA-N 407.430 0.961 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C)n3)[C@H]2C1 1786084739 QESIDEDIMFVGBN-ZOBUZTSGSA-N 404.467 0.523 30 20 HCED CNCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1786856667 IPJJCSKFIIXVIC-BJLQDIEVSA-N 414.506 0.916 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)(C)C)C[C@@H]21 1786857200 BUPAYRURUGWHDV-LUKYLMHMSA-N 408.543 0.655 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1786858114 KYRYFLSAINENKD-ULQDDVLXSA-N 402.499 0.145 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4ccco4)[C@H]3C2)CC1 1787081872 XTRKTBMMNRZASH-DZKIICNBSA-N 400.435 0.293 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)no3)C[C@@H]21 1788678751 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C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)OC(C)(C)C 1800726623 ZUINSXGEBZEMLJ-VNTOXUBHSA-N 417.506 0.997 30 20 HCED C=C1C[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)O)N(C(=O)OC(C)(C)C)C1 1800755066 DFCNUIRZPCEJCE-UHDSXZAQSA-N 423.510 0.522 30 20 HCED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1801205154 UWLIMGNMKUKIQJ-FVCICTRLSA-N 420.853 0.771 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2)[C@@H]1c1cccnc1 1805646155 OQTSHBXSJMSMSO-SXQBJFQMSA-N 422.489 0.993 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807146133 WAOUEYHLOQSNBT-IRXDYDNUSA-N 414.510 0.457 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc3[nH]ncc3c2)[C@H]1c1cccnc1 1809716057 RUHKLKKDLLWKQT-AUUYWEPGSA-N 418.413 0.761 30 20 HCED CN1CC(C(=O)N[C@H]2CCc3nc(NC(=O)C(C)(C)NCCC#N)sc3C2)C1 1814985318 DQZFMCBZZCQKMK-ZDUSSCGKSA-N 404.540 0.899 30 20 HCED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815053578 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20 HCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364230 NAUBFRYBIJBPFQ-LZJOCLMNSA-N 419.478 0.502 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC#N)CCO3)n1 1835364408 UVTSGIQUJONKMB-FQEVSTJZSA-N 403.483 0.650 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1836858694 XGISKYFZIYQCEJ-HNNXBMFYSA-N 403.483 0.466 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837097165 KJJLJGAWPNPOHS-NRFANRHFSA-N 400.479 0.703 30 20 HCED Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443901 MUGFNGSEFAEBCN-OKFCBPFISA-N 419.482 0.525 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1837561205 CYNUMMDLYCZWLY-LKQKOTCASA-N 402.407 0.457 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838785848 IZDBWPAWCMJXRK-ZDUSSCGKSA-N 406.570 0.738 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1839452041 DCHNMGUUYDWGDK-JOCHJYFZSA-N 423.473 0.833 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839840365 APGFAZYZERDTHU-CXAGYDPISA-N 404.410 0.765 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cc(F)cc(OC)c1)CCO2 1840085741 IUOKUOUBGKFCAA-FNEOHHHZSA-N 402.422 0.937 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(C)=O)CCO2)C1 1840130355 OUEWMAUSRWRILY-HZUJVAHNSA-N 410.511 0.631 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840294458 DEUQOMGKLRTGRR-RYEVTAHJSA-N 405.495 0.676 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840435501 ZLTDFPWRRKQWMV-UWJYYQICSA-N 415.494 0.669 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1C(=O)OCCO)C2 1841601052 BGZJRDBZAJAYPJ-MRXNPFEDSA-N 414.458 0.691 30 20 HCED C=CCc1ccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(OC)c1 9533038 ABFCSCWKNLGHLN-UHFFFAOYSA-N 417.418 0.208 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)c1=O 10854114 LCDSCEPOYWJHQU-UHFFFAOYSA-N 416.459 0.497 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545222 QMOMCXBVVCVNOB-IBGZPJMESA-N 403.508 0.919 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1 24733020 RCKKZBPFMYFRSE-UHFFFAOYSA-N 404.492 0.794 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CCO1 409570112 LROKKSSXYJWYHY-INIZCTEOSA-N 404.452 0.081 30 20 HCED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c(OC)c1 409587438 VGWGIQRLCKDMNH-CQSZACIVSA-N 410.496 0.798 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 410139681 DKPWAXYYPNLQLP-CQSZACIVSA-N 402.517 0.446 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 426162968 ULXUSARYZVPSEK-HUUCEWRRSA-N 403.449 0.679 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3CC(F)(F)F)CC2)cc1 429047708 KZTPJEBMQMGTIM-UHFFFAOYSA-N 415.401 0.614 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 430391353 GJCKJNUKVYTIDF-ZIAGYGMSSA-N 407.496 0.813 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3OC(F)F)CC2)c1C#N 430787771 JAHVLNCWKPDFFB-ZIAGYGMSSA-N 410.425 0.525 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 445117993 RUYVFLZPQWGWCD-SFHVURJKSA-N 402.495 0.590 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)cn1 460611023 ZSDUHEUSINMQON-UHFFFAOYSA-N 403.406 0.216 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2=O)n(C)n1 462096688 FXXVVOLQPJIMCZ-HNNXBMFYSA-N 419.449 1.416 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 465408127 SCJGXFDIIMPYHV-CQSZACIVSA-N 421.461 0.853 30 20 HCED Cc1ccc(C(=O)N2CCN(c3cnn(C)c3)CC2)cc1S(=O)(=O)NCC#N 470227462 GCWHRPUGSQLNKC-UHFFFAOYSA-N 402.480 0.493 30 20 HCED COCCN(Cc1ccnn1C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 470569826 ORRDBLNORZGLOW-UHFFFAOYSA-N 405.480 0.587 30 20 HCED CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472278159 NFPKVKHOUWHOPL-KRWDZBQOSA-N 422.555 0.843 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 477179209 WGYQLHREGMUSED-UHFFFAOYSA-N 404.452 0.995 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 479099228 KLCJKIKGUPVREP-UHFFFAOYSA-N 407.430 0.956 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 479308691 PDUJCUYRCNXOHV-HOCLYGCPSA-N 409.464 0.358 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482285480 JJQKZGVKWCOPJT-XPKDYRNWSA-N 409.464 0.404 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@]2(CCOC2)O1 485105546 IEMSLHSYAVPDRU-FQEVSTJZSA-N 410.434 0.874 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 485991851 RRVGOBUFQDSPEI-GOSISDBHSA-N 412.471 0.997 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cc1Br 498588870 PDVCRLRKNKOEHH-UHFFFAOYSA-N 407.224 0.915 30 20 HCED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 504607416 PQDMNHZKZHCSFU-SFHVURJKSA-N 408.462 0.952 30 20 HCED COc1ccnc(O)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 505118428 DCOGNPIWOXDTHB-UHFFFAOYSA-N 402.432 0.814 30 20 HCED COc1cc(N2C[C@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cc(OC)c1OC 508061898 KEUBZBYKVKYBSA-CQSZACIVSA-N 402.451 0.733 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508679268 PQGGEDDBERITDP-QGZVFWFLSA-N 419.507 0.777 30 20 HCED COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](C(=O)OC)C1 509381648 WPRJALPWKZXUFM-BBRMVZONSA-N 411.418 0.893 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 515362507 PTMDQRDKKQIORE-MSOLQXFVSA-N 409.508 0.421 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(SC)cc2)CC1 519839823 KYZOFZDDXREVHC-UHFFFAOYSA-N 404.536 0.514 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 521185991 WIALYIINBKTZOX-ZDUSSCGKSA-N 422.550 0.301 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1=O 521758100 AIWNKFUSAYMXEF-LLVKDONJSA-N 404.810 0.538 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 523073147 XLMUIYMUEKBLHF-UHFFFAOYSA-N 408.524 0.831 30 20 HCED N#Cc1cccc(NC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 532966797 TYUILWRNEZDMIE-UHFFFAOYSA-N 407.478 0.946 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 534017934 KUINIGZDSQHGLN-SUMWQHHRSA-N 423.491 0.700 30 20 HCED N#Cc1cccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)c1 548212740 RMOTVPGWNOCYET-UHFFFAOYSA-N 406.464 0.781 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncc(-n4ccnn4)c3)CC2)cc1 549214754 YCSFVYZOFFUIPI-UHFFFAOYSA-N 423.458 0.681 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC1 551059936 NTPPLIDRNQQFQM-OAQYLSRUSA-N 413.566 0.858 30 20 HCED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 551135180 UMRNJTMECMPXAQ-UHFFFAOYSA-N 424.461 0.338 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 553345617 SCGIWMZOMVZJMT-OAHLLOKOSA-N 422.551 0.929 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCCC1 554196058 ZCKYZSZNGNCZAA-UHFFFAOYSA-N 411.506 0.972 30 20 HCED C[C@H](c1ccccc1F)N1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 559131186 IEFSWNWWZSBPTA-JKIFEVAISA-N 410.471 0.936 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCSC1 559868285 WJRAEGHHWGOHSO-LJQANCHMSA-N 402.524 0.155 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C2 565278104 YHKRXINCLVOCFS-CQSZACIVSA-N 402.418 0.850 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 569601587 YYLLUBYGOJKDPW-UHFFFAOYSA-N 415.512 0.694 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC(C)(C)C#N)cc1 572268801 OVRFMPSEQQGHHL-UHFFFAOYSA-N 403.526 0.971 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnn(Cc3ccccc3F)c2C)C1=O 573187333 WOPNOYOVZQHPGY-UHFFFAOYSA-N 400.370 0.689 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 574164593 ULAPREQOOLFDSP-UHFFFAOYSA-N 403.420 0.349 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCC[C@H]2C1 577556956 PRUHJSJTYLSFQL-UHOSZYNNSA-N 418.519 0.942 30 20 HCED COc1cccc(O[C@@H](C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 580365576 CZOANLZFFYOBSM-ZDUSSCGKSA-N 414.466 0.847 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 588244309 RIGUAVCELBPSSG-CQSZACIVSA-N 414.466 0.198 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1 603208368 ICWJUHJZWALBFZ-UHFFFAOYSA-N 416.459 0.851 30 20 HCED CN(C(=O)[C@H]1CSCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CC1 604531363 GPRZBOAHKODEEF-MRXNPFEDSA-N 407.517 0.995 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 605162379 TYBBAWWNWBBNLD-INIZCTEOSA-N 403.464 0.420 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C)ccc3F)c2=O)cn1 609739165 DNBFBVFNEDZJTO-UHFFFAOYSA-N 411.462 0.812 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2scc(C(=O)OC)c2C)CC1 611460498 NZWUEHPIQNRHNA-UHFFFAOYSA-N 408.480 0.228 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 727388773 NOMDYFGMJPNWMX-UHFFFAOYSA-N 404.452 0.039 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 728533523 MEBYLGNEKLYFGT-FQEVSTJZSA-N 410.518 0.361 30 20 HCED CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732154692 XNZCTHDOXGMWAR-VLGSPTGOSA-N 424.454 0.769 30 20 HCED N#CCOc1ccc(CC(=O)NS(=O)(=O)c2ccc(CNC(N)=O)cc2)cc1 732497405 ORSMOKPYCOJSGF-UHFFFAOYSA-N 402.432 0.805 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 742276699 KGQKNEVUTNLLMI-UHFFFAOYSA-N 424.479 0.856 30 20 HCED Cc1cc(NC(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 745495349 HKNQQAFMZHEDJS-LLVKDONJSA-N 419.463 0.728 30 20 HCED CC#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 756143906 XJHBBXDPALKJMY-GSPCDJLXSA-N 412.533 0.910 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(CC)o2)c1=O 758049776 KTXLNMYDXMSDRG-UHFFFAOYSA-N 413.499 0.744 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 758068191 MUROBGCSVHOXTP-UHFFFAOYSA-N 417.450 0.374 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-n2ccnc2C)cc1 771896652 FSLKDYDHCXIWIV-UHFFFAOYSA-N 416.463 0.281 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c2=O)cn1 772300087 MWIIHILFDWYLHE-UHFFFAOYSA-N 417.560 0.988 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)CN2CCCC2)c1 773472103 HIZVOSAQNDKVKT-KRWDZBQOSA-N 411.462 0.929 30 20 HCED C#C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1CCCO1 773553647 BDXNPUGKVDJILJ-BZSNNMDCSA-N 414.510 0.762 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)O[C@H](C#N)Cc1ccc(F)cc1F)c(=O)n2C 774303679 ZFYZUVQPMFGIMM-LBPRGKRZSA-N 403.345 0.390 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC3(C2)OCCO3)cc1 774405285 WCNSTDFLUDFJSX-UHFFFAOYSA-N 423.491 0.797 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN3C(=O)OC[C@@H]3C2)c(C#N)cn1CCOC 775767792 SUUMQRPYUOPUHW-ZDUSSCGKSA-N 405.411 0.851 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c1 776059141 OEJJUCACACNOQV-HNNXBMFYSA-N 401.448 0.984 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 778005885 YDROVGIIKSMUCF-UHFFFAOYSA-N 412.443 0.488 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCCN3CCOCC3=O)C2=O)cc1 785301521 CTMMEZZVTWRLCK-OAHLLOKOSA-N 400.391 0.165 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1C 786909241 MLPJMRAATCSEET-UHFFFAOYSA-N 403.464 0.979 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)[C@@H]1CCCO1 787175807 KELPXPHOQWRPCF-CVEARBPZSA-N 417.462 0.123 30 20 HCED N#CCCn1cc(C=NNC(=S)NCCN2CCOCC2)c(-c2ccncc2)n1 788413622 AQGGKHGGAGPSMY-UHFFFAOYSA-N 412.523 0.989 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1Br 790841921 QWNUMPKFEXOTEP-UHFFFAOYSA-N 414.197 0.931 30 20 HCED C[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)n1cnc(C#N)n1 798741991 YRANILDSUJGCPK-WDEREUQCSA-N 414.378 0.762 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 800892068 OZMKMPOGNHXVQU-HNNXBMFYSA-N 409.512 0.872 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c(F)c1 802559749 WUKHZAMADDMAHH-UHFFFAOYSA-N 406.433 0.897 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)OC(C)(C)C 804179844 RSUQBOLLLJNUHA-UHFFFAOYSA-N 416.482 0.585 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)[C@@H]1CCCO1 809313077 QKHUNDYSKZCCJX-SFTDATJTSA-N 418.582 0.938 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 811251543 RGCBASRKHKLYSC-HUUCEWRRSA-N 407.448 0.305 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 815263624 LOLSRADIRGNGGW-DIODGJHASA-N 414.528 0.764 30 20 HCED C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 818584091 DHCVUUUIRKGTEY-UHFFFAOYSA-N 407.414 0.935 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN(Cc2ncon2)C1 819748810 KAQOVUZMISOELZ-ZDUSSCGKSA-N 418.479 0.137 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCOC 838226062 VIYBEMWVIDVJQL-UHFFFAOYSA-N 406.533 0.741 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 857194071 FGXZGHMAWTTZOW-UHFFFAOYSA-N 408.386 0.870 30 20 HCED CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 915473400 ULXJASXAEUSVAU-UHFFFAOYSA-N 423.491 0.799 30 20 HCED C=CCn1cc(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCOCC2)nn1 1070120918 MLZJAHOUQTULLX-VUBIOHBQSA-N 401.467 0.283 30 20 HCED Cn1nccc1[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1140896750 YZJNZOSIKQBUKG-WMLDXEAASA-N 403.464 0.607 30 20 HCED CCn1c(Cn2c(=O)[nH]cc(C#N)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 1166382950 HBHZAEPJSGNMSO-UHFFFAOYSA-N 402.436 0.076 30 20 HCED C=CCn1c(Cc2noc(C[C@H]3CCCS(=O)(=O)C3)n2)nnc1N1CCOCC1 1261240940 RAVUVUHLITYKCG-CQSZACIVSA-N 422.511 0.642 30 20 HCED N#CCC1(O)CN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)C1 1296600294 IKRGZFDHUNQRFB-UHFFFAOYSA-N 408.661 0.850 30 20 HCED COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301834378 ZFQFWMGCPCDRGT-HNNXBMFYSA-N 413.486 0.116 30 20 HCED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1314112651 KOLMKMFJBGHEKC-OALUTQOASA-N 422.461 0.231 30 20 HCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)C1 1314924302 SHDIHSPQZOPVFM-LJQANCHMSA-N 416.507 0.118 30 20 HCED N#C[C@@H](C(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1nc(O)c2ccccc2n1 1319494062 ODKAFJQHEMOTEJ-INIZCTEOSA-N 408.462 0.408 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCO2)C1 1519564878 XOHDHJNEPCGTRL-HOTGVXAUSA-N 424.527 0.530 30 20 HCED Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1534309954 JDKROZJAQUFLIR-LBPRGKRZSA-N 409.468 0.774 30 20 HCED C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1541865346 NPSYJXXLMZZGFF-KXBFYZLASA-N 405.478 0.563 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)c1 1611444651 VJECWBBIJUMNIU-ZWKOTPCHSA-N 412.471 0.564 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CO)(NCC2CC2)CC1 1611528038 NSXDXZQPQNNMTM-UHFFFAOYSA-N 406.508 0.078 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)CC1 1698490627 YAIAISPRYZHOKT-OAHLLOKOSA-N 406.512 0.794 30 20 HCED CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1745790192 PSOWZRCPSVBJPQ-CXAGYDPISA-N 411.532 0.545 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N(C)C 1761477930 DLUHRZRIEIGXFX-CYBMUJFWSA-N 411.532 0.497 30 20 HCED CN1CC[C@](O)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1769065450 SOFXDMUTNYKJQS-MGPUTAFESA-N 416.457 0.792 30 20 HCED O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019616 BRCRVDKTBGYYSH-TZNDHUBYSA-N 400.483 0.725 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779059060 OEZXVCCZWLQHBL-JXXFODFXSA-N 418.498 0.908 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061028 NSNVDZAJUHUGTO-JOCHJYFZSA-N 414.506 0.871 30 20 HCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064724 MPBBTFOWUYKDDH-OAQYLSRUSA-N 416.478 0.707 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1779100599 DMEBDJMOSDOQEP-YPUGZZLTSA-N 405.455 0.242 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779387447 UFFMGSWMOSSWOT-GOSISDBHSA-N 421.410 0.271 30 20 HCED 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C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840158870 RXRGVXJJGVOMNX-XTUQQUOLSA-N 400.541 0.560 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840194140 BFLFJRPKKXECLM-LJQANCHMSA-N 412.508 0.454 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840428128 BWECYJGLVDTQFY-OXJNMPFZSA-N 403.483 0.525 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1841054806 FWDRXUCYPKQKPA-PLNGDYQASA-N 412.372 0.499 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841560635 NWQXNMJFEUFMKB-AWEZNQCLSA-N 408.499 0.795 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)nn1C 1844835788 NGVHIIUAHRZHKP-MLHZQLSASA-N 405.455 0.775 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138737 MXIGVIMWXZCAFB-QGZVFWFLSA-N 413.478 0.760 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845211103 GMAXQPPOAHCSMU-OAHLLOKOSA-N 411.499 0.668 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847055705 JXLUSDGVMUDURD-GFCCVEGCSA-N 411.549 0.623 30 20 HCED C=CC[C@@H](CC(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1)NC(=O)OC(C)(C)C 1847108470 QZWYAPSSWWXXAJ-AWEZNQCLSA-N 423.514 0.718 30 20 HCED C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(C#N)cc2)CC1 23258907 KQTRTTZKBWQZPK-LPHOPBHVSA-N 404.536 0.710 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 410138957 AKLZSEDINVVBSL-OAHLLOKOSA-N 423.491 0.372 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 428905910 LLWWZGWPBGNMSM-UHFFFAOYSA-N 412.475 0.609 30 20 HCED C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 430227390 ONJRVJCKGOBVII-RYUDHWBXSA-N 414.853 1.448 30 20 HCED C[C@@H]1CC[S@](=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 433529704 KRENGSMCYMOFLM-BODITIBLSA-N 403.439 1.191 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CN[C@H](C(=O)OC)c2cccc(C#N)c2)c1 434874072 OHENKCLOGURPDM-SFHVURJKSA-N 416.459 0.909 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 437035974 LIPUXHBIVMYJLJ-DOTOQJQBSA-N 418.498 0.717 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)nc1 438315259 RXDCXMWKHCJQER-UHFFFAOYSA-N 410.482 0.836 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)cc1 442336574 SAVKDBPJUUGBIB-UHFFFAOYSA-N 410.430 0.721 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3coc4ccccc34)c(=O)n2C)CC1 447009448 BVHKQTZCIIGWSP-UHFFFAOYSA-N 422.510 0.860 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460380223 MGVJWZQTYWNJCD-MRXNPFEDSA-N 403.531 0.735 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 460611786 LWWSIXZBQAKMAP-GOSISDBHSA-N 422.493 0.316 30 20 HCED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCO[C@@H]2C)O1 468549318 UQYPHECLFBRKEQ-SPYBWZPUSA-N 407.492 0.974 30 20 HCED C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469198476 DWKNJZQXPCQNDQ-PYJZQUQOSA-N 408.458 0.758 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl 472589652 KTAHSGULGGSSMH-UHFFFAOYSA-N 418.889 0.802 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C1CCN(C)CC1 474352971 HCZBYOMLRSVXNI-UHFFFAOYSA-N 423.542 0.685 30 20 HCED C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 474790632 CZSAKLBLOSZVAQ-HZPDHXFCSA-N 404.533 0.260 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)Nc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 475600954 HVTRKRYBLIAVMM-ZIAGYGMSSA-N 410.434 0.968 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCc3nnc(O)cc3C2)n1 477870587 YXBVBGJCRUGREE-UHFFFAOYSA-N 407.365 0.902 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(OCC(N)=O)cc1 480115447 WOYPXLKKKLVOGV-GFCCVEGCSA-N 402.432 0.728 30 20 HCED C[C@]1(C(N)=O)CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@](C)(C(N)=O)C3)c2)C1 481045458 XLAIMSVINILBPN-OALUTQOASA-N 400.439 0.870 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCCC2)CCOCC1 481789085 OMRGCTWUNHAYPM-INIZCTEOSA-N 420.535 0.986 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 482211612 KHRJCTKTBXOYAU-CQSZACIVSA-N 402.480 0.293 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1CN1CCOCC1 482376823 HJCKAINFVPRWQM-WBVHZDCISA-N 406.508 0.548 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 482379077 CACHPJLYEYZXRT-WBVHZDCISA-N 406.508 0.406 30 20 HCED COCCc1noc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 482810758 QRSGMSJVWLDXLC-LBPRGKRZSA-N 407.452 0.456 30 20 HCED CN(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 484203487 QTEARSHDJCHAEN-QRVBRYPASA-N 411.506 0.764 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485991094 QFMKGSCWNSKKRB-KRWDZBQOSA-N 422.507 0.120 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccncc3)c2=O)cn1 489032422 AEMDIYIRIFQZSB-HNNXBMFYSA-N 421.482 0.619 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC(=O)NC)nnc12 498325059 YFKSNGXFYYSXIV-UHFFFAOYSA-N 400.464 0.527 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 499120224 YDCRZZFBBUHNPW-UHFFFAOYSA-N 422.551 0.681 30 20 HCED CCN1CCN(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C(=O)C1=O 500053564 OQKYSXCFIOBCFM-UHFFFAOYSA-N 420.473 0.446 30 20 HCED Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 500740086 SCMQJNPRAIRBNW-UHFFFAOYSA-N 404.408 0.347 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)n1 508363289 NZIZDHDKTIROEL-UHFFFAOYSA-N 415.307 0.579 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 508989431 YOWUBPGMXJCIKK-UHFFFAOYSA-N 413.356 0.236 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CSCc1ccc(C#N)cc1 512656577 KXHMOELHKBCJMR-INIZCTEOSA-N 409.533 0.943 30 20 HCED C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 521593714 MVJFSVMMQDASMD-CPUCHLNUSA-N 400.435 0.625 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1Cc1ccon1 531684062 HWUBDTLHZRCOBV-UHFFFAOYSA-N 417.450 0.743 30 20 HCED C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 534565753 PNMQKAAHANHEKK-IAGOWNOFSA-N 419.526 0.808 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccccc1SCC(N)=O 536342653 FAYBHWOMMRKDLX-UHFFFAOYSA-N 401.496 0.944 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CSc1nnnn1CC(F)(F)F 538254032 KOJQGGZYSUETLC-UHFFFAOYSA-N 403.394 0.596 30 20 HCED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 539375217 RVIVYAKYQZORMO-MSOLQXFVSA-N 408.499 0.653 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 540748976 QXMJVXFUHLPONR-UHFFFAOYSA-N 410.496 0.368 30 20 HCED COC(=O)c1sccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 542340540 IHNYASGAGYALOH-NSHDSACASA-N 414.447 0.872 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)C(=O)NCCN=c2cncc[nH]2)[nH]1 543002841 SHJOWWYEQOLYMK-UHFFFAOYSA-N 410.825 0.198 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 549824960 CJCRJPISEAGNDF-WBAXXEDZSA-N 414.462 0.168 30 20 HCED N#CCCn1cc(C(=O)NCC(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 554110932 DHGGNYOTISWHIH-UHFFFAOYSA-N 412.406 0.961 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCn2cc(CO)nn2)ccc1Br 559908826 IEKHDVZREDBFFN-UHFFFAOYSA-N 407.228 0.550 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)CC1 561415012 SUIPRQNDBSHBBA-UHFFFAOYSA-N 402.495 0.947 30 20 HCED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2cnccc2C#N)CC1 584327149 UCYNPHYYMKZHJB-UHFFFAOYSA-N 421.504 0.331 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 590907494 PYNNEACPBCUMRO-CQSZACIVSA-N 415.515 0.983 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c2)c1 603713176 HJTBIZBINPDXJL-HXUWFJFHSA-N 423.469 0.850 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 603793073 JKFRRDPPSFYQEB-UHFFFAOYSA-N 408.483 0.836 30 20 HCED C[C@@H](O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609316066 VJEDZUMOBWEHTH-SJLPKXTDSA-N 420.535 0.626 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1 609352341 XEVJFZRLLMZWCH-KRWDZBQOSA-N 406.508 0.834 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)n1 610350422 BBJBPSDXQRCERP-OAHLLOKOSA-N 405.503 0.982 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 611002676 WKHLALWLJUHQFW-QGZVFWFLSA-N 422.497 0.557 30 20 HCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 615630735 DHAHFWXXQBJHAE-YVEFUNNKSA-N 412.443 0.402 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)c2ccc(C#N)nc2)CC1 725822719 KRZYMRZLIHXRMI-UHFFFAOYSA-N 423.495 0.749 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 728573602 SATRWSANZXHTPE-UHFFFAOYSA-N 402.495 0.029 30 20 HCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C2CCC2)C1=O 730462596 OOBYLQDHHFMGEC-SYLQMPFCSA-N 410.521 0.823 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1F 736268724 BODNFUMQGVJTIK-NEPJUHHUSA-N 404.485 0.938 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 744759149 HVKSFZHVVWMUEO-JGGQBBKZSA-N 421.425 0.274 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cccc(OCC(N)=O)c2)c1 746560372 OSRZUURIDUXGDF-UHFFFAOYSA-N 402.428 0.819 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 747820082 JBLFWPDETZGQEI-FQEVSTJZSA-N 424.501 0.830 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3cc(OC)cc(OC)c3)CC2)CC1 748823633 BKKIDHVKABTNEO-UHFFFAOYSA-N 400.523 0.599 30 20 HCED CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 749653637 CVWOOJJLURAYTB-CABCVRRESA-N 414.528 0.467 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@@H]1CCCO1 753207245 XOKNXQRCQVKVCG-IRXDYDNUSA-N 400.545 0.861 30 20 HCED CN1CC[C@@](O)(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 762811244 KIVDVKYTKRGGEG-WKSXIXGESA-N 409.512 0.688 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3nccn3C)CC2)c1 763606580 MZXPLEDWUHCAOA-UHFFFAOYSA-N 401.492 0.730 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2(CO)CCC2)cc1 773756038 SUMJTAVMMXBAOG-RCCKNPSSSA-N 408.480 0.469 30 20 HCED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 775911337 LHQLBVIWHXPZLC-KRWDZBQOSA-N 413.452 0.562 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)n(C)c1 779202788 OAXASHAFDPUWFA-UHFFFAOYSA-N 410.477 0.407 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)cs2)c1=O 782751733 XSSQMFQGTTXWJD-UHFFFAOYSA-N 414.921 0.201 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CN(c2ccc(F)cc2)C1=O 782875560 YOWLOLVYAUOMAE-HNNXBMFYSA-N 416.434 0.786 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccnn2-c2ccc(C)nn2)c1 783463549 DGHLNVUAIZCKBJ-UHFFFAOYSA-N 403.402 0.645 30 20 HCED CNC(=O)[C@@H](Cc1ccccc1)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 784958262 MMXWHTBNMNHALL-QGZVFWFLSA-N 401.444 0.737 30 20 HCED N#CCCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 787593867 OWLYLGLRHZZAED-UHFFFAOYSA-N 415.422 0.329 30 20 HCED Cc1nn(C)c(N2CCN(CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)CC2)c1C#N 788045407 VSMZVEPSYFPGMB-UHFFFAOYSA-N 421.461 0.671 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCn2cnc(C#N)n2)C1=O 795183816 LOXBCSVZNMSVAG-CQSZACIVSA-N 408.447 0.789 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)c1 797442693 GGDUTJWXCPAOMH-UHFFFAOYSA-N 415.427 0.924 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 797620193 BGMBNIDVRGNWDO-LJQANCHMSA-N 412.490 0.681 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 799285391 DUVCWRWWKZQPES-SFHVURJKSA-N 406.446 0.946 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(CC(F)F)CC2)n1 803649970 VRXIIDHIIDNOQX-UHFFFAOYSA-N 411.453 0.337 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 815861748 YGWSAPRIIHARRV-UHFFFAOYSA-N 413.522 0.361 30 20 HCED C#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 816673355 XDOROJSBRZKXQP-ZIAGYGMSSA-N 400.884 0.911 30 20 HCED O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N[C@H]1CCCN(O)C1=O 816753890 RAHXULBHKZQXEE-INIZCTEOSA-N 411.480 0.137 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 824514704 HUXKXLGQLIMQMF-QLFBSQMISA-N 408.476 0.779 30 20 HCED C=CCc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 915296978 UOOLMGGGCXNDIP-OAHLLOKOSA-N 410.492 0.856 30 20 HCED C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 919318344 GYQNDCALYSJPQK-CZUORRHYSA-N 421.475 0.129 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1NC(=O)c1c[nH]c(C#N)c1 993619590 MTSQHRJCZQDNKV-PZEIRFODSA-N 420.473 0.768 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O 1003042627 XUHCYRFGRPPWMU-JSEZXORMSA-N 404.467 0.158 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H]2CS(=O)(=O)C[C@@H]21 1054788457 ZASFSMHPVQFZSE-UUAJXVIYSA-N 402.476 0.335 30 20 HCED CCNS(=O)(=O)c1ccc(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1116600169 JLWHORYLMIABEJ-ZCXUNETKSA-N 406.464 0.170 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2C1 1116773687 UNNWZYUJCCFCMI-ZBFHGGJFSA-N 422.493 0.594 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](NC4CCOCC4)C3)CC2)o1 1197432321 STUBKXKVBASHFW-SFHVURJKSA-N 416.526 0.736 30 20 HCED C=CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1 1248398794 LNULYNSIQGIQDI-CYBMUJFWSA-N 406.913 0.820 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCN3C(=O)CCC3=O)C2=O)cc1 1322839679 PXRDINJGSIQEHP-HNNXBMFYSA-N 411.418 0.419 30 20 HCED CS(=O)(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1505148183 YGDGTPFZNRQTJJ-OAHLLOKOSA-N 424.914 0.800 30 20 HCED CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1508873312 LCWIZIBFKQHRGR-WMZOPIPTSA-N 412.498 0.821 30 20 HCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1539765765 IZYWLYXBMGPEKV-GDBMZVCRSA-N 418.523 0.913 30 20 HCED Cn1nccc1[C@@H]1C[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1543526700 MPWPXPFMVLJJGV-WFASDCNBSA-N 403.464 0.495 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCCC2=O)CC1 1583808368 IQDJTSPEARDASD-CQSZACIVSA-N 404.492 0.729 30 20 HCED CC(=O)N1CCN(CCn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1596283158 WPIPVDWXKPEQJX-IBGZPJMESA-N 409.494 0.838 30 20 HCED CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1598159577 UKNBMFZKVRPVHH-UHFFFAOYSA-N 411.466 0.437 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)o1 1612045806 OXGPDLOVPYHPCT-OAHLLOKOSA-N 400.439 0.824 30 20 HCED CC(C)CNC1(CO)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1634090628 PXXPGMXIQZLKGG-MRXNPFEDSA-N 422.551 0.824 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)NCc1cccc(C#N)c1 1643393725 JNBSNOHRCHZDFP-MRXNPFEDSA-N 407.492 0.615 30 20 HCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1761258540 ULICBEXHXCWYFA-KRWDZBQOSA-N 422.493 0.897 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)C1 1771529419 NUDQROVWOMGPNO-DNVCBOLYSA-N 405.478 0.518 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1778967574 LOGGNXOPXWIZGV-VFNWGFHPSA-N 416.478 0.197 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1779062767 OJPJEXAQJGKMPK-OAQYLSRUSA-N 400.479 0.562 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1779240629 SXTBFWAIDCNBRK-SFHVURJKSA-N 417.443 0.534 30 20 HCED Cn1ncc(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1Cl 1779861879 OGFRJRLZNPQWIB-OZNZCJATSA-N 422.917 0.989 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780255509 ASJBNGCQTDOGQY-CCULFSDZSA-N 401.467 0.702 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1 1780819827 CTAKCBFIOXLJEM-JXXFODFXSA-N 405.499 0.365 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c(C#N)c1 1781175449 LDEXJTSPFQOHAO-HTAPYJJXSA-N 413.474 0.976 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2cccn2)CCO3)ccc1F 1781298810 WXDRRWXKEKOIJE-OAQYLSRUSA-N 411.437 0.966 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781937528 JYPXTUZCIKUMIU-JLTOFOAXSA-N 423.466 0.113 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782363774 KFGMBMJIIOFTNQ-VFNWGFHPSA-N 414.437 0.955 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783586568 YGIBHIYECDCKCR-VWXURSGXSA-N 404.511 0.666 30 20 HCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(c3)NC(=O)CO4)CCO2)C1 1783892813 IUBPJPBUHGSJDK-BLVKFPJESA-N 405.476 0.779 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)NCC)C[C@@H]21 1784494922 MUIQLJYCRZZUEG-XSLAGTTESA-N 424.542 0.657 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)CN3CCNC3=N)CCC2)cc1 1785837548 PYBCRBYGRLVDNH-HJWRWDBZSA-N 424.505 0.819 30 20 HCED COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1786529793 BIDTZICPWCIRRP-SZMVWBNQSA-N 400.431 0.305 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3C)C[C@@H]21 1789891699 OJASCJKIDVIFNV-BZSNNMDCSA-N 418.494 0.681 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790910871 BIJRVHKMCDTJIS-YRPNKDGESA-N 423.554 0.021 30 20 HCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)NCc1ccco1)C2 1793260135 BQFQARQCNBBJHH-AOXIVVNTSA-N 411.458 0.455 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1793342807 STHTVKHFWPFFFS-PNBKFKSVSA-N 404.492 0.197 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1793383191 PLGYVKCZIOLUPV-WTLGNFPFSA-N 417.535 0.816 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Nc1cnccn1)C2 1793384348 XJXZCCUOGLIGHG-QZLJAVCYSA-N 407.540 0.821 30 20 HCED CC(C)(C)OC(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793591962 RKKVTGIHPGMJKR-ADUKNNKPSA-N 422.526 0.780 30 20 HCED Cc1nnc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)s1 1795598563 LAMFDSURMVTMLQ-XOIINTDNSA-N 420.539 0.261 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H]3CCCO3)c2c1 1795899719 PCEDYYVFVPJGSD-LTCOOKNTSA-N 409.446 0.817 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#Cc1ccc(Cl)cc1)C2 1796078385 GESJHDPARSIMSH-MHORFTMASA-N 416.909 0.923 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1797694981 NTKUCPLYFZMAJN-SBJFKYEJSA-N 400.545 0.238 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)cc1)C2 1797704568 RZMIWDLICZELOF-ZDUSMZPESA-N 418.490 0.934 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797898833 XMNWJFJQHMRNHF-DNACIXOXSA-N 414.466 0.216 30 20 HCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2CCSCC2)C3)c1 1798858030 KBKJDBYHPKCHLS-OPVJXMOQSA-N 414.531 0.810 30 20 HCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)cc1 1799643710 WSUXBRLQWCERST-ALXJQNPVSA-N 407.430 0.765 30 20 HCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc[n+]([O-])cc2)C3)c1 1799746651 JZBWYJIAELCQFQ-HGKCTWBKSA-N 410.405 0.848 30 20 HCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ncccn3n1)C2 1800108449 BHGMAYSLLHBNEF-QDMKHBRRSA-N 412.450 0.886 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccn1)C2 1801991516 ZVCXECFBAOJEKS-HGKCTWBKSA-N 407.430 0.630 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)C#N)C2 1802837937 OBHSMDPDEKRXDY-XLNGHYISSA-N 400.483 0.645 30 20 HCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)[C@@H]1c1cccnc1 1803446968 RZWFQWALFBHVQK-OXQOHEQNSA-N 409.446 0.053 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)CC(N)=O)[C@H]1c1cccnc1 1803662685 LIKZTQXRKBWRQK-BUIAKZPTSA-N 400.479 0.637 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](CC)NC(C)=O)CC2)C1 1804849281 QRSQGYLXYMGYHB-ZEVQVBBLSA-N 418.538 0.991 30 20 HCED N#CCC(=O)NC[C@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1806288241 BCYCQNLCKQHJBF-DNVCBOLYSA-N 424.417 0.771 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807146491 ZWAMMYOABPSHSV-PKOBYXMFSA-N 424.509 0.661 30 20 HCED C[C@H](NC=O)C(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1808369926 UKFDWHJVNBSLGF-VDJHFDLDSA-N 411.462 0.934 30 20 HCED N#CCC(=O)N1CCCC2(CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)C1 1809019128 ZFMDHRWKHIDKDB-UHFFFAOYSA-N 405.480 0.597 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CN3CCOCC3)CC2)C1 1809772594 AVSGPZZVQKGMDL-UHFFFAOYSA-N 419.570 0.832 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)/C=C\C(=O)NC2CC2)[C@H]1c1cccnc1 1810125511 UYPSCLKXGUATBR-XUNGWOPCSA-N 424.501 0.961 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812879100 PNBWMKORVLCZLJ-LVCYWYKZSA-N 421.457 0.140 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc(Cl)ncn2)[C@@H]1c1cccnc1 1812879630 CPEQIXCNDJNEBS-FZKQIMNGSA-N 413.821 0.933 30 20 HCED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815054336 PHHZJIIYHUDBNR-MNOVXSKESA-N 411.553 0.567 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](CC)NC)sc2C1 1815290696 UTAQYBXJLQRNIT-MYSQMOAQSA-N 405.524 0.912 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H]2CCC(=O)N2)n[nH]1 1817086778 SNGLWYUROHBSOV-HIFRSBDPSA-N 415.498 0.962 30 20 HCED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)[nH]n1 1821872082 GZGIIKDVSXTLIV-UONOGXRCSA-N 405.455 0.921 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1825666781 JYRIVLZUJNRYJX-MMFVSOFESA-N 420.447 0.672 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCCO3)CC2 1825667027 FYFPSXUIMBPOMS-SNVBAGLBSA-N 415.431 0.436 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CNC(=O)OC)sc2C1 1826501482 LGPJYYYGTLGRMZ-GWCFXTLKSA-N 410.496 0.984 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826934181 UFLHJCNLUVNLMB-KURKYZTESA-N 422.570 0.772 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1828090913 KBVSDLDJLOMYNT-LBPRGKRZSA-N 400.460 0.784 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2)C(F)(F)F 1830631799 HZJZBSPNCUMAGK-SUMWQHHRSA-N 408.417 0.968 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C(C)C)n3)C2)C1 1831386159 AHAAGRHWQKLBRG-IIBYNOLFSA-N 419.478 0.906 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3Cl)C2)C1 1831387179 ZVAPVXKTWSLRSC-FOIQADDNSA-N 421.881 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1831394211 YVNDYLXGCUWFOF-LAUBAEHRSA-N 401.463 0.119 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cc3)C2)C1 1831397372 RQLURCRYDMIJTC-IIBYNOLFSA-N 402.447 0.501 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1831401966 KRGSDLHVNPVIDD-LTCOOKNTSA-N 402.850 0.406 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCOCC=C)CCO2)C1 1831404767 WNHIKLNFSWHCDB-WIYYLYMNSA-N 408.495 0.464 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1831418701 FHELCYXMOGXHSU-QKLQHJQFSA-N 410.511 0.585 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1831435030 JFXABCVTPMDUIE-LAUBAEHRSA-N 424.494 0.543 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)on1 1832570831 DYRZPEGXNKAENY-FQEVSTJZSA-N 413.434 0.496 30 20 HCED COc1cccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)n1 1832818859 CFAHNWMTZUYQRL-HXUWFJFHSA-N 402.451 0.393 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1noc(C)n1)CCO2 1832921204 WEALXELJDYULKQ-HXUWFJFHSA-N 422.482 0.360 30 20 HCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1833492518 YRADMAKDRQIAEP-BZSNNMDCSA-N 412.600 0.235 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833866918 CCAWVAHVHIRHQF-NRFANRHFSA-N 418.494 0.692 30 20 HCED NC(=O)c1ncccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833918269 OLFNQMONXOGDJU-UHFFFAOYSA-N 423.517 0.779 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834306103 NXOWEUVZWRFXCQ-NVAXRVGSSA-N 416.482 0.018 30 20 HCED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1834624718 RWGVEKRYQHMTCG-ODSDJFLOSA-N 409.483 0.772 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CN)CC2)CC1 1834656488 HRMRRHGXSWUONM-YIEVGGLXSA-N 405.543 0.011 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)CC1 1835340569 ALUZQZAHYPHSHJ-IBGZPJMESA-N 419.413 0.156 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835708799 YPOJXVNUDYLUGD-RBBKRZOGSA-N 414.506 0.731 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)C=C)CC2)CC1 1835825609 DBYGCNXJHBZWNZ-IAGOWNOFSA-N 420.554 0.840 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1837666917 AUAHDGVVZWCUTF-IERDGZPVSA-N 407.511 0.571 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)c1 1838906880 KXAPDZDKRKMWJT-OAQYLSRUSA-N 407.430 0.732 30 20 HCED Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)n1 1838949898 BYTJUVRICRYAOA-JOCHJYFZSA-N 423.473 0.604 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950409 TZQFBDRDCQDOKZ-NQIIRXRSSA-N 400.479 0.626 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839275225 PYHZXUTWBDWYJG-FQEVSTJZSA-N 417.418 0.784 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839531006 WHEREPHONBCVSW-FQEVSTJZSA-N 420.535 0.819 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)C2)C1 1839809122 REXUFBDFHUPYQR-LHSJRXKWSA-N 413.430 0.109 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1840160807 SQJCURPCTNZVHB-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840161640 WMDIWQJOEFFLKV-SJKOYZFVSA-N 410.521 0.784 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840381734 BFSHENXUBHUDEB-LJQANCHMSA-N 421.523 0.547 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)CCO2 1840437754 ZMTACWZGOJWAFC-QFIPXVFZSA-N 416.522 0.839 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cccn3)CCO2)C1 1840441808 HRFWMIWNKOLSMW-XGHQBKJUSA-N 420.510 0.474 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2=COCC2)CCO3)cc1 1840559578 IQUGDOFIOHJDMG-JOCHJYFZSA-N 411.458 0.861 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4CCC5)C3)C2)CCC1 1840815539 YAAPCJSQAAGSQO-NRFANRHFSA-N 413.478 0.593 30 20 HCED C=CCSCC(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1841882805 CCLLOSKPSTWVMO-AWEZNQCLSA-N 413.540 0.995 30 20 HCED COc1nccnc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842220219 OPADYSGGLCICGP-URMYYVDKSA-N 403.439 0.831 30 20 HCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1)C2 1844333120 OQFBXKLQLIUKEC-HNNXBMFYSA-N 418.457 0.984 30 20 HCED Cc1c(C(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)cn2[nH]cnc(=O)c12 1844656292 BLPBZJNAZZDROF-GZIVZEMBSA-N 422.445 0.860 30 20 HCED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1845759668 HMNINLUKLMJDCL-UHFFFAOYSA-N 406.552 0.372 30 20 HCED CNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662156 SJWJPOXMHUNHKO-LBPRGKRZSA-N 422.463 0.346 30 20 HCED C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 26943720 VMLKKCATODPPLX-AWEZNQCLSA-N 416.459 0.803 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccsc2)CC1 55110807 AIOTVQNCUGAHRX-UHFFFAOYSA-N 418.500 0.883 30 20 HCED CN1CCC(n2ccc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)n2)CC1 427270417 UIKSFANGRZYSRK-UHFFFAOYSA-N 408.462 1.250 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 439702757 OMIJOVRJBOUEPX-UHFFFAOYSA-N 403.468 0.850 30 20 HCED C=CCc1ccccc1OC[C@@H](O)Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 447162832 MFKAZNDKVBSTFZ-AWEZNQCLSA-N 418.475 0.702 30 20 HCED CCN(C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H](C)CS(=O)(=O)CC 460577085 DPBYVFKQNWKPGO-CYBMUJFWSA-N 418.479 0.749 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 461307224 MBPKZBAZBJZQCV-CQSZACIVSA-N 422.536 1.447 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 465188904 VNKFUCBNIOVNAY-AWEZNQCLSA-N 406.512 0.447 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 467048917 UDHZYXYXGXMXGP-KYJSFNMBSA-N 405.476 0.979 30 20 HCED CCOC(=O)[C@@](C)(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468873935 FSTWJMUIVGMNOS-IBGZPJMESA-N 423.491 0.389 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 469898062 CIQZYBNYPIOEQC-UHFFFAOYSA-N 405.524 0.174 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)CCN1CCN(C)CC1 472909855 XDCFWTDGOJKWIB-SJORKVTESA-N 400.531 0.594 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)CC)cc1 475440138 USASAVPESGCLKN-ZDUSSCGKSA-N 410.496 0.415 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)s2)c1=O 477452357 YUGAXZRVQKWXKN-LBPRGKRZSA-N 419.528 0.820 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 489196429 NEKAJUKYHUHQMZ-UHFFFAOYSA-N 420.494 0.840 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 500363596 MGHAFYWIVHMKBY-HOTGVXAUSA-N 401.463 0.683 30 20 HCED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508887390 IMQOHWHIWCJROA-UHFFFAOYSA-N 404.438 0.338 30 20 HCED CNC(=O)CC[C@@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 513187882 IZMAEGQEBQJHOR-INIZCTEOSA-N 402.499 0.884 30 20 HCED COCC(=O)N1CCC(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513998070 YRKXRJBFCPQIGX-QKKBWIMNSA-N 411.462 0.679 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@@H]1CCOc2ccccc21 525173312 VWDMYGADCWQREK-MRXNPFEDSA-N 421.482 0.264 30 20 HCED CC(=O)N1CCc2c(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cccc21 525846514 XDGHYOXNJXRYAB-UHFFFAOYSA-N 413.478 0.609 30 20 HCED N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)n2)cc1 531400326 ACRQMBKRPVDRNX-UHFFFAOYSA-N 418.460 0.646 30 20 HCED C=CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 533065732 HYKAXPWWANTKLL-SFHVURJKSA-N 413.584 0.813 30 20 HCED CCOC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 536261942 DAEKFXITWYCPGW-GUYCJALGSA-N 423.491 0.700 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538079242 MXPNBYPNGDMJQC-UHFFFAOYSA-N 410.500 0.379 30 20 HCED Cc1ccc(-n2[nH]c(=NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2C)cc1 538330753 XLUGUPMZSPINTP-UHFFFAOYSA-N 406.450 0.776 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C 539941586 JPGOGGUXFGZBSR-UHFFFAOYSA-N 400.416 0.169 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@H](Cn4cccn4)C3)n2)c(F)c1 543929635 QYYXYGMCRUGBAH-HNNXBMFYSA-N 423.408 0.946 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCC#N)c2)CC1 544153109 SGUBHLSWGNRGKS-UHFFFAOYSA-N 407.496 0.371 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC 549554543 LFSYRZUQOMSNTK-UHFFFAOYSA-N 417.535 0.582 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)CC2)nc1 554718859 BKDXWIHCSTYNLA-UHFFFAOYSA-N 421.383 0.677 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)c(C)c([N+](=O)[O-])c1 559846282 WNEQTWNGIYOCQZ-UHFFFAOYSA-N 400.351 1.377 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cn1C 573182425 BMMSOSRXPLMLPP-UHFFFAOYSA-N 403.464 0.979 30 20 HCED CC(C)NC(=O)CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 584068343 FVDIICIPTQIHPL-UHFFFAOYSA-N 414.466 0.911 30 20 HCED CCN(CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 586870810 WFOLVRGYKHPMNG-UHFFFAOYSA-N 400.483 0.673 30 20 HCED COC1(CO)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588865191 YUAIMYWLSBQZHU-QGZVFWFLSA-N 414.462 0.170 30 20 HCED CN1CC(=O)N(CCCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 604302010 ZEIOVBJGKYCJSU-UHFFFAOYSA-N 400.439 0.746 30 20 HCED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 609147800 IXOZWXZZIYJUAA-JSGCOSHPSA-N 414.509 0.775 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCN1C(=O)CCC1=O 609958367 SCLOFLJWEXPXHT-UHFFFAOYSA-N 407.386 0.949 30 20 HCED N#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 610112810 ZIBFSCPMXCJPLD-UHFFFAOYSA-N 401.492 0.627 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(C)c1S(=O)(=O)NC1CC1 610148921 BQECFZDNAFBBIP-AWEZNQCLSA-N 406.464 0.434 30 20 HCED CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 611431163 WCVVPZHZVZDJSX-CVEARBPZSA-N 408.524 0.967 30 20 HCED C=CC[C@@H](CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611662363 RWCCJGVOYZGHEJ-IPYPFGDCSA-N 413.452 0.020 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 741343075 KNZMQRLEFCQCOW-VHEBQXMUSA-N 414.374 0.944 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCNC(=O)C[C@@H]1C 742096878 XYDZMTZOPQPSEK-ZFWWWQNUSA-N 406.508 0.877 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)C1=O 742887676 ZFZCDTXBKANMRT-CYBMUJFWSA-N 408.455 0.821 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C[C@@H]2CC[C@H](C1)O2 753894775 IBJBBMSPXRVCOW-GASCZTMLSA-N 407.492 0.912 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 755789273 KMLUQAGGFQPFAR-UHFFFAOYSA-N 406.468 0.750 30 20 HCED C[C@@H](CCCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 756327294 OLBJUPRSCXNUPQ-JPDJOPTESA-N 410.496 0.715 30 20 HCED COC(=O)c1nn(CN2CCN(c3cccc(C#N)n3)CC2)c(=O)c2noc(C)c12 760549511 ALHVIVZMIUBUED-UHFFFAOYSA-N 409.406 0.526 30 20 HCED 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N#CCOc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 780832628 UHGSWMLCAVKDBB-GOSISDBHSA-N 422.507 0.925 30 20 HCED N#C[C@@H](C(=O)c1cn(-c2cccc(Cl)c2)nn1)C(=O)N1CCS(=O)(=O)CC1 781475455 ZOCQJSUTOFNZCD-ZDUSSCGKSA-N 407.839 0.500 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccn(C)c2)c1=O 781656923 HFWCOLJDGKIIPR-UHFFFAOYSA-N 412.515 0.599 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)[C@H]1CCS(=O)(=O)C1 783482627 YWSPNJBZOXJBFR-DOTOQJQBSA-N 406.460 0.442 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786370649 ZCBYKHCPEFSPED-YPHPQLHUSA-N 405.451 0.525 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 798339155 NILUUKMAHIWZEK-UHFFFAOYSA-N 411.299 0.427 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2c(C)nn(-c3ccccn3)c2C)c1=O 802721909 AUBZVPYGLKIADG-UHFFFAOYSA-N 406.471 0.780 30 20 HCED CON(CC1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808237162 FASBNAUTMJDDNA-GOSISDBHSA-N 414.462 0.592 30 20 HCED 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C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=S)NCC)n[nH]1 1821641677 ASWAJRNCCJNLTA-ZFWWWQNUSA-N 420.539 0.924 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1826681055 YXDMSNANBFJJOX-CABCVRRESA-N 401.467 0.508 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830349327 GCEVTSFCPOJJEE-KUHUBIRLSA-N 410.492 0.546 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)C1 1830705879 QZCWTXIMWVSHOW-ZOCZFRKYSA-N 421.494 0.582 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1831387951 UOUGRHHOJUVDQP-BLLLJJGKSA-N 410.364 0.382 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3C)C2)C1 1831393271 VNDIIMRHESWJRL-UTKZUKDTSA-N 401.463 0.498 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cc3ccco3)C2)C1 1831401755 DVYKBYAOEAXWSP-HMFYCAOWSA-N 418.490 0.953 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831495622 GAFATZBFTJQTSU-MJTSJRRZSA-N 413.540 0.437 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CSC)CCO2 1831530222 VRLRIAKXJFKSPU-OXQOHEQNSA-N 412.552 0.870 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831754397 GQZXPGDQFRRFCH-GOSISDBHSA-N 424.479 0.118 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)OC)CC1 1832063987 WGDOUTUPZGAYJX-ZPUOCTKUSA-N 420.510 0.821 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1833091297 DPBPKAZKNDNSHY-JOCHJYFZSA-N 423.473 0.833 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnnn1C)CCO2)C(F)(F)F 1833236740 RQCMQKHFJQCEJR-OAHLLOKOSA-N 403.361 0.004 30 20 HCED CC(C)n1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1C(=O)O 1833606454 JQFMXNYETBEBBN-IBGZPJMESA-N 419.438 0.146 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1834606863 TXDDVSKELRIEQU-KRWDZBQOSA-N 410.540 0.439 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)CSC(=N)N)CC3)CC2)c1 1834655345 ATWKMDMHZAXAOX-UHFFFAOYSA-N 417.539 0.698 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)CCc3cncnc3)CC2)CC1 1834845116 JWBUTJLCYLAQME-UHFFFAOYSA-N 413.478 0.069 30 20 HCED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835231348 ZCCSCPILJYHLHX-FRJAKYGPSA-N 413.471 0.008 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](N)c2ccccn2)CCO3)c1 1835703511 VRKSBSFGZXHTFX-GHTZIAJQSA-N 424.461 0.051 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)CC1 1836856165 SYVQMSIZMKYHLD-HOTGVXAUSA-N 407.511 0.535 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)n3ccnn3)CC2)CC1 1836861400 AQVUXRMGSLCPIT-IRXDYDNUSA-N 417.510 0.876 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1837307919 JPZDHDZCLLSAOF-QRWLVFNGSA-N 404.467 0.954 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1837493751 VTRSDRWZMQNPSP-XMSQKQJNSA-N 420.506 0.178 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837798853 FUUHNDFLLNDWDA-UGSOOPFHSA-N 407.427 0.600 30 20 HCED CC(C)n1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1838784221 XPNKKZWTNGAUTL-HXUWFJFHSA-N 401.467 0.838 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)nn1C 1838832240 UWXQNNIKWHGAEJ-LJQANCHMSA-N 405.455 0.048 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1839420962 PAHJLWVXWNUWSJ-VWKPWSFCSA-N 417.437 0.538 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)C1 1839627850 AQJDQCSNHCAIRH-OAQYLSRUSA-N 411.462 0.994 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989360 YRAANZZJGUSFDV-ACJLOTCBSA-N 417.528 0.286 30 20 HCED COc1cc(C)ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044889 FRRIREAPFYQCAB-OAQYLSRUSA-N 416.430 0.162 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840291406 PSRDFPUJSHVUHX-QFIPXVFZSA-N 405.539 0.978 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@@H]4CCOC4)C3)C2)CCC1 1840815979 MHLWSTPNCDFNTE-UTKZUKDTSA-N 405.495 0.953 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840845469 YKRIIVNYYSDOAL-QFIPXVFZSA-N 411.458 0.807 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840875237 HUDCGLVWDWFVCU-ZGYKXIANSA-N 422.526 0.341 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1841601463 SLLMKEVYPQBOPS-CVEARBPZSA-N 423.510 0.504 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 5364978 AOTPJGHJYYVDEF-CWTRNNRKSA-N 408.455 0.678 30 20 HCED C=CCNC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 22885976 PVIRAMARCJRDPD-UHFFFAOYSA-N 400.482 0.206 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CN(CC)c3ccccc3O2)C1=O 115371264 LLDHKPVEXOBAMY-CQSZACIVSA-N 400.435 0.709 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O 409479692 YBSGQBMIDXYMFY-GOSISDBHSA-N 408.524 0.917 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)CCO1 409499802 LCVFKDQTBJPQSH-HIFRSBDPSA-N 423.413 0.795 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409504609 VKHVOHSNMPEPDX-OAHLLOKOSA-N 416.525 0.180 30 20 HCED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1OC 409551880 VCCNEFSHBNRKGP-AWEZNQCLSA-N 410.496 0.798 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1=O 428970752 UUKQRFRXKQNVJU-OAQYLSRUSA-N 414.462 0.059 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1(CO)CCC1 429272436 NUTWOTOZLUOVDW-UHFFFAOYSA-N 406.508 0.238 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 444495891 NIDABJXKSHGDAZ-SKDZVZGDSA-N 417.491 0.193 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)c1C#N 472194618 OUBVFISQHGDSGR-UHFFFAOYSA-N 413.467 0.087 30 20 HCED COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 476410705 WKQOAEMRRVDLQB-SQWLQELKSA-N 407.496 0.920 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCCS(C)(=O)=O 477279181 HENFUXCBEQAOIZ-ZDUSSCGKSA-N 401.510 0.556 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 477994008 SNUPRANUASYEKK-UHFFFAOYSA-N 412.328 0.975 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CCn3nnc4ccccc4c3=O)C2=O)cc1 486019050 UTZMXXRAJKMUMZ-IBGZPJMESA-N 416.441 0.971 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 486079342 SCYSJTZEZNQDFE-UHFFFAOYSA-N 406.489 0.868 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC)cc1 493529268 QJSICQOHAYRHCV-IUODEOHRSA-N 415.537 0.660 30 20 HCED CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(F)(F)F 510447776 YQUJKWLUJRBQQK-NSHDSACASA-N 403.379 0.798 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cccc3c2OCCO3)c1=O 515655215 NAURWPZQHIQELC-UHFFFAOYSA-N 411.483 0.896 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2c(Cl)cccc2OC)c1=O 522806852 GEZYSYSPNOUUKY-UHFFFAOYSA-N 421.906 0.857 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OC)c(C)c3)c2=O)cn1 523863082 MWEOQPKMVLFSNF-UHFFFAOYSA-N 423.498 0.682 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 527352560 JWRMSQARHCODIQ-UYSNPLJNSA-N 407.496 0.976 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccon3)c2=O)s1 532194166 FZJZYAKOPWLJDX-UHFFFAOYSA-N 400.485 0.819 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 532501128 IUKKDTILOPENIR-KFKAGJAMSA-N 420.535 0.985 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 532691388 RMCHYPIMBCAWEB-HNNXBMFYSA-N 407.492 0.867 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(CCc2ccccn2)c1=O 533120351 HILFFERWDLJZCY-UHFFFAOYSA-N 408.487 0.013 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 537424360 DQPHSEQWIDVZRN-UHFFFAOYSA-N 415.537 0.750 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OC)CC2)cc1 539866364 GKRCRKFBJZOUPX-UHFFFAOYSA-N 404.423 0.459 30 20 HCED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542073504 MLHHLDXWNGXTJO-GOSISDBHSA-N 404.858 0.765 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)cn1 544621064 NZHMSRPSFHQRBR-UHFFFAOYSA-N 400.214 0.886 30 20 HCED C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549282508 KYUVZLJHOALJFS-INIZCTEOSA-N 410.478 0.889 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 552551043 YSVRYLQSFQRTLM-ZFWWWQNUSA-N 414.491 1.003 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)n2)c(Cl)c1 554668319 WZOBQRDYMCPMDH-OLZOCXBDSA-N 414.853 1.496 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1cnn(CC(=O)N3CCOCC3)c1)CC2 555771050 XNRMODOICQIDRA-UHFFFAOYSA-N 408.418 0.141 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 558524325 JLQKFSVPHJOVMI-NVXWUHKLSA-N 423.477 0.837 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC(=O)OC)C1 564059519 HAYHSZAMOCZZHT-STQMWFEESA-N 401.489 0.233 30 20 HCED Cn1nnc2c1C[C@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 565389177 AUSDEZOXIHGJAN-CQSZACIVSA-N 414.491 0.325 30 20 HCED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 567053425 AHRXVWJBAXOMGT-MRXNPFEDSA-N 423.477 0.719 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCc2ccccc2S(N)(=O)=O)CC1 571592622 ZKYGMDLDNKSQIM-UHFFFAOYSA-N 400.464 0.632 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@]2(C#N)CC2(C)C)cc1S(=O)(=O)N1CCOCC1 578705705 KJMYLBKTTXWQKT-QGZVFWFLSA-N 413.521 0.987 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 586037136 PPQBTCIFKTTYDA-UHFFFAOYSA-N 423.514 0.864 30 20 HCED CN1CC[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1c1ccc(F)c(F)c1 588126132 BECRZAQNYXZZFZ-QZTJIDSGSA-N 405.449 0.930 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 589441035 LJRRNCCHJDTQSR-HNNXBMFYSA-N 409.464 0.406 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 604131677 VEFPSXGAQQIMGF-UHFFFAOYSA-N 411.344 0.887 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1C 608967865 HUGMYCCEOXLIJM-UHFFFAOYSA-N 417.495 0.059 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 726282699 QAIAEJQCAYBLMG-NRFANRHFSA-N 411.462 0.412 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 731686562 ZLSRFJSHYRCLKI-UHFFFAOYSA-N 419.551 0.899 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 731765785 ZCFQAZAZFSMJLT-UHFFFAOYSA-N 422.507 0.521 30 20 HCED N#Cc1cnn(CCOC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1N 731771792 NTUYVVYVFJZVGE-UHFFFAOYSA-N 405.436 0.215 30 20 HCED COc1ccc(C(=O)NCCCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732907918 GEDDQHDBYTXQBC-INIZCTEOSA-N 421.475 0.171 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCSCC3)cc2)C1=O 748551293 QIQZILRQCWIOPI-UHFFFAOYSA-N 402.476 0.833 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 748567656 NCNVLUXRWBVYHM-CQSZACIVSA-N 400.435 0.677 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)nc1C(=O)OC 751028917 SQRBNPCHIQSSHZ-JTQLQIEISA-N 408.885 0.885 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)ccc2c1=O 753673479 JVNYTHBHMANDEY-GFCCVEGCSA-N 422.532 0.883 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCNC(=O)c2cccnc2)[C@H](C#N)C1 758338347 MMPFIFKJDSNQJP-HUUCEWRRSA-N 402.455 0.870 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCOC 763298496 CUMGDYZDMWBCCA-UHFFFAOYSA-N 405.501 0.432 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cncs2)c1=O 767885200 ZOJLOZQYBNRLOH-UHFFFAOYSA-N 406.533 0.678 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCNC(=O)[C@H]1c1cccs1)c1cc[nH]n1 772311553 OBRVRSCJAIHMES-OAHLLOKOSA-N 405.436 0.455 30 20 HCED C=CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 772711042 SELVWDYPOPYJLW-STQMWFEESA-N 402.494 0.730 30 20 HCED CCOC(=O)c1cnn(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1C#N 779461880 VSNDTEHCLKZUQW-UHFFFAOYSA-N 402.411 0.463 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 783012142 RIHFVEORAMLHRM-GFCCVEGCSA-N 415.493 0.540 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2=O)cc1 786369717 WNUHWXRPFOXKBQ-WCWVYFQPSA-N 423.425 0.759 30 20 HCED C[C@H](O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789782264 LEUUJGQVTUSPOB-JEEMYIIMSA-N 410.496 0.715 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(Cl)cc1F 807328504 KDBYXRJERGIONB-ZDUSSCGKSA-N 406.805 0.588 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1C#N 809501335 FCWJYLBPKZIHEU-UHFFFAOYSA-N 408.462 0.939 30 20 HCED CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810380355 IIFIFCITMCMZJP-UHFFFAOYSA-N 404.452 0.359 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O 814150728 FEIBCNVPNMQISX-ZIAGYGMSSA-N 420.466 0.821 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(COC)cc(C(=O)OC)c2)CC1 815449368 MPLPFAPLPZMVAX-UHFFFAOYSA-N 415.446 0.546 30 20 HCED CN1CC(=O)N(CC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1=O 857721944 YKXTZJDIQXHENL-UHFFFAOYSA-N 411.336 0.610 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916892573 MZCACSHRWLUSKV-OAHLLOKOSA-N 418.475 0.319 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)n(C)c1=O 916911017 UDAWIPLKZNAZNJ-SNVBAGLBSA-N 414.809 0.435 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 918477645 JGWXVTATPBKVSM-XQEBGNCTSA-N 421.523 0.648 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1004897541 MHWHHXPWHLOPSQ-CQOGHXNDSA-N 402.451 0.329 30 20 HCED CS(=O)(=O)N1CCCc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc21 1251774988 INZSIPGFZVKVMY-ZPHPHTNESA-N 418.475 0.655 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C(C)(C)C1 1296986916 RTYQCJMPPLCQHJ-CYBMUJFWSA-N 405.455 0.972 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@@H]2CCS(=O)(=O)C2)C1=O 1318565141 UQOCICZSGYJQOY-VXGBXAGGSA-N 412.493 0.345 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nnc(-c2ccc(C#N)cc2)o1 1319292264 QMDOYKGDUONSNO-HNNXBMFYSA-N 403.464 0.733 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1359474260 PHHFXZGAOONVFN-BZUAXINKSA-N 424.527 0.900 30 20 HCED CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1359605316 ZJMAUGNPJPSLOC-UHFFFAOYSA-N 405.480 0.734 30 20 HCED CCOCc1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1503009679 PSNFEIRQLAWFJC-CQSZACIVSA-N 416.573 0.789 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1518167862 SDIUYGMLMNVAFL-MRXNPFEDSA-N 422.449 0.836 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC(=O)N2CCOCC2)CCO1 1521130748 ZYCPTWIXXKUZDO-CQSZACIVSA-N 400.414 0.672 30 20 HCED COCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555305052 SCFSWTYTAUTUGC-INIZCTEOSA-N 418.498 0.572 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCS(=O)(=O)C1 1555555444 UBVRFWALCMCUHF-OAHLLOKOSA-N 424.527 0.315 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCOCC1 1611686899 NUYSDHACBXTJDY-WBMJQRKESA-N 400.480 0.757 30 20 HCED COCc1nc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cs1 1619673820 KXAAQVUFSHPDMS-CHWSQXEVSA-N 403.468 0.609 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1622134792 MRPUAZJGOBTABH-OLZOCXBDSA-N 412.434 0.436 30 20 HCED C[C@H](NC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCOCC1)c1ccccc1 1629007055 YQTSSSNDCIJPOV-HNNXBMFYSA-N 411.462 0.837 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1664314655 NMSJCQZEJQVUNG-CQSZACIVSA-N 406.505 0.319 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1681288220 SYOOFKSQBORMOW-CVEARBPZSA-N 403.464 0.570 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1695435832 NOXHLEJGBUMLFX-MRXNPFEDSA-N 408.466 0.557 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cn1 1706890685 PJNAEESPYJPNFU-SMDDNHRTSA-N 409.447 0.199 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)CCO1 1712884344 KFSSAJNXWDLMMW-QGZVFWFLSA-N 418.461 0.823 30 20 HCED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749096896 XAWRALOBWWGEBC-AWEZNQCLSA-N 424.303 0.929 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1760696041 OLISYQZMKOAIOM-KGLIPLIRSA-N 410.544 0.938 30 20 HCED Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnc2c1 1777996624 OBPOLGSMJKLXBJ-VLIAUNLRSA-N 416.503 0.765 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778081136 GIRJCUZPJVJFEO-NOAAKOMESA-N 420.535 0.716 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1778885980 OCTFXBBDXIVLIX-OPYAIIAOSA-N 407.511 0.736 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1778969124 CLTGZNWCARTMGF-FGSXEWAUSA-N 416.522 0.875 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1779013668 JLOHOAVVSRSNKK-PDQMUUICSA-N 404.467 0.615 30 20 HCED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780335235 VMMAZWQMLJJEML-FQEVSTJZSA-N 412.450 0.487 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cn5ncccc5n4)CCO3)C2)c1 1780335295 QRLWNIMKRRXKOY-HXUWFJFHSA-N 405.418 0.686 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1780786941 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IXSCPOPUIXDBJG-UHFFFAOYSA-N 420.476 0.257 30 20 HCED CC(C)(C#N)c1ccccc1CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 487357509 BNRZFXYCXWUSGP-GOSISDBHSA-N 418.563 0.909 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(Cc4ncc[nH]4)CC3)C2=O)cc1 488244674 FFBJSHFEEXRNTK-GOSISDBHSA-N 407.478 0.910 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(Cl)c1 490458817 PCOIJSULNIMUHI-UHFFFAOYSA-N 403.870 0.917 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1 493923454 BOOZXZBTRJOJJM-MRXNPFEDSA-N 400.479 0.722 30 20 HCED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](CNS(N)(=O)=O)C1 500306309 JBCSCXXKHVDROJ-NEPJUHHUSA-N 411.553 0.941 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 509411279 SCCRZKJUVBDULS-LBPRGKRZSA-N 422.479 0.750 30 20 HCED CC[C@H](C(=O)OC)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 511799054 CKXWDLBFYKGXOG-QGZVFWFLSA-N 418.498 0.073 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512123888 OKZYBRQNZHEWND-NSHDSACASA-N 417.426 0.922 30 20 HCED CNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1C 514497246 PFBHOTFNNUOYHC-UHFFFAOYSA-N 401.492 0.763 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 517643485 FIPZQDSKAVDELB-LJQANCHMSA-N 423.560 0.797 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1Cl 518077724 OAOZLMJOCSFKRF-UHFFFAOYSA-N 412.837 0.993 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 518605232 VVIQXJUKQZYFCR-ZDUSSCGKSA-N 404.489 0.637 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCC1 522883050 HVQAKWWVESRNER-UHFFFAOYSA-N 404.448 0.544 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cc1 532750911 MXXMHMZKCBVZSW-AWEZNQCLSA-N 409.468 0.083 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 536140992 KBMMGJBUQFATBZ-UHFFFAOYSA-N 405.480 0.502 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CC1 542939737 PFHWXAAVXITJHI-UHFFFAOYSA-N 420.472 0.480 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(O)CCN(C(C)C)CC1 543273863 ZQSWXWVWNHAYGT-UHFFFAOYSA-N 418.494 0.873 30 20 HCED CO[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cnn(C)c1 545258222 BENTVAWFDRTBIM-QGZVFWFLSA-N 403.464 0.512 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)no1 556035743 PHWSCTNDNJQQSB-HNNXBMFYSA-N 424.461 0.815 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)NCC(=O)NCC#N)c1 557781736 FIGSFHLMWDVQBL-UHFFFAOYSA-N 407.496 0.297 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC(=O)OC)C1 564059516 HAYHSZAMOCZZHT-CHWSQXEVSA-N 401.489 0.233 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 566883029 HDGPJKIXMLDXFM-QUCCMNQESA-N 420.473 0.942 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C 567242702 OKPGZNVUYBPEFG-DZGCQCFKSA-N 422.507 0.922 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(=O)c2ccc(C#N)cc2)[C@H](C)O)cc1 568425657 QTKBJRYBTMMTEH-LIRRHRJNSA-N 415.471 0.894 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(N3CCCNC3=O)CC2)c1 580137925 VCUVBSWPLSVTJQ-UHFFFAOYSA-N 405.480 0.243 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)c1 584176512 LBEULEZPGVNDGF-UHFFFAOYSA-N 406.446 0.060 30 20 HCED N#Cc1ccc(CS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 604126242 LNSFUEIGZRMJFA-UHFFFAOYSA-N 407.473 0.948 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 604168579 DMBVDKYFWKFQPT-UHFFFAOYSA-N 422.445 0.495 30 20 HCED Cn1c(N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c(C#N)c(=O)n(C)c1=O 609564157 NLUSUTXOBXEHJR-INIZCTEOSA-N 403.870 0.465 30 20 HCED CC(C)[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)N1CCCC1 610535236 HCYNWRRPFIHVOF-KRWDZBQOSA-N 423.477 0.900 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 613156971 CSDQCSYEQZOEBQ-BFUOFWGJSA-N 408.422 0.947 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O 729241919 JJSDSACBMAXXEC-FQEVSTJZSA-N 424.417 0.874 30 20 HCED CC(C)[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)c2ccccc2C1=O 731888716 KAPFGBNMBOAOMA-HVESIFNPSA-N 410.430 0.950 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 747855233 YULIAUSBIQTEKP-UHFFFAOYSA-N 412.490 0.830 30 20 HCED O=C1NCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccccc1 748786612 SZXPYSVAAWFRQL-GOSISDBHSA-N 412.471 0.815 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)CC1 748815649 NUEGWBPGUZMHFL-UHFFFAOYSA-N 408.506 0.230 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c2=O)cn1 751825777 YYFVRIOIBUIUEE-UHFFFAOYSA-N 405.549 0.517 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@@H]1CCCO1 753207246 XOKNXQRCQVKVCG-SJORKVTESA-N 400.545 0.861 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 756230872 JLYARWPKAHUUOD-USJZOSNVSA-N 407.426 0.560 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 756886670 OZCSVIWVCWWDOD-AAEUAGOBSA-N 412.468 0.818 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 765354230 UMWZKLFVHLACCA-AWEZNQCLSA-N 402.476 0.213 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)CC[C@H]2C1 766047206 GOAOHWMQBZPKHZ-HOCLYGCPSA-N 418.519 0.973 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 766985835 ZIDUDSJANSNGPS-LBPRGKRZSA-N 422.463 0.909 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)cc1-n1cnnn1 766988560 QDUJNFVYRVQGPS-UHFFFAOYSA-N 414.403 0.670 30 20 HCED C#CCC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(C(=O)C(C)(C)CC#C)CC1 768710327 PQNNOMACARXFLX-UHFFFAOYSA-N 409.552 0.676 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 783479702 NALFSAMHYZFVPN-MRXNPFEDSA-N 419.503 0.721 30 20 HCED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 784850435 WADHPLCAUBCZFN-ZIAGYGMSSA-N 421.475 0.337 30 20 HCED COc1ccc2c(c1)nc(CNC(=O)C(=O)NCCNc1ncccc1C#N)n2C 787776862 XKBHKUMAUYMMMS-UHFFFAOYSA-N 407.434 0.693 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 792387604 LDMLAZWTUCZTKV-CYBMUJFWSA-N 409.464 0.326 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)ccc1F 794162512 SSENTEZAVUOFPR-VXGBXAGGSA-N 404.485 0.938 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)cc1 801514465 SAFLQEPLLDUPCO-UHFFFAOYSA-N 400.416 0.274 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCc3nc(C)ncc32)n1 806238385 XVDOZQQVFLBMPC-IBGZPJMESA-N 410.478 0.784 30 20 HCED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 807924650 QGPJEUCKFSNNLU-QGBVPWCLSA-N 422.445 0.559 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1)[C@@H]1CCCO1 809311553 VLVQRWIFMHXACC-OALUTQOASA-N 418.538 0.124 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COc2ccccc2[C@@H]1O 811577688 XENIBVORSQYRON-XZOAIXRZSA-N 401.444 0.836 30 20 HCED CC(=NNc1nccc(N2CCOCC2)n1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814871649 YTPWSHVFPBRZQU-UHFFFAOYSA-N 418.479 0.408 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCN(O)C1=O 816756288 UVAZFSXAKYWTOV-KBPBESRZSA-N 408.480 0.780 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H]3CCN(S(C)(=O)=O)C3)ccc2c1=O 816814855 DXTOAVCNRWISPO-CYBMUJFWSA-N 422.532 0.977 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821727276 ARQBHDPOCBSWSE-KPZWWZAWSA-N 406.464 0.711 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1 839237623 NRGQCABUVKNWPN-UHFFFAOYSA-N 405.483 0.746 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(F)cc2F)c1=O 916198304 LEHQCURRGIOBKX-UHFFFAOYSA-N 407.442 0.862 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 916867306 BJJVPVPEUGOEOW-QRWLVFNGSA-N 418.425 0.844 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 919182805 UGCDDWZXOMTJLP-DOTOQJQBSA-N 405.426 0.635 30 20 HCED Cc1ccc(C(=O)NC[C@H](CO)CC2CCOCC2)cc1S(=O)(=O)NCC#N 1116801617 IUAGAJDDKCCGLC-MRXNPFEDSA-N 409.508 0.952 30 20 HCED CC(C)(CNS(=O)(=O)c1ccc(Br)c(C#N)c1)NS(C)(=O)=O 1309161430 ZLCUUQLKSZUAFX-UHFFFAOYSA-N 410.315 0.927 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(C(N)=O)cc1 1322629563 UEZKWDIKDOOXOF-ZDUSSCGKSA-N 400.460 0.983 30 20 HCED CN1CCN(C(C)(C)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1339084242 RWOMIWOULICRLY-UHFFFAOYSA-N 421.567 0.648 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 1342603661 AFHFPQGQBPMAKY-ZDUSSCGKSA-N 407.386 0.602 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNCCCN1CCOCC1 1344575156 YZWKTSAJLYGHGE-CQSZACIVSA-N 403.936 0.850 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1359474898 YIJGMWJXXSYEEE-GHMZBOCLSA-N 422.433 0.455 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1519524039 TVJIYDAXXAMIOY-UHFFFAOYSA-N 416.507 0.953 30 20 HCED CCCNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1547235605 MVEPQWITKFZXRH-WBMJQRKESA-N 415.495 0.247 30 20 HCED N#Cc1cn(CC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)c(=O)nc1O 1584499653 REXLBODCHDBPIL-UHFFFAOYSA-N 413.459 0.577 30 20 HCED COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1586551262 SWUPBLPHSMCMKY-HNNXBMFYSA-N 411.418 0.767 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)o1 1612046320 VGDQMZSDOYLIMH-AWEZNQCLSA-N 408.484 0.903 30 20 HCED CC(=O)Nc1ccc(CN2CCC(NS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 1655385849 KWFGHAWIYURTMQ-IBGZPJMESA-N 421.523 0.668 30 20 HCED Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N1CCOCC1 1693508645 PCETYDTZFGDCTI-UHFFFAOYSA-N 409.494 0.639 30 20 HCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1741879068 YIMSUBGMACJPLK-NVXWUHKLSA-N 401.515 0.937 30 20 HCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1748051014 IREHHMDFAIHEIU-LAUBAEHRSA-N 409.494 0.585 30 20 HCED CC(C)(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1760772353 PJGIZDGCORGQBC-AWEZNQCLSA-N 403.487 0.548 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1767483844 PNFACPXDIVKDSZ-WMLDXEAASA-N 413.500 0.094 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777827658 UTHOIYFLLJWSFX-QFIPXVFZSA-N 416.441 0.620 30 20 HCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 1778056068 MTTXNOTWJYDLDE-OAQYLSRUSA-N 422.445 0.590 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1779106982 QORGAGDLVBGJJZ-MJKPFCIISA-N 423.510 0.896 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779137360 WJKMQHJLJKTYKO-IQTGRTGDSA-N 422.445 0.885 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780175333 XYMQYNUSPZCVGX-SOIKWTOOSA-N 415.494 0.929 30 20 HCED CN1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781028160 YBOLKADTKAJDHY-LAUBAEHRSA-N 405.543 0.582 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)C2)C1 1781081570 UNBBIOBHFKOYRU-KUDFPVQQSA-N 423.510 0.720 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC=O)C3)C2)c(O)n1 1781244176 LSZZAWAEYWGKHL-YCRPNKLZSA-N 416.478 0.484 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1781265910 WDEJVGGHODTFKF-UTKZUKDTSA-N 418.494 0.859 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1781270263 DTIMTTIOZCMHTA-HXUWFJFHSA-N 403.435 0.740 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C(\C)NC(C)=O)C1 1781457834 MNFGOWWPBXQUHR-CXJYHMKGSA-N 405.495 0.579 30 20 HCED CC(=O)Nc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1C 1781913983 SCIQXNPZUCHESM-OAQYLSRUSA-N 413.430 0.485 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1783055879 ZXPNVERAFJEKFY-GHTZIAJQSA-N 401.438 0.336 30 20 HCED COC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1784260018 FSWVSRHQRLCEIN-VZSQWMKGSA-N 421.475 0.673 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784352806 WCWLLLPGQJYNCQ-QRFQSNJMSA-N 416.522 0.918 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1784486344 AACSPJJLXPEUGS-XSLAGTTESA-N 407.511 0.475 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1784501515 NPNBPRWFUIAEJN-FHIRATQRSA-N 418.450 0.359 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784929135 LYBMHXBXTRPNBE-VGOFRKELSA-N 415.490 0.802 30 20 HCED CC(C)(C)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788657595 CCIFBTDLMKVLRW-FLOZDOSTSA-N 424.542 0.883 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CO)o3)[C@H]2C1 1788901544 UNFUQITZBMHWJA-IKICRFKJSA-N 406.479 0.938 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21 1789890251 IFLBQNVMMVDRFJ-ZVZYQTTQSA-N 417.462 0.890 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC(F)F)cc3)[C@H]2C1 1790100891 WHWHXNRSCSSWPE-BPUTZDHNSA-N 422.384 0.969 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)=O)C[C@@H]21 1792261186 BIXRRXKTJCVAFH-QAETUUGQSA-N 421.494 0.472 30 20 HCED 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C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C(OC)OC)CC2)CC1 1835714434 NGMPQXVQXUATNN-QGZVFWFLSA-N 411.543 0.750 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1837001085 ASQLBEALKTWZKC-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837088695 MFDJZWRLQYCFAI-IIBYNOLFSA-N 418.494 0.490 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(OC)CCC3)C2)C1 1837401980 BIWWIKDHINWKSI-HTAPYJJXSA-N 424.538 0.975 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445259 MMJGSVHNWFMWNG-CNSRZQHFSA-N 418.498 0.260 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795149 VYFIWZVWDJTPOE-SFHVURJKSA-N 408.499 0.440 30 20 HCED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cc1C 1838146351 LYWYJWREEUYUPC-HXUWFJFHSA-N 403.483 0.831 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N(C)C(=O)OC(C)(C)C 1839075295 JJGHPMRMWYEHAX-QRWLVFNGSA-N 424.498 0.612 30 20 HCED 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CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3(F)CCC3)CCO2)C1 1840620836 RQXZDEFUMCLYGE-LJQANCHMSA-N 410.490 0.617 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840835781 HJDHUGVBIKYZQT-VMTBQTDASA-N 410.467 0.457 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840842352 CGAJRRWOQRSONZ-QFIPXVFZSA-N 402.491 0.555 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843103943 UXQJMURMVVXHNK-HNNXBMFYSA-N 416.482 0.398 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)cc1 7469969 OHNHXAZCDDBWQC-OAHLLOKOSA-N 409.464 0.174 30 20 HCED N#Cc1ccccc1OCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 11212549 CBJALNSISYAXKF-UHFFFAOYSA-N 417.443 0.487 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1 29512166 YNPSRDQCHSJWEJ-HNNXBMFYSA-N 402.476 0.402 30 20 HCED CN(CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 61582348 MTYNEIFYJYKUKV-ZDUSSCGKSA-N 404.414 0.932 30 20 HCED C[C@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CN1CCOCC1 410136631 JTIYPHREWFAMSY-HNNXBMFYSA-N 407.414 0.939 30 20 HCED CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1C#N 428267036 VEXNSQPHUCHCCW-AWEZNQCLSA-N 400.526 0.473 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H](C)O1 443763532 IFBACZIVOPNLFF-OCCSQVGLSA-N 401.398 1.084 30 20 HCED Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444512260 RVDAGMACBFWMQK-UHFFFAOYSA-N 424.461 0.794 30 20 HCED Cc1ccc(-c2nc(CS(=O)(=O)NC3CC3)no2)cc1S(=O)(=O)NCC#N 445681068 BOEXRLSWCLNCCM-UHFFFAOYSA-N 411.465 0.429 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)cn1 460721091 XXBGXLMXRCXMTK-UHFFFAOYSA-N 409.450 0.401 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cnc(C#N)c2C#N)CC1 463778081 MFOAFFUQOVFKMP-UHFFFAOYSA-N 405.462 0.972 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 464965246 YDGKAWOTIALHRN-HNNXBMFYSA-N 414.514 0.121 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2=O)n(C)n1 465290483 ZQGDTPYZZOMLHS-HUUCEWRRSA-N 423.481 0.416 30 20 HCED COc1cc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc(OC)c1OC 468999246 LJHBVORAADOGTJ-HUUCEWRRSA-N 404.467 0.803 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)cc1 474133810 GVLSCSQKDVBYDD-SFHVURJKSA-N 412.471 0.899 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCc2ccc(OC)cc2)CC1 476200727 KQUQGTBYBWGAFV-UHFFFAOYSA-N 402.495 0.190 30 20 HCED CN1CCN(c2cc(N3C[C@@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)ncn2)CC1=O 480416758 MRLRJZXGSVBAHY-SZNDQCEHSA-N 403.446 0.605 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 481807436 LKZWTBCHTZEFCX-DOTOQJQBSA-N 408.524 0.794 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCCCS3(=O)=O)C2=O)cc1 486497201 KRKGRWOKJXRHFU-IAGOWNOFSA-N 404.492 0.926 30 20 HCED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C[C@]12C(=O)Nc1ccccc12 489061381 HXJGMSKMNJHVRT-JTVJFQFKSA-N 404.426 0.810 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 489567007 OHEATEXHJSSUEN-UHFFFAOYSA-N 407.496 0.595 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 492295635 QFGQRNGCFRGTOJ-OAHLLOKOSA-N 420.491 0.922 30 20 HCED COC[C@@H](C(N)=O)N(C)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 500418713 HFTOGFVAGBMHMK-HNNXBMFYSA-N 400.395 0.944 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 501433905 HZIDKRXNGONVFC-UHFFFAOYSA-N 419.488 0.724 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 503929531 RHVLNXUTXRXEFO-INIZCTEOSA-N 407.496 0.681 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CC#N)CC1)n2C 508068116 DIRDFXUWGUAFLS-UHFFFAOYSA-N 418.523 0.424 30 20 HCED C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508886174 XSLBPNWNSORLJD-CQSZACIVSA-N 412.450 0.199 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)n1 510609009 XACPOMZFIUZEAI-AWEZNQCLSA-N 418.255 0.795 30 20 HCED N#C[C@@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C[C@]12C(=O)Nc1ccccc12 513594222 RNSFTXJTMBSWAW-WBPRFABPSA-N 416.437 0.989 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H](N3CCNC3=O)C2)cn1 521966674 XDUAPXSSDZPUQV-HNNXBMFYSA-N 408.422 0.094 30 20 HCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC)n(C2CC2)c1=O 522149657 XWNPEKUALTTYJW-UHFFFAOYSA-N 414.443 0.801 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(Cc2cccs2)CC1 530904936 PVWMJROJDAZLEK-UHFFFAOYSA-N 405.568 0.940 30 20 HCED Cc1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 533895888 OHXCBZRMWCFFRW-UHFFFAOYSA-N 414.491 0.915 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 541362106 VNCKIZCXHDLBNJ-QWHCGFSZSA-N 411.480 0.802 30 20 HCED C=CCN(CC(=O)O)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 548237756 QJIRKDHAAZATTM-UHFFFAOYSA-N 416.399 0.789 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CC1 550207437 YCEDLQHRTXFSME-UHFFFAOYSA-N 422.493 0.279 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 550906655 XKIKWZIRESMAOF-HKUYNNGSSA-N 401.511 0.547 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C 551683778 RVNJBOVVFZDFMX-UHFFFAOYSA-N 411.405 0.520 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 553671982 FGCHRINEPVCZCR-IBGZPJMESA-N 409.490 0.936 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)c1 557498302 XFHVXYGVFTWXSP-KRWDZBQOSA-N 409.508 0.860 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)C1=O 559381658 WDWQCXYIQJNFAX-HZPDHXFCSA-N 420.535 0.483 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)C1=O 561759418 HWMSWARVNAETEK-HOCLYGCPSA-N 414.462 0.162 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2)C[C@@H](C)O1 562377058 ATTHGARTGOIMET-ZIAGYGMSSA-N 420.491 0.843 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 575209713 GEINWZCTPBMOQC-LJQANCHMSA-N 420.473 0.893 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@@H](NCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)[C@H]2C1 577981160 FHIYSOQJGWNOFY-OKZBNKHCSA-N 414.510 0.740 30 20 HCED CC(C)CCN1CCC(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 583464595 YOSFMIFWXOPCHL-UHFFFAOYSA-N 417.558 1.129 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 603996972 PXIFDKQUUMNFGK-UHFFFAOYSA-N 409.467 0.798 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CCN2CCN(c3ccccc3)CC2)C1=O 606419893 RAPDKJWEHCFNHW-UHFFFAOYSA-N 413.478 0.244 30 20 HCED N#Cc1ccc(CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c(F)c1 609231959 RYYBJZSJWBZLFH-UHFFFAOYSA-N 404.379 0.569 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C(C1CC1)C1CC1 609703733 FXZZNLBIEQZBAQ-UHFFFAOYSA-N 424.526 0.932 30 20 HCED C=CCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611637587 CERDDQQFXDJDQY-OCCSQVGLSA-N 415.493 0.754 30 20 HCED CC(C)[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)N1CCCC1 613103115 BAGPXEXQGGHGDY-INIZCTEOSA-N 409.450 0.841 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)nc1 726795620 WKWLVERSAGREFL-UHFFFAOYSA-N 421.504 0.884 30 20 HCED CCN(CCC#N)C(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 728158457 OQALXQZMKXGWQQ-SFHVURJKSA-N 422.438 0.512 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 729256588 BVLRXPFSMXVUPQ-UHFFFAOYSA-N 410.434 0.678 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCC1=O 733777988 IRLBFXBEMHUEML-CQSZACIVSA-N 420.491 0.549 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)n(C)c1=O 734081620 PHSQTUDDMLMUGJ-GFCCVEGCSA-N 421.442 0.829 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc21 743803047 CSLPPZFTBMMWDY-UHFFFAOYSA-N 400.416 0.719 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)c1 749694496 HTPAVMZMRZUZGR-MOLDEKSUSA-N 408.480 0.325 30 20 HCED C[C@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN1S(C)(=O)=O 758768600 IOAIUHWIAYPKLR-MJBXVCDLSA-N 415.516 0.421 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 770736620 SZPVAYMRKDTFMT-AWEZNQCLSA-N 404.417 0.211 30 20 HCED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCOC[C@H]2C#N)C1=O 771379155 OEELIOZRBVXXES-CXAGYDPISA-N 421.251 0.967 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1OC(F)(F)F 771898561 ZTWMEMITDQXDKH-UHFFFAOYSA-N 420.369 0.685 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 783013696 MVLDQLWIMMHABD-UHFFFAOYSA-N 400.545 0.363 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 783045296 KYDCHGRDBNXKMZ-UHFFFAOYSA-N 416.450 0.944 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccccc2OCCC(N)=O)c1 783455603 XNFCDZGYSYYZOR-UHFFFAOYSA-N 422.441 0.958 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1 783480684 SIBWQFMZZLOPAD-HNNXBMFYSA-N 400.460 0.768 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 784923655 ZRIFCWCWPBXHRB-UHFFFAOYSA-N 420.469 0.924 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 787774323 HAJNKQIQTNXHMI-IAGOWNOFSA-N 400.483 0.241 30 20 HCED CCOC(=O)N1CCC(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 788078765 YJMQPVGLTTUFBM-UHFFFAOYSA-N 424.527 0.673 30 20 HCED CCOC(=O)CON=C(C(=O)NCCc1ccc2c(c1)OCCO2)c1cc[nH]n1 789955397 ZIPQIHNYRDRKSH-UHFFFAOYSA-N 402.407 0.824 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC1 790840810 YGXIMFORAUNELR-UHFFFAOYSA-N 403.426 0.847 30 20 HCED CC(=O)N1CCC[C@H](CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 794020731 RHBDOTQUJWRVNB-DZGCQCFKSA-N 406.508 0.878 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2c(C)cnn2C)c1=O 795197326 LASNETIEZJIEPU-UHFFFAOYSA-N 421.457 0.866 30 20 HCED C=CCN1CC[C@H](OC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 798577308 LYMRRSFBSJSQOD-HNNXBMFYSA-N 410.448 0.456 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 804120476 OTJHLCLRBMGKAL-UHFFFAOYSA-N 423.311 0.996 30 20 HCED C=CC[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccncc1 805808088 QECPCRFUHDWZBP-ATIWLJMLSA-N 408.458 0.738 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 807454145 LOHULTZNENVVEN-CYBMUJFWSA-N 411.455 0.659 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)[C@H]1CCCO1 809307244 BLNWPKGXLQNVGQ-QZTJIDSGSA-N 401.438 0.797 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 809539046 MNKBXLYIWLJRHU-KURKYZTESA-N 400.479 0.565 30 20 HCED O=C(CS(=O)(=O)Cc1ccc(Br)cc1)N[C@@H]1CCCN(O)C1=O 820475823 AMMJOCKEHKWIIX-GFCCVEGCSA-N 405.270 0.860 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CC1 917132439 RGWIHJYVMYNPLK-LJQANCHMSA-N 401.492 0.562 30 20 HCED CC(C)CC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1116288333 LKMOMAHMTREZBY-HNNXBMFYSA-N 406.508 0.942 30 20 HCED N#Cc1ccc(NCC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc1 1290931898 NTWUTWRYJFPFPZ-UHFFFAOYSA-N 400.464 0.361 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NC[C@]3(O)CCS(=O)(=O)C3)CC2=O)cc1Cl 1297993970 OOCKHLQZQSQVPX-SJKOYZFVSA-N 411.867 0.230 30 20 HCED CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1314306714 RHHIRUVNODBVLN-LJQANCHMSA-N 419.507 0.872 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1359465910 NNWRYJHTHBGUPP-OAHLLOKOSA-N 403.487 0.359 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](c4nn[nH]n4)C3)CC2=O)cc1Cl 1443452930 QXOMZAPAMOCTAZ-FZMZJTMJSA-N 401.814 0.678 30 20 HCED C[C@H](C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)n1cnc(C#N)n1 1451969356 VKYYENCODZBECQ-CQSZACIVSA-N 402.480 0.258 30 20 HCED Cc1nc(=NC(=O)Cn2c(=O)nc(O)c3ccccc32)n(-c2ccc(C#N)cc2)[nH]1 1457653286 ZIRWTSCZWNBKQH-UHFFFAOYSA-N 401.386 0.924 30 20 HCED CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1513762986 JFWREFHAUWNREJ-CYBMUJFWSA-N 416.486 0.498 30 20 HCED CCS(=O)(=O)NCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1552408967 JCNIHLIMIPRDPE-HNNXBMFYSA-N 409.560 0.691 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1552728485 NMJTUPZUPKXAGE-INIZCTEOSA-N 416.507 0.918 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(CCC#N)CC3)CC2)c1 1557981842 VBCRLEZSPDXPPA-UHFFFAOYSA-N 419.551 0.505 30 20 HCED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(OCC#N)cc1 1584654706 MYKVCJCIMCADHA-BLLLJJGKSA-N 409.489 0.995 30 20 HCED 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0.862 30 20 HCED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)COC1 1839776403 HPNUKKAJLXLFJW-HSZRJFAPSA-N 412.486 0.921 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1839889107 BLFMWVJBSMTTNB-INIZCTEOSA-N 400.382 0.397 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1)C(F)(F)F 1839893061 KRWQBUPHYKCYPN-KRWDZBQOSA-N 414.384 0.974 30 20 HCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C)n1 1840042848 QKLRDPUUKSGKES-OAQYLSRUSA-N 415.446 0.110 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1840167763 LVXPBNZPHAGRBV-HXUWFJFHSA-N 405.451 0.695 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1840169274 UONZTAJRNBNQTM-OAQYLSRUSA-N 406.479 0.756 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455780 KIZNLPRLDCCFOB-ICSRJNTNSA-N 422.551 0.820 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840535806 BFVJXLRSOYYIGW-SFIWVIFNSA-N 405.451 0.191 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)CCC1 1840812710 GRBWOUDAGPGBTN-HXUWFJFHSA-N 401.419 0.404 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C1 1841428964 BMTORJXHUJNZAL-CVEARBPZSA-N 423.510 0.504 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389487 BCJXLGLWSCOBSA-GNZXAGPDSA-N 406.399 0.664 30 20 HCED O=C([C@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283856 ZICHFEVPZRJNHI-MRXNPFEDSA-N 408.520 0.466 30 20 HCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2)NC(=O)OC(C)(C)C 1846934799 SCUJNYXLVYTRBX-CQSZACIVSA-N 422.530 0.532 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H](O)C1)C2 1847071291 XEBAPOBFEVZTGU-XHSDSOJGSA-N 405.495 0.877 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 22086157 XVENCJDPXGRFGY-UHFFFAOYSA-N 407.434 0.971 30 20 HCED CCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C[C@@H](C)C#N 140406216 JIKDOHLEGMXJSC-INIZCTEOSA-N 408.524 0.805 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 409565154 IIAMWEVGGKRLOJ-OAHLLOKOSA-N 401.577 0.739 30 20 HCED COc1cc2c(cc1OC)CN(CCNS(=O)(=O)N1CCO[C@@H](C#N)C1)CC2 409580825 IEIKJNPRCLTLTC-INIZCTEOSA-N 410.496 0.121 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1n[nH]c(C)c1C#N 431691957 NGBNXQZFZARTJE-UHFFFAOYSA-N 405.436 0.872 30 20 HCED N#CCCn1cc(CNc2ccn(CC(=O)N3CCOCC3)n2)c(-c2ccncc2)n1 433327357 SCKSVIKUJJKIHY-UHFFFAOYSA-N 420.477 1.526 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 439545561 DMXGIZNPKQFVRU-AWEZNQCLSA-N 408.480 0.763 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCC2CCN(CC#N)CC2)c(C(=O)OC)s1 443504560 YAZJLDLEWYYLFP-UHFFFAOYSA-N 415.493 0.835 30 20 HCED COCc1noc(CN2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 444730295 FFFIZPOHJKMKRI-QGZVFWFLSA-N 419.530 0.026 30 20 HCED N#Cc1c(CCCNC(=O)c2nccnc2C(N)=O)nn(-c2ccc(F)cc2)c1N 462025943 KVXNTYGCFYSDKB-UHFFFAOYSA-N 408.397 0.717 30 20 HCED N#C[C@@H]1N(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCC[C@]12CCCCO2 468669187 RCWBTRGPOHEHRT-SUMWQHHRSA-N 410.452 0.111 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCC(=O)N(C)CCc3ccccn3)CC2)c1C#N 472103970 LSLJGFXKAMZZDR-UHFFFAOYSA-N 424.509 0.528 30 20 HCED C[C@]1(C2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 476262056 VRUHLOGLMLYTFE-VGOFRKELSA-N 423.473 0.886 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1 480469877 KZKYVKRTZPCLGO-GFCCVEGCSA-N 422.488 0.652 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 480847494 VOANAPNAZPNJRN-GOSISDBHSA-N 420.535 0.530 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CC1 482561395 OTVDTIGDJGNPTD-UHFFFAOYSA-N 400.485 0.444 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 484634477 RCTJRNIJBMAZNU-UHFFFAOYSA-N 411.480 0.735 30 20 HCED C[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 484769172 ZVKSVUOXPQDRAW-HNNXBMFYSA-N 422.507 0.576 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)Cn2c(N)nc(C#N)c2C#N)ccc1Cl 490141192 AQMCDEVMXQJGNG-UHFFFAOYSA-N 407.843 0.751 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C(=O)NC)cc1 498687736 VLTSFOAKAPPUIH-HZPDHXFCSA-N 422.507 0.463 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCN2C(=O)CNC2=O)CC1 499918446 CWQZNICERVOZOR-UHFFFAOYSA-N 412.406 0.691 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C 504871368 TUKDPGWFKXUBNJ-MRXNPFEDSA-N 410.434 0.348 30 20 HCED CN(C)c1ncc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505153205 RBEFSLOVCXCOEI-INIZCTEOSA-N 407.434 0.665 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)NCC(F)(F)F 506926456 FFEZYHVQMRKLEB-VIFPVBQESA-N 404.374 0.762 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 508635213 BQSOPHQPTLTFTL-SFHVURJKSA-N 421.461 0.846 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 509003629 YJGMAQCGOVUBLX-OAHLLOKOSA-N 411.466 0.939 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 509206292 WBTCFKFJYCWBRH-ZIAGYGMSSA-N 406.464 0.462 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)nc2n(C)c1=O 510157358 WXFBETLZSGUECZ-INIZCTEOSA-N 418.457 0.482 30 20 HCED C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)NCC(=O)NCC#N)CC3)cc2NC1=O 511901981 RVLLEEAMCNUVCU-GFCCVEGCSA-N 413.434 0.650 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 518210655 OEZFLOPUTRFPLA-UHFFFAOYSA-N 414.447 0.039 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCCN1CCN(C)CC1 532302985 FGNACPZSMRKXMN-QGZVFWFLSA-N 400.531 0.596 30 20 HCED CCCN(C(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCS(=O)(=O)C1 536344105 RZHVTNFONQLWHX-KGLIPLIRSA-N 410.544 0.542 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 541763411 IUDXYYMWAKLUOC-MRXNPFEDSA-N 413.521 0.535 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cc1 544871304 CNNXIWZORDFCIV-INIZCTEOSA-N 414.466 0.995 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 546005688 VIYHFYMTXZLKAV-UHFFFAOYSA-N 416.459 0.741 30 20 HCED Cc1noc([C@H]2COCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 547804635 VIRSTJUGGNNDBC-OAHLLOKOSA-N 405.436 0.470 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C1=O 551197966 KDSSENNWGRORAE-LJQANCHMSA-N 413.522 0.170 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 552902521 NFQTZLPXSBLPSE-AWEZNQCLSA-N 419.463 0.500 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CC2)nc1 553884782 RFMOQZQAHGPODC-UHFFFAOYSA-N 416.445 0.499 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 559723058 LWRXVKHRFGEUPP-IDAWXYBZSA-N 413.430 0.687 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2=O)cc1 564065774 CLURHJRZVGEJRM-OALUTQOASA-N 409.490 0.867 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCCN1Cc1ccccc1 566638069 ODMLOXUTICHCJM-KRWDZBQOSA-N 423.521 1.035 30 20 HCED COc1ncc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C(N)=O 567456217 BADZSAGIECUGEM-CYBMUJFWSA-N 410.390 0.074 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 569009876 DNKUPCKWHJYPOR-KRWDZBQOSA-N 401.511 0.285 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1=O 573833665 RHSDYWXIVAOQRS-RTBURBONSA-N 414.506 0.115 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1 574611719 DHCUNJMSNGJXIA-JSGCOSHPSA-N 405.398 0.856 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1nc(C(F)(F)F)cs1 576421812 PLSMSIXDCBGXHQ-UHFFFAOYSA-N 415.401 1.046 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 585681982 GFVWXKWTZZFEJC-UHFFFAOYSA-N 417.466 0.907 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F 588905766 ZXNIZWKBHPMNAS-OAHLLOKOSA-N 418.516 0.778 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1=O 590709569 JYDSIQVRRUOVHF-UHFFFAOYSA-N 421.379 0.786 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1OC 603109394 ABDNRLMVLFAHIH-UHFFFAOYSA-N 415.475 0.832 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 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0.962 30 20 HCED COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 737305881 JSJDPNDBELBCDF-PFONDFGASA-N 420.809 0.708 30 20 HCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)C1 746394565 QOEJYXGZEHPUIE-CVEARBPZSA-N 415.498 0.184 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnnn3CC)c2)CC1 749640498 RCNGNGPHYFPINH-UHFFFAOYSA-N 409.450 0.287 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)CN(C)C 752479222 MTBVMSGBNQKCBZ-KXBFYZLASA-N 410.540 0.713 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 755533659 CMUBLBFEUPIDEY-RYUDHWBXSA-N 405.459 0.847 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2=O)cn1 761117895 AMWIYOIDWKGPHF-AWEZNQCLSA-N 400.370 0.322 30 20 HCED Cc1ccc(NC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)cc1S(N)(=O)=O 761220408 SBZBGRCGALHBTH-UHFFFAOYSA-N 416.411 0.905 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(C(=O)O)c(F)cc1F 761240419 SZWDHLWNVGCYPE-UHFFFAOYSA-N 403.407 0.900 30 20 HCED 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424.486 0.794 30 20 HCED COC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)[C@H](C)C2)cc1 409592507 REFPLWYYLYSCHD-RHSMWYFYSA-N 408.480 0.453 30 20 HCED COc1cc(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc(OC)c1 410149964 YLVHLZKRTOYDDM-GOSISDBHSA-N 410.496 0.291 30 20 HCED Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 434766616 OFOPWUYLRWRVKR-INIZCTEOSA-N 409.450 0.826 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(NC(=O)NCC(N)=O)c1 435489870 LWWQJKQUGBEQGH-UHFFFAOYSA-N 403.420 0.974 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)[C@@H](C)CC#N 439318969 CJYXDUCXIVXORI-AWEZNQCLSA-N 408.480 0.715 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1=O 439457336 QPCNECHKVWEXOU-ZOBUZTSGSA-N 418.498 0.770 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CC(N)=O)C1CCCCC1 442031835 VNTLOCFVOGBTOA-INIZCTEOSA-N 423.477 1.326 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(Cc3cscn3)CC2)cn1 460597421 JFMKHHIREGBOLO-UHFFFAOYSA-N 422.474 0.878 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 466936285 PTMZHUPSUUDKIM-ZIAGYGMSSA-N 411.470 0.321 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(OC(F)F)n(C)n3)CC2)c1C#N 472872880 TYYMDLZSOJYUHX-UHFFFAOYSA-N 422.396 0.222 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)nc1 474354671 JXAWKIYJDHIBMH-UHFFFAOYSA-N 423.542 0.662 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@]1(C#N)CCOC1 478651992 OPTLXSQDBCBAHM-IBGZPJMESA-N 417.491 0.868 30 20 HCED CCN1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480820170 JWXNSZMSFPXCSF-INIZCTEOSA-N 407.540 0.369 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 500599296 HFAJNOFVRVLLRA-INIZCTEOSA-N 406.490 0.952 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccnn2C)c1=O 502006803 UWUXCENRVUWABD-UHFFFAOYSA-N 417.535 0.488 30 20 HCED CN1[C@H]2CCC[C@H]1CC(NC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 507852826 RLPDQXKZYRUKMC-UFYCRDLUSA-N 423.517 0.907 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(OC(F)F)c1 508374189 AQBPKHQRBNOQDX-UHFFFAOYSA-N 408.321 0.293 30 20 HCED C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508845593 CGTHARRFKLGCFA-UHFFFAOYSA-N 423.481 0.399 30 20 HCED C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508938968 OZBVSFLANZDQNR-UHFFFAOYSA-N 423.481 0.687 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(CC)s2)c1=O 518200595 RVWDAFQJPPTXKM-UHFFFAOYSA-N 403.529 0.985 30 20 HCED CCN(C(=O)Cn1cc(Br)cc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 519034942 HSWYQKZPSVECJD-GFCCVEGCSA-N 402.270 0.518 30 20 HCED C=CCN(C(=O)NCCN1CCCS1(=O)=O)[C@@H](C)c1cccc(-n2cnnn2)c1 521796763 IRZJQAZMQPLMQF-HNNXBMFYSA-N 419.511 0.956 30 20 HCED C=CCN(CC#CCN(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 530464301 WWUILPWKRWNRJY-QZTJIDSGSA-N 400.566 0.340 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 540273007 TTZOZMLEOJUXLO-UHFFFAOYSA-N 418.479 0.455 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc2c(c1)CCS2(=O)=O 540972354 OMOOYEVUKBJTAF-UHFFFAOYSA-N 402.480 0.968 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 541083049 VZNMLPCHZQCHSA-UHFFFAOYSA-N 406.445 0.093 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 549235238 UXYLNELTGZCGNG-OAHLLOKOSA-N 418.541 0.440 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 550664818 YCUXIYNCPWHWGW-GOSISDBHSA-N 420.473 0.947 30 20 HCED COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 554471915 YFHDHVSFHCKFFX-MRXNPFEDSA-N 402.432 0.918 30 20 HCED COCCn1cc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 558199912 DZJZMLAPOIZLFO-LJQANCHMSA-N 410.478 0.382 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)C2 559591255 YCSRLCHAGBNRGO-QGZVFWFLSA-N 405.462 0.374 30 20 HCED Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3F)C1)C2 573634211 UBTYHRIAIDUVMT-OAHLLOKOSA-N 411.441 0.725 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)CC2)nc1 576381502 XXCVYJXDIVVYRN-MRXNPFEDSA-N 423.452 0.531 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 577752952 FXSUUFQUOQFKOU-SFHVURJKSA-N 400.479 0.909 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCCO1 579057453 WJWSSJLEDAVKBB-GBESFXJTSA-N 400.479 0.533 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)S1(=O)=O 584798360 JNOVPQQUXDOPAG-DZGCQCFKSA-N 413.521 0.603 30 20 HCED CC(C)(C)C(=O)N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589311285 GVJCCTGFLRMFHK-UHFFFAOYSA-N 406.508 0.990 30 20 HCED COc1cccc(Cl)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 605315570 TVRLLHVQBWWJAM-UHFFFAOYSA-N 419.890 0.785 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)cc1 606121089 AFQSIWOYQFKASZ-UHFFFAOYSA-N 423.473 0.753 30 20 HCED C=CCN(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)[C@H]1CCS(=O)(=O)C1 619564412 DMQFUBNKDPRPQK-ZDUSSCGKSA-N 403.460 0.460 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccccc2NS(C)(=O)=O)C1=O 623222947 DPQKQRXZHSNQAX-LLVKDONJSA-N 408.436 0.212 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)C1=O 733230364 NKVIETPQCIZEQA-CQSZACIVSA-N 414.418 0.969 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)NC(=O)NC3CC3)C2=O)cc1 733830288 GUMWMNDFQURRHG-CQSZACIVSA-N 413.390 0.295 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 737859556 BNEPLSGLQQWKTO-ZDUSSCGKSA-N 421.431 0.149 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1C 739830341 QSZDDFAAMQQAJB-UHFFFAOYSA-N 404.835 0.814 30 20 HCED C[C@@H](CC(=O)NCc1cccc(C(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742525478 CQBLTFGBOULWNL-LBPRGKRZSA-N 400.460 0.919 30 20 HCED N#C[C@H](C(=O)c1ccc(C(N)=O)o1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 747211128 VGLGLJJSYSXTLC-CQSZACIVSA-N 411.374 0.958 30 20 HCED C#CCN1CCN(C(=O)Cn2nnc([C@@H](NC(=O)c3ccccc3)C(C)C)n2)CC1 749873300 FZBCXCCFKPMCIO-IBGZPJMESA-N 409.494 0.578 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 754417902 UXCXPWNJTMWYFD-UHFFFAOYSA-N 418.878 0.815 30 20 HCED COC(=O)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1cccc(C#N)c1 756743556 DRDDISDWLLJLGX-ABAIWWIYSA-N 406.420 0.416 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)cc1C#N 757224353 HKXDVUMTSYMNSJ-OAHLLOKOSA-N 400.395 0.648 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 758478080 LAQREFNNQVKKCW-UBQVSUSGSA-N 418.454 0.571 30 20 HCED C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 759482503 IWOQCMQDCVKODN-IAGOWNOFSA-N 406.527 0.964 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2cccc[n+]2[O-])CC1 760179115 IJZYOSNPOPJPJO-UHFFFAOYSA-N 402.432 0.104 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCCO1 763465958 MUINFZWAFUEEIT-MRXNPFEDSA-N 414.531 0.847 30 20 HCED CCOC(=O)CON=C(C(=O)NCC(=O)N1CCc2ccccc2C1)c1cc[nH]n1 772178205 NQDNJQRXXVXCKL-UHFFFAOYSA-N 413.434 0.395 30 20 HCED Cn1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc(Br)c1=O 774095015 MZUBCZZOOKDPHV-UHFFFAOYSA-N 419.239 0.581 30 20 HCED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C1=O 776117034 HDIOBOSYSOQTAS-SFHVURJKSA-N 422.463 0.520 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 778810554 BMPTYJGCQIIEPL-VYDRJQSISA-N 423.425 0.759 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sccc2Cl)c1=O 782793121 OESJBNUBAAAGQX-UHFFFAOYSA-N 407.904 0.524 30 20 HCED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783063187 PAVQZLZFGUHYOG-AWEZNQCLSA-N 407.452 0.944 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785118770 SSASKMGBMCITEU-UHFFFAOYSA-N 412.406 0.225 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 785332507 KRAXEWRVKMPOKK-UHFFFAOYSA-N 401.354 0.238 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccsc1 790427603 HPDNIFBKVCUNFB-UHFFFAOYSA-N 418.525 0.683 30 20 HCED COC(=O)CC1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 791226068 WOBNBJYEYQBKKZ-UHFFFAOYSA-N 409.464 0.201 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 793194440 KXTIZRNXVUONDX-AWEZNQCLSA-N 411.505 0.837 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 793195226 IHSZICZSETWQQO-JHJVBQTASA-N 413.521 0.643 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(CN2CC[C@H](O)C2)c1 794571993 NLLIGPOGIGYLRF-INIZCTEOSA-N 414.487 0.930 30 20 HCED COc1c(C)cc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl 794922616 KKVQIUVDTZIGBU-UHFFFAOYSA-N 414.871 0.757 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 797378056 JEESQDRFJHMUJS-GTSOSZBYSA-N 406.464 0.199 30 20 HCED C[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)NC1(C#N)CCCCC1 803862602 NLILBUQQBXHTDU-NSHDSACASA-N 410.452 0.130 30 20 HCED C#CCN=c1nc(N2CCC(CN(C)C)CC2)[nH]c(N2CCC(CN(C)C)CC2)n1 804356251 DTXNFJFRHCHHMX-UHFFFAOYSA-N 414.602 0.895 30 20 HCED C#CCN=c1nc(N2CCC[C@H]2CC(=O)OC)[nH]c(N2CCC[C@H]2CC(=O)OC)n1 804562219 AFXUQNDGEUNKKF-GJZGRUSLSA-N 416.482 0.402 30 20 HCED O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 804631712 OJADQNOYIRPYIM-YPWSZFOLSA-N 420.466 0.799 30 20 HCED Cc1nsc(N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)c1C#N 811785685 GIPSFFZJRLCHEP-UHFFFAOYSA-N 403.512 0.419 30 20 HCED CN(CCn1cc(Br)cn1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 812038360 MTSZLFHYLBIGRM-YPKPFQOOSA-N 411.260 0.813 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 814544663 NDCJTHTYDBRFGP-CQSZACIVSA-N 418.855 0.390 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 849069474 NDDWDDDEHQPDCR-SFHVURJKSA-N 402.543 0.386 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)[C@H](C#N)C(=O)NC)n2C 917001727 BYLLBZFQUNKISL-AWEZNQCLSA-N 419.507 0.991 30 20 HCED CN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918237174 MHOPGBRVENKHEI-PGMHBOJBSA-N 409.512 0.506 30 20 HCED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1 1192022077 QPSRWINPCXUNGM-VIFPVBQESA-N 408.299 0.633 30 20 HCED CNS(=O)(=O)NC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1194052694 YKMMUGMRIRBZKV-UHFFFAOYSA-N 411.553 0.955 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCS(=O)(=O)C1 1288773890 SYVBYXMLIIVEPP-AGIUHOORSA-N 418.545 0.061 30 20 HCED CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCC1CCN(CC#N)CC1 1319099558 SIRNKNLQCNTQII-UHFFFAOYSA-N 403.508 0.933 30 20 HCED CS(=O)(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1320735377 MHGHELAMOHGJGJ-KRWDZBQOSA-N 404.492 0.878 30 20 HCED CN(C)S(=O)(=O)N(C)CCc1noc([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1339210163 PYDPNWBZOSGVBU-AWEZNQCLSA-N 418.479 0.742 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1475466165 SNINWOLBDASINF-AWEZNQCLSA-N 414.528 0.731 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=c1ccn(C)c(O)n1 1628176559 HOWLCBGZSGDZTO-ZDUSSCGKSA-N 403.464 0.706 30 20 HCED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](c1ccc(C)cc1)n1cncn1 1631986590 MOHJMBUCDSCRHI-SJLPKXTDSA-N 407.434 0.905 30 20 HCED COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1652017781 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C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837665322 DUJDZDYVEHSKRD-OAQYLSRUSA-N 418.494 0.832 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)CC1 1838729093 NMICBCZNXBHONR-UHFFFAOYSA-N 421.494 0.332 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905370 CHKSRURNPLTLQV-GHTZIAJQSA-N 401.463 0.645 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839759648 FDKCUKJZDHRUAD-JXFKEZNVSA-N 424.494 0.377 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CC(C)=O)CCO2)C1 1840130366 OUEWMAUSRWRILY-LDBYXDLTSA-N 410.511 0.631 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1840161750 ZMMACSMTZMRWRH-ORAYPTAESA-N 404.492 0.951 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203895 ZAIDFAMQOQOTOV-CXAGYDPISA-N 421.416 0.334 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840361350 WEQCVULJGGHDCO-VGSWGCGISA-N 412.490 0.384 30 20 HCED CC1CCN(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1840812371 NLCVWFKKLZAQII-JOCHJYFZSA-N 418.538 0.869 30 20 HCED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844287611 GMGFCUIYXMNHJB-CQSZACIVSA-N 402.394 0.896 30 20 HCED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(OC)c2)C1 1844726909 MVJHDYSXFHPQMG-UHFFFAOYSA-N 415.519 0.868 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 12267992 YVPNCHUVGNONLL-SFHVURJKSA-N 409.464 0.765 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1 16559400 IZHOLCYSAOHUFV-LBPRGKRZSA-N 409.464 0.768 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)N[C@@H](C)CC)cc1 62632981 KDYQXGTYRZRWIS-UONOGXRCSA-N 424.523 0.851 30 20 HCED Cc1nc(C)n(Cc2cccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)c2)n1 428059559 BFAFZZLTQSMHHI-UHFFFAOYSA-N 421.465 0.808 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 434742435 NWZWMKFHOYWBOI-UHFFFAOYSA-N 414.466 0.003 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 436136726 XUGINGPWEMNDLY-KRWDZBQOSA-N 418.519 0.975 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)N1Cc2ccccc2C1 436644559 AJOYMECIBCWCAQ-CYBMUJFWSA-N 408.462 1.495 30 20 HCED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 437398298 RZOXCMHQLQHTHF-GFCCVEGCSA-N 412.443 0.403 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCCC2)cc1 439203037 VGZOAQNSNHSPHX-UHFFFAOYSA-N 408.524 0.986 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(OCCOC)C2)cc1 441478246 DFJTYLCRFACOSC-UHFFFAOYSA-N 411.480 0.305 30 20 HCED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 441508114 ZEQUBDXZAPNSSM-DYVFJYSZSA-N 404.492 0.600 30 20 HCED Cc1cccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1C#N 443079780 RFBBBRROBWADSD-AWEZNQCLSA-N 401.510 0.634 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ccccc3)C(=O)C2)cn1 462963338 KXTQOWJJOZFRLI-UHFFFAOYSA-N 415.413 0.953 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CC2)CC1 463347875 FSOPRYHBGKLJIV-UHFFFAOYSA-N 404.558 0.747 30 20 HCED N#CC1(CS(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 463425609 VMQNJZVRCYRION-OAHLLOKOSA-N 406.512 0.505 30 20 HCED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCN1Cc1ccccc1 463733907 FOEIDYZIAWEAMN-UNNPPQAFSA-N 408.458 0.385 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCOc1ccc2c(c1)OCO2 464863563 VMSIHNMRSDKNLO-HNNXBMFYSA-N 424.461 0.783 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 465390306 ZJJNLQHGPUVXMT-ACJLOTCBSA-N 406.464 0.259 30 20 HCED CCOC(=O)C1CCN(C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472163341 TVKSMPUEIQHZJB-UHFFFAOYSA-N 402.499 0.524 30 20 HCED N#Cc1c(F)cccc1-n1ccc(=NC(=O)C(=O)N=c2cc([C@H]3CCCOC3)[nH][nH]2)[nH]1 472930953 VDXJWTXAZLPAET-LBPRGKRZSA-N 423.408 0.921 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC)c2=O)n1 477008832 BOEKTDIBAMJNCI-UHFFFAOYSA-N 416.503 0.379 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 478321238 VGWDVBGYWUMBLG-MRXNPFEDSA-N 406.508 0.909 30 20 HCED CCN1CCN(CCCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482176265 KYMLDLQISMPNHE-KRWDZBQOSA-N 421.567 0.759 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 483446916 MQPUPAGFKBKMAG-LBPRGKRZSA-N 417.513 0.326 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@H](C)[S@@](C)=O)cc1 484552113 LNIOHDYAPFCDPZ-WHDAMIPWSA-N 415.537 0.705 30 20 HCED Cc1c(C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nnn1-c1ccn(C)n1 489061163 HPOQWFAXQNBTGL-RNODOKPDSA-N 402.418 0.795 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1=O 500332548 RXGAJFGHUWIEGE-OAHLLOKOSA-N 416.434 0.564 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1=O 500350980 CQCSDAZKGSDCOT-AWEZNQCLSA-N 416.434 0.564 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3cccc(Cl)c3)CC2)CC1 509033689 SPIVRMCFUAPTLD-UHFFFAOYSA-N 418.925 0.934 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)cc1 511820568 GUXGTPUYTWJYHT-UHFFFAOYSA-N 405.480 0.951 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)n1 514895988 VCEJUVYZFNKYMD-UHFFFAOYSA-N 416.445 0.817 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)NC(C)(C)C)c1 515708769 FQCMPNZVJOTGNZ-UHFFFAOYSA-N 403.526 0.599 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2[N+](=O)[O-])CC1 521860244 FTXPAIIWLMKLOR-UHFFFAOYSA-N 414.466 0.981 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C1CCN(C)CC1 522647428 NOZXAFKPNFGCJZ-UHFFFAOYSA-N 414.506 0.873 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1 523327533 AAZWDNASQDMWID-INIZCTEOSA-N 422.532 0.920 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCNC3=O)CC2)CC1 539413672 QPCBSOYMYOQGRX-KRWDZBQOSA-N 416.551 0.947 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N=c2cc[nH]cc2[N+](=O)[O-])CC1 541906233 GKDLXZCNHJABFH-UHFFFAOYSA-N 416.419 0.822 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H]3[C@@H](O)CC[C@H]3C2)CC1 543182274 XGKGZNXCEFYJKX-KSZLIROESA-N 418.519 0.094 30 20 HCED CN(C)c1nc(O)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 545205833 UDHAQUILDGLNEC-UHFFFAOYSA-N 416.463 0.267 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)n1 546200697 XXLDOPLOIFBSIL-UHFFFAOYSA-N 422.445 0.495 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 546708037 SCZCYLPFUZLZCI-AWEZNQCLSA-N 424.479 0.110 30 20 HCED COC(=O)c1cc(F)cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548697605 CORHYCFBHIHPOC-UHFFFAOYSA-N 409.399 0.844 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(C#N)cc1 560172775 UZPMYAYBVXODCO-CYBMUJFWSA-N 407.430 0.931 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1=O 562811579 TYWCQYSPYYKRNW-UHFFFAOYSA-N 410.333 0.345 30 20 HCED COc1ncccc1CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 564497131 KSBRBXQUZTWUPK-UHFFFAOYSA-N 405.418 0.899 30 20 HCED N#Cc1ccc(CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2CC2)cc1 564801663 QVYWFADJGRTBGR-QTQZEZTPSA-N 422.445 0.478 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)n1 580943454 IBTPMYCJVYSHNU-HXUWFJFHSA-N 405.418 0.407 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 588055997 OCHPVWPWFXILGP-RBUKOAKNSA-N 409.490 0.376 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CC2)c1 588203194 YFHQRSASLOJEPU-UHFFFAOYSA-N 416.445 0.499 30 20 HCED COCCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589392781 QBVZACZAMFRKFW-UHFFFAOYSA-N 411.480 0.653 30 20 HCED CN(CC(C)(C)CN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589459620 DGPXQQQDUBSYDV-UHFFFAOYSA-N 408.524 0.653 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)CC2)c1C#N 589966647 LJQUCITZZRXDAI-CQSZACIVSA-N 406.512 0.378 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 609285742 OLUKERIPVIUZJG-MSOLQXFVSA-N 406.508 0.550 30 20 HCED C=CCSCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 611637852 YQZMNVJXFHPUSA-BBRMVZONSA-N 400.522 0.855 30 20 HCED COC(=O)c1cccc(C(=O)NCC#CCNC(=O)c2cccc(C(=O)OC)n2)n1 614022086 NXIZJXSHKAWVSO-UHFFFAOYSA-N 410.386 0.213 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CC[C@](F)(C#N)C2)cc1C 617622024 KIFXZIYCPBDVBY-YJBOKZPZSA-N 410.471 0.680 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)CC1 731477128 SBXDCWPJLLUZFW-UHFFFAOYSA-N 417.473 0.631 30 20 HCED C#CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 733161203 KPDQOYDSBURQTF-UHFFFAOYSA-N 405.520 0.418 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 742551548 RAIFSEWRBJHKRO-HLBVEJKMSA-N 409.493 0.994 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 746042071 QPOJKOGSDPORPK-UHFFFAOYSA-N 413.409 0.219 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)CCc3ccc(OC)cc3)CC2)CC1 746504748 ZHEVZOBGSKEMLR-UHFFFAOYSA-N 412.534 0.549 30 20 HCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)c1 752236383 UWPRHKTZKKZSLN-UHFFFAOYSA-N 413.415 0.677 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 753662027 IDJFGNYPSHARFQ-CQSZACIVSA-N 418.431 0.205 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CS[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 754706288 FVQRAZKRUJSAIL-CVEARBPZSA-N 407.517 0.696 30 20 HCED Cc1nn(C)c(N2CCOCC2)c1C=NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 755465814 QSHIBDFJLGNCSF-UHFFFAOYSA-N 423.455 0.567 30 20 HCED CC(=NNc1ccc(C(N)=O)nn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 756835100 JGRFKCBHKGDVCR-UHFFFAOYSA-N 404.452 0.433 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)cn2)c1=O 758061644 IPQCIYIAEQRGGB-UHFFFAOYSA-N 410.524 0.325 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 761023160 DZQDWWQFTNDOMH-ZDUSSCGKSA-N 422.334 0.818 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 761024525 OXYJXKNMPFKDEP-TVRKMHQQSA-N 409.556 0.391 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)c2cccc(C#N)c2)c1 764760336 WJDCZGZMBPCFTJ-UHFFFAOYSA-N 403.416 0.810 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(F)(F)CO)cc1 768334351 VKMQFEUYPNNDOJ-BKUYFWCQSA-N 418.422 0.182 30 20 HCED C=CCNC(=O)NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N 768435028 APAWQULNXREYQA-UHFFFAOYSA-N 422.467 0.789 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 774619478 BIAFZKWOZTUYGO-HUUCEWRRSA-N 403.449 0.774 30 20 HCED O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 777908682 IKUHEHJKNVESRH-SNVBAGLBSA-N 418.397 0.252 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 778964821 WXQCVOQIGLYZAX-QJFLOZKYSA-N 422.507 0.858 30 20 HCED COCCCN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 782969432 VFJJFORJQYPUKZ-HUUCEWRRSA-N 423.491 0.968 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 783480668 LIHXMFLKEWCRDG-CQSZACIVSA-N 418.450 0.907 30 20 HCED C#CCn1cc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cn1 788212933 VMWSAQNGVUCBLC-UHFFFAOYSA-N 406.464 0.518 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)cn1 801286394 AANWZQMJSXNZPM-UHFFFAOYSA-N 422.401 0.936 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 803785767 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30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CCO2)C1 1829627085 SKYKSZAZTGEFIO-LIRRHRJNSA-N 423.491 0.912 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnoc4)C3)C2)cc1 1829902516 RZWNRZZIGVQUTO-OAQYLSRUSA-N 410.430 0.859 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1830646231 VDVVQEJTYXMCFW-NRFANRHFSA-N 417.510 0.893 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc(C)n(C)n4)CCO3)C2)C1 1830946548 ZRPOLLYASKJVOM-OAQYLSRUSA-N 402.495 0.694 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830973064 RNGAAVZIWCTNKR-QFBILLFUSA-N 408.524 0.820 30 20 HCED COCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CC1 1831374142 OGSQJSIHVZGMHD-OAQYLSRUSA-N 422.526 0.151 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1831421021 DDVVHCIVGKIPCM-IFXJQAMLSA-N 410.446 0.518 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO3)C1 1831448253 AOPWVGQJCAMIRC-KXBFYZLASA-N 414.524 0.090 30 20 HCED CC(F)(F)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831684259 KGBWYIBYZOQJQC-GOSISDBHSA-N 402.394 0.212 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1832065362 WJDXLKCHNQAVQC-UGKGYDQZSA-N 412.490 0.722 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1832454164 DJKVRXULCZZGCN-IBGZPJMESA-N 408.476 0.838 30 20 HCED Cc1noc(C)c1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1833063776 DRGBORLCSPWLDH-HXUWFJFHSA-N 404.467 0.984 30 20 HCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1833330833 XNXLJMDKNLPQGF-HXUWFJFHSA-N 415.450 0.414 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cncn3)CC2)CC1 1833469241 NJYKMIFBNBBBCS-DLBZAZTESA-N 416.526 0.449 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834445378 DKYTXBBIALAAMH-JXFKEZNVSA-N 406.483 0.063 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465893 WDTFVHVFEAMGDC-GWJWUGQSSA-N 421.523 0.685 30 20 HCED 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C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccccc2=O)CCO3)C1 1837680441 KRCHICZORURUIT-JTSKRJEESA-N 415.490 0.832 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838404871 SOVONPFOYOPKKU-VGSWGCGISA-N 423.554 0.848 30 20 HCED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)CC1 1839223527 YLHJFKHNKRSWEJ-OXJNMPFZSA-N 411.499 0.670 30 20 HCED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362472 VTMJGAHUSQSLHK-JOCHJYFZSA-N 423.473 0.870 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839733628 RPSFDQVEGWDMAW-REWPJTCUSA-N 409.486 0.893 30 20 HCED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1839829639 QPCICVUUONMOFP-XJDXJNMNSA-N 420.487 0.923 30 20 HCED Cc1ccccc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044501 KERBBTXRFLLEKH-QFIPXVFZSA-N 414.458 0.472 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1840158269 JSBMJANIGSFKGD-JNAXZKDPSA-N 422.503 0.601 30 20 HCED 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CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844672847 XITKZGQIXMLDHL-INIZCTEOSA-N 401.492 0.861 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CN3CCCC3=O)C4)c2c1 1845581328 BOCMTCDRZISXMZ-UHFFFAOYSA-N 406.446 0.874 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CC(O)C1 1847518097 VXUOVABQFDKKSL-JWRYVHENSA-N 405.495 0.876 30 20 HCED CN1C(=O)C[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1 409497510 BQITVEYHRXPTKM-HZUKXOBISA-N 400.407 0.295 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 409503630 WIJCZJGYQZCWFW-SECBINFHSA-N 400.935 0.606 30 20 HCED C=CCOC[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)C(C)(C)c2ccccc21)C(=O)OC 435951740 XEJWPKOJSFCZPA-VFNWGFHPSA-N 404.463 0.922 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(O)(C(F)(F)F)CC3)n2)cc1 438662538 AEKVTZBXGFPPKL-UHFFFAOYSA-N 422.367 1.052 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCC(=O)N2CCOCC2)c1 443478173 ZBDJWOMZRRPHAL-UHFFFAOYSA-N 402.270 0.848 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447781642 CHJWJCUKCYJDIG-CQSZACIVSA-N 406.467 0.741 30 20 HCED CCN(C(=O)CNc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H]1CCS(=O)(=O)C1 460764966 IEDJXULGMRVAKU-OAHLLOKOSA-N 402.480 0.895 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1C#N 462419733 KKLILWLEPGWYAZ-GFCCVEGCSA-N 405.885 0.135 30 20 HCED N#C[C@H]1CN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CCN1Cc1ccccc1 465947260 GKFHKWXBIGNIJS-PMACEKPBSA-N 412.538 0.993 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2F)c1=O 470457281 ASYWBGBNASPTGO-UHFFFAOYSA-N 407.854 0.601 30 20 HCED Cc1nn(C)c(N2CCN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1C#N 472095462 PTKKPVMXAWMZIO-KRWDZBQOSA-N 423.433 0.963 30 20 HCED C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 475596311 QEVLERGEGLAHKK-PWSUYJOCSA-N 419.912 0.429 30 20 HCED CC1C[C@@H](C(=O)N=c2ccn(CCC#N)[nH]2)[C@H](C(=O)N=c2ccn(CCC#N)[nH]2)C1 481776186 HCMHLZPAQCPUNN-HZPDHXFCSA-N 408.466 0.990 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486492178 WSTFCGYTJYDUDB-MRXNPFEDSA-N 407.496 0.286 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487510418 DCLFHVSNIJWXOB-IAGOWNOFSA-N 419.507 0.382 30 20 HCED CC1CCN(C[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 487761799 XXCSKYRWRZYPSZ-DOTOQJQBSA-N 408.524 0.434 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCOC)CC1 491213864 PWHULSDKOYGJAN-UHFFFAOYSA-N 418.494 0.405 30 20 HCED C[C@H](Cc1ncc[nH]1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 495279330 DXZXZIUHXFIOBL-OAHLLOKOSA-N 417.491 0.762 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 502293961 UJBVDZIECDPWBJ-SJLPKXTDSA-N 404.442 0.656 30 20 HCED COCC(=O)N1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503202538 UMCSEMAQMIQKHB-GOSISDBHSA-N 413.478 0.990 30 20 HCED CN(CC(=O)NCCC1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 508312687 WNLRUPRBNZNCQR-UHFFFAOYSA-N 413.521 0.510 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCC(C)(C)C#N 510700874 OXTXIDQTGRFXTB-UHFFFAOYSA-N 401.467 0.687 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)C1=O 510747244 HXYMCNJONXRVRC-UHFFFAOYSA-N 411.393 0.873 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1oc(=O)n2C 511700668 ODSXGSQDEVXCPY-LBPRGKRZSA-N 421.417 0.469 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CN3C(=O)CN(C)C3=O)c(C#N)c2N)cc1 531461301 GAMXOLHYTUSLCX-UHFFFAOYSA-N 409.450 0.577 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4c(nnc4C(F)(F)F)C3)CC2)o1 533425245 DQNZVPOVXSTVPF-UHFFFAOYSA-N 424.387 0.629 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)n1 538030961 ZWMGDEBOLRPGGH-UHFFFAOYSA-N 415.498 0.215 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2cccc(C#N)c2C)cc1S(N)(=O)=O 538768779 WSTVFIPFXLAUSE-UHFFFAOYSA-N 416.459 0.820 30 20 HCED Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)nn1CCC#N 539719141 MECIQNDLBSSKNM-INIZCTEOSA-N 411.466 0.830 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 540755301 OJJYTYLFNCVIST-UHFFFAOYSA-N 400.888 0.658 30 20 HCED N#Cc1ccc(CSCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 543412297 ULKSKXMJGSYEDO-UHFFFAOYSA-N 406.493 0.443 30 20 HCED CN(CC(=O)N1CC[C@H](NC(=O)NC2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 545497731 MSXDERXSKMSSHB-HNNXBMFYSA-N 405.480 0.241 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)nc1 556019549 UJDODNQZCZOSGS-CQSZACIVSA-N 419.397 0.415 30 20 HCED CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 558039882 JBKIXDODCITELC-DLBZAZTESA-N 416.501 0.144 30 20 HCED Cc1ccc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 560893497 DQQYXUCTXLLHEL-IBGZPJMESA-N 405.458 0.838 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)cc1C(F)(F)F 562321444 CEASWFBNKSSRDI-PRHODGIISA-N 405.354 0.916 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCC(=O)c1ccc(C#N)cc1 576231626 NVTXRLXTSHNDAJ-LBPRGKRZSA-N 403.464 0.575 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 576405607 LBSCXGLYSYMRHF-UHFFFAOYSA-N 402.459 0.302 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 580351113 RHEUVPUTVFZUDD-NSHDSACASA-N 415.269 0.409 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCO2)CC1 583275856 ANMBGLQJJOOVKY-ZWKOTPCHSA-N 418.542 0.775 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)CC1 584148953 RYLYLXVNQLNBPX-UHFFFAOYSA-N 407.496 0.595 30 20 HCED Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589488314 WQTWSNPWTPUGJN-LJQANCHMSA-N 412.471 0.845 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccnn3C[C@@H]3CCOC3)C2)nc1 590272738 AMUVRFNTUHYJFI-HOTGVXAUSA-N 410.434 0.805 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ncc(C)s2)C1=O 600107724 XUXGGZDRXNJQNL-JTQLQIEISA-N 423.476 0.268 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)nc1 609005494 NMIFYCDCOXLPCS-UHFFFAOYSA-N 417.433 0.653 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610738556 HYJGQQCMJKUGSH-UHFFFAOYSA-N 404.414 0.972 30 20 HCED COc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1OCC(=O)NC1CC1 615631235 BOPLGVVBOCUCKS-IBGZPJMESA-N 404.398 0.755 30 20 HCED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C1 619520990 QUXWRCWIPBQSHZ-SFHVURJKSA-N 405.480 0.957 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 728532547 BAPVFVBJFWRQHM-GOSISDBHSA-N 414.481 0.572 30 20 HCED Cc1nnnn1-c1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1F 732432771 YWONRUSXIGMWLP-NXVVXOECSA-N 400.374 0.758 30 20 HCED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732907905 GASMRQRZFHFSEW-YJBOKZPZSA-N 420.487 0.941 30 20 HCED N#C[C@@H](C(=O)CSc1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732908513 NQRDXTHNPRKWSP-ZDUSSCGKSA-N 410.473 0.516 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H](C)CS(C)(=O)=O)C1=O 733200675 HIHJCRTURGDEBH-IJVAKHEJSA-N 412.537 0.493 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 743880753 GDVRWRZVQPQIOV-UHFFFAOYSA-N 419.434 0.871 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C#N)C1 754378440 FNQDMJVNLJTTIY-AWEZNQCLSA-N 408.480 0.848 30 20 HCED C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 764687246 VKSHVMMUEWDIOK-BZFXOVTRSA-N 422.507 0.979 30 20 HCED CCc1nnc(S)n1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 765658899 RIBCRYWXDUUUIP-LLVKDONJSA-N 408.509 0.484 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)CNC(=O)c1cccnc1 766397139 JSDMNDNKKQPSSX-KGLIPLIRSA-N 416.459 0.982 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(C)CC(F)(F)F 767625674 CUHCWBPTSHUGEG-SNVBAGLBSA-N 407.370 0.789 30 20 HCED CN1C(=O)CN(N=C2C(=O)N(Cc3ncon3)c3ccc(Br)cc32)C1=O 768382412 PHLBFQNJAJCRCO-UHFFFAOYSA-N 419.195 0.977 30 20 HCED C#C[C@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 773547979 JWAGMTKFUSZDHO-BBRMVZONSA-N 410.452 0.890 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNCC(C)(C)S(C)(=O)=O)CC1 774496100 JUJARDVTBMCOEZ-UHFFFAOYSA-N 405.546 0.580 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 776140627 DLQXUAZBDFYCJD-UHFFFAOYSA-N 415.493 0.317 30 20 HCED COCc1noc(CN2CCN(C(=O)NCCNc3ccc(C#N)cn3)CC2)n1 780296882 FKEWDMNBWXKQKC-UHFFFAOYSA-N 400.443 0.422 30 20 HCED CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)cc2)CC1 782131519 NSFBMFIEPYZBKU-UHFFFAOYSA-N 420.473 0.872 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)c1 783453454 WVBBIEGJJXXRKN-UHFFFAOYSA-N 407.430 0.800 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)c1 783465266 VSNUNSXZDBCWMJ-UHFFFAOYSA-N 424.413 0.234 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 783480507 RHAHXMMRJSYQJC-AEFFLSMTSA-N 420.487 0.832 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 784768425 LQGDZNOUSOSJJI-HNNXBMFYSA-N 419.434 0.560 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)cc3F)cnc21 786563269 TXFIUKGKUKUCDU-CYBMUJFWSA-N 413.340 0.951 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 787076036 MICVENRUXKAMMO-IIYDPXPESA-N 418.416 0.774 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1)c1cc[nH]n1 789963046 GHIJTALHGBLSHA-HRCADAONSA-N 421.498 0.794 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2c(OC)cc(OC)cc2OC)C1=O 790102419 UAYXPPWAVRAATC-OAHLLOKOSA-N 405.451 0.574 30 20 HCED C#CCn1ccc(CN(CC)C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)n1 790117878 HGNHXUJVUSQNKM-APWZRJJASA-N 418.519 0.901 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCN(C)C(=O)OCc2ccccc2)CC1 793414587 UWSSBGKBDBMBFS-UHFFFAOYSA-N 400.479 0.539 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(F)F)cc2)c1=O 794628874 QIMFCOZANWIXLA-UHFFFAOYSA-N 409.439 0.919 30 20 HCED CCOC(=O)c1ccc(F)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 795829814 PMMRLPNVEUYINX-NXVVXOECSA-N 411.411 0.807 30 20 HCED C#CCC[C@@H](O)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 798487708 XGVRCVHLUCMMAL-SECBINFHSA-N 403.254 0.833 30 20 HCED COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCn3cnc(C#N)n3)CC2)cc1 804619136 CCLWYMOPJRBXON-VOTSOKGWSA-N 409.450 0.180 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 805640420 LYGWCUHCVBOEQZ-IBGZPJMESA-N 423.473 0.413 30 20 HCED CC1(C)OCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CO1 806651964 RPHFREDBKVQQBU-MRXNPFEDSA-N 400.435 0.043 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808239814 MVWPPHDAGCMCEX-CQSZACIVSA-N 405.252 0.800 30 20 HCED CS(=O)(=O)CC[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 813984387 UBDKQRSEZRTVFV-INIZCTEOSA-N 407.473 0.977 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 815338456 AXAPUKZUADBHNE-JKSUJKDBSA-N 421.475 0.613 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](CCS(N)(=O)=O)C2=O)cc1C 821047481 LDYTWOXCVVWAAH-HNNXBMFYSA-N 421.479 0.149 30 20 HCED CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 914761783 CKGCPFCCFGYSPH-HOTGVXAUSA-N 424.523 0.779 30 20 HCED COCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 917688971 YFHXLROMFVLEEH-HGNXGAGXSA-N 422.507 0.933 30 20 HCED C#CCCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1070374963 HXGQVDQCSSPJIS-GCGJSEPQSA-N 403.523 0.537 30 20 HCED COc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C(=O)N(C)C 1116079450 LRNNPHMFYLLJLD-MSUUIHNZSA-N 422.463 0.202 30 20 HCED CC(=O)N1CCN(CCn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)CC1 1286892201 STKBSVXXGLZWOC-UHFFFAOYSA-N 411.514 0.583 30 20 HCED CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1299204084 YJLQBTFTZWTNID-INIZCTEOSA-N 419.507 0.298 30 20 HCED COCCNC(=O)CN1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 1322737599 BSGVRXRWRYSRNW-KRWDZBQOSA-N 422.489 0.604 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 1323625746 QITGTJJNGHJJKZ-HNAYVOBHSA-N 418.475 0.310 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCCO1 1335896323 CJJFLGXFILCUCZ-OAHLLOKOSA-N 413.503 0.018 30 20 HCED CN(C)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1440772606 URTDEYOKWSVSNZ-OAHLLOKOSA-N 417.897 0.797 30 20 HCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1503806854 JIOGCTBNWFQMEY-UHFFFAOYSA-N 409.454 0.478 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1596823348 SSIMGRWWUMPZBA-HOTGVXAUSA-N 424.571 0.887 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1611633679 KKASVBACDGRXCV-ZDUSSCGKSA-N 414.495 0.863 30 20 HCED Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1612450932 OVFCNPZQUZYESL-HUUCEWRRSA-N 405.484 0.114 30 20 HCED N#Cc1cn(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(=O)nc1O 1627423605 ZOOBEBFHQHKHOI-INIZCTEOSA-N 417.853 0.664 30 20 HCED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 1674093467 UMRPLMSDPQOBOI-QGZVFWFLSA-N 419.507 0.952 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)CCO1 1712884343 KFSSAJNXWDLMMW-KRWDZBQOSA-N 418.461 0.823 30 20 HCED CC[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1747450869 OJGQBGMSRKAPLR-CFJPQMKISA-N 403.468 0.423 30 20 HCED CCN1CC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1767027143 HFLRPIPRBNPYGJ-HZPDHXFCSA-N 410.482 0.996 30 20 HCED O=C(O)c1cnncc1C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779522955 NBKCHXKPFCSVEC-QFIPXVFZSA-N 420.425 0.670 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1780807310 KQOHKJOOTSVEFX-MBOZVWFJSA-N 420.514 0.983 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccnc2C)C1 1781553748 NVDXKSALHMDHJR-YRISNDGFSA-N 402.495 0.744 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781779384 KOERZWWCDIULBP-AXHMDWHKSA-N 408.499 0.437 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1cccnc1)C2 1782011066 LCBVRLWENFZPKR-OXQOHEQNSA-N 401.419 0.062 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NS(=O)(=O)CC)CCO2 1783107646 MHDXRECCBDNKDE-DAYGRLMNSA-N 401.529 0.356 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCNC(=O)C4)C[C@@H]32)cc1 1783606171 FFZTVYSVEMSWJH-FYQPLNBISA-N 424.501 0.607 30 20 HCED Cc1cn(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)c(=O)nc1O 1785351171 HTCQMIFLQXLOFV-KXBFYZLASA-N 424.523 0.042 30 20 HCED COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378549 IMGSLQRPYBXRJD-NRFANRHFSA-N 417.462 0.430 30 20 HCED O=C(Cc1cncnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1785388962 HDOUGAQSVCACJQ-UPHAJYCBSA-N 414.510 0.471 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786744303 HYZKVKYVTBTQOO-XWSJACJDSA-N 409.527 0.280 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)N3CCOCC3)[C@H]2C1 1788651605 XBXXLOCQRJFTPT-KKXBDNRESA-N 421.538 0.385 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cncn3)[C@H]2C1 1788726019 OVTYWSSQXVBBQZ-ATIWLJMLSA-N 419.526 0.467 30 20 HCED Cc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1789035984 HBXHLDLVJLZSFQ-ULQDDVLXSA-N 414.510 0.660 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN(C)C(C)=O)C[C@@H]21 1789890051 ICBPITWCGAHEIU-BZSNNMDCSA-N 423.510 0.344 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])c(OC)c3)C[C@@H]21 1790792912 BYJFPQFOPDOTAU-MPGHIAIKSA-N 401.419 0.759 30 20 HCED CC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1790844879 MWRQROYBCYPWMZ-UFYCRDLUSA-N 412.490 0.607 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)NCC)C[C@@H]21)C(F)(F)F 1790883304 YJDBVMLCVXABCK-RFGFWPKPSA-N 420.432 0.792 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCCC3)[C@H]2C1 1792311498 LCWCUUDCNBZBQJ-CXLTZZKYSA-N 418.538 0.310 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3SC=C[C@H]31)C2 1792489978 CIOZNSITCUGAGG-RVEYIBMRSA-N 403.504 0.310 30 20 HCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC(=O)Nc1cc(C)on1)C2 1793565837 JKQLAQISNVOYEK-JONQDZQNSA-N 402.451 0.988 30 20 HCED C=CCCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)c(O)n1 1794490277 ARKJXCMLOOYSBQ-CCWDJLKJSA-N 419.478 0.118 30 20 HCED CN(CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2)C(=O)OC(C)(C)C 1795336276 IEIVUMZGPCYGQT-MIFYACCESA-N 406.483 0.747 30 20 HCED Cn1cc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cn1 1795768701 FUXCWWVCTLELHG-IZZQQSIFSA-N 416.526 0.224 30 20 HCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCC#N)C3)c([N+](=O)[O-])cc1O 1798594151 AMRRGGZBLWSXLV-KSPBDQMDSA-N 418.406 0.816 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1800986298 KLDLUMXBJXPRAQ-DPYKFYPSSA-N 401.492 0.993 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1800986299 KLDLUMXBJXPRAQ-MBMVNNNZSA-N 401.492 0.993 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(C)C(=O)C(=O)O)c1 1801330572 QDQMIGAYFDATRJ-BJWYYQGGSA-N 412.446 0.662 30 20 HCED C/C(=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)C(=O)O 1802015119 LQKJFWHXGKDJNY-USSVYPDBSA-N 409.439 0.136 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cncn2C)[C@@H]1c1cccnc1 1802482402 MTKQREIKUITQHB-KVANESHQSA-N 422.489 0.993 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CCC1 1804111906 PEGVAPBSDUUIFU-YYIAUSFCSA-N 405.451 0.813 30 20 HCED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1804173587 XRXOMYXTXMQFLJ-LPHOPBHVSA-N 416.551 0.847 30 20 HCED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CN3CC(=O)NC3=O)[C@H]2c2cccnc2)C1 1804182225 BWJHKYYOAYBFLA-DNVCBOLYSA-N 411.462 0.605 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814809674 BHIDGOXIPNDMJI-ZJUUUORDSA-N 415.466 0.859 30 20 HCED CNC(=O)CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C(C)(C)NCCC#N)[nH]n1 1815141983 WNPMCSWWXGNQAX-CQSZACIVSA-N 403.487 0.820 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815663122 WVJMYIHFLJWKNY-LBPRGKRZSA-N 416.511 0.629 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)sc2C1 1821745600 YXRQREHRYNHGSM-QMMMGPOBSA-N 403.376 0.693 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnn3ccncc23)[nH]n1 1822201935 ZGYFRZWXNXPSCM-AWEZNQCLSA-N 407.390 0.846 30 20 HCED COc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)nn1C 1822202506 UATOSIZTIWHRMM-CYBMUJFWSA-N 400.395 0.546 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825197922 ADKMWKPXMLTBON-CTRIVLPBSA-N 418.523 0.663 30 20 HCED NC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1828321794 CCVHCKSIIRTXCW-VFIRDPPASA-N 424.483 0.252 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829564125 QWNYCZLKXYYSAU-PIGZYNQJSA-N 415.899 0.829 30 20 HCED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829903172 LNRALKQHFFJZLL-JOCHJYFZSA-N 423.473 0.903 30 20 HCED COc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830054421 QKRPAOLMZLJBGY-IBGZPJMESA-N 405.455 0.048 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1830060654 YJDLLIKIBUZRBV-HXUWFJFHSA-N 418.498 0.653 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830764772 DWRUBHRZLWFSBX-SIKLNZKXSA-N 423.554 0.910 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC[C@@H]3C3CCN(C(=O)C(O)O)CC3)c2c1 1830822832 WBGXMIOQDCKRGM-QGZVFWFLSA-N 411.462 0.979 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1831395929 BUHRKQSNKLEMGG-UWJYYQICSA-N 418.494 0.572 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1831421540 KMVJPVMYHOLFKY-MGPUTAFESA-N 406.435 0.301 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1831438400 QDLBEMKOEACYJA-RJPLPAITSA-N 410.511 0.585 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1832452057 RHFZOSHMOCCJDX-SFHVURJKSA-N 400.497 0.315 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1833429243 JRPUVGFGRVPBOM-IBGZPJMESA-N 421.563 0.549 30 20 HCED Cc1onc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1C 1833605920 JVUAACOPBWMZEC-UHFFFAOYSA-N 402.451 0.565 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C)c1F)CCO2 1833667282 NFMQHWUAZVOFAZ-HXUWFJFHSA-N 424.473 0.910 30 20 HCED Cc1noc(C)c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834156830 OSOYNOAPIDIVOO-UHFFFAOYSA-N 402.451 0.565 30 20 HCED Cc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)co1 1834207030 WVGMGAVJTRAGKY-HXUWFJFHSA-N 419.482 0.335 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1834381706 WSIJJSQALCNPOB-HXUWFJFHSA-N 406.483 0.322 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1835097063 QVHCVQAOHJXYJG-QHCPKHFHSA-N 422.437 0.762 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)c(OC)cc(OC)c1F)CCO2 1835490238 CRIYTMSKKVXLJI-FQEVSTJZSA-N 424.400 0.685 30 20 HCED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835531003 MPADUJVPGZNPJR-YCRPNKLZSA-N 418.469 0.291 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CNc5ccccc54)CCO3)C2)CC1 1835716329 WIMCMWNJPAEEBM-VGOFRKELSA-N 410.474 0.956 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835963835 VTXMMYJSQZEFHQ-AWEZNQCLSA-N 405.499 0.892 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccnc3)CCO2)C1 1836177193 YDYSOZZFTYBJIM-GCJKJVERSA-N 415.490 0.509 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC=CO3)CCO2)C1 1837412377 HCRDAIULYGNJAI-FIKGOQFSSA-N 408.495 0.709 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1838011488 RQAVNUUALZTTEW-OAQYLSRUSA-N 424.461 0.845 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1838379518 ZBSTYMFQVLXCHJ-KRWDZBQOSA-N 420.510 0.434 30 20 HCED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1839065360 COHGPZZHSCAKFE-UTKZUKDTSA-N 415.494 0.298 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)cc1 1839363007 COYXZZXQVQONMN-XQBPLPMBSA-N 413.474 0.594 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1)C(F)(F)F 1839890976 FCXJHIVOZHQZMJ-WMLDXEAASA-N 418.368 0.888 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3ccccn3)C2)C1 1840166182 XEJKSGIQVXXUEC-DOXZYTNZSA-N 409.508 0.624 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1840166781 CJYOCKKTUZTMAG-OAQYLSRUSA-N 416.478 0.749 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840841082 BNKWTOFDUQXGSU-LJQANCHMSA-N 407.854 0.924 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129207 AOLUUXMEIYZYCU-LBPRGKRZSA-N 408.480 0.246 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C 1847825655 BTVFWKASARIANV-XDQVBPFNSA-N 401.529 0.986 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 41293216 PLWOMABOOKNYTD-UHFFFAOYSA-N 401.379 0.220 30 20 HCED COc1ccccc1CN(C)C(=O)CO/N=C(/N)C1=C(N)C2(CCCC2)N(C)C1=O 63456279 DVMXPCUJHJLMNY-UHFFFAOYSA-N 415.494 0.940 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 110017978 JUVLRSLRESGVDN-INIZCTEOSA-N 403.508 0.760 30 20 HCED Cn1c(N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(C#N)c(=O)n(C)c1=O 302611999 ATDJUXJHUNMHPP-HNNXBMFYSA-N 403.389 0.837 30 20 HCED Cc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410148099 PFMBFKFABVXJKP-SJORKVTESA-N 422.507 0.376 30 20 HCED C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCS(=O)(=O)C1 433166889 HFELZAKNOYPWSW-LPHOPBHVSA-N 422.526 0.901 30 20 HCED C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)C1 433466714 CIHOAKWAHIKBPN-WMLDXEAASA-N 404.492 0.735 30 20 HCED C=C(C)CN(CC)C(=O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439289901 QVVVJUWZBWQOEC-UHFFFAOYSA-N 400.467 0.862 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 439816614 YPDZHGVJDMLHAH-NCOADZHNSA-N 423.429 0.891 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)n2)cc1 442286129 AQARCSPTUOOUPG-KRWDZBQOSA-N 406.402 1.330 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 445641827 IUQHORQJFDNNIF-APWZRJJASA-N 409.490 0.819 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465276323 RAZJWCCXSAYISN-OAHLLOKOSA-N 424.486 0.872 30 20 HCED CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 469989714 DKEBDUYWDCHUHP-UHFFFAOYSA-N 406.508 0.238 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1C#N 472159245 SAFLZBBXLQLGMF-IBGZPJMESA-N 412.542 0.415 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 486966125 JVQXBUXDCKKGKT-INIZCTEOSA-N 409.450 0.766 30 20 HCED CCn1cc([C@H]2C[S@](=O)CCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)cn1 488623194 CTAZSEACOIYQHF-LDLUVENISA-N 411.487 0.996 30 20 HCED CC1(C)COCCN1CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 491471957 PYHLAIHYBHDYIZ-UHFFFAOYSA-N 411.466 0.364 30 20 HCED CCOC(=O)c1cnn(CC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1C#N 499523584 YPUISHHIWHPOFY-UHFFFAOYSA-N 410.477 0.968 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 506225612 JHZUJLYLKUNNCW-FQEVSTJZSA-N 403.435 0.930 30 20 HCED N#C[C@@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@@]12C(=O)Nc1ccccc12 513594220 RNSFTXJTMBSWAW-HUYGQZFBSA-N 416.437 0.989 30 20 HCED CNC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 514663295 SWVWPWULQKXIGH-GOSISDBHSA-N 402.474 0.492 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)(F)F)cc1 533828473 FPPZCJZUKFRABY-GFCCVEGCSA-N 423.413 0.861 30 20 HCED C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)OCC 534401478 IXRUCXPMVAUJNT-ZACQAIPSSA-N 403.545 0.856 30 20 HCED COC(=O)CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C)C1 539379542 FZTQPQIZMVRKRD-OAHLLOKOSA-N 407.492 0.569 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 539688145 PSNRPWJMMPHXPR-UHFFFAOYSA-N 406.398 0.844 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)C1=O 552661115 MGUQHQURHHOPSM-CRAIPNDOSA-N 400.479 0.635 30 20 HCED Cc1noc(C)c1CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 553950959 OZLCNVHFSRAODI-SFHVURJKSA-N 409.446 0.739 30 20 HCED Cc1c([C@@H]2[C@@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cnn1C 561432374 KPLHBEBWAIJXHH-JXFKEZNVSA-N 407.478 0.863 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 561552318 LTRMISUWMHFCPO-UHFFFAOYSA-N 412.415 0.348 30 20 HCED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 564082576 WCHDVGMFBFKFBV-QFBILLFUSA-N 402.495 0.759 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 568113304 BIEPKTBNOPVKLG-UHFFFAOYSA-N 413.478 0.689 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC2CCN(CC#N)CC2)cc1 572812948 FHDNJYONXKNSGI-UHFFFAOYSA-N 421.523 0.665 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)n2)c(F)c1 576055816 HJWACKYNNVVFKK-GDBMZVCRSA-N 410.409 1.091 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)c(F)c1 583571253 KEFCTXIVGMSBOT-UHFFFAOYSA-N 417.485 0.575 30 20 HCED C[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 589138723 GKQHDWYMOFTIRW-PXNSSMCTSA-N 413.522 0.428 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)n1 589391177 FDFKDNFRCWYAGL-CQSZACIVSA-N 406.402 0.634 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 609992276 ORROBZPPRYXXMV-CYBMUJFWSA-N 424.435 0.521 30 20 HCED Cn1cc(N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cn1 610554304 QTFPIGXJOUWBNZ-UHFFFAOYSA-N 408.466 0.714 30 20 HCED CN(CCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)S(C)(=O)=O 611595219 QUBLTFVKHLZSBG-UHFFFAOYSA-N 422.442 0.219 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOCCOC)C1=O 726399302 CKPUESKWSRJMIE-AWEZNQCLSA-N 408.480 0.516 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(C)Cc2cccc(OC)c2OC)CC1 728573142 LDJVOZYHJPINLA-UHFFFAOYSA-N 402.495 0.029 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(C)CCC#N 728923033 IZUXOOSSMIQRMT-CQSZACIVSA-N 409.464 0.625 30 20 HCED N#Cc1cnn(CCOC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)c1N 731773794 WXPGVELXAPYWNY-UHFFFAOYSA-N 409.493 0.969 30 20 HCED Cc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1F 732909619 DROJJMZPVFYZIV-UKRRQHHQSA-N 421.450 0.453 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 735845208 JTNXMHLMXYLIOS-FMQUCBEESA-N 405.499 0.306 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O 740830369 XNYOMQZDINCGJL-QWHCGFSZSA-N 408.455 0.725 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 743992366 IBBBENUESZUTFF-WBMJQRKESA-N 413.409 0.820 30 20 HCED CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 747018968 SLXHJCXGYJCMBH-XQEBGNCTSA-N 424.523 0.961 30 20 HCED COC(=O)c1nc(Cl)ccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 751067207 NXLYUCVVOUOPEH-UHFFFAOYSA-N 416.887 0.758 30 20 HCED C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 759196402 MEYKBKCLATWTRY-UHFFFAOYSA-N 423.447 0.774 30 20 HCED COC(=O)Cn1cc([C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nn1 759455197 AFGQTFSBTJGKOX-GFCCVEGCSA-N 421.435 0.561 30 20 HCED COC(=O)c1cn([C@@H]2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)nn1 760535327 UQHUEJDHQLQJFB-MRXNPFEDSA-N 423.433 0.605 30 20 HCED CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 767634635 FIOLWCJWMIQGOY-RHSMWYFYSA-N 423.491 0.652 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677510 SHEFYUJCNMIUGY-KGLIPLIRSA-N 406.464 0.776 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)cn1 767890467 HKKJVLPMAZSRJC-UHFFFAOYSA-N 413.503 0.264 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cnn(C=C)c2)c1=O 772279919 XKYJYGZBQFPAIB-UHFFFAOYSA-N 424.530 0.060 30 20 HCED N#CCOc1cccc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 779583117 HMLKMWLPLJKPND-GOSISDBHSA-N 407.492 0.784 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(C(F)(F)F)cc1OC)[C@@H]1CCS(=O)(=O)C1 792279231 YZJVXYGUEYZVNU-SNVBAGLBSA-N 419.381 0.696 30 20 HCED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)O1 801086373 VSQNKDJEMDZWAW-ATGSNQNLSA-N 421.475 0.435 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)Nc2cnn(CC(=O)NCCOC)c2)c(F)c1 802561616 ZTWOPHSYUSPJMH-UHFFFAOYSA-N 405.361 0.482 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 807544101 WAXATZQEQLRXEG-OAHLLOKOSA-N 419.503 0.958 30 20 HCED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 810780211 TZZSUCNCEPCGLR-UHFFFAOYSA-N 403.482 0.161 30 20 HCED COC(=O)N1CCC([C@@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 811193485 GDYKORNDIHPQRQ-CYBMUJFWSA-N 408.480 0.820 30 20 HCED C=CCNC(=S)NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 916113908 JHMBYVMDZKRRMC-UHFFFAOYSA-N 415.566 0.559 30 20 HCED Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 916896725 AWRIQRQYBPJONJ-VNQPRFMTSA-N 403.460 0.678 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1003124840 NOCWUZQGKKFNLF-SUJAAXHWSA-N 404.467 0.158 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 1116458156 XTHDYJHBZOVZTJ-UHFFFAOYSA-N 421.519 0.159 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]([C@@H]3CCCO3)C3(CO)CCC3)CC2)o1 1195577180 MOGJNXVMPUSILS-PKOBYXMFSA-N 417.510 0.803 30 20 HCED C=CCn1c(Cc2noc(-c3cccc(C(=O)NC)n3)n2)nnc1N1CCOCC1 1254835947 PYOXKTLCNZWEGT-UHFFFAOYSA-N 410.438 0.696 30 20 HCED Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1290191785 LJRRJTJOJRPIHX-GOEBONIOSA-N 404.496 0.974 30 20 HCED C[C@@H]1COCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1291308404 MTYQHVQTEGFTET-WBVHZDCISA-N 422.555 0.641 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)nc1 1295211956 OYMXKAMEXSEKRO-QQFBHYJXSA-N 407.496 0.675 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(OC)CCOC2)CCOC1 1296663625 JJTFZUMWZZHRSI-KFKAGJAMSA-N 407.471 0.464 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1319284939 ZVVAGZJZERZUKO-ZFWWWQNUSA-N 404.492 0.742 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2c(C)nn(CC(=O)OC)c2C)cc1 1319470670 WBWVQROAXQUCIV-UHFFFAOYSA-N 418.475 0.514 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1322223411 WGAUGKWDOQPSSI-FMQUCBEESA-N 412.446 0.692 30 20 HCED CCN(CC)S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1323309185 OFQRHISQVZAEST-NSHDSACASA-N 402.498 0.207 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1 1344578493 FOZKRQRKZFPMMC-AWEZNQCLSA-N 413.521 0.905 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](OC(=O)N(C)C)C1 1449856653 SAGRWADFGLBXIJ-DZGCQCFKSA-N 408.480 0.914 30 20 HCED Cn1nncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1554368480 RVVHQTWEVQUOEZ-AWEZNQCLSA-N 404.500 0.487 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556458094 ZRTKAGQIXWQUJB-ZOCIIQOWSA-N 412.490 0.831 30 20 HCED COC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1 1569568912 SWISCEDZIABNAM-GOSISDBHSA-N 417.443 0.876 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 1596982865 PCXXWTIWUHFNNL-JTQLQIEISA-N 402.270 0.850 30 20 HCED CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1614223389 SFJLBUBBMUFOTK-MRXNPFEDSA-N 404.496 0.981 30 20 HCED CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1617581631 IYSCOIANPMZRMG-KRWDZBQOSA-N 422.493 0.899 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1622672100 ZPSPWJJMMJMTIV-CQSZACIVSA-N 401.533 0.560 30 20 HCED COCCN(Cc1c(C)nn(C)c1C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1648840384 RVQXJEJEJUIHKS-UHFFFAOYSA-N 419.507 0.862 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1697011271 LDEVQXMNIOFTGC-QGZVFWFLSA-N 413.482 0.940 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1706603378 RBAIXVVQGHQQEC-KRWDZBQOSA-N 405.438 0.032 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)CCO1 1712884839 UEHLULGLOOEPHQ-HZPDHXFCSA-N 404.471 0.497 30 20 HCED C=C(Br)Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OCC)CCOC1 1722490303 ZTJGWWLTSCOVOL-HNNXBMFYSA-N 400.277 0.775 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCC2)CCO1 1770747590 JBJWBZNKIOHYBR-HZPDHXFCSA-N 408.528 0.395 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1778974350 YLOXPWNOEUQWIS-RJQFULPZSA-N 405.495 0.224 30 20 HCED N=C(N)SCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064835 PCLZPIWRVYMSNR-IBGZPJMESA-N 408.524 0.142 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ncccc3C(F)(F)F)C2)C1 1779716563 APPMCYHJCSTPGC-KRWDZBQOSA-N 411.336 0.632 30 20 HCED CC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783141804 CVZFZNZYCKAEJV-VZSQWMKGSA-N 405.476 0.453 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1783162506 LUIRQMQCKMNFIF-IERDGZPVSA-N 412.446 0.146 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccc3F)C[C@@H]21 1783531095 CECHBQNUTQDRAW-GLUQJIRCSA-N 416.453 0.672 30 20 HCED CC#C[C@H](CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1784019672 OYJNLAGGCSHLQP-JPYJTQIMSA-N 424.453 0.807 30 20 HCED Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)n1 1786083363 WHVJCJROKAYDBU-YCADLKADSA-N 419.482 0.542 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4=NNC(=O)C4)[C@H]3C2)c1 1788556415 COEUNWFARFSFHY-UHEFJODHSA-N 423.473 0.783 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nsnc3NC)C[C@@H]21 1788570736 NNRRLGOXLMQSFK-XDQVBPFNSA-N 423.539 0.746 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1F 1791079511 PKQDBMMVEVGIQB-MPGHIAIKSA-N 418.421 0.445 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3cncn3)[C@H]2C1 1791518884 LFTPICZVNGTJKA-BZSNNMDCSA-N 405.499 0.631 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN3C(C)C)[C@H]2C1 1791805850 XUNGXAHYHVHPNI-DEPCRRQNSA-N 405.539 0.877 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(C)=O)C(C)(C)C 1793191642 VBAIYUOZUNJMIK-XEIOYGOASA-N 409.527 0.718 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1793381002 NIQWKNYHDIBWSP-PTNZTPPNSA-N 412.581 0.557 30 20 HCED CC(C)[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1793605574 NVFJBMKCQNUJSH-IVSAIRAKSA-N 417.597 0.309 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N2CCOCC2)cn1 1794441082 JDBFGFFPQBCRNP-AFIMGQEJSA-N 420.535 0.440 30 20 HCED CC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#Cc2ccccc2)n[nH]1 1795274795 UKRAFBHZKONLFE-UPHUGPLXSA-N 406.442 0.867 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1F 1795988452 QWJRGMCHYHBDMP-XOIINTDNSA-N 403.458 0.706 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796286088 QZQWHRISDZQEQI-HGTKMLMNSA-N 415.450 0.229 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ncccn3n2)c1 1796958594 HYGBBBDIIDTFIQ-BJWYYQGGSA-N 417.429 0.513 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nccn2c1 1797076897 IUDOYYXCHBTBGA-OSQPQIOTSA-N 423.473 0.396 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2cccnc2n1 1797390248 SCFGNDWORYLTKU-MPTYRVRUSA-N 414.466 0.733 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1797649992 CODCHRARWGTADI-RZFLPCETSA-N 410.536 0.922 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCc1[nH]cnc1C 1797662480 CYDTXHIOLUYSFH-OAFZBRQQSA-N 420.535 0.579 30 20 HCED COC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)CC1 1797743982 KYLBDNLOOYDNKB-WTORNZADSA-N 406.483 0.001 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cncn1)C(F)(F)F 1797903364 IHBQUDJRKRNFJI-RUZUBIRVSA-N 401.389 0.622 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(Br)c1 1798021207 UOWGMYOLEAIGRT-DRXBFXEBSA-N 422.235 0.135 30 20 HCED CNC(=S)NCCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798465779 KGXUNPIZRBPDIH-BJWYYQGGSA-N 420.579 0.807 30 20 HCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799623149 RVRKJFGXPDVLHY-RMHZUWNSSA-N 405.520 0.943 30 20 HCED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883393 DMVNGZMVSSZPOC-FVCICTRLSA-N 420.433 0.080 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@@H]2C=CS[C@@H]12 1800253311 UEJRAISDQBCHDJ-YCJBILRDSA-N 406.504 0.961 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@H]1c1cccnc1 1803548926 PYTATYHGGKUNBX-BSNXPFOBSA-N 424.501 0.961 30 20 HCED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1814107546 LPYKQBSLLWURDM-YSIASYRMSA-N 400.479 0.151 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](C)NC(C)=O)[nH]n1 1814439684 WXQKOSZPIKHDER-SMWWRSMJSA-N 416.482 0.785 30 20 HCED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)CN4CCNC4=N)sc3C2)CCC1 1814929105 MJHCODQLCBHDTB-NSHDSACASA-N 401.496 0.589 30 20 HCED O=C([C@@H](O)N1CCOCC1)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824411350 MJGZNZAUWSOXSU-SIKLNZKXSA-N 403.523 0.670 30 20 HCED Cn1cc(CCC(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn1 1825664925 SCHDFBFVCUAVPH-GFCCVEGCSA-N 401.448 0.509 30 20 HCED C[C@H](S)C(=O)N[C@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826077059 HSRGEEJCOUAZDS-OMQMVUIESA-N 401.510 0.989 30 20 HCED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C[C@H]2NC(=O)NC2=O)CC3)CCC1 1828007964 JOTYQFNNIOCHAK-GXSJLCMTSA-N 416.463 0.347 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(C)=O)CCO2)C(F)(F)F 1829861513 MAMSWAYGVSTFIB-WMLDXEAASA-N 421.416 0.476 30 20 HCED COc1ccc([C@@H](O)C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1830212642 CSUVEVALOSMWAO-TZIWHRDSSA-N 417.462 0.489 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccc(O)cc4)CCO3)C2)CC1 1830343003 WSPCSUNZOOLBAL-OAQYLSRUSA-N 415.446 0.531 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1ccnc1 1830975110 RZTGIRUMQRHKAP-XXBNENTESA-N 422.485 0.952 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832122002 CZIYLUKOZCVHEI-LLGFUMIMSA-N 408.470 0.499 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1832446794 GJPPQSVHGAONPM-GOSISDBHSA-N 408.480 0.171 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833171244 ZGLSLDUVUHJCLI-NRFANRHFSA-N 400.479 0.669 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833520520 ACZBHRWUXPRYRS-CRAIPNDOSA-N 422.570 0.643 30 20 HCED C[C@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833522530 SMRBCHVNIJXYLI-CQSZACIVSA-N 414.510 0.583 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834161958 RMUJWJGGTARMSX-LAUBAEHRSA-N 420.510 0.372 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)no3)CCO2)C1 1834226077 VLBQGIOTAGOCKQ-KXBFYZLASA-N 408.455 0.854 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cc(O)ccc4n3)C2)C1 1834760393 LRRANRJYZJQXLE-OAQYLSRUSA-N 410.430 0.924 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cnc(O)nc4O)CC3)CC2)CC1 1835068957 GQTIQEYMSGMIKE-UHFFFAOYSA-N 414.466 0.377 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)CC1 1835345156 GJNDWRORCXQGPH-NRFANRHFSA-N 424.461 0.032 30 20 HCED CO/C=C(\C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677348 GKOUCMVOGNIQAY-GRFAERAESA-N 408.499 0.275 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836171771 PKAZTUHABATNKY-JOCHJYFZSA-N 423.473 0.833 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836209631 WJMPLEVEUPSXFY-XLIONFOSSA-N 403.483 0.503 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836301361 BSNNDGAGAJETHN-OXJNMPFZSA-N 403.483 0.952 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837357607 IOYZMMQHBFTCPL-HXUWFJFHSA-N 404.467 0.087 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1837395001 NJRBGZJFVXBHLV-LAUBAEHRSA-N 420.510 0.372 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838039106 HSADRIPMUUXNAR-BZNIZROVSA-N 404.439 0.667 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838645523 ISBKSBCIXSAQFV-MGPUTAFESA-N 405.451 0.448 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1839228678 LRJQXKYEZOWOJB-FOSSJUOHSA-N 411.455 0.275 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839519626 YGFAOTZBFFLUKI-HXUWFJFHSA-N 402.451 0.149 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1839531007 WHEREPHONBCVSW-HXUWFJFHSA-N 420.535 0.819 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839646929 GSGCJWCWGQGCCZ-PASBJYMKSA-N 423.510 0.056 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C2)C1 1839809093 QHUPJJVDXPHXTD-HXUWFJFHSA-N 416.434 0.364 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@@H](C)CC)C2)C1)C(F)(F)F 1839892386 LAXQUAMBIMTUAC-RVSPLBMKSA-N 407.433 0.935 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1)C(F)(F)F 1839894717 MZGLCPXFCUXXKA-CJNGLKHVSA-N 417.388 0.414 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840429455 TVTNHCSTILVWHL-FXAWDEMLSA-N 422.551 0.895 30 20 HCED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(=O)O 1840837715 BWIWTRMCTNMLDD-IDQXVJNZSA-N 419.434 0.186 30 20 HCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1840955856 OJAWWQCZIKUNGG-IBGZPJMESA-N 422.482 0.414 30 20 HCED C=C1CC(C(=O)N2CCCC23CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C3)C1 1841020576 KYZIXFNQEIKTDN-HNNXBMFYSA-N 420.510 0.925 30 20 HCED COCCn1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1843514899 MOGSEFLVMPJDLK-KOMLCTQHSA-N 419.482 0.876 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1844200162 BCRHDCMJTJAGOF-QGZVFWFLSA-N 409.552 0.689 30 20 HCED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1845436305 AFIPYDASURZPCX-QWHCGFSZSA-N 401.529 0.987 30 20 HCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)CN)C2)C(C)(C)S 1846301552 WJPMGHMPIQNFRX-CYBMUJFWSA-N 400.545 0.750 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846400625 BCGOMRBFNOUMIS-UHFFFAOYSA-N 424.379 0.819 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCOC)CC2)cc1 23889211 FGCJBMVWGVRDAY-UHFFFAOYSA-N 409.508 0.766 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 24600362 PWLUGYXRIUKPFX-OAHLLOKOSA-N 420.535 0.882 30 20 HCED CCCCN(C(=O)Cn1cc(C(=O)OC)cc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 28190409 HFDLVFSPVNSFCM-HNNXBMFYSA-N 409.464 0.322 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN(CC)S(C)(=O)=O)cc1 52738935 JXUGOVKHRDFABO-UHFFFAOYSA-N 410.496 0.329 30 20 HCED CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)N1CCO[C@H](C#N)C1 409552322 KHRLNKDINRSZBE-MRXNPFEDSA-N 416.525 0.073 30 20 HCED Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)CNC(=O)c1ccc(C#N)cc1 436244865 SAZOCGRVKRBJCI-UHFFFAOYSA-N 409.402 0.809 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)c(OC)c1 439443311 ACEADZFOFYMFPH-JKSUJKDBSA-N 413.492 0.435 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)C1=O 440258818 RRHRZAYAWWIDOE-OAHLLOKOSA-N 409.450 0.724 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 441715404 IANDAIGTTZWGRG-IRXDYDNUSA-N 416.526 1.332 30 20 HCED N#CCCCn1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c2ccccc21 444139074 LMWBMIHPHDJUSN-UHFFFAOYSA-N 406.450 0.916 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 446794080 RWDGNPYAXMVLCI-RDJZCZTQSA-N 412.508 0.637 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 461307220 MBPKZBAZBJZQCV-AWEZNQCLSA-N 422.536 1.447 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC#Cc1ccc(OC(F)(F)F)cc1)C2 467281495 KSKHASVAPCIQJY-UHFFFAOYSA-N 423.395 0.899 30 20 HCED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 467317877 IHJAYOKVDSFRIB-UHFFFAOYSA-N 418.475 0.777 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)cc1 467716583 TWMBNMXRSOTUIX-CQSZACIVSA-N 405.480 0.634 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)OC)[C@H]2C)cc1 470930140 KCJRLUNKCQKVAB-CZUORRHYSA-N 423.491 0.842 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)CC2)o1 471217302 YOXJTUATZNJXNW-IAGOWNOFSA-N 423.539 0.791 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 471314919 BZNZFZSUWLMFMW-IRXDYDNUSA-N 410.492 0.176 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)c1C#N 472883454 STXRQGSCCNBAGQ-UHFFFAOYSA-N 419.449 0.468 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccc1F 479101412 GCPRXLGHTHGRBK-CQSZACIVSA-N 412.443 0.241 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 480931355 SVNPGGNGKYVGDW-UHFFFAOYSA-N 410.430 0.867 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 481515117 ARVGDHNRHAIHDY-LBPRGKRZSA-N 404.452 0.148 30 20 HCED C=CCOC[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(=O)OC 481777497 JVDRJLKBCNVJLA-JTQLQIEISA-N 403.229 0.975 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](CN2CCOCC2)C1 482381085 PYYRQMWTRNTKIL-RDJZCZTQSA-N 406.508 0.406 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)cc1 483913034 KJOOQTVZMUIPGE-UHFFFAOYSA-N 422.397 0.582 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc(OCC)n2)c1=O 489018428 UDBNRALEUFZIGB-AWEZNQCLSA-N 411.483 0.998 30 20 HCED C=CCNC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)nc1 492908327 BCOQPOQIUAOXQB-IYBDPMFKSA-N 423.539 0.473 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 496131853 YEDAZKJBQLDLMO-YJBOKZPZSA-N 420.535 0.984 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 502297709 CNRYCTIFBKNNAZ-UHFFFAOYSA-N 424.907 0.876 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 502314118 YBHQUNGIEGFKEF-UHFFFAOYSA-N 406.917 0.737 30 20 HCED CN(CC(=O)NCCCc1nnc2ccccn12)S(=O)(=O)c1ccc(C#N)cc1 503723377 GOXVWBUZJBXRCK-UHFFFAOYSA-N 412.475 0.970 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508464231 LFTJMYXAFPRWSW-OAHLLOKOSA-N 401.515 0.489 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cn1 512142402 KDESRLOGCAPULK-UHFFFAOYSA-N 403.399 0.534 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2CC)c1=O 512780702 FLCFUGBWRUQIAY-ZDUSSCGKSA-N 403.508 0.190 30 20 HCED C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)NCCOC)CC1 514302039 MUKLDUUXGQSMHZ-UHFFFAOYSA-N 402.499 0.727 30 20 HCED N#Cc1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 519153723 QMGVQAHJDXBNGI-UHFFFAOYSA-N 410.433 0.723 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)NC[C@H]3C2)CC1 539454927 KNYIRUIGSWQZHP-ZWKOTPCHSA-N 400.458 0.244 30 20 HCED NS(=O)(=O)CCN1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 540254310 ZDWSAIBDRYUXTN-UHFFFAOYSA-N 413.503 0.919 30 20 HCED Cn1c(=O)c2c(ncn2CCNc2ccn(-c3ccc(C#N)cc3F)n2)n(C)c1=O 542005653 CNGHPNBQBJKALP-UHFFFAOYSA-N 408.397 0.742 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCCCOCC)CC2)CC1 557768010 RYZIKFXXFICZFO-UHFFFAOYSA-N 422.570 0.925 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 561362883 DRFMYXDZCAJWDZ-OAHLLOKOSA-N 410.471 0.905 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1 569777316 DCYGIAIDHGJYPN-OAHLLOKOSA-N 408.524 0.890 30 20 HCED C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NCC(=O)NCC#N)cc2)C1 571546094 XBCFIXGFIIRTMX-AWEZNQCLSA-N 407.496 0.546 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)C1=O 579263589 ACMKQXLZZNWBOX-QZTJIDSGSA-N 402.495 0.659 30 20 HCED CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 582379931 IPZXDVYECKYPGU-GOSISDBHSA-N 420.473 0.595 30 20 HCED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 582576867 DOGLJYNXLXZDER-VQIMIIECSA-N 419.551 0.321 30 20 HCED COC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 585724986 HUUXHOZAVAUXFU-UHFFFAOYSA-N 406.508 0.502 30 20 HCED CN(C)CCN(C)CCCN(C)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 589032252 BEGIVVMBWLYYGV-UHFFFAOYSA-N 412.498 0.419 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)cc2)c1=O 603796928 QUPGNHUHJCBGDN-UHFFFAOYSA-N 415.515 0.984 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606030572 AEHSURMXJHIMDD-UHFFFAOYSA-N 419.485 0.700 30 20 HCED COC(=O)[C@H](COC(C)C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 610836197 OXOUSXRJNDVXAU-HNNXBMFYSA-N 411.480 0.836 30 20 HCED COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615628664 CAUVLYKXRAFGAF-GOSISDBHSA-N 409.370 0.902 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 673785506 RXFFQXWBQAGKGE-GOSISDBHSA-N 400.479 0.864 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C(C)C)N3CCCC3=O)CC2)o1 726038089 TVGIKFIITNCGPU-SFHVURJKSA-N 417.466 0.694 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(CNC(C)=O)s2)C1=O 726043292 URVVIZVJOSWZJC-JTQLQIEISA-N 421.431 0.475 30 20 HCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)C)C1=O 726404088 RMKNPJDADNGWBY-LVHCJKAXSA-N 412.537 0.926 30 20 HCED CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 727010298 UJOHXIQMZXACDB-SJLPKXTDSA-N 414.462 0.580 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 728530404 CQSTWBPGDROVEP-RXVVDRJESA-N 424.545 0.880 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCCC2)CCOCC1 729441179 ONQQFBYUMNAZPA-UHFFFAOYSA-N 420.535 0.876 30 20 HCED N#C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCO1 729979303 DXOLPFULBZPNIB-KGLIPLIRSA-N 405.432 0.375 30 20 HCED CS(=O)(=O)NCCOC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 730600784 HRENEEFCNMDJNQ-UHFFFAOYSA-N 417.509 0.378 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 743901063 YFLOCEZYYXMSAW-UHFFFAOYSA-N 412.446 0.878 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 743946928 OQHOLHATBCZADP-UHFFFAOYSA-N 419.913 0.981 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)cc1 746936229 BOADSHWDWOYTFZ-QGZVFWFLSA-N 421.475 0.815 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)cc1C 748696235 RWDGKSQTGLHYOF-MRXNPFEDSA-N 412.450 0.577 30 20 HCED N#Cc1ccc(CC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 750248091 UWYDKPODBRBUSZ-UHFFFAOYSA-N 401.444 0.650 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c([N+](=O)[O-])c1 753827068 BELOEYBMMXVQNN-CQSZACIVSA-N 415.406 0.827 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)[C@H](C#N)C1 758565716 UYWLBDRIKNTUND-CHWSQXEVSA-N 400.501 0.869 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 761792223 RUBUPTSRWMZJNB-LMSBXDPUSA-N 420.425 0.805 30 20 HCED CCOCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 767373871 KYSGZIBQDDIMPJ-CSLYMUCUSA-N 417.528 0.805 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)C(C)C)c2)CC1 771320292 BFLSJXPDVCKMGV-UHFFFAOYSA-N 405.520 0.766 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(Cl)nc2ccccn12 771896793 IOKGSAMPZLHTQP-UHFFFAOYSA-N 410.843 0.088 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 774014448 XEGABPAURJYMEH-HOCLYGCPSA-N 408.426 0.649 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnc3sc(C)c(C)n3c2=O)CC1 775717458 XQJXVVFGWJUVQV-UHFFFAOYSA-N 401.492 0.270 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCN2CCNC(=O)C2)C1=O 781104522 WPRUTHLEBZRTBS-OAHLLOKOSA-N 419.507 0.195 30 20 HCED COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1OC 781603283 UOVJBENTKNVNJF-UHFFFAOYSA-N 421.406 0.949 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 786365329 NBMLHHRNXAPSFY-ZQQZQOJVSA-N 417.462 0.813 30 20 HCED COCCOc1ccc(F)cc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 786849383 UYNCPVNNCPZNKY-MSUUIHNZSA-N 413.427 0.656 30 20 HCED COC(=O)C(C)(C)[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787756687 QKPQCPVQLROGKQ-HNNXBMFYSA-N 401.467 0.919 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)n1 789325835 KJHCICNPXOKLBE-UHFFFAOYSA-N 402.543 0.397 30 20 HCED N#CC(C#N)=c1sc(=Cc2c(F)cccc2OC(F)(F)F)c(=O)n1CC(N)=O 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C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1831396480 MSCMTDPULSRDPC-FOIQADDNSA-N 421.881 0.843 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1831419572 NHYUHFJKUXVJRE-XOKHGSTOSA-N 424.416 0.347 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1831499893 YNSGIZYQHUCWBR-AEFFLSMTSA-N 411.528 0.079 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831726961 GDLVJOOVGPBNFZ-FQEVSTJZSA-N 420.466 0.235 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831854563 YLNLOZGQFAPELW-UZLBHIALSA-N 406.483 0.361 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832209273 TXLLCMMGPYBHJG-AUUYWEPGSA-N 419.507 0.206 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832964022 SUPGDWPQUBPCHH-YWZLYKJASA-N 421.519 0.489 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833808217 INAHIEKFBWQFIH-QRWLVFNGSA-N 404.467 0.446 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(CC)n1)CCO2 1834402635 IVPSUEYTSOQTRT-LJQANCHMSA-N 408.524 0.892 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834583272 IEWSNQYEKKSWDN-VQIMIIECSA-N 409.508 0.812 30 20 HCED CC(C)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098256 FDOHRLWBXWVGEE-QHCPKHFHSA-N 413.518 0.883 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835357145 ICGJEDXRMGGLLQ-NRFANRHFSA-N 424.461 0.641 30 20 HCED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835530579 KBJADTIFQOVBFF-XOBRGWDASA-N 420.897 0.876 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1835672740 KJPAWZZNCYSOBL-LJQANCHMSA-N 421.523 0.495 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)[nH]n3)CCO2)C1 1836279594 HPRAYHVHLRCRHT-LAUBAEHRSA-N 420.510 0.615 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1836861469 XDYBSOMRLAVGHX-INIZCTEOSA-N 403.483 0.315 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1837312320 ZZXAUSUQGRNNSF-SVMVAKDDSA-N 419.522 0.737 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837397997 YUGJDFDJMHLZBI-AUUYWEPGSA-N 424.523 0.368 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1837398922 KXJBUECKLTVVKK-HRAATJIYSA-N 421.494 0.880 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837400979 RWWWMJLDYDDTRF-AVRDEDQJSA-N 417.506 0.654 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527581 QARFCRAIADJQJW-YWNAFCPWSA-N 408.455 0.276 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1839174398 ZGKNHYIBSVSPCA-FQEVSTJZSA-N 406.435 0.859 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216272 KBKXEQVWPFDJDU-LAUBAEHRSA-N 405.495 0.257 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839223079 LDDCJPCHILNRBP-IFXJQAMLSA-N 423.470 0.178 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1839838384 HADSUZBEUZTTIN-JQFCIGGWSA-N 408.417 0.968 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840842166 RGNLSWMZMQJBNG-REWPJTCUSA-N 411.502 0.571 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@@H](C(=O)OC)C2)C1 1841340066 QTQZOFSRGMOBAE-YVDRWBGASA-N 403.479 0.638 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842056781 MPIHJAWSSPMJPA-UONOGXRCSA-N 416.478 0.787 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c1 1843009108 IURKJOPTPVUVED-UHFFFAOYSA-N 403.402 0.420 30 20 HCED C=CCN(C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 108938578 RQXCCTWYZYYQRO-ZBFHGGJFSA-N 408.455 0.447 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1C 410098514 YKWMFTQEFGNXAM-UHFFFAOYSA-N 401.513 0.983 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)C1=O 410113073 MYZCHLVXYGRWNO-CVEARBPZSA-N 423.539 0.673 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(c2ncnc3ccsc23)CC1 410130140 JUOIZKGPVWMKMW-UHFFFAOYSA-N 410.525 0.920 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N(CCO)Cc2cc(Br)ccc2F)CCO1 410142593 YYHBYODLQURECF-CYBMUJFWSA-N 422.276 0.852 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1C#N 435835166 LLZRFGHXGPMRMZ-UHFFFAOYSA-N 424.461 0.726 30 20 HCED C[C@@H](CO)N1CCCN(c2nc(N3CCCN([C@H](C)CO)CC3)ccc2C#N)CC1 436349959 FFLWISCBPFOGDQ-MOPGFXCFSA-N 416.570 0.739 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C(=O)N1CCCCC1 436584450 PVZGJSIPLVERBT-AWEZNQCLSA-N 409.450 0.903 30 20 HCED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 439320183 IPOJUBCCTNQCFW-HNNXBMFYSA-N 401.467 0.448 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1=O 440261615 UKAHRCMFAGNDDJ-MRXNPFEDSA-N 407.492 0.458 30 20 HCED CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)no1 442459255 SKPPLCKEMQSVMM-ZDUSSCGKSA-N 415.454 1.555 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)C[C@@H](C)O1 442853155 ITHZHLLYFBAJRW-OKILXGFUSA-N 408.480 0.376 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 465390309 ZJJNLQHGPUVXMT-SCLBCKFNSA-N 406.464 0.259 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465417896 RFBBCYJGZFQQGZ-ZDUSSCGKSA-N 407.434 0.384 30 20 HCED CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465419200 WGCCPMRWLPZAQX-ZDUSSCGKSA-N 407.434 0.982 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccc(OC)c(Cl)c2)C1=O 472238223 JYXFHTLHLMAJTL-AWEZNQCLSA-N 423.809 0.656 30 20 HCED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 473438704 DLQHTVNDJMJTRW-UHFFFAOYSA-N 423.420 0.721 30 20 HCED COC[C@@](C)(C#N)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 474145232 PMWKOTSRVPJVHO-GOSISDBHSA-N 411.480 0.303 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)cn2)C[C@@H](C)O1 475182749 LKSFEQVFFGPQHV-HUUCEWRRSA-N 424.461 0.645 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2csc(N3CCCC3)n2)C1=O 476461334 OBEBYQCQCPOCJL-OAHLLOKOSA-N 405.524 0.647 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(CC)n2)cc1 476585740 ZLHOTTGRMBUHDT-LBPRGKRZSA-N 420.495 0.990 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 479742740 IKGGMQWSSCZVSX-UHFFFAOYSA-N 406.512 0.938 30 20 HCED COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 481752023 UBAUQWLEMUSCGE-DYVFJYSZSA-N 423.491 0.557 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@]2(CCCOC2)O1 485277979 YEFCUJWGPLIDAY-VFNWGFHPSA-N 424.461 0.933 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 508506999 RRFSNVFYOVQGBF-HZPDHXFCSA-N 424.571 0.403 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 508810530 PPQDNNLYDYWINK-KRWDZBQOSA-N 409.454 0.448 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)cc1 508821962 KZMUNFRUVULWRR-UHFFFAOYSA-N 418.435 0.586 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 509262117 FAZDUHUSJZDBME-SNVBAGLBSA-N 412.896 0.826 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccnn2CC)c1=O 512775927 FQLRPPSZAAKTPY-UHFFFAOYSA-N 417.535 0.582 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1F 518698638 JNEPHXARZGMFAC-UHFFFAOYSA-N 404.423 0.872 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)OC)C2)cc1 520277992 QOKQVHVSVAISDC-ZDUSSCGKSA-N 409.464 0.453 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 524951122 YPMAUXPUEVOSDH-RDJZCZTQSA-N 414.462 0.369 30 20 HCED CC1CC(C#N)(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 532066968 UCNNQUFAXDZMSR-UHFFFAOYSA-N 418.475 0.790 30 20 HCED COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 537070226 UXJKJOOXHAQIFX-HNNXBMFYSA-N 405.411 0.235 30 20 HCED CC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 550121102 USUKNPZPDVRDOK-GOSISDBHSA-N 411.462 0.297 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)nc1 550949348 HSBZDRSRKKVZRL-UHFFFAOYSA-N 413.868 0.701 30 20 HCED CC(=O)N(c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1)C1CC1 559517156 JUFWCENFZBMHNL-UHFFFAOYSA-N 409.450 1.066 30 20 HCED COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(c2cnccc2C#N)CC1 562362272 DIDXTDCAIOQWLH-UHFFFAOYSA-N 422.489 0.992 30 20 HCED COc1ccc(OC)c(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 568786508 FCVRSLLNNHTFBT-UHFFFAOYSA-N 423.473 0.978 30 20 HCED CC(C)[C@H](NC(=O)CN(CC#N)S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 573142922 RNBLGANUXKXERF-SFHVURJKSA-N 410.496 0.903 30 20 HCED COc1cc(NC(=O)C(=O)NCC2(C#N)CC2)ccc1S(=O)(=O)N1CCCC1 580273423 RDQOPODHKFJRAM-UHFFFAOYSA-N 406.464 0.838 30 20 HCED CCc1nc(CN(C(C)=O)[C@H]2CCN(S(=O)(=O)c3cncc(C#N)c3)C2)no1 580380412 IIALFEAGUHXGGB-AWEZNQCLSA-N 404.452 0.710 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 588925560 XHFGEGUAGRBSES-UHFFFAOYSA-N 423.477 0.850 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 589414786 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424.438 0.433 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968578 SONXEMJEVYDQQH-DJJJIMSYSA-N 410.438 0.437 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)N[C@H](Cc2ccccc2)C1=O 756882783 GCUMOHKXIBEESS-NVXWUHKLSA-N 405.462 0.979 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 758301486 RARLDNXRHIMPEE-ZFWWWQNUSA-N 423.495 0.892 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 761124822 SGXLPUFXSZGTLZ-CYBMUJFWSA-N 405.430 0.370 30 20 HCED O=C(O)CN(CCc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 769461607 XTIHWRKPJVHTDA-UHFFFAOYSA-N 401.444 0.881 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(N2C(=O)CNC2=O)c1)c1cc[nH]n1 770835135 RZANFBDFNYKCSG-UHFFFAOYSA-N 414.378 0.388 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CCCO1 775806879 OFOJJHRBWCQHJG-ROUUACIJSA-N 409.483 0.429 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@H]1CCCO1 778729695 RAMJWMGFKFREHY-DLBZAZTESA-N 403.410 0.534 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780933261 IXCIMFLZRXRHHZ-PXAZEXFGSA-N 416.459 0.643 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C#N)cn2)cc1 781055780 PNKGEAIQWIMDNI-UHFFFAOYSA-N 401.448 0.849 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 783307237 FNZKPXHSNMCDRU-CQSZACIVSA-N 404.533 0.438 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 783480003 NZGFAGFAOICMJC-AEFFLSMTSA-N 420.487 0.832 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 784502139 VYUFCNDKFZJVHI-ROUUACIJSA-N 417.487 0.945 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC1 787000919 WMFFLXDFYGDFSO-OXJNMPFZSA-N 406.483 0.051 30 20 HCED C#CCC1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 788499237 VQVOOZSMOURMLC-MRXNPFEDSA-N 416.565 0.621 30 20 HCED NC(=O)CNC(=S)NN=Cc1ccc(Cl)c(I)c1O 788715528 JNOJJJUONHNWNE-UHFFFAOYSA-N 412.640 0.934 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc(F)c3)C[C@H]2C)c1=O 793734271 UFEKMYIZFKERPB-MRXNPFEDSA-N 415.469 0.851 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc(OCC)n2)c1=O 794644546 DYVLJOZBHUEDSE-HNNXBMFYSA-N 423.494 0.835 30 20 HCED CN(CCC#N)S(=O)(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796196915 IMUORKSGYCGUSF-HNNXBMFYSA-N 401.533 0.704 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C1=O 798546659 CYLWTIPMTCRVQH-FOIQADDNSA-N 402.426 0.838 30 20 HCED C#CCC[C@H](O)CNC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 799078996 IYHXWGKBVJQIRU-AWEZNQCLSA-N 401.467 0.847 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 800012586 HSCRIYNXHPJJBN-UHFFFAOYSA-N 400.476 0.859 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@@H](C4OCCO4)C3)CC2)nc1 804402361 JGBXVTCLGBUEKG-MRXNPFEDSA-N 413.478 0.650 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 807381555 YQZFVWFLMYHPFU-UHFFFAOYSA-N 407.448 0.466 30 20 HCED C#Cc1ccccc1CC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 811259647 DTGFMBUSYMPVFN-RBUKOAKNSA-N 419.499 0.948 30 20 HCED CC1(C)OCC(CO)(NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CO1 812837346 DUDBLFONJVXCRZ-HNNXBMFYSA-N 408.524 0.561 30 20 HCED CC(C)C(=O)N[C@@H](CO)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 813412555 BAUNLFDVERMSPG-UFPHYQGISA-N 410.496 0.571 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)CC1 813442787 TVRTYROOKMWSKT-IBGZPJMESA-N 411.506 0.967 30 20 HCED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 815015644 KPEYLCOWRUUJBP-UHFFFAOYSA-N 414.325 0.895 30 20 HCED CC(C)NC(=O)[C@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916947188 VZCFUYQZSKDANP-QGZVFWFLSA-N 407.492 0.874 30 20 HCED COCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 917689552 DQCDMHCGXDMDFN-OBGWFSINSA-N 417.509 0.499 30 20 HCED N#CCOc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)cc1 1077432964 GHWVMFJXJPTRNQ-LFAQGZIKSA-N 401.463 0.302 30 20 HCED C[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCN(C)CC1 1318605482 BTFQQNXEKWCUJH-QAPCUYQASA-N 412.494 0.515 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1339006326 TUYRHMZLNGFHJK-CJNGLKHVSA-N 409.439 0.322 30 20 HCED CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1502199785 SNSUCFFILKBNFF-GDBMZVCRSA-N 408.528 0.393 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cn[nH]c2)CCO1 1517533499 BPBXBRNEDBWNMK-KRWDZBQOSA-N 406.450 0.734 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1CC[C@@](O)(CC#N)C1 1668487215 TUDZJFOODJMASL-FQEVSTJZSA-N 401.467 0.965 30 20 HCED COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1730718977 XTNFXIKBIWKBQS-UHFFFAOYSA-N 419.507 0.839 30 20 HCED CO[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1748491962 QUGQKPVBYHOLRZ-AUUYWEPGSA-N 413.438 0.460 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2noc3c2CCCC3)C1 1777867348 KQZYQJLKSZPKMQ-IIBYNOLFSA-N 415.446 0.769 30 20 HCED 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C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCN3C[C@H](C)O[C@H](C)C3)CC2)C1=O 427290266 ZDTUINJFPXGWLB-IYBDPMFKSA-N 420.510 0.701 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 435311814 VODIAQVAHYRGIJ-HZPDHXFCSA-N 406.483 0.926 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(CC(=O)NC2CCCC2)c1 435350855 QIZXONGXRFZPAL-HNNXBMFYSA-N 422.493 0.954 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 437389739 DAYBIAYKPKJSOZ-AWEZNQCLSA-N 408.480 0.654 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)C1=O 440277966 CYNGUKVPYQEGKD-INIZCTEOSA-N 409.446 0.835 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 441590806 QLAKPSQCWRQDRY-QGZVFWFLSA-N 407.430 0.216 30 20 HCED CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460733448 IIDZBFMLQKSYSW-MRXNPFEDSA-N 409.450 0.937 30 20 HCED CN(CC(=O)NCCc1cn2c(n1)SCC2)S(=O)(=O)c1ccc(C#N)cc1 466341935 QFTHVABZWPHUHS-UHFFFAOYSA-N 405.505 0.840 30 20 HCED C[C@H](NC(=O)CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 475760651 OQAUEZPSWOBSCP-HOCLYGCPSA-N 422.507 0.321 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C 480284024 HVEQCTFABJGOLS-UHFFFAOYSA-N 423.441 0.704 30 20 HCED C[C@@]1(C(N)=O)CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CC[C@@](C)(C(N)=O)C3)c2)C1 481045460 XLAIMSVINILBPN-RTBURBONSA-N 400.439 0.870 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 482415760 PSVGOJZRUWWOHV-WBMJQRKESA-N 418.500 0.986 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)C1=O 483967847 YEHKWWBFCDYBLI-BFYDXBDKSA-N 401.419 0.704 30 20 HCED COc1ccccc1N1CC[C@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1=O 505020649 LEDDVONAUXIJLT-AWEZNQCLSA-N 410.434 0.974 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C 505025184 RDCKWLGAUPMFIW-UHFFFAOYSA-N 402.432 0.011 30 20 HCED COCCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 509827818 PZRLLTYSWOYMDV-MRXNPFEDSA-N 413.434 0.080 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CS(C)(=O)=O)C3)CC2)o1 510056754 RWWOLGKNRDDNNU-HNNXBMFYSA-N 409.512 0.260 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)N(C)[C@H](C)CC#N 511008464 FCPFOGYYCNNLTD-GFCCVEGCSA-N 408.933 0.995 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCCC(=O)OC 514523328 NDCZCBWNLYOUOP-UHFFFAOYSA-N 413.499 0.892 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)c1 516408051 VGQSZMBGUOFLOR-UHFFFAOYSA-N 403.406 0.216 30 20 HCED COCC[C@@](C)(C#N)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 521108325 CATIDMQUIZKYCY-SFHVURJKSA-N 411.480 0.765 30 20 HCED N#Cc1ccc(CN2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 532916105 UTKUFURRVSGGFD-UHFFFAOYSA-N 413.503 0.962 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n(CCC#N)n1 533457024 OOERLCZUGOSAQA-GOSISDBHSA-N 423.477 0.415 30 20 HCED C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N(C)CCCc1[nH]nc(N)c1C#N 534833451 DBOSMAZUGJCGSH-CQSZACIVSA-N 413.482 0.694 30 20 HCED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538076545 CRDRHMGMRQBSSP-UHFFFAOYSA-N 424.527 0.769 30 20 HCED C=CCNC(=O)CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 538598990 LLMCQOVXOAJHDX-ZDUSSCGKSA-N 403.501 0.644 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 540972380 SIDDIKAOYOEQRV-YXAMBPQSSA-N 411.466 0.245 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C)c1=O)OCO2 546074932 KZQLTSGSXFHKIC-UHFFFAOYSA-N 415.471 0.459 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 550401004 SBYJBGIEALHACI-INIZCTEOSA-N 409.494 0.645 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)CC2)nc1 550902362 SJLZWLNBGOEJDA-OAHLLOKOSA-N 424.427 0.602 30 20 HCED CCOc1ncccc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 550926191 CXJDHKRJMYQYMF-GOSISDBHSA-N 421.457 0.885 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCC1(c2ccccc2)CCOCC1 551582533 WFMMRVYQAWWFQU-UHFFFAOYSA-N 420.491 0.808 30 20 HCED CN(CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)S(=O)(=O)c1cccnc1 553242934 DSHPOWITVOLYHU-HNNXBMFYSA-N 401.448 0.649 30 20 HCED Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCOC2)c2ccccc2c1=O 555487674 HZLMKKVEVYWCMG-CABCVRRESA-N 421.461 0.957 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CC2)c1 556241689 LFHCSLOTMNIBID-HNNXBMFYSA-N 424.427 0.602 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 560914342 UYNVPYCJIBGKLR-RCCFBDPRSA-N 407.492 0.567 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 564790980 ZXXZBJMCFXDISZ-DLBZAZTESA-N 416.478 0.402 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)C[C@@H](C)O1 569859555 XKXOMGAQLCERSL-GASCZTMLSA-N 422.573 0.228 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C1 571742223 CZORIVAQJZIFTN-QGZVFWFLSA-N 416.478 0.354 30 20 HCED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 575208542 SANZVGLDVJRDLY-CQSZACIVSA-N 409.494 0.700 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1F 579898576 KCNVCILIKAODAI-HNNXBMFYSA-N 424.454 0.289 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cn4ccsc4n3)CC2)c1C#N 581536826 GOAVJVJTYLIIQF-UHFFFAOYSA-N 412.479 0.274 30 20 HCED CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 585770869 RZIRQDVDRYHRBO-UHFFFAOYSA-N 413.478 0.840 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ccccn4)CC3)CC2)nc1 587659361 MDQQYIPZWDNNKP-UHFFFAOYSA-N 419.489 0.782 30 20 HCED CC(C)(CNS(=O)(=O)c1cccc(Br)c1C#N)NS(C)(=O)=O 588115179 XKAJFLNXNGXDNU-UHFFFAOYSA-N 410.315 0.927 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CCc2ccccn2)c1 589558291 OCTOXQQLUYFPNZ-UHFFFAOYSA-N 416.503 0.977 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1 609088778 JSXDZIRCHUTYTL-UHFFFAOYSA-N 402.379 0.250 30 20 HCED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 610900802 LRLZTWQEZZUGNM-HNAYVOBHSA-N 420.535 0.794 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)NC[C@H]3CCCO3)C2=O)cc1 733830030 DXKQURJNWKHDRC-HZPDHXFCSA-N 414.418 0.602 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 742500137 DEHQXECMPWBPRG-LLVKDONJSA-N 419.463 0.897 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 744633694 UFZUQFQHBYTLCX-QGZVFWFLSA-N 416.459 0.684 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCNC3=O)CC2)c1 748954485 WMWATOFNPLUERH-UHFFFAOYSA-N 404.492 0.618 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749856166 PTKBGILHVDQRTP-CYBMUJFWSA-N 400.504 0.798 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 752033409 ZZBMKBVKHYBKCN-UHFFFAOYSA-N 409.446 0.703 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1 753693898 UVNFWEHRGLUFTB-DLBZAZTESA-N 410.517 0.780 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(CC)s2)c1=O 758052122 BFEABMDLELBNOP-ZDUSSCGKSA-N 415.540 0.821 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(Cl)s2)c1=O 758055628 RUKWSXDTWSAPTG-NSHDSACASA-N 421.931 0.912 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)ccc2C)c1=O 758067660 HHTXBMNZTJRNSK-INIZCTEOSA-N 409.511 0.814 30 20 HCED C[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCS(=O)(=O)C1 764471777 NGQWTIOEIOVPAU-HZSPNIEDSA-N 400.501 0.822 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1)[C@H]1CCCO1 773791951 SCYAETFRAYEIIO-NVXWUHKLSA-N 415.446 0.160 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CCN2CCNC(=O)C2)C1=O 781103663 WMKAUJNASPBBDU-OAHLLOKOSA-N 417.535 0.803 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782343257 VXWQWOIUHPJFAW-KYOSRNDESA-N 400.428 0.184 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 783479820 GELCIBQHAPSZMT-INIZCTEOSA-N 419.503 0.721 30 20 HCED C#CCN(C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CCCC1 787182251 QHGVYBLLUDROPV-UHFFFAOYSA-N 410.474 0.279 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CCOc2ccccc2)CC1 787755385 LIAKINGAWWGRPV-UHFFFAOYSA-N 422.489 0.705 30 20 HCED C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cn1 788219246 OYBQMSBCBGSJOT-UHFFFAOYSA-N 418.475 0.476 30 20 HCED CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1=O 788766948 OJVHCXBODBATIV-UHFFFAOYSA-N 414.399 0.416 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)CCNS(=O)(=O)c2cccs2)n1 788810146 DMZNCJPEVGJDMU-UHFFFAOYSA-N 410.521 0.921 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1cc[nH]n1 789978277 JLGMXFUCZVISOS-OAHLLOKOSA-N 414.466 0.994 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc([C@H](C)O)s3)CC2)o1 798694115 CAPRITXMFJXJNM-JTQLQIEISA-N 405.436 0.870 30 20 HCED C#CCN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 799201116 XRVYLAFVOKZGSB-HZPDHXFCSA-N 404.492 0.882 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NC(N)=O)c2)c1 802330369 WRFMKQSRHVEPPX-UHFFFAOYSA-N 400.416 0.659 30 20 HCED CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1 804911857 KAERJUGLCKJAFF-UHFFFAOYSA-N 419.434 0.912 30 20 HCED C[C@H](c1ccccc1)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 816799469 IZZWQBJGARWQCO-SJKOYZFVSA-N 400.460 0.499 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)c1ccc2c(c1)OCCO2 821699761 HDAYDADRROYAHP-UHFFFAOYSA-N 416.411 0.922 30 20 HCED CNS(=O)(=O)c1ccc(C(C)=NNC(=S)NCCCN2CCOCC2)cc1 916311782 RCYJSCXYVDMZEI-UHFFFAOYSA-N 413.569 0.505 30 20 HCED COC(=O)C1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOCC1 1194369830 ZWBIDEXNVUTAFO-SFHVURJKSA-N 418.469 0.846 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)C[C@@H]21 1295454394 XLHFDDCQLYBIDH-AEGPPILISA-N 417.466 0.972 30 20 HCED CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1295969109 PHQSCRWVLONDFU-UHFFFAOYSA-N 421.465 0.667 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)c1C#N 1309550016 WKNUPNFOBDZXKZ-CYBMUJFWSA-N 418.566 0.600 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318037640 PWZFYXNDIZAOPF-RDJZCZTQSA-N 404.492 0.841 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2=O)cc1 1318541162 OBUIIRWLLAXGSO-MOPGFXCFSA-N 411.506 0.434 30 20 HCED CCN(CC)S(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1318815198 ONHNXJRDLHSFQO-CQSZACIVSA-N 407.452 0.466 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1321585323 LTPLYJACMWHFTR-UHFFFAOYSA-N 424.461 0.800 30 20 HCED COc1cc(NC(=O)CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1 1322411532 TXQMXLWNAJLNSK-HNENSFHCSA-N 402.407 0.675 30 20 HCED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(F)c1 1355138049 YAXIGBYJCCBZQB-UHFFFAOYSA-N 417.466 0.974 30 20 HCED COCc1nn(C)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441011692 OASVSIKQOXVTQQ-UHFFFAOYSA-N 403.464 0.585 30 20 HCED Cn1cc(CNC(=O)NC2CC(NS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 1469756259 MKDWLUJAGLTINF-UHFFFAOYSA-N 402.480 0.838 30 20 HCED Cn1ncc(Br)c1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1534948964 WUIFBHYQMNGCTK-UHFFFAOYSA-N 412.269 0.538 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1596831853 QJUVQZOUPYZQRP-HZPDHXFCSA-N 422.555 0.641 30 20 HCED Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cn1 1618384021 KBFGJRKTJQPBJO-SFHVURJKSA-N 419.511 0.358 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1622134794 MRPUAZJGOBTABH-STQMWFEESA-N 412.434 0.436 30 20 HCED N#Cc1cn(CC(=O)N2CCN(c3ccc(Br)cc3)CC2)c(=O)nc1O 1644605566 MBAHPFNLLLDUGP-UHFFFAOYSA-N 418.251 0.932 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC(CNC(=O)C(F)(F)F)C3)C2=O)cc1 1680779228 UTKSGFOTAMRQLD-OAHLLOKOSA-N 423.395 0.979 30 20 HCED CCN1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1695831937 ZIWUJFNFLMWMNF-GOEBONIOSA-N 409.560 0.970 30 20 HCED CN(C)S(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1747608759 XKFJSOXPORQCLS-KRWDZBQOSA-N 407.475 0.597 30 20 HCED CS(=O)(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1770310599 UDYYAJFGCRTDQW-INIZCTEOSA-N 416.507 0.960 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnc(O)nc3O)C2)CC1 1778006334 GBIBRKLDXUUJPP-BFUOFWGJSA-N 401.423 0.319 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS(=O)(=O)N2CCCC2)C1 1778091563 UYTOHKSFSGINJP-VQIMIIECSA-N 413.540 0.502 30 20 HCED O=C(CCn1ccnn1)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137801 HZTLQGWJILNVHH-GUBFPNNNSA-N 400.439 0.210 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1Cl 1780192311 UAFZJVWVHSZUQS-LJQANCHMSA-N 414.853 0.947 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CSc4ncccn4)CCO3)C2)c1 1780333105 SRYLDBOPPIHNJK-LJQANCHMSA-N 412.475 0.912 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(OC)c3)C2)C1 1780644568 MDRSDNIIHNLVCP-KOIKXXGWSA-N 413.474 0.997 30 20 HCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)cc1 1781011547 QGBMFMXRTXQSSG-XMSQKQJNSA-N 423.473 0.756 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1781396100 HRYUKYMSANWSPI-MGPUTAFESA-N 414.466 0.974 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781429562 KORAXMYLGVIXDU-UKKLRFBMSA-N 416.526 0.871 30 20 HCED CCOc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nn1 1782013554 VAKWJIMANBFNTD-FOIQADDNSA-N 416.434 0.091 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1782626173 WUKWMDYICPMYEG-ZCSODZSESA-N 402.451 0.568 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)[S@](=O)c1ccccc1 1782686808 OILQSPDVXBCBMX-ZBNNAPRQSA-N 418.471 0.101 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cc(C)c(O)nc4=O)C[C@@H]32)C1 1783469554 RPBTUWOXTGVOHR-XIRDDKMYSA-N 416.478 0.203 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccco3)[C@H]2C1 1783560547 VVUVVWZOGXZZKN-LAQRGFTBSA-N 418.494 0.575 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4c(n3)OCCO4)C[C@@H]21 1783681800 MXTNOAXBUMUNJZ-ZQIUZPCESA-N 414.462 0.996 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Oc3ccccn3)C[C@@H]21 1784481148 HTGVFKAAIJIUKB-GFEQUFNTSA-N 415.490 0.867 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OC(=O)OCC)C[C@@H]21 1784483416 XOIPZZZGPLLRDO-XAJHFOFHSA-N 410.467 0.566 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3Cl)C[C@@H]21 1784485505 OGWQFNSUTUIGNJ-VRKREXBASA-N 408.886 0.705 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccc(C)n3)C[C@@H]21 1788571425 LEWGUSNZGXVEMU-XLAORIBOSA-N 404.511 0.744 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(OC4CCOCC4)n3)[C@H]2C1 1789105558 VOKYWPLXAFNLIR-IEZWGBDMSA-N 413.474 0.866 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn(C)c3C)C[C@@H]21 1789890215 KZXBIRYXRMIEMU-SZMVWBNQSA-N 418.494 0.831 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1789952983 ZLJAJMVBVHYIAN-VGWMRTNUSA-N 411.503 0.038 30 20 HCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4CN3)C[C@@H]21 1791259258 UGRYRZJWIAJRSW-DTBDJWGBSA-N 403.548 0.999 30 20 HCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C[C@@H]21 1791276690 NYWCNALEWZBOPF-BXWFABGCSA-N 412.490 0.896 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(F)ccc(O)c1F)C2 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0.359 30 20 HCED C#CCCCCC(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834572357 CAVQGCZDXAWHDT-UHFFFAOYSA-N 411.568 0.796 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnc(Cl)n4)C3)C2)CC1 1835344476 HDRQJEDIIYLCFF-SFHVURJKSA-N 405.842 0.504 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516113 MBJPQVGLPTZSMW-OAHLLOKOSA-N 406.455 0.281 30 20 HCED COCC1(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CC1 1835674649 BDNSHZJBRIXWGR-NRFANRHFSA-N 422.526 0.151 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1835713482 NMQXURUQTXQJNJ-QGZVFWFLSA-N 419.526 0.874 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837693019 DRKWFSSVKKTJOR-HNAYVOBHSA-N 411.524 0.053 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838254298 QZALGNQTABQWLH-IBGZPJMESA-N 404.854 0.613 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838642027 XYIVDGYXXNKDOS-QGZVFWFLSA-N 412.393 0.051 30 20 HCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c(C#N)c1 1839132153 WDWLARNGDIFUKS-NRFANRHFSA-N 412.446 0.479 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1839228892 RYFHFOKLZPGJNO-OXQOHEQNSA-N 409.483 0.938 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351619 NWMOBZKUWLJWFR-DJJJIMSYSA-N 407.492 0.174 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc5ccnn45)CCO3)C2)CC1 1839497797 JEUJGEMGUJQANX-NRFANRHFSA-N 409.446 0.708 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1839890325 UTGVPBHLGRDDOU-MAUKXSAKSA-N 403.470 0.994 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840155888 FZUYLJYVPYEUCM-BZNIZROVSA-N 400.888 0.518 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1840160506 JBXFVQKGQBHYGX-JMERFSKESA-N 408.524 0.848 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840160971 AIONJIDINVCAFN-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1840166849 HLMXZRGEYCBESV-QFIPXVFZSA-N 415.490 0.893 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840784697 ZJDVKQARUMJYCX-YJYMSZOUSA-N 412.483 0.706 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815299 HWVHVGHXKTYWAG-QRWLVFNGSA-N 423.466 0.698 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840820361 LQGIBDZYRFUGNR-FVJLSDCUSA-N 417.437 0.751 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1841746420 JVTYAOZXWWONPK-OAHLLOKOSA-N 418.498 0.951 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)CC#N)C2)[C@H](O)C1 1842620928 HTWAAZAXMLSECD-HUUCEWRRSA-N 406.483 0.721 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c1 1847468680 XBORMJAEDAGSLY-IKGGRYGDSA-N 409.446 0.291 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC=O 1847939733 FJXLSIIGDTYDIT-FZKCQIBNSA-N 408.499 0.792 30 20 HCED CCOC#C[C@@H](NC(=O)[C@H](N)c1ccc(O)cc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 2048529311 FUPMDIHCHGVAAL-PNBKFKSVSA-N 407.492 0.769 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 409543779 HXSMOJYNBYGLKJ-OAHLLOKOSA-N 400.526 0.719 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)CCO1 410124722 LJQYEXXVJYRADK-KRWDZBQOSA-N 410.471 0.372 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 410125780 PQFDATXBLNYLQE-TZMCWYRMSA-N 409.386 0.504 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cc(F)ccc1N1CCN(C)CC1 410138988 AMSZQGISAMDOJK-HOCLYGCPSA-N 411.503 0.697 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 434742885 CIIYDHFCDPAZEA-ZWKOTPCHSA-N 411.572 0.179 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439289199 IQYBSSWXOOSAIP-CQSZACIVSA-N 413.466 0.492 30 20 HCED Cc1onc(CC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1C#N 440018515 IJOXKQNDIAVAQE-UHFFFAOYSA-N 409.390 0.375 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)nn1CCC#N 440105188 LOIZLBNZDGGXCB-WBVHZDCISA-N 408.462 1.350 30 20 HCED C=CCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 440297645 RYJADAMQTXCNEK-AWEZNQCLSA-N 401.510 0.256 30 20 HCED O=C(CN1CCN(CC#Cc2cccc(Cl)c2)CC1)N[C@H]1CCS(=O)(=O)C1 440508857 VOJDCYYQLSZHDI-SFHVURJKSA-N 409.939 0.612 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N(CCO)C2CCOCC2)n1 441908829 KMFVRLPVEPBZIO-UHFFFAOYSA-N 401.398 0.821 30 20 HCED C[C@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 448417743 NLGKPYULNMYUJU-IIBYNOLFSA-N 411.462 1.304 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H](CO)Cc2ccc(F)cc2)cn1 460713539 FTDDYQGMAXTKEB-INIZCTEOSA-N 408.393 0.936 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 468517508 SQDMDIAYEJFSSL-UHFFFAOYSA-N 420.447 0.204 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 474201615 YBOGPZNWQHRGDB-SFHVURJKSA-N 405.543 0.797 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 480839559 CBSLICQXILOHKY-OAHLLOKOSA-N 407.452 0.394 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)NCc1ccco1 481484214 VBYAIUGLBGLEDO-OLZOCXBDSA-N 404.448 0.639 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(CCn4cncn4)CC3)C2)n1 487553161 BMPMZAZALGVVQZ-LJQANCHMSA-N 408.510 0.914 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@@H]2C(N)=O)nnc1-c1cnccn1 488901369 SRDDBKDMYDJRCL-GFCCVEGCSA-N 416.467 0.199 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(CCC#N)CCC#N)c2)CC1 490009146 JHEPZXGVYHSGKK-UHFFFAOYSA-N 417.491 0.809 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 498870176 BKQZMEDCBVUNMW-GOSISDBHSA-N 420.473 0.492 30 20 HCED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)N3CCS(=O)(=O)CC3)C2)c(F)c1 500094666 BCVCNWBHONKATO-AWEZNQCLSA-N 416.500 0.231 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)n1 510628357 KUTRBQJEGOJWHI-UHFFFAOYSA-N 406.454 0.203 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)C1=O 518959143 HQSIXTMQYVRKOQ-KRWDZBQOSA-N 414.462 0.023 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 533343684 XXNUXSLGHBRUFU-IBGZPJMESA-N 409.471 0.963 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1O 536371302 SZUYMSSELNLIKY-DOTOQJQBSA-N 406.508 0.094 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)n1 538080848 BHPNLZSOZZWMOM-UHFFFAOYSA-N 411.466 0.996 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)O 542859064 SWCKRZHUPSZJTF-OAHLLOKOSA-N 400.478 0.616 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2C[C@H]2CCCO2)CC1 555398000 AYYNGPSKXXKBBB-YQVWRLOYSA-N 418.542 0.979 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCCOC[C@H]3CCCO3)CC2)n1 559473489 OQYSIEPENWMHGU-QGZVFWFLSA-N 401.467 0.304 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCSC1 559866075 WPGZRQHQUZHPRJ-NRFANRHFSA-N 415.563 0.756 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)ccc1C 562484037 RKAPWUILHIGMJV-UHFFFAOYSA-N 413.499 0.830 30 20 HCED CN(C(=O)Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O)C1(C#N)CCCCC1 562491827 OHMSHYGNZCVDDI-UHFFFAOYSA-N 406.468 0.218 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@H]3c3ccccc3)CC2)c1C#N 569162606 VLYUCGBJDQCQRI-RTBURBONSA-N 422.489 0.895 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 578583677 MDOVQHHODSROJS-MRXNPFEDSA-N 407.540 0.226 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)C1=O 581446419 VMJPWQPCZOWRAA-CZUORRHYSA-N 422.507 0.017 30 20 HCED CCOCCOCCN(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587664276 HCAHFEKFIWRWGI-UHFFFAOYSA-N 403.483 0.550 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 588126958 WOAWQKAQHHUBRA-UHFFFAOYSA-N 417.897 0.729 30 20 HCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 589157163 NWMXAZWEADEVSR-UHFFFAOYSA-N 401.463 0.961 30 20 HCED N#Cc1cc([N+](=O)[O-])cnc1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 603853552 AKKPWPMHHWMYGM-UHFFFAOYSA-N 417.451 0.820 30 20 HCED N#CCNC(=O)CN1CCN(C(=O)c2ccccc2I)CC1 609417635 DYMDDBQEVJBDQH-UHFFFAOYSA-N 412.231 0.689 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(c4nn[nH]n4)CCCC3)C2=O)cc1 609881626 BGSYKUGMAYQANX-AWEZNQCLSA-N 408.422 0.862 30 20 HCED N#CCN1CCC(NC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CC1 610916203 IAZZAAOBSHLJTK-INIZCTEOSA-N 411.462 0.681 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCNC(=O)c3cc[nH]n3)cn2)cc1 611547637 SNQYMNQKAQKFGI-UHFFFAOYSA-N 419.401 0.953 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(OC)cc2OC)C1=O 726042985 QHLJXWCJPWYOHP-LLVKDONJSA-N 404.375 0.795 30 20 HCED CC(C)[C@H](C#N)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 731846758 QEZCYUMRNUDEMT-INIZCTEOSA-N 404.515 0.828 30 20 HCED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C1CC1 735190396 MUARRUBLJBCJKW-CQSZACIVSA-N 422.467 0.255 30 20 HCED C[C@@H](CC(=O)N1CCc2nn(C)c(=O)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 744622927 MZOZDFXQAXOWQE-LBPRGKRZSA-N 415.475 0.182 30 20 HCED O=C(NO)c1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 746263266 GFAVZDLFLWIPHN-UHFFFAOYSA-N 419.459 0.757 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)cc1 747495896 XXJFLPIAUNSQGH-UHFFFAOYSA-N 407.473 0.793 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](C(=O)N[C@H](C)CCC)C2)c1=O 747800252 KBHURJXANNISEX-IAGOWNOFSA-N 419.526 0.518 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 748815502 AJLDOBUMGQINTP-NRFANRHFSA-N 409.534 0.187 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 756894662 ODBBWSMDEXXSJK-PWSUYJOCSA-N 414.509 0.813 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)CC1 760215845 IXBINKXNVYXGSQ-UHFFFAOYSA-N 409.450 0.206 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 760784599 YSQZWJPHYSWGIO-GFCCVEGCSA-N 408.411 0.832 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1cccnc1 766979525 YSNNWMLJMSKCJZ-UHFFFAOYSA-N 424.460 0.087 30 20 HCED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767634165 FFLYMYREBCEKFX-VXGBXAGGSA-N 410.452 0.391 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 767681972 ULUGKDSOFJMTDO-SJKOYZFVSA-N 412.427 0.867 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 767753088 YFRXGHMOPBVWOF-UHFFFAOYSA-N 417.487 0.464 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCCn2ncc(C#N)c2N)C1=O 771598850 DLKJAUOMCUZROP-IBGZPJMESA-N 412.406 0.356 30 20 HCED COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 781517169 KUJCQSVCHBGVRK-PFONDFGASA-N 420.809 0.708 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)nc1 782129391 HYIZBPCLFDYKOA-UHFFFAOYSA-N 412.837 0.798 30 20 HCED C#CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 784455291 XVYWCVSGGGHXNA-UHFFFAOYSA-N 400.400 0.455 30 20 HCED CC(C)(C#N)CC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 785090007 AWYSNUOEAFSWFE-KRWDZBQOSA-N 415.446 0.980 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCCO1 787199578 PYJZEXCXCMMBSP-LAQRGFTBSA-N 400.479 0.608 30 20 HCED C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 788343365 IVMNAHKIBNNHMA-HNHQJQRFSA-N 408.480 0.420 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)[C@@H]1CCCO1 793952981 QMYALIOXOGKZEN-MSOLQXFVSA-N 421.519 0.428 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794645415 MWFAGJBHPRLVKL-AWEZNQCLSA-N 418.544 0.505 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)O)ccc2c1=O 794822672 DKNJGUAQHSMBOL-NSHDSACASA-N 418.475 0.923 30 20 HCED Cn1ncc(I)c1C(=O)OCC(=O)N(CCC#N)CCC#N 796596930 ALYLULMPHQEPOZ-UHFFFAOYSA-N 415.191 0.837 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 799283889 SHQLNIRTAQFLGN-QGZVFWFLSA-N 407.430 0.373 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 799286883 KTXSTAGCVDWGPM-RDJZCZTQSA-N 421.519 0.936 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799558806 NLSNMJDBORGUKN-UHFFFAOYSA-N 424.433 0.921 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 805570728 KMPRLIDXQBGDKU-UHFFFAOYSA-N 407.404 0.358 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O 807135869 RZUJEYUASCTMAI-AWEZNQCLSA-N 410.268 0.937 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)[C@H]1CCCO1 809313528 VDGSFBZOYGLBGY-QZTJIDSGSA-N 417.437 0.172 30 20 HCED CCOC(=O)c1nc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc1C(C)=O 815491817 YOYTUEMPJSAJKM-LBPRGKRZSA-N 419.463 0.660 30 20 HCED Cn1cnn(CCC(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1=O 815915005 AGRJDQFIVFXDLE-MRXNPFEDSA-N 422.449 0.266 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(nnn3CCOC)C2)ccc1F 817826848 CTXTVXLYFXNZOT-UHFFFAOYSA-N 423.470 0.726 30 20 HCED CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 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0.891 30 20 HCED Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(CC(F)F)CC2)n1 1503687933 WEVPWMIRLSRLDD-UHFFFAOYSA-N 414.424 0.776 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1507854415 OKYWKGCZTVHWND-RYUDHWBXSA-N 404.924 0.603 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1539804230 SZCAECZXHNVDHN-UONOGXRCSA-N 419.935 0.979 30 20 HCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1555799483 UIIOWRMKQUNZMO-QFBILLFUSA-N 417.491 0.591 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2ccnn2C)C1 1558599847 ITLLZGXIJZCCTK-CXAGYDPISA-N 403.464 0.559 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)CN2CC[C@@](O)(CC#N)C2)ccc1Cl 1559942314 SOELKWAVSANKIN-INIZCTEOSA-N 400.888 0.879 30 20 HCED CC[C@@H](C)[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)NCCN1CCOCC1 1584962448 MVVPPSIRVQOLQF-DNVCBOLYSA-N 402.499 0.344 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccs1 1723961256 WNWNRLVZYINLOE-NWDGAFQWSA-N 411.513 0.316 30 20 HCED 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C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817255166 PAZFQQILGLIOEN-ZDUSSCGKSA-N 405.459 0.394 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817615272 RYYVHFOCULWOQB-UONOGXRCSA-N 402.459 0.662 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn3c2OCCC3)n[nH]1 1821433815 HULZSJPSFDMEMM-CQSZACIVSA-N 412.406 0.783 30 20 HCED C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1ccc(O)nn1)CC2 1826028196 URVHJLRJLPLBLS-BDAKNGLRSA-N 409.493 0.948 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)CC2 1828100910 IDAJDCXOOUUOTF-GFCCVEGCSA-N 415.475 0.739 30 20 HCED O=C1NCc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)ccc21 1831216639 WMDIYDZIFCBIAO-HSZRJFAPSA-N 423.469 0.413 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1831393393 LKFFZYMABIKMBU-IERDGZPVSA-N 419.453 0.258 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)o3)C2)C1 1831402710 PWDIEHYIDDZGQT-DYESRHJHSA-N 404.463 0.625 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@@H](C)CC)C2)C1 1831404539 PZEKXUDUXCSLFR-FBBABVLZSA-N 412.527 0.833 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1831406866 JMOGCMAHRIDORU-IBGZPJMESA-N 424.523 0.778 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1831420520 WLPJQSZXKFUSOE-JOCHJYFZSA-N 423.554 0.912 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1831427274 SVDXDSQYKGXEAE-AUUYWEPGSA-N 424.885 0.791 30 20 HCED CC(F)(F)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1831684261 KGBWYIBYZOQJQC-SFHVURJKSA-N 402.394 0.212 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1832065361 WJDXLKCHNQAVQC-SIKLNZKXSA-N 412.490 0.722 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1832460934 KBUCBDOODXLDFT-XATQLNLPSA-N 411.524 0.402 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833502886 OHYRLDIYNNWDGX-YWZLYKJASA-N 420.466 0.146 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnn(C)c3)CC2)CC1 1834189544 IQTJCTJKOQPCKW-MRXNPFEDSA-N 401.511 0.644 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834605139 DRJZBMJLALGRJN-DYESRHJHSA-N 420.462 0.283 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CCc3ccc(O)nn3)CC2)CC1 1834606953 ZVIHEIWNROCKRH-UHFFFAOYSA-N 414.510 0.990 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834740433 KXEGRVCJXPIFQQ-CRAIPNDOSA-N 424.542 0.212 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1834767208 NMXZNPHVWHIOSP-WIYYLYMNSA-N 411.462 0.123 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccc1Cl)CCO2 1835014107 VKHIKFGGPAPWIH-HXUWFJFHSA-N 420.849 0.427 30 20 HCED CC[C@@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835057774 NLWRYKNLWJXDHZ-QGZVFWFLSA-N 418.542 0.699 30 20 HCED CC(=O)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102840 MMZBCHKQBZDUGI-QFIPXVFZSA-N 413.474 0.021 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c5c4CCCC5)C3)C2)CC1 1835342182 MKZWPPIKMRGAPP-OAQYLSRUSA-N 413.478 0.662 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1835365603 MROAPSLYJRVANN-HXUWFJFHSA-N 405.426 0.692 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835693587 GCHPAUVJGRBTLN-UYAOXDASSA-N 420.535 0.457 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CCNC(=S)NC)CC2)CC1 1835743745 YTYUDIWVGAHNQM-UHFFFAOYSA-N 407.584 0.455 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835807422 NQHADFKDTHCELE-XMSQKQJNSA-N 414.506 0.735 30 20 HCED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835883485 GURYCLVCQGRHMY-QHCPKHFHSA-N 413.518 0.883 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1836883322 SXYBBUNGEFDUTD-GOSISDBHSA-N 402.557 0.948 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccn5cncc45)CCO3)C2)CC1 1837109730 UVZUVXYDOQUXLK-OAQYLSRUSA-N 409.446 0.708 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oc(C)nc3C)C2)C1 1837398551 DGDIDLFHJQLTRQ-IERDGZPVSA-N 421.494 0.935 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837447767 SEPKYBXKQTVXMC-PPRFWAEMSA-N 410.490 0.807 30 20 HCED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561455 MEXPDFXLIDXZFM-XACCNFBGSA-N 415.450 0.202 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837792321 BZEUIXNILXNSPH-FQEVSTJZSA-N 421.494 0.905 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)c1 1838734614 FQYNYPFWMVDKRA-WIYYLYMNSA-N 424.461 0.051 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccc4F)C3)C2)c1 1838738080 PABXWBVRWNFNPY-FQEVSTJZSA-N 413.409 0.804 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839302766 KYVNPTZABCGFQU-VFNWGFHPSA-N 420.437 0.640 30 20 HCED COc1cc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c(F)c1 1839333046 LYQVBADTFZMXHJ-LJQANCHMSA-N 409.389 0.957 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)c1 1839451922 WWDNBVWEKDPJBK-QFIPXVFZSA-N 423.473 0.984 30 20 HCED Cc1ccc([C@@H](C)C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044625 OHWXIRBILQAJAR-VGSWGCGISA-N 414.458 0.643 30 20 HCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@H](C)S)CCO4)C3)(C1)C2 1840165157 XBMNGVQCHWUZBF-CYBNEDPLSA-N 412.508 0.104 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415910 UDDMMNCZVVSSEP-RLFYNMQTSA-N 411.528 0.250 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840439368 YFTHUTIHRONUER-LPHOPBHVSA-N 408.524 0.820 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484357 NCAXBHXPLMKNNU-XCJDPYLSSA-N 420.535 0.901 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840593063 TYEOBJBRPMAPQQ-OAQYLSRUSA-N 422.526 0.030 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](C)n2cnnn2)C3)c(O)n1 1842298158 DRKMQDKAZLFZSK-AWEZNQCLSA-N 411.466 0.971 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844286367 KGTWCCHJUOYNLR-RYFGYPJOSA-N 422.482 0.156 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]nnc4n2)C3)c1 1845522288 ILROVVYFWSEDKV-UHFFFAOYSA-N 418.417 0.124 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc([N+](=O)[O-])c1OC 1845552439 PVTATNSOOVOTPU-UHFFFAOYSA-N 417.374 0.517 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1845960609 UJFQQMXVRCAXFG-OWCLPIDISA-N 403.479 0.705 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 104735192 WKKSKYXIZCMBPQ-KRWDZBQOSA-N 407.492 0.614 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 109356444 CLIVCWCUZBGHRF-INIZCTEOSA-N 421.505 0.967 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCC/N=C(\N)N1CCN(C(=O)OC(C)(C)C)CC1 303975040 IMAWVZXWABRZCS-MRXNPFEDSA-N 410.563 0.797 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 409543693 MMYAVJNYJQDLQZ-UHFFFAOYSA-N 423.539 0.786 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CCO1 409560702 HEBAUBNLOGRUIA-MRXNPFEDSA-N 411.459 0.881 30 20 HCED Cn1nc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC(F)F 426684394 ZIGTYGYQUPXPOR-UHFFFAOYSA-N 405.365 0.575 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)n2)cc1 434555914 LFOVVOZAPJPMPX-SFHVURJKSA-N 407.478 1.270 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCO1 436133823 SDJXDZKBTFPPCQ-ZDUSSCGKSA-N 414.434 0.022 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 437477865 UVESOXZLAPDEHZ-DYVFJYSZSA-N 415.537 0.760 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 439542468 BJPQPQULMPGIRM-OAHLLOKOSA-N 421.523 0.760 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCCN2CCC[C@H]2C(N)=O)c1 443481398 FNBPDINQGWJNAT-AWEZNQCLSA-N 415.313 0.939 30 20 HCED CN(C)c1nc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc2o1 446521421 GYGVABMRVGKOBT-UHFFFAOYSA-N 414.466 0.907 30 20 HCED COCc1ncc(-c2noc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)n2)c(N)n1 460628937 KPPTWMLPLBLCFI-UHFFFAOYSA-N 415.435 0.948 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1C#N)S(=O)(=O)c1ccc(Br)cc1 461844470 GSDPYKOUCFNGTO-LBPRGKRZSA-N 402.270 0.821 30 20 HCED C=C(C)CN1CCC(NC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 463331154 WZTVNLOEFMCVOO-INIZCTEOSA-N 400.545 0.362 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 465408124 SCJGXFDIIMPYHV-AWEZNQCLSA-N 421.461 0.853 30 20 HCED COC(=O)CN(CC#N)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 471154831 XBOQEYAFJYDKCO-UHFFFAOYSA-N 402.860 0.527 30 20 HCED CCN1CCN(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C(=O)C1=O 502044021 NJDUUWRLSPQVRD-UHFFFAOYSA-N 411.462 0.426 30 20 HCED CNC(=O)Cn1nc(NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cc1C 503993072 ZFQYZXXSXQRUQB-RNODOKPDSA-N 407.434 0.815 30 20 HCED CC[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1nccs1 505182918 HIUJWIYUMMJVMA-AWEZNQCLSA-N 401.496 0.973 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccccc3OCCO)CC2)n1 506194490 YCIIYCFMJDCYNE-UHFFFAOYSA-N 409.446 0.289 30 20 HCED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 506883400 FYFKVHWZZIGNLS-LBPRGKRZSA-N 423.470 0.637 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 509362586 XGWRMHANKDZDFJ-CRAIPNDOSA-N 407.540 0.952 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)S1(=O)=O 509739971 LLRITCYBDBFTPY-SWLSCSKDSA-N 416.463 0.502 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)n1 510628682 JMHVXNWXGOXZHM-HUUCEWRRSA-N 422.445 0.771 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(C2CC2)c1=O 512790086 GGYPADBZNKPTIE-UHFFFAOYSA-N 406.471 0.998 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O 513947104 SXJNPHOYVWOZBD-SWLSCSKDSA-N 406.464 0.221 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)S1(=O)=O 518445666 UQZTVNQOIORJOW-OAGGEKHMSA-N 410.565 0.964 30 20 HCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 524282768 JYZMZGBLPAIYGW-UHFFFAOYSA-N 404.451 0.537 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)c3cn(C)c(=O)nc3O)c(C#N)c2N)cc1 531460953 DZTMCAJIJKIGJI-UHFFFAOYSA-N 407.434 0.797 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC=C 542934257 IUPISIQYBIJYIR-UHFFFAOYSA-N 402.457 0.871 30 20 HCED N#CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)C1 558562807 PZJKJNNQRRZHND-UHFFFAOYSA-N 422.688 0.868 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)c2ccc(OC)cc2)CC1 559413736 DRHKGEFNZCZRHR-GOSISDBHSA-N 402.495 0.709 30 20 HCED COCCC(=O)N1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 571736196 RICKKQCDPKDYOG-UHFFFAOYSA-N 400.483 0.812 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 572517790 JJJHIPZXSZIHRQ-XLIONFOSSA-N 414.506 0.903 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4O3)C2=O)cc1 577414952 JJUHIVRXVSGOPY-UJWQCDCRSA-N 408.458 0.411 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCOC[C@@H]3CCCO3)CC2)nc1 581000547 WKMRDOCPMVRIPQ-KRWDZBQOSA-N 401.467 0.304 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)CC1 588125938 SRKRYFNRLLARJA-UHFFFAOYSA-N 407.478 0.315 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)C2=O)cc1 588868778 RWLYDHDDBGYQMH-IEBWSBKVSA-N 420.473 0.905 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(N)=O)c2=O)c1 589158948 QXPBKGHYEGZFAY-ZDUSSCGKSA-N 413.499 0.912 30 20 HCED Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1S(=O)(=O)NCC#N 609414539 WVUCMORRXLYXLO-IRXDYDNUSA-N 406.508 0.468 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CCN2C1=O 610584319 VUZMQLLSJIGOIL-INIZCTEOSA-N 409.450 0.645 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H](O)C3)c2)c1 610606794 YJNWTNPQTQZUAY-BGYRXZFFSA-N 422.437 0.766 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 619693759 TYKOVLHWXOATCF-UHFFFAOYSA-N 420.539 0.226 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 677462414 MPEJQDHTSOCYTH-GASCZTMLSA-N 407.471 0.166 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 727750934 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Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cn1C 750619663 CTAJSWRMBRZNMK-SJCJKPOMSA-N 413.500 0.383 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 751632720 QQOKJEXJSMHMMA-LBPRGKRZSA-N 424.460 0.852 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCOCC2)cc1C#N 752379157 QSRYGMYJHLVLIG-UHFFFAOYSA-N 403.439 0.904 30 20 HCED CNC(=O)N1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 754337711 MSQOQJWKOKGIEE-HNNXBMFYSA-N 421.523 0.623 30 20 HCED NS(=O)(=O)c1ccc(NN=CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 755465237 GPEPTFLBGYUJIV-UHFFFAOYSA-N 403.376 0.936 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)[C@H](C#N)C1 757595081 RXQVZLPPPTUKIY-DGCLKSJQSA-N 412.443 0.962 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 758613440 CVGMJWBJKIXUKW-KBPBESRZSA-N 400.501 0.869 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758756259 XJRJGOUBVAJHQK-MELADBBJSA-N 415.516 0.469 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 759327009 YQKXHIPJTSWYPR-GOSISDBHSA-N 408.424 0.956 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CCO2)c1 762012275 ZJXGUXUIVWEJEN-SFHVURJKSA-N 408.414 0.961 30 20 HCED COC(=O)[C@@](C)(O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 763232055 LZBQEYZEXWDKMI-SFHVURJKSA-N 411.480 0.326 30 20 HCED CCOc1cccc2cc(C(C)=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)oc12 771896801 IXIHIDVJBPWVKD-UHFFFAOYSA-N 420.447 0.931 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc[nH]n1 772381105 DRSKTAGHIGBZBL-AWEZNQCLSA-N 405.455 0.601 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 775845413 JLFHLNKQNYUMIN-ZWKOTPCHSA-N 423.558 0.904 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)c1cnn(C)c1 778405319 ZIDKAGTWWTWAMJ-JKSUJKDBSA-N 419.507 0.867 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1I 783348220 ZOWGIIBIVJMQRM-UHFFFAOYSA-N 422.244 0.947 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 785065830 LOJGGTLQCFKMJS-MPBGBICISA-N 413.434 0.753 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C#N)COC)CC2)o1 785173086 RBOSPTKYTZJCFN-ZDUSSCGKSA-N 414.436 0.939 30 20 HCED Cc1oc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1C 786361448 FBVYDJJSVKQELS-OMNBBPDLSA-N 415.402 0.802 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 786369706 WNUHWXRPFOXKBQ-SMYFESCOSA-N 423.425 0.759 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C(=O)OC)cs2)n1 789788435 RLXVOGANVYSZIV-UHFFFAOYSA-N 404.448 0.978 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1 789833617 HUTJMSYCRQETTM-PKOBYXMFSA-N 403.454 0.700 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)c1cc[nH]n1 789947203 YTIGPWJTVBWCQX-UHFFFAOYSA-N 409.424 0.121 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 790845372 QUJVAIKOXPSZAX-UHFFFAOYSA-N 416.434 0.884 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)CC1(C#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 793205292 VJPIBDGAZBZRLM-LLVKDONJSA-N 410.477 0.253 30 20 HCED CCN(CC(=O)NC(C)C)C(=O)COC(=O)C1CCN(c2oc(C)nc2C#N)CC1 796280850 WWZILHWENOJSFH-UHFFFAOYSA-N 419.482 0.987 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 800900221 QFAUHHSIBUTHPA-HNNXBMFYSA-N 403.549 0.998 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCn3cc(C(=O)OC)nn3)ccc2c1=O 803644922 WXTUENOVQAAPGA-UHFFFAOYSA-N 414.447 0.679 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](C(=O)N2CCCC2)C1 805273490 QFTGGINGJBTYGB-AWEZNQCLSA-N 404.492 0.586 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)[C@@H]1CCCO1 809305181 ZAPJEUBXTPEHQK-UFYCRDLUSA-N 424.501 0.233 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cscc2C(F)(F)F)c(=O)n1CCOC 811726136 RUCDYCDOFQWKPS-UHFFFAOYSA-N 417.434 0.886 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 815880097 WYOPYMCEXRUFLL-UHFFFAOYSA-N 411.378 0.238 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccc1 839246495 ZAMUBSKSXSLDEW-UHFFFAOYSA-N 421.526 0.914 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)C1 967236251 SJXTVMNMEFEFDN-MVBLQPKNSA-N 403.523 0.748 30 20 HCED CCN1CCN(CCc2noc([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)C(=O)C1=O 1116809596 UDVHZZBYYCJWMC-HNNXBMFYSA-N 422.445 0.695 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300823986 MQTCPPRSXCHYJE-NSHDSACASA-N 413.276 0.966 30 20 HCED N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CCN1C1CC1 1302436083 AARUSMGKDVXINZ-CQSZACIVSA-N 424.548 0.706 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2=O)cc1 1318498400 SVESFZSNJUPDJY-KZNAEPCWSA-N 411.462 0.743 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 1318903523 PNIXDCGTDMWSKA-MAUKXSAKSA-N 421.461 0.892 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1319284937 ZVVAGZJZERZUKO-UKRRQHHQSA-N 404.492 0.742 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCN3CCN(c4ncccn4)CC3)CC2=O)cc1 1332496141 ARDIUEOJAQDPNN-GOSISDBHSA-N 419.489 0.640 30 20 HCED C=CCn1c(Cc2noc(CCNC(=O)c3ccco3)n2)nnc1N1CCOCC1 1342527033 HIZNOBYUTYOJPI-UHFFFAOYSA-N 413.438 0.840 30 20 HCED COc1cccc([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N(C)C)c1 1468018461 QVUFFMRZDCAQCU-MRXNPFEDSA-N 400.439 0.431 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@H](C)C1 1503833341 INCLWOCXIPXEJB-CQSZACIVSA-N 404.496 0.981 30 20 HCED Cc1ncsc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1510452637 NBRBVSGCFIADGR-KBPBESRZSA-N 422.536 0.917 30 20 HCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 1512421294 RDKCPXPGQXWSIU-OKILXGFUSA-N 404.496 0.980 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1620167673 KYMHYDZIUWFEKU-GDBMZVCRSA-N 408.528 0.946 30 20 HCED N#Cc1ccn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c1 1652104526 QRNLRKKJZRTKLQ-UHFFFAOYSA-N 402.432 0.380 30 20 HCED C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1684623697 RIEKRSIVGHXCCO-YJBOKZPZSA-N 410.478 0.888 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1728257958 KTSGISAXYRIQNQ-UHFFFAOYSA-N 402.480 0.530 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891348 BSKGTJIFGYZNNP-KRWDZBQOSA-N 422.400 0.905 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cncn1 1779137711 CJDOXYRAVNTSMH-PPAFRJCWSA-N 400.439 0.381 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)C1 1779176582 UAXFOAOBJMATCJ-YCRPNKLZSA-N 413.478 0.391 30 20 HCED N#CCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779207217 KLYPAASUIPNIKZ-XJDXJNMNSA-N 400.435 0.586 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)ccn3)C2)C1 1779533579 ANULEOOAFNKZKC-OLEQZPESSA-N 414.462 0.392 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](NC(C)=O)c3cccc(Cl)c3)C2)C1 1780930466 BPLMUENLLZJTDH-UYAOXDASSA-N 403.866 0.980 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781104436 YUFZCOQSGVGJBD-JBYIUTFZSA-N 422.570 0.025 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1781393513 QLDQVDUWHHCZIP-MGPUTAFESA-N 404.467 0.630 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782606044 WLFGEMCBDICDHP-LLBVYWAGSA-N 424.501 0.621 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1csc(C(F)(F)F)n1)CCO2 1783567326 VOZBMJHXYNUAGI-HNNXBMFYSA-N 417.365 0.693 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](Cc4cnc[nH]4)NC(C)=O)C3)C2)C1 1784369673 PUKZKMWATHSGDK-WIYYLYMNSA-N 415.494 0.253 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1784504914 XGPYERXNHJATRD-VGWMRTNUSA-N 412.556 0.041 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)C1 1785539839 QOKOGDVIISAPFK-GOSISDBHSA-N 409.533 0.643 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637090 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C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CC(F)F)cc1 484755754 PUNOQONKDGUEQY-UHFFFAOYSA-N 405.423 0.518 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)ccc1F 484961823 RDLQNHPNMFRKIY-UHFFFAOYSA-N 405.407 0.718 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 487237109 ZSFRXBVNBOXJCG-UHFFFAOYSA-N 419.507 0.932 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 487978835 YVJVVTVWUKPEPX-AWEZNQCLSA-N 400.526 0.931 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)nn1CCC#N 505082890 YGXVRQUKTJZGCF-INIZCTEOSA-N 424.461 0.840 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 509255233 MXOIOKGERWTFBJ-OAHLLOKOSA-N 421.479 0.278 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C[C@@H](C)C#N 513376217 MUFWLMUOGRNQAI-HNNXBMFYSA-N 423.495 0.909 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2[nH]nc3c2c(-c2ccccc2)nn3C)C1=O 523734515 XJLJYTMUPQHINB-UHFFFAOYSA-N 407.390 0.879 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccnc1OCC(F)F 527338016 REAJXPMVVSBAMK-UHFFFAOYSA-N 407.381 0.932 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 531800349 JVPILZVKLKFBEB-ZDUSSCGKSA-N 400.464 0.275 30 20 HCED N#CC1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCSCC1 534465299 XRAKCSINZADUCR-UHFFFAOYSA-N 408.505 0.326 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 537818917 JRZIRFPAAHHEBN-OAHLLOKOSA-N 408.480 0.824 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 541364794 UHOBRBFUPWAJKV-UHFFFAOYSA-N 411.418 0.201 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)C1=O 551197965 KDSSENNWGRORAE-IBGZPJMESA-N 413.522 0.170 30 20 HCED C[C@@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(N)=O 551353419 JNOYMIGZQMVEEQ-UGSOOPFHSA-N 417.429 0.851 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)CC2(C#N)CCC2)c1 554905443 HFEOZJPPBLHEDF-LBPRGKRZSA-N 414.509 0.535 30 20 HCED CCNC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 554972236 HMDNYVQUCSYYCZ-UHFFFAOYSA-N 400.460 0.903 30 20 HCED CSCC[C@H](C(=O)NCCn1cnc(C#N)n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 561274055 LPIHALNTYOEQHX-MELADBBJSA-N 404.496 0.563 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 561955695 SYGOHXHZBWVISC-OAQYLSRUSA-N 414.462 0.704 30 20 HCED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 562149115 GTRLJIDUSDVWFK-DLBZAZTESA-N 407.492 0.615 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2ccc(F)cc2)c1 563484228 VVULYGRJMAGMFX-HNNXBMFYSA-N 407.423 0.532 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 568038958 SVNXXWFULUNNLZ-IBGZPJMESA-N 418.513 0.955 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 571816269 CDUUFAUYVWCGET-OKILXGFUSA-N 409.468 0.942 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cnccc2C#N)CC1 574980596 MCXDNEDCCQJVAD-AWEZNQCLSA-N 414.491 0.750 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 581458540 XVMKXVUOLHWXKH-UHFFFAOYSA-N 404.404 0.940 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(C#N)c1 587674076 LISUUUVVUAQUEW-RHSMWYFYSA-N 408.462 0.776 30 20 HCED Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)nc12 588301944 SXXVMRUNLYSAQY-UHFFFAOYSA-N 417.473 0.917 30 20 HCED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609992084 VHGNLEWLWUOVGN-UHFFFAOYSA-N 404.448 0.484 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2CCN(CC#N)CC2)cc1 610427060 ARLKVMBRXZFEFH-UHFFFAOYSA-N 408.480 0.246 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 610805005 MQQUCPHKBPRXON-QAPCUYQASA-N 403.508 0.917 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)C1=O 623214654 ZQMYHNSSNCCRBD-UHFFFAOYSA-N 414.462 0.706 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccn2C)CC1 669817847 ZISPNJBTQVGZSV-CQSZACIVSA-N 421.527 0.375 30 20 HCED CN(CC(=O)NCc1ccc(C(=O)NO)cc1)S(=O)(=O)c1ccc(C#N)cc1 671994877 AWBWTRVZYURFKV-UHFFFAOYSA-N 402.432 0.614 30 20 HCED C=CCn1c(Cc2noc(CCCCN3CCOCC3)n2)nnc1N1CCOCC1 680713954 RWZYDXPQKOQYNY-UHFFFAOYSA-N 417.514 0.929 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 731629548 DXODBXOHDXPNBN-UHFFFAOYSA-N 403.552 0.557 30 20 HCED CC(C)NS(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731863043 PFTQDUZUYKDPBY-VLGSPTGOSA-N 406.464 0.630 30 20 HCED N#CCOc1ccc(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 732070060 CCSRDYPEURUXBS-IBGZPJMESA-N 400.479 0.918 30 20 HCED CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)CS(C)(=O)=O 732975981 DDTZOZXXWYELLS-ZDUSSCGKSA-N 415.537 0.787 30 20 HCED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 733161556 YOFZOFJZLURBLA-CALCHBBNSA-N 405.520 0.876 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 740685475 IDDFGPRLKZQVNB-UHFFFAOYSA-N 415.855 0.500 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1CCOC 742144192 YSZRLCNYRKMEHP-UHFFFAOYSA-N 407.879 0.467 30 20 HCED N#CCN1CCC(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 742186328 GFQBHOMJXWITCO-UHFFFAOYSA-N 402.476 0.959 30 20 HCED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 742607303 GFKOMHLJJKFYQB-UHFFFAOYSA-N 423.535 0.712 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 747735348 OZYIUBKVTJEVNW-ZACQAIPSSA-N 419.547 0.881 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)CC1 747820085 JBLFWPDETZGQEI-HXUWFJFHSA-N 424.501 0.830 30 20 HCED N#CCN1CCC[C@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 748321166 HBXWHXNGUGSASG-OAHLLOKOSA-N 403.508 0.857 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2cc(C(N)=O)no2)cc1 752684681 NAXJCBXHRJFGGN-JCMHNJIXSA-N 420.451 0.908 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 761007721 SGLJXIZQDZNIHP-UHFFFAOYSA-N 420.422 0.673 30 20 HCED C[C@H]1CN=C(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)S1 765659246 UYRXJWALDTZMAM-UONOGXRCSA-N 421.548 0.861 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCN(C2CCOCC2)C1=O 767678644 GBOBKFHJAKMLHJ-DYVFJYSZSA-N 421.475 0.548 30 20 HCED N#CC(C#N)=c1sc(=Cc2cc(Br)ccc2Cl)c(=O)n1CC(N)=O 767891386 PIJHWYQSSISYQL-UHFFFAOYSA-N 423.679 0.838 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOC2(CCOCC2)C1 768589254 AHJWPPRHBCEGBO-CQSZACIVSA-N 407.492 0.960 30 20 HCED C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCO1 773219108 KSYFHZNQKKBKMW-IAGOWNOFSA-N 421.523 0.013 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 773443586 QHJSBLSVEWYCDK-UHFFFAOYSA-N 402.432 0.127 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C 774529442 JCFQNUVAVLWFHQ-UHFFFAOYSA-N 410.499 0.383 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 781599521 VEATTYZTFXELDU-UHFFFAOYSA-N 408.411 0.757 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782905356 INGCMIPFXOHKEA-CVEARBPZSA-N 420.487 0.832 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 784925246 WDLNIBAESFWEEN-AWEZNQCLSA-N 415.421 0.931 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(c2nccn2C)CC1)c1cc[nH]n1 793946245 GTJDGYFBNVZVCJ-UHFFFAOYSA-N 403.443 0.212 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 794637218 QUGDOCYNLPKURK-UHFFFAOYSA-N 402.546 0.347 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)C1=O 798664329 AACUJFKGJMDJJE-APWZRJJASA-N 408.476 0.772 30 20 HCED C#CCNc1nc(NC[C@@H](O)C2CCOCC2)nc(NC[C@@H](O)C2CCOCC2)n1 804466778 MDCXOGUWKLBCRP-IAGOWNOFSA-N 420.514 0.316 30 20 HCED COC(=O)N1CCC(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 804684369 WXTFZRRFAKAKOI-CYBMUJFWSA-N 408.480 0.820 30 20 HCED C[C@H](CC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 805272379 NPSRFOXQJFEFMA-CABCVRRESA-N 418.519 0.975 30 20 HCED CC[C@](C)(CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 821572618 KRODQIMIWXNCKY-AFDUHFSSSA-N 410.496 0.715 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccccc1CS(=O)(=O)NC(C)C 849055870 IDDCPZPQAFAOKV-UHFFFAOYSA-N 411.572 0.512 30 20 HCED Cn1c(=O)c2c(nc(Cl)n2C[C@@H](O)COc2ccc(CC#N)cc2)n(C)c1=O 875930477 UBYUMLQGYMHKKC-GFCCVEGCSA-N 403.826 0.593 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 916713279 UTWJPRDCHOEUPA-XEMYWUMJSA-N 414.509 0.808 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 916892540 MSNAZTKTGJAHSG-KRWDZBQOSA-N 407.492 0.875 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)c1 918287860 YZLFGGVHHHLANT-XSOQZJFOSA-N 408.480 0.421 30 20 HCED CNC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918476442 RVJCPOIHFXTEKK-PXLXIMEGSA-N 423.495 0.080 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 998014748 IUQRXDBBUHNGPY-ZVZLPEGASA-N 402.451 0.178 30 20 HCED C=CCn1cnnc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1115815873 XVUKOEBSOKGFCC-KBPBESRZSA-N 400.526 0.751 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4c(nnc4C(F)F)C3)CC2)o1 1118222884 JVCFIYCFYOFNLE-UHFFFAOYSA-N 406.397 0.548 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)N2CCOCC2)cn1 1298818651 MVQPUWHOBGUWRS-MRXNPFEDSA-N 400.487 0.518 30 20 HCED CCS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1314561338 VEXLZCVUEPJWAX-CZUORRHYSA-N 400.480 0.901 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1337238998 KMDPMPCCYGPYOQ-ZBFHGGJFSA-N 402.469 0.853 30 20 HCED COC(=O)c1coc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1469761098 UXZXFTCPPSWANF-SNVBAGLBSA-N 406.420 0.595 30 20 HCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1507786435 VRHWVEMVXXXQQF-LLVKDONJSA-N 420.333 0.661 30 20 HCED C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512522084 ZYFJALYAKYPYBO-VQHPVUNQSA-N 417.514 0.457 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1516598540 VNINCFDZVPBJRV-MRXNPFEDSA-N 422.555 0.958 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1(C(N)=O)CCOCC1 1555556964 LIEAGYAEGKDGFD-UHFFFAOYSA-N 416.486 0.327 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc3nccnc32)CC1 1559454207 PYKVETXHRSKCCG-UHFFFAOYSA-N 411.447 0.231 30 20 HCED 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C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840295357 KHAVREWYRAVPFE-IBGZPJMESA-N 414.524 0.071 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840842930 KFEFKASJMKFJIH-OAQYLSRUSA-N 416.478 0.408 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(C#N)cc2)C1 1841006361 UFPCAWRGTMUPLB-IBGZPJMESA-N 412.490 0.845 30 20 HCED CC(C)(C)OC(=O)N(CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C1CC1 1841141197 XETQOWMLCIUWID-UHFFFAOYSA-N 405.451 0.677 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)Cc2ccc(C#N)cc2)C3)CC1 1843972379 HTUWLKBPHZORJF-UHFFFAOYSA-N 423.517 0.468 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1847071931 NWFCRNSQTQDBFY-HUUCEWRRSA-N 406.483 0.241 30 20 HCED C[C@H]1[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCN1C(=O)OC(C)(C)C 1847167461 WQAOSSAEWSAVTR-GJZGRUSLSA-N 419.478 0.923 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCCc2ccccc2)cc1 17357703 FJQDHCGHKCTJLK-UHFFFAOYSA-N 400.460 0.312 30 20 HCED COCCCn1c(SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n[nH]c1=O 31917365 HKRPQWHYSRYCJE-UHFFFAOYSA-N 421.483 0.217 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1=O 51322844 DTWHUJYBUSEGJX-MRXNPFEDSA-N 411.462 0.571 30 20 HCED CN([C@@H](CO)c1cccc(Br)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 409484228 GMWFALDFBMXLGO-KBPBESRZSA-N 404.286 0.883 30 20 HCED CN(C)[C@H]1CCOc2c(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cccc21 434654201 OPIARBWINBPDKG-INIZCTEOSA-N 411.466 0.936 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC(=O)NC(N)=O)CC1 440361107 ZYOYWGRHLARLFC-UHFFFAOYSA-N 400.395 0.724 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(CCOC)C2)cc1 441996588 CEUXPIWZXCMQPP-INIZCTEOSA-N 424.523 0.269 30 20 HCED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)nc1 444508176 VDWWECBMMKNJKQ-OAHLLOKOSA-N 409.450 1.316 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 446522644 NSBGMLNKIUZENJ-GFCCVEGCSA-N 419.381 0.524 30 20 HCED C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465117997 CWPPUHKQXXIFON-CHWSQXEVSA-N 420.520 0.814 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465410375 WQLFUXNTHWLUGA-CYBMUJFWSA-N 405.418 0.904 30 20 HCED CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 477674771 NQINLTSUWPXNCQ-CQSZACIVSA-N 423.477 0.900 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cn([C@H]3CCOC3)nn2)CC1 478062881 RRAGMGRFHYSEHD-HNNXBMFYSA-N 416.463 0.258 30 20 HCED CN1CCN(c2cc(N3C[C@@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)ncn2)CC1=O 480416756 MRLRJZXGSVBAHY-SPLOXXLWSA-N 403.446 0.605 30 20 HCED CC(C)C(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480787005 ONIUIXDHSRXCMM-CQSZACIVSA-N 406.508 0.988 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 482485475 BHXDEVKDESMRMC-LRDDRELGSA-N 408.480 0.012 30 20 HCED CN(CC(=O)N[C@H](Cc1ccccc1)C(N)=O)S(=O)(=O)c1ccc(C#N)cc1 490428879 FEQKQSRCMOOIKN-QGZVFWFLSA-N 400.460 0.392 30 20 HCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(C#N)CC1 490464400 OKFJHDSBOOASEM-UHFFFAOYSA-N 407.496 0.704 30 20 HCED CSCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C)c1=O 502044569 DWWMYFAIMBDJCT-UHFFFAOYSA-N 417.560 0.522 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 503672198 RWNWATMTDWNQOF-UHFFFAOYSA-N 406.443 0.058 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2ncccc2C#N)c1 504717086 QAJLWJMIAKVHIW-ZFWWWQNUSA-N 403.468 0.978 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCNC(=O)[C@@H]2CC(=O)OC)cc1 505597439 QZWUDFBATNQQLG-KRWDZBQOSA-N 402.451 0.695 30 20 HCED Cc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 505805906 ZLTRTCFTXHFLQK-OAHLLOKOSA-N 415.475 0.428 30 20 HCED CCN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@@H](C)C#N 506062063 VCZHJGJPBQAREN-QFBILLFUSA-N 400.479 0.979 30 20 HCED CN1[C@H]2CCC[C@H]1CC(NC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 507852824 RLPDQXKZYRUKMC-SLFFLAALSA-N 423.517 0.907 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(C)C(C)(C)C1 508284104 JCKDFBMIJSBLDM-OAHLLOKOSA-N 407.540 0.367 30 20 HCED CN1CCC(N2CCC(CCN(C)C(=O)NCCn3cnc(C#N)n3)CC2)CC1 510503514 RXWIQZCYIMMCTO-UHFFFAOYSA-N 402.547 0.987 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC(C)(C)C#N 510636294 APTCICXKHQOLDK-UHFFFAOYSA-N 408.480 0.620 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCC(N)=O)nnc12 512458334 ZOFNADYDBVXYCA-UHFFFAOYSA-N 400.464 0.704 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CCN1Cc1ccccc1 513064686 NVFCNCQUOMCOOD-SFHVURJKSA-N 421.457 0.726 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513977742 YKADDGKBKDHCDX-FORMXFIPSA-N 402.476 0.024 30 20 HCED Cc1nc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)ccc1C#N 521136995 CBQYENLWWZNIIW-KRWDZBQOSA-N 406.508 0.613 30 20 HCED C=CCc1cc(CNC(=O)C(=O)Nc2cnn(CC(=O)NC)c2)cc(OC)c1OC 532997525 PQHMJWAGNWRQIQ-UHFFFAOYSA-N 415.450 0.630 30 20 HCED COC(=O)CN(C)C(=O)CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533020875 IFNCWZJYLPUSPB-UHFFFAOYSA-N 401.423 0.950 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 538546129 FXXAGKOAGAKUDW-ZDUSSCGKSA-N 410.496 0.261 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539181287 VAZMZFDCLSKXLQ-AWEZNQCLSA-N 417.514 0.507 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 543385739 JUSUMBJWTXMAMY-UHFFFAOYSA-N 411.418 0.725 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccnc2SCCC(=O)OC)C1=O 543420984 QMUJXLJTZWKCGO-UHFFFAOYSA-N 406.420 0.652 30 20 HCED C=CC[C@H](CO)CNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 543657379 PDTBZTFSAMECRI-ZDUSSCGKSA-N 403.439 0.873 30 20 HCED O=C(NCC#Cc1ccccc1)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 543929909 DCQSUYYAQOWKPL-UHFFFAOYSA-N 408.462 0.787 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)nc1 550253370 TVMDELCFOFAJSW-UHFFFAOYSA-N 407.386 0.605 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 550278051 SPVXQKZLOHNXML-SFHVURJKSA-N 414.510 0.075 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1=O 550614550 JCPGJUGGUACEBG-IRXDYDNUSA-N 418.494 0.323 30 20 HCED CN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 552968577 LYAUVGZUNKNENB-KRWDZBQOSA-N 404.492 0.648 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c1 559591628 VCSBTFUGWGJBIK-UHFFFAOYSA-N 420.878 0.923 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)ccn1 563485801 XOITYMXNSMENLY-HNNXBMFYSA-N 406.402 0.920 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 564750998 WPCRUMRCBMVOTH-LBPRGKRZSA-N 414.445 0.184 30 20 HCED COc1ccc(C[C@](C)(O)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1OC 566709338 JAOAWFCBDMMDJU-FQEVSTJZSA-N 415.450 0.862 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@H](CC(C)C)C3)CC2)c1C#N 571319233 RRFARLJVJQXKNB-IRXDYDNUSA-N 416.526 0.959 30 20 HCED CN1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC1=O 583582638 VWYHPUZFXIXIMN-GJZGRUSLSA-N 401.442 0.519 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCCC#N)CC2)cc1 588053399 JGVVTQBWGKVUGZ-UHFFFAOYSA-N 408.480 0.338 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 588208175 ANJZBFMEZDQNTI-LJQANCHMSA-N 423.517 0.720 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCc4ccnc(O)c4C3)C2=O)cc1 588864675 NRESBOFYNREZBD-GOSISDBHSA-N 419.441 0.855 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 588905504 HWTBCYWTFKVMCX-CQSZACIVSA-N 416.525 0.506 30 20 HCED C=CCN(CCC#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 590409217 QKURASUQXFTNIV-ZFWWWQNUSA-N 408.436 0.647 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)c1 603478679 AZSDYKITWIMOMQ-OAHLLOKOSA-N 401.510 0.305 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1C#N 607947669 LIQVZMRVFPZPNV-UHFFFAOYSA-N 410.455 0.004 30 20 HCED Cc1ccc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 609414407 GMHMWXANYPNCCW-HNNXBMFYSA-N 411.505 0.589 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)Cc2ccc(C#N)cc2)cc1 612046530 KNCBIBGZEHQUSS-UHFFFAOYSA-N 418.500 0.969 30 20 HCED COCCN(C(=O)CN1CC[C@@](F)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 615642938 JVSUHEQHAXNQMI-GOSISDBHSA-N 410.450 0.104 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1 730097487 AZMMRDMJJINEHG-QNGOZBTKSA-N 419.463 0.378 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730405257 FUGNCLGCPWDUPB-CYBMUJFWSA-N 405.885 0.831 30 20 HCED CN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O 733563553 BSQSSIZGSWQLSX-UHFFFAOYSA-N 418.431 0.791 30 20 HCED CCN(CC)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 735585957 PHPKPWBSTZTDKD-OQKWZONESA-N 423.539 0.896 30 20 HCED CCOC(=O)C(=O)N1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 735817085 CBOXZJPFZFTTCB-UHFFFAOYSA-N 403.435 0.960 30 20 HCED CNC(=O)c1cccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 740790002 RKDIKPIJFMZMJZ-UHFFFAOYSA-N 400.460 0.444 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(C[C@H]2CCCO2)CC1 745400337 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20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C)c(Cl)cc2OC)CC1 761033640 YQSCUGGXHHKUFP-UHFFFAOYSA-N 414.915 0.681 30 20 HCED NC(=O)COc1ccc(CNC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)cc1 761227442 RXVLSHZRFAQFJH-UHFFFAOYSA-N 410.382 0.491 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCSC 763466719 UFCKBXARSAKAMW-UHFFFAOYSA-N 420.560 0.267 30 20 HCED C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 783362833 IYWBGSYTXSAMHV-CQIAGOGUSA-N 410.496 0.714 30 20 HCED COc1cc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc(OC)c1OC 785486585 WJQCDVFXJJJJTO-UHFFFAOYSA-N 413.434 0.824 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787746726 HQGHSUKJTIWQEN-STQMWFEESA-N 404.448 0.719 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)n1 789794054 WHRWXBNNKKVEBJ-UHFFFAOYSA-N 422.449 0.796 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793501388 ZBMJZVHWQCQHPQ-QGZVFWFLSA-N 415.538 0.715 30 20 HCED C#CCC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 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401.452 0.738 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 542298638 NYZUPOBKFMDZMW-UHFFFAOYSA-N 424.479 0.016 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 547714444 KNDOKESTKJVHLP-UHFFFAOYSA-N 405.362 0.678 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccn2)CC1 549643968 AGJLKZJJPQFGCM-CQSZACIVSA-N 406.516 0.581 30 20 HCED C=CCCCN(C)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 550447016 QGGFOOSIUFCXCD-UHFFFAOYSA-N 409.508 0.748 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 551191962 KWGBLSDFKCSJSZ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C[C@]1(CNS(=O)(=O)c2ccc(C#N)o2)CCN(S(=O)(=O)c2ccc(C#N)o2)C1 553894141 AGLRIXIJHHVRME-MRXNPFEDSA-N 424.460 0.995 30 20 HCED C=CCCc1ccccc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 555041690 QOBBVURWGQYQPS-UHFFFAOYSA-N 411.462 1.438 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC1CCN(Cc2ccccc2)CC1 555625509 AUDKHYSJBXNOIW-UHFFFAOYSA-N 423.521 1.035 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 556331048 QVAOPAOXPMXMNQ-UHFFFAOYSA-N 419.510 0.970 30 20 HCED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561787802 WPQNUUQOWHAGBG-VFNWGFHPSA-N 415.469 0.767 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCS(=O)(=O)c2ccccc2)c1 565297592 ONCUTNKHYZAZCS-UHFFFAOYSA-N 421.500 0.817 30 20 HCED CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 565650386 QNHODOWSUUJWQJ-CYBMUJFWSA-N 409.450 0.841 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 568932248 BCWAMBSYVKZXOI-QGZVFWFLSA-N 404.492 0.613 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 571629968 YUEMTOFRJQDYSQ-HYDGNGQDSA-N 416.503 0.587 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)Nc3ccn(CCC(N)=O)n3)cc2)ccn1 572416257 ONQJAWFAROVLFI-UHFFFAOYSA-N 419.401 1.395 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCCCCn2cc(Br)cn2)CC1 588123573 BKLHSNFRGWNYBX-UHFFFAOYSA-N 411.304 0.646 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)NCCNS(=O)(=O)Cc1ccon1 588883998 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C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)CC1 735394122 IYWFTNVUZDQOFA-UHFFFAOYSA-N 414.462 0.811 30 20 HCED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737278407 ZKGLERAYDJLZFO-OBZJLHOISA-N 424.479 0.363 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 737306289 MWQKZAVVTSJEHO-WYMLVPIESA-N 418.278 0.963 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1OC 742641564 IUWXFYMMYUNIJI-OAHLLOKOSA-N 417.443 0.957 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)C)c2=O)cn1 743728975 UCYPDZCLQPAEKA-UHFFFAOYSA-N 415.519 0.190 30 20 HCED COC(=O)[C@@H](O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747519591 XDXHQNRCAUQUET-KRWDZBQOSA-N 423.491 0.278 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 747972671 FFMOTCHLHBBCHS-UHFFFAOYSA-N 400.435 0.583 30 20 HCED Cc1c(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748414891 AUGDSSCJHRATTM-HNNXBMFYSA-N 407.386 0.196 30 20 HCED CC(C)CNC(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748751416 WOTPJZGURLTMEN-CYBMUJFWSA-N 410.521 0.399 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCc2nc(-c3nc[nH]n3)no2)C1 757587775 LJWKMYKZPAVIHY-WDEREUQCSA-N 402.415 0.663 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nnc(-c3sccc3C)o2)CC1 761030685 JNIAYYVXJKOFGC-UHFFFAOYSA-N 424.508 0.130 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 761033192 UDOBVPAQLDSEHP-CVEARBPZSA-N 410.565 0.885 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCOc2ccc(C(=O)OC)cc2Cl)CC1 761036130 DGRYECVXFQIXAY-UHFFFAOYSA-N 415.899 0.591 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(=O)O)CC1 767188188 QMASYQCQDRXLGN-CQSZACIVSA-N 423.491 0.578 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677516 SHEFYUJCNMIUGY-ZIAGYGMSSA-N 406.464 0.776 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)C1=O 769844698 FIWXGVAMKWIYOL-CQSZACIVSA-N 421.406 0.446 30 20 HCED C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 770801676 LLGWLXCCAQEYCQ-SGSSJMGGSA-N 422.507 0.881 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(Cl)c1O 771896656 FYUAWWARHVJGAD-UHFFFAOYSA-N 421.262 0.799 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1)c1cc[nH]n1 772231559 VDCAQSODGGGYAI-CYBMUJFWSA-N 415.454 0.637 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCCC)c2=O)cn1 772280175 ZCJGVAHYLFTJHL-UHFFFAOYSA-N 415.519 0.663 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1NS(C)(=O)=O 774094190 IPWWEJGAARTJJS-UHFFFAOYSA-N 416.463 0.800 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 774619481 BIAFZKWOZTUYGO-LSDHHAIUSA-N 403.449 0.774 30 20 HCED C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCO1 775337746 CIQIWYDTSDUIEL-IWCQGFGOSA-N 412.895 0.761 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 783012721 XBOJOHZOAFLSSA-UHFFFAOYSA-N 414.572 0.706 30 20 HCED CCO[C@@H](C)c1noc(CN(C)C(=O)C(=O)NCCNc2ncccc2C#N)n1 787787420 KGMKGJYMPSCEJP-LBPRGKRZSA-N 401.427 0.620 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OC[C@H]1CCS(=O)(=O)C1 788881716 LFEVYRKJNHGPLC-GFCCVEGCSA-N 400.478 0.483 30 20 HCED N#CCn1c(CN2CCC[C@H](N3CCCS3(=O)=O)C2)nc2ccccc2c1=O 789372934 CRWTUGJJFOGTMT-HNNXBMFYSA-N 401.492 0.920 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3cccc(F)c3F)o2)c(=O)n(C)c1=O 790171796 IELCHOKBVRBNBE-UHFFFAOYSA-N 424.385 0.935 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 807385687 PAGGWTGILQRGRQ-UHFFFAOYSA-N 402.382 0.413 30 20 HCED CC(C)[C@@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 807451546 OWPLOTIBZDEZFP-CHOFAJOMSA-N 424.523 0.819 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1=O 809246456 RJUVCQVUFMZMKG-JYJNAYRXSA-N 422.526 0.993 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(O)C2=O)CC1 816753359 GVNGGJOYBQFDLV-ZDUSSCGKSA-N 400.457 0.189 30 20 HCED CC(C)CNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 881447690 IJBVUPRYNLZXRH-UHFFFAOYSA-N 406.508 0.736 30 20 HCED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 915386550 NMPYVOHYXUMLON-UHFFFAOYSA-N 415.468 0.459 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CS(=O)(=O)c1cccc(Br)c1 915570782 QACZTFMHAUMAAH-UHFFFAOYSA-N 419.253 0.778 30 20 HCED C#CCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1115816243 OFJKEEAJCLCAMK-CYBMUJFWSA-N 401.282 0.732 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C(C)(C)C1 1296986918 RTYQCJMPPLCQHJ-ZDUSSCGKSA-N 405.455 0.972 30 20 HCED C[C@H](CC(=O)N1CCN[C@H](c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1302045715 JIMCJZUXXGKQQF-CJNGLKHVSA-N 416.507 0.410 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1321260045 VZFLKBDVOAWUFK-CYBMUJFWSA-N 408.546 0.028 30 20 HCED Cn1cnnc1CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1327066250 JQFYGCUIKJUOHR-UHFFFAOYSA-N 416.507 0.836 30 20 HCED COc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)N(C)C 1327443215 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C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)C1=O 465353629 DRQVITFCQNCHLY-FZMZJTMJSA-N 414.418 0.950 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(OCC(=O)OC)cc2)C1=O 468991620 MYCHJINBESKOCN-GFCCVEGCSA-N 403.391 0.392 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)c1C#N 472889750 SMOSBJZXXBAEIX-UHFFFAOYSA-N 403.446 0.710 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 475473890 WINYZNUKCSIPSB-UHFFFAOYSA-N 411.480 0.355 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(Cl)cc2-n2cncn2)c1=O 475943067 VAAZHXJGTDORRV-UHFFFAOYSA-N 400.826 0.826 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(CCN(C)C)CC1 482160478 AOPZNVSSIORFRM-MRXNPFEDSA-N 421.567 0.615 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N(C)C)cc1 484211485 SAHYFPYCDAJSFK-MRXNPFEDSA-N 422.507 0.511 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 491031351 DUPKYPSTQRDKIY-UHFFFAOYSA-N 413.478 0.754 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)cn2)CC1 497487812 AFCNYUQESMMFJN-AWEZNQCLSA-N 414.491 0.750 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1=O 499105176 ZWAPBZHLFIGIHL-INIZCTEOSA-N 418.425 0.292 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(C#N)ccc1F 500794539 SWMOCNQQHAAESN-CQSZACIVSA-N 417.484 0.152 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 503511701 YXGKZWJLFPQYMW-LLVKDONJSA-N 405.885 0.183 30 20 HCED CC(C)[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)N1CCCS1(=O)=O 505165261 WRCVWCULBSPRNJ-HOCLYGCPSA-N 406.512 0.445 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 505755886 WWMDJRCEYHTQKW-HOCLYGCPSA-N 402.480 0.755 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508646699 GLUCVYZKABMEHE-DLBZAZTESA-N 419.507 0.777 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(CC(=O)OC)CC1 508800010 CSBNSCXQXJIOGY-UHFFFAOYSA-N 419.507 0.830 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)NCC(=O)NCC#N)sc2c1CCSC2 508968013 JQOHLJUNZNDAMO-UHFFFAOYSA-N 410.477 0.409 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 509017520 RWNUBHKHADNLMA-UHFFFAOYSA-N 420.491 0.629 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)n1 510150577 WTSUFODXHDJDJY-RDJZCZTQSA-N 405.524 0.876 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 511755808 SRMWOWHMTMWABL-AWEZNQCLSA-N 420.491 0.826 30 20 HCED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 511908888 FSKPBLQOQXCXQI-UHFFFAOYSA-N 405.889 0.057 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccccc1S(N)(=O)=O 513340977 PAPNBNRYBDEZHS-CYBMUJFWSA-N 415.479 0.416 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(F)c2)c1=O 523477624 JRRSXJVMCSFDKZ-UHFFFAOYSA-N 419.478 0.351 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)CC2)o1 530288266 DWHDZOMQEZCRNR-GOSISDBHSA-N 414.510 0.836 30 20 HCED C[C@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 532642473 KWKXVBWTHIHSDG-CQSZACIVSA-N 400.464 0.682 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)CC2 543001676 SVYDTSMOHKIUAI-UHFFFAOYSA-N 421.392 0.500 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 550567154 LYEOWILYJOBGMO-UHFFFAOYSA-N 401.511 0.691 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CC(C)(C)C#N 551847406 CUDZXQGTFVZMPC-UHFFFAOYSA-N 422.507 0.963 30 20 HCED N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)ccc1Br 563553859 PGPIKPNSJQSDDL-ZDUSSCGKSA-N 409.240 0.359 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCn2ccc3ccccc32)CC1 569750456 YCTFRICQYHEKDN-UHFFFAOYSA-N 411.506 0.594 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 570437368 UZXAMTYGXZHOEG-NSHDSACASA-N 401.872 0.872 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)c1C#N 577985915 QFAURIZVDFBHNP-OIISXLGYSA-N 412.494 0.323 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H](O)COc2ccc(F)cc2)n1 583536128 VYABYQVRMHHNBM-AWEZNQCLSA-N 424.392 0.773 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCCC[C@H]3N3CCOCC3)CC2)o1 584330236 FTQABZMXTDLOPK-IEBWSBKVSA-N 416.526 0.736 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3n[nH]c(C)c3C#N)CC2)c1 588716017 HEUDSTLWOIQEMD-UHFFFAOYSA-N 402.480 0.989 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(N)=O 604881833 LQRDFINDOGTACA-GFCCVEGCSA-N 401.463 0.961 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCc1cccnc1 609038225 JPOSBWYKKRCVNX-UHFFFAOYSA-N 420.494 0.805 30 20 HCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615635395 WIWDCVUDYTUHKB-KRWDZBQOSA-N 410.427 0.539 30 20 HCED CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 616004186 FTTINHJMCBAPTQ-UHFFFAOYSA-N 423.477 0.870 30 20 HCED COC(=O)C1(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CCCCC1 727010451 ZJBDFTAWQZNGMR-UHFFFAOYSA-N 401.419 0.823 30 20 HCED CS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730405259 FUGNCLGCPWDUPB-ZDUSSCGKSA-N 405.885 0.831 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CNS(=O)(=O)CC)cc2)CC1 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CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCOC)c2=O)o1 760376706 FCXSFPOXLWVHSD-UHFFFAOYSA-N 419.503 0.367 30 20 HCED C#CCN(CC)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 764513341 HZYWPJUCPHCLSW-HKBKRHGFSA-N 412.533 0.862 30 20 HCED CCOC(=O)N[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 764892225 YOXGHVJZSGNDDW-ZFWWWQNUSA-N 408.480 0.962 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1Cc1ccon1 765145166 GKFLDSQVPYIYCV-UHFFFAOYSA-N 415.500 0.740 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 765526817 OIDRHUWOJMZDHY-QAPCUYQASA-N 420.535 0.985 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(COc3ccccc3F)on2)CC1 767078099 LIPWOGMAUPLIDV-UHFFFAOYSA-N 400.410 0.900 30 20 HCED C#CCSCCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 768368195 JSVOGIJTEGZHRF-UHFFFAOYSA-N 411.505 0.496 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CC3(CCC3)Oc3ccccc32)c(=O)n(C)c1=O 771891215 SWIUUNSITFFKRK-UHFFFAOYSA-N 404.448 0.472 30 20 HCED C=CCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 772717810 IXNCGJOACWLEBQ-GFCCVEGCSA-N 417.465 0.628 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 773230559 UZRFWUCYACESQN-UHFFFAOYSA-N 407.430 0.480 30 20 HCED C#CCCN1CCN(C(=O)[C@H]2C[C@H](C)C[C@H]2C(=O)N2CCN(CCC#C)CC2)CC1 775825908 HLDUVYQOJZTTMI-DKUWSORSSA-N 412.578 0.984 30 20 HCED Cc1c(C#N)c(NC(=O)COC(=O)C[C@@H]2NC(=O)NC2=O)n(Cc2ccco2)c1C 779102642 AFAXHCHKVZXAAA-AWEZNQCLSA-N 413.390 0.698 30 20 HCED CO[C@@H](C)CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 782432938 MUIOLBYOONOZPY-HNNXBMFYSA-N 423.491 0.749 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784555318 MBWLSKYTGNSOGQ-ZIAGYGMSSA-N 421.450 0.943 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785816948 WWIRAQZPRJGNSC-AWEZNQCLSA-N 406.508 0.437 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCCNc1nccc(C(F)(F)F)n1 786983417 YPXKIRZNBMQLDX-UHFFFAOYSA-N 422.371 0.518 30 20 HCED COC(=O)c1cc(C(=O)OC)n(CN2CCN(c3c(C#N)c(C)nn3C)CC2)n1 788044866 QSFMYCGVZGNGFT-UHFFFAOYSA-N 401.427 0.150 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(CC(=O)OC)CCOCC2)cc1 791210291 OKAYPNBQDCNOSL-UHFFFAOYSA-N 408.476 0.688 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1cnn(CC#N)c1)C2 793094134 XICYXMUECSDSHL-UHFFFAOYSA-N 416.463 0.180 30 20 HCED C#CCC[C@@H](O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 799072218 DUCAXLZEHXBQIV-HUUCEWRRSA-N 406.460 0.514 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 799272520 FRPOOWJNQUAZRB-OAHLLOKOSA-N 411.455 0.559 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)CN1CCCC1 808223017 JFVVLEYTDPMNKX-INIZCTEOSA-N 422.551 0.858 30 20 HCED CC#CCS(=O)(=O)NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 810778968 SRTWXJHJDXKGGY-UHFFFAOYSA-N 407.448 0.663 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCOc2ccccc2)cc1 811833347 YOFRDJXBWAERDC-UHFFFAOYSA-N 416.455 0.950 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)C2=O)cc1 815265868 WTCGIEOIVIJIFK-ZBFHGGJFSA-N 406.464 0.512 30 20 HCED 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N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(Cl)c4)C3)C2)CC1 1835341410 ZYYGSIBIMHMYJJ-LJQANCHMSA-N 420.853 0.814 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675005 IJXJILJTSJOJEI-OXJNMPFZSA-N 410.515 0.007 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(N)s4)CCO3)C2)CCC1 1835848895 DVXDGPRJBWIBPK-GOSISDBHSA-N 405.480 0.489 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)CC3)CC2)c1 1836170805 LNBWLZDUNDHCFG-RUYXUALKSA-N 411.506 0.964 30 20 HCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1F 1836235543 LTIBUFYAZIKTNI-IBGZPJMESA-N 406.414 0.603 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Nc2cnccn2)CCO3)C1 1837475907 KZKIWDIPDHVHFZ-IIBYNOLFSA-N 415.494 0.700 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)c3C)CCO2)C1 1838380514 QADPPHKIPCCMOV-AVRDEDQJSA-N 417.506 0.750 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)nc3sccn13)CCO2 1838417627 OVZKBJKOUNSHCV-IBGZPJMESA-N 418.475 0.402 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)c4c[nH]c(=O)cn4)CC3)CC2)c1 1838538962 YZROGPNCEJNZLQ-UHFFFAOYSA-N 424.461 0.896 30 20 HCED Cn1ccnc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949935 FBKOYYZIWDZADF-OAQYLSRUSA-N 409.446 0.676 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839103950 ZGZIBPDGPZJCEI-IPJJNNNSSA-N 422.570 0.291 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1839222243 IAUAJECPQNZDMC-UWVAXJGDSA-N 411.499 0.813 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839223078 LDDCJPCHILNRBP-AUUYWEPGSA-N 423.470 0.178 30 20 HCED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)COC1 1839228189 VHTPIYYUOYILKP-OXQOHEQNSA-N 411.499 0.670 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn(C)n4)C3)C2)c1 1839451921 WWDNBVWEKDPJBK-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1839807057 RYCMVKNDNMGHLW-OAQYLSRUSA-N 400.431 0.438 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1839809133 REXUFBDFHUPYQR-SZNDQCEHSA-N 413.430 0.109 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)(C1)C2 1840005353 WCAFGGXBMXESGR-XVAXZDLZSA-N 417.462 0.090 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840161164 GLCFASMBMWAULO-ORAYPTAESA-N 404.492 0.951 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840164451 KATDJHHYCIFXTE-XAUMDUMWSA-N 408.520 0.365 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840168771 RAVXKZHIZXMFLM-FNNTWHHHSA-N 404.511 0.718 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840174193 NWPNVVGIOBGITI-GOSISDBHSA-N 403.464 0.732 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)CCC1 1840812860 PLPXHNUMSMNRMW-HXUWFJFHSA-N 401.419 0.404 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840840166 CJLQUWXDWFTIFX-OAQYLSRUSA-N 400.479 0.631 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)Cc2ccc3ncnn3c2)C1 1845028721 WDYZFLDKYOHUMD-UHFFFAOYSA-N 411.462 0.985 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1847262900 MBUQZTLVBKBAIJ-WZQADMAKSA-N 421.347 0.402 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OC 32770763 CDKXPFPYKNMXRL-MRXNPFEDSA-N 419.482 0.315 30 20 HCED COC(=O)c1ccc2[nH]c3c(c2c1)CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)CC3 409566664 BECAOAXGCUYATG-ZDUSSCGKSA-N 404.448 0.782 30 20 HCED CCOC(=O)c1ccn(-c2cccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)c2)n1 410421537 SNNTUBDANOOFLV-INIZCTEOSA-N 419.463 0.608 30 20 HCED CCCN(CC(N)=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 429126224 HUGBXFAPSPVQNF-UHFFFAOYSA-N 400.439 0.652 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1)C1CC1 435028586 JBZOHULPYKIMAT-UHFFFAOYSA-N 411.480 0.735 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)NCC)c2)C1=O 440266266 LZSMHHZSNKZCAA-MRXNPFEDSA-N 402.451 0.385 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)nc1 441946525 BZIXZZAYVWOCIZ-HNNXBMFYSA-N 412.515 0.677 30 20 HCED CN1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443467392 LGUJICVYOFFWTD-UHFFFAOYSA-N 415.313 0.763 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cn1 462379952 IYMKJONNEHATAV-UHFFFAOYSA-N 401.408 0.496 30 20 HCED N#CCN1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 465139505 KUSPCIINNWRPQY-UHFFFAOYSA-N 422.507 0.574 30 20 HCED CCCN1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1=O 472535170 TYWYZOBOEZFJFH-UHFFFAOYSA-N 409.450 0.857 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 473467785 AREHEZGQAKVXMC-MRXNPFEDSA-N 401.511 0.683 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc(OC)c1OC 480155057 SQXNDEJLVHZZSS-UHFFFAOYSA-N 415.471 0.254 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C#N)s2)c1=O 482553140 GEPNCBDAMAFLLL-UHFFFAOYSA-N 416.528 0.909 30 20 HCED CS(=O)(=O)Nc1cncc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486013886 DZLYUPMCHUQWOJ-QGZVFWFLSA-N 413.459 0.856 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCCN3CCN(C)CC3)CC2)o1 492938147 XHTAUCDSEULFSB-UHFFFAOYSA-N 403.531 0.073 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCn3ccnn3)CC2)c(Cl)c1 500269241 ZPJJCSYOBWRIKQ-UHFFFAOYSA-N 401.858 0.658 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500843232 USVSHKTVLZQZIE-MRXNPFEDSA-N 423.491 0.599 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 504730878 DHJDSIWYOKMQEW-OAHLLOKOSA-N 424.454 0.289 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)nn1-c1cccc(C#N)c1 505735651 GZLICEAQUOSKHJ-UHFFFAOYSA-N 408.462 0.861 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 524032535 UXTCFNCGNAWXOI-UHFFFAOYSA-N 400.468 0.938 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCn3cncn3)CC2)cc1 524825077 VSDOLHUEQNNMMC-UHFFFAOYSA-N 404.496 0.200 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)n2)cc1 531167682 QSQPXXHEXWTJBR-AWEZNQCLSA-N 421.383 0.889 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3)c2=O)n1 532419260 LOHBCANWJQNFKG-UHFFFAOYSA-N 406.467 0.942 30 20 HCED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 538101738 BDDHMBJGGIPJLN-ZDUSSCGKSA-N 410.500 0.377 30 20 HCED CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 542583837 APYFPKJDRMALGV-UHFFFAOYSA-N 404.492 0.650 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 546003776 ZXUXYDAUEDEUKY-UHFFFAOYSA-N 416.459 0.909 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 552106963 XHNYQKZBXKQVLL-UHFFFAOYSA-N 401.510 0.292 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)nn1CCC#N 555283052 RVUHMPGZNXPRGH-MRXNPFEDSA-N 409.450 1.466 30 20 HCED CN(CC(=O)Nc1cccc(C(=O)NC(N)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 558952467 ITIVBHWEYTXYKL-UHFFFAOYSA-N 415.431 0.626 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 559560071 BTFIWLYTSHASRI-HKUYNNGSSA-N 401.511 0.547 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCO1 561703306 ACRGRFDASNGSRH-OKZBNKHCSA-N 414.462 0.480 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)C2=O)cc1 565098805 QTWBUBVXOKRNAF-UWJYYQICSA-N 412.446 0.188 30 20 HCED N#Cc1nc(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)[nH]c1C#N 566613557 ZPPYUMGQWIUPPG-UHFFFAOYSA-N 415.254 0.894 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2)n1 567088936 BZXMXCNFDLFRBD-GOSISDBHSA-N 415.413 0.777 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C 567242705 OKPGZNVUYBPEFG-ZFWWWQNUSA-N 422.507 0.922 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)CCN1Cc1ccccc1 568317942 PWWJPEGVLKRFKL-NNMXDRDESA-N 412.490 0.677 30 20 HCED N#Cc1cccc(-n2ccc(-c3nc(CC(=O)N4CCS(=O)(=O)CC4)no3)n2)c1 571803686 MKGRIFLEEOOLTL-UHFFFAOYSA-N 412.431 0.593 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1F 580502235 KSUNSIMPMUSHBQ-UHFFFAOYSA-N 424.436 0.886 30 20 HCED COc1cc([C@H](C)NC(=O)C(=O)NC2CCN(CC#N)CC2)cc(OC)c1OC 585720591 QWVVYKGNSFCCMN-ZDUSSCGKSA-N 404.467 0.994 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1cccc(C#N)c1 587690531 UQMJWMQLDFFURP-IAGOWNOFSA-N 411.506 0.891 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](c4cc[nH]n4)C3)C2=O)cc1 588868780 RWLYDHDDBGYQMH-MJGOQNOKSA-N 420.473 0.905 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1OC 589477752 IQGKKXGRKCNRPV-INIZCTEOSA-N 424.523 0.674 30 20 HCED COC(=O)[C@@H](C)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603850202 GTDSBQWOKORFBE-HNNXBMFYSA-N 422.507 0.132 30 20 HCED Cn1c(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)cc(=O)n(C)c1=O 603935794 PODZKGABVOFMSA-INIZCTEOSA-N 418.475 0.326 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 604526741 JQTISLZPSFLJSJ-UHFFFAOYSA-N 409.446 0.569 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 606037185 VFIDDDBPAXTIJX-HNNXBMFYSA-N 423.495 0.473 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)c1 609437985 SSCWNEVVYRUFSI-UHFFFAOYSA-N 419.445 0.984 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2ncn3nccc3c2=O)cc1 732862865 JUISBDAXVMNDIW-UHFFFAOYSA-N 424.417 0.780 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733171700 ZGWZCYLMMYDMOD-INIZCTEOSA-N 421.567 0.505 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(c2ccc(F)cc2)CC1 733889476 XOWUMOHVBAHJJB-QZQOTICOSA-N 415.469 0.980 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)CC1 735922840 KHACWJAKDJZPBM-UHFFFAOYSA-N 423.535 0.466 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741431973 VWLLMZDYQZDYQS-HNNXBMFYSA-N 424.475 0.873 30 20 HCED N#C[C@H]1COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 748342702 PVAWBTFJUWSLOV-KBPBESRZSA-N 405.432 0.375 30 20 HCED O=C(NCC1CC1)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748752341 ASDHLDWTDPRCKQ-ZDUSSCGKSA-N 408.505 0.153 30 20 HCED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 750970160 VTQGBWMAMDALRA-LJQANCHMSA-N 421.421 0.085 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@H](C)C(=O)NC)C1=O 751924842 OKMVKTGUULLGEY-QMTHXVAHSA-N 405.480 0.847 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O 756889021 YUCANGHNEKKMRZ-GDBMZVCRSA-N 408.466 0.168 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)o2)c1=O 758049940 LILOSNSTOMRQTR-UHFFFAOYSA-N 410.499 0.112 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758367153 XXUCRVXCNAENMV-STQMWFEESA-N 417.532 0.763 30 20 HCED C[C@@H](CC(=O)NCc1nnc(C2CC2)n1C)/N=C1/NS(=O)(=O)c2ccccc21 758544329 LZMMWVHUBRUIRS-NSHDSACASA-N 402.480 0.826 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 758988708 BZLHVYQKXNOLHA-KRWDZBQOSA-N 406.527 0.917 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3OC)c2CC)CC1 769568923 ADYCABWFALFKKF-UHFFFAOYSA-N 409.490 0.951 30 20 HCED C#C[C@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 769962127 YBSXIWJXVHJVRV-HNNXBMFYSA-N 409.508 0.490 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(OC)c(-n2cnnn2)c1)c1cc[nH]n1 772301574 NJUZQCAPTFFDAW-UHFFFAOYSA-N 414.382 0.317 30 20 HCED C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCCO1 775322679 FKDDCAQBMSLRAZ-JKSUJKDBSA-N 408.476 0.813 30 20 HCED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 779369668 XGELDPXSKZIKFK-PAGUQTEISA-N 412.490 0.998 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 783012811 XTHNYOIKPGKCNB-ZIAGYGMSSA-N 405.517 0.911 30 20 HCED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 784850431 WADHPLCAUBCZFN-KBPBESRZSA-N 421.475 0.337 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OC(C)C)c2)CC1 786823619 MTHQSWOFHHPBGZ-UHFFFAOYSA-N 402.495 0.536 30 20 HCED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)Cn3cnc(C#N)n3)cn2)CC1 787335186 GJVCPGVCBHMULK-UHFFFAOYSA-N 413.442 0.636 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 788437616 UZFVFTDRIKPGJV-UHFFFAOYSA-N 421.435 0.356 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCOC)c2=O)cn1 794580916 FVBFNNQOPVKGHB-OAHLLOKOSA-N 414.487 0.352 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)NCCNc2ncccc2C#N)cc1C 795080524 LLSUXFHPGPEWPC-UHFFFAOYSA-N 409.493 0.560 30 20 HCED CCN(CC(=O)N1CCCCCC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804744824 SQGFKGDYOVXUKT-UHFFFAOYSA-N 406.508 0.976 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)Cc2c(C)noc2C)n1 807308139 PRGUADGBTXDPOD-AWEZNQCLSA-N 401.467 0.844 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C(=O)Nc1cnn(CC#N)c1 807389333 GLZDMDUMFDZXHD-UHFFFAOYSA-N 424.870 0.402 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(N)=O)cc1C 808132939 SPQHWTZZCLKKPO-UHFFFAOYSA-N 421.482 0.131 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 814544857 ORTIUMPGDYGRRR-IOASZLSFSA-N 412.464 0.513 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 815861162 UDBHFGWTQJDEDE-UHFFFAOYSA-N 420.535 0.754 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nnc(S)n1C 818206166 MMVISFIHMNKSOO-LLVKDONJSA-N 408.509 0.391 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)c2)c1=O 916199474 HCFURYHQGZLMKD-UHFFFAOYSA-N 413.499 0.690 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3cccc(C#N)c3)CC2)C[C@H](C)O1 917097268 JZADVBYLWQVCKA-HOTGVXAUSA-N 422.507 0.435 30 20 HCED CN1C(=O)COc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c21 1132994231 IOEXPFPEKJXCAU-UHFFFAOYSA-N 400.416 0.719 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)nc1-c1cnn(C)c1 1156926490 PTDSIKGLAKJNBB-LBPRGKRZSA-N 413.463 0.998 30 20 HCED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1212365506 XOWRHTFKVGJSEI-LLVKDONJSA-N 408.299 0.633 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1224127662 RKALGXJUPNJEJL-SSHXOBKSSA-N 408.480 0.754 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1287475728 YXABNNQHXJUXBK-INIZCTEOSA-N 409.560 0.545 30 20 HCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNc1ccccc1S(N)(=O)=O 1320866264 UDRCSSZNPXVQAA-ZDUSSCGKSA-N 411.509 0.953 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1510116929 SUSZTHOWQIMJER-KUHUBIRLSA-N 419.507 0.837 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cn1 1618401122 UNBLYXYPTKSBLA-AWEZNQCLSA-N 405.484 0.232 30 20 HCED C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1627858198 RXRKGCICTZAXTG-ONGXEEELSA-N 401.345 0.269 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1651530395 RALUTNYJICYSGR-CQSZACIVSA-N 408.480 0.962 30 20 HCED CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1690904468 NXXIKGPVMZJFBM-INIZCTEOSA-N 406.454 0.493 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1695499760 LONUNOZFDOSWDC-INIZCTEOSA-N 416.507 0.918 30 20 HCED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1730470132 OBASWNUFRITEQP-SJORKVTESA-N 411.466 0.692 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1779103532 WLWYZYBDMNKQNG-VPCWJJEPSA-N 419.438 0.155 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCC3)C1 1779125055 VLQMHSCBIYIWIH-OXQOHEQNSA-N 400.435 0.045 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@]2(C)CCCN2)C1 1780669313 AQOFBWUYYHKSCQ-ZPMCFJSWSA-N 419.570 0.924 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781110235 NAFIMDHDUJOQHX-WIYYLYMNSA-N 404.555 0.809 30 20 HCED CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1781795817 HXAHLIHLLFZWOX-YLJYHZDGSA-N 401.467 0.540 30 20 HCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2)n1cnnn1 1782603229 DDFYDHCCHFEKDL-URKNILKWSA-N 412.454 0.262 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1783047777 HOMNNXUWBCBTNO-QFIPXVFZSA-N 424.432 0.507 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C[C@@H]21 1784482421 BPIKKXSBKYAQQE-XYLPPVNFSA-N 418.490 0.348 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN(CC)CC)C[C@@H]21 1784482473 CROBMUURTAOKNY-HVTWWXFQSA-N 407.555 0.982 30 20 HCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]3C2)n(C)n1 1784531234 GSPHYJWERVMQIL-GZIXRCOHSA-N 410.540 0.976 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1785379984 KBKCNEYQUDNMQH-NRFANRHFSA-N 407.430 0.871 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C)CCO2)C1 1785575146 YYRTYDIGRLLIKB-HRAATJIYSA-N 422.526 0.295 30 20 HCED CC(C)n1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cc1C(=O)O 1785716328 NZEDLUXAHMVABW-XEZPLFJOSA-N 403.439 0.669 30 20 HCED C[C@H](S)C(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788410011 CIECVCAUMORGFR-JTQLQIEISA-N 413.463 0.879 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc(O)n5c4CCCC5)[C@H]3C2)CC1 1788789882 YQQBDWWORBAZKK-DZKIICNBSA-N 413.478 0.822 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342810 OHAVVXTYOFFEFH-KBJFVVOBSA-N 411.462 0.338 30 20 HCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C=CCN4)C[C@@H]32)c(C#N)c1 1789841747 DGMAOJCKGVOGGH-FIRPJDEBSA-N 424.501 0.617 30 20 HCED CN(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790327797 HZAZDYUAXIQVLN-IEZWGBDMSA-N 424.505 0.980 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@@H]1CCCCO1)C2 1792484145 CDKFFVMRDSVGQT-MDSDDNRGSA-N 405.495 0.394 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793256963 IILDUXIEYQEXKB-ZMMAXQRCSA-N 417.506 0.999 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796955270 WOQOTCUFICXVSF-XJFOESAGSA-N 404.496 0.282 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1797713072 DTXZSPNCKAHJLH-OPDFLTKYSA-N 422.400 0.255 30 20 HCED Cc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797739816 GMZCEAOLODUISM-DDZVEQRCSA-N 413.522 0.994 30 20 HCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1797838030 QKYSGLXHQTUZFD-MBTWDSIQSA-N 422.445 0.873 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1800231832 ZYYHRJGSDAHBRI-GVRJEKJASA-N 413.471 0.939 30 20 HCED COc1c(Cl)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778565 HZMMHHHLCFTBSI-DPIQGUFMSA-N 406.822 0.640 30 20 HCED Cc1cc(C)n2ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H](C)S)c2n1 1800985790 OZIPOVGAVQBYEF-HGTKMLMNSA-N 403.508 0.868 30 20 HCED CS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1801531448 JZSYFJCFRQVKMT-ALXJQNPVSA-N 405.476 0.196 30 20 HCED CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1802089571 DZNVWVOKMPRWHJ-JONQDZQNSA-N 411.499 0.966 30 20 HCED COC(=O)NCC(=O)N1CCC2(CCCN(C(=O)C(C)(C)NCCC#N)C2)CC1 1809777026 CJWFRPJRBIAHIG-UHFFFAOYSA-N 407.515 0.855 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC3(CCCN(C(=O)CC[C@@H](N)C(N)=O)C3)CC2)c1 1809828001 YPLNPBQFXUAKLY-OAHLLOKOSA-N 400.483 0.324 30 20 HCED Cn1cccc1C(=O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812882131 ISZSXXKUQWDKMP-KXBFYZLASA-N 408.414 0.397 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCC(=O)NC2)n[nH]1 1814517675 GGBANXKZEFEUTG-IJEWVQPXSA-N 401.467 0.966 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](C)CC(N)=O)n[nH]1 1815291297 IQHLRIVJLYYGDI-JVCLFCCPSA-N 416.482 0.772 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(C)=O)n[nH]1 1821940379 YPPMKVXXLBFFRZ-LZNQSLFOSA-N 402.455 0.396 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2nc3ccccn3n2)[nH]n1 1822200108 HUSZXZBPDMVNIW-CYBMUJFWSA-N 407.390 0.846 30 20 HCED COc1ccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC(=O)O)CC2)nn1 1829526296 IQLKRFIVRNLPJG-MRXNPFEDSA-N 400.435 0.807 30 20 HCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)(C1)C2 1831221546 RGPPYXJMWXKWKQ-LZBANZJXSA-N 416.474 0.200 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1831397161 VAWYPFGZMRRYBU-HGHGUNKESA-N 424.494 0.069 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1831491440 COGYFMFITPQSOU-KSSFIOAISA-N 410.496 0.207 30 20 HCED C[C@@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831844156 ZXQUVTIAQXDVKX-RISCZKNCSA-N 419.511 0.364 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1832452022 PNYJISNYFWBTJC-KRWDZBQOSA-N 412.537 0.715 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832523455 QEYQWACUWCNJBX-QAVIERHMSA-N 400.541 0.560 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1833147164 QNXULADSPFIHBB-UHFFFAOYSA-N 416.482 0.623 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833518777 NSCKYUOGRIXUOS-JKSUJKDBSA-N 408.543 0.661 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccn(C)n3)CC2)CC1 1834215567 TYJBUVLMFWJGDM-MRXNPFEDSA-N 401.511 0.644 30 20 HCED CC(C)N[C@@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(C)C 1834787813 MNYZGJTXHULWDW-OAQYLSRUSA-N 420.554 0.669 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835097362 XQCXIZKOUCWXPN-REWPJTCUSA-N 414.502 0.902 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836064427 OWQAUSRMDBQVNB-GOSISDBHSA-N 412.437 0.630 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1837301879 OVLZPQBXGIRPRL-OXJNMPFZSA-N 403.483 0.654 30 20 HCED COCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489722 RFLJQTWUSOWLNT-NRFANRHFSA-N 408.495 0.178 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838271438 HKMHNHZCOFYAOF-IERDGZPVSA-N 420.510 0.644 30 20 HCED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1838522155 PFYROSQODWXFAY-NRFANRHFSA-N 416.478 0.925 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824815 WLMURYBPZXGRQN-GOSISDBHSA-N 405.411 0.543 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)c1 1838905638 QFXIBHNLZMFLSP-JOCHJYFZSA-N 421.457 0.661 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839223019 IWEHRSKTBIVSTR-OXJNMPFZSA-N 421.498 0.599 30 20 HCED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420708 YWAQZJOZRZQJTK-OAQYLSRUSA-N 418.469 0.767 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1840067118 VYVMRRRNWWLHHP-JXFKEZNVSA-N 409.458 0.797 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1840159454 DRHCTTYKCUVVQM-ORAYPTAESA-N 404.492 0.951 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840160885 WZQJXFYQVYJGIJ-PIGZYNQJSA-N 412.537 0.804 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840161511 RSPOEFWSHWDMOK-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840169042 GEVIFLIDAGDSKO-OAQYLSRUSA-N 417.510 0.907 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840292634 CHXICMJJLFDJAV-NRFANRHFSA-N 417.462 0.349 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840841346 RUKCLJGPNHLJRE-OAQYLSRUSA-N 400.479 0.631 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C1CCC3(CC1)OCCO3)C2 1841055473 HLUVWNNBCXCXFL-PLNGDYQASA-N 417.506 0.982 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1841618139 IEEZICHXULMMRZ-MRXNPFEDSA-N 410.536 0.569 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1841620931 RYRWYFYBTONEMY-OAHLLOKOSA-N 419.503 0.821 30 20 HCED COCCn1nccc1C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258909 IVNVJKJUAICVJM-HYARGMPZSA-N 402.499 0.818 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1845189418 BWKFANNQHBFROY-UHFFFAOYSA-N 405.373 0.378 30 20 HCED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 52355352 SVBDHYIPQVVQIF-ZDUSSCGKSA-N 414.441 0.244 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CCO1 409569393 DRDBUUAFEAIZPK-YOEHRIQHSA-N 414.915 0.772 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 430404126 PVMHDGIAVAFQMD-QUCCMNQESA-N 420.554 0.487 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CCC1 431042341 GGRDCHZZLLIGJD-UHFFFAOYSA-N 415.519 0.678 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)C[C@H](C)C#N 437423050 SOAFUSVRMJLOCC-CQSZACIVSA-N 401.467 0.639 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1=O 440273909 YRCFJUJXQBLLPU-OAHLLOKOSA-N 408.480 0.632 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 444495889 NIDABJXKSHGDAZ-OWQGQXMQSA-N 417.491 0.193 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 445959450 IRSFUWPPXODRJD-WBVHZDCISA-N 416.507 0.323 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)n1 447306129 OWJKTEMYLXZBCA-GFCCVEGCSA-N 409.368 1.120 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)C1=O 461610515 AZBRUUZTYNGNAO-ONGXEEELSA-N 411.461 0.448 30 20 HCED COc1cc(CNC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)ccc1C#N 462481920 TYWGXVDMYDBYEP-MRXNPFEDSA-N 415.494 0.641 30 20 HCED CC[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)N1CCOCC1 464808631 LKNIEBMLPKRFQO-GJZGRUSLSA-N 401.471 0.206 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 476553490 VLWPRYNZQYPHPK-DLBZAZTESA-N 407.492 0.018 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N1CCCN(c3ccccc3C#N)CC1)c(=O)n2C 478931782 DKBFDDJUYZRDCQ-UHFFFAOYSA-N 421.461 0.044 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3nc(O)n[nH]3)CC2)cc1 480031414 OEIZWXRYKHSOLM-UHFFFAOYSA-N 418.479 0.532 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482159630 XWRRNXIZBLPZII-SJORKVTESA-N 421.567 0.615 30 20 HCED C=CCOC[C@H](NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 482434879 GODUJFSCFMOINX-HNNXBMFYSA-N 400.501 0.513 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 485557044 BQUMHZCRGQKHCA-IAOVAPTHSA-N 411.480 0.162 30 20 HCED CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 490231781 RZSRPPYLQYIAPS-SJORKVTESA-N 419.507 0.334 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H](CCC(N)=O)C3)n2)cc1 491344540 BBMLUNZHZKOENK-HNNXBMFYSA-N 409.450 0.641 30 20 HCED C[C@@]1(CO)CCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 493702732 AWLRTZQMAAKKEC-ICSRJNTNSA-N 420.535 0.532 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1 496265004 UNGJQOSIDILMDP-LBPRGKRZSA-N 412.269 0.842 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 499807639 GPJUHZNYYBPZHS-IAGOWNOFSA-N 400.435 0.805 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C)CC2)cc1 501015794 QZRIQGQQIZJDCE-UHFFFAOYSA-N 423.539 0.779 30 20 HCED COc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C)c1=O 502003138 NNIGWAOLMNBYGS-UHFFFAOYSA-N 421.482 0.423 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H](Cn4ccnn4)C3)n2)cc1 503087321 KQHUMTDVPVPPTE-KRWDZBQOSA-N 419.449 0.667 30 20 HCED C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 506040837 FAORTXYQYALMOQ-NVXWUHKLSA-N 406.508 0.094 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)n1 508231813 FCBKYBSJOGMUJZ-CYBMUJFWSA-N 410.500 0.379 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3n[nH]c(C)c3C#N)c2)CC1 508770885 VNURMJHVNIECHB-UHFFFAOYSA-N 416.463 0.695 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)NCC)CC1 508881397 QABBBSXKRUUZJY-UHFFFAOYSA-N 422.497 0.365 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Cn2ccnn2)CC1 511064704 OTMYTMBZVNCISI-CQSZACIVSA-N 402.480 0.755 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 515742682 QUXMWIUNOLCULH-HNNXBMFYSA-N 420.535 0.576 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)CC2)c1C#N 530407734 JMGWVWKZIAUXRM-CABCVRRESA-N 408.528 0.788 30 20 HCED CCOC(=O)CNC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 532933840 YSFMNYJLNPIRAV-QGZVFWFLSA-N 412.446 0.581 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C 543861463 RKGISTHVQDGALN-UHFFFAOYSA-N 408.461 0.072 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2)c(F)c1 545405966 SSKFRNRZAWSPSG-BBRMVZONSA-N 400.414 0.612 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(C)cc1C 552007632 XZEIQINTHFISMY-UHFFFAOYSA-N 407.499 0.807 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)c(F)c1 552691453 SDJXNWOJQVBWCK-UHFFFAOYSA-N 407.427 0.611 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 557600663 LNIOCUAONFFQPS-IFXJQAMLSA-N 420.491 0.744 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)cc1 557791341 PLRKTNOUQQTEOU-UHFFFAOYSA-N 411.461 0.855 30 20 HCED COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCN(CC#N)CC1 571425060 SFPQZBWPWVSTJR-UHFFFAOYSA-N 400.888 0.880 30 20 HCED CC(C)(C)n1ncnc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577139377 URGSXTZAQPBZGD-MRXNPFEDSA-N 423.477 0.438 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 578692838 ITNANPDZTBHBPI-KSSFIOAISA-N 411.462 0.249 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)cc1 579620412 KOMSFSDEADNTKJ-YRPRCUQKSA-N 417.487 0.079 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC1 587640710 NNDSOENEMLPYRJ-NDEPHWFRSA-N 403.508 0.456 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 609458552 VBUQLEJBBNKLJA-HNNXBMFYSA-N 410.496 0.606 30 20 HCED N#CCc1cccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 619495724 TVMFWIFVNNBQGC-KRWDZBQOSA-N 413.521 0.568 30 20 HCED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743727696 TWPLGOOWMTWMLB-UHFFFAOYSA-N 403.508 0.048 30 20 HCED COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)cc1C#N 747447186 XEYHMDJOABCVFT-LBPRGKRZSA-N 416.459 0.649 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)NCc3ccccc3)n2)cc1 749629230 PYCXDUATFSODFA-UHFFFAOYSA-N 417.429 0.569 30 20 HCED N#Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)cn1 751262272 CIWYTJAUSHCXLK-UHFFFAOYSA-N 422.492 0.828 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(CC)s2)c1=O 752185989 UYVJLAPZSUOJKV-UHFFFAOYSA-N 406.533 0.604 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)NC[C@H]2C1 752753751 LXCPSZIZLXNLPO-AWEZNQCLSA-N 419.507 0.522 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 758575666 RWYGVQLOMDHWMX-MCIONIFRSA-N 419.486 0.798 30 20 HCED COc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1NC(N)=O 762573188 WZSJELHFQSBVDA-UHFFFAOYSA-N 403.420 0.863 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCSC 763452078 FCPHGDIFLFQCQG-UHFFFAOYSA-N 420.560 0.267 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCCO1 763465956 MUINFZWAFUEEIT-INIZCTEOSA-N 414.531 0.847 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CC(=O)OC(C)C)C2)c1=O 766030272 FODXDGYHQGBMRA-MRXNPFEDSA-N 406.483 0.555 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCCSC 767884426 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HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCCS2(=O)=O)ccc1F 784118046 LTSXXCLOESFYQI-ZDUSSCGKSA-N 404.485 0.987 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 784871056 XEWOVYCRZYZASX-SFHVURJKSA-N 409.442 0.888 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 785160050 PPWGDSOUEPFXSM-UHFFFAOYSA-N 423.491 0.574 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)N[C@@H](C)COC)c1 787504872 CYYMDZXBILQWJT-LBPRGKRZSA-N 413.452 0.168 30 20 HCED CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)NCCNc2ncccc2C#N)C1 787779559 XOFAJERQWNRJNU-UHFFFAOYSA-N 402.455 0.464 30 20 HCED C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 798741988 YRANILDSUJGCPK-MNOVXSKESA-N 414.378 0.762 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1=O 799027551 MEMBMRFLADCSJI-ZFWWWQNUSA-N 404.492 0.749 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c(F)c1 802550283 UKTNLAZLQFNTAZ-UHFFFAOYSA-N 406.389 0.080 30 20 HCED CC1CCC2(CC1)OC[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)O2 806704549 PERARJMOBXUZGP-LQZXRHCMSA-N 418.498 0.693 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C(=O)N1c1ccccc1 807653225 AKQPUBMEROAXCK-WMLDXEAASA-N 406.446 0.792 30 20 HCED C#CCN(C)CCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 818615146 BKGWJVCBNYPWEK-UHFFFAOYSA-N 423.535 0.330 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 820781742 HONSBYKJCIVYMZ-INIZCTEOSA-N 400.526 0.090 30 20 HCED Cc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)s1 917791146 GWGFZMCBQAXLPN-UHFFFAOYSA-N 402.501 0.372 30 20 HCED CN(C(=O)COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C1(C#N)CCCCC1 920603869 BFSTZMIIJLBLPR-UHFFFAOYSA-N 415.450 0.417 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116392014 OQLMQLNGLVPKNT-UHFFFAOYSA-N 411.458 0.816 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1251341389 CKOQMLODUMPPJE-WMLDXEAASA-N 412.446 0.534 30 20 HCED N#Cc1ccc(CCNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1252977986 YAMLFVAEHJHNTQ-SFHVURJKSA-N 406.508 0.937 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)no1 1316101599 KXLOWHCSVCQTBG-AWEZNQCLSA-N 408.484 0.891 30 20 HCED C=CCn1c(Cc2noc(CCS(=O)(=O)CC(C)C)n2)nnc1N1CCOCC1 1320196162 CWSVKUQLHKHPDE-UHFFFAOYSA-N 424.527 0.888 30 20 HCED N#CCOc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1 1468772279 YLSFUQMHGQBIBJ-UHFFFAOYSA-N 404.452 0.528 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cccc(F)c2=O)CC1 1559424747 YFZFXCHFMKCPIV-UHFFFAOYSA-N 404.423 0.392 30 20 HCED C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1613025850 IJYGDEAMIXHYGL-KUHUBIRLSA-N 401.492 0.925 30 20 HCED CCO[C@@H]1COC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1686459540 MNHOOBIJAZPPBS-IAGOWNOFSA-N 408.480 0.378 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[S@@](=O)CC 1709137411 UINLFDMQTHZZIR-NDEPHWFRSA-N 404.544 0.849 30 20 HCED N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCn2cc(CO)nn2)CC1 1712883226 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424.523 0.497 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1779422797 OOGZDMLVSIUURV-KJRKUQRBSA-N 420.470 0.461 30 20 HCED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780178059 XJDCXHNQCZTGHA-CRAIPNDOSA-N 408.480 0.058 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780179830 UQPNDQGRWUQFJM-CFCCAZDESA-N 415.494 0.881 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1781263934 KACKQURCGYBLRN-IAGOWNOFSA-N 422.400 0.639 30 20 HCED NC(=O)c1ccccc1C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781757709 IBUXJECZFDCVNM-XUHCNCODSA-N 424.457 0.941 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(C)=O)C1 1781786854 CHNGSGXHERWEIP-VGKBRBPRSA-N 409.527 0.598 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783108279 DDOLEISLJSQTQY-UWJYYQICSA-N 406.527 0.193 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C(F)(F)F 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LSKIAPPTUXYSGO-KNKQGSTJSA-N 423.554 0.602 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832494053 TXNWTPNIGHURIC-PXNSSMCTSA-N 401.419 0.196 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833230996 BNAMJPWNPBADFR-JXFKEZNVSA-N 403.483 0.654 30 20 HCED CC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1833258777 FTWFMWJWGWHHHH-JSTSCLCESA-N 424.542 0.858 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1833465663 NVYSAHCHTPHLOD-MAUKXSAKSA-N 421.542 0.043 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)COCCOC)CC2)CC1 1834565290 FSKBCGFJLZCZGA-QGZVFWFLSA-N 411.543 0.812 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1834759902 BBWRFJGNIRAZOW-FQEVSTJZSA-N 410.434 0.251 30 20 HCED C[C@H](Sc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768583 DTSJXNNHARYENQ-KXBFYZLASA-N 404.492 0.932 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1835357325 SGSZOIAFWQWJQV-SFHVURJKSA-N 405.480 0.789 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837785773 WBDYTTNUSDAYKE-IYNODDHASA-N 420.466 0.614 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118022 WHPZAFCTZXYDAC-FQEVSTJZSA-N 410.434 0.251 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cccnc4)C3)C2)c1 1838736230 RSJYNHNFWRGKCG-NRFANRHFSA-N 409.446 0.594 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738010 LDLCZBIWUICHMK-QRWLVFNGSA-N 404.467 0.770 30 20 HCED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950034 KMXYSOLKTWTDRV-NRFANRHFSA-N 409.446 0.676 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ocnc3C)C2)C1 1839223898 KAGBWWAAKMSOBN-KXBFYZLASA-N 408.455 0.854 30 20 HCED COc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)ccc(F)c1F 1839382626 XYINNQFAFZIAAZ-LJQANCHMSA-N 409.389 0.957 30 20 HCED CC(C)c1csc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041214 YNIKNCCVEUHMSK-LJQANCHMSA-N 421.475 0.425 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843082982 WJXATBKIQOJLGT-AWEZNQCLSA-N 419.486 0.346 30 20 HCED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)C(=O)O 1846978866 BUXVQQCGJCBZOI-OAHLLOKOSA-N 400.435 0.203 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)ccc1F 1847784910 CSYJCPTVEULKBX-DQYPLSBCSA-N 422.482 0.841 30 20 HCED C#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 7020981 LOHPWRMUOIICDN-CYBMUJFWSA-N 414.867 0.704 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 410403589 LSHCAYDPODWGFP-MRXNPFEDSA-N 423.605 0.697 30 20 HCED Cn1c(NC[C@H](CO)Cc2ccc(Br)cc2)c(C#N)c(=O)n(C)c1=O 428686540 ZGYIVKNHWSTRMA-GFCCVEGCSA-N 407.268 0.981 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(S(C)(=O)=O)c(Cl)c2)C1=O 429343620 DZQVNNAWDPBZRP-UHFFFAOYSA-N 413.839 0.337 30 20 HCED N#CCSc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 430726587 VNNUMKULQSKATO-UHFFFAOYSA-N 410.521 0.637 30 20 HCED N#CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 472108134 LNEJEKZLMNJLNF-UHFFFAOYSA-N 412.537 0.691 30 20 HCED Cn1ncc(C(=O)NCc2ccc3c(c2)CN(C(=O)c2cnn(C)c2C#N)C3)c1C#N 476834739 YOJXIXXYYZQTHM-UHFFFAOYSA-N 414.429 0.983 30 20 HCED CO[C@H](C)c1noc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 477287941 XOKMXFMNOYLVGY-GFCCVEGCSA-N 407.452 0.928 30 20 HCED COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCCS(=O)(=O)N(C)C 477523387 CDPCWJUKZORJNC-UHFFFAOYSA-N 403.526 0.618 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481549360 XAXGDONYJKUMKO-DOMZBBRYSA-N 410.521 0.605 30 20 HCED C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)S(=O)(=O)C1CCOCC1 482811455 LUUCUIHULJEIID-KGLIPLIRSA-N 407.496 0.368 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@]2(CCCOC2)O1 485269252 SNOZFDPEFNSJPI-VBKZILBWSA-N 410.434 0.874 30 20 HCED N#CC1CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)CC1 490412306 FFHGDJGQTSWCEF-SFHVURJKSA-N 412.446 0.402 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)CC1 491120078 DVTCQDCFCICDLF-UHFFFAOYSA-N 421.885 0.085 30 20 HCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(CC#N)C2CC2)c1OC 495532253 YEDUSOKCDHGXMO-UHFFFAOYSA-N 409.464 0.853 30 20 HCED COCCn1nnc2c1CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C2 499126453 WLCODAOMUIPRDL-UHFFFAOYSA-N 418.479 0.002 30 20 HCED CCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505694312 LXVOUWJXDPFPAZ-CQSZACIVSA-N 400.504 0.861 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 506696333 GCZBYJPONIYQRB-ZBFHGGJFSA-N 422.507 0.375 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)cc1 509394677 KZZISLHSRFVYMW-ZBFHGGJFSA-N 424.475 0.718 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C)cc2)C1 518445028 ZHBGEIJTKUSBLR-AWEZNQCLSA-N 400.526 0.684 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1 526009674 GBBHXYDHQLIAAB-HNNXBMFYSA-N 419.482 0.891 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 531953262 GDKVSWILZQOIHZ-UKRRQHHQSA-N 405.480 0.241 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H](O)[C@H]3CCOC3)n2)c(Cl)c1 541145350 JCFZPGTVZYBNLG-SWLSCSKDSA-N 403.826 0.849 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 541763410 IUDXYYMWAKLUOC-INIZCTEOSA-N 413.521 0.535 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 544337547 WSTRZGQJAWPNCH-LBPRGKRZSA-N 407.452 0.622 30 20 HCED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 549668558 ZZDSKSJBCHRTBW-ZHCJQAHYSA-N 423.539 0.801 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1 551080762 OTAJOMYYSRBWTH-UHFFFAOYSA-N 400.460 0.741 30 20 HCED CC[C@@H](C)N(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 554305091 GNXFEPFWWYWBFX-MRXNPFEDSA-N 408.524 0.484 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc(C)s2)cc1 554598021 VEAOCJUHVDEORA-UHFFFAOYSA-N 409.493 0.908 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC1 559564669 RIRSKXVTBYAINW-MRXNPFEDSA-N 401.511 0.923 30 20 HCED C=C[C@](C)(O)CC(=O)N1CCC(C(=O)N2CCN(C(=O)C[C@@](C)(O)C=C)CC2)CC1 566945549 HWEYLIBVIKWAPW-VXKWHMMOSA-N 421.538 0.550 30 20 HCED COC(=O)c1cn([C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)nn1 574236400 WFHRLSLQRQJFTF-AWEZNQCLSA-N 404.452 0.442 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cnccc3C#N)CC2)c1 580360254 KJDOLZJFSNWUCL-UHFFFAOYSA-N 420.472 0.948 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 581286558 PXVXOYRBLRHLFB-UHFFFAOYSA-N 421.504 0.372 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)c1 602251428 BHFZVPRMFKJZAR-QGZVFWFLSA-N 409.398 0.633 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@@H](O)COc1ccc(CC#N)cc1 613144400 TWVUTAWADZAJLJ-IAGOWNOFSA-N 409.508 0.118 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)C2=O)cc1 617055606 JEVNKCFQOQCTPR-UFYCRDLUSA-N 411.506 0.900 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617056885 FRNVAISSEUMDIZ-SFHVURJKSA-N 412.494 0.075 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1=O 726042516 DBMOVCYYFXCMLI-UHFFFAOYSA-N 424.753 0.707 30 20 HCED C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 726405707 QEMUNDKTQCZGJT-HUUCEWRRSA-N 405.501 0.923 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 731124314 OQMFETAPNPJHTP-UHFFFAOYSA-N 415.471 0.873 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 731765790 ZDHKLUDHADYJDI-UHFFFAOYSA-N 409.508 0.815 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731862921 MUUBHJAQCVYHKQ-ZPHPHTNESA-N 420.491 0.973 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 733364311 GDQWREPNLQRBET-UHFFFAOYSA-N 423.473 0.745 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C1=O 740830367 XNYOMQZDINCGJL-OLZOCXBDSA-N 408.455 0.725 30 20 HCED CCC(=O)N1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742566065 SQDIXBYORYOIKG-AWEZNQCLSA-N 406.508 0.975 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 744556486 BOCZCBYVKRYELZ-LBPRGKRZSA-N 406.395 0.989 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccccc1C#N 745444419 ROSZFOKQFULKBK-CGGOAGFTSA-N 411.414 0.979 30 20 HCED N#Cc1cccc(-c2nnc(COC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)o2)c1 745482498 PBNWNAGXQSKLLL-BQGCOEIASA-N 408.370 0.814 30 20 HCED C#CCNC(=O)C1CCN([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 747820008 GXWBVTADUGBBSG-INIZCTEOSA-N 400.479 0.414 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(C[C@@H]2CCCO2)CC1 750854374 SWRUPNNWFCFQPC-INIZCTEOSA-N 420.535 0.829 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)C2=O)cc1 754707504 QHVPHCWESRFNPA-IPMKNSEASA-N 419.441 0.746 30 20 HCED NC(=O)[C@@H](Cc1ccccc1)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 754738667 SZYFCDHCDUUCKG-OAHLLOKOSA-N 401.444 0.755 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccc(OCC)cc2)CC1 761030714 KNAFYGSDHSZKSK-UHFFFAOYSA-N 408.524 0.129 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 766980306 QVAJZMJKWOKWFP-UHFFFAOYSA-N 417.399 0.530 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)Nc1ncccn1 767677119 RDLRWHRJVMESMS-VXGBXAGGSA-N 403.420 0.585 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 769215678 KFOMPRLFQBRYDX-FZKQIMNGSA-N 406.464 0.823 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771440478 WCVKEWPHUQXQQI-IBGZPJMESA-N 418.406 0.017 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(N2CCCNC2=O)CC1)c1cc[nH]n1 772431236 OAFQNYVSRXYXEX-UHFFFAOYSA-N 406.443 0.100 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCCCN1CCC(C(N)=O)CC1 773189348 SXXLVWJTDFBULU-UHFFFAOYSA-N 400.479 0.731 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCCO1 773799543 SMWKUAVVPLUNCZ-NVXWUHKLSA-N 405.476 0.123 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2cnccn2)C1=O 774584025 WOQRYFYMKPPGDE-HNNXBMFYSA-N 412.475 0.886 30 20 HCED C#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 775330221 PZJMZNJMIMMPJI-MOPGFXCFSA-N 406.504 0.937 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CSc3nncs3)CC2)o1 775963362 AXUNIDYMGYXFOE-UHFFFAOYSA-N 408.465 0.690 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)nc12 782304779 WCIXXICXEOAXAY-HNNXBMFYSA-N 405.374 0.470 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 783347614 ROJZMUKOKANFAJ-UHFFFAOYSA-N 408.480 0.434 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(NC(=O)CC)ccc1C)[C@@H]1CCS(=O)(=O)C1 783478508 DBQZDVLLBMGFRX-OAHLLOKOSA-N 405.476 0.931 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccnc1N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 783479960 NQDTZWGMJJOCLF-OAHLLOKOSA-N 404.492 0.659 30 20 HCED C#CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 784601337 SZEOXSMZEFAKAH-UHFFFAOYSA-N 412.464 0.623 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)N3CCC4(CC3)OCCO4)C2=O)cc1 792783284 AYYDNOZDSLGECT-QGZVFWFLSA-N 420.491 0.332 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)n1 793907885 DMZSEWJAGWJRFF-CEXWTWQISA-N 417.554 0.974 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)n1cnc(C#N)n1 798742609 QLSFMKDDQHPCSA-SECBINFHSA-N 413.362 0.889 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCCCC4)O3)CC2)nc1 806700269 TWFSFNVJRBOARJ-KRWDZBQOSA-N 413.478 0.794 30 20 HCED Cn1nccc1CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 808017596 BIIWXWLUGZRLJQ-UHFFFAOYSA-N 400.870 0.953 30 20 HCED C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 809888520 XRABQHRGZVAOGT-KRWDZBQOSA-N 424.490 0.734 30 20 HCED CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810355359 ZTHUUWNECWRZQW-UHFFFAOYSA-N 403.402 0.835 30 20 HCED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 810778981 UDFDDIALZCDOQA-INIZCTEOSA-N 415.830 0.715 30 20 HCED N#CCCNC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 825228474 BIPRYLLRNJJYBX-UHFFFAOYSA-N 411.436 0.089 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 916892544 MSNAZTKTGJAHSG-QGZVFWFLSA-N 407.492 0.875 30 20 HCED CN1CC[C@H](C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 917013768 PVLGLGFCRSQDPA-YOEHRIQHSA-N 413.434 0.821 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CN(C)C1=O 996934564 JTKKVFSIOSGOLP-ZVZLPEGASA-N 404.467 0.110 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ncn(C)c1=O 1003042542 VOESRSQSAVMZJN-OCABDXPQSA-N 403.483 0.201 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 1116093087 XUUALDKWKLURAC-CQSZACIVSA-N 416.507 0.634 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H](O)CN2CCCC2=O)c1 1116357317 QNPPOLNETYOXQL-GFCCVEGCSA-N 402.270 0.582 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)N=c1cc[nH]cc1I 1116528471 OUKHUWRJKFPVQE-BUHFOSPRSA-N 412.187 0.963 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)c1 1136040722 AKIKJHYBCJGOOV-UHFFFAOYSA-N 403.439 0.719 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1196658473 LBSXLIQWRFRGCT-UHFFFAOYSA-N 402.407 0.900 30 20 HCED C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CN(C)CCN1C 1256466837 VSZCYZGQYHHFMJ-RHSMWYFYSA-N 401.515 0.890 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 1319447223 JEDUZBCNJLALIB-LHANULRTSA-N 405.499 0.580 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1320532076 QONLOHDCWBPUNB-JKSUJKDBSA-N 418.475 0.799 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCC[C@H](C(N)=O)C1 1320673394 QECQBEUTAYBDBB-CWRNSKLLSA-N 412.446 0.567 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2=O)cc1 1321530297 HXQGXLASFFDNGJ-SFHVURJKSA-N 409.490 0.678 30 20 HCED N#C[C@H](C(=O)c1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCS(=O)(=O)CC1 1342583337 LKWWLRSMVMWALJ-CQSZACIVSA-N 409.439 0.242 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)CC2)c1 1470454117 YVBXLCBGAWXCFW-UHFFFAOYSA-N 414.510 0.666 30 20 HCED CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1478567428 IOFQRHNYRUHGKB-GOSISDBHSA-N 414.510 0.321 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593872638 JVOCFVMSZXPUON-VXGBXAGGSA-N 419.877 0.514 30 20 HCED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1611599360 OOBSUVRBURILCP-WBVHZDCISA-N 400.531 0.527 30 20 HCED N#Cc1cn(CCC(=O)N2CCOC[C@@H]2CC(=O)c2cccs2)c(=O)nc1O 1629383624 ODRZCYWUDYRZBK-ZDUSSCGKSA-N 402.432 0.773 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3(C#N)CCC3)c2)CC1 1643012192 RYMDQNSZARRDKU-UHFFFAOYSA-N 404.492 0.963 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 1668779387 VYOZYSQSWNDKMU-FQEVSTJZSA-N 412.538 0.796 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1690346605 XWRMVOTWPFEMIQ-DGCLKSJQSA-N 402.908 0.959 30 20 HCED CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1752516707 FBFHFJQQSQEUET-GOSISDBHSA-N 406.512 0.963 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778256800 BDQSUILMYYLYFZ-JOCHJYFZSA-N 404.555 0.832 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](O)NC(=O)OCC)C2)C1 1779197496 IVARZJUTDNUADR-WRWLIDTKSA-N 409.483 0.531 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779223999 ZIYRUAXXHKSWMT-ZQUFOJLJSA-N 417.514 0.216 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C2 1779329873 FGYYCZZXHLURHZ-DXEZIKHYSA-N 409.527 0.585 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1ccnn1)C2 1779339417 JJHOUGSFSBXLOD-ZGPJWRFFSA-N 419.526 0.926 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C(F)(F)F)n3)C2)C1 1779514984 HZVDENJTGQFEKP-QGZVFWFLSA-N 411.336 0.632 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C)[nH]n2)C1 1780131917 RCCAYBIJBIRIHI-LRJKKDHCSA-N 415.494 0.704 30 20 HCED COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780169344 RDXRMUNACPYCIA-NRFANRHFSA-N 417.462 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C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840842011 IEXVOLQBNGAAGU-NRFANRHFSA-N 415.446 0.336 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc(OC)ccc1[N+](=O)[O-])C2 1841600157 JEBKYQJGESPSNU-CYBMUJFWSA-N 402.407 0.854 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841609758 UMOYWRIWKWKGOF-LSDHHAIUSA-N 401.467 0.389 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CCS(=O)(=O)CC3)C2)c1 1841894490 GTYDJBJSZHYGOM-UHFFFAOYSA-N 416.503 0.106 30 20 HCED CC(C)(C)OC(=O)NC12CC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)(C1)C2 1846197047 NMGIFJYACSJYQM-UHFFFAOYSA-N 417.462 0.725 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CC(N)=O)C2 1847069817 PDTUQYPKCMPRDH-CABCVRRESA-N 420.510 0.618 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c1 29191306 ZCNUMILIQOAPFA-CQSZACIVSA-N 401.510 0.305 30 20 HCED N#Cc1c(CCCNc2ccc(C(=O)NCCO)nn2)nn(-c2ccccc2)c1N 428124439 FNQXVCPWVMGSRQ-UHFFFAOYSA-N 406.450 0.883 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 430377995 KHMLFGIZUMPBSC-LSTDLKDCSA-N 419.501 0.945 30 20 HCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccccn2)c(=O)n1C1CCC1 431026941 SZDIFBUVCJKPKI-MRXNPFEDSA-N 410.499 0.828 30 20 HCED N#Cc1ccc(OC[C@H](O)CS(=O)(=O)Cc2nnnn2CC2CCOCC2)cc1 434635097 BBHYSOYBHVBNDI-INIZCTEOSA-N 421.479 0.326 30 20 HCED N#Cc1ccsc1N1CC[C@@H](N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1=O 436217400 IKFWMDIHKPUZCA-CQSZACIVSA-N 415.475 0.018 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 437415406 YNFJRAAGJPJHBE-OAHLLOKOSA-N 402.451 0.871 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 437421581 OEYCVQLHCTXFBI-CYBMUJFWSA-N 409.512 0.950 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)N(C)C)cc1 440717348 ORFCFAJNPOPANT-UHFFFAOYSA-N 401.467 0.827 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 444315816 LHUJMJAFQUVBSK-CZUORRHYSA-N 413.521 0.651 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460594021 VSASVYCFKCMYID-KRWDZBQOSA-N 411.466 0.286 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1 463324959 DPNAQCMLJUBWRV-IBGZPJMESA-N 402.414 1.507 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccc(NS(C)(=O)=O)c1 465121586 NFKDXPQZBLDFBE-AWEZNQCLSA-N 414.491 1.000 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(C(=O)N(C)C)c1 465503754 OHVXUOMKYYPWBM-CQSZACIVSA-N 414.491 0.949 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 466936283 PTMZHUPSUUDKIM-KGLIPLIRSA-N 411.470 0.321 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 479887312 NSAGRJDIKZUSIM-NVXWUHKLSA-N 408.524 0.698 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 480215687 JHXDQRAGZIGTSQ-UHFFFAOYSA-N 403.891 0.945 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC 481897943 VGCNGXBOIALRCR-ZIAGYGMSSA-N 415.537 0.897 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1=O 484994366 GBLAAQGFHOZXGJ-UHFFFAOYSA-N 410.333 0.345 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 485577401 BJJAZUKVZLQMAU-DLBZAZTESA-N 411.480 0.429 30 20 HCED CN(CC(=O)N1CC(=O)N(CC(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 486279033 ALDJQEAFOOVGRN-UHFFFAOYSA-N 404.370 0.369 30 20 HCED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)s1 486821619 RSHLPFOCOKWQCD-UHFFFAOYSA-N 405.505 0.897 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(C(N)=O)cc3F)C2=O)cc1 488633426 ZRQKYOZCNKUNNQ-QGZVFWFLSA-N 423.404 0.652 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)c1 504020095 ILZMDDPTBGBGIY-UHFFFAOYSA-N 407.430 0.631 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)nn1CCC#N 504549537 WJXUPJQMODNZTH-SFHVURJKSA-N 423.477 0.415 30 20 HCED CS(=O)(=O)N1CCc2c(cccc2NC(=O)C(=O)N2CCC(F)(C#N)CC2)C1 506551212 VLQRTVRNYBUNDI-UHFFFAOYSA-N 408.455 0.797 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(OC)c2)CC1 507521859 BGTNWJJNQKCPDS-UHFFFAOYSA-N 416.522 0.535 30 20 HCED C=CCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508817455 NSBVGIIYXDDTID-HUUCEWRRSA-N 410.544 0.818 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](CCCO)c3ccccc3)CC2)c1C#N 509155289 PYZIRTQDHFPLOJ-LJQANCHMSA-N 424.505 0.879 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCn3cnc4ccccc43)CC2)c1C#N 517972332 NRADKGGTCOIPER-UHFFFAOYSA-N 420.477 0.415 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1=O 523379340 RBELWGWFUZRZNI-UHFFFAOYSA-N 400.391 0.074 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)CC2)c1C#N 530469099 UZDMRIMMRWQRLV-QFIPXVFZSA-N 408.506 0.886 30 20 HCED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(Oc2cccc(C#N)c2)CC1 533287796 SBOVECUAAWDWFS-CYBMUJFWSA-N 411.462 0.652 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCCOc1ccc(Cl)cc1 551235952 BMSIARZYGXTTIL-UHFFFAOYSA-N 400.844 0.792 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](CC(N)=O)C3)C2)c(F)c1 553808707 ZLTRUJXDXJURQN-CVEARBPZSA-N 415.469 0.896 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H]2CC)cc1 556685980 VBROVQSRWNXMAK-INIZCTEOSA-N 408.524 0.984 30 20 HCED Cc1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc2c1c(=O)n(C)c(=O)n2C 567771928 OTWIVNFZZDZLFF-CQSZACIVSA-N 420.429 0.501 30 20 HCED C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 567954062 NBJZUWCXPMCLRP-SNRMKQJTSA-N 412.490 0.927 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 575011758 LDMPYIQQIHXYFW-VQTJNVASSA-N 413.522 0.450 30 20 HCED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)C2 588036468 QFTHDVJSLFSTSL-KRWDZBQOSA-N 421.457 0.730 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(N3CCCS3(=O)=O)c2)C1=O 607101100 QJRXCGBBKZVFCQ-UHFFFAOYSA-N 420.447 0.450 30 20 HCED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)c2ccccc2O1 609341892 CDIWKCURQRBFGC-SFHVURJKSA-N 413.478 0.411 30 20 HCED Cc1noc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609940024 GNCRINGXPXTNIR-UHFFFAOYSA-N 417.447 0.635 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 619059065 ALGJQPRKOZYBIL-UHFFFAOYSA-N 410.500 0.004 30 20 HCED C=C(C)Cn1c(COC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 670221636 HRFDEKUZWVVKPD-UHFFFAOYSA-N 414.514 0.954 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCOCC2)c(F)c1 732450258 PYBRCTUVUHYUBA-HNENSFHCSA-N 417.441 0.988 30 20 HCED C#CCOc1ccccc1CNC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 734137417 XHUHGTHWITVADJ-UHFFFAOYSA-N 415.427 0.570 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 734221922 PQNSFOATCROGNY-UHFFFAOYSA-N 407.430 0.285 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCC(O)CC1 736193039 UECQVUILYOWGKM-UHFFFAOYSA-N 408.524 0.468 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 739155562 RGMOFEXIWYPUIG-LBPRGKRZSA-N 421.413 0.910 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1C1CC1 742851614 USYZQEFFKSXOHL-AWEZNQCLSA-N 417.495 0.778 30 20 HCED C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 751732003 YUGZXPYWLVAMAC-VXGBXAGGSA-N 404.448 0.967 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2csc(CC)n2)c1=O 758074713 BMUWAXGSKOYYAJ-UHFFFAOYSA-N 400.529 0.981 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(F)cc2)c1=O 758077888 DRZYYKWLGTWBHE-UHFFFAOYSA-N 424.501 0.349 30 20 HCED CC1CCN(c2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 760217473 PGRUWDFSDTZGLI-INIZCTEOSA-N 404.492 0.897 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)nc21 760400189 HNWIIKAIQGBKDT-UHFFFAOYSA-N 406.468 0.922 30 20 HCED CNC(=O)[C@@H](NC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)c1ccccc1 762672045 VHXZVCPZNGALSA-SFHVURJKSA-N 424.413 0.734 30 20 HCED CC(=NNC(=S)NCCCN(C)C)c1c(C)nn(CCS(C)(=O)=O)c1C 763177539 ZZMRQUYLBLTQEL-UHFFFAOYSA-N 402.590 0.684 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cncs2)c1=O 767872423 OYNPAMIMZRSTKA-UHFFFAOYSA-N 406.558 0.855 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1 769584830 WUEQJILKTYOMMI-AWEZNQCLSA-N 414.509 0.162 30 20 HCED C=CCN(C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)[C@H]1CCS(=O)(=O)C1 773853666 XMQMQBSYRJREGS-AWEZNQCLSA-N 407.423 0.689 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCS(=O)(=O)N(C)C 774529330 HOZBLIHYITVDIV-LBPRGKRZSA-N 403.482 0.050 30 20 HCED Cc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)nc2c1c(=O)n(C)c(=O)n2C 779319052 VKTSNSDJCIBYAW-UHFFFAOYSA-N 419.463 0.084 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCN2CCNC(=O)C2)C1=O 781104215 OUJVXSKGKDMITM-CQSZACIVSA-N 423.926 0.839 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 781602289 IVZWWIDIBDUPLE-VCXDHIOWSA-N 403.391 0.309 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 783464377 FIKKCRYWJZCYFD-UHFFFAOYSA-N 404.386 0.337 30 20 HCED CC(=O)NCCN(C(=O)C(=O)Nc1cnn(CC#N)c1)[C@H](C)C(=O)OC(C)(C)C 785321477 QSFDNVWDTABLGH-GFCCVEGCSA-N 406.443 0.040 30 20 HCED Cc1nn(C)c(N2CCN([C@H](C)C(=O)Nc3sccc3C(N)=O)CC2)c1C#N 788275476 MYOKGWUWGBPHOR-GFCCVEGCSA-N 401.496 0.910 30 20 HCED N#Cc1ccnc(N2CCC[C@H](OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)c1 791984984 ZLQMNZHSSFHVSQ-INIZCTEOSA-N 413.459 0.963 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(CC(=O)OCC)c2)CC1 795845553 VDKOSXJKLZANED-UHFFFAOYSA-N 421.519 0.238 30 20 HCED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 798486165 NRLDOHREWFWETP-AWEZNQCLSA-N 404.510 0.900 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)C1=O 799267945 CBRPACVIIUICMK-INIZCTEOSA-N 412.446 0.914 30 20 HCED COc1cc(C=NNCCCN2CCOCC2)ccc1OCC(=O)N1CCOCC1 799488469 HQAZUDKQWMTYIU-UHFFFAOYSA-N 420.510 0.579 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)C(=O)NCCF)cn1 799862597 YHPLVVILTRDCNE-FZMZJTMJSA-N 424.502 0.977 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 800014292 WNQPBYCLMZVAGR-KRWDZBQOSA-N 423.539 0.585 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CCO1 800101581 XHVNAMYVQYUPEC-AAEUAGOBSA-N 403.844 0.203 30 20 HCED C[S@](=O)Cc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 804861448 ZGXTXTVQVQNIQF-SANMLTNESA-N 405.501 0.920 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1)[C@@H]1CCCO1 809308815 BDCJBCGICDBBBH-HKUYNNGSSA-N 403.454 0.776 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 810786257 ALSQAQJRSRMYHG-AWEZNQCLSA-N 415.449 0.217 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 815561884 RYIDZQXYKSJNPN-JQWIXIFHSA-N 420.426 0.020 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)[C@H](C)O)cc1 819551700 JCDVIWWCUBMEKQ-SUMWQHHRSA-N 421.475 0.458 30 20 HCED CC(=O)N[C@@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)c1c(F)cccc1F 1148392910 NIEZHSNRARCZGC-AWEZNQCLSA-N 405.361 0.482 30 20 HCED CS(=O)(=O)N1CC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1300414368 LILLHWLHCIBZDK-UHFFFAOYSA-N 414.491 0.488 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1303636027 KGDIKILVJURGHF-CJNGLKHVSA-N 411.466 0.880 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1318442625 VQDQUUFBRYSNBW-VXGBXAGGSA-N 411.461 0.137 30 20 HCED Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1CCO[C@H]1CCCCO1 1319522062 YXGZAYOOVKPMKT-DMEQXSTQSA-N 417.466 0.991 30 20 HCED CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NS(=O)(=O)CC1(C#N)CC1 1323376607 DMOJDAFUFZNDPI-UHFFFAOYSA-N 410.477 0.331 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)CC2)c1C#N 1324320286 SKSHLXYJPXJZBY-OAHLLOKOSA-N 420.514 0.913 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1463867624 OEPGIJQCWVEAPD-OLZOCXBDSA-N 409.530 0.153 30 20 HCED N#CC1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1505320440 JWFYCFJNNJMTPN-UHFFFAOYSA-N 404.496 0.953 30 20 HCED CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCC1 1515980271 MLPPQKHRACSQFN-KGLIPLIRSA-N 401.471 0.264 30 20 HCED CN(C)CC1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1560036628 JDFDJLSVZIAUFJ-QGZVFWFLSA-N 405.568 0.845 30 20 HCED COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1cc(C#N)c(SC)nc1O 1570121995 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O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)[nH]n1 1822204862 AMOGXLOGLHYDLT-CHWSQXEVSA-N 408.436 0.067 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1823079845 PDPJVDKIBHOOQR-WOPDTQHZSA-N 424.527 0.449 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1823749047 DRXDJJLFWLEBAQ-RQUZMNLWSA-N 418.538 0.989 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825665314 CYPAWKLBOYWFTG-VIFPVBQESA-N 402.388 0.263 30 20 HCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)N1CCOCC1)CC2 1826427036 KOGFNRPTSIUEOX-IFXJQAMLSA-N 420.535 0.899 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CCn3ccnn3)sc2C1 1826868654 GHGSNUWTVRWPDJ-QWHCGFSZSA-N 402.480 0.775 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)C1 1829664935 HDOHITCCAMFHCT-HXUWFJFHSA-N 420.441 0.819 30 20 HCED CCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907265 DRXNJIFNHWRDFH-JOCHJYFZSA-N 415.490 0.984 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1830056125 MXWUVSNVVSZGQN-FQEVSTJZSA-N 412.450 0.349 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830967165 RWQONRRLDHYABP-OXJNMPFZSA-N 419.482 0.276 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC1CCC1)CCO2 1831058328 CICHCNWCJOWJSG-PYHFOVLWSA-N 419.522 0.882 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1831391508 PNNQKKHWNPFYGD-OXJNMPFZSA-N 404.467 0.011 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1831426646 MQSMESOXPLHRMB-MGPUTAFESA-N 407.467 0.898 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1831487556 PDDFWTSPLLZOMZ-QFBILLFUSA-N 401.573 0.785 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)n4cnnn4)CC3)CC2)C1 1833050863 PKTIDTILIKDYQI-OAHLLOKOSA-N 401.515 0.772 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1833148397 YROYMSVATIOVJS-QGZVFWFLSA-N 424.567 0.685 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)COCCOC)CC2)CC1 1834565316 HEFOAQAUFKDOGX-QGZVFWFLSA-N 409.527 0.259 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1834755426 BISJNXNVYMKZGM-RXVVDRJESA-N 412.446 0.550 30 20 HCED O=C(C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccco1 1835096113 QDENKWRFETXBHG-QHCPKHFHSA-N 422.437 0.970 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccc5[nH]4)C3)C2)CC1 1835342063 OYRZHMDOQRCGHW-OAQYLSRUSA-N 409.446 0.937 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)CC1 1835344753 SIYQVDZPTQOIFL-HXUWFJFHSA-N 415.450 0.039 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1835361206 FQVQUYYUJSHQJE-FQEVSTJZSA-N 415.425 0.847 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNc1ccc(F)cc1)CCO2 1835581142 AQTXFIXQRBECKT-FQEVSTJZSA-N 404.442 0.998 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667725 NITXTUWGVQRSCI-HXUWFJFHSA-N 405.499 0.274 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1835668169 WASBJTLQBAVVNM-UWJYYQICSA-N 422.526 0.294 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](N)c3ccccn3)CCO2)C1 1835695514 LQABSXNMENXKHI-UZLBHIALSA-N 401.467 0.088 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)O1 1836605732 KSLCPJKIJQGZLR-RRGPEASQSA-N 422.526 0.482 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1837390884 FJJAXFBAQKYFNX-KGVIQGDOSA-N 423.554 0.500 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837440491 LIIJWIJQFYQRHJ-ASQXLIGLSA-N 422.501 0.807 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837817696 MUKCDZZLLDLSFE-UWJYYQICSA-N 419.478 0.430 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837874622 NOCSKHYHDRWEKB-UZLBHIALSA-N 404.467 0.120 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838331458 CFCYCROUFFNJLJ-NRFANRHFSA-N 419.478 0.373 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838352242 IRKSWGVHWAAGNB-NRFANRHFSA-N 416.478 0.749 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)n[nH]1 1838661273 FUIFARSTNQAKDL-BCVDLATCSA-N 418.498 0.260 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/OCC)C2)C1 1839176198 AWILBZOQIAQNAY-AQDCRGGLSA-N 410.467 0.502 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208512 SUWDIWMAWRVROJ-RISCZKNCSA-N 407.330 0.689 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839223356 SVPCPIOZBVXUQU-KUHUBIRLSA-N 421.454 0.053 30 20 HCED COc1cc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1OC 1839398672 SVKBZLMCBJPTKT-NRFANRHFSA-N 417.462 0.996 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1839846202 LWRGRUWIAMFHQW-BEVDRBHNSA-N 412.483 0.271 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840160110 XHHQCNOEDWBIMB-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840161190 HLCKGJFNCIEQPZ-RBZFPXEDSA-N 419.503 0.318 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269348 ZJMOOBUIYMSXIG-IPJJNNNSSA-N 424.538 0.977 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840356763 CJVYCHIAVHWUFJ-FQEVSTJZSA-N 421.498 0.107 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1840840749 KWVKSPNIQFEMGI-JOCHJYFZSA-N 410.474 0.747 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842056780 MPIHJAWSSPMJPA-KGLIPLIRSA-N 416.478 0.787 30 20 HCED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1)c1cccs1 1844295158 GSVIQSRZYYMNPD-WRFKIARRSA-N 419.503 0.341 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845181930 FYELXEDNDKMHBK-GJZGRUSLSA-N 406.483 0.241 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1845254400 QKGJJDDHYPVOGK-AWEZNQCLSA-N 412.450 0.707 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845913533 LCMLNGPVIOFJJH-FCNSZNEASA-N 413.496 0.296 30 20 HCED N/C(=N\OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1 23656383 XQQAQJVBEPVWTK-UHFFFAOYSA-N 402.476 0.857 30 20 HCED CNC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1C 30359032 CUTQHUVFARSGLG-UHFFFAOYSA-N 405.455 0.906 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCCCN1CCN(c2ncccn2)CC1 45572594 VPCBITKHQXCSCY-UHFFFAOYSA-N 409.498 0.667 30 20 HCED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 62603044 UKQYCAAQPLRWPF-UHFFFAOYSA-N 421.457 0.828 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)Cn3cnc(C#N)n3)c2)CC1 426445077 XYRMANVXHMZEDK-UHFFFAOYSA-N 403.468 0.115 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1=O 430521375 AHUBRQIKCLPRNX-IKGGRYGDSA-N 404.511 0.529 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)n1 436817925 YTJFZPWBSYOACU-UHFFFAOYSA-N 410.434 0.964 30 20 HCED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)N1CCOCC1 438728712 CJDNSPDMVLTVEP-UHFFFAOYSA-N 406.464 0.772 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)nn1CCC#N 439031268 YJEZTVZTPJNGRJ-UHFFFAOYSA-N 420.433 0.984 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cn1 460781887 HOFFVEIKUYTOSE-UHFFFAOYSA-N 401.408 0.618 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)c(=O)c1 461188622 FQRSGSRMZGFKLA-IBGZPJMESA-N 401.492 0.893 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)n1 465335410 LYNNKQPDLYADRC-KRWDZBQOSA-N 408.462 1.085 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C2(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)CCC2)C1=O 467665041 DJQJEFYGUVEAFN-CALCHBBNSA-N 416.522 0.647 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 467710352 HAMGOFWCIIHYHH-AWEZNQCLSA-N 418.479 0.361 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)o3)CC2)c1C#N 471672701 XMLSXEJBQJROAJ-UHFFFAOYSA-N 406.468 0.406 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN([C@@H](C(=O)O)C(C)C)C2=O)cc1 479007776 UOORSVSRSUSVLG-HZPDHXFCSA-N 423.491 0.591 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 481146200 VBXKDHUYFOUKCA-SUMWQHHRSA-N 400.460 0.438 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 485530257 QDMWJYMTIGAXMW-DLBZAZTESA-N 411.480 0.115 30 20 HCED C[S@](=O)c1nncn1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 487251725 NZNYQUCUDLTIEK-LJAQVGFWSA-N 415.435 0.484 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 488327997 WEQWILJDASPHFP-JKIFEVAISA-N 414.462 0.622 30 20 HCED N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2)nc1 490061792 KUYZMLDWZZHKML-ZDUSSCGKSA-N 408.461 0.443 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2OCCOC)CC1 491210988 AZPSSQVIHDUAJA-UHFFFAOYSA-N 422.457 0.236 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491485807 NHUJOIWTDQRDSH-GFCCVEGCSA-N 403.870 0.961 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1=O 500624445 OZLNKDUSOQPIOF-SNVBAGLBSA-N 422.800 0.677 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 508658231 ALNGQCRWTHXHHX-QGZVFWFLSA-N 420.535 0.785 30 20 HCED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@H](C(N)=O)C1 508882475 YEYZZRJWUOMEOM-HNNXBMFYSA-N 418.523 0.905 30 20 HCED COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 508997460 LJGRHMRVBTVESL-UHFFFAOYSA-N 424.413 0.747 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 510316856 AQKISYHHZXEEPA-CQSZACIVSA-N 409.487 0.810 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCC#Cc2ccccc2)c1 510905745 IFTJMGCFHJHGMO-UHFFFAOYSA-N 400.460 0.884 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)N2CCSCC2)CC1 512467846 GKIQVFOMYKTPJM-QZTJIDSGSA-N 407.584 0.719 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CC1 514521464 LELLKEQGTAPEJI-UHFFFAOYSA-N 415.471 0.962 30 20 HCED CCC(CC)NC(=O)[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)c2ccccc2O1 517328496 HILPARKBVMZLNZ-MAUKXSAKSA-N 414.462 0.836 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)nc1 517527367 MFIDFYZQIRVYQV-UHFFFAOYSA-N 419.445 0.984 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)[nH]c21 517884843 UYHVLSPEDDEPKN-UHFFFAOYSA-N 421.461 0.511 30 20 HCED Cc1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1S(=O)(=O)NCC#N 521278213 GCHIHGJGUZKNEL-UHFFFAOYSA-N 404.492 0.928 30 20 HCED N#Cc1ccc(N2CCN(C[C@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)nc1 521343233 YJWAUHUJNJTMDF-SFHVURJKSA-N 406.446 0.953 30 20 HCED C[C@H](C#N)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 531796083 AKZDKURGJZEZER-YPMHNXCESA-N 400.482 0.433 30 20 HCED C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 533129690 FOPICNJWYPOQMB-CYBMUJFWSA-N 414.509 0.007 30 20 HCED CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549426887 LJCSMOIJPDVYMB-UHFFFAOYSA-N 409.494 0.817 30 20 HCED COc1cccc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1OC 550772057 ADOXIZNQBGEJLF-UHFFFAOYSA-N 423.473 0.978 30 20 HCED C=C(C)Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCNC(=O)C1 555254688 UOXUDPMZPNJYGE-UHFFFAOYSA-N 423.521 0.748 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 555268015 CHUFPZSKTPJVPK-UHFFFAOYSA-N 420.514 0.888 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)n1 555988727 WEDWSVFNSDWGBW-UHFFFAOYSA-N 419.489 0.913 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)n1 559720863 YLENYMKPCUESFK-AWEZNQCLSA-N 412.450 0.609 30 20 HCED N#CCNC(=O)CNC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 561471609 VTVHLBHONLBENK-UHFFFAOYSA-N 424.479 0.052 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)n1 562127944 HHVWDIRJUNGXTQ-CQSZACIVSA-N 405.422 0.608 30 20 HCED C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2cnccc2C#N)CC1 565340082 LNGXAHABWZEXEZ-CQSZACIVSA-N 414.491 0.750 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 571110775 PGRUMDGLRAXUNJ-UHFFFAOYSA-N 408.418 0.105 30 20 HCED C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 571813450 KFEWTIRHRNLDOI-ZNNHIBJESA-N 419.463 0.338 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCn3cnc(C#N)n3)cc2)C[C@@H](C)O1 573671026 MBKFNJBXFNAVCD-OKILXGFUSA-N 418.479 0.378 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 577013873 RXENQSZFZXYTRR-CHWSQXEVSA-N 406.555 0.970 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)C2=O)cc1 580851707 IRHGNVPEQKINNO-RDJZCZTQSA-N 406.446 0.567 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)n(CCC#N)n1 582075056 GEZDGLYPDBYOPC-UHFFFAOYSA-N 408.484 0.070 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)C1=O 584582488 PROQOQHRKMFQAL-NSHDSACASA-N 403.424 0.103 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 589895646 PHIPAAKCZGKHGL-SXGZJXTBSA-N 412.450 0.836 30 20 HCED CS(=O)(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 591342094 DHOPEWBRWARUFW-UHFFFAOYSA-N 408.461 0.847 30 20 HCED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)NC2(C#N)CCC2)c(O)nc1=O 604535012 JREBRMBAIGEBPI-UHFFFAOYSA-N 420.470 0.263 30 20 HCED COc1cc([C@@H](C#N)NC(=O)C2CCN(S(N)(=O)=O)CC2)cc(OC)c1OC 609008127 PFAJIJPJVYYGEJ-CYBMUJFWSA-N 412.468 0.309 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCCOC)cc2)c1=O 609333519 DXVHHCUYXDGHQI-UHFFFAOYSA-N 401.488 0.594 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)CNc3ccc(C#N)cc3)CC2)cn1 610159501 BEECXCRGPMXVGV-UHFFFAOYSA-N 402.480 0.673 30 20 HCED CCN(CC(=O)N(C)C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 610213456 NAUXOBYLAYECOQ-UHFFFAOYSA-N 414.466 0.865 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 611557436 BWAQHZJNLVWASJ-UHFFFAOYSA-N 415.458 0.015 30 20 HCED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 682318540 KIKJTQFWUHXNSJ-MRXNPFEDSA-N 422.466 0.256 30 20 HCED C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 727655320 DHOWRMXVBWQIEW-OAQYLSRUSA-N 405.414 0.741 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCOC 732561312 LRBQYCYZKSKCKP-UHFFFAOYSA-N 403.508 0.192 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 733148643 GQYQMDJVOHKABH-UHFFFAOYSA-N 424.423 0.719 30 20 HCED O=C1NCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1cccs1 742846950 FOYRSKQFSXWHQC-MRXNPFEDSA-N 418.500 0.876 30 20 HCED Cn1cc(N2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 746349481 DCMFEHXFOYIHHG-UHFFFAOYSA-N 416.507 0.588 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)n2)cc1 749651798 ZELSDAPDYXBJKY-IAGOWNOFSA-N 409.450 0.116 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1 761033086 QSDAANHMFUCTQQ-UHFFFAOYSA-N 422.536 0.017 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 762076199 ZSCOLQSBFJWCTN-UHFFFAOYSA-N 417.399 0.770 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ccccc2)C(=O)C1 765371028 VVSSEZSDLDCZTD-UHFFFAOYSA-N 412.471 0.991 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCC2(N3CCOCC3)CC(OCC)C2)CC1 767896976 UXZWVXMDQVRYHB-UHFFFAOYSA-N 406.527 0.427 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1OC(F)F 771896619 DQFUFAKQJLDULL-UHFFFAOYSA-N 402.379 0.388 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@H](OCc2ccncc2)C1)c1cc[nH]n1 772283301 MBCSQNPECQPRPF-HNNXBMFYSA-N 401.423 0.906 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CCCO1 773789288 LHGMYAKWHXTEAC-JKSUJKDBSA-N 418.475 0.393 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC[C@H]1O 778896873 DBIKIMSCMSTHJA-ZNAFYTPQSA-N 422.507 0.667 30 20 HCED C=CCNC(=O)COC(=O)c1cc(I)ccc1-n1cnnn1 781970648 MJHQRKJUNLBBGV-UHFFFAOYSA-N 413.175 0.726 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(=O)OCC 782770833 VFLVOYYYWVEZDE-UONOGXRCSA-N 411.480 0.324 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 783012807 IPRJWWVYSSCUOY-UHFFFAOYSA-N 415.537 0.693 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 783348105 SZEQMFKBUPCDQU-UHFFFAOYSA-N 423.491 0.587 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1 783351132 UNVATLNLXVMNEC-UHFFFAOYSA-N 406.464 0.043 30 20 HCED C[C@@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)Nc1cccc(C#N)c1 785649451 AOEPIUCRHWRYBU-WBVHZDCISA-N 414.462 0.609 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cn(Cc3noc(C)n3)nn2)cc1 786320333 YUEJMLHBNHRXGR-HNNXBMFYSA-N 409.406 0.708 30 20 HCED COC(CN(CCCO)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)OC 787279046 ZUWHGEDEHTUWSL-CYBMUJFWSA-N 413.496 0.334 30 20 HCED Cn1ncc2c(=O)n(N=C[C@@H]3CCCN(C(=O)CNC(=O)OC(C)(C)C)C3)cnc21 794488749 LHTCIBOSUFHSLU-ZDUSSCGKSA-N 417.470 0.727 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 798338919 JTJQURMMXYIPDZ-YGRLFVJLSA-N 412.443 0.962 30 20 HCED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 799200639 FDCMBXGWYRCPBY-UHFFFAOYSA-N 412.874 0.771 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(C(=O)NCCO)CC1 805054834 OPSLXANEABWUFR-UHFFFAOYSA-N 416.297 0.830 30 20 HCED CCn1c(SCCS(=O)(=O)c2ccc(C#N)cn2)nnc1N1CCOCC1 808018097 FYTIMVYWTSJXAL-UHFFFAOYSA-N 408.509 0.967 30 20 HCED C=C(Br)CNC(=O)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 809301144 FASSTDQRMCTTPQ-UHFFFAOYSA-N 411.256 0.588 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](O)CC2)c1 815886765 IRJZPRVHCMMPMZ-OTUOZYHDSA-N 422.507 0.811 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(C)CC1 819952896 WHLFDDQYEZOSAP-QGZVFWFLSA-N 421.567 0.648 30 20 HCED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)COc1cccc(Br)c1C#N 1129890320 XZBHVHHMYYUZEL-CYBMUJFWSA-N 424.251 0.980 30 20 HCED N#Cc1cn(CC(=O)NCCC(=O)Nc2ccc(Br)cc2)c(=O)nc1O 1136357066 SKKJUDIBZNSMTP-UHFFFAOYSA-N 420.223 0.728 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)NCC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1205728677 REZMXKYMBJUCEA-YGTFVGLLSA-N 404.511 0.638 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C2CCOCC2)CC1 1300597191 XOWDPUROBMLBKX-UHFFFAOYSA-N 420.535 0.875 30 20 HCED CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1302338364 KUAKHPZVTBBVAP-CABCVRRESA-N 403.487 0.069 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)cn1 1303333793 ZLGNCWWYZWJPDJ-KBPBESRZSA-N 402.398 0.825 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318598038 BYGGMXHAECOSTJ-QGZVFWFLSA-N 411.462 0.108 30 20 HCED N#Cc1ccc(-c2nnc(CN[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)o2)cc1 1319609321 WZMNKSNBSZQNRB-JKSUJKDBSA-N 403.464 0.196 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1326207704 VXAKCDLGUQFKRB-AEFFLSMTSA-N 416.503 0.242 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)c1nccn1Cc1ccccc1)c(=O)n2C 1344531054 MBADHJYOKSESTC-OAHLLOKOSA-N 417.429 0.555 30 20 HCED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1542483318 PFASNEQBEMNRAZ-WIYYLYMNSA-N 412.494 0.961 30 20 HCED CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1555807570 YCBQOPFYMWNPDM-AWEZNQCLSA-N 415.541 0.355 30 20 HCED COc1ccc(Br)cc1C[C@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1C#N 1639915923 JYVKUBLWFSNHON-JTQLQIEISA-N 423.267 0.979 30 20 HCED CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1696598812 ZEYYTQNLJXHJFU-JKSUJKDBSA-N 410.482 0.994 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cn1 1706890679 PJNAEESPYJPNFU-BXUZGUMPSA-N 409.447 0.199 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)CCOC1 1728817621 MMWPOCYLGNNISX-YOCHRMAFSA-N 423.539 0.960 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCC1 1730763198 RTQFQVHWRIXISC-OAHLLOKOSA-N 411.528 0.852 30 20 HCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1741879072 YIMSUBGMACJPLK-WBVHZDCISA-N 401.515 0.937 30 20 HCED CC[S@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1747450871 OJGQBGMSRKAPLR-OIJAAMDRSA-N 403.468 0.423 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cc1 1761500313 IOZJRWVCPOHVMD-IUODEOHRSA-N 408.459 0.804 30 20 HCED CCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101590 RQHKGCGECWOPQR-NOKSLSCPSA-N 419.482 0.876 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncon1)C2 1779442899 RFWMJULGHYHTQC-RBYVANAVSA-N 401.423 0.909 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1780243143 DWPBVQGXIKWWPT-QFIPXVFZSA-N 421.457 0.718 30 20 HCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CNC(=N)N)C3)c1 1781103325 QLGYYEQCCYGXKG-OXQOHEQNSA-N 416.457 0.308 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnc3ncccc23)C1 1781300825 FBRJAEBOGJBHJZ-VGOFRKELSA-N 422.441 0.845 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1781361881 IQAZFAJWNREOHW-WMZHIEFXSA-N 424.501 0.942 30 20 HCED C[C@H](Nc1nccs1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010541 YMDYZZKMZZXRQF-IQUTYRLHSA-N 420.491 0.545 30 20 HCED CCn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1C 1782013562 VSVUTKOSBFKFOW-OXQOHEQNSA-N 402.451 0.427 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1783156794 QDUUIJJPHUDDEF-PGRDOPGGSA-N 410.474 0.457 30 20 HCED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1783663216 MDAGDFSKEPVHFS-FQEVSTJZSA-N 409.483 0.190 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1783682016 UIKCXJREFJWKQN-TUUVXOQKSA-N 405.524 0.542 30 20 HCED COc1ccc(OCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1783780187 VVVMHMNGILZOBO-WBAXXEDZSA-N 416.430 0.142 30 20 HCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cncn1 1784472899 IFDZEYHXTFAJRI-VPCWJJEPSA-N 403.487 0.141 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785249503 BCEKIVHCBMGLAV-HOSILWTGSA-N 408.524 0.433 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857930 FQHSLGHKVWMGHB-ULQDDVLXSA-N 421.542 0.163 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]3C2)CC1 1788529453 CTYNDIGIPXYKBX-SRVKXCTJSA-N 403.357 0.375 30 20 HCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nn[nH]c3C(F)(F)F)[C@H]2C1 1789359705 VVSUPMGYGZAYST-DCAQKATOSA-N 400.361 0.721 30 20 HCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)cc1 1790143457 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N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839083430 UCFCAZMDFGHQKL-FIKGOQFSSA-N 418.494 0.148 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212599 FIPBEIAMYAQUII-AVRDEDQJSA-N 419.522 0.832 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=C(C)OCC3)C2)C1 1839224341 JJPHAKPSBVXXMV-UZLBHIALSA-N 409.483 0.938 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)nc3ccc(F)cn13)CCO2 1839527376 LJRAHYSMWJFNAU-HXUWFJFHSA-N 400.410 0.485 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(Cc4ccccc4)c3)C2)C1 1839809054 OSZHMORMVSSOQY-JOCHJYFZSA-N 408.458 0.635 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839840931 OEZCJJDYMMJRSX-YRISNDGFSA-N 402.495 0.750 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1839886998 TZSAEPYSQNSRRT-KDOFPFPSSA-N 417.453 0.569 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1)C(F)(F)F 1839893932 YTWVKHMBGAMSSU-INIZCTEOSA-N 402.373 0.907 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839961182 XFRQBYHVLQZRCM-OFNKIYASSA-N 414.502 0.850 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(c4ccccc4)CC3)C2)C1 1840039953 FDLQHTKRXRGCJZ-NRFANRHFSA-N 412.442 0.263 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840842983 MUPUXRXXUDQSHZ-JOCHJYFZSA-N 423.473 0.751 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)C1 1841541425 UZMXHMKLBNFXKN-SJORKVTESA-N 417.506 0.831 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796889 WWGUREDKEIIODB-AWEZNQCLSA-N 406.446 0.917 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1 1845485705 IRRJWXSALOXRAC-HNNXBMFYSA-N 404.398 0.579 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c(Cl)c1 1845487464 YFSYTYRYEZTFIE-UHFFFAOYSA-N 415.837 0.580 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H](O)c1cccc(Br)c1)C2 1846196216 AEILHVBCEJWLLI-INIZCTEOSA-N 421.247 0.774 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 110438781 YQVFUCWSZZSZFY-INIZCTEOSA-N 408.524 0.468 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CCC1 430986116 ZKSHOWFGYUJJIY-UHFFFAOYSA-N 413.499 0.909 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 432723749 CCMISGGDTKFYAE-UHFFFAOYSA-N 402.838 0.893 30 20 HCED CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 439381705 BXEJNKLQPVODNR-MRXNPFEDSA-N 414.853 1.319 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)c2)c1 440521138 ZKZGNNCKMGIPFU-KRWDZBQOSA-N 406.398 0.997 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C 464854646 GLRWCTMZYXGXRO-CYBMUJFWSA-N 412.454 0.408 30 20 HCED CNC(=O)N[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 466929849 UKLHIUPYROHDEU-ROUUACIJSA-N 402.474 0.538 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C(C)C)cc3C#N)CC2)cn1C 469159593 YWVAVLQKMAVDQK-UHFFFAOYSA-N 419.511 1.417 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 471463892 CFDGXNKFCMZKIC-QAPCUYQASA-N 408.462 0.971 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc([S@](C)=O)c3)CC2)c1C#N 472894218 YXXKTQLWFXGWOB-LJAQVGFWSA-N 414.491 0.625 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CN3CCN(c4ccccn4)CC3)CC2)c1C#N 472996559 DYSLFVNNHLTEDC-UHFFFAOYSA-N 408.510 0.466 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CC(O)(CC#N)C2)cc1 476826447 REQDZNTWCMDWKO-NVXWUHKLSA-N 421.519 0.595 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 479972992 UNNXPXWSFKPMLV-INIZCTEOSA-N 420.535 0.796 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 481778891 LPXULZAKKGYJIU-WMZOPIPTSA-N 419.551 0.463 30 20 HCED N#CCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 483799628 CVSPUDITKZRYFK-UHFFFAOYSA-N 402.436 0.785 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 485412760 UZBRHRKRZBNKGP-UONOGXRCSA-N 401.492 0.662 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CCn3nnc4ccccc4c3=O)C2=O)cc1 486019051 UTZMXXRAJKMUMZ-LJQANCHMSA-N 416.441 0.971 30 20 HCED Cn1c(N[C@@H]2CN(c3ccc(Br)cc3)C2=O)c(C#N)c(=O)n(C)c1=O 488718897 HLVUQRVXUKFLMV-GFCCVEGCSA-N 404.224 0.545 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cscn2)c1=O 497576143 BKFBZROQAOPBCS-UHFFFAOYSA-N 404.517 0.384 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 503706982 YZFCMFODAMNZDJ-UHFFFAOYSA-N 421.928 0.884 30 20 HCED C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 504024103 UKHPLXUGUVKDGV-HUUCEWRRSA-N 421.519 0.799 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)C2=O)cc1 505666297 XCECIVKKWWDMPY-UHBFJLORSA-N 418.453 0.977 30 20 HCED CCn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 507176366 FVHXAKLJAUVTRD-UHFFFAOYSA-N 400.414 0.567 30 20 HCED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 517974500 XQPQBJIQPGSFNT-IBGZPJMESA-N 422.489 0.879 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)ccc1F 520624403 FQWRDXQSIIJEGD-UHFFFAOYSA-N 416.478 0.118 30 20 HCED CCn1c(CCC(=O)NCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 522205839 HZYRMEVKPACEJJ-UHFFFAOYSA-N 405.480 0.649 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 531161209 ONZPLBNBVAAADU-LBPRGKRZSA-N 403.870 0.961 30 20 HCED COC(=O)CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 532485255 WYGBJIGVSCBFCR-CYBMUJFWSA-N 409.464 0.406 30 20 HCED COCCN(CCCN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C#N)cc1 533912248 RARMGTHISKAUIR-UHFFFAOYSA-N 408.480 0.916 30 20 HCED COC(=O)C1(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCOCC1 540992139 VEXORYOTOPEZIJ-CQSZACIVSA-N 402.455 0.538 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)C(=O)NCC2 543609676 PXBKNSQBBQXQCL-ZDUSSCGKSA-N 412.471 0.827 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 553958788 QVQGOVBTZZLREK-LJQANCHMSA-N 408.510 0.751 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1CC 557363656 VGYCBNORDJADRW-UHFFFAOYSA-N 416.459 0.876 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 558667464 OAJUIKIBIRTMSS-UHFFFAOYSA-N 423.477 0.624 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 563694866 CQAMUCFUVCVQIO-OAHLLOKOSA-N 409.412 0.960 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 564246779 OKLUXJADAYBXHX-UHFFFAOYSA-N 407.442 0.584 30 20 HCED C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 565376748 YNRNGHAXRSVNHZ-SQGPQFPESA-N 415.538 0.931 30 20 HCED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 575208541 SANZVGLDVJRDLY-AWEZNQCLSA-N 409.494 0.700 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cc1 578308656 JZUQSTKYXCUDBH-AWEZNQCLSA-N 407.492 0.824 30 20 HCED C=CCN(CC(=O)O)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 580060518 BIKVSTXESSHLRW-UHFFFAOYSA-N 418.493 0.277 30 20 HCED CN1CCN(C(=O)C2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)CC1 608925121 QDOQMBLRUIMYKC-UHFFFAOYSA-N 421.505 0.952 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1C#N 616005529 UKGHYRYPGZMPAX-UHFFFAOYSA-N 423.433 0.218 30 20 HCED C[C@@]1(c2ccc(CNC(=O)NCCNc3ncccc3C#N)cc2)NC(=O)NC1=O 726241992 RKQXZWWQOCOJDB-FQEVSTJZSA-N 407.434 0.919 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 729763539 PWKKYQZBLJXISW-UHFFFAOYSA-N 424.475 0.468 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731862010 WNTGKXFYZMOHFE-VLGSPTGOSA-N 404.448 0.407 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 731886727 DESDQURSUTUOQG-HTXNQAPBSA-N 415.406 0.688 30 20 HCED COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1-n1nnnc1C 732430471 IHVKWVMKBIBLKO-WUKNDPDISA-N 412.410 0.627 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@H](C)CS(C)(=O)=O)C1=O 733200471 DBFLQZDWIMEDRU-ZYHUDNBSSA-N 414.509 0.591 30 20 HCED N#CCOc1ccc(CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 733958090 BWOKDDRXCCIUKN-UHFFFAOYSA-N 400.464 0.766 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 734225304 ZSPFUHDCLQFQES-UHFFFAOYSA-N 408.414 0.169 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1 744110553 APRFCIGCOPNVPB-UHFFFAOYSA-N 405.436 0.056 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 746564584 GNHPGAYAQQVHNR-UHFFFAOYSA-N 420.433 0.467 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)OC)CC1 746811779 SFEWGWCEMXMRTA-AWEZNQCLSA-N 405.426 0.872 30 20 HCED COc1cccc([C@H](O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 749643734 JMCDTENARUKMLV-GOSISDBHSA-N 420.429 0.995 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 749666233 ZXWDTSUHOIDWPP-OAHLLOKOSA-N 417.437 0.874 30 20 HCED C=CCNC(=O)NC(=O)CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O 750968622 TYTJVTMPMKBICY-LJQANCHMSA-N 415.406 0.422 30 20 HCED CNS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 751567894 SVKOSCHECXTUDI-XDJHFCHBSA-N 416.525 0.767 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Cl)c(N)c(Cl)c1 754711694 UYGYPCSUPISGSH-UHFFFAOYSA-N 420.278 0.676 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758066741 CEYAYKIZRXZDJK-UHFFFAOYSA-N 409.515 0.207 30 20 HCED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 760194809 MEVXEFWMPUFSPD-UHFFFAOYSA-N 405.398 0.641 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O 761369966 BPQWUSDADGLAQI-CHWSQXEVSA-N 424.454 0.104 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)CN3CCCC3)c2)cc1 765366581 OQGXYOMBRUHSAG-GOSISDBHSA-N 411.462 0.929 30 20 HCED CC(C)(C)c1nnc2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn12 769300356 WYDBHTGOEMBRIS-ZDUSSCGKSA-N 403.464 0.606 30 20 HCED O=C(Cc1noc(C/N=C2/NS(=O)(=O)c3ccccc32)n1)N1CCSCC1 771390294 SNCQEZBKICGYEM-UHFFFAOYSA-N 407.477 0.426 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)c3ccccc3OCC#N)ccc21 774927239 YOOWIBFTEKTURY-UHFFFAOYSA-N 400.416 0.898 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(C(=O)O)CCOC1 776681082 LPLSNBUXRIWEBI-SFHVURJKSA-N 409.464 0.645 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 780065730 XXMGTPQWHVKBTL-RDBSUJKOSA-N 408.480 0.750 30 20 HCED COC[C@H](C#N)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 783695557 VJMBBPMDSMUSDL-LBPRGKRZSA-N 421.431 0.657 30 20 HCED CN(C)S(=O)(=O)c1ccc(CC(=O)OCC(=O)N(CCC#N)CCC#N)cc1 796179031 NFLUYJKUDZQSLY-UHFFFAOYSA-N 406.464 0.679 30 20 HCED N#Cc1ccc(NCCNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)nc1 799364139 ZZRKJIZEEWUPHU-UHFFFAOYSA-N 424.433 0.921 30 20 HCED COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 805330967 WZZCBJXHBAUMQD-LLVKDONJSA-N 410.448 0.815 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 809310769 RUGLYIQIMFOFLD-ROUUACIJSA-N 417.893 0.850 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 812711810 BVZSJNJBGUUKPV-OAHLLOKOSA-N 418.431 0.790 30 20 HCED CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249385 NQBWYJRMXDOURV-UHFFFAOYSA-N 409.462 0.809 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 815860621 UBFUJJJELLDUAP-QGZVFWFLSA-N 421.519 0.649 30 20 HCED CN(C)C(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)CC1 816126599 LXXXHOMJOOGKON-UHFFFAOYSA-N 409.424 0.665 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1cccnc1 915290158 QYWLISUNPFVWOO-UHFFFAOYSA-N 401.448 0.056 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 915654301 PJFAWFWGXFAQEV-QGZVFWFLSA-N 402.476 0.594 30 20 HCED COCCN1C[C@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1=O 918538654 KSQXNLQXDYQBFN-LLVKDONJSA-N 419.381 0.877 30 20 HCED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 1109414713 IAPXOYMLANZQEX-JGLNRKDHSA-N 401.511 0.912 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)C2)cc1 1116600172 AEQPADDULIXMMB-AWEZNQCLSA-N 416.459 0.313 30 20 HCED CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1306549135 LKSQQVPWGRCGAZ-ZNMIVQPWSA-N 403.487 0.510 30 20 HCED N#Cc1ccccc1OC[C@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1307604013 RJQWJNCQOHJCFX-MSOLQXFVSA-N 409.508 0.424 30 20 HCED CC(C)(CC#N)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1311380606 MFSSWUIOIQRXCF-UHFFFAOYSA-N 408.528 0.772 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cccc(OCC#N)c1 1318464253 JJVDTAXSLWFLBN-UHFFFAOYSA-N 418.475 0.878 30 20 HCED C=CCN(C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1321928566 PIMCEZPXCCRZNO-QGZVFWFLSA-N 419.503 0.527 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(F)c2F)N(CC(=O)NCCOC)C1=O 1324334292 QRSSFJGCDQZCSF-GFCCVEGCSA-N 414.434 0.795 30 20 HCED COC(=O)[C@@H](NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(C)C 1329997671 BGEBTLWCARZGIW-KSSFIOAISA-N 401.419 0.768 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1332226712 SINVBMAVZHEEBY-ZMSDIMECSA-N 404.492 0.745 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1342211421 IILYZUKFKHIXIM-UHFFFAOYSA-N 422.511 0.248 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2nn[nH]n2)C1 1455134473 SLFLGYHYZMTRIA-JSGCOSHPSA-N 417.495 0.669 30 20 HCED 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Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834229881 CWSNTBFNSBIAMV-QFIPXVFZSA-N 423.473 0.604 30 20 HCED Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1[N+](=O)[O-] 1834765783 KLDUJQIQYLAUHB-FQEVSTJZSA-N 416.434 0.816 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)[S@](=O)c1ccccc1 1834767516 SQCAXQFKNMKWEB-NEGSUBRYSA-N 419.503 0.553 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1835360378 ZOPSQGQCHRJDDL-OAQYLSRUSA-N 424.461 0.845 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561584 WBBPHPWFSXUWFM-IQTGRTGDSA-N 414.462 0.807 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(O)cn3)CC2)CC1 1837586708 LMCGOTLOFTZUPO-UHFFFAOYSA-N 401.419 0.487 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(C)c3)CCO2)C1 1839307027 AORPJFRQXOZKGU-HTAPYJJXSA-N 416.474 0.809 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519011 PYXNPJVLZPUWOZ-KKSFZXQISA-N 418.494 0.948 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c(O)n1 1840814429 IYJFLNJLDCTLQP-NRFANRHFSA-N 414.462 0.860 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845266972 NFZUCJVKCNNFIB-OAHLLOKOSA-N 416.482 0.398 30 20 HCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846230065 QGKPERJELCPXRO-IFXJQAMLSA-N 406.483 0.864 30 20 HCED Cc1cn(CC(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)c(=O)nc1O 1846970597 FISZNKWNLHLMEE-ODCIPOBUSA-N 413.434 0.173 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847811255 KJMLJTNQTWGZCW-ILXRZTDVSA-N 404.423 0.549 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(S(C)(=O)=O)CC1 1847828837 XIRRRZLNPJADCB-JYJNAYRXSA-N 417.597 0.814 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C1CC1 9787715 RZXADTLLMJSNEZ-LJQANCHMSA-N 418.475 0.857 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)c1 47032675 SULKMWYDACDTIE-UHFFFAOYSA-N 400.464 0.632 30 20 HCED Cn1c(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c(C#N)c(=O)n(C)c1=O 47254693 ZSDBUFRGODSTEG-LLVKDONJSA-N 402.842 0.859 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)c1 410152981 FZRYHTKUJUFBNP-DLBZAZTESA-N 424.479 0.210 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 410156159 WWPCJXGQZYHOLE-AWEZNQCLSA-N 418.541 0.115 30 20 HCED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 426471801 UBTUOOGZVNQPAN-BRWVUGGUSA-N 404.492 0.771 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434761113 ZLASURBOZVZWGA-HNNXBMFYSA-N 423.491 0.902 30 20 HCED N#Cc1ccc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1O 442966439 OKUWMAYTVPLREQ-KRWDZBQOSA-N 407.492 0.615 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 444315813 LHUJMJAFQUVBSK-CJNGLKHVSA-N 413.521 0.651 30 20 HCED CCN1CCN(CCc2noc(-c3ccc(-n4ncc(C#N)c4N)cc3)n2)C(=O)C1=O 460834354 AJDAASLLUGNRGN-UHFFFAOYSA-N 420.433 0.609 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 465200965 SAAAKKVHYWNUOK-CABCVRRESA-N 406.512 0.447 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 465855122 AJDSFUWEJAYWRW-UHFFFAOYSA-N 411.528 0.872 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)c1C#N 471707898 XIBVMEVZDBBTDD-UHFFFAOYSA-N 413.482 0.504 30 20 HCED Cc1ccc(C(=O)NCCCCN2CCC[C@@H]2CO)cc1S(=O)(=O)NCC#N 476444202 OIMBHYYFWKWYBM-QGZVFWFLSA-N 408.524 0.764 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 476449503 ZCOGJQOYAPWNSI-IRXDYDNUSA-N 404.492 0.576 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1 479853778 UFPMHZHNCXNRLE-AWEZNQCLSA-N 400.464 0.364 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 489009509 IWFZTBQDRYNZJG-ZBFHGGJFSA-N 411.483 0.592 30 20 HCED N#Cc1ccc(N2CCC(C(=O)N3CCN(CCS(N)(=O)=O)CC3)CC2)c(F)c1 499874662 PDHUURQRINSTOB-UHFFFAOYSA-N 423.514 0.346 30 20 HCED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)cc1 504876419 PRBLIKZRYCLJFG-UHFFFAOYSA-N 408.414 0.952 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 505160926 XPERLCKLQHJMIA-INIZCTEOSA-N 407.430 0.816 30 20 HCED C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)O1 508351575 WTTVPOQEWMLQOM-GASCZTMLSA-N 411.466 0.514 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(F)ccc2N2CCOCC2)C1=O 508735379 HUSQJVUCPRZEHI-GOSISDBHSA-N 418.469 0.524 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1CC=C 511081862 KSSJEKYIAWNOPX-UHFFFAOYSA-N 409.467 0.672 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccn4)c3)CC2)c1C#N 530414901 YFYLRHJBHDWKDV-UHFFFAOYSA-N 419.449 0.468 30 20 HCED N#Cc1ccnc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1Cl 553271001 AGUOPLUCOQDWPV-UHFFFAOYSA-N 406.899 1.566 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCO1 555028690 RAXYFIXAFTYQQK-QGZVFWFLSA-N 409.402 0.657 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 555240247 JONXDMLFNDTFOR-CQSZACIVSA-N 406.516 0.581 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](c1cccs1)N1CCN(C)CC1 558564826 VUMKEIITJVEMHJ-MRXNPFEDSA-N 415.585 0.733 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCN1CCN(c3ncccn3)CC1)CC2 559503645 ZKOUSLRTYHXLDP-UHFFFAOYSA-N 405.462 0.176 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)N3CCC(C)CC3)CC2)c1C#N 560766723 XAHDUEZICAZHRE-INIZCTEOSA-N 415.542 0.485 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)c3ccccc3C2)c1 561407572 WPKZIXUAYMXWNE-UHFFFAOYSA-N 419.484 0.653 30 20 HCED COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)n1 562257497 VLYNZVFVDCXIDO-GFCCVEGCSA-N 404.448 0.954 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)C2=O)cc1 565098799 QTWBUBVXOKRNAF-DYESRHJHSA-N 412.446 0.188 30 20 HCED CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCCn2cnc(C#N)n2)cn1 568613553 CQSROPOWOYUIMV-UHFFFAOYSA-N 400.424 0.561 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1 570439466 NTPIASFNHNZQHM-QGZVFWFLSA-N 416.459 0.737 30 20 HCED CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577555687 PZTFZKDJJAHBPB-RBUKOAKNSA-N 411.506 0.574 30 20 HCED C[C@@H]1C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C(=O)N1c1cnn(C)c1 589892147 DSBOXYMFMYUWFO-PBHICJAKSA-N 408.466 0.712 30 20 HCED CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603590225 BKGVLCWWDNDPAT-HNNXBMFYSA-N 407.496 0.886 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2C)CC1 603826108 NBMLBVXJAMYLSD-UHFFFAOYSA-N 400.479 0.253 30 20 HCED CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 604441391 PIVCYGXYKRQPCU-UHFFFAOYSA-N 411.510 0.821 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O 604527799 JBHGKSJSRKMKHO-MRXNPFEDSA-N 413.409 0.511 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911828 RHXIPYBPBBNONL-UHFFFAOYSA-N 414.443 0.422 30 20 HCED COCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 610485797 AYAHMPPXICKYBQ-UHFFFAOYSA-N 408.524 0.690 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)n1 612850116 PQPHMHKIEZHDOX-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NCC(=O)N2CCN(C(=O)C3CC3)CC2)cc1 615044650 MGKQEMIAZFBLDI-UHFFFAOYSA-N 420.535 0.986 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 729257865 URSPQYBPOLRKSS-UHFFFAOYSA-N 407.474 0.194 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 735576393 GLUVPYAMOSRBSC-NXVVXOECSA-N 407.452 0.384 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2nccn2CC(F)(F)F)c1=O 738156167 KTYYWNBFIPZVTJ-UHFFFAOYSA-N 414.388 0.392 30 20 HCED CCOC(=O)c1csc([C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 744072369 RWQGRNSBIBIGCA-OJGWYHNPSA-N 403.416 0.658 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 746421583 YSJCHHXNRQHJHM-UHFFFAOYSA-N 411.378 0.238 30 20 HCED N#C[C@@H]1COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 748342703 PVAWBTFJUWSLOV-KGLIPLIRSA-N 405.432 0.375 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)CC1 752623733 OMUOOPABPTWDBP-UHFFFAOYSA-N 415.490 0.753 30 20 HCED CN1CCN(C(=O)CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758336270 DHBHUSXQLGKKDZ-HUUCEWRRSA-N 408.503 0.209 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 761815387 NOCJPKWHLBSZCF-ZDUSSCGKSA-N 421.500 0.737 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 762189385 CQDOBXUAUYQOQT-MRXNPFEDSA-N 401.463 0.452 30 20 HCED C[C@H](NC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)C(=O)N1CCCCC1 762668495 DGQRCHDRDVOOLY-LBPRGKRZSA-N 416.434 0.648 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 762705999 JJAGBBLINQTEKO-HNNXBMFYSA-N 411.418 0.879 30 20 HCED C#C[C@H](C)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 769645833 PDBOQHSGTSDXHV-INIZCTEOSA-N 421.519 0.788 30 20 HCED CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 779893943 YJPJSCCMTATDBB-UHFFFAOYSA-N 405.929 0.999 30 20 HCED COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 781527456 OCUSVBJKPZWJIF-SFHVURJKSA-N 403.345 0.935 30 20 HCED C#C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 784849972 LLZXEGMNDITYDF-AWEZNQCLSA-N 423.491 0.571 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(CCC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 786424273 PBVFFFSRRAQSPV-INIZCTEOSA-N 406.460 0.380 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ncccc1S(C)(=O)=O 787614875 GZOMRDVVJPAXDX-UHFFFAOYSA-N 405.407 0.891 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 787774318 HAJNKQIQTNXHMI-DLBZAZTESA-N 400.483 0.241 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)c(C)o1 787777206 YZNIRQQNNWCHKJ-UHFFFAOYSA-N 424.461 0.676 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 787790018 IJVWUFWKNSSHGW-UHFFFAOYSA-N 403.446 0.960 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1=O 798546367 VUKOKQWGXLLKCZ-OAHLLOKOSA-N 403.460 0.852 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2F)c1=O 799933994 IXXKTIVGFYCWQJ-UHFFFAOYSA-N 417.462 0.486 30 20 HCED CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NCCC#N)(S(C)(=O)=O)CC1 803968271 TYNXZKNAZNFIJG-UHFFFAOYSA-N 417.484 0.374 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1 804555394 OTGWDPRSEASVCO-KUHUBIRLSA-N 418.475 0.191 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)[C@H](C#N)C1 816099652 YZPQMTBVLHQSKY-CHWSQXEVSA-N 401.485 0.455 30 20 HCED Cn1c(=O)n(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)c2ccccc21 816126562 KMKFSKIBDYSEQA-UHFFFAOYSA-N 415.387 0.625 30 20 HCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C 839277535 GMHONVWVWXBASH-UHFFFAOYSA-N 409.471 0.721 30 20 HCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c1=O 917355028 KZCILPWBTAREJS-UHFFFAOYSA-N 401.536 0.944 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(CCN(C)C)n1 1006389142 PVZHJFLRSXZNMW-LIEJCIORSA-N 401.511 0.898 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[C@](O)(CC#N)C3)CC2)c1 1163162531 HWUVWEMWOGQULV-LJQANCHMSA-N 406.508 0.324 30 20 HCED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1C#N 1190303221 MRRSXASCYYKESC-UHFFFAOYSA-N 420.538 0.145 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1 1306855542 RJYUXOBZBLDIAR-CYBMUJFWSA-N 404.414 0.979 30 20 HCED CN(C)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314634934 MFZPRWDVVBUMPE-JKSUJKDBSA-N 414.514 0.274 30 20 HCED Cc1c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1-c1ccccn1 1318814139 MRCAACRTAKRZSF-WUKNDPDISA-N 402.436 0.380 30 20 HCED C#CCNC(=O)CN1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1332844558 VDHGNLUVWGOJRE-QGZVFWFLSA-N 402.458 0.591 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1512583210 QLVPORNYSSMDJN-QXGSTGNESA-N 423.539 0.850 30 20 HCED CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1517583814 IVHWSAMGCKYSRX-HNNXBMFYSA-N 423.481 0.238 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CCO1 1618693558 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C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1785014501 HLDXFPTXFHKWKL-MRHSLFKSSA-N 404.536 0.980 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(F)cc3)[C@H]2C1 1786492211 NXIKBSYRMJQVLO-JQFCIGGWSA-N 404.394 0.272 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CN)c3ccccc3)[C@H]2C1 1786922132 QJPUGXUKGBKPIX-MQBSTWLZSA-N 413.518 0.747 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790642654 QZGULZZLNOVADG-XAJHFOFHSA-N 406.487 0.620 30 20 HCED C[C@H](CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)Oc1ccccc1 1790702339 ILVAJCXYXAIOHN-NEPXVJNWSA-N 414.458 0.912 30 20 HCED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1791442471 ZSGRNKUEVXVYOP-IAGYGMIVSA-N 408.495 0.776 30 20 HCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1792171201 KWDAYHZNFHPKFK-QAETUUGQSA-N 423.510 0.265 30 20 HCED 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C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1833474176 YNZYKXATTKWTID-CRAIPNDOSA-N 424.542 0.212 30 20 HCED CC(=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834385730 ZPGNMIZCYIOLDY-UHFFFAOYSA-N 403.523 0.846 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(CC)n3)CCO2)C1 1834406888 OTBWPLQJXBKPAN-UWJYYQICSA-N 420.510 0.546 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835248669 VDTQZARIKVZJEQ-QGZVFWFLSA-N 406.426 0.317 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835331829 YAFILPROUACPPC-KRWDZBQOSA-N 420.432 0.677 30 20 HCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CC1 1835481405 XGIKEAPZOOKNMU-UHFFFAOYSA-N 416.570 0.109 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)on1 1835672477 CITHNJLSWXUZOE-FQEVSTJZSA-N 419.482 0.335 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1835679895 BRBWKIKOSLHFFL-KKSFZXQISA-N 415.494 0.888 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835795854 PGQNJMICFWUTHW-IFXJQAMLSA-N 424.523 0.368 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835913436 ARBVDWVBYNUZOV-UGKGYDQZSA-N 414.506 0.821 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836042172 RYEQEAKXNCTHQY-UZLBHIALSA-N 423.535 0.715 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1)C(F)(F)F 1836074424 ALWLHTGVTYWBLK-MRXNPFEDSA-N 418.372 0.495 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)s1 1836077045 WPPYLXAIKQJLAV-LJQANCHMSA-N 404.492 0.259 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837396311 AVMDEPUWFDJOGG-UTKZUKDTSA-N 421.469 0.864 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3Cl)CCO2)C1 1837775444 XESGLIFLCIKWJM-YWZLYKJASA-N 421.881 0.843 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3Cl)CCO2)C1 1837884053 STAVOFIIQNPBBZ-QRWLVFNGSA-N 421.881 0.843 30 20 HCED C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838393377 PWOKMUXLPFSFKD-HAFIMRKLSA-N 421.542 0.591 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C(=O)OCC)c1F)CCO2 1838539043 CCRTTXUGIHCSMW-NRFANRHFSA-N 418.421 0.706 30 20 HCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1OC 1838840398 MFNKKMLGKAHHAF-IBGZPJMESA-N 404.423 0.082 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)CCO2 1839032711 PAAYNKBAZJUKOO-NRFANRHFSA-N 408.495 0.834 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1839223685 DQVQBXJFSCIUMZ-KXBFYZLASA-N 407.471 0.291 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1839226810 DYDGLGMQPLNWMK-FOIQADDNSA-N 420.466 0.658 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839530809 JQKHNDMSJZWPQZ-PXNSSMCTSA-N 422.551 0.854 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839680190 AOXXZHSZCFSNSE-AUUYWEPGSA-N 411.455 0.554 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1839840811 MRSNOOLJYFRDCH-GHTZIAJQSA-N 409.527 0.377 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839842018 JFMINNZDXHQUCR-CXAGYDPISA-N 422.400 0.761 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncccc4c3)C2)C1 1840042788 OLSBOSHGGSJQDI-QFIPXVFZSA-N 423.425 0.393 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1840171848 CRBYZLKJCYJMES-RXVVDRJESA-N 402.447 0.859 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840174130 JUOROPHXSCALBX-OAQYLSRUSA-N 411.462 0.913 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840428743 VKNQGQPMZKAVHM-DYESRHJHSA-N 400.479 0.389 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448374 NNWKNUCKGXYEON-RXVVDRJESA-N 417.510 0.893 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)c3ccccn3)CCO2)C1 1840500207 YHFQKGGUIOTXRQ-NJNPRVFISA-N 415.490 0.680 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566305 GSXFOJHGWSZPMP-DYESRHJHSA-N 411.543 0.356 30 20 HCED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1840930306 RAOZICAWMXSMBV-QFIPXVFZSA-N 418.538 0.869 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CN3C(=O)C=CC3=O)C4)c2c1 1845582641 BOJDCJRJLJDHCB-UHFFFAOYSA-N 418.413 0.177 30 20 HCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194934 HKJIQUFLNDGAJC-UHFFFAOYSA-N 408.414 0.791 30 20 HCED CCOc1ccc(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc1OC 1846266408 ZLQOIPJYLQOVEX-UHFFFAOYSA-N 400.431 0.928 30 20 HCED CC(C)Oc1ccc(C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)cc1C#N 1846878224 PQAXXLCAXFFEJO-UHFFFAOYSA-N 409.450 0.849 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 409511544 QFUNVFWWEIQMMV-GXTWGEPZSA-N 409.472 0.570 30 20 HCED CCn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)N(CCC#N)CCOC)cn1 410400171 HVMHNMGCAXSBKE-BZQUYTCOSA-N 403.530 0.115 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(O)nc1=O 428814435 RVNBKWATFIENLP-AWEZNQCLSA-N 412.450 0.790 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)cn1 437102436 ZUXKVHJUJJOYDH-ZBFHGGJFSA-N 421.461 0.985 30 20 HCED CC(C)C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)Nc1nccs1 442163754 BYRQKTAMCCIIOV-LBPRGKRZSA-N 403.468 1.361 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)c1 448524098 DUPJIZGHHPXJHO-UHFFFAOYSA-N 415.479 0.158 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCN(c4cccc(F)c4C#N)CC3)c2n(C)c1=O 465041267 ZXUZINOXCPSVFG-UHFFFAOYSA-N 424.436 0.398 30 20 HCED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 470554176 WGXONPQJIKLWKD-DOTOQJQBSA-N 415.475 0.690 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 471314917 BZNZFZSUWLMFMW-DLBZAZTESA-N 410.492 0.176 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F 473014897 LNQNFRBQAKYLQS-CYBMUJFWSA-N 422.428 0.612 30 20 HCED CNC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 475768697 OKVRIJXHXKYMJZ-GOSISDBHSA-N 400.460 0.782 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(CC#N)C2)c1 478321445 WPMPTJXOKCDBSD-INIZCTEOSA-N 406.508 0.909 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 481033913 KNSKXFBPIAVHLR-QWHCGFSZSA-N 414.509 0.905 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(C)C 481985825 ZDBZKPSUJSEONV-UHFFFAOYSA-N 416.528 0.765 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486642767 VHLMNXAAHNLEJG-INIZCTEOSA-N 414.443 0.819 30 20 HCED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 494261687 HTEKHMXJHAPOEY-MWDXBVQZSA-N 401.529 0.466 30 20 HCED Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1C#N 498562650 WDXBNJWVXXTEIH-UHFFFAOYSA-N 419.419 0.839 30 20 HCED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 499204159 UHLFFLFVRZAPRM-JTQLQIEISA-N 409.240 0.311 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)n(C)c1=O 499298429 BLKWKDMQQZYZMP-UHFFFAOYSA-N 406.446 0.887 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cn2)CC1 502799882 UPQQASMGDUOSOL-UHFFFAOYSA-N 422.898 0.983 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 507702285 BOIUUZLNDBHQBE-OAHLLOKOSA-N 405.499 0.865 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NC3CC3)nnc12 508240038 MBIHBYYNIDEEAY-UHFFFAOYSA-N 412.475 0.717 30 20 HCED C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508882650 ZBCUPUVBGXUMGZ-HNNXBMFYSA-N 418.461 0.668 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)c(F)c1 509664636 CBNUAKNWJIUFBU-UHFFFAOYSA-N 424.479 0.856 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 511119819 AWWBFKVUSJOSQN-MSOLQXFVSA-N 413.588 0.282 30 20 HCED C=CCN1CCC(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 518528616 MWFHTAGMXVAWCP-UHFFFAOYSA-N 407.540 0.816 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)NCC1CCC1 521017418 UICLMFYHDLAMII-UHFFFAOYSA-N 418.523 0.986 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)ccc2F)c1=O 522649160 XVLPPWDJJZLFBP-UHFFFAOYSA-N 401.463 0.809 30 20 HCED C=CC[C@H](CO)CNC(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 527346522 SCFCAIPYJRSBDO-NSHDSACASA-N 402.439 0.331 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 534405379 MCANVBCRYPOQTL-UHFFFAOYSA-N 422.869 0.215 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)c1 537810343 JLWDXRYBKAKRSP-HNNXBMFYSA-N 401.510 0.305 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 539197499 KEIFRTYJKFPFNY-UHFFFAOYSA-N 415.479 0.323 30 20 HCED CO[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cnn(C)c1 545258221 BENTVAWFDRTBIM-KRWDZBQOSA-N 403.464 0.512 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 550187883 HJGLONIBDXTLSX-XIRDDKMYSA-N 418.469 0.781 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)cc2)c1N 552220962 UEDUPPBFLMMLSD-UHFFFAOYSA-N 416.445 0.782 30 20 HCED COCCOCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 556330459 BCYZCRRIJSSIMJ-UHFFFAOYSA-N 417.422 0.234 30 20 HCED Cc1cc(Cn2nnc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2C)no1 557011659 MVLHXXPMCVDOAP-UHFFFAOYSA-N 409.454 0.807 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 558121062 AKNWFIVORCVQQD-HNNXBMFYSA-N 423.539 0.985 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(OCC(N)=O)c2)cc1 574947813 TWNNRVFBLCOMGU-UHFFFAOYSA-N 402.432 0.017 30 20 HCED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1=O 577572955 RRHLDHYVTUKAFX-CQSZACIVSA-N 412.454 0.572 30 20 HCED CN(C)C[C@@](C)(C#N)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 582522133 XEGUOFKFMPEOEH-LJQANCHMSA-N 408.524 0.600 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccccc1 584691628 QCKAXZFXGBHQRM-CQSZACIVSA-N 400.464 0.364 30 20 HCED CC(C)(C)OC(=O)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587648260 VEKOZRJQWCOYEC-UHFFFAOYSA-N 401.467 0.886 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)NCC(=O)NCC#N)sc2c1CC[C@@H](C)C2 588720719 RRCJXAQXMQWSPL-SNVBAGLBSA-N 406.464 0.744 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604140509 LPEQENXICCKWHD-UHFFFAOYSA-N 417.447 0.740 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 605134424 MBHZKYVPYHGEPY-INIZCTEOSA-N 403.464 0.420 30 20 HCED C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 609009457 YYQBMCWBUJTJTN-IERDGZPVSA-N 408.414 0.864 30 20 HCED N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cn1 609641421 YUVHDQCYGRBGGZ-OAHLLOKOSA-N 420.472 0.671 30 20 HCED COCCN(CCC#N)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 610392196 QPVVRMCKVHDOKD-UHFFFAOYSA-N 410.496 0.508 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnc2c(c1)COCC2 611476257 GTPLAGVUMJMVDX-CYBMUJFWSA-N 407.434 0.492 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnc(C)s2)c1=O 725763707 SYMLTWCPXZRUCF-UHFFFAOYSA-N 420.560 0.987 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(CN3CCCC3)cc2)CC1 728570346 AARNFFUAACJYQL-UHFFFAOYSA-N 411.550 0.266 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 729281830 PNOJAULPFBVPCJ-MRXNPFEDSA-N 416.909 0.977 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 731763364 MWTFFCSOKSKJEK-UHFFFAOYSA-N 417.447 0.740 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1ccccc1)N1CCOCC1 732445576 NYOMHTKPUJBMQM-NRTINQSCSA-N 413.478 0.886 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3cccs3)c2=O)cn1 732564329 KUXCDVDTESEPCE-UHFFFAOYSA-N 413.528 0.679 30 20 HCED COc1ccc(C)cc1-n1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n1 732909414 BHRXMHVWDPFXMV-AWEZNQCLSA-N 416.459 0.769 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2nnnn2C2CC2)cn1 742214106 VDLDDUDZCLMSFU-GFCCVEGCSA-N 403.472 0.492 30 20 HCED COC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 742790904 IVXXIQSESIIDAH-INIZCTEOSA-N 402.432 0.541 30 20 HCED C[C@H](C(=O)OCC(=O)NCc1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745442895 LYRQSEVNZIRFCH-WGSUBKMSSA-N 411.414 0.269 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 747381188 SEONLAQELIYLTL-UHFFFAOYSA-N 415.885 0.277 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCO4)c2=O)c[nH]1 753361330 LWVFGBNBTHVXGS-UHFFFAOYSA-N 420.406 0.769 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)CC2CC2)cc1 755075198 LJHXXPAQNCOKCN-AKKXKAEUSA-N 422.507 0.715 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(c2cccnn2)CC1 758170439 DSDSLRNZQYAVOV-UHFFFAOYSA-N 414.491 0.690 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758367151 XXUCRVXCNAENMV-QWHCGFSZSA-N 417.532 0.763 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2=O)cn1 761165030 DTTVJIHCSWPTQD-UHFFFAOYSA-N 400.370 0.275 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C#Cc3ccc4c(c3)OCO4)CC2)o1 761226711 HXHPBFZSBSIJFR-UHFFFAOYSA-N 422.397 0.827 30 20 HCED CC(C)N(CCCNC(=O)CON=CC(=O)Nc1ccc(F)cc1)S(C)(=O)=O 762693039 RINMDDZVVSHCOY-UHFFFAOYSA-N 416.475 0.943 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)cc1 769635796 POGDFFOPAVAZQP-UHFFFAOYSA-N 404.429 0.649 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2cn(CC(=O)OC)nn2)c1 770706011 YSMYMNFPDGCONV-GFCCVEGCSA-N 408.436 0.833 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 770834696 QAGUSRPBOKQHIK-FNHZYXHNSA-N 417.487 0.826 30 20 HCED C[C@H](CC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 770890355 SGMKZALCFFGTSG-LPMFXHHGSA-N 407.492 0.958 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O)c1cc[nH]n1 772303358 PCPMDWXNLCGJAI-KBPBESRZSA-N 414.484 0.508 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(-n4ccnc4)nc3)CC2)nc1 786003920 POOOFDVIJWFZPG-UHFFFAOYSA-N 416.445 0.499 30 20 HCED CCOC(=O)CON=C(C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1cc[nH]n1 789948662 CJIDZYFYUUVDKZ-KBPBESRZSA-N 409.487 0.698 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 790815340 MWXCJIJHQQSSBQ-UHFFFAOYSA-N 415.537 0.605 30 20 HCED CN(CCCC(=O)NS(=O)(=O)CC1(C#N)CC1)C1=NS(=O)(=O)c2ccccc21 793195087 FOPDAVJFIXRUKP-UHFFFAOYSA-N 424.504 0.597 30 20 HCED CN(CCC#N)S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796196917 IMUORKSGYCGUSF-OAHLLOKOSA-N 401.533 0.704 30 20 HCED N#Cc1ccc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 798405803 FTVUKFZILDAZSZ-WCVJEAGWSA-N 412.450 0.823 30 20 HCED C#CCN=c1nc(N(C)CCc2cnccn2)[nH]c(N(C)CCc2cnccn2)n1 804589147 FXRCGPUSPWRVHQ-UHFFFAOYSA-N 404.482 0.276 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)CC1(C)OCCO1 807422864 GUKCQZUTIYSGNZ-HNNXBMFYSA-N 401.467 0.507 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1)[C@@H]1CCCO1 809311462 VDRPLBIKYOPBEC-ROUUACIJSA-N 407.511 0.453 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 815338455 AXAPUKZUADBHNE-HZPDHXFCSA-N 421.475 0.613 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCO)CC1 819916292 UFALWSDMOJBBQE-INIZCTEOSA-N 408.524 0.420 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)c1 915266324 JPDDMQXRLNVQJW-INIZCTEOSA-N 420.535 0.271 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C(=O)NCCCC)CC[C@H]2C)c1=O 921052164 BANOYGBAAROXSZ-IAGOWNOFSA-N 419.526 0.518 30 20 HCED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2OCC)nn1 983115873 SJKJJMYNGJIMQA-JFIHLENRSA-N 415.494 0.481 30 20 HCED CC[C@H](CC#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1116594722 MMXGYOKWMAQFAK-HIFRSBDPSA-N 401.510 0.577 30 20 HCED N#Cc1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 1166406719 MRKJAWVUDFNLTI-UHFFFAOYSA-N 401.448 0.928 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnn4c3OCCC4)C2=O)cc1 1189888519 JSEJDIMVGHAZFD-HNNXBMFYSA-N 401.448 0.617 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1303367482 UILIIKMMFYLWIT-IBGZPJMESA-N 407.494 0.969 30 20 HCED CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1314256287 ZOGINIUXDYKMKD-YFTKNLTDSA-N 414.532 0.557 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4CCOCC4)CC3)CC2)o1 1319325838 DLSSTKSRPJSDFE-UHFFFAOYSA-N 402.499 0.300 30 20 HCED CS(=O)(=O)NCCc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1322711298 NZBLTZUHVIFQBR-FBMGVBCBSA-N 406.464 0.035 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 1343362052 SGYHLOVZRSDTDH-DOTOQJQBSA-N 414.462 0.291 30 20 HCED N#CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 1353643348 JDUZJRARZCWRQJ-HNNXBMFYSA-N 416.459 0.909 30 20 HCED CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1359441567 PTRZWBJUUFCEEZ-UHFFFAOYSA-N 420.481 0.741 30 20 HCED CN(CCN1CCN(c2ccccc2)CC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1465387207 WROIGRGHJKGVHL-UHFFFAOYSA-N 410.478 0.491 30 20 HCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1503831306 VIJQQHTWRPXPBL-UHFFFAOYSA-N 409.516 0.193 30 20 HCED CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1517765820 WXRYPAFCEOKMMS-CQSZACIVSA-N 404.496 0.933 30 20 HCED CN1C(=O)C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(F)c(F)c1 1558400807 KCEZTOCJTIIKJV-XJKSGUPXSA-N 403.345 0.187 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccc(C#N)n3C)CC2)cc1 1585243828 ZAYYDWQJGIZDSP-UHFFFAOYSA-N 415.519 0.942 30 20 HCED CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1614523943 NCWYHTFBFROWDW-CZUORRHYSA-N 400.480 0.853 30 20 HCED CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1690908365 UVAIHCVGXLVGHA-QGZVFWFLSA-N 416.507 0.966 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1692663506 LCHFKOZACJFHCK-HNNXBMFYSA-N 418.523 0.942 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1698307138 SXNMNKWAVCUTNB-UHFFFAOYSA-N 409.493 0.096 30 20 HCED CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1710187179 NJACGUOUTUNLQV-YOEHRIQHSA-N 407.475 0.887 30 20 HCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1729745143 HKSPTLOAZZXLTM-UHFFFAOYSA-N 409.516 0.080 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1=O 1748063203 TZIIYXYEAWFEQS-UHFFFAOYSA-N 420.477 0.983 30 20 HCED C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)C1 1751277587 XVEWNTNTYPFTEW-GOSISDBHSA-N 409.441 0.912 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCSC1 1761502904 UCROWTIANVOCSC-AVGNSLFASA-N 400.530 0.370 30 20 HCED C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763219115 TYCYHALOKVLADR-KUHUBIRLSA-N 417.491 0.591 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)CCO1 1771537730 UOSZQUIHJYBSJW-DLBZAZTESA-N 422.555 0.785 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777963052 DIVCWYSRVHARBA-JTSKRJEESA-N 416.522 0.925 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1778968762 VLILLVZOJDUDTD-IIBYNOLFSA-N 409.527 0.696 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1778972524 WFQLCXFGRYCRRQ-TWOQFEAHSA-N 422.551 0.416 30 20 HCED Cn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100323 BDEPWPPTDFCPHR-PGRHHKCQSA-N 405.455 0.393 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1779226635 GHBDUMVUDAAFBD-YWZLYKJASA-N 421.881 0.982 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1779612194 XEQKSGZINKYDMQ-ZRHASKPBSA-N 423.420 0.580 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c(Cl)c1 1781967650 QGLYSINECFWXDB-SFHVURJKSA-N 404.858 0.138 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1C(N)=O)C2 1782181181 YDPFLTJJKPJNRH-BBEJJTJUSA-N 406.508 0.626 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782786476 FDIPGEYCUCHROS-MGPUTAFESA-N 418.450 0.799 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1783054079 CEAMPZYJXFDLBD-BTYIYWSLSA-N 414.462 0.085 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)F)C[C@@H]21 1783530086 FCHOVGVVYHTANL-JJVDHKILSA-N 403.401 0.777 30 20 HCED COc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1OC 1789545385 MWMBBCCJVQCSJM-MPGHIAIKSA-N 416.430 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1CCN(C2CC2)CC1 447413869 QUWKNFQSZQGUBW-UHFFFAOYSA-N 407.478 1.377 30 20 HCED C=CCCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 448379554 YZVDITCAGYEBSJ-AWEZNQCLSA-N 411.480 0.783 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 462087638 AKJZWMOGQAPWQQ-AWEZNQCLSA-N 403.468 0.993 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 462283972 PIQDHRKRSSBABY-UHFFFAOYSA-N 405.484 0.114 30 20 HCED C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 465821308 YQJSAPGONAEASK-DZGCQCFKSA-N 408.480 0.176 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)n1 468613659 UFGOHKAHLMGJEY-UHFFFAOYSA-N 414.853 1.260 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)CC2)c1C#N 471709279 NEUVWFYDPRXRIR-UHFFFAOYSA-N 416.507 0.813 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472052955 GMVAIKJBZCWTIB-QGZVFWFLSA-N 416.574 0.705 30 20 HCED Cc1nc(CN2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)n[nH]1 476406050 COLRGFMZUMLGGF-SFHVURJKSA-N 407.478 0.820 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cc(Cl)c3=O)CC2)o1 477522780 OYYWRFPXGGVLIF-UHFFFAOYSA-N 406.786 0.927 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)COc2c(C)cccc2C)CC1 478449589 LSMYZQCGLIRZCI-GOSISDBHSA-N 416.522 0.633 30 20 HCED CCCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481220785 LZXSTHFOMOYKRN-CZUORRHYSA-N 424.548 0.995 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481234277 YKDUQFWYHYICFB-CJNGLKHVSA-N 424.548 0.995 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)OC 481762493 UBAKKEVEBAYLMY-CYBMUJFWSA-N 400.453 0.420 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C#N)cs2)c1=O 481973882 AMRXRQFKVUORBX-UHFFFAOYSA-N 414.512 0.615 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2cnccn2)cc1 483462388 WATDJDOFYWHZGC-GFCCVEGCSA-N 402.436 0.714 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 484616039 KJVGOGOCBSWWCQ-UHFFFAOYSA-N 402.495 0.603 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 489106407 WFAZIBAXTRIFAX-OAHLLOKOSA-N 417.505 0.983 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 494685784 LYULJDIEMNXCPJ-INIZCTEOSA-N 402.480 0.696 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1=O 500497168 SEURXKWFPXDSLO-MRXNPFEDSA-N 421.475 0.658 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 502236158 XGIAEEIDBCQOIM-RTBURBONSA-N 411.506 0.718 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 508511496 UVKDDKHTKSIJSE-AWEZNQCLSA-N 410.544 0.996 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508917955 LIEMYEKXALHSMS-UHFFFAOYSA-N 423.543 0.741 30 20 HCED Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NCC(=O)NCC#N 508975019 ASAIUQDFUWNHPY-OKILXGFUSA-N 413.478 0.808 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 509105840 BQDGSIBWFLCIIL-AWEZNQCLSA-N 401.510 0.859 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(C(N)=O)C3)CC2)cc1 512434328 WEZGXVSUUPELQT-HNNXBMFYSA-N 405.480 0.182 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cn1 517869621 KNNAUPMFTBZVFF-UHFFFAOYSA-N 400.464 0.528 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 523052251 KBSAGMKNCCATRS-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 533545316 JWEDAIJPUGVJTO-OAHLLOKOSA-N 403.426 0.797 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CCO1 534912039 BBTYFMITSLPYCY-MRXNPFEDSA-N 411.418 0.700 30 20 HCED Cn1cc(C#N)c(=O)n(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1=O 534978993 XNSYNCWDVJDZGV-UHFFFAOYSA-N 400.395 0.388 30 20 HCED Cc1nc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)ccc1C#N 538595455 FIDAHGFHGIJYRC-UHFFFAOYSA-N 414.443 0.836 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1Cl 539339381 VXBZNCSVRHQOIR-UHFFFAOYSA-N 419.869 0.153 30 20 HCED CCOC(=O)C1(O)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 541364341 FLPBXPIDLSVYPD-UHFFFAOYSA-N 419.434 0.439 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)cc1C(F)(F)F 548224871 GOIFSSUVHYXCJS-JTQLQIEISA-N 405.354 0.788 30 20 HCED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(C)C(=O)C1 548853910 QKOJZSAWTVXUBA-UHFFFAOYSA-N 423.521 0.701 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549287966 QWIXVJPXHHMFSO-AWEZNQCLSA-N 414.470 0.920 30 20 HCED Cn1ncc2c(N3CCN(C(=O)C(=O)N4CCc5ccc(C#N)cc54)CC3)ncnc21 550569058 LXPFRQOGBQEEOI-UHFFFAOYSA-N 416.445 0.473 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCN1CCc2ccccc21 551096469 FZWKQTQFMRMZDL-UHFFFAOYSA-N 409.494 0.824 30 20 HCED N#Cc1ncn(CCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 552673101 RPGLKOCFMKGZBD-UHFFFAOYSA-N 405.436 0.291 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)CN1CCOCC1 552881475 ZALBHNNZONROGH-INIZCTEOSA-N 417.485 0.430 30 20 HCED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 553909353 PKIZCDFAQSHGNK-CYBMUJFWSA-N 406.555 0.971 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)C1=O 559381656 WDWQCXYIQJNFAX-CVEARBPZSA-N 420.535 0.483 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)CC1 563459948 YZXGJYFLCSOORE-UHFFFAOYSA-N 400.468 0.732 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1-c1cnn(C)c1 566760216 JLVVVZQUIIOMHV-UHFFFAOYSA-N 420.477 0.971 30 20 HCED Cc1cc(C)n(CCCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 568655442 BLURYUXYTFSELW-UHFFFAOYSA-N 412.498 0.269 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 583039115 WARPQPXUUNASBE-CABCVRRESA-N 406.483 0.455 30 20 HCED COC(=O)C1(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CCCCC1 584264245 OXSCQXZGNFAVIW-UHFFFAOYSA-N 416.478 0.544 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617015739 OFKPOLANBVFDBS-INIZCTEOSA-N 421.523 0.676 30 20 HCED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 619849390 XJBOPBIJQZYCLL-BBRMVZONSA-N 400.480 0.709 30 20 HCED Cn1ccnc1[C@@](O)(CCNC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)(F)F 726982109 KMPDUTHWAJBVGC-KRWDZBQOSA-N 409.368 0.978 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 731526963 ZHWTWSOTYXNLKX-GFCCVEGCSA-N 415.406 0.904 30 20 HCED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910921 WJSSPIHIVGMQTQ-CVEARBPZSA-N 403.460 0.001 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 743888761 DASCUGGRBLHVMO-UHFFFAOYSA-N 402.426 0.199 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 744589423 OQLWORHVEXVXCI-SPLOXXLWSA-N 413.430 0.293 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2cnnc2C1 746600540 BYOBWZAYERAAPD-CQSZACIVSA-N 402.480 0.774 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)CC1 747991634 LVOGGJAJRSYUSI-UHFFFAOYSA-N 404.854 0.626 30 20 HCED O=[N+]([O-])c1ccccc1S(=O)(=O)NN=C1CCN(CCN2CCOCC2)CC1 748248283 KNTVFWXLUUTJOC-UHFFFAOYSA-N 411.484 0.657 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O 751630298 GKCGVMKJUSAKNY-XIKOKIGWSA-N 402.432 0.989 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1CCOC 752192849 BCDFAUFGYXDUOS-UHFFFAOYSA-N 406.533 0.604 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)c1 756779526 YNYPJDWNUFTDRH-SFHVURJKSA-N 422.441 0.893 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 757595089 RXQVZLPPPTUKIY-YPMHNXCESA-N 412.443 0.962 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 761030210 FCYDJJNWJJHGFX-HNNXBMFYSA-N 422.507 0.194 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 761520430 BIRQWTWFGDPMBT-UHFFFAOYSA-N 404.442 0.399 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CCO2)c1 762012274 ZJXGUXUIVWEJEN-GOSISDBHSA-N 408.414 0.961 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)nc2n(C)c1=O 762300831 WYCZTOXTPVIJAR-KRWDZBQOSA-N 405.414 0.718 30 20 HCED CSCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccn(C)c2)c1=O 763465347 IJZPESSHKVPVCG-UHFFFAOYSA-N 404.561 0.887 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 764036093 YBTDZMYVMPESFS-OAHLLOKOSA-N 406.420 0.194 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(C)(=O)=O)c1 766600863 GNOAEBSGHFQNHL-UHFFFAOYSA-N 407.473 0.792 30 20 HCED N#Cc1ncn(CC(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)n1 769142837 HLYCSOADNORCKZ-UHFFFAOYSA-N 421.440 0.722 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)cc1 773157848 LMUIERZBXRWAOQ-CYBMUJFWSA-N 407.481 0.322 30 20 HCED C[C@H](OC(=O)C#Cc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 773461333 SYENZNHQDUHEAE-HNNXBMFYSA-N 400.456 0.976 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCCN(CC)CC)c1)[C@@H]1CCCO1 773792967 JXIKMGBGDOGFAD-OALUTQOASA-N 414.506 0.994 30 20 HCED C=CCS(=O)(=O)CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 783618322 OZQDWNOBMZSWGX-CMDGGOBGSA-N 421.519 0.617 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCCNc2ncccc2C#N)C[C@@H](C)O1 785869340 JRPNXXFHFUKXML-GASCZTMLSA-N 402.499 0.485 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787757570 FKXMNZVKNXGCEK-HNNXBMFYSA-N 416.482 0.997 30 20 HCED CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)NCCNc1ncccc1C#N 787790508 NBYOYGMIKDWFBH-UHFFFAOYSA-N 402.499 0.298 30 20 HCED COCCNC(=O)CSc1ccccc1C(=O)NS(=O)(=O)CC1(C#N)CC1 793206317 ZGLBPVAEQLKSGU-UHFFFAOYSA-N 411.505 0.905 30 20 HCED C=CCN1CC[C@@H](OC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1=O 798577572 BSWYTIALAOKPGW-OAHLLOKOSA-N 411.480 0.209 30 20 HCED C[C@@H](C(=O)OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cnc(C#N)n1 798825379 DFCKYIBJQUOYSS-JTQLQIEISA-N 403.424 0.581 30 20 HCED C#CCN(CC#N)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 800972486 LKBFPZWEHHQXRI-UHFFFAOYSA-N 406.439 0.277 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)c1 803563240 IVBOMBLIAQWXLD-UHFFFAOYSA-N 415.435 0.490 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1 806967944 XIZHSRLIUXQYGN-UHFFFAOYSA-N 412.443 0.401 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1)[C@H]1CCCO1 809304954 TVIXBIJYDODHSM-ZWKOTPCHSA-N 401.438 0.797 30 20 HCED C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 812214709 RETPGVIPIKIBCI-ZIAGYGMSSA-N 417.557 0.171 30 20 HCED CCc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C)c2)c1=O 839355336 OPHLDLXUKLFVST-UHFFFAOYSA-N 419.510 0.977 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 1309054862 KSKORQUYLQMWSZ-UHFFFAOYSA-N 408.299 0.681 30 20 HCED CN1CCC(C#N)(NC(=O)CCSCCC(=O)NC2(C#N)CCN(C)CC2)CC1 1318640651 HWDQXBHANZRZIO-UHFFFAOYSA-N 420.583 0.708 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C1 1325356748 LQXCITANLBQESQ-UONOGXRCSA-N 404.471 0.646 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccccn1 1360715993 ZCPLHPVODSMOIN-ZFWWWQNUSA-N 405.484 0.255 30 20 HCED N#Cc1cccc(OCC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1467267609 RTVJQLIHQMBGRB-UHFFFAOYSA-N 420.413 0.914 30 20 HCED 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C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 116671640 VXIKESAKJGYJQT-MRXNPFEDSA-N 408.462 0.971 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 410138675 SUFFAIKIMXETQG-IRXDYDNUSA-N 414.915 0.772 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCO1 410401681 NPXQUVSNSWNSQV-DZGCQCFKSA-N 418.313 0.659 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 425958931 PPVUIFHOPSMZGS-INIZCTEOSA-N 410.478 1.245 30 20 HCED C=CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 432806435 PFIWMPSUANPZAE-GFCCVEGCSA-N 402.498 0.539 30 20 HCED COC(=O)[C@@H](O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 438218918 WQTJVLYURBELMD-INIZCTEOSA-N 409.464 0.183 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 439407748 IWKGMCWZSZNVCI-UHFFFAOYSA-N 408.480 0.068 30 20 HCED N#Cc1cccc(CCNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 440134440 GJTUCGKLKMWJQA-UHFFFAOYSA-N 405.414 0.907 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1=O 440283461 OGKXTHPEEPUFMH-HNNXBMFYSA-N 408.480 0.121 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC23CCC3)CC1 441196240 LXXYNEBLHRLLRJ-UHFFFAOYSA-N 418.519 0.646 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 441954296 GPGNXRHFGCEKFT-LBPRGKRZSA-N 401.513 0.789 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CCN(C)C2=O)CC1 445262622 WJTPPQJWVZVULJ-CQSZACIVSA-N 404.492 0.696 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCOC[C@@H]1CCCO1 460586209 QXWQJQFPILNFJT-INIZCTEOSA-N 412.450 1.088 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCN(CC(F)F)CC2)cn1 460729596 UGIQJDKEEWUCSE-UHFFFAOYSA-N 403.393 0.877 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)C1=O 461267967 WMBMVNJLBYMZPF-ZFWWWQNUSA-N 405.838 0.851 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cccc(OCC(N)=O)c2)cc1 464158154 HZNWBJPGZBMBPC-UHFFFAOYSA-N 401.444 0.654 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 470321689 CBMYSYATMZFQLD-GDBMZVCRSA-N 416.507 0.744 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 471001878 UDUFBNNYRNBYIX-HNAYVOBHSA-N 403.531 0.805 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 480997115 HQFTZBZFAOSYNU-CYBMUJFWSA-N 414.509 0.872 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3C(=O)[C@H]4CS(=O)(=O)CCN4C3=O)C2)c(F)c1 484443490 HAYIQUIDSJMZNC-XJKSGUPXSA-N 406.439 0.727 30 20 HCED O=S1(=O)C[C@@H](N2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)[C@@H](O)C1 498974898 PRXZRRAIZKVWSU-SJORKVTESA-N 418.437 0.712 30 20 HCED COC(=O)[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 507747114 KINOWOMFDNTGQD-KRWDZBQOSA-N 401.444 0.737 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 508944872 HPTUCUOYWNIQRE-GHMZBOCLSA-N 424.449 0.579 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(C)c2)c1=O 523476800 NFJIPLPZXRNHDH-UHFFFAOYSA-N 401.488 0.512 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1C#N 525892597 FEFQTCVIBKIKQI-GJZGRUSLSA-N 400.483 0.813 30 20 HCED COCCn1nc(C)c(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 533135812 RUMLTYTXUIRUPU-UHFFFAOYSA-N 411.466 0.700 30 20 HCED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2=O 540456415 UNWTVMATOHJQGB-BLVKFPJESA-N 401.471 0.755 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 540790281 NYWSYHHXQZYGLM-UHFFFAOYSA-N 414.384 0.899 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)Nc3cnn(CC(=O)NCCO)c3)n2)c(F)c1 542957933 UXHFZNNKGIYGJC-UHFFFAOYSA-N 412.385 0.832 30 20 HCED C[C@](O)(CNS(=O)(=O)c1cccc(Br)c1C#N)CN1CCOCC1 553503088 LFCQUZUOAQJQGI-HNNXBMFYSA-N 418.313 0.682 30 20 HCED CCCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 553586421 MCCYBOCKZOJUHR-HNNXBMFYSA-N 413.521 0.652 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 559639878 JFQSUBBKOCYSTF-UHFFFAOYSA-N 408.374 0.785 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@]2(CCCOC2)O1 568453798 IISQGMJGIRDNLY-JLTOFOAXSA-N 410.434 0.874 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1 579178601 HPULBOUUWQQNRO-NSHDSACASA-N 407.356 0.830 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 588123827 LRZALNNHJNMZDO-UHFFFAOYSA-N 401.442 0.214 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 609594752 CNLHXXDBCADJRU-INIZCTEOSA-N 413.521 0.918 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610841024 WIOUKWNEWGHJRJ-XJKSGUPXSA-N 411.480 0.650 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 611240122 NXRZKRLGZZDEPC-UHFFFAOYSA-N 417.535 0.934 30 20 HCED C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 642188236 AFZGNJUJBPBBEM-CALCHBBNSA-N 402.561 0.383 30 20 HCED COCCNC(=O)C1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726584166 AGZOSNRAXQDAFE-UHFFFAOYSA-N 413.478 0.755 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1 731126878 NRRQDTOWVUVLDM-UHFFFAOYSA-N 408.414 0.169 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCCCC2=O)C1 732773426 SNRUVRDIXWCMFO-CQSZACIVSA-N 404.492 0.729 30 20 HCED C[C@@H]1CN(C(=O)COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 733832273 HYFZZLMAMAUUJU-CJNGLKHVSA-N 414.418 0.554 30 20 HCED CCOCCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742660115 WWBOJLXZNZZKJC-HNNXBMFYSA-N 408.524 0.684 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)cc1 745151840 RQIANIMVLAEZOT-UHFFFAOYSA-N 423.472 0.880 30 20 HCED C[C@H](CC(=O)OCC(=O)NC[C@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 745498298 VMXNUEDLIHNVRJ-CHWSQXEVSA-N 409.464 0.342 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 747424367 YRVGEQPTVIVPLO-UHFFFAOYSA-N 413.459 0.944 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 747849836 FMZKCHYWCCBJBU-UHFFFAOYSA-N 413.521 0.087 30 20 HCED COc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1F 751835736 FLGYWEZCSHTTAX-CYBMUJFWSA-N 410.423 0.763 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)cc1C#N 752378349 KBFRVCFNAXAMIT-ZDUSSCGKSA-N 403.439 0.902 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 755298218 SFQJVYFZMYUTTG-CQSZACIVSA-N 417.433 0.605 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 761038521 VZFDJGQBQQSGBN-MRXNPFEDSA-N 424.486 0.309 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)CCCN2CCOCC2)C1 766077635 PMWJUHRIFDRIFW-LSDHHAIUSA-N 402.517 0.387 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)[C@H]1CCCO1 773058334 TYCZDBVAPQAJNE-JOQOYGCGSA-N 407.448 0.209 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(=O)O)CC1 776643101 CBBWKNBKXOOVNW-CQSZACIVSA-N 423.491 0.722 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCNc2ncccc2C#N)[C@@H](C)O)cc1 779500143 PNCQUTGGRHISBZ-PBHICJAKSA-N 417.491 0.518 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)CC1 779761060 HGHPREJPPILNPS-HNNXBMFYSA-N 405.480 0.915 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(C#N)cn3)cnc21 781058266 MIPJJRMWICQTNN-UHFFFAOYSA-N 402.212 0.476 30 20 HCED Cc1cc(C(=O)NCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1[N+](=O)[O-] 782689629 URVHOOIPANZSDV-FBMGVBCBSA-N 401.379 0.276 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 783347566 PUWYWJMDNYQVTE-HNNXBMFYSA-N 409.508 0.735 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 783481908 RIYZZXRXONRYFE-INIZCTEOSA-N 400.460 0.768 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 783495003 HANZSKLADSFQEX-LSDHHAIUSA-N 402.451 0.917 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 785157854 BMKVBBZGHKDFBG-UHFFFAOYSA-N 410.268 0.990 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 787268934 JNUKSUDXOPUTBY-CJNGLKHVSA-N 414.466 0.507 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C1CN(C(C)=O)C1 788357294 GLXFPZHOKFCAEV-UHFFFAOYSA-N 412.402 0.388 30 20 HCED C=CCN1CC[C@H](OC(=O)CNS(=O)(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1=O 798562416 KODIURDJRZNIET-AWEZNQCLSA-N 412.424 0.245 30 20 HCED C[C@@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)n1cnc(C#N)n1 798742367 MJFOSCIBSCMNFR-JTQLQIEISA-N 400.351 0.373 30 20 HCED C#C[C@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 806103864 SYUYPOTVPOATRH-HNNXBMFYSA-N 422.507 0.687 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1COC2(CCCCC2)O1 806699738 OWGMGYVUHMQVHI-ZDUSSCGKSA-N 404.471 0.447 30 20 HCED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2cnnn2-c2ccccc2)nc1 809175543 QCVBPHZSJKBPRI-UHFFFAOYSA-N 417.472 0.923 30 20 HCED C#CCN=c1nc(N2CC[C@@]3(CCN(C)C3)C2)[nH]c(N2CC[C@@]3(CCN(C)C3)C2)n1 813635011 ZKWWAUADDZAJFK-FGZHOGPDSA-N 410.570 0.403 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1Cl 815265940 XUWLICQBUWFFAM-NSHDSACASA-N 400.844 0.609 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)Cn1c(=O)cnc2ccccc21 816126995 CFFXSHURFLOCPS-UHFFFAOYSA-N 413.371 0.681 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N(CCN1CCOCC1)[C@H]1CCSC1 820132515 LAYPRZOTIOJFNF-IJYGLTAASA-N 408.524 0.569 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 917249861 CFPDXULWLBLNGS-DJJJIMSYSA-N 420.491 0.865 30 20 HCED C=CCOCCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)n2)O1 1130792592 LSWIGUWDVXXLRP-CSZHATAXSA-N 417.510 0.857 30 20 HCED C[C@@H](NC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2)C(=O)N(C)C 1189781067 WMPMZPCFLUDJSU-MRXNPFEDSA-N 421.501 0.871 30 20 HCED C[C@@H]1CCCN(C(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1263974924 JTWWGUXGCGHOLP-HUUCEWRRSA-N 406.508 0.990 30 20 HCED N#CCCN(Cc1ccccn1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1318504572 ZICFWFDWZODKCQ-HNNXBMFYSA-N 403.464 0.489 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)CC2=O)cc1 1320706711 FPWXYHQMMZUGBF-AZUAARDMSA-N 412.490 0.861 30 20 HCED COC(=O)NC1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1324045452 IRTGPFYKLWUYBS-UHFFFAOYSA-N 408.480 0.852 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](Cc2nccn2C)C1)c1cc[nH]n1 1338903752 VFNAWTGJGRWMNI-AWEZNQCLSA-N 402.455 0.908 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1 1503283023 WRNYJIOSNSCBRG-UHFFFAOYSA-N 404.500 0.804 30 20 HCED C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512518989 RPZMODBDRGYZAM-SOLBZPMBSA-N 414.514 0.907 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)N1CCN(S(N)(=O)=O)CC1 1589101120 UJSUYTNXTWTXCD-UHFFFAOYSA-N 403.258 0.047 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1618605873 UKNZMWYCLKRVDW-CQSZACIVSA-N 409.487 0.568 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)N3CCN(CCC#N)CC3)c2)CC1 1658599655 SRIIAJHETNWXPI-UHFFFAOYSA-N 420.539 0.686 30 20 HCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1711393838 QCXUUHKSNUIDOV-KRWDZBQOSA-N 414.466 0.716 30 20 HCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)C1 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0.994 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)C1(O)CCC1)CCO2 1829729982 CNHDNZODAOGZTK-GJYPPUQNSA-N 414.568 0.948 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1831386577 AQPVQLQQDAFJMX-GJYPPUQNSA-N 414.449 0.917 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1831419484 MMMCEXICQMKVCA-GCJKJVERSA-N 423.554 0.766 30 20 HCED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831485792 KZPKUWKGHFNCLJ-FUHWJXTLSA-N 404.529 0.060 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1832431401 SNSXBHDTRRALRT-IBGZPJMESA-N 405.382 0.366 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)cc1 1833168207 YFCVVFKOSBJNEZ-QFIPXVFZSA-N 421.457 0.661 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833384853 NJKBCJPCWVHAEX-INIZCTEOSA-N 420.510 0.049 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833522039 GMQLEEMZOAPLLO-HZPDHXFCSA-N 423.558 0.870 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 1834018941 LBOBMAAOENGMSG-OXJNMPFZSA-N 404.467 0.953 30 20 HCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C1)CCC2 1835361534 OMAOUCASROEWCB-FQEVSTJZSA-N 401.467 0.283 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835421317 KTHCSHOEKCJUQO-PGRDOPGGSA-N 424.538 0.833 30 20 HCED CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)CCO1 1836271899 VFFCLQPHMDWVPC-NRFANRHFSA-N 420.510 0.419 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]n4)CCO3)C2)c1 1836353032 DLHFNAFXPWKSKE-IBGZPJMESA-N 414.397 0.199 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)c1 1836488485 XZQOKLUIRXLJOW-NRFANRHFSA-N 409.446 0.594 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164213 YUPZCZIIPLWFEK-FQEVSTJZSA-N 412.450 0.349 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Cl)n1)CCO2 1837919880 SDBOOVXKYIZWTJ-LJQANCHMSA-N 404.854 0.613 30 20 HCED C=CCC(F)(F)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838622503 AADYQEDYVXPNGV-YOEHRIQHSA-N 415.481 0.919 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1 1838832032 CEPDFRMKBBJJKH-SCLBCKFNSA-N 410.496 0.264 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oncc3C)C2)C1 1839175011 ITDOKIUCGDMVDA-HXUWFJFHSA-N 421.450 0.562 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839228750 NWXVPECNTIDIMI-JXFKEZNVSA-N 411.499 0.549 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)cc1 1839361758 CHMJVHUTFDWDIF-NRFANRHFSA-N 409.446 0.860 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)CCO2)C1 1839694120 GSHIKQAAXBEEOV-SUFIHLRJSA-N 406.504 0.356 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839883778 DAICRZVGTAMUJW-QFIPXVFZSA-N 413.474 0.021 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1840161729 YRCVWJYCBOUHDC-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840175637 WJAYSXRWVRYGFG-JOCHJYFZSA-N 414.506 0.416 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814933 NDGXEXUJNZUHLZ-NRFANRHFSA-N 419.478 0.646 30 20 HCED CN1N=C(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)CCC1=O 1844299077 ANYJSXXRJDSSJV-MLHZQLSASA-N 405.455 0.327 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1845253762 BSIWOXCVXDXOQF-GJZGRUSLSA-N 416.482 0.599 30 20 HCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1847148249 QASJFQVDRVZDCR-UHFFFAOYSA-N 419.478 0.925 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 409539787 VOCYWFKERWJXTI-KZNAEPCWSA-N 413.588 0.835 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 410123035 OCCWDASCHVCCRZ-QAPCUYQASA-N 407.540 0.810 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 410145934 QPKQYQNNRVCTFW-ZYHUDNBSSA-N 400.482 0.566 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COCC(F)(F)F)CC1 431082917 WVQJXSXFZQTCJH-CQSZACIVSA-N 407.414 0.804 30 20 HCED Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 435001678 YUFNFRNSRDAVJL-MRXNPFEDSA-N 404.471 0.285 30 20 HCED COC[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCCO1 435289631 OIKAGXDKCZRIQM-HOCLYGCPSA-N 401.398 1.132 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 440996944 ICLQSSROJFJHOC-QGZVFWFLSA-N 419.482 0.084 30 20 HCED CCOCCOC1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 442426423 KGFDIDWGGOHWOM-UHFFFAOYSA-N 401.398 1.085 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1 443114135 VHGBVFZNPVNSMF-UHFFFAOYSA-N 408.386 0.870 30 20 HCED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)c1C#N 461194999 NGYKULOQBKSNFY-UHFFFAOYSA-N 406.493 0.345 30 20 HCED Cc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(N)(=O)=O 472006416 HEANAMDGEJMTLD-UHFFFAOYSA-N 417.495 0.910 30 20 HCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472891036 MBFVXUWPKLPUKF-UHFFFAOYSA-N 423.477 0.556 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccn2)CC1 479873881 IDCKCLOALLONBG-INIZCTEOSA-N 413.503 0.964 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 484605316 STXNBCYVSXKRNB-UHFFFAOYSA-N 404.467 0.557 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 485570302 BCXGLVSBYHHELB-UHFFFAOYSA-N 401.492 0.431 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1C 488295861 SXFWTHWIVUITED-UHFFFAOYSA-N 401.488 0.802 30 20 HCED CC(C)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 494777907 FCHPBSPRAJFQSZ-OAHLLOKOSA-N 406.508 0.894 30 20 HCED CC[C@H](C)[C@@H](NC(=O)CNc1cccc(C#N)c1)C(=O)NCCN1CCOCC1 494999786 VNDPOTQNKUABCU-OXJNMPFZSA-N 401.511 0.949 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cscn2)c1=O 497572827 IDUSBYCXDXVIBE-UHFFFAOYSA-N 417.560 0.443 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)nn1CCC#N 504890158 ZCBSHBHNSNKLLN-ROUUACIJSA-N 410.478 0.795 30 20 HCED N#Cc1cccc(F)c1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 504951165 XVKJJPRVTDKPGQ-UHFFFAOYSA-N 420.422 0.465 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 506615965 ZBBMORKZIDPHFM-INIZCTEOSA-N 409.508 0.913 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2cccs2)N2CCOCC2)C1=O 522124260 RCPQGWAJTHKFED-CYBMUJFWSA-N 406.464 0.214 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccncc2)c1=O 523088777 AXVHWBABAGHPLB-UHFFFAOYSA-N 412.515 0.903 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 525858619 SCHHXCHXQOTIGZ-UHFFFAOYSA-N 408.418 0.348 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 532703212 LMOCEJLCJDZWJB-UHFFFAOYSA-N 416.489 0.968 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(CCC(=O)Nc2sccc2C#N)CC1 532959080 BWAMWHAHJZQTFG-OAHLLOKOSA-N 405.524 0.813 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)o1 533180452 QYQHHPDPQVFAQP-LLVKDONJSA-N 405.436 0.936 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)n2)c(Cl)c1 543941918 LAMPSCLFEIKQHS-NSHDSACASA-N 407.839 0.639 30 20 HCED C[C@]1(c2ccc(CNC(=O)C(=O)N3CCc4ccc(C#N)cc43)cc2)NC(=O)NC1=O 550568315 LELZWJWZGCAZLG-JOCHJYFZSA-N 417.425 0.818 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1 551428595 BULOJLUWXJJQLL-MRXNPFEDSA-N 404.390 0.547 30 20 HCED COC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(F)c1 558792892 MJGMHDVBCLFCDC-UHFFFAOYSA-N 409.399 0.844 30 20 HCED COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC#N)cc1 561469806 UBQKRKPWBLFOTM-UHFFFAOYSA-N 416.459 0.890 30 20 HCED CN(C)c1cccnc1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 572172840 SHIATXVOFXKYAC-UHFFFAOYSA-N 404.434 0.914 30 20 HCED Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)CCC2 577654065 HAPVWPWPGCWRLD-MRXNPFEDSA-N 407.478 0.801 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 580669132 IZDPZECXRLRBST-CQSZACIVSA-N 400.357 0.885 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 580969156 JMGNZFJSQQPERV-UHFFFAOYSA-N 414.434 0.608 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)[C@H](O)Cc2ccccc2)c1 583791847 WDMBBZAQYLVAJO-MSOLQXFVSA-N 418.471 0.938 30 20 HCED CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 588771341 BGWPBIBXBFOXJD-SFHVURJKSA-N 420.473 0.595 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCO1 588815044 HTURUPOFGAPOIF-QGZVFWFLSA-N 414.510 0.219 30 20 HCED CN(CC(=O)N1CCO[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 609268500 ZMILSWUUPOBTRA-GFCCVEGCSA-N 402.270 0.821 30 20 HCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 609420712 JSSMMECOABKDFX-MJGOQNOKSA-N 404.559 0.996 30 20 HCED O=C(CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N=c1cc[nH]cc1 726535015 KGFQMQDBYLGWBH-UHFFFAOYSA-N 415.475 0.467 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)OCC(=O)NCC#N 731246298 PPYZYYGHFRPTJZ-UHFFFAOYSA-N 419.463 0.252 30 20 HCED Cc1cccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1C 732909774 GKKLFJATOHQPAB-JKSUJKDBSA-N 417.487 0.622 30 20 HCED CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3ccc(C#N)cn3)cc2)CC1 734776148 PDEUKQQLCQDCDP-UHFFFAOYSA-N 414.443 0.890 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)c1 750364976 CIOPTFORNRGZNL-UHFFFAOYSA-N 420.425 0.663 30 20 HCED C#CCOCCC(=O)O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 756313982 NWCBCDUKCHBEOT-KRWDZBQOSA-N 422.503 0.800 30 20 HCED C[C@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 756987721 QUDBHJSWQFKETM-GKHXZTSLSA-N 417.466 0.376 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2scnc2C)c1=O 758074613 BSCJFQFYEWPFEZ-UHFFFAOYSA-N 416.553 0.386 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 759401460 OQHFGAACZQKORE-DGCLKSJQSA-N 419.438 0.924 30 20 HCED C[C@H](O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 763004770 YJOAWNYTNLXVGB-WREBDXAUSA-N 406.468 0.783 30 20 HCED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 764315219 VUZWIZSVPQQEGX-DLBZAZTESA-N 420.535 0.865 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2sccc2OC)c1=O 765143824 BHAXESVYPUQXJU-UHFFFAOYSA-N 419.528 0.752 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)C(C)(C)C 765532556 BVRKJBJTMZWKNG-GFCCVEGCSA-N 401.510 0.555 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CSCCN2C(=O)OC(C)(C)C)CC1 772079732 IMHIQZWHHHARML-INIZCTEOSA-N 424.567 0.623 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NOC2CCOCC2)cc1 773641184 YGZBSYAERJXIML-PGMHBOJBSA-N 424.479 0.665 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)[C@@H]1CCCO1 773793046 QQRLUXWMDSGIII-RDJZCZTQSA-N 419.503 0.980 30 20 HCED COCCN1C(=O)c2ccc(C(=O)NCc3ccc(C#N)cn3)cc2S1(=O)=O 782019250 VYTSITQBTWQSMR-UHFFFAOYSA-N 400.416 0.674 30 20 HCED Cn1nnc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 783005464 CMOPANBPWXLNKY-DPHDRGAJSA-N 414.495 0.317 30 20 HCED C#CCN(CC#C)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 784868859 IBBBHHNCWWGVQS-UHFFFAOYSA-N 413.499 0.845 30 20 HCED C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cn2)CCO1 787204171 WWWFMGJFLDBRIK-HNNXBMFYSA-N 423.477 0.418 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1)c1cc[nH]n1 789974621 UZGOQNBCIRCIMR-AWEZNQCLSA-N 407.471 0.704 30 20 HCED C#CC[C@]1(C(=O)NCCN2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 791349574 VKNWVGCKSLJIJS-LJQANCHMSA-N 413.540 0.626 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC1 796273492 CGUBOKGKSPJRBX-MRXNPFEDSA-N 410.408 0.225 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](CO)[C@H]2CCOC2)cc1C#N 797392078 LWBKQOVJRHEQIS-JSGCOSHPSA-N 404.423 0.826 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799257307 DJSUXWNEFVUBJM-UHFFFAOYSA-N 411.256 0.385 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc(OC)nc2)c1=O 802724321 ZLLFLKORZHYTFS-UHFFFAOYSA-N 422.470 0.562 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccc2c(c1)CC(=O)N2C 804570309 DRXJIVVYLABUPP-CYBMUJFWSA-N 406.446 0.878 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nnn1Cc1ccccc1F 815491454 PZHKLEBVCKDLPA-INIZCTEOSA-N 411.441 0.911 30 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N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](O)COCC3CC3)C2=O)cc1 1330808243 VFPNWVHGIWXLFD-IRXDYDNUSA-N 400.435 0.667 30 20 HCED COC(=O)[C@@H]1C[C@H](O)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1478420106 MZIJVPVQCBTHMD-HYVNUMGLSA-N 400.435 0.619 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1509681039 XKDWZHVSNGRDNB-UHFFFAOYSA-N 424.509 0.703 30 20 HCED CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1517583818 IVHWSAMGCKYSRX-OAHLLOKOSA-N 423.481 0.238 30 20 HCED CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1552428724 KBVLUGRXSSJUPS-VNFRKBOCSA-N 403.505 0.391 30 20 HCED CC(C)(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1596957395 NVOHFNZCCSAKOZ-ZIAGYGMSSA-N 424.527 0.071 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cc(=O)n2ccccc2n1 1683541016 IWNYKJMKCMCSBU-AWEZNQCLSA-N 404.434 0.776 30 20 HCED CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cn1 1710187176 NJACGUOUTUNLQV-PBHICJAKSA-N 407.475 0.887 30 20 HCED 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421.519 0.423 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C 480246235 DJKXUGDKXNCFTQ-UHFFFAOYSA-N 409.414 0.314 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 482143368 ZQSXEKHEYPQHJQ-GXFFZTMASA-N 418.397 0.504 30 20 HCED CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 482178359 MMEAVERJYPNECY-LPHOPBHVSA-N 421.567 0.613 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482502503 UIYVANQZAXHCNJ-HUUCEWRRSA-N 422.507 0.321 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(C(=O)CCOC)CC2)c1 486708117 NKLJSKCNNQRIKV-UHFFFAOYSA-N 409.508 0.908 30 20 HCED CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 490078354 VFMRQENCBYSHJR-LBPRGKRZSA-N 422.326 0.975 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 490369940 CYAQRGWFWNQTAG-OAHLLOKOSA-N 401.467 0.182 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)ccc1OCC(F)(F)F 504868777 DEOBPBCOALWPDO-UHFFFAOYSA-N 414.340 0.101 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)c1C#N 505667847 WLMKSOQCRJLQKW-KDOFPFPSSA-N 410.482 0.202 30 20 HCED CCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CC(=O)N(C)C1=O 513947392 XAOZTOBHEVVTRV-CQSZACIVSA-N 406.464 0.406 30 20 HCED Cc1nnc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c(C#N)c1C 514528609 OEVGUJJEDLKLDX-UHFFFAOYSA-N 412.475 0.971 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 515549204 MFLKMXPNSUSRNQ-NUJGCVRESA-N 415.560 0.012 30 20 HCED Cn1c(NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c(C#N)c(=O)n(C)c1=O 517726024 DLFQJXBNVVNUGC-UHFFFAOYSA-N 422.445 0.937 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 533454921 WDLIULHOKUULNL-UHFFFAOYSA-N 403.487 0.056 30 20 HCED CCCCN(C(=O)CN(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCS(=O)(=O)C1 534833075 BHFBJHYWWNOXNI-CQSZACIVSA-N 410.544 0.544 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@@H](C(N)=O)O1 537165776 WMCIHLRPMPYBMC-JLSDUUJJSA-N 403.458 0.109 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCSC[C@H]2C#N)s1 539328793 LXKZLUOHWBLKDL-LLVKDONJSA-N 402.523 0.130 30 20 HCED COc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c([N+](=O)[O-])c1 548370114 ROVHNDZHYGQBON-UHFFFAOYSA-N 408.396 0.836 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 548586948 LEFFVXCWLVEPGL-NSHDSACASA-N 422.419 0.553 30 20 HCED C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549260959 LSNGEJDXWRUXLG-PBHICJAKSA-N 424.461 0.514 30 20 HCED CC#CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 550489328 KGZQSTSGRQUGIO-UHFFFAOYSA-N 421.519 0.636 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(Br)cc2)CC1 550762536 ZFIJVUGOFIQPFD-UHFFFAOYSA-N 423.311 0.512 30 20 HCED COc1cc(NC(=O)NCCn2cnc(C#N)n2)ccc1S(=O)(=O)N1CCCC1 554440196 FYGFXYRNQLTUPT-UHFFFAOYSA-N 419.467 0.765 30 20 HCED COc1ccccc1OCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 555652623 TUYHHWZQWVYNER-UHFFFAOYSA-N 409.446 0.806 30 20 HCED CC(=O)NCC[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 558154725 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N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)n2)cc1 610699854 QRNDVVKSIBBIBR-IAGOWNOFSA-N 410.434 0.543 30 20 HCED CCOC(=O)N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727008838 WOEUMHLLZKFZHC-UHFFFAOYSA-N 402.407 0.132 30 20 HCED N#CCOc1ccc(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 727941686 HSKBZWJLKWRJRT-UHFFFAOYSA-N 423.477 0.917 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 728915318 PWAHTBMLNUIHPM-QWHCGFSZSA-N 420.516 0.708 30 20 HCED CCc1nn(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(=O)c(C#N)c1CC 731937320 KGPWHCRXUQHTLI-OAQYLSRUSA-N 422.445 0.738 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 733149509 IEXRTMGZYDBZLI-UHFFFAOYSA-N 410.474 0.347 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 733149775 QQMYJIQIWLJXMT-GOSISDBHSA-N 416.909 0.977 30 20 HCED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 733161559 YOFZOFJZLURBLA-IRXDYDNUSA-N 405.520 0.876 30 20 HCED CS(=O)(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)ccc1F 733316287 OFWLKAKYXCZQAX-UHFFFAOYSA-N 419.500 0.466 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 735923588 TVCMRTNHGUYCRV-UHFFFAOYSA-N 410.452 0.049 30 20 HCED CS(=O)(=O)CCS(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 742275027 XYHAADDJIQAWFR-UHFFFAOYSA-N 414.465 0.303 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(Cl)nc3)c2=O)cn1 743728221 MQZXXWUDTAQBIH-UHFFFAOYSA-N 412.862 0.817 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O 744438975 WCPIRTPRLYCJAQ-OAHLLOKOSA-N 421.498 0.442 30 20 HCED COc1cc(C[C@@H](CO)CNC(=O)C(=O)Nc2cnn(CC#N)c2)cc(OC)c1 746431490 DOZZGUSWMRSBKQ-CQSZACIVSA-N 401.423 0.330 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)cc1 747147326 YAOQWYSGGMYRBO-BHIYHBOVSA-N 405.520 0.922 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@]4(CCOC4)CC3=O)CC2)cc1 756848014 NMXZPKWQKHOWAB-IBGZPJMESA-N 404.492 0.461 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 757301658 ZBOAFGGNVYDOJM-TZMCWYRMSA-N 411.455 0.610 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)OCO2 763459078 VVOBHMORFRXXLR-UHFFFAOYSA-N 408.439 0.215 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767886784 AZKYLRRXMVLOAS-UHFFFAOYSA-N 413.484 0.528 30 20 HCED N#CCN(C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 769723646 AFQNPNUMUOLXAM-UHFFFAOYSA-N 412.427 0.937 30 20 HCED C=CCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770901023 WZEMOBJIYXOLED-OAHLLOKOSA-N 403.819 0.878 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(O)c(C(=O)O)c3)nc2)CC1 777423746 UJCNXVRSDGWKCQ-UHFFFAOYSA-N 419.463 0.868 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777946637 GQEQXSCOZHXNIL-UHFFFAOYSA-N 401.379 0.072 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 781826046 OZLUMOZIEWFTBP-UFPHYQGISA-N 423.495 0.478 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)C1=O 783358977 XKSSPWXNJIHKSR-VIFPVBQESA-N 415.362 0.116 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 783480236 IPYFWJKHUPBCPE-KRWDZBQOSA-N 414.487 0.827 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCC1 784232873 DNCNUHBRNWJNPZ-CYBMUJFWSA-N 415.855 0.085 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786995181 GCEZCEJWMYLPDU-SJORKVTESA-N 408.499 0.251 30 20 HCED CCn1ncnc1CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 794447392 AQDBWTMYDDOGPW-LBPRGKRZSA-N 403.468 0.969 30 20 HCED COc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C#N 808339917 YRYSPZTXFGHXFC-ROUUACIJSA-N 400.479 0.677 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1)[C@H]1CCCO1 809313564 VTMDGGXZYJJWBX-FUHWJXTLSA-N 423.473 0.277 30 20 HCED COc1cc(N2CCN(C(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CC2)ncn1 809503939 MQFMWCSIAPLNDZ-UHFFFAOYSA-N 410.434 0.330 30 20 HCED 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C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1837392348 DGUPOWNWEJKYJW-RDTXWAMCSA-N 410.496 0.181 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837395184 SFLDDTVTUKVEGN-DYESRHJHSA-N 421.469 0.864 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837632099 HVFHYMJVSMNMAL-OAQYLSRUSA-N 414.462 0.280 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837741281 MPJFAUJDPIMAFP-IIBYNOLFSA-N 413.478 0.642 30 20 HCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1 1837950723 WFKOEOSRJJFIKF-FQEVSTJZSA-N 402.451 0.710 30 20 HCED C[C@]1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCCN1 1839121993 BZJCARMOKVNORT-UHFVFUGDSA-N 421.542 0.057 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839762664 YPVCWHMTTKMPEZ-OXJNMPFZSA-N 408.495 0.998 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839843532 GSYYKCKQBQGXAL-IIBYNOLFSA-N 418.494 0.948 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=C)C(F)(F)F)CCO2)C1 1839891548 LGGFJHFBKFLJLR-PBHICJAKSA-N 404.385 0.600 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840429456 TVTNHCSTILVWHL-PXNSSMCTSA-N 422.551 0.895 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)CCC1 1840814193 SYGQMEORWIOHBO-NRFANRHFSA-N 424.461 0.493 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3OC)C2)C1 1840842941 KRGZVFFXIZUQKA-NRFANRHFSA-N 401.463 0.882 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)c(O)n1 1842297134 WWMGTSULXJXWFT-INIZCTEOSA-N 415.494 0.316 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)c1 1843414450 PLKZNEVVUCHPFG-UHFFFAOYSA-N 405.480 0.129 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CCc3nc(N)n[nH]3)C2)c1 1844183765 JDPRLSVTIDLYEW-UHFFFAOYSA-N 409.450 0.717 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1845221153 FNBSYEQCIZLLQK-CVEARBPZSA-N 423.510 0.504 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)Cn3ccncc3=O)C2)c(C#N)c1 1845767881 NPZFYKBTNJSBLZ-UHFFFAOYSA-N 421.457 0.570 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)C1=O 8333799 CNGMKSOOQBTVAH-UHFFFAOYSA-N 405.432 0.558 30 20 HCED N#Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 41577555 UGHXJHFQAMBDNI-UHFFFAOYSA-N 414.443 0.696 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3cccn3)CC2)cc1 45712680 HYXOCISZKBEMBM-UHFFFAOYSA-N 402.480 0.861 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 410387385 NFHOLDTXTCZIPX-UHFFFAOYSA-N 410.562 0.276 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)nc1 428780421 BVKNZUCAVHNYGZ-OAHLLOKOSA-N 401.448 0.692 30 20 HCED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 439214774 YIZGXSQMHAWPLL-KRWDZBQOSA-N 403.531 0.918 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1=O 440266791 CTDUVPDOJOCCQM-QGZVFWFLSA-N 414.462 0.406 30 20 HCED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 441355630 PPJLQFUNURYHOU-GOSISDBHSA-N 419.825 0.766 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCOC1 441954195 GIRPNUUWSBDOPQ-CYBMUJFWSA-N 413.474 0.867 30 20 HCED COCc1nc([C@H]2COCCN2C(=O)C(=O)Nc2cc(C#N)ccc2OC)no1 442445330 QTEWEJIWJDEKEW-CYBMUJFWSA-N 401.379 0.635 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@]4(C[C@H]5CC[C@H]4C5)C3)n2)cc1 443121673 YWRRGZZCDIPAIT-SPEDKVCISA-N 420.473 1.554 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCc2ccc(OCCN3CCCC3)cc2)n1 444586668 QHSVYRIOIWSNMI-UHFFFAOYSA-N 410.478 1.526 30 20 HCED N#CCCNS(=O)(=O)c1ccc(-c2nc(CS(=O)(=O)NC3CC3)no2)cc1 445681767 LRHRXCBOBFSWMW-UHFFFAOYSA-N 411.465 0.510 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 465418922 DQPATUJZGMHJJX-GOEBONIOSA-N 422.507 0.375 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc(C#N)c(Cl)c1)C2 466378181 YMJJPFDHAYINBP-UHFFFAOYSA-N 403.830 0.706 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)cn1C 468635163 MNQYTMCBPJZIOT-QAPCUYQASA-N 409.512 0.851 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468938512 MIESTVLFTRGKBT-OAHLLOKOSA-N 401.492 0.816 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 469626228 WTOFUMVEDBYKIV-IBGZPJMESA-N 423.491 0.450 30 20 HCED CCCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480442918 JLFMNJJEQAHOPL-CQSZACIVSA-N 406.508 0.990 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 480793082 XCTLCFBMWHIQSO-CYBMUJFWSA-N 416.525 0.013 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CS(C)(=O)=O 482146795 HLJRJZRUBKLRQW-STQMWFEESA-N 401.510 0.507 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482179942 NRNLLHKLKOPOHS-DLBZAZTESA-N 421.567 0.615 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 497033297 FBGFHNREEHOZEQ-KRWDZBQOSA-N 409.508 0.529 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)nc1 497457204 BDMDHNFLXBHXLU-UHFFFAOYSA-N 410.522 0.936 30 20 HCED CC1=CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 498851668 FAOLJJMAGPQYDH-LJQANCHMSA-N 409.490 0.938 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)nn1CCC#N 504047769 CEOFDRXBQBXSAK-LBPRGKRZSA-N 407.377 0.878 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1 506888748 AAZOXPHDYUWNGY-UHFFFAOYSA-N 423.458 0.883 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1Cl 508358874 FSAQOVMNJPZUOW-UHFFFAOYSA-N 406.786 0.110 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)c(C)cc1Br 509015444 LDOVLYXTBIOWNI-UHFFFAOYSA-N 411.212 0.239 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(OCC(=O)NC)c2)cc1 509300418 KKVUNFKUSCOHAI-UHFFFAOYSA-N 424.457 0.982 30 20 HCED Cc1ccc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1S(=O)(=O)NCC#N 521136532 MIGBUFNEVFFBGS-UHFFFAOYSA-N 411.447 0.907 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 532314397 XTBGBMMZULVHAP-LSDHHAIUSA-N 422.511 0.379 30 20 HCED CN(CC(=O)N1CCN(c2nccn2C)CC1)S(=O)(=O)c1ccc(C#N)cc1 533435032 MKMNKNXNXVATCZ-UHFFFAOYSA-N 402.480 0.261 30 20 HCED CN(CCN1CCOCC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539450577 PRBAPATURMVIAY-FQEVSTJZSA-N 403.502 0.799 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C 543147159 VJNKRRQOJZGPQM-UHFFFAOYSA-N 422.850 0.274 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)cc1C(F)(F)F 562321445 CEASWFBNKSSRDI-QPUJVOFHSA-N 405.354 0.916 30 20 HCED COC(=O)c1ccc(CS(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 572825347 WMZNIOXAVMMMCG-UHFFFAOYSA-N 405.436 0.846 30 20 HCED CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 578559417 GSQCOCSLBWQHCJ-QGZVFWFLSA-N 409.494 0.886 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccnc(-n4cccn4)c3)CC2)c1 580897926 SNXQKWABBBPVFA-UHFFFAOYSA-N 416.445 0.499 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)C2)nc1 581266494 WQJMTNWVKIQSAX-INIZCTEOSA-N 422.445 0.803 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)n(CCC#N)n1 581678801 ZOBBJXXJKUURMX-OAHLLOKOSA-N 410.434 0.800 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603661911 RBQNVXCLCBUAGZ-KXBFYZLASA-N 407.540 0.899 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C#N)c(Cl)c1 608827638 LWTMPHKZNKBVCK-UHFFFAOYSA-N 424.873 0.407 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 610391906 CIVHCDCBIKOYSW-UHFFFAOYSA-N 412.487 0.521 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC2C3CC4CC(C3)CC2C4)c1=O 620611470 ZTIJERIGTCFBDX-UHFFFAOYSA-N 400.479 0.485 30 20 HCED Cc1cc([C@@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nc(C)n1 642282535 BUNIAFQTUFKIPQ-OAHLLOKOSA-N 403.464 0.943 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 674400176 NXYUWLRERYRPEK-WBAHDQRJSA-N 401.463 0.007 30 20 HCED CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1 726112672 GFWFKSZMJIEALO-RHNCAKJLSA-N 405.524 0.929 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)NC(C)C)C1=O 726400338 INSUGCNMINALCY-ZDUSSCGKSA-N 405.480 0.378 30 20 HCED CSC[C@H](C(=O)OCCn1ncc(C#N)c1N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 731771734 MNCYCUBKWBJJOH-MGPQQGTHSA-N 405.480 0.787 30 20 HCED N#C[C@H](C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 732910746 TWOROOXYSIYXKV-CYBMUJFWSA-N 417.403 0.360 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CC3)c2=O)cn1 743726221 JBBTVMXSEYFXGD-UHFFFAOYSA-N 413.503 0.213 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)cc1 746041546 VZBWWAYOIPEYAG-PFOIOJFUSA-N 420.491 0.828 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)NC)CC1 747999091 FLPKMKANVLHOCO-HNNXBMFYSA-N 421.523 0.768 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)s2)c1=O 748791349 QZRHNOSUQVTJEB-UHFFFAOYSA-N 400.485 0.271 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc(OC)cc3OC)CC2)CC1 748813238 KXBRPZAEGCRXKR-UHFFFAOYSA-N 414.506 0.239 30 20 HCED CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 750843927 LIRARZRMTUKJEP-GFCCVEGCSA-N 410.521 0.541 30 20 HCED COCCc1noc(CN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 758847631 FKHFYVRQBQNECH-UHFFFAOYSA-N 407.452 0.346 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 759052329 LGMJVGDWWZBMHN-UHFFFAOYSA-N 407.496 0.021 30 20 HCED CC(C)S(=O)(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767627195 LXVQMEDKNQLRAH-CYBMUJFWSA-N 402.494 0.982 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2nnnn2CC2CC2)cn1 769751464 JIKUWPDITFLMQQ-ZDUSSCGKSA-N 417.499 0.567 30 20 HCED CC[C@]1(C)NC(=O)N(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1=O 769818976 ZZKAXTGRZFFUTM-QGHHPUGFSA-N 407.452 0.255 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 772116203 OBMUCSMWVTUXGW-UHFFFAOYSA-N 407.492 0.730 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C)[C@@H]1CCCO1 773802100 ZKMVGGVPRJGIIL-ZFWWWQNUSA-N 403.435 0.641 30 20 HCED CN(CC(C)(CO)CO)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 775318649 ZBASHOIVMHXOBH-SILNSSARSA-N 412.512 0.954 30 20 HCED COCc1noc(CN2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)n1 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COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)Nc3ccc(C#N)cn3)cc2)CC1 815596598 YJVCZEXJXNLLAT-UHFFFAOYSA-N 422.445 0.825 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@@H]1CCN(O)C1=O 816692835 WWVFNQCTUAKBEM-MRXNPFEDSA-N 421.479 0.175 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 915654351 QMUGOHYREKYTFZ-QGZVFWFLSA-N 402.476 0.594 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 916655197 APXLOUXVCIWQDJ-UHFFFAOYSA-N 404.448 0.940 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)NC1CCCCC1 916895743 QYTGIQQPEOQFCL-MRXNPFEDSA-N 422.507 0.817 30 20 HCED C#CCC1(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1040429537 UHFUQUMJQIXPGS-ORHUHTHUSA-N 402.491 0.310 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@H]1C1CC1 1141222348 TYWUOBNTFNTOOQ-AWEZNQCLSA-N 411.505 0.151 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1197330343 VYPRQULKRONBOT-IUCAKERBSA-N 418.269 0.665 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C#N 1315073018 WBARJMRDPDOCFZ-AWEZNQCLSA-N 417.495 0.874 30 20 HCED COCCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cn1 1316112526 NGYKKDZABHDASD-IBGZPJMESA-N 416.461 0.847 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1316532650 SCSOTFXRTGTTAG-ZWKOTPCHSA-N 420.470 0.255 30 20 HCED Cc1nnc(O)c(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 1318796407 BZWZEMZVUFSGPL-JTQLQIEISA-N 403.464 0.933 30 20 HCED CCN1CCC(N2CCC(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1325040254 QQBGKXAYFNJNIJ-VZCXRCSSSA-N 403.527 0.825 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@H](Cc2nccn2C)C1)c1cc[nH]n1 1338903753 VFNAWTGJGRWMNI-CQSZACIVSA-N 402.455 0.908 30 20 HCED CCOC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC12COC2 1455482773 LHPWRBWTMDFPNB-XJKSGUPXSA-N 421.475 0.263 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(O)nn1 1468301316 XLSWPFUTOOUQOT-CQSZACIVSA-N 403.464 0.952 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1475550952 VZCKPLKJOBRUSF-OAHLLOKOSA-N 414.553 0.485 30 20 HCED CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508818868 RGHNFUNBKPOAHP-KRWDZBQOSA-N 422.493 0.803 30 20 HCED CCN1CCN(CC(C)(C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1528889494 OVICPKMHWWXGID-UHFFFAOYSA-N 407.540 0.257 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCC(F)F)CCN1C1CC1 1555993178 JYTNCMWWJMNWSH-CYBMUJFWSA-N 404.425 0.831 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)n1 1612212981 XCRHOKIQULOQQL-OAHLLOKOSA-N 417.495 0.413 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)C1 1620347515 WPUNJIHCMDZJPI-DAXOMENPSA-N 415.516 0.490 30 20 HCED N#C[C@H]1C(CN2CCN(CCS(N)(=O)=O)CC2)=CC(=O)n2c1nc1ccccc12 1653705041 RHUXNNYNLZVAPD-HNNXBMFYSA-N 414.491 0.130 30 20 HCED Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1707504103 TYXNXUSQIQBWGV-MRXNPFEDSA-N 411.466 0.185 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC 1727232164 PPNPCNDMUBDPMN-AWEZNQCLSA-N 412.516 0.360 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1727234812 ZRGBVGGULGWJIQ-HNNXBMFYSA-N 406.487 0.467 30 20 HCED CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1 1729735684 BNNHENIHOSDSKU-KRWDZBQOSA-N 415.523 0.720 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCNC(=O)C2CC2)cc1 1771534783 OHCPLGFGJHRVDW-UHFFFAOYSA-N 409.450 0.191 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)CC#N)CCO4)C3)cnc2s1 1777991936 SLOGWWRHKPVQHH-SFHVURJKSA-N 401.448 0.422 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1778971464 MVQOWEZLDNZXCY-YWZLYKJASA-N 404.467 0.502 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)Nc3cnccn3)CCO2)C1 1778972218 SLKQWXMNTSTPDO-CKJXQJPGSA-N 417.510 0.680 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1cnc[nH]1)CCO2 1779062717 FZYSSQKLEIGBBX-OAQYLSRUSA-N 400.479 0.481 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1779103222 PTIDDBLSEMWCFS-GYMQQHCDSA-N 407.427 0.088 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379733 DSMSGYGQNUPZLF-FZKQIMNGSA-N 407.427 0.335 30 20 HCED Cc1n[nH]cc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1780284355 YFUDZZCCGWAPTJ-URNPZBAUSA-N 405.455 0.691 30 20 HCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1 1781168321 QQEDOCWAGFYJAT-IIBYNOLFSA-N 422.526 0.472 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC=O)C3)C2)c1 1781248167 SOGQCNKTXDSWEE-XOBRGWDASA-N 400.435 0.145 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1781361880 IQAZFAJWNREOHW-CVDCTZTESA-N 424.501 0.942 30 20 HCED CCN(C)[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1782619389 XEBYJIZXUHQPDP-GCJKJVERSA-N 405.539 0.855 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782712965 DSGMKBAZMLYJGS-QGPMSJSTSA-N 420.597 0.889 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCN(CC)CC3)cc1)CCO2 1783054534 XZFTUDYQBZNSHQ-HSZRJFAPSA-N 410.518 0.905 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(Cl)c1 1783167573 FAAHRVFAIJVBST-VLIAUNLRSA-N 416.865 0.791 30 20 HCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2)C(F)(F)F 1783201988 AUWXPQHFWZHEGX-MAUKXSAKSA-N 412.412 0.900 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cncc(S(C)(=O)=O)c3)CCO2)C1 1783886008 KNBVJJSGCZEJHC-SJCJKPOMSA-N 413.521 0.247 30 20 HCED CSCC[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783973627 YVQQMCVUFKAGGO-MXMCTPPNSA-N 412.556 0.402 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 1784479054 VUUNLADQVUWTIW-JKQORVJESA-N 404.467 0.060 30 20 HCED CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784551732 YVPPNELJNCIOFL-YPTRSROESA-N 408.543 0.845 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784824781 GAIMONUHGATEDE-ILBGQUFFSA-N 409.483 0.650 30 20 HCED CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)S)C[C@@H]32)n1 1785537046 NNIOZCMLBJSNSG-PCBIJLKTSA-N 406.508 0.952 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)cc1 1786569335 VYTSQGAONAYJJI-VJANTYMQSA-N 410.474 0.359 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4cc(O)ccc4n3)[C@H]2C1 1787868660 RMIGPLWKXHYKSE-QOKNQOGYSA-N 423.425 0.622 30 20 HCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342661 GKTWVUTVMCICCN-QEWYBTABSA-N 401.467 0.394 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)c5ncon5)C[C@@H]43)c2c1 1790327416 AVPZOQJHQBYWGX-NOLJZWGESA-N 421.417 0.725 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790581394 DWWSCXPAAJQWKG-VJANTYMQSA-N 414.506 0.991 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccnn3)[C@H]2C1 1790640906 SMYKTMJKLIEBFC-JSRQGNBESA-N 405.499 0.392 30 20 HCED 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C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 464956632 VXRSGKYIYBHHNH-JKSUJKDBSA-N 414.514 0.156 30 20 HCED Cc1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1S(=O)(=O)NCC#N 467854213 VPEMCRAMHISQFH-UHFFFAOYSA-N 421.508 0.193 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 475200088 YKQULSKPPQIMCY-UHFFFAOYSA-N 407.356 0.999 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)Cn1c(=O)c(I)cn(C)c1=O 478066520 ZKBFCKGIIVALGN-CYBMUJFWSA-N 404.208 0.206 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccsc1 479382469 VCKPBWLWXOFGPW-UHFFFAOYSA-N 424.507 0.717 30 20 HCED CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1 480417413 OGKWNWYYKTWCSR-QAPCUYQASA-N 408.524 0.698 30 20 HCED COc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1C(N)=O 483117735 OXKARPBGOVAJHO-JTQLQIEISA-N 403.420 0.366 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 488832806 SOYYJXAMGASILP-AWEZNQCLSA-N 414.509 0.032 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(Cl)c2)c1=O 489029962 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20 HCED N#CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 541298659 HVTBBGQYMKIMDN-UHFFFAOYSA-N 422.507 0.578 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)cc1 541967752 FLYLFDGSWVQJFD-KRWDZBQOSA-N 414.462 0.413 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(CCS(N)(=O)=O)CC1 544309002 XGORQDAZPICOGN-UHFFFAOYSA-N 411.484 0.021 30 20 HCED COC(=O)c1cn([C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)nn1 545173501 DGKCPBLXBUZUHA-WMZOPIPTSA-N 417.514 0.394 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)n1 546906955 RNIRQUFQVXLDLF-UHFFFAOYSA-N 418.417 0.216 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 551549835 RSYDZRDQHOZATG-LJQANCHMSA-N 419.551 0.885 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2=O)cc1 554259258 GEMMIZDLHMFDLQ-YJBOKZPZSA-N 423.473 0.297 30 20 HCED CNC(=O)C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 554641516 JXMZFDVWYSXPIG-MRXNPFEDSA-N 411.466 0.248 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCN3CCOCC3)C2)c(F)c1 555614665 NBGNUXCRISSGCD-QGZVFWFLSA-N 417.485 0.621 30 20 HCED CCS(=O)(=O)NCCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 558344170 IJWPIPKYVOTUJG-UHFFFAOYSA-N 414.278 0.677 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](c1ccccc1)c1nccn1C 559505920 OWXVYEJNTKQKMO-KRWDZBQOSA-N 420.477 0.894 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 559985758 FNVKMUZFFFZLKO-CYBMUJFWSA-N 412.406 0.482 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cnn(C)c2)cc1 560236860 WJBVAMBRUMYMCB-UHFFFAOYSA-N 405.480 0.524 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)c(S(C)(=O)=O)c2)CC1 562578821 PBQBWXFTLIAKKB-UHFFFAOYSA-N 408.524 0.528 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCOCC 565279755 NNFNYQQHYRNMTK-UHFFFAOYSA-N 419.528 0.822 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3cc(CC)ncn3)CC2)C1=O 566032684 QAZDIEAWUDGACA-KRWDZBQOSA-N 414.510 0.369 30 20 HCED CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 570031258 BLVUOLFGAPFELS-ZDUSSCGKSA-N 414.441 1.490 30 20 HCED C=CCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 578210257 BWIFSQUPEVALLA-UHFFFAOYSA-N 401.510 0.468 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 578683288 STDPMUKFPVFLQC-UHFFFAOYSA-N 413.544 0.450 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 579275601 GFHUJOUGTKOKHE-JLSDUUJJSA-N 414.462 0.432 30 20 HCED COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)C2 588036469 QFTHDVJSLFSTSL-QGZVFWFLSA-N 421.457 0.730 30 20 HCED C=CCc1cc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)cc(OC)c1OC 619874693 MXKMZBQJFVDTQR-INIZCTEOSA-N 420.462 0.953 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 642188731 CRQFBRFPWPYIPS-KSZLIROESA-N 416.588 0.771 30 20 HCED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 682318539 KIKJTQFWUHXNSJ-INIZCTEOSA-N 422.466 0.256 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)C1=O 726042019 BWTPXYDKMMBINJ-UHFFFAOYSA-N 414.418 0.745 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(C(N)=O)CC1 726380872 SWEILKHTDDLGTR-OAHLLOKOSA-N 421.523 0.897 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2F)CC1 728536370 XRSUHTQVEUJMJM-UHFFFAOYSA-N 412.259 0.861 30 20 HCED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(/C=C/C)cc2OC)CC1 728571977 RQJHKCPFSWIKRI-OQBYNLHGSA-N 401.507 0.835 30 20 HCED COCCOC(=O)c1c(C)[nH]c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 731863296 TVOONGKKMGTGLH-VLGSPTGOSA-N 404.423 0.691 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCCC2)cc1 737235745 AMFWRUQBHGBTNE-CJLVFECKSA-N 422.507 0.859 30 20 HCED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 744409714 DVZXEDIXUOJFFD-UHFFFAOYSA-N 415.515 0.681 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 745355942 FPEMNRIXPFRKEX-PXAZEXFGSA-N 413.500 0.301 30 20 HCED CN(C(=O)COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1(C#N)CCCCC1 745590016 UXRBQNXADOQZAN-UHFFFAOYSA-N 421.475 0.787 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 748147689 YGHWSCUWDZQGDD-INIZCTEOSA-N 409.464 0.551 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCNc2ncccc2C#N)C1 753409271 VLPKTDFIBZRMPI-MRXNPFEDSA-N 424.527 0.447 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2OC)c1=O 758050405 RPWFAYAVGXZXGW-UHFFFAOYSA-N 411.483 0.207 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 758051496 WSADQMBXLATFDS-GFCCVEGCSA-N 412.496 0.130 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)[C@H](C#N)C1 758758484 IGBKSONGYMUQLN-TZMCWYRMSA-N 400.501 0.964 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cn1 765145485 RMWKWGNGASFDQF-UHFFFAOYSA-N 412.475 0.190 30 20 HCED N#C[C@H](C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)NCc1ccccc1 766255449 MHRGWMHUFPSLIQ-GOSISDBHSA-N 420.473 0.931 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(CC(C)C)c2=O)cn1 772280384 YRRQTQAIKLEHKQ-CQSZACIVSA-N 415.519 0.517 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@@H]1O 774406858 VUIBDNMWXVWMNW-KWSDNHACSA-N 408.480 0.277 30 20 HCED C#C[C@H](NCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@H]1CCCO1 775783518 BRJGLIUDAAEXES-RBUKOAKNSA-N 402.470 0.679 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 778702353 VKVYDLLIMYJRCX-MJBXVCDLSA-N 420.470 0.904 30 20 HCED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1cc(O)n3ncc(C#N)c3n1)C2=O 782324827 HJSIOOJRNKIEKS-WYRIXSBYSA-N 412.406 0.850 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2cccc(O)c2)CC1)c1cc[nH]n1 789950703 URHSSMAFNXSAGN-UHFFFAOYSA-N 401.423 0.748 30 20 HCED C#CC[C@@]1(C(=O)NCCN2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 791349573 VKNWVGCKSLJIJS-IBGZPJMESA-N 413.540 0.626 30 20 HCED C#CCN(CC#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 798800999 ZPTMSVTVGOSXIP-UHFFFAOYSA-N 416.459 0.754 30 20 HCED Cc1cc(Br)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1[N+](=O)[O-] 807367337 ROEUOHFIZLFSQQ-UHFFFAOYSA-N 422.199 0.884 30 20 HCED CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 808142778 BJJHAKAYJDCZDT-FQEVSTJZSA-N 414.466 0.687 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCCO1 808611652 HRECBXOFQOINON-HRCADAONSA-N 407.829 0.998 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1)[C@@H]1CCCO1 809305978 LSQCYZYXTIHYBQ-GJZGRUSLSA-N 405.417 0.397 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)n1 810377975 KKPOFZTZAZVMMT-MAUKXSAKSA-N 420.429 0.678 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 814546952 PCUHEAZSEJLBJA-OAHLLOKOSA-N 409.464 0.966 30 20 HCED C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 815082578 ZWBKFTWBJMEKAC-UHFFFAOYSA-N 401.554 0.854 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N([C@H]2CCS(=O)(=O)C2)C1=O 914557405 PMPGDNNKTMDPQU-SMDDNHRTSA-N 411.505 0.950 30 20 HCED CN(CC(N)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918446821 XGJOEHOHPGYEKT-PGMHBOJBSA-N 423.495 0.162 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 920465110 QUGCZHPDXFECDM-FQEVSTJZSA-N 409.450 0.722 30 20 HCED CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1306548233 YZMAQDXRDACMGI-HOTGVXAUSA-N 417.514 0.795 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 1332402442 GNRCRCIPYSQAIC-UHFFFAOYSA-N 415.443 0.526 30 20 HCED Cc1ccc(C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 1339935781 BPWGYRBUEVEFBI-HNNXBMFYSA-N 413.521 0.836 30 20 HCED Cc1nc(Cn2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)c(F)c3)nn2)no1 1343341703 GGCGBDMNYWIRSI-LLVKDONJSA-N 401.333 0.935 30 20 HCED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1472363577 VXPDVXURLOCRMF-MLGOLLRUSA-N 405.480 0.425 30 20 HCED Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1511074116 NAQYXRCHEWCAIZ-ACJLOTCBSA-N 404.496 0.794 30 20 HCED COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1517739484 JRSUYZSKPWSYSD-UONOGXRCSA-N 414.532 0.632 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H](CS(N)(=O)=O)C1 1539118622 PAEHXHSHYWRLTD-JTQLQIEISA-N 402.270 0.837 30 20 HCED CC(C)(COc1ncccc1Br)NC(=O)Cn1cc(C#N)c(O)nc1=O 1596953711 IKSGSWOOHOQQDY-UHFFFAOYSA-N 422.239 0.952 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1620351226 UEPYUAZZPFJMKY-HNNXBMFYSA-N 419.532 0.820 30 20 HCED N#Cc1cn(CCC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)c(=O)nc1O 1627404080 OZSGMNHFVYMFNT-UHFFFAOYSA-N 401.467 0.898 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)NCCc1nnc2c(=O)[nH]ccn12 1644703583 VWMZUPYLDQCUKP-UHFFFAOYSA-N 417.223 0.789 30 20 HCED CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1710872451 WIYXBEYWCFPFLZ-UHFFFAOYSA-N 406.516 0.261 30 20 HCED C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1741852801 WOWUVDRKHGMMDS-BZUAXINKSA-N 410.544 0.639 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1769349715 IQDMWJSPHYSJEL-UHFFFAOYSA-N 406.454 0.455 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1778787825 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C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3CC)CCO2)C1 1833512100 IVCOSIFHVQGNQX-JTSKRJEESA-N 415.490 0.752 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834328994 ZWQYVAUULDAXBM-DNVCBOLYSA-N 407.471 0.291 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834601695 YETIOYLCUWZEQX-APWZRJJASA-N 410.492 0.664 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCCC3)CCO2)C1 1834646126 NYYJNBMJUFCIIC-NRFANRHFSA-N 406.527 0.915 30 20 HCED Cc1nc(N)sc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834755288 JXRNLHDQZPBBRS-UHFFFAOYSA-N 419.507 0.307 30 20 HCED Cc1cc(C)n2ncc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2n1 1834761086 VUGJEPMHWBBYPV-FQEVSTJZSA-N 412.450 0.330 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CC(F)(F)C(=O)O)CC3)CC2)CC1 1835072712 VAOGMYDNGLQVDR-UHFFFAOYSA-N 412.437 0.972 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1835181907 HAWJBCJNLNHCQA-NRFANRHFSA-N 400.431 0.438 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835621562 LHSCBAAPLUHSNJ-LIRRHRJNSA-N 408.455 0.226 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2)C(F)(F)F 1835858996 LNIQGHVXPNPXCC-OAHLLOKOSA-N 404.345 0.304 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1837305904 MMBQMAOMDZOMKI-YLJYHZDGSA-N 403.483 0.503 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1837395124 PXFFLXACZUSQDC-JXFKEZNVSA-N 406.483 0.063 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nn1C 1838906649 XDWKUZRTYAWJSC-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)c3)CCO2)C1 1838909439 DMEICHJBHIZXPM-IERDGZPVSA-N 404.438 0.934 30 20 HCED Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)n1 1838949899 BYTJUVRICRYAOA-QFIPXVFZSA-N 423.473 0.604 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CCO2 1839450415 MYGPXDKALPODRO-FQEVSTJZSA-N 416.434 0.364 30 20 HCED CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840156232 LOYMWEKXVICPCD-AUUYWEPGSA-N 409.508 0.869 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840162772 HDMLJPZWBODUCT-OXQOHEQNSA-N 411.568 0.780 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840166625 UULUNGPQTNSIBL-OAQYLSRUSA-N 401.463 0.720 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840452350 NJZNEGXZXQZMNR-OXJNMPFZSA-N 402.451 0.609 30 20 HCED O=C1CN(c2cccc(C(=O)N3CC4(CCCN4C(=O)C#CC4CC4)C3)n2)CCCN1 1841540184 AUTYWCUMOKJLEP-UHFFFAOYSA-N 421.501 0.638 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843997792 GJRLENNIZJFOGQ-AWEZNQCLSA-N 401.467 0.425 30 20 HCED C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846166577 ORFZHNHACUVKBV-OAHLLOKOSA-N 413.430 0.593 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(Cl)ccc2C#N)c1=O 6112875 IKORNDNTDZQUPJ-UHFFFAOYSA-N 401.810 0.707 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 7728160 QYLYRWZTJYLTTG-SCLBCKFNSA-N 411.480 0.960 30 20 HCED C[C@@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 143179702 PMLVWXFRGDKPKP-AWEZNQCLSA-N 409.468 0.519 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)CCO1 409501468 MXQBPFPUROMALB-QMTHXVAHSA-N 402.835 0.421 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 432491587 CMXOLPCXOKMSKE-UHFFFAOYSA-N 413.478 0.864 30 20 HCED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 437112568 FFTQZCGSESEAKZ-UHFFFAOYSA-N 412.450 0.758 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 440262189 BGWIJXQETOZELK-MRXNPFEDSA-N 420.491 0.329 30 20 HCED Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N2CCOCC2)cc1 444499971 VAOCEECSHVTJEO-GOSISDBHSA-N 410.478 1.233 30 20 HCED CCS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 447360722 WLKAJNBBHNBOTJ-UHFFFAOYSA-N 423.491 0.948 30 20 HCED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 471239814 ZWGCBQYABUPBCV-LBPRGKRZSA-N 418.928 0.459 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)CC1 474788145 PKBMLUGEYOPOEK-IBGZPJMESA-N 419.551 0.710 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)cn2)C[C@H](C)O1 475182747 LKSFEQVFFGPQHV-GJZGRUSLSA-N 424.461 0.645 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 479972993 UNNXPXWSFKPMLV-MRXNPFEDSA-N 420.535 0.796 30 20 HCED C[C@H](CC#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 481218159 IEAIHOFDQAPPJK-CQSZACIVSA-N 410.471 0.857 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)Cc2ccccc21 481290170 JOPKHYAPHFZCOK-AWEZNQCLSA-N 412.471 0.931 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 486439234 XOXHIFYVIXQWCZ-UHFFFAOYSA-N 409.450 0.931 30 20 HCED COCCn1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486637921 JAKBSZHSJXFUOJ-QGZVFWFLSA-N 403.464 0.481 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cscn2)c1=O 489047657 TZTFHWIQEVENAV-ZDUSSCGKSA-N 419.528 0.902 30 20 HCED C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCOC1 500217508 IPPUTRBMYZXTQS-WBVHZDCISA-N 406.508 0.406 30 20 HCED Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nn1CCC#N 504278437 BQUJTHZTPCKPSI-UHFFFAOYSA-N 416.463 0.478 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CCO1 507222518 BWUJTVXKIOXNJU-KRWDZBQOSA-N 405.414 0.974 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 507959444 WNLLDMJLWIMDSV-GFCCVEGCSA-N 409.464 0.604 30 20 HCED C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508508187 VTJXMUXQXODGHO-UHFFFAOYSA-N 414.466 0.540 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 508511952 WCSBXEZLJOAWHB-OAHLLOKOSA-N 405.480 0.486 30 20 HCED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508923072 SRYSRGLWLDLPHB-ZIAGYGMSSA-N 414.441 0.890 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509231523 GCXXVRDXYHJQPO-HNNXBMFYSA-N 409.578 0.450 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CC(=O)N(C)C)CC1 510878869 PSBCZODDXDYAPJ-CQSZACIVSA-N 406.508 0.942 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 512975631 OCBDRHAZBRXLRF-LBPRGKRZSA-N 408.397 0.853 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 524096200 JARGJJWKFXNGEJ-UHFFFAOYSA-N 420.408 0.960 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 531683999 ZKGSKCKOKSOJJJ-UHFFFAOYSA-N 405.501 0.583 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 550187881 HJGLONIBDXTLSX-UAGQMJEPSA-N 418.469 0.781 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C 550839161 TZEMMJOKGISQMQ-LJQANCHMSA-N 402.543 0.884 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 551211011 MYXNOJZSPPEZTA-UHFFFAOYSA-N 414.415 0.931 30 20 HCED CCOC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)C 554694304 GMMQRRNUJAHHCC-QZTJIDSGSA-N 400.479 0.953 30 20 HCED CN(CCNC(=O)C(=O)Nc1ccc(C#N)cn1)S(=O)(=O)c1ccc(F)cc1 556204470 IHLASPDFSAOVDD-UHFFFAOYSA-N 405.411 0.468 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN4CCCC[C@H]34)C2=O)cc1 556361236 SSBXNUWKZNRFEL-CEXWTWQISA-N 409.490 0.913 30 20 HCED COCCn1cc2c(n1)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCC2 558563883 XUFHIJQPCWNLHM-QGZVFWFLSA-N 417.491 0.873 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(Cn2cccn2)c1 560316474 SFFBZGGHBZPMNW-UHFFFAOYSA-N 420.477 0.816 30 20 HCED N#Cc1ccc(Cl)cc1Oc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561258744 FCEOJNZWUQEORO-LSCFUAHRSA-N 403.782 0.755 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCO1 561703303 ACRGRFDASNGSRH-FGTMMUONSA-N 414.462 0.480 30 20 HCED C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 567528136 LJQIGDKTWBMSEZ-KRWDZBQOSA-N 421.505 0.854 30 20 HCED CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)Nc1cc(C)n(CCC#N)n1 568535730 AHONIOLPEUTXQN-UHFFFAOYSA-N 402.480 1.270 30 20 HCED CSc1nnc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)s1 572920879 PFSHQDDXTYAJDG-UHFFFAOYSA-N 403.493 0.492 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 573997348 VGSVFHRBDVGNEF-MSOLQXFVSA-N 408.543 0.534 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)n1 588745369 QRLRRYLNMYVPIW-LLVKDONJSA-N 400.826 1.060 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C(=O)N1c1cnn(C)c1 611361919 PTNAXJXIUMCODZ-RISCZKNCSA-N 412.454 0.492 30 20 HCED N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 611533129 FVGGCSKAXHDEJB-UYAOXDASSA-N 423.535 0.619 30 20 HCED Cc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)nn1-c1cccc(C#N)c1 611555502 QFWKFWUZTJTALV-UHFFFAOYSA-N 416.507 0.359 30 20 HCED CCC(=O)N1CCC[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 681338451 CLDWWPOHOSHMPJ-HDICACEKSA-N 418.538 0.519 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CN(C)C)CC2)ccc1F 728202644 JSOWHWHQXSIBQZ-UHFFFAOYSA-N 412.487 0.136 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2nnnn2C2CC2)C1=O 742214410 YIECWKKUDLKOHQ-GFCCVEGCSA-N 416.467 0.679 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CC1 743726378 OXIYVHKLDSHEAD-UHFFFAOYSA-N 415.519 0.507 30 20 HCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 744394739 JGYWSLLMACUHKS-UHFFFAOYSA-N 405.886 0.135 30 20 HCED C#CCNC(=O)C1CCN(Cn2nc(-c3ccco3)n(CCC(N)=O)c2=S)CC1 747796003 IJOVJZNPIVORHK-UHFFFAOYSA-N 416.507 0.968 30 20 HCED N#Cc1ccc(NCCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)nc1 748452168 AEQVJEDAIQKVJQ-UHFFFAOYSA-N 422.493 0.798 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)c1 753658127 MFGLGGWNNNHSOF-UHFFFAOYSA-N 404.448 0.744 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)COCC(=O)NCc2cccnc2)[C@@H](C#N)C1 754384325 KSBNBIIPAYBQSC-INIZCTEOSA-N 417.466 0.686 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)C1 762765947 CKWYAGNQCOKOEK-QGZVFWFLSA-N 417.510 0.412 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1cc[nH]n1 770835130 RTSAQHQJXXJERQ-UHFFFAOYSA-N 407.471 0.799 30 20 HCED COc1ncc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 773744208 PQZAMTHHKOUVJY-DAXSKMNVSA-N 413.459 0.903 30 20 HCED CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 773880111 COYWRJCVEWCWIL-QNGOZBTKSA-N 423.495 0.032 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 773952675 BIHPSEPNPTUYLQ-ZDUSSCGKSA-N 409.464 0.135 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 774169886 VEUKJMRZKZUULK-HNNXBMFYSA-N 420.429 0.325 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)CC1 778735746 SCLGJQQKXFPUBV-KRWDZBQOSA-N 411.424 0.893 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780062481 OTRHIZCOIJLCRQ-MRXNPFEDSA-N 415.494 0.929 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 780669248 DVDBXQTWWYGFTM-AWEZNQCLSA-N 413.434 0.803 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-c2csnn2)cc1)[C@H]1CCS(=O)(=O)C1 783475929 RWCKYEOYRBMHTB-AWEZNQCLSA-N 404.473 0.793 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 783617257 BSNBMGGDMZDHFQ-LSDHHAIUSA-N 400.497 0.685 30 20 HCED CCCCn1c(N)c(N(CCOC)Cn2nc(CC#N)n(C)c2=S)c(O)nc1=O 794622555 BPYCAAVVEHGBPC-UHFFFAOYSA-N 422.515 0.772 30 20 HCED C=CCN(Cc1ccccc1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805374027 HRPHAIDPNYQHES-UHFFFAOYSA-N 407.536 0.826 30 20 HCED C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H](C)C(=O)Nc1ncccc1O 808143454 XMRYMWPIPOJPDP-WYSVUXPWSA-N 401.423 0.783 30 20 HCED C=C[C@@H](O)C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 814543645 BRIYNGZFJPGLAA-DZGCQCFKSA-N 412.464 0.433 30 20 HCED CC(=NNS(=O)(=O)CCc1ccccc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814859220 PSDCHVCCXSWWQZ-UHFFFAOYSA-N 423.516 0.832 30 20 HCED CCNC(=O)NC(=O)COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 822354462 KPSXFDOURKAVEK-UHFFFAOYSA-N 424.479 0.674 30 20 HCED COC(=O)c1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)o1 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404.427 0.197 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827197480 SDERKCIJLDITAY-KRWDZBQOSA-N 418.498 0.802 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCCC3)C2)C1 1831390914 AEIPTDNCRCBRRG-KNQAVFIVSA-N 421.538 0.357 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1831425321 SYUMDOLXTNOFRT-GHTZIAJQSA-N 409.527 0.520 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1831426179 KGKPIQHATLDGLJ-QRWLVFNGSA-N 407.442 0.882 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1832456982 FLJPUCHCEPMUGZ-LJQANCHMSA-N 406.508 0.774 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832568680 MTGCAVVOSYQDRS-UTKZUKDTSA-N 421.494 0.555 30 20 HCED Cn1ncnc1C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1834075886 YHOKIBJDZDSWIM-UHFFFAOYSA-N 410.482 0.514 30 20 HCED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1834174029 AAVMIFNQAJUCJV-KQBANSRISA-N 415.450 0.202 30 20 HCED CN(C)CC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834462437 ZNHUHBOXTPTEJV-UHFFFAOYSA-N 406.575 0.401 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834583261 HYGQTNGUQVBKHY-QRWLVFNGSA-N 405.451 0.448 30 20 HCED CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834869500 BMKOMGMSPAHXGA-DZSVRRGNSA-N 408.499 0.284 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5N4)C3)C2)CC1 1835346511 FBMOYPWWVWEBTG-AVRDEDQJSA-N 410.474 0.783 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)s1 1836083402 CBIYPUYAEXSJHK-IBGZPJMESA-N 419.507 0.539 30 20 HCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1)C(=O)O 1836823499 GRDMBHDGRIZFNP-SFHVURJKSA-N 405.495 0.461 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1837295697 XYTHZJUKVYZSRN-QLDGJZPUSA-N 416.522 0.477 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1837524548 JBOHPJUZCJWFMY-YVCMOLFXSA-N 421.454 0.009 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837563250 VHWJIORRNAGMSB-LLEXLLOWSA-N 405.451 0.334 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926855 YHKMMSFMGBKYMI-BDJLRTHQSA-N 400.888 0.518 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1C)CCO2)C(F)(F)F 1838097762 CEYSXQAQXYSXQW-KRWDZBQOSA-N 414.384 0.974 30 20 HCED C[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1838403696 FRMRWBLVLIWFHJ-KKFBNQRMSA-N 411.499 0.895 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839238471 OYCILEPEVWAEEY-AZUAARDMSA-N 424.567 0.980 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839242089 VLDLQRNBTRXGCJ-OAQYLSRUSA-N 415.494 0.719 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CN(C)C4)C3)C2)c1 1839453815 GBQNHQBPIJXUSX-QFIPXVFZSA-N 412.490 0.498 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1839838493 ITKPITWUSUMBBV-IERDGZPVSA-N 409.527 0.817 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C)n1 1840042847 QKLRDPUUKSGKES-NRFANRHFSA-N 415.446 0.110 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1840159894 PZTQQPCWHJCBGS-DOXZYTNZSA-N 408.524 0.657 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840160312 DOWZGAMCLGCBSN-KUHUBIRLSA-N 404.492 0.723 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840162215 PCSODLVCYGQPRR-ZBEGNZNMSA-N 404.439 0.667 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1840168924 YONXXZBJIYGYCJ-OAQYLSRUSA-N 402.495 0.856 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840169562 LMOBWTNVOVHHGS-HRTMPFAESA-N 418.490 0.590 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1840175897 LOHFPIKRGNRFKS-FQEVSTJZSA-N 414.499 0.089 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(F)(F)Cl)CCO2)C1 1840285208 GRUWVTKOFVUVNC-BLLLJJGKSA-N 410.845 0.848 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842213012 AGOKPHCGPRWKDC-UHFFFAOYSA-N 408.414 0.853 30 20 HCED N[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccccn1 1842929561 GLZZMZSLBMTSDF-ZRNXJCNUSA-N 401.467 0.814 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@@H](S)C(C)C)C2 1844284757 OWJFDSJRGPDSGX-GJZGRUSLSA-N 400.497 0.639 30 20 HCED CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197476 UAMITURWGHMOQD-SOUVJXGZSA-N 417.462 0.676 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NCCC#N)ccc1Br 11107916 YCGLPTNSIWEXHJ-UHFFFAOYSA-N 418.269 0.886 30 20 HCED C=CCc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc(OC)c1OC 16171178 ZCHGYBUPSBNNNI-UHFFFAOYSA-N 417.418 0.452 30 20 HCED N#Cc1c(CCCNC(=O)C(=O)Nc2cc3c(cc2Cl)OCCO3)n[nH]c1N 48706129 ASJIQHSMIOWWQF-UHFFFAOYSA-N 404.814 0.976 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c1 116294964 LENRKKMNAAKBFN-UHFFFAOYSA-N 416.459 0.618 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 434089945 CUPFEPKKVSPEDY-MRXNPFEDSA-N 415.537 0.693 30 20 HCED C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 435199912 CFCIVAOPDUHNGP-ZMZPIMSZSA-N 403.826 0.992 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1 439054620 BCZQXIPCGJAECN-IFXJQAMLSA-N 417.491 0.323 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1cnn(CC)c1 440383748 VHZWIUWRLFXYDD-UHFFFAOYSA-N 422.470 0.609 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 440695140 FPLAVRIOQHZYDE-UHFFFAOYSA-N 400.479 0.828 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460763474 QLPWBWXMHLTUDL-UHFFFAOYSA-N 418.460 0.848 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@H](O)C[C@H]1CO)CCCC2 462335472 XPCSRBSNMZQSJS-XHSDSOJGSA-N 402.495 0.784 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccccc4)C(=O)C3)CC2)o1 462450244 IQZQNJPJPCQILU-UHFFFAOYSA-N 408.462 0.852 30 20 HCED CNC(=O)[C@H](NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 464859959 YOEKXZUDJJRQBG-DNVCBOLYSA-N 407.478 0.462 30 20 HCED C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 465821310 YQJSAPGONAEASK-HIFRSBDPSA-N 408.480 0.176 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 473843559 POTVCXNXFAXRRY-SJORKVTESA-N 405.476 0.483 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 475733086 JLBLVHUJDACOHI-FUHWJXTLSA-N 402.561 0.802 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 475735057 BESIJZHABCUNFK-UHFFFAOYSA-N 400.545 0.701 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 484409011 KNMMTYGIAJJTFD-INIZCTEOSA-N 403.870 0.915 30 20 HCED Cc1ccc(NC(=O)Cn2cccc(C#N)c2=O)cc1S(=O)(=O)N1CCOCC1 499027007 VIOPMJCQDICELH-UHFFFAOYSA-N 416.459 0.688 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)c3ccc(C#N)nc3)no2)cn1 504007698 HBACETUPLVXANA-CQSZACIVSA-N 401.408 0.499 30 20 HCED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)nn1CCC#N 504098369 RIKKXTPGPNNNCX-UHFFFAOYSA-N 418.479 0.280 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 507535773 OHLCGVKCDJHXCG-KGLIPLIRSA-N 405.480 0.984 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCO[C@H](C#N)C1 518004043 XSCUDDAEPHTDGJ-GOEBONIOSA-N 408.480 0.259 30 20 HCED COCCNC(=O)CN1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 518759673 WXLMRRGNORWJTQ-UHFFFAOYSA-N 419.551 0.877 30 20 HCED N#CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 520991069 CVOCYOXARYZXKQ-UHFFFAOYSA-N 411.509 0.893 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 522635476 LUCUUHWKEZBZEF-HNNXBMFYSA-N 402.480 0.458 30 20 HCED COC(=O)CN(CC#N)C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 523128532 BJHMYSINZYUPBR-UHFFFAOYSA-N 403.254 0.889 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccccn3)c2=O)cn1 523182975 KUNSNPHCPLPHOQ-UHFFFAOYSA-N 408.487 0.538 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 524275695 RRYQNHXIKOELAA-UHFFFAOYSA-N 400.460 0.524 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CN3CCCS3(=O)=O)c(C#N)c2N)cc1 530745422 ALVKHHSLNVTZNO-UHFFFAOYSA-N 416.507 0.719 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 533063996 OVDQZYNZDWROTA-MRXNPFEDSA-N 417.510 0.443 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1C 541288179 LOIINOLMQVMUEX-UHFFFAOYSA-N 422.510 0.959 30 20 HCED COCCOc1ccc(C#N)cc1NCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 542223970 GHGPKMCFANSADA-ZDUSSCGKSA-N 410.452 0.008 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](CO)Cc1ccco1 545893427 OIEAZRBPNRXGEY-OAHLLOKOSA-N 408.418 0.946 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 552898190 GJSIWQMCNJJSDE-HUUCEWRRSA-N 412.537 0.994 30 20 HCED CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 555985117 SGQRHXSTZXHDSS-UHFFFAOYSA-N 420.473 0.668 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCNC(=O)[C@H]3C)nnc12 559933983 BMTVBRFHKNVHKQ-GFCCVEGCSA-N 412.475 0.669 30 20 HCED COCC[C@@H](COC)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 567551348 MNRDCRRGGDOCKZ-AWEZNQCLSA-N 405.842 1.504 30 20 HCED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 569705393 LGFMCOFFMIODJR-QGZVFWFLSA-N 423.517 0.993 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2cn3c(n2)CCCC3)CC1 574263623 TUBRHNPGHRHINQ-UHFFFAOYSA-N 407.478 0.494 30 20 HCED Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCC2 574310652 UBBQOFODGTULIA-QGZVFWFLSA-N 407.478 0.801 30 20 HCED C[C@H]1CN(CCOC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C[C@H](C)O1 577525502 MZKGVWYEPUPAER-HOTGVXAUSA-N 405.503 0.450 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 589288748 IVWLYXNDNAFGMM-UHFFFAOYSA-N 415.541 0.626 30 20 HCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 590041882 QCJDYNGBJNCSEJ-WFASDCNBSA-N 419.463 0.905 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 603941027 LROIOBPZFFLDMQ-UHFFFAOYSA-N 413.438 0.083 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 608888582 NSYCOIFVPNNLAZ-UHFFFAOYSA-N 412.471 0.821 30 20 HCED COC(=O)[C@H](COC(C)C)N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 610848711 LJABIWHCIOVDIH-INIZCTEOSA-N 407.471 0.402 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 613370630 XHCMVGSMACIPNY-IBGZPJMESA-N 401.507 0.921 30 20 HCED N#CCc1cccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 619476576 NWOLJGLVOJPPSR-UHFFFAOYSA-N 420.516 0.911 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCn2ccnc2)C2CCSCC2)C1=O 643904472 ZXNIBTMMFFHZAG-UHFFFAOYSA-N 405.480 0.584 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 670232347 FRCPGTRGKIXHPT-CVEARBPZSA-N 412.560 0.765 30 20 HCED CO[C@H](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 726723836 HJRIGFGDRHYLAO-QIAIEURZSA-N 410.496 0.979 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1 729671439 MUNVDYNFSMDJFN-UHFFFAOYSA-N 417.512 0.770 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C)cc(S(C)(=O)=O)c2C)CC1 730266785 JAMSNZMJPQIMQE-UHFFFAOYSA-N 412.533 0.857 30 20 HCED O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCCN/C(O)=C1/N=CC=CC1=O 735116637 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C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)cc1 777772337 ZOUURMTZULOTDD-OAHLLOKOSA-N 407.492 0.308 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC)c1 777900152 IBGMUGMXVGPOAE-UHFFFAOYSA-N 421.500 0.883 30 20 HCED CCc1noc(C2CCC(=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)n1 778543640 BLJNRTJDBBOCJY-UHFFFAOYSA-N 410.456 0.022 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 778951799 WWMZWPQOVMJOFR-SFHVURJKSA-N 401.492 0.139 30 20 HCED C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 780232192 KLHLTROFSMLMPK-BBDGKBCFSA-N 422.507 0.667 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 784928476 GWBUJFUCUPTEPW-UHFFFAOYSA-N 403.460 0.560 30 20 HCED COc1cc(C(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OC 787601880 VSPUWIIAKWQGDH-GFCCVEGCSA-N 419.434 0.936 30 20 HCED Cc1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)c(N2CCOCC2)c1 787759405 NTKHVBHTAUSKHF-UHFFFAOYSA-N 422.489 0.943 30 20 HCED 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CC(=O)NCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918263766 JPCMHVTUGWCFAG-CJLVFECKSA-N 423.495 0.080 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1097096819 XREKGELGUXJNHB-SUJAAXHWSA-N 403.483 0.561 30 20 HCED COC(=O)[C@]12CCC[C@H]1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1153630150 BRCYYRCJCNTHMM-DJJJIMSYSA-N 405.476 0.917 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)/C=C(\C)C(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 1263790317 MMVMCRWSKBWFCA-WEEZADPSSA-N 402.495 0.423 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1312479967 GXPARAPPTYMTIH-INIZCTEOSA-N 402.480 0.792 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)C1 1316531735 KMUVPMWZFUXMHO-KBXCAEBGSA-N 424.502 0.810 30 20 HCED CS(=O)(=O)CC1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1319063615 QLTKKINPXWJIQC-HNNXBMFYSA-N 418.475 0.704 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)CC2=O)cc1 1320706714 FPWXYHQMMZUGBF-UYAOXDASSA-N 412.490 0.861 30 20 HCED 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HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1 570439465 NTPIASFNHNZQHM-KRWDZBQOSA-N 416.459 0.737 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 587653999 KVZXUSRTOKXREG-UHFFFAOYSA-N 407.478 0.816 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 609170862 XEDYJLYAIHXQFX-GOSISDBHSA-N 409.494 0.999 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 609283011 NQRRPPOMUGWZJM-OAHLLOKOSA-N 406.464 0.551 30 20 HCED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 615631183 BUFYJZUBPBORCU-FQEVSTJZSA-N 401.442 0.867 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)COC)CC2)cc1 618592610 SOOHACDCOJRWKM-UHFFFAOYSA-N 402.451 0.295 30 20 HCED C=CCN(C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 669730209 CBQXEBMWEWZSRP-OAHLLOKOSA-N 408.480 0.369 30 20 HCED CC(C)[C@H](C(=O)NCC#CCNC(=O)[C@@H](C(C)C)N1CCCC1=O)N1CCCC1=O 680339086 AZWLSHXQABOLPH-WOJBJXKFSA-N 418.538 0.516 30 20 HCED 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HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)nc1 806420644 DMGZKJBIIVMFIL-QGZVFWFLSA-N 406.446 0.793 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCCO1 809311582 XZDCLAFGNSOGJB-ZWKOTPCHSA-N 419.503 0.207 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cncc(C#N)c2)CC1 810042587 BKKYOOSKOZYRHR-UHFFFAOYSA-N 409.468 0.311 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 810778493 ATHHFDJKNLWVRS-ZIAGYGMSSA-N 414.505 0.567 30 20 HCED N#Cc1cc(S(=O)(=O)NC(=O)CCN2C(=O)CCC2=O)ccc1Br 821618501 JNUJCEVBWYYNGV-UHFFFAOYSA-N 414.237 0.665 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 915798951 WRQSSHPRBWMFBM-MOPGFXCFSA-N 420.491 0.912 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)COc2cc(Br)ccc21 916891671 XYVACPDDWLSVQN-NSHDSACASA-N 410.224 0.646 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCNC(=O)C1 1098007667 AAZNBLZYBIFYAY-SUFIHLRJSA-N 404.511 0.038 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1306248626 WKXQAWBYEHFCCN-INIZCTEOSA-N 416.507 0.966 30 20 HCED CN1CCC(C#N)(NC(=O)c2ccc(C(=O)NC3(C#N)CCN(C)CC3)nc2)CC1 1341666022 IWHRPPOEJQEPTQ-UHFFFAOYSA-N 409.494 0.517 30 20 HCED CCN(CC)C(=O)c1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1341885475 MRFCOKXMEZZOFK-INIZCTEOSA-N 405.476 0.748 30 20 HCED CCC(CC)[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCOCC1 1467941895 JJGBQGKAIAOLQM-INIZCTEOSA-N 406.487 0.257 30 20 HCED Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)n[nH]1 1511566898 PQFKFGWZHUSVNX-OAHLLOKOSA-N 412.502 0.262 30 20 HCED CN1CCN(C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc2)CC1 1547446459 YAEBIAQSFFQRDN-SFHVURJKSA-N 410.478 0.316 30 20 HCED COCCN(CCOc1ccc(F)cc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1617253465 QBNPCELLLSAVLL-UHFFFAOYSA-N 404.398 0.904 30 20 HCED COC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1619607382 NSBRTNUZIJIVQS-UONOGXRCSA-N 420.495 0.660 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CCC#N)CC1 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N#Cc1ccc(OCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 5990268 XHAAICICOXJCOB-UHFFFAOYSA-N 417.443 0.487 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2cccs2)CC1 18039204 GMSXNPXEKCECOF-UHFFFAOYSA-N 418.500 0.883 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 143930151 PUJBWXJSLGRQDC-QGZVFWFLSA-N 400.435 0.745 30 20 HCED N#CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 427872689 YMUSGNPKJDQANW-UHFFFAOYSA-N 421.461 0.336 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 434835955 IMEDDWGIYYNDTP-UHFFFAOYSA-N 402.484 0.836 30 20 HCED COC[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCCO1 435289629 OIKAGXDKCZRIQM-GDBMZVCRSA-N 401.398 1.132 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cn1 435316051 OFGWYRWQTSCUOY-UHFFFAOYSA-N 421.392 1.491 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cnn1-c1cccc(C#N)c1 443679938 GIMZLINHOGNPGZ-OAQYLSRUSA-N 410.478 0.818 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1 463681805 QVAWGCRDHXGWKS-UHFFFAOYSA-N 406.508 0.886 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)c1C#N 472250162 SYQMWXRKOOXJCE-UHFFFAOYSA-N 417.495 0.012 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473389468 MSNIATYGYRXKPO-OXJNMPFZSA-N 423.517 0.861 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)C1=O 481108660 LLZXXRDXLXWCSW-UHFFFAOYSA-N 408.418 0.730 30 20 HCED N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2)nc1 490045060 OILOIEIQGVESLD-LBPRGKRZSA-N 413.415 0.325 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 500792324 KFQPTPLQLHVABL-UHFFFAOYSA-N 410.471 0.004 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 502332534 NGYBAYZGOMUPAV-GOSISDBHSA-N 406.508 0.301 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 502492810 HRNWLCSIYIVBMR-UHFFFAOYSA-N 406.508 0.839 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cc2)cc1 503296083 OVVCTUGMBYHDLO-UHFFFAOYSA-N 407.386 0.957 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(C#N)cc1 505309504 DFYOPCGDUXMYKL-INIZCTEOSA-N 420.539 0.439 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@H]1[C@H]1CCCO1 507317652 XJUHVOCORJYSOT-JKSUJKDBSA-N 410.434 0.792 30 20 HCED CN(CC(=O)Nc1ccc(-n2nnnc2O)cc1)S(=O)(=O)c1ccc(C#N)cc1 507862658 KQPPMAXEKZFRPY-UHFFFAOYSA-N 413.419 0.499 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O 508096496 DSQSPKJIJLKSQY-HZPDHXFCSA-N 418.881 0.807 30 20 HCED CCOC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCCOC1 511666972 PQBVYGAVDQNBSR-WBVHZDCISA-N 423.491 0.967 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)CC2)n1 521104136 MKIHBNWUHGZQBV-UHFFFAOYSA-N 421.383 0.677 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1CCOCC 523080152 KYHPMZSYXKFXIF-UHFFFAOYSA-N 420.560 0.994 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)s1 524280999 AGYGBSUAVVHUGE-UHFFFAOYSA-N 424.507 0.907 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3F)CC2)c1C#N 530522174 AZIUXLMDGVIQOD-UHFFFAOYSA-N 406.443 0.349 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C(=O)NC)nnc12 530991444 DVUZSSPRANPNIV-LLVKDONJSA-N 400.464 0.573 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)N1CCN(C)CC1 538071749 FZBFODFUUKYDDQ-INIZCTEOSA-N 403.531 0.836 30 20 HCED C=CCNC(=O)CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 538599145 WTFKNXHRSHRPOW-UHFFFAOYSA-N 404.286 0.488 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NCc2ccccn2)cc1 542512673 UFTRCFAHQZDRAL-UHFFFAOYSA-N 415.475 0.710 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)nn1 545497630 ZHXZIXVYRYLNNX-GFCCVEGCSA-N 414.426 0.300 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)C1=O 546072473 XMMVPEMOKHEJIS-OAHLLOKOSA-N 419.500 0.995 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)C1=O 547401024 SXXDLTFMNXHADP-MRXNPFEDSA-N 423.491 0.387 30 20 HCED CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)C2)no1 550979891 SOPKPUZRNRWYOF-KRWDZBQOSA-N 424.461 0.769 30 20 HCED C[C@@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(N)=O 551351719 GSKCGVQGWNPTJC-GUYCJALGSA-N 417.429 0.851 30 20 HCED CCc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 557111502 IYGPFLZOTNURNA-UHFFFAOYSA-N 418.479 0.163 30 20 HCED CCN1CCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C(=O)C1=O 561307165 FBDGPLKXSXLJTO-UHFFFAOYSA-N 402.426 0.758 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H]1c1ncc[nH]1 569160070 PDZHHUFQGBQKTE-INIZCTEOSA-N 419.449 0.706 30 20 HCED N#Cc1ncn(CCNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 571098565 BRABORPQERODMB-HNNXBMFYSA-N 403.393 0.918 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)cc1 574801687 KJUJMEJZADKJCO-INIZCTEOSA-N 402.407 0.507 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(c3cnccc3C#N)CC2)cc1 577813835 YOFUAPIOTNLXEM-UHFFFAOYSA-N 424.490 0.655 30 20 HCED COc1cccc2c1OC[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2 588036083 QXMWOICDGFGMKZ-CYBMUJFWSA-N 412.450 0.383 30 20 HCED Cc1nsc(N2CCN(CC(=O)N3CCN(C(=O)C4CC4)CC3)CC2)c1C#N 589286111 JHLRKTYBPPCSLB-UHFFFAOYSA-N 402.524 0.526 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)nc2n(C)c1=O 590416228 HGTSYQIWOXHXGW-CYBMUJFWSA-N 406.402 0.192 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604169244 VTPUKFVPJIZCSG-UHFFFAOYSA-N 413.459 0.644 30 20 HCED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608890041 RBCMEXRMLOEWRM-KRWDZBQOSA-N 411.506 0.833 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1 609282711 ICZITNSPYXMHOJ-MAUKXSAKSA-N 412.446 0.544 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609628673 DACVKKSADWOLPN-INIZCTEOSA-N 423.491 0.749 30 20 HCED Cn1cc(C#N)c(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 610561789 QHCRZCCXMVBTEO-UHFFFAOYSA-N 404.452 0.634 30 20 HCED Cc1nc(=NC(=O)c2nnn(Cc3noc(C)n3)c2C)n(-c2ccc(C#N)cc2)[nH]1 618666499 SOSBKBWKORHLIN-UHFFFAOYSA-N 404.394 0.761 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CCCOCC)C[C@@H]2C)C1=O 672648272 SZBMKURTBKAZPX-KSZLIROESA-N 408.543 0.485 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 728530706 OIPQBPNCXQSZEM-IBGZPJMESA-N 409.494 0.431 30 20 HCED COC(=O)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 728689093 JWISPVHRWUGDBZ-QOBDKFOYSA-N 424.479 0.905 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3CC)C2)CC1 729281596 JEFHWFHBTIDNRU-LJQANCHMSA-N 410.518 0.886 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 731973936 PNLMDMWFIKPJBP-UHFFFAOYSA-N 402.436 0.516 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 740510657 SLPYZBDTXYYOMX-UHFFFAOYSA-N 402.520 0.885 30 20 HCED C#CCCN1CCC(NC(=O)CSCC(=O)NC2CCN(CCC#C)CC2)CC1 740737265 IHEPHTSNKBAJHV-UHFFFAOYSA-N 418.607 0.927 30 20 HCED C[C@@H](CC(=O)NCCc1nnc2ccccn12)/N=C1/NS(=O)(=O)c2ccccc21 742491599 NNINWHINRMOWCR-ZDUSSCGKSA-N 412.475 0.905 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCNC2=O)C1 744354619 IQZCQEYHOXXALN-CQSZACIVSA-N 419.507 0.522 30 20 HCED N#Cc1cccnc1NCCNC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752656558 PGPNKKYPAXWJRT-ZDUSSCGKSA-N 409.493 0.561 30 20 HCED C[C@H](CC(=O)NCC1(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 752729862 XNKWTGDGEDDDAK-GFCCVEGCSA-N 413.521 0.445 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCS(=O)(=O)C1 754804209 XWHSBPIHRRESPX-CYBMUJFWSA-N 413.521 0.589 30 20 HCED NS(=O)(=O)c1ccc(NN=Cc2cnc(N3CCOCC3)s2)c([N+](=O)[O-])c1 755465911 SJYWYBWNHBMCDU-UHFFFAOYSA-N 412.453 0.981 30 20 HCED COC(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc(F)c1F 756170553 SNIHVTOMBROKRM-UHFFFAOYSA-N 417.434 0.988 30 20 HCED Cc1ccn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(=O)c1C#N 758180783 HCOOVCOMKJSHMN-UHFFFAOYSA-N 417.447 0.901 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1C 759689744 CCNOMFBIJZWSSV-KRWDZBQOSA-N 420.535 0.785 30 20 HCED C#CCN1CCC(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 772115472 WKMIOQMZQQOZDD-OAHLLOKOSA-N 421.519 0.270 30 20 HCED COC(=O)c1cn(CCOC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 774604051 LWLWRTYOZRXZRS-NSHDSACASA-N 421.435 0.125 30 20 HCED C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCSC[C@@H]2C#N)C1=O 774641838 CABWRSUQOXTVGW-SUMWQHHRSA-N 408.505 0.756 30 20 HCED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 775911339 LHQLBVIWHXPZLC-QGZVFWFLSA-N 413.452 0.562 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 785288863 YEJBXGVYLKABOJ-LUKYLMHMSA-N 414.414 0.589 30 20 HCED COc1ccccc1-n1ncc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1C 798830093 MWVCRUBMVHWAJD-CQSZACIVSA-N 416.459 0.769 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)CC1 799607722 CFJGINXVBIZUKL-INIZCTEOSA-N 408.568 0.118 30 20 HCED C#CCN(C)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 802577003 ZLMOHLPMPULYQF-UHFFFAOYSA-N 402.455 0.564 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCCO2)c1=O 802723554 LRBQUKWEJLOQMD-QGZVFWFLSA-N 413.503 0.739 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(CC)CC2)cc1 803378096 LWJDHQZWVHOCTD-HNNXBMFYSA-N 409.508 0.860 30 20 HCED C=CCCOCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 806101562 JLLPVYSRLQNCRJ-UHFFFAOYSA-N 415.434 0.373 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)CC1(C)OCCO1 807419577 AYUWWSYHYAXJLC-HNNXBMFYSA-N 401.467 0.507 30 20 HCED C#C[C@H](NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)C(C)(C)C 807537082 ZOQMJLZXALEWEL-MSOLQXFVSA-N 413.474 0.804 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1=O 808771305 WRDBRHWEBFWQBG-OAGGEKHMSA-N 422.526 0.993 30 20 HCED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 810781369 PYSVOSGDXFHPSF-UHFFFAOYSA-N 414.505 0.565 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 816994085 FICRJCOCRQQAPP-GOSISDBHSA-N 403.446 0.722 30 20 HCED C/N=C(/NCCCN1CCN(C)C[C@H]1c1ccccc1)NCCN1CCOCC1 849058515 DFOXOZDMRINGFB-NRFANRHFSA-N 402.587 0.862 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1 913343576 NQNWEHPFYOYYOB-GOSISDBHSA-N 411.480 0.823 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCc2c1cnn2CCO 915653430 ADJRIDVQHSYBNV-OAHLLOKOSA-N 417.491 0.498 30 20 HCED N#Cc1ccc(NCCNC(=O)NCCNS(=O)(=O)Cc2ccccc2)nc1 916516679 NWVPXDISJKTUOT-UHFFFAOYSA-N 402.480 0.784 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)c1 918406410 PFKOLJJUAFAKPP-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CN(C)C(=O)CNC(=S)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 918718776 HYINXOPAOMCKQR-UHFFFAOYSA-N 403.487 0.950 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCc3cccs3)CC2)c1=O 919949923 QJVCVVKPMDYAAU-UHFFFAOYSA-N 417.535 0.423 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc(OC)cc(OC)n1 1000575111 QEBOBOOPQZRYML-MRLBHPIUSA-N 402.451 0.947 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074602742 NRMPFWIFFJSKFM-DWQYQCALSA-N 404.507 0.861 30 20 HCED O=C(CC1(CC(=O)N2CCOCC2)CCCC1)NCCN/C(O)=C1/N=CC=CC1=O 1251775329 QVPBORUEOPXRKH-VXPUYCOJSA-N 418.494 0.828 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@](C)=O)CC1 1288807403 SDYPCKIGHCIJGH-QDXKXIGTSA-N 414.557 0.539 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCO1 1360708420 WFOYGYOEAGQQLC-CWRNSKLLSA-N 423.543 0.244 30 20 HCED CN1C(=O)NCC12CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1452036713 WEHZTZGCTVAFPX-UHFFFAOYSA-N 405.480 0.131 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1454049431 PAWFVXAPZYTTJE-DZKIICNBSA-N 409.508 0.343 30 20 HCED CC(C)(C)OC(=O)NCCN(CC(=O)NCc1cccc(C#N)c1)C[C@H](O)CO 1473576031 PBBKGUGNWLPCCL-KRWDZBQOSA-N 406.483 0.354 30 20 HCED COc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(F)cc1C#N 1543058354 RHIQCAFSXPAJIB-LLVKDONJSA-N 408.411 0.810 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H]2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)[C@@H]2C1 1622249552 KOVRZNLTGFEMKQ-RRFJBIMHSA-N 400.501 0.787 30 20 HCED CS(=O)(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1712685739 QHQXVOLRVQXVDF-ZIAGYGMSSA-N 422.511 0.315 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1741675986 SVWLLDLEEADWEI-AKCHCHLHSA-N 417.514 0.133 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1741852800 WOWUVDRKHGMMDS-ARFHVFGLSA-N 410.544 0.639 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1COCCO1 1741922062 SRGCOBWIPBTJOW-ZFWWWQNUSA-N 412.516 0.434 30 20 HCED CC[S@@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1747450870 OJGQBGMSRKAPLR-DBDZUICISA-N 403.468 0.423 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnn2)C1 1779651213 CCBHUERKMGYQOI-DYESRHJHSA-N 414.510 0.886 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)c1 1782194242 FGBZNXCYDSHMSN-OAQYLSRUSA-N 419.445 0.925 30 20 HCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1782358426 BUQMMRMHDPEKGS-NFBKMPQASA-N 418.582 0.941 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1783050229 NCPJYVXTETXKKG-MRUHUIDDSA-N 421.494 0.067 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncoc3C)C[C@@H]21 1783531623 PHKRPGRGZHBSFT-PVPAMPSESA-N 402.451 0.435 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1783704505 FLMSPDRIQQKMJO-ZOCZFRKYSA-N 423.510 0.768 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1784199606 LQQXOKKINYCMEA-UVFQYZLESA-N 420.535 0.812 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ncc[nH]3)C2)C1 1784262711 JROSWMVTNRQDAP-MNBNYPOFSA-N 401.467 0.031 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSCC(=O)O)C[C@@H]21 1785019378 RCPDEMITHLMDCJ-IHRRRGAJSA-N 402.538 0.703 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=S)NCC)C[C@@H]21 1785020102 IGGKSEBHDQOIRE-KKUMJFAQSA-N 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HCED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 440975675 VCBJVBASEQGQPR-KRWDZBQOSA-N 421.461 1.229 30 20 HCED COC(=O)c1ccc(F)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446533129 UDWSSIBBDGTACZ-UHFFFAOYSA-N 406.414 0.625 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN(C)CC(F)(F)F 460611388 JTULSLSHIKJSHX-UHFFFAOYSA-N 409.372 0.996 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)nn1 462098787 QDCGBHQMOVKWCG-AWEZNQCLSA-N 421.421 1.304 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)Cn1c(-c2ccccc2)noc1=O 465473009 KBEYREHUBCFMQS-RDJZCZTQSA-N 421.461 0.737 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)C1=O 467674818 VWEYDUAWKJOFEP-BHYGNILZSA-N 409.508 0.268 30 20 HCED COC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccn(C)n1 470766078 PIOMTEIYYUWUSB-OAHLLOKOSA-N 405.436 0.175 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CC(=O)N2CCCC2)CC1 471687763 KJWCXVHVDJYHER-UHFFFAOYSA-N 407.452 0.395 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)NC(=O)c3n[nH]c4ccccc34)CC2)c1C#N 472997767 GVNUTFUJOSNMIY-CQSZACIVSA-N 420.477 0.944 30 20 HCED CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476062461 RTUCGTQQTCXFHO-IBGZPJMESA-N 411.506 0.720 30 20 HCED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 478847822 KABIKLLOXPKRNC-UHFFFAOYSA-N 405.483 0.723 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C 478858394 VKAUTERVXBNGNK-UHFFFAOYSA-N 411.462 0.799 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 479816508 HYIDKQAWRJETFM-PBHICJAKSA-N 420.491 0.075 30 20 HCED CC(C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 482178361 MMEAVERJYPNECY-VQIMIIECSA-N 421.567 0.613 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C(=O)OC)cc1OC 484786664 PAXKSXPVINNQFJ-SNVBAGLBSA-N 409.507 0.907 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1Br 499214887 DLFLUZTXVNZZEV-NSHDSACASA-N 416.253 0.189 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 502293962 UJBVDZIECDPWBJ-WMZOPIPTSA-N 404.442 0.656 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCC(=O)NC3CC3)CC2)cc1 504470250 VRMIWYXEWUJJEE-UHFFFAOYSA-N 419.507 0.633 30 20 HCED Cc1cc(Cn2nnc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2C)on1 505668163 YDQWMHXWBCTVHG-UHFFFAOYSA-N 409.454 0.807 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 506946833 CBDCNAWSEPQRCI-UHFFFAOYSA-N 409.512 0.841 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)Cc3c(F)cccc3C#N)CC2)cn1 513285868 FIJNQISETMCWRA-UHFFFAOYSA-N 405.455 0.943 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1 514639367 OZZHIUUNSCTBDR-STQMWFEESA-N 408.480 0.967 30 20 HCED CCN1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C 519722814 IATFNVUJOZNKTI-JTDSTZFVSA-N 411.506 0.716 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1Cl 521383991 ZUFDOATUDINCON-CYBMUJFWSA-N 403.913 0.705 30 20 HCED CC[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522418751 GZKDISSBYUTZQE-KRWDZBQOSA-N 406.508 0.502 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2)o1 526002382 NSMXFEDFBJCXRJ-UHFFFAOYSA-N 414.510 0.838 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 532328185 NADPIYJLRWJCKQ-UHFFFAOYSA-N 422.507 0.691 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCCS(=O)(=O)c2ccc(C)cc2)c1=O 536990646 JMJAQUVXIOWKNJ-UHFFFAOYSA-N 405.476 0.716 30 20 HCED C=CCNC(=O)CNC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 539729281 ISUGIIOHXZTMQG-UHFFFAOYSA-N 404.467 0.910 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)NCc3ccco3)n2)c(F)c1 542064125 OTGOMDRYEOEEIX-UHFFFAOYSA-N 410.365 0.847 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O 542097869 GKHOAFUUYSOHOJ-PXAZEXFGSA-N 416.434 0.896 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCSCC3)n2)c(F)c1 542105351 KPUDTDCRVXXFRL-UHFFFAOYSA-N 402.455 0.987 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)n1 543931335 RSTZHNMDBJAJMR-JSGCOSHPSA-N 416.825 0.485 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)CC2)n1 545491973 FZZTXPZNLGCVAJ-INIZCTEOSA-N 418.457 0.844 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1 552733246 JXLHAAWFDNKONS-QWQRMKEZSA-N 414.487 0.999 30 20 HCED CC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@H](C)S1(=O)=O 553798264 NJRMXGWSTFNSBS-HIFRSBDPSA-N 413.521 0.835 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2cnccc2C#N)CC1 557746435 HHYXJOYBOSNMHE-OAHLLOKOSA-N 411.553 0.663 30 20 HCED COc1cc(OC)cc([C@@H](NC(=O)NCCn2cnc(C#N)n2)c2nccn2C)c1 558159510 OYCYRBNXDIKBJZ-QGZVFWFLSA-N 410.438 0.989 30 20 HCED COc1ncccc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564664416 VROGBLKLZBKTBB-QGZVFWFLSA-N 407.430 0.495 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 575355376 YVYFHYWYBZCRBM-MSOLQXFVSA-N 409.494 0.816 30 20 HCED CN1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 576670364 QKYGNXFAVGETSL-SJORKVTESA-N 402.561 0.649 30 20 HCED CCC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 583106832 UNQYRCMHWBBDFK-AVRDEDQJSA-N 412.490 0.929 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCOc1ccc(F)cc1F 584011311 JODIIPLNJHWRTK-UHFFFAOYSA-N 406.393 0.728 30 20 HCED CCN(CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)S(C)(=O)=O 604188173 ZDILRPODEJNEHC-UHFFFAOYSA-N 416.525 0.280 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608992009 VBGIVEYFDXPNCQ-UHFFFAOYSA-N 408.528 0.939 30 20 HCED N#Cc1ccc(OC[C@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 610004400 HZIMCTAETOBJMT-LJQANCHMSA-N 424.505 0.747 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 610782308 MGBOISWNYXPRSY-PBHICJAKSA-N 421.523 0.145 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 610804950 FQTIZFKGVFHNFI-GOSISDBHSA-N 413.526 0.598 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)CC1 672612713 RLGGQNDYHXUJDK-LJQANCHMSA-N 424.505 0.187 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nnc(S)n3C3CC3)C2)C1=O 732172345 XLOFPGUJLRLWTL-LLVKDONJSA-N 418.479 0.585 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CCOC 735068843 GFZHNUFKOWNXOO-UHFFFAOYSA-N 401.463 0.809 30 20 HCED C[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1CCN(c2ccc(F)cc2)CC1 735116560 PFMJQPFZTWPWCP-RLBWVDARSA-N 415.469 0.979 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccnc2)cc1 735907749 KYGWTBSALNYLMM-UHFFFAOYSA-N 402.432 0.860 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(COC)c2)c1=O 743728319 IMNORQDSDNAZHB-UHFFFAOYSA-N 413.499 0.484 30 20 HCED CCOc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC(=O)NCCOC)c1 743735361 GOMPYRVPBJWZTD-HNNXBMFYSA-N 422.507 0.916 30 20 HCED C[C@@H](CC(=O)OCCn1ccc([N+](=O)[O-])n1)/N=C1/NS(=O)(=O)c2ccccc21 748133258 KFFQTABTQIEFQL-NSHDSACASA-N 407.408 0.852 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)CC1 748651581 OUBTYVRUGOTERL-HXUWFJFHSA-N 420.416 0.832 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)Cc2ccc(C#N)cc2)CC1 750337615 PYHOWUSABMZKLC-UHFFFAOYSA-N 400.479 0.703 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)n1 760426258 PMRCNHAQWZUDRM-UHFFFAOYSA-N 407.356 0.896 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)NCCS(=O)(=O)N3CCOCC3)CCO2)c1 761673855 DHKHAMAOPRAVST-KRWDZBQOSA-N 408.480 0.303 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1 762539056 UZOGQZQTURZXIU-UHFFFAOYSA-N 417.397 0.374 30 20 HCED Cc1cccnc1CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(F)(F)F 771890000 DBUXDWJQWKKTBL-UHFFFAOYSA-N 419.385 0.227 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 773794300 UFJAMHNESVOPJK-SJORKVTESA-N 405.476 0.707 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C)[C@@H]1CCCO1 773800107 UUQLFUFHHHGTTM-HOCLYGCPSA-N 405.476 0.671 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCCO1 775797249 CANCHKGKJJTGKM-RBUKOAKNSA-N 421.519 0.299 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2C)c1=O 777945690 PJFXUYHVYNWIHS-UHFFFAOYSA-N 411.458 0.352 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 778132668 AUSAGILIWUQUMG-CYBMUJFWSA-N 423.447 0.272 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)cs2)c1=O 782792588 JEYYIPKLEUFYBE-UHFFFAOYSA-N 419.915 0.620 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 783351355 XQCGXPQYXRHYRR-UHFFFAOYSA-N 407.492 0.968 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 783616451 IKSGGUQZNZMAEE-CQSZACIVSA-N 418.541 0.144 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1=O 784026306 ABVPSOGFKVBXGE-QGZVFWFLSA-N 402.426 0.794 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1nc[nH]n1 785056858 AEZDBDBOEUJNKL-VJIMGLEQSA-N 419.467 0.433 30 20 HCED COC(CN(CCCO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)OC 785073892 PDVUXINWAZRWGQ-UHFFFAOYSA-N 419.413 0.651 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1CCOCC1=O 785284160 UQDIAJJAVGVTPQ-UHFFFAOYSA-N 423.491 0.688 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 785435837 IEIDOXXSSVSSQE-MRXNPFEDSA-N 405.520 0.923 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 786700688 VIRHCUJKGFGTHB-AWEZNQCLSA-N 409.443 0.883 30 20 HCED CCOC(=O)CON=C(C(=O)NC[C@@](C)(O)c1ccc(F)cc1F)c1cc[nH]n1 789987858 YAXSTZHTHIPARY-GOSISDBHSA-N 410.377 0.996 30 20 HCED CC(C)N1CCN(CCCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 791510972 IGAWHNRVJYGTSF-UHFFFAOYSA-N 408.524 0.684 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795198031 RYAWLICKGYFXFA-YOEHRIQHSA-N 423.542 0.783 30 20 HCED C#CCNc1nc(NC[C@H](O)C2CCOCC2)nc(NC[C@H](O)C2CCOCC2)n1 804466779 MDCXOGUWKLBCRP-IRXDYDNUSA-N 420.514 0.316 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 806279345 LUNTZDXNUUBYQD-UHFFFAOYSA-N 411.553 0.188 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCCO1 808830628 IBZVWOUATNSTSF-XPGWFJOJSA-N 415.490 0.943 30 20 HCED CO[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 810469639 NJMIUSYQFGNDET-BBVBSRCGSA-N 410.496 0.978 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 810583682 YHAPSDPAMLQVKL-AWEZNQCLSA-N 414.509 0.094 30 20 HCED CC(C)S(=O)(=O)CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 811556902 PONSKXHJYCARGH-LBPRGKRZSA-N 401.510 0.443 30 20 HCED CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250109 ININYLPQIHQXAX-CYBMUJFWSA-N 422.457 0.890 30 20 HCED N#C[C@H](C(=O)NCc1ccccc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 916888878 BOYJXWDNQREUFC-JYJNAYRXSA-N 403.460 0.047 30 20 HCED COCCNC(=O)CN1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 917064732 IWFMOUMNDAEMCM-HNNXBMFYSA-N 415.519 0.853 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c1 918406714 WXQTUOHBDQZNRG-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 921132751 XQCRBVPJQOEURX-UHFFFAOYSA-N 423.311 0.966 30 20 HCED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1 997831162 JBUXOQORMMCTKQ-OSBBLCOHSA-N 402.499 0.435 30 20 HCED O=C(N=C1NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)o1 1115867152 JAWXLVHNALCKEC-UHFFFAOYSA-N 409.445 0.943 30 20 HCED C=CCn1c(S[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1cnccn1 1116305052 RVTSOXWQPVTPGI-NEPJUHHUSA-N 408.509 0.705 30 20 HCED COC(=O)[C@H](COC1CCC1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1150790385 NGJGHUAUPLIBAN-DYVFJYSZSA-N 423.491 0.794 30 20 HCED Cn1c(C#N)ccc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1301191482 KQMWACGIBQDYOD-UHFFFAOYSA-N 401.492 0.633 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(C)(=O)=O 1301974578 QRBVPDRZULEEBB-AWEZNQCLSA-N 416.511 0.662 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nncn1C 1303848984 KJVIQFJNQPVZBA-MLGOLLRUSA-N 407.504 0.195 30 20 HCED CS(=O)(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316337040 QPIXUVRBLJRSFW-HNNXBMFYSA-N 402.480 0.570 30 20 HCED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(F)(F)F 1319195331 JLICFPOIZZRPGY-VHSXEESVSA-N 406.386 0.408 30 20 HCED N#Cc1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1323464406 JESCSVKRFWCPHX-UHFFFAOYSA-N 404.492 0.683 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(O)(CN4CCOCC4)CC3)CC2)o1 1339619220 YPDFYMDQIBIGGD-UHFFFAOYSA-N 417.510 0.757 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1359474901 YIJGMWJXXSYEEE-WDEREUQCSA-N 422.433 0.455 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cncn4)n3)CC2)cc1 1464037501 SJGLIJCHPPSMQF-UHFFFAOYSA-N 423.458 0.681 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508406156 KCFLOAUCMZRBNF-LSDHHAIUSA-N 423.543 0.391 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1537642083 JYJKDRKEOATBHK-GFCCVEGCSA-N 408.480 0.851 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCC2(N3CCOCC3)CCOCC2)c(F)c1 1561636743 ZHOIEERLCKLNPH-UHFFFAOYSA-N 401.435 0.996 30 20 HCED 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HCED C=CC[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825329049 NIIOHZJYLQOJTQ-ZIAGYGMSSA-N 410.540 0.554 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1826684706 JRBYWTTVXDVBSS-GOSISDBHSA-N 406.527 0.196 30 20 HCED CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1830009152 FQZPNMSBOXUTRI-QFIPXVFZSA-N 415.490 0.982 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H]2CCCS2(=O)=O)CC1 1831285849 NBAARGXXBBHRLJ-HZPDHXFCSA-N 410.492 0.271 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3CC)C2)C1 1831391147 IHJYPIULXBRVHF-QRWLVFNGSA-N 405.451 0.345 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3Cl)C2)C1 1831396487 MSCMTDPULSRDPC-YWZLYKJASA-N 421.881 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1831396725 QDZYKBQPHMGEID-OXJNMPFZSA-N 404.467 0.135 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1831419594 NVLGFPWCMBZTOJ-FOIQADDNSA-N 407.442 0.882 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)c3ccco3)CC2)CC1 1833086030 CPTCDUHNTJAYAH-OXJNMPFZSA-N 417.506 0.923 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1833149932 QHTVQCAINWCCBM-UHFFFAOYSA-N 401.515 0.790 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1833464679 MRGZTBJBVCRWID-QGZVFWFLSA-N 418.538 0.219 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N(C)CC)CC2)CC1 1833466757 NWZDBLYWTFFEHW-QZTJIDSGSA-N 406.571 0.937 30 20 HCED CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834869501 BMKOMGMSPAHXGA-TTYLXTBDSA-N 408.499 0.284 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1835096352 CZXCEMYGWXZKRV-FYYLOGMGSA-N 424.453 0.821 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099057 YCQFISVQONWIGN-ZEYPLWLESA-N 413.518 0.868 30 20 HCED CC(C)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835483095 IQZZXANVFQUGHY-NRFANRHFSA-N 410.486 0.890 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835516112 MBJPQVGLPTZSMW-HNNXBMFYSA-N 406.455 0.281 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835811470 HOSJFCQMXGJLTP-RXVVDRJESA-N 400.479 0.489 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3[nH]ncc3c1)CCO2 1836807553 AYGCBHNXEMMBBI-OAQYLSRUSA-N 409.446 0.441 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837693344 ONKLYELYFSVFQM-IDHHARJASA-N 413.540 0.088 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837805741 PSTHWDOYJBQDHQ-FQEVSTJZSA-N 412.450 0.610 30 20 HCED COc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1C 1838561933 JOQAWPWELQPBFL-UHFFFAOYSA-N 418.450 0.129 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n[nH]1 1838737853 BCOHRJOPMMCHJD-HXUWFJFHSA-N 412.450 0.231 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1838741293 JFQZFVWCGWUZCY-SFHVURJKSA-N 410.536 0.976 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(O)c1 1838888250 XGIPJYVDGMTILN-OAQYLSRUSA-N 415.446 0.775 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC=O)CCO3)c1 1839164578 RLAPVWNUVLXLIW-HRAATJIYSA-N 414.462 0.071 30 20 HCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)CCC#N)C3)C1)CCC2 1839582696 HGDBPSFWNLDTLA-FQEVSTJZSA-N 401.467 0.283 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839845614 VOXSLHPJONCIJB-KSSFIOAISA-N 400.497 0.473 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839845618 VRXJTPZVWYBYAL-GUYCJALGSA-N 421.416 0.334 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4ccccc34)C2)C1 1840042630 FYLILGFHTSVGIY-QFIPXVFZSA-N 423.425 0.393 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840204617 URVIAFUZLZZEAM-IIBYNOLFSA-N 401.463 0.592 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1840882897 PEXJIMOLFPPSIJ-WHSLLNHNSA-N 421.494 0.379 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1843402356 AUNBDLINCMMHJA-ZFWWWQNUSA-N 408.524 0.975 30 20 HCED C[C@@H]1[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CCN1C(=O)OC(C)(C)C 1846197465 RIWBVWBNGKJVJT-HUUCEWRRSA-N 419.478 0.923 30 20 HCED C=CCC(=O)N1CCCC12CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C2 1846378707 HZOBPCLFXXWWPU-UHFFFAOYSA-N 420.510 0.845 30 20 HCED C=CCC(=O)N1CC2(CCCN2C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1847123719 CTXVMBZMCGCGDD-UHFFFAOYSA-N 420.510 0.845 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847436792 BBHFRONFRQBDQO-WLGNDBIMSA-N 405.520 0.686 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847785560 ZBVPWMAVNWSFCH-JYJNAYRXSA-N 401.529 0.499 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 32831427 KYAKYBOUBYNDJZ-SFHVURJKSA-N 421.479 0.710 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)[C@H](C)c2ccccc2OC)c1=O 53576800 KNUSFJQCLKHZKJ-OAHLLOKOSA-N 414.462 0.772 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)c1 53744709 QXGVFQMMDXHPMW-UHFFFAOYSA-N 408.414 0.715 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 409549886 CIGCQIJVIPEMQM-UHFFFAOYSA-N 410.525 0.354 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O 427286538 GIGSNZHIFCJZKZ-CYBMUJFWSA-N 404.810 0.538 30 20 HCED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 442187215 VMARIOOYZCSYRZ-UHFFFAOYSA-N 406.386 0.961 30 20 HCED CC(C)CN(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 443464704 LPULJZSVRCYFSN-UHFFFAOYSA-N 414.553 0.838 30 20 HCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)c1 445249673 MQHFCYMLBOBELP-UHFFFAOYSA-N 400.460 0.562 30 20 HCED Cc1nsc(N2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)c1C#N 461191132 IPPGKIPJNZYIPE-UHFFFAOYSA-N 411.491 0.617 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)n1 462604093 RYWYLFWUARZIQI-ZDUSSCGKSA-N 406.468 0.940 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 465257505 FZMVCKMERYSVHT-GFCCVEGCSA-N 404.452 0.542 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)c(F)c1 467141775 ZGSHEGNJCKJDLG-UHFFFAOYSA-N 406.392 0.222 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2ccnn2C)C1)S(=O)(=O)c1ccc(C#N)cc1 470331578 XYWXFLCNIIELAG-INIZCTEOSA-N 416.507 0.697 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(C)C 482563479 WBSWXFAWEZZRDU-UHFFFAOYSA-N 416.528 0.765 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 490064406 PYBXRDFUHVCTKB-INIZCTEOSA-N 414.462 0.993 30 20 HCED COCCc1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n(C)n1 490515194 UXJMPJYLXIPMHY-GOSISDBHSA-N 410.478 0.784 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1=O 499990353 WNQGSERNMRSSJW-SUMWQHHRSA-N 406.508 0.330 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@H]1[C@@H]1CCCO1 507317648 XJUHVOCORJYSOT-HOTGVXAUSA-N 410.434 0.792 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1)C(N)=O 508962634 AOJKTMZEDUYPDG-UHFFFAOYSA-N 403.414 0.255 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 512623576 GCCZQIZEXCNCND-QZTJIDSGSA-N 405.524 0.830 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)cc1 522304010 JQKVCPYCLWIUHO-INIZCTEOSA-N 403.508 0.811 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1 523001855 QLOCFFXXCHPPQV-UHFFFAOYSA-N 423.495 0.427 30 20 HCED CCOCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2C)c1=O 523735621 FKNGVKJCPDDNDK-UHFFFAOYSA-N 423.498 0.822 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1C 536451388 YAJVEAXZBOLACQ-JKSUJKDBSA-N 410.434 0.448 30 20 HCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)cn2)cc1 538417409 PMOYCRRMKQEGJN-HNNXBMFYSA-N 417.472 0.754 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 543394330 IMUDUSLJWHQKLC-LLVKDONJSA-N 420.882 1.000 30 20 HCED CC[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC(=O)N1 544465156 SWCPMODWIXEAPM-JKSUJKDBSA-N 404.492 0.696 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 546707922 OLOUFSMUHAZQCQ-UHFFFAOYSA-N 421.457 0.970 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COCCOC)C1 549274715 QVCLABBCCCCOCL-GJZGRUSLSA-N 401.533 0.954 30 20 HCED C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1cccc(C#N)c1 550979383 WZAGARGARQNOFX-QGZVFWFLSA-N 406.490 0.896 30 20 HCED Cc1cc(C#N)cnc1C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 555967829 YTCUCCDVAJEJGB-QGZVFWFLSA-N 406.508 0.613 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cnn(CC(F)(F)F)c2)cc1 558546092 DTVCCRWLTIGAOY-UHFFFAOYSA-N 401.370 0.912 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CC2 561573819 DKPBIZCIOAFZTK-LJQANCHMSA-N 421.505 0.481 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CCC(C)(C)C#N)c1 562004543 NREPYOMYXDCEMN-UHFFFAOYSA-N 402.498 0.392 30 20 HCED Cc1nsc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)cn3C)CC2)c1C#N 562178671 HAEYRTPDOAWKDO-UHFFFAOYSA-N 422.536 0.874 30 20 HCED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 569974074 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COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612367242 CHXJFZJWWAKCRE-FNHZYXHNSA-N 407.492 0.971 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 728538364 GSODCJFRQXEVND-UHFFFAOYSA-N 417.491 0.379 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1 728590179 VNIOHMHSJOSSSE-UHFFFAOYSA-N 401.901 0.105 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)Nc2ccccc2)c1 729382416 JMTOBJVRJYCWJU-UHFFFAOYSA-N 416.415 0.728 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 731861215 POFPCGZXEAYAJE-FUYOWACXSA-N 424.504 0.544 30 20 HCED Cc1cc(=O)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1ccccc1F 731861302 VRBXPPWSMRJPBY-HTXNQAPBSA-N 411.393 0.936 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731862919 MUUBHJAQCVYHKQ-HTXNQAPBSA-N 420.491 0.973 30 20 HCED C[C@@H](CS(C)(=O)=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 733287235 KEOSPKCHGWTMOW-ZDUSSCGKSA-N 415.537 0.835 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 733804410 CUJBSFFSCQGTOQ-CVEARBPZSA-N 422.507 0.860 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(C(N)=O)C1 733972127 QYWMGAWXXMOINV-OCCSQVGLSA-N 407.496 0.553 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 737269020 YWTMDQXDPHQKBZ-UHFFFAOYSA-N 421.457 0.992 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC1 742068526 TVIMPBAZHHKPBQ-NRFANRHFSA-N 416.497 0.483 30 20 HCED COC(=O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 742956806 UPNHJAHYXCSEFA-UHFFFAOYSA-N 423.491 0.686 30 20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748738972 XHXBCDKLYSXAKL-AWEZNQCLSA-N 424.548 0.884 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1NCCC(=O)N1CCN(c2ncccn2)CC1 751225860 UCBOXRIUHDXBRL-UHFFFAOYSA-N 415.479 0.146 30 20 HCED O=C(O)Cn1cc(/C=C2/CC[C@H](C3CC3)/C(=C\c3cn(CC(=O)O)nn3)C2=O)nn1 759082643 GQXKWBKXPRPFLD-CERMNKOBSA-N 412.406 0.895 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1 759465217 ODBPKCJVNGGSCK-UHFFFAOYSA-N 413.521 0.094 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761172567 OBZZTMDVIOIWTR-DGCLKSJQSA-N 412.443 0.501 30 20 HCED C[C@@H](CC(=O)N1CCS(=O)(=O)C[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 762660040 VJVABZFBBPEBJV-OLZOCXBDSA-N 413.521 0.397 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccn(C)c2)c1=O 763460744 NFMRRGABRYOFEY-UHFFFAOYSA-N 420.494 0.722 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 766760248 UIEYMMPZYNFLAJ-UHFFFAOYSA-N 423.495 0.629 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(C)c2=O)cn1 767881246 KTQXVSQQPMWZFQ-UHFFFAOYSA-N 400.504 0.942 30 20 HCED CC(C)(C(N)=O)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 769669041 PIDOFTISBVEAKB-UHFFFAOYSA-N 415.406 0.510 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)CC1 771509886 OVXNIUVKBRPJHU-UHFFFAOYSA-N 402.436 0.497 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1)[C@H]1CCCO1 773782991 DHXVQHMLOWVHNX-LSDHHAIUSA-N 408.432 0.112 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 783004214 ZLFBWWHSKGJEKC-UHFFFAOYSA-N 421.463 0.448 30 20 HCED C[C@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)NC1(C#N)CCC1 787550893 DLBVTYVDTXCDKI-NHYWBVRUSA-N 401.398 0.740 30 20 HCED C=CCCN(OCc1ccccc1)C(=O)C(=O)NC1CCN(CC(=O)NC)CC1 788050533 ZGYUDTXSNMMWDN-UHFFFAOYSA-N 402.495 0.850 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CCNS(C)(=O)=O)cc2)n1 788810197 FMVIVMITSXNMMY-UHFFFAOYSA-N 418.519 0.897 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789119511 RDRURHOBZJHRKH-IFXJQAMLSA-N 409.483 0.958 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1CCOC 790421549 OONQNPSVOQYHIB-UHFFFAOYSA-N 413.499 0.594 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCC(=O)NCC#N)c1 796217873 PWFZLNOGVFGTHN-UHFFFAOYSA-N 422.916 0.289 30 20 HCED C[C@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 801293132 RNTDSFSEZLWRPT-WYGQYTNYSA-N 409.446 0.153 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CC2(C#N)CCCCC2)(C(N)=O)C1 805077581 COFPMNFNQYNZRK-UHFFFAOYSA-N 400.501 0.855 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 806877909 IHXZQLJAOQSPFW-UHFFFAOYSA-N 418.837 0.597 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 807064039 BQONBCJZKGZVNQ-UONOGXRCSA-N 403.435 0.413 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)ccc1F 808013036 LUIJSBWDAVZEBC-AWEZNQCLSA-N 410.471 0.605 30 20 HCED C#CC[C@]1(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 808593866 BJINLQWXCSQCCX-VBKZILBWSA-N 409.483 0.916 30 20 HCED CC[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)OC 810485206 XWOCHFLOTPNXKF-VDVBZYJVSA-N 410.496 0.979 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 815338453 AXAPUKZUADBHNE-CVEARBPZSA-N 421.475 0.613 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 916198617 AEKBSTXIUZDOJE-UHFFFAOYSA-N 401.444 0.609 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 918617279 YJWNPCITFCOHLM-CPNJWEJPSA-N 407.412 0.638 30 20 HCED CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1116936608 JXBGISWNRGCHLH-OAHLLOKOSA-N 401.496 0.793 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccncc1OC[C@@H]1CCOC1 1117411038 NYZBEGZYQUEZRM-IWHJNQCMSA-N 415.450 0.823 30 20 HCED COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1153804454 YZQPXEOGFQCGTI-INIZCTEOSA-N 403.416 0.461 30 20 HCED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1211401864 MNDPJPGKRPNINC-JTQLQIEISA-N 402.270 0.534 30 20 HCED CCN1CCN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1251842621 KYIXGDYLMULXEM-SFHVURJKSA-N 412.494 0.517 30 20 HCED CS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1316364129 XVEKAPCKTUWNRM-QGZVFWFLSA-N 410.450 0.999 30 20 HCED 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COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)cc1 1748727533 ZSNMMFLMSXKAMW-KRWDZBQOSA-N 419.507 0.845 30 20 HCED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1777980457 NXJPUGWOCOFGFF-STXHMFSFSA-N 405.499 0.641 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1778975105 KVVYSQAYDRZWJR-UTKZUKDTSA-N 402.495 0.846 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1)C(F)(F)F 1779041774 LKSDKFUXXCGKNI-OAHLLOKOSA-N 408.446 0.419 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cnn1C 1779062455 KGJUMMUCQLSAKV-QFIPXVFZSA-N 414.506 0.871 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cncn1 1779137712 CJDOXYRAVNTSMH-RBYVANAVSA-N 400.439 0.381 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522138 SCHYVJAFEZPBMV-HXUWFJFHSA-N 418.450 0.601 30 20 HCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)CCC2 1780335670 CHUCEVQCRUOIGC-OAQYLSRUSA-N 408.462 0.866 30 20 HCED 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HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788621767 JYDNCUUBAMLUTL-ZBRFXRBCSA-N 417.510 0.848 30 20 HCED CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)C1 1788637612 XYJOFPWGDVIJHA-WDSOQIARSA-N 403.523 0.226 30 20 HCED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CC(=O)NC3=O)C[C@@H]21 1788734181 RWHJZBXFIMQUGW-JYJNAYRXSA-N 420.510 0.510 30 20 HCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(=O)N(C)C)C[C@@H]32)c1 1789255946 OQUDMIFPBRDCSF-WBAXXEDZSA-N 414.462 0.248 30 20 HCED CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955217 IOROTTUCPKMDLZ-WQSJQKKOSA-N 409.483 0.886 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)n1ccnn1 1790642778 ISYVHRPSMJSJIP-GTAWCEEGSA-N 407.474 0.871 30 20 HCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4CN3)C[C@@H]21 1791259267 UGRYRZJWIAJRSW-RUZYHRDJSA-N 403.548 0.999 30 20 HCED 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CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)s2)c1=O 477016114 ZGELCJAIFVJGNR-UHFFFAOYSA-N 405.501 0.362 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 481237560 YACQHXGEEGCSKZ-KSSFIOAISA-N 412.471 0.925 30 20 HCED COC(=O)CN(CC#N)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 485050510 BSDLRTFTLFNMRN-UHFFFAOYSA-N 415.494 0.385 30 20 HCED CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486004596 LPDDTIYWFNLFFV-MRXNPFEDSA-N 411.462 0.886 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 488854262 JYEKAKYFCVFOEM-OAHLLOKOSA-N 413.521 0.918 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)CC1 491053320 SGMBNYCMNNOGLV-UHFFFAOYSA-N 415.494 0.666 30 20 HCED O=S1(=O)C[C@@H](O)[C@H](N2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)C1 498974896 PRXZRRAIZKVWSU-IAGOWNOFSA-N 418.437 0.712 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C#N 499489695 YHPPJYQFWCDEAP-UHFFFAOYSA-N 402.411 0.299 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccs2)c1=O 501766587 QWSJIKLOLJTQMK-UHFFFAOYSA-N 419.528 0.952 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2c(-c3cnccn3)noc2=O)CC1 502855354 KRWCHNHGIZSGOM-AWEZNQCLSA-N 411.447 0.764 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(CC#N)CC#N)CC2)cc1 503653551 FOSDUEJWGRDDGD-UHFFFAOYSA-N 417.491 0.484 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cn1 507433806 KAWQUTUYISMTBZ-UHFFFAOYSA-N 421.523 0.192 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 507516672 JVQNDAQRDWURLV-SFHVURJKSA-N 406.508 0.948 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-n2nnnc2O)cc1 507876048 VTVCQIZALFLKIQ-NSHDSACASA-N 413.419 0.545 30 20 HCED CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)NCC(=O)NCC#N)c2ccc(Cl)cc21 509016215 MUQMNQQVPSJPCZ-NSHDSACASA-N 405.842 0.004 30 20 HCED COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 514156575 USGWTHZZAVSHJG-LJQANCHMSA-N 407.474 0.976 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCCOc1cccc(C#N)c1 518917453 YQTCJKYBJLCPKU-MRXNPFEDSA-N 407.492 0.869 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(OC)c(F)c3)CC2)C1=O 523312894 YQCLOMPVBRMGCV-UHFFFAOYSA-N 418.425 0.455 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCOC2)c1=O 532755849 YMTWREOVMFYJPA-ZDUSSCGKSA-N 400.504 0.798 30 20 HCED N#CCC1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 541948758 LUHSUPAVFLLHPL-UHFFFAOYSA-N 420.535 0.949 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 542300451 VIDTUINPPSZYGS-UHFFFAOYSA-N 411.422 0.151 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543920507 AAIUZEGIRUQEQD-UHFFFAOYSA-N 424.870 0.391 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CC(N)=O 545208193 BUJCSGKDCLNAEV-UHFFFAOYSA-N 418.906 0.386 30 20 HCED CCS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(C#N)cc2OC)CC1 546626645 VKYADWDKYMMASO-UHFFFAOYSA-N 401.510 0.907 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cccc(C#N)c3)C2=O)cc1 550586770 YZKWGCBJWTXOQY-IBGZPJMESA-N 401.426 0.963 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1=O 559370461 OOHJOLJXPUDCGZ-QGZVFWFLSA-N 406.527 0.383 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2-n2ccnn2)CC1 560055146 PZAJJINURXPIGP-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCCn1cc(CO)nn1 567086789 VTRVTMLTEQMXFE-UHFFFAOYSA-N 400.258 0.773 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(O[C@@H]3CCOC3)CC2)n1 574164304 ORFAEMVYEJWZOL-OAHLLOKOSA-N 410.434 0.874 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)n1 579937823 LXJLSXAFWFLTJJ-UHFFFAOYSA-N 420.408 0.960 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1cccc(C#N)c1 587707175 YXTNWTGMWDHQCK-KRWDZBQOSA-N 411.506 0.892 30 20 HCED COC(=O)C[C@@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 588214907 YJUMBASULFSXEH-MOPGFXCFSA-N 418.469 0.798 30 20 HCED C=CCN(C/C=C/CN(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 595578060 GXXSYMCACYQCFQ-FBLDJFESSA-N 402.582 0.893 30 20 HCED COc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1[C@]1(C)NC(=O)NC1=O 609850486 LWWCNIBIURYYGQ-KRWDZBQOSA-N 405.436 0.568 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 610391941 KSRLEAYENWMZKC-UHFFFAOYSA-N 412.487 0.521 30 20 HCED COCCN(CCC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 610485642 TYJLMBHTEZMSHO-UHFFFAOYSA-N 411.480 0.718 30 20 HCED COC(=O)c1cc(C(=O)NCC#CCNC(=O)c2ccnc(C(=O)OC)c2)ccn1 614022143 WFYNOGPNNPSSQM-UHFFFAOYSA-N 410.386 0.213 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 675404082 FKPSFGBXOVRNFA-QGZVFWFLSA-N 424.505 0.877 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725949996 JDBAPLGREQGIAX-NILFDRSVSA-N 407.398 0.345 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)C1=O 726043642 PAHMZIGXRQHJRI-UHFFFAOYSA-N 411.317 0.747 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1 726559652 MNXVTPABMWCWSL-UHFFFAOYSA-N 411.483 0.913 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 728538443 JWJWMZIBBDIAJG-UHFFFAOYSA-N 417.491 0.379 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4n[nH]c(C)c4c3)CC2)o1 744783205 SYVMXPVIIQICLB-UHFFFAOYSA-N 409.406 0.940 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2OCC=C)CC1 746597401 PIPQOFYREIUAIC-UHFFFAOYSA-N 407.474 0.944 30 20 HCED Cc1c(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 748434176 JDLYJCKKSLJOTK-ODXCJYRJSA-N 415.450 0.540 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC(N)=O)CC1 748550216 BTGBYRFRNVXORS-HNNXBMFYSA-N 421.523 0.799 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1=O 748560873 MWKDYEADPKCRLT-UHFFFAOYSA-N 418.425 0.380 30 20 HCED CNC(=O)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 750962251 NVKDRCSZBQEHLQ-XMSQKQJNSA-N 419.441 0.929 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 756889354 ZVWTUGISAMQIDI-RWMBFGLXSA-N 402.517 0.826 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C1 758771231 ZVSBBIHRRREIPI-DOMZBBRYSA-N 424.479 0.588 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](O)COc2cccc(F)c2)cn1 763372942 DRGRHUQQZKKUTG-MRXNPFEDSA-N 424.392 0.773 30 20 HCED C=C(C)Cn1c(SCC(=O)OCC(=O)N2CCNC(=O)C2)nnc1-c1ccco1 767498867 FWIURSANRGMHGL-UHFFFAOYSA-N 419.463 0.708 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CCC)c2=O)cn1 772278406 SGNNYJCSBDNVTO-UHFFFAOYSA-N 401.492 0.273 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 773438965 AVFAGAVEJIKWAA-OAHLLOKOSA-N 419.445 0.812 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)n(C)c1 774227303 SIFQZZCMBGLXGJ-UHFFFAOYSA-N 412.468 0.945 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1 782130980 JDIDMPMHSNILPV-ZDUSSCGKSA-N 423.429 0.890 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 783616641 NREAGWCGTBCUMZ-UHFFFAOYSA-N 403.482 0.347 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1=O 783844195 HSZFJNJVHGTEMR-OLZOCXBDSA-N 408.455 0.915 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 784953561 GEIWUMZWFGEUNU-MRXNPFEDSA-N 405.407 0.615 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)C1 792786032 XQARWTHETNCADA-CYBMUJFWSA-N 419.500 0.758 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794580185 VKADFDFOTZFCNT-OAHLLOKOSA-N 400.504 0.798 30 20 HCED Cn1c(CC#N)nn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S 794616150 GPGSWLIFMWFHLW-UHFFFAOYSA-N 417.520 0.853 30 20 HCED C[C@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2F)C[C@@H](C)O1 800013183 RSQPXNDIGIWDBQ-IJEWVQPXSA-N 412.487 0.998 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)CN1CCCC1 808223018 JFVVLEYTDPMNKX-MRXNPFEDSA-N 422.551 0.858 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 810781136 GXKBJZOLARHGGR-AWEZNQCLSA-N 411.505 0.609 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)CN1CCN(CC)C(=O)C1=O 919148603 YQJYTGADGPDUDD-CQSZACIVSA-N 407.492 0.885 30 20 HCED CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccc4c(c3)OCCO4)c2=O)CC1 920398138 CEBXTQZVYKPYRX-UHFFFAOYSA-N 408.483 0.974 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 996984369 XRVVZCIPFYXCCR-WOOFSFRISA-N 402.451 0.329 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 1116235688 DRWYMWMYEUQQBP-UHFFFAOYSA-N 413.481 0.127 30 20 HCED CN(C)C(=O)COc1cccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1318719065 QPSSBGIEOKBMJS-HNENSFHCSA-N 415.450 0.479 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1329339635 RXWVRNBTEYBBAP-AWEZNQCLSA-N 401.448 0.791 30 20 HCED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)Cc1nc(CC(=O)NC)no1 1340957728 CTOCOUBDWLYDLT-UHFFFAOYSA-N 420.426 0.916 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)CCO1 1505322363 MDWXALGJYOCSAQ-HUUCEWRRSA-N 404.471 0.531 30 20 HCED CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1517040611 YNNRUECVFTWRGS-HRCADAONSA-N 408.528 0.249 30 20 HCED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1556602222 RWMZVPODVHZPCC-CYBMUJFWSA-N 414.509 0.442 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC2CC2)cc1 1620351391 YDOOYOZWEPJPOM-UHFFFAOYSA-N 414.491 0.578 30 20 HCED CC[C@@H](C#N)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629998665 ODGAOIDKTBLYFY-ZDUSSCGKSA-N 400.501 0.629 30 20 HCED N#Cc1cn(CC(=O)N[C@H](CO)c2ccc(Br)c(F)c2)c(=O)nc1O 1637773016 UUCFHYBIGSIQTA-GFCCVEGCSA-N 411.187 0.572 30 20 HCED CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645093067 XQMXNRDCEAATKX-QRTARXTBSA-N 423.491 0.842 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1Br 1664972874 PVCFIYJXFBYMSO-UHFFFAOYSA-N 419.276 0.688 30 20 HCED COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1679534613 QPFVSTFNHXIVRV-LRDDRELGSA-N 401.423 0.905 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1694740899 OSQGPVVNAVPWIH-ZBFHGGJFSA-N 407.544 0.299 30 20 HCED CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1706517512 LEDKAVOFFUGCMN-QZTJIDSGSA-N 414.514 0.764 30 20 HCED CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728635855 JSEYEWCEDQFDFO-OTWHNJEPSA-N 417.558 0.784 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CCO1 1750388048 IRGGYHQULWDKQM-NVXWUHKLSA-N 417.491 0.857 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)CCO1 1767713316 QVPJJFXQZMYGMK-KRWDZBQOSA-N 406.450 0.734 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H](O)C1)C2 1779444491 GZFIHSGDTRYOIM-QCEFNBHBSA-N 403.479 0.983 30 20 HCED Cc1n[nH]cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1780283228 FFBQBVQTKVTGFH-NRFANRHFSA-N 400.479 0.860 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)C[C@@H](N)c4cccnc4)CCO3)C2)c1 1780333068 RHXYFORZXJVSPT-UTKZUKDTSA-N 408.462 0.815 30 20 HCED COCCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780335236 VMMAZWQMLJJEML-HXUWFJFHSA-N 412.450 0.487 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781430200 HULUCVUILBJVAQ-OAQYLSRUSA-N 416.526 0.681 30 20 HCED C[C@H](Cc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017205 BTIKVJSHZWCVHI-RADWXHQJSA-N 413.474 0.862 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(c3cc(OC)ncn3)CC1)CCO2 1783046737 USSZTXRBGOKIBI-OAQYLSRUSA-N 413.478 0.165 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1O)CCO2 1783050232 NCPJYVXTETXKKG-ZOCZFRKYSA-N 421.494 0.067 30 20 HCED COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1783215988 UVTHPUHEZWEXBO-IOVUBPJKSA-N 406.483 0.241 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1784503498 BECRSXPFOFGCBP-ZBRFXRBCSA-N 417.510 0.848 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4CCN(CC)CC4)cc3)C2)C1 1785236875 JUAAASPISSGMQU-HSZRJFAPSA-N 410.518 0.905 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cscn3)[C@H]2C1 1787035763 DSEIMOQXNLTOOE-MLCVQOOXSA-N 418.519 0.524 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(O)CC3)C[C@@H]21 1788603484 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Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cn1C 483521091 AVKGUSBLNKFRJK-KBXCAEBGSA-N 410.544 0.478 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488588989 BQFYDZQTTYFAEL-RHSMWYFYSA-N 424.461 0.818 30 20 HCED CN(CC(C)(C)C#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 497333605 JHZIQTLAAKGTQV-JSGCOSHPSA-N 410.452 0.727 30 20 HCED CNC(=O)[C@H]1CCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498536888 YZEBVUWMQGSRNK-DLBZAZTESA-N 419.507 0.489 30 20 HCED N#CCC1(O)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 506394983 JHFFRBQJAQACAB-UHFFFAOYSA-N 402.270 0.604 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 509725052 BSQIRHXOIYHQGT-MNOVXSKESA-N 419.912 0.429 30 20 HCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C3CC3)c2=O)cs1 516373264 MVAJNAVAMAMQBJ-UHFFFAOYSA-N 418.544 0.919 30 20 HCED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 520246260 YCAYTVBFXNHRLR-MRXNPFEDSA-N 424.548 0.947 30 20 HCED Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 533560056 FNCJBRGRMJNZOK-UHFFFAOYSA-N 424.505 0.636 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1cccs1 535334792 GKUCLFBGIWPYEH-LBPRGKRZSA-N 406.489 0.833 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OC 537386309 KNFOXUVAWAKOLY-NSHDSACASA-N 421.269 0.571 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)cc1 549088096 VASDIFQUBCIQLN-UHFFFAOYSA-N 421.500 0.899 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1 552736131 LCODQNDJVLMRNF-GLJUWKHASA-N 414.487 0.999 30 20 HCED C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C(N)=O)C1 556984504 MRAQLDZUZJNVPX-MRXNPFEDSA-N 412.498 0.719 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CN1C1CC1 558057725 UGVWCKFCHRXLGM-ALKREAHSSA-N 409.490 0.911 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 558282125 YBLNVKKJHGPIMK-CQSZACIVSA-N 423.395 0.486 30 20 HCED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)n[nH]1 564304670 MTSLPJXXUWMCMF-UHFFFAOYSA-N 422.493 0.419 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(F)(F)F 564476061 LGHLCMKKRCWLBC-LLVKDONJSA-N 410.349 0.574 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)n1 566944821 FFGGDNRZSRCUCM-UHFFFAOYSA-N 409.450 0.401 30 20 HCED CN1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@H]21 569011978 MAKPOIMCDCYJOO-IAGOWNOFSA-N 412.425 0.753 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 569769009 HQASTHDNWUCONJ-AWEZNQCLSA-N 411.480 0.471 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCc2nnc3n2CCCC3)c1 569975779 XBQQVADTDURHIF-UHFFFAOYSA-N 402.480 0.513 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C1 571742222 CZORIVAQJZIFTN-KRWDZBQOSA-N 416.478 0.354 30 20 HCED C=CCNC(=O)NC(=O)CS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 574668809 GOEOKHWGYUJNNM-UHFFFAOYSA-N 415.493 0.257 30 20 HCED CN(C)CCN(C)CCCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 577246098 WYSMROALBNLBOX-UHFFFAOYSA-N 409.556 0.521 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 577661856 AQQIUBDVUKPNBA-CRAIPNDOSA-N 401.463 0.846 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 580461103 BAJKOCXQWNVNEH-AWEZNQCLSA-N 410.400 0.355 30 20 HCED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 588884607 NZVIJCMJZDGNLQ-GOEBONIOSA-N 404.442 0.656 30 20 HCED O=C(NCCC(=O)N1CCOCC1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 606004663 YUTOIKCPCUHNDI-UHFFFAOYSA-N 406.442 0.785 30 20 HCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 608911323 AZDBFTWBZVFUNJ-UHFFFAOYSA-N 424.526 0.574 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 609516825 RJJLRUDTLJPHTB-OALUTQOASA-N 405.543 0.392 30 20 HCED Cc1nc(=NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)n(-c2ccc(C#N)cc2)[nH]1 610112510 NYMJMYFEEWJDFS-USJZOSNVSA-N 402.414 0.615 30 20 HCED CN1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 619444519 ASMQGOWFROTXRD-MRXNPFEDSA-N 404.492 0.696 30 20 HCED C=CCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 672662527 UUJRWOADZCKIQH-INIZCTEOSA-N 402.499 0.433 30 20 HCED COC(=O)[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 728689055 IEPHEZYLBGFSMV-VHAMKEJYSA-N 424.479 0.905 30 20 HCED C#CCN1CCC(C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 729975720 RFNADIVYTYSZKC-CQSZACIVSA-N 406.508 0.383 30 20 HCED CCNC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732416716 PAQJNRWQOPGSBO-ISLYRVAYSA-N 401.423 0.849 30 20 HCED C#CCN1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 733161266 LRLPOBZYHJSAQM-UHFFFAOYSA-N 407.492 0.107 30 20 HCED CNC(=O)NC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733829958 CHJNHYBWHDTGCE-GWCFXTLKSA-N 401.379 0.151 30 20 HCED C#CCOc1ccccc1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 734217641 LQFDUDLBPBAWGY-UHFFFAOYSA-N 412.446 0.201 30 20 HCED CC(C)[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 742508524 QPUUTKUSBRIPQY-WBVHZDCISA-N 422.551 0.977 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742672040 HEKMNHWEYZHWDM-STQMWFEESA-N 415.537 0.785 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 742797785 GMMDYSBMGHUAHU-MRXNPFEDSA-N 415.475 0.175 30 20 HCED CCOC(=O)c1csc([C@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 744072372 RWQGRNSBIBIGCA-ZPTNNJSTSA-N 403.416 0.658 30 20 HCED Cn1c(=O)c2nc(Br)n(CC(=O)c3cccc(C#N)c3)c2n(C)c1=O 747770155 ULCQKALORJGKMU-UHFFFAOYSA-N 402.208 0.951 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CO)CC2)c1 747772637 ISKRMLQBCZAXMF-RCCKNPSSSA-N 408.480 0.327 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3ccccn3)c2)c(=O)n1CCOC 747807209 KUYKUQWAGCUKJI-UHFFFAOYSA-N 420.494 0.867 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)C1=O 748568083 QWIGDLBPWPNANH-GFCCVEGCSA-N 400.391 0.797 30 20 HCED CCN(CC)S(=O)(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 751468133 DAMCSGSDXIXAPM-OAHLLOKOSA-N 411.553 0.929 30 20 HCED COC(=O)c1cccc(COC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1C#N 756215368 LMSKUJRSEZIZHW-UHFFFAOYSA-N 422.397 0.956 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(F)c2F)c1=O 758060804 OOJXCJYOKOTSBC-UHFFFAOYSA-N 403.410 0.087 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 761024809 PTOMEDUTTCYADA-CCLIWJKGSA-N 408.568 0.545 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(OCCCC)c2)CC1 761029992 BWPKXUCZMOIWRK-UHFFFAOYSA-N 422.551 0.567 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] 761267214 PCSDGBRGBLQBSL-LLVKDONJSA-N 423.451 0.525 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2 761274355 DOONKCPSTXTJHJ-UHFFFAOYSA-N 405.524 0.822 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncnc1N 761979677 DYBLZEGKPMUTGP-CQSZACIVSA-N 402.480 0.828 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCC1 771080915 SMRSLBDAMBWUBJ-UHFFFAOYSA-N 417.465 0.054 30 20 HCED COC[C@@](C)(C#N)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 771579716 SVUIXTCRDPPKOE-SCLBCKFNSA-N 407.448 0.669 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 772805350 SPEFRMXXGQCAQM-NVXWUHKLSA-N 410.492 0.084 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 773342447 WIHYSVBHKKZSNM-UHFFFAOYSA-N 411.414 0.826 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 778810543 BMPTYJGCQIIEPL-RTYCURFASA-N 423.425 0.759 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 783459705 VJPAIYOQAXAMDZ-UHFFFAOYSA-N 421.457 0.861 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2)[C@@H]1CCS(=O)(=O)C1 783476513 VNUBNGKLLXNYMY-LLVKDONJSA-N 412.851 0.699 30 20 HCED CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787786711 CBNIFKPTFCZVEV-GDBMZVCRSA-N 416.482 0.855 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1 789329761 RMDUNKBDUHWICC-UHFFFAOYSA-N 400.483 0.320 30 20 HCED COc1cc(OC)cc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)c1 793204650 JSOYYSYYPOHWOM-GFCCVEGCSA-N 407.448 0.806 30 20 HCED N#CCNC(=O)CNS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 796216744 JDQQLPDYDLGNTG-MRXNPFEDSA-N 408.480 0.594 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 799286019 CDLUDKVZAGNWKX-IBGZPJMESA-N 414.506 0.222 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 800009758 YVGNJIIKJHNDKD-OAHLLOKOSA-N 403.549 0.855 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 804081089 FVBZXWXEKUOKSB-MOPGFXCFSA-N 412.490 0.139 30 20 HCED Cc1cc(N2CCC(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)CC2)nc(C)n1 808411075 RECSWOHUAKOLQZ-UHFFFAOYSA-N 422.493 0.673 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 814540955 IMHHSVLKLNMVSH-QGZVFWFLSA-N 408.476 0.840 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(C)CC1 843754510 LUBRIEIKJJGQFE-KRWDZBQOSA-N 421.567 0.503 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)CC1 915269107 LAGQBYDAPPSNCX-SREVYHEPSA-N 403.508 0.208 30 20 HCED CNC(=O)CN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1152392428 RSSLTJZHEFHQBW-OAHLLOKOSA-N 414.487 1.000 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CS(C)(=O)=O 1158733668 LCRJIYNHCDJKAZ-UKRRQHHQSA-N 413.521 0.651 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)C1CC1 1303834563 PVJJAFDBEQPDDL-ZDUSSCGKSA-N 423.543 0.545 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCc1ccc(OCC#N)cc1 1327633773 FCXJUBIBYRTOCG-OAHLLOKOSA-N 408.480 0.424 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1505315845 TUYDGTCPQCGWIN-IIYDPXPESA-N 410.475 0.496 30 20 HCED Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1511179737 TYJAYGZJSQIKDJ-GDBMZVCRSA-N 404.496 0.974 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC(c3ccc(C#N)cc3)CC2)n(C)c1=O 1538538266 PWUSGWLAXRQTAV-UHFFFAOYSA-N 406.446 0.712 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 1567483630 WKLMOESJIVHIOK-UHFFFAOYSA-N 413.463 0.287 30 20 HCED Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1584631497 UQLXWYYCNNXEPK-UHFFFAOYSA-N 413.459 0.957 30 20 HCED CN(C)C(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1617602102 YHAUFRHUEIWOHY-WMLDXEAASA-N 412.450 0.998 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 1622214528 QCNUIBFTRSPCQY-UHFFFAOYSA-N 416.525 0.764 30 20 HCED CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1630427211 KXZDDKDLVFMVSD-ORAYPTAESA-N 403.439 0.726 30 20 HCED N#Cc1ccc(N2CCC(NS(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)nc1 1661312774 JAHKWTJIICNHAZ-HNNXBMFYSA-N 412.537 0.666 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1CCCC1 1682374814 HSVDYEYYQGAZBO-IAGOWNOFSA-N 412.560 0.323 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CC(OCC)C1 1696337189 OFEWNNGARANLGU-ZRZPHAQCSA-N 404.515 0.921 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1705754913 IHFUDABVBLESDF-CYBMUJFWSA-N 401.920 0.991 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cnn(C)c1 1751207837 RIGJGOJHPZQMCZ-CYBMUJFWSA-N 406.516 0.800 30 20 HCED CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1763304425 QPBIEGMCGGTBKF-MRXNPFEDSA-N 420.481 0.884 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1766871393 YGBKORRGRPZSTO-SFHVURJKSA-N 420.470 0.879 30 20 HCED N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCOCC2)c1 1771530467 LVYLQALEJHOLQF-GOSISDBHSA-N 409.494 0.851 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1778853394 LEKHXKDMBAPXEO-GZLONADSSA-N 416.522 0.015 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1778973148 ZPFIUAGNRGQBGW-UTKZUKDTSA-N 403.479 0.402 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=C/C(=O)NCc4ccco4)C3)C2)CC1 1779207992 QBWVNBVWPYZWSH-SHTLVRLNSA-N 412.446 0.586 30 20 HCED 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C[C@@H](CN)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834661708 SSEQGLMMMNKUIO-UBBNLVHISA-N 423.558 0.682 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)o1 1835344862 ZXVKEPWADZHCTI-FQEVSTJZSA-N 416.434 0.612 30 20 HCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1835743709 VZIRVAMLOWONOB-ZDUSSCGKSA-N 415.629 0.360 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ncon3)CC2)CC1 1836046090 SKVFPDRSYUIWNK-MRXNPFEDSA-N 405.499 0.828 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836205628 AZFYNXCMPZDJSC-HXUWFJFHSA-N 403.483 0.503 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1[nH]nnc1C)CCO2 1836298004 PWJXBAWEYJBVDL-LJQANCHMSA-N 407.471 0.166 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc5ccccn5n4)CCO3)C2)CC1 1836392854 GBRGUNXNQDKGST-HXUWFJFHSA-N 410.434 0.103 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836823749 LTNBLZSKPWPCRP-SFHVURJKSA-N 404.511 0.845 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837563090 JLYXAXVLNQMFBL-WNBNNUDTSA-N 413.434 0.259 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ccn3)CCO2)C1 1837861291 GFUVZKAUGCWHGP-YWZLYKJASA-N 421.881 0.843 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839223357 SVPCPIOZBVXUQU-LIRRHRJNSA-N 421.454 0.053 30 20 HCED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)COC1 1839361157 ULFLAYJNNSTGSS-QFIPXVFZSA-N 413.474 0.859 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839559230 VVLPJEJCJWFQRR-NRFANRHFSA-N 411.462 0.954 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839839764 MDPPOSULBMBACL-JLTOFOAXSA-N 418.450 0.457 30 20 HCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840145409 GGJTUVYWFGOJLQ-YRNRMSPPSA-N 407.467 0.336 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840172117 SIBSDQAWVZLZFC-OAQYLSRUSA-N 411.462 0.913 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1840346322 RAYMSNYDWVGHFP-HXUWFJFHSA-N 403.483 0.650 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3ccnc3)CCO2)C1 1840428672 RXIVZBWHNIKPNJ-OPYAIIAOSA-N 418.494 0.014 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)C1 1840456018 ZTWDJRGSNWJOLX-NRFANRHFSA-N 400.479 0.832 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841539964 CWDOEDDFBHEIAD-INIZCTEOSA-N 405.495 0.879 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1842921761 QRRTZMLBHRMDLG-UHFFFAOYSA-N 423.564 0.332 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845995676 LRBPHHQAMAHAIH-CQSZACIVSA-N 406.483 0.372 30 20 HCED COc1cc(OC)c(F)c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1F 1846195108 CBPRUKFGXYKFEN-UHFFFAOYSA-N 408.357 0.887 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847262288 MIBLPRKASQOENI-MKDOAQHLSA-N 404.467 0.576 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O 1847809294 RONUMMUJCGMMCX-RZLSGREXSA-N 408.524 0.973 30 20 HCED CC(C)N1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 27421384 KGNJTYJBBXBBRV-UHFFFAOYSA-N 419.551 0.417 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)CCO1 410158477 HFAQJYPYWZLQEX-LBPRGKRZSA-N 416.862 0.706 30 20 HCED Cn1nc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC(F)F 426718493 WPUUTXJTNSFZIH-UHFFFAOYSA-N 405.365 0.575 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)n1 431582094 HPUBVYGOVNYQJF-UHFFFAOYSA-N 402.436 0.146 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CC[C@@H](CO)O2)CC1 432439197 GHANBXIHZJJDSQ-CVEARBPZSA-N 408.480 0.114 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1=O 441003115 MECPCPIRGURAPV-AWEZNQCLSA-N 409.450 0.793 30 20 HCED C[C@@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442039578 BXIQBIZNNBQEMV-RNUGCUGFSA-N 407.883 1.561 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 442228986 KWPCZKMCFRCNMG-INIZCTEOSA-N 400.479 0.722 30 20 HCED CN(CC(=O)N1CCCC[C@H](S(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 444313311 MCKUDVJTKVSCOP-INIZCTEOSA-N 413.521 0.604 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 464821842 JHQQRDDRCBPYBC-LLVKDONJSA-N 421.508 0.477 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(S(N)(=O)=O)s1 464821843 JHQQRDDRCBPYBC-NSHDSACASA-N 421.508 0.477 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCCN(c4ccccc4C#N)CC3)c2n(C)c1=O 465023916 BTKQVXYZRYJUOE-UHFFFAOYSA-N 420.473 0.649 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN[C@@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 471001877 UDUFBNNYRNBYIX-DNVCBOLYSA-N 403.531 0.805 30 20 HCED N#CCCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC1CC1 471185714 DGWXVWRHVJZBIP-UHFFFAOYSA-N 420.535 0.949 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)Nc1cccnc1 481264819 KWJXTXYCQXTPNV-CYBMUJFWSA-N 401.448 0.765 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)c(C)c1OC 488255996 OQMASSODNXOMQF-AWEZNQCLSA-N 414.483 0.881 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1=O 488796205 GJIFCSOIDCUTRD-UHFFFAOYSA-N 400.439 0.155 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)CC1 491079612 REXDJIMCKOKLQH-UHFFFAOYSA-N 424.404 0.136 30 20 HCED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 495165939 GIAQHACZWJAPMY-UHFFFAOYSA-N 406.508 0.997 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1=O 500028255 XSNHRJBAERQPIJ-AWEZNQCLSA-N 400.888 0.645 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2Cl)C1=O 500471289 KHYIQFHPUBKIMF-UHFFFAOYSA-N 409.826 0.993 30 20 HCED Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1C 505643505 DOIZCLWAELCAAN-CYBMUJFWSA-N 414.491 0.963 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@@H](C(=O)OC)C1 508464709 NRIFUWSDJHMPCG-OAHLLOKOSA-N 406.464 0.913 30 20 HCED N#Cc1ncn(CCNC(=O)NC[C@H](O)COc2ccccc2Br)n1 510609008 WZFKRCGHUNQMMP-NSHDSACASA-N 409.244 0.651 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CCN1Cc1ccccc1 513066196 XCFJPZCQFCNRLG-GOSISDBHSA-N 421.457 0.726 30 20 HCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2C1=O 516409393 IDBOSTQPFROIDY-UHFFFAOYSA-N 418.413 0.466 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 519559709 PCRXKFSEOALXOK-IKGGRYGDSA-N 411.462 0.201 30 20 HCED Cc1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1S(=O)(=O)NCC#N 524680113 KSCDYQBJQNEQEY-HNNXBMFYSA-N 405.480 0.427 30 20 HCED CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 527354380 NHLXYFIMOKMFII-UHFFFAOYSA-N 421.523 0.712 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)c1C#N 530416461 UYGDCZOJFXKWDZ-UHFFFAOYSA-N 408.509 0.289 30 20 HCED N#CC(C(=O)C1CCCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 532620396 AYDIIQLLOWIJKD-UHFFFAOYSA-N 410.455 0.512 30 20 HCED CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 539352974 SLMPTQQOLHUELC-HNNXBMFYSA-N 408.470 0.543 30 20 HCED CC(=O)NC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 539453163 MVQHDNZRZQLAQV-SJORKVTESA-N 405.524 0.294 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 540961962 LUHFMXXZQKTTLO-HZPDHXFCSA-N 405.480 0.387 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cn1 546600018 AYTWEKWDIOHHNR-UHFFFAOYSA-N 402.414 0.724 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 546710342 ZDOWTRAVEDLHNC-UHFFFAOYSA-N 422.488 0.970 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 547416587 MGRWCWVSFYJCGX-UHFFFAOYSA-N 424.461 0.907 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1=O 554149721 BFHDTDVDOONVBL-ZBFHGGJFSA-N 415.469 0.862 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1 559561473 MHHGPGOLHATBLP-UHFFFAOYSA-N 414.554 0.606 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NC2CCN(C3CCN(C)CC3)CC2)CC1 560873333 GVJIQWBYIRECFW-UHFFFAOYSA-N 405.587 0.818 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNC(=O)C(C)(C)C 560933160 POARTYXTXADJJN-UHFFFAOYSA-N 401.511 0.727 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)C2=O)cc1 575355170 QYDSBWAUHGKKOU-QYZOEREBSA-N 410.474 0.660 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)n1 579178600 HPULBOUUWQQNRO-LLVKDONJSA-N 407.356 0.830 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 581328950 FCMIGDFCFDHGCL-NSHDSACASA-N 415.269 0.409 30 20 HCED COc1ccc(Cn2nccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)c(OC)c1 582625154 GHEGHYQUAQNUQJ-UHFFFAOYSA-N 424.421 0.167 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)n1 582935784 WQOCURSALVDGEH-INIZCTEOSA-N 423.477 0.791 30 20 HCED COCCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 588866532 ZCFIALCGUJQHHL-MSOLQXFVSA-N 414.462 0.434 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)CC2)nc1 609001261 VFQJNAFDWQEHNG-SFHVURJKSA-N 412.494 0.955 30 20 HCED C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCN1CCS(=O)(=O)CC1 673735477 CKHBOZANVCENID-UHFFFAOYSA-N 404.492 0.897 30 20 HCED COC(=O)c1coc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 729113759 GXUOTMWRMWSKJP-UHFFFAOYSA-N 406.372 0.642 30 20 HCED CCn1c(S)nnc1CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 731441968 AQDKGLRQQLWGHI-UHFFFAOYSA-N 408.509 0.670 30 20 HCED COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1-n1nnnc1C 732430470 IHVKWVMKBIBLKO-MSUUIHNZSA-N 412.410 0.627 30 20 HCED CSc1nc(C)c(CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)n1 732908279 INUATVNPCJWDAK-CQSZACIVSA-N 410.521 0.714 30 20 HCED N#C[C@@H](C(=O)CCCNC(=O)NC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1 732910350 NRFSSIBEJDUBGY-HNNXBMFYSA-N 412.512 0.364 30 20 HCED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737278406 ZKGLERAYDJLZFO-GHTHLWOPSA-N 424.479 0.363 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(CC(F)(F)F)CC1 742448499 GUTOSUDNTNDCKO-UHFFFAOYSA-N 404.414 0.868 30 20 HCED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 743928679 PWBQZAUNGSSXQS-UHFFFAOYSA-N 407.370 0.693 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 745015065 ZWDQPTBISGGHRR-IUODEOHRSA-N 411.436 0.982 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 747993873 SHQMKUQQOPSPNL-UHFFFAOYSA-N 403.435 0.639 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)OCC(=O)NCCC#N)(c2ccccc2)CC1 750488596 BEGQTSVZFGFOEL-UHFFFAOYSA-N 407.492 0.943 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCSC 751828614 VQIWIFZLESNEPF-UHFFFAOYSA-N 419.576 0.909 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1CCC 755620033 STLUQXIRGAMXBE-UHFFFAOYSA-N 413.547 0.983 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n1 756751844 XLBLYUDUYJWHQL-ZYHUDNBSSA-N 411.465 0.272 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 757301562 XDIYBWIMKHZTMZ-JSGCOSHPSA-N 411.455 0.610 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 757588603 NULDDNHGEFXIGO-QWHCGFSZSA-N 407.471 0.972 30 20 HCED 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C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCN1C)CCO2 1830765028 IHCOASHGPSVOBM-FXAWDEMLSA-N 411.568 0.846 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831213781 XQYGURHMVNBDFG-JOCHJYFZSA-N 408.458 0.818 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1831425958 XXDJIDBYHHUUEO-UTKZUKDTSA-N 405.495 0.995 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1831483033 JHECHMFDMYEUBI-TXPKVOOTSA-N 412.508 0.724 30 20 HCED CC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)N(CC)CC 1831662374 VARZFZUINLTJCM-KNQAVFIVSA-N 405.539 0.977 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCSCC2)CC1 1831665886 QRKRLFMXABZGHW-KRWDZBQOSA-N 407.536 0.743 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1832458759 ZLMAZLHIMANOHK-XLIONFOSSA-N 411.568 0.704 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1832462824 WNXHMAUVWXOZGD-CRAIPNDOSA-N 409.512 0.215 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCCOC)CC2)CC1 1833240358 XMBZWXDWHQJVFC-SREVYHEPSA-N 420.554 0.843 30 20 HCED CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427965 JRTOFJONHKWBHC-UHFFFAOYSA-N 419.595 0.455 30 20 HCED CNC(=O)CC(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1833439674 RAJXSQWHSIATBH-UHFFFAOYSA-N 411.506 0.880 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833864120 DGOAYHFJJHTSJJ-HXUWFJFHSA-N 404.467 0.302 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834031898 IRTOGKNCMONMGA-HNAYVOBHSA-N 405.455 0.348 30 20 HCED Cn1ncc2c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cccc21 1835356562 DCGHXVBEXGATMD-NRFANRHFSA-N 411.462 0.947 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364592 ZVZIWECGFNZIBC-OXJNMPFZSA-N 402.451 0.609 30 20 HCED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835887388 YYGLBWYEZPXVGZ-FQEVSTJZSA-N 403.483 0.344 30 20 HCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)C 1837214346 VVTKKJRUIBWASN-PZJWPPBQSA-N 406.479 0.444 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C)C2)C1 1837397350 VCDKONISMJRJMX-KUHUBIRLSA-N 424.523 0.490 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1837447769 SFSHTHVYJQFMES-LYBQEQRRSA-N 422.526 0.341 30 20 HCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837476643 ZHPDORKYLBJDCO-YWZLYKJASA-N 416.482 0.283 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560485 XXTGHDHDQSNOEB-JAQBMENVSA-N 407.467 0.172 30 20 HCED CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1837812719 OOJIQCBJPYERJK-CJLVFECKSA-N 421.542 0.545 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837840125 GECWSKZEKZHZDI-FOIQADDNSA-N 405.426 0.329 30 20 HCED CC[S@@](=O)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838363175 YNCLJYHQBANTNK-MUUNZHRXSA-N 412.508 0.232 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838662939 OYOUPKSNWXZLFB-BEFAXECRSA-N 407.471 0.589 30 20 HCED CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838736141 MICHHYKSLOEUAY-HXUWFJFHSA-N 403.483 0.344 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3OC)CCO2)C1 1838874501 KZZCFTAJNXZKJO-VGSWGCGISA-N 416.474 0.804 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905654 RCOLLFULAWYPFK-HTAPYJJXSA-N 411.458 0.667 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1839173723 ILMBWSCWOVLCSX-HXUWFJFHSA-N 418.450 0.056 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1839838349 FZNDZILUDPMRBB-HNAYVOBHSA-N 414.524 0.561 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@H](C)CC)C2)C1)C(F)(F)F 1839892387 LAXQUAMBIMTUAC-SUYBPPKGSA-N 407.433 0.935 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840160906 XNYUKFWIYWJHKF-AUUYWEPGSA-N 404.492 0.723 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840200938 XMKXWVDYGPKZNL-FRQCXROJSA-N 400.541 0.769 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCC(O)CC2)CCO3)c1 1840274240 ASVQAHJWLVHGCE-BPZDKFOGSA-N 416.478 0.507 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(C)=O)C(C)(C)C)C1 1841496241 SMKSJEIMPKXZRO-CNZFZVQHSA-N 404.511 0.599 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)c1Cl 1841961015 IKKOQPXZLNFTRA-CYBMUJFWSA-N 415.837 0.627 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1844155924 AYKVQZHTOMUNRK-KRWDZBQOSA-N 419.865 0.959 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C2(C#N)CC2)C3)[C@@H](O)C1 1845105030 AEAJGJHUTVQJJM-GJZGRUSLSA-N 418.494 0.721 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)Cn3ccncc3=O)C2)cc1 1845765830 AVNBZWMLTXYOGY-UHFFFAOYSA-N 405.458 0.951 30 20 HCED COCCOCCOCCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1846249024 TVSQXPNNTHGODD-UHFFFAOYSA-N 404.467 0.773 30 20 HCED 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CC(C)N(CCCNC(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O 428781590 ORJFHAZQNNSSMX-QGZVFWFLSA-N 423.539 0.583 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 429134953 LQZISHSZCCACGI-UHFFFAOYSA-N 422.555 0.608 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 430404125 PVMHDGIAVAFQMD-ICSRJNTNSA-N 420.554 0.487 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c(=O)n2C 436359430 LYTHDLYPHVTSJG-JKSUJKDBSA-N 406.446 0.732 30 20 HCED CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 441850264 NHJWCQWGMHNVRR-INIZCTEOSA-N 401.467 0.527 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 442905014 TUCUVZGNJRBXAY-UHFFFAOYSA-N 422.488 0.657 30 20 HCED Cn1ccnc1-c1csc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n1 446527991 SMURVONKXREOBH-UHFFFAOYSA-N 417.495 0.557 30 20 HCED CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472869142 BRRCRXTXXKOQEW-UHFFFAOYSA-N 409.450 0.846 30 20 HCED CC#CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 477388619 AEDXGRADNFQOGC-UHFFFAOYSA-N 407.492 0.448 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 478321237 VGWDVBGYWUMBLG-INIZCTEOSA-N 406.508 0.909 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc(OCC)n2)c1=O 489018429 UDBNRALEUFZIGB-CQSZACIVSA-N 411.483 0.998 30 20 HCED N#Cc1ccc(Br)c(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 492532541 HMXMXPFSXBRYBL-HZPDHXFCSA-N 414.325 0.596 30 20 HCED N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 495400672 DOIFOVJKNURJBG-HOTGVXAUSA-N 401.471 0.216 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 498421050 DWLHFVKIYJGLQM-INIZCTEOSA-N 421.567 0.800 30 20 HCED N#CCCN(Cc1ccccn1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 505169242 KCGJAMAGQJDNIT-UHFFFAOYSA-N 415.431 0.579 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 505408985 MSTSBGWNIIJIKW-KRWDZBQOSA-N 402.426 0.804 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 505666295 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C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(NS(C)(=O)=O)c2)CC1 539169993 PJWITCVELNYIEC-UHFFFAOYSA-N 410.496 0.772 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)n1 540269306 KORAUKFXPLWDAO-HXUWFJFHSA-N 423.433 0.645 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 546709854 UQGSEXAQTKPEQG-UHFFFAOYSA-N 406.464 0.578 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CCN1Cc1ccccc1 550069176 SSJVSQZRFYPLPB-SFHVURJKSA-N 421.505 0.857 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCSCc2ccccc2F)CC1 550097693 REZYEDXXHNKMJQ-UHFFFAOYSA-N 422.526 0.622 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3cn4ccccc4n3)CC2)n1 550686469 NYASEVLUCYENKC-UHFFFAOYSA-N 403.446 0.608 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1nc3cc(Cl)ccn3c1C#N)C2 553535486 IFWSFECJKNODJU-UHFFFAOYSA-N 400.830 0.326 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CCN1Cc1ccccc1 554266065 VSNUEUVAPFJUQI-MJGOQNOKSA-N 409.490 0.350 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H]1n1cccn1 568129750 MRISTLKHQSJUAJ-YQVWRLOYSA-N 417.491 0.910 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCCSC 590995532 GYCOIZYQHRNUMV-UHFFFAOYSA-N 407.517 0.522 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCCSC 590995750 XXZRWWLTRXZJTF-UHFFFAOYSA-N 417.556 0.929 30 20 HCED CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603940432 PLGCUXOBTIWUBR-QGZVFWFLSA-N 404.492 0.792 30 20 HCED CC(C)[C@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609413697 KXBIBWLFMQWWCM-SFHVURJKSA-N 418.519 0.942 30 20 HCED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCSC[C@H]1C#N 611407519 HYEHRTKVZIKOFI-QWHCGFSZSA-N 411.505 0.982 30 20 HCED N#C[C@@H](C(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732909624 DXAWWINESKYPHW-LBPRGKRZSA-N 412.851 0.620 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 734696535 SGYAGXFLJXOPPQ-UHFFFAOYSA-N 405.407 0.740 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 735820901 LVAFLZNTUMLAAF-MRXNPFEDSA-N 404.469 0.857 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)cc1 743935383 RZYFYIRVVTWMQK-MRXNPFEDSA-N 421.479 0.015 30 20 HCED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 749634633 CHWGEDYQZQGOSI-UHFFFAOYSA-N 416.463 0.337 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750366449 LKBQWDBIGWIBPT-HXUWFJFHSA-N 400.435 0.529 30 20 HCED C[C@H](CC(=O)N[C@@H](CC(N)=O)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 752709186 XHHNQKMNACSXEC-DOMZBBRYSA-N 422.507 0.291 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 756890027 APKHFSACQVBTRW-NPGPMHRQSA-N 418.450 0.024 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C1 758771241 ZVSBBIHRRREIPI-WFASDCNBSA-N 424.479 0.588 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NC[C@H]1CCCO1 767633417 ASQXPYGJYYBJAP-KCQAQPDRSA-N 409.464 0.452 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCC(=O)c2ccc3c(c2)OCCO3)CC1 767956528 YUSBXKITPJKLRC-UHFFFAOYSA-N 413.474 0.704 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(O)cc2)c1 769656641 ITEDIODJIUYXPL-KRWDZBQOSA-N 402.428 0.948 30 20 HCED CCCOc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCO2 771889576 KBRCZRNCVGEFLR-UHFFFAOYSA-N 422.463 0.338 30 20 HCED COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 774012660 JLSADHHSCFBBCH-HIFRSBDPSA-N 409.414 0.539 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O 778963974 KJIIWADIHRPUGF-CHWSQXEVSA-N 408.455 0.725 30 20 HCED CNS(=O)(=O)c1cc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)ccc1OC 782366435 POXLYUPLRUIRDP-UHFFFAOYSA-N 417.403 0.580 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 783480640 KVLKCFVUINKAOD-LBPRGKRZSA-N 419.381 0.610 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 783616973 ULAZKZOLNDUYBK-UHFFFAOYSA-N 423.520 0.877 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)C1CC1 784920839 OJTGRVJANCJOFQ-UHFFFAOYSA-N 418.519 0.576 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 785217084 MVTHGZAMNBQQEG-AWEZNQCLSA-N 405.426 0.872 30 20 HCED COC(=O)c1cccc(COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C#N 786361791 RJLVPZCPNVIFLF-LMSBXDPUSA-N 412.398 0.941 30 20 HCED C[C@@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCC1 787677783 LUEJAIKFNCEVFM-GFCCVEGCSA-N 403.395 0.888 30 20 HCED C#CCn1cc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cn1 787885456 BNXGQUZBCUYOMH-UHFFFAOYSA-N 418.479 0.973 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@@H]1CCCO1 793904887 YIXFYNQARKGQPT-MSOLQXFVSA-N 421.519 0.629 30 20 HCED COC(=O)[C@@H]1CCN2C(=O)N([C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C(=O)[C@H]2C1 794796633 VOFDWQZIWSRXMC-XJFOESAGSA-N 406.439 0.961 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)C1=O 799267657 RFPNMWSCQYKUFS-HNNXBMFYSA-N 424.479 0.052 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)CNS(=O)(=O)c2ccccc2N)C1=O 800236264 YVALIVCOHPPRIO-CYBMUJFWSA-N 420.472 0.829 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)C[C@H](C)C#N)ccc2F)CC1 801137421 CPNLIJVNXSPLMV-CYBMUJFWSA-N 410.471 0.910 30 20 HCED NC(=O)NC(=O)c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 802329672 KOXNSXNJIXOWIR-UHFFFAOYSA-N 401.404 0.172 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CC2)cn1 805092734 WBWDBGGIRUKGMS-UHFFFAOYSA-N 403.508 0.806 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)c(F)c1 805880689 JEACBMXDOKIYLY-LSDHHAIUSA-N 418.450 0.490 30 20 HCED CC1(C)OCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CO1 806654037 QIMDMVAWMRTFFJ-UHFFFAOYSA-N 400.479 0.860 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 815590581 ASYSTFVVUQAFOO-CYBMUJFWSA-N 424.276 0.908 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)CN(C)C 815684419 NMXLOMMQVIUUJY-PFKVCDDJSA-N 423.539 0.752 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 916889872 JFVUWHFXGOJGIY-HNNXBMFYSA-N 400.416 0.840 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2O1 918268798 IAYVWZGYYGGMTB-INIZCTEOSA-N 408.418 0.022 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1 918587586 HVKJXGKNSZADCK-UHFFFAOYSA-N 415.427 0.992 30 20 HCED CNS(=O)(=O)c1ccc(C)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 918993483 YZFNNQJJNMHCLL-UHFFFAOYSA-N 422.488 0.580 30 20 HCED Cc1cc(C#N)nc(N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)n1 1039642565 MVVFXXAHWBUWKH-AXSMETJDSA-N 406.450 0.536 30 20 HCED CN(C)S(=O)(=O)c1ccc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1166221542 SLPCACNEVPCIJQ-UHFFFAOYSA-N 416.503 0.851 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)n1 1190078494 XQVAZTGVTHBJKJ-INIZCTEOSA-N 418.479 0.728 30 20 HCED N#CCC1(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)CC1 1192032853 XWSNUPUTLSSGDK-UHFFFAOYSA-N 405.524 0.918 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)C[C@H]3C3CCC3)CC2)o1 1195224005 JSUGXPUSCOTBIJ-KRWDZBQOSA-N 421.523 0.402 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1288520702 VHMSYIFQORBVQE-RDBSUJKOSA-N 409.516 0.249 30 20 HCED CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1299204085 YJLQBTFTZWTNID-MRXNPFEDSA-N 419.507 0.298 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](OCCO)C3)C2=O)cc1 1320642271 SNESCSNRDLNHFD-IRXDYDNUSA-N 400.435 0.763 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)CCO1 1620355430 JOHUJWHMCLEXDA-HNNXBMFYSA-N 403.468 0.104 30 20 HCED Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)C2)cc1 1641029993 IHKONQYHGFBKGG-INIZCTEOSA-N 409.446 0.798 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 1656041288 KKWNKUBHXPZJIJ-ZWNOBZJWSA-N 402.375 0.952 30 20 HCED CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1694227430 NKCWNBAOHFVCSK-LSDHHAIUSA-N 403.487 0.434 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1696477109 SFFVMJKSSCCKTC-CQSZACIVSA-N 416.507 0.918 30 20 HCED 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C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cncc(S(C)(=O)=O)c2)C1 1842188470 IECRBNINGPMDMS-CQSZACIVSA-N 405.476 0.340 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1845438793 UCKWOKPAYKAXTD-CTJICSLTSA-N 420.466 0.745 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc1F 1846894459 GQQBUAHHQPFJOR-UHFFFAOYSA-N 408.407 0.134 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)c1 30938181 YBAUKSVAHAQNLY-UHFFFAOYSA-N 422.401 0.936 30 20 HCED CC(C)(O)CN1CCN(c2ccc(C#N)c(N3CCN(CC(C)(C)O)CC3)n2)CC1 302881067 ITYBIWLSZAOVAM-UHFFFAOYSA-N 416.570 0.739 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N(C)CCCO)CC3)CC2)o1 303746642 ZWDMGVDELAQVPV-UHFFFAOYSA-N 404.515 0.282 30 20 HCED CS(=O)(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 409836377 BKECFALJBQHHLP-PWSUYJOCSA-N 402.454 0.463 30 20 HCED C=CCN1CC[C@H](N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1=O 410307845 SEHDAAITVJGQCI-INIZCTEOSA-N 408.480 0.907 30 20 HCED C=C(C)CN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 430284132 KXPIKBFRIYDXDK-CQSZACIVSA-N 411.480 0.405 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 430410488 QUWPOQHVJIVSMP-LXKKFAQKSA-N 404.555 0.853 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435836962 SGDXRAMVQSJVSO-UHFFFAOYSA-N 413.478 0.730 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)OC 435935149 JCXZXBXLCYLPBZ-OAHLLOKOSA-N 412.464 0.182 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 438013611 PKRLUYOFRFQLLU-WMZOPIPTSA-N 402.499 0.796 30 20 HCED C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(=O)N1CCOCC1 443470659 WWRHWRPLPFLMNP-SNVBAGLBSA-N 402.270 0.846 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccccc2C#N)CC1 446133033 VBTIMOONDNHJMG-CQSZACIVSA-N 402.480 0.307 30 20 HCED CCCNC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446520990 GPNFKETWHKQHFS-UHFFFAOYSA-N 415.494 0.839 30 20 HCED C=C[C@@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 460325602 JIVFPOXAWRKACQ-ZDUSSCGKSA-N 413.496 0.703 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCS1(=O)=O 460722408 UHGJTIBMPXGBHY-UHFFFAOYSA-N 402.436 0.113 30 20 HCED C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C(C)(C)C)n1cnc(C#N)n1 467774496 YQCDIYKHHVZSNR-JHJVBQTASA-N 412.458 0.082 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cnn(C)c2C#N)CC1 474211295 LRSSBPLDBLCLOM-UHFFFAOYSA-N 418.435 0.655 30 20 HCED C[C@@](O)(CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)CN1CCOCC1 476266276 YIUVHFQWKUBVGZ-GHTZIAJQSA-N 400.479 0.249 30 20 HCED C=CCOc1ccccc1CNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 477572115 LSONDLKZSVNHGC-UHFFFAOYSA-N 414.462 0.754 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCOCC2)CC1 482492724 DDAAJCYARIZHGI-OAHLLOKOSA-N 406.508 0.548 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nc(N)ns2)CC1 482859366 NNLAMVZGJTWCID-LLVKDONJSA-N 421.508 0.008 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@]3(C#N)CC3(C)C)c2)CC1 484904710 DBHRQHMSPJPDTQ-IBGZPJMESA-N 404.492 0.961 30 20 HCED C[C@]1(C(N)=O)CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 485132178 KUNYESVNIACUDN-NRFANRHFSA-N 411.462 0.932 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC#Cc2ccccc2)cc1 490176745 RFVRHHBHPAHRJD-UHFFFAOYSA-N 415.471 0.718 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)CC[C@@H]4C3)CC2)cc1 498758343 LKERATOLKDMFBK-QGZVFWFLSA-N 416.503 0.792 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500843231 USVSHKTVLZQZIE-INIZCTEOSA-N 423.491 0.599 30 20 HCED N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 507395038 WAIOVIYCZWJFRS-UHFFFAOYSA-N 406.489 0.790 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 508995375 LCGQHWHCTLBLTQ-INIZCTEOSA-N 403.531 0.735 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccc(OC(F)F)cn2)CC1 511079363 XWVDUZLLRRXLPN-UHFFFAOYSA-N 416.388 0.915 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@@H](C)C#N)CC2)c1 512482232 CXERMQZZCDMAQI-HNNXBMFYSA-N 424.523 0.628 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 517062215 MCMJOSCCLWLXNG-UHFFFAOYSA-N 409.446 0.736 30 20 HCED COc1ccc(C(=O)NCCN2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 533384595 KCDWCRVPPSZODQ-QGZVFWFLSA-N 401.511 0.803 30 20 HCED N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 535544828 YXJKKYOEYXJLLT-UHFFFAOYSA-N 407.471 0.788 30 20 HCED CCCCN(CCCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540480948 RXMLKNOEPMEUPS-UHFFFAOYSA-N 422.551 0.876 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(C)(C)O)CC1 542293098 PNMTWHIJMPGETC-UHFFFAOYSA-N 404.467 0.437 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)C1=O 543129836 GQSNPOFDXAMSAP-UHFFFAOYSA-N 415.381 0.901 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H](O)COc2ccccc2)cn1 547306491 GHOJWRDIEISYFS-INIZCTEOSA-N 406.402 0.634 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc1 558549064 SRTAXOMCQMTYBL-UHFFFAOYSA-N 422.507 0.447 30 20 HCED CN(CC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 561443450 NFRAKJPIFFMVGG-CRAIPNDOSA-N 406.508 0.988 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H](OC(F)F)C3)C2=O)cc1 561706367 DPGMMMMHUMNIFI-GJZGRUSLSA-N 406.389 0.615 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3cnn(C(C)C)c3)CC2)c1C#N 562063932 HLDLZNSUQABMTN-AWEZNQCLSA-N 412.498 0.904 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1 564690252 RPLUGJUMIATYNI-SFHVURJKSA-N 412.471 0.754 30 20 HCED CCn1ncc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1C(F)(F)F 565283927 ZTVXKJCSMXRLKJ-UHFFFAOYSA-N 412.376 1.128 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](c3cccnc3)C3CC3)CC2)c1C#N 565622041 RSIJDGRSCPFJID-GOSISDBHSA-N 407.478 0.911 30 20 HCED CC(C)(C#N)CCS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 569037725 AMOYZWKEKBXPBU-MRXNPFEDSA-N 421.585 0.467 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 572036928 LLCZXMIZOKOPFX-HNNXBMFYSA-N 401.471 0.118 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)nc1 576414269 IUDXBAJYCVKBHY-UHFFFAOYSA-N 409.446 0.919 30 20 HCED CC(C)c1nc([C@@H]2COCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 579416503 KLCNUJPWZHDDIH-HNNXBMFYSA-N 419.463 0.943 30 20 HCED CC(CNS(=O)(=O)c1cccnc1C#N)CNS(=O)(=O)c1cccnc1C#N 581077353 JLPKVXWWLNTXLX-UHFFFAOYSA-N 420.476 0.113 30 20 HCED C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 582372522 CDLMHYGEEKEUFA-UHFFFAOYSA-N 413.526 0.841 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2N2CCOCC2)c1 582994129 LSYLVQMQMYGYSX-UHFFFAOYSA-N 414.487 0.990 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 585725589 XXQPKBMMHXXBHV-FHWLQOOXSA-N 409.490 0.518 30 20 HCED COc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 589416209 FFSLYSLBQQPWOU-HNNXBMFYSA-N 406.402 0.936 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608924415 CGCYOJZWFGHZHM-AWEZNQCLSA-N 407.478 0.751 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 610913158 DNDSFOUCYNHNJL-PBHICJAKSA-N 406.508 0.595 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 611564697 AQMUZLIPWAQGCV-RDJZCZTQSA-N 419.507 0.777 30 20 HCED N#CCc1cccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 619484351 PEUXCAWZQPKHMI-UHFFFAOYSA-N 424.460 0.918 30 20 HCED C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 673738473 GAHQYCPLTONWMY-UHFFFAOYSA-N 422.449 0.408 30 20 HCED COCCCN1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 726984241 NGKBIJBEBIWHNM-UHFFFAOYSA-N 408.524 0.732 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 737195390 GVOUZRXMIUPSSN-UHFFFAOYSA-N 400.460 0.475 30 20 HCED CC#CCOC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 744595287 XZHXASABLWACML-CQSZACIVSA-N 407.897 0.988 30 20 HCED N#Cc1ccc([C@H](OC(=O)c2ccc(S(=O)(=O)NCCO)s2)C(N)=O)cc1 745145335 KJDJEIUSBDNGOX-AWEZNQCLSA-N 409.445 0.274 30 20 HCED C#CCNCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 746514406 ZTRUJYYFMXINRI-UHFFFAOYSA-N 400.298 0.505 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)CC1 751403594 CVGLTZAWXDOGQL-UHFFFAOYSA-N 413.474 0.762 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC1 760214549 ACTUFIVXNDJGOO-UHFFFAOYSA-N 411.437 0.997 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1C#N 760309849 UDWJAIOLBVJXGK-UHFFFAOYSA-N 419.486 0.451 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 762242445 QOCKURYONQCAGH-IBGZPJMESA-N 413.478 0.585 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 764939605 MSGFNCJHBYBXOG-AWEZNQCLSA-N 410.455 0.961 30 20 HCED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H]1N1CCN(C)CC1 765351395 WQFVEGXIHOWBEK-NVXWUHKLSA-N 419.551 0.210 30 20 HCED CS(=O)(=O)NCC(=NNC(=S)NCCCN1CCOCC1)c1ccccc1 766687303 ALEFMIBRNHKAMC-UHFFFAOYSA-N 413.569 0.126 30 20 HCED COC(=O)CCc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 767633230 WUHDGURYCRKXHP-LLVKDONJSA-N 422.419 0.457 30 20 HCED CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767637644 OXCFQVFFNNOXSC-CHWSQXEVSA-N 424.479 0.639 30 20 HCED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCOC[C@@H]2C#N)C1=O 771379166 OEELIOZRBVXXES-GUYCJALGSA-N 421.251 0.967 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 771584692 FOAUCTOGDZOKLL-BTYIYWSLSA-N 413.478 0.814 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCN(CCc3ccccc3)CC2)c(=O)n(C)c1=O 771891346 MSXVTQLDYSEAKT-UHFFFAOYSA-N 419.507 0.057 30 20 HCED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 775006927 RIGZXJYUZOSVRB-UHFFFAOYSA-N 414.466 0.339 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCOC(=N)O)nnc12 777771649 KMAHTFNAAXAFAL-UHFFFAOYSA-N 402.436 0.948 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)nc1 780693964 ARGTXGUZXGVSLY-UHFFFAOYSA-N 421.504 0.784 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 783480006 NZGFAGFAOICMJC-SJLPKXTDSA-N 420.487 0.832 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 784918774 WFCPAUYGADCUGF-UHFFFAOYSA-N 409.439 0.409 30 20 HCED COC[C@@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 785078629 FRRKIGGRWBWLOE-CQSZACIVSA-N 410.448 0.956 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795837910 JZIWHJOXIADEIM-OAHLLOKOSA-N 405.329 0.173 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)CC2)o1 796278899 HEKFGMXHEFNABJ-HNNXBMFYSA-N 403.439 0.481 30 20 HCED COc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)c(OC)c1 800606624 ANQMCGSWNJGSJO-WUKNDPDISA-N 402.407 0.593 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(F)(F)F 807303766 SOVGNFPJCHKUMH-LBPRGKRZSA-N 422.385 0.466 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 807357336 LVHZLUPJSBCHJX-ZUOKHONESA-N 416.409 0.755 30 20 HCED C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C(C)(C)C 808235767 FKBYVWHNYKOGSB-INIZCTEOSA-N 407.540 0.881 30 20 HCED 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C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@H](OC)C2)CC1 944044639 QEXHHARWELNNJA-YBRIYBKASA-N 401.507 0.097 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cn3)CC2)cn1C 1117515358 QSPYBMOHMIKTEN-UHFFFAOYSA-N 402.480 0.712 30 20 HCED COC(=O)c1cc(OC)ccc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1186548620 INXSBLSDCGIFHQ-UHFFFAOYSA-N 411.480 0.718 30 20 HCED CCN(CCC#N)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCO1 1201021495 BCRVOGWAIBASFE-UQZKUAJDSA-N 404.511 0.379 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)C1 1302979546 RGRNUPPVYCBUGQ-HXUWFJFHSA-N 413.457 0.955 30 20 HCED CC(C)(C)S(=O)(=O)N1CCC(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1320737738 ZDRFDFNMDDYRFS-WUKNDPDISA-N 412.512 0.612 30 20 HCED CN1CCC(N2CC[C@@H](N(C)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)CC1 1342860004 ZCOGCNYRTASTJW-OZNQOIHVSA-N 404.515 0.323 30 20 HCED CCn1nc(C)c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1478859042 BAIPBDOZWBXZAY-UHFFFAOYSA-N 417.495 0.694 30 20 HCED 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ANYOLUPNHAJZKR-BXWFABGCSA-N 410.540 0.855 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1cccn1 1840440353 JLWMXTJCVGHTAV-XXBNENTESA-N 422.485 0.952 30 20 HCED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129826 CERNPYFXFVRSFT-UHFFFAOYSA-N 424.482 0.707 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(C)=O 1847942351 NIRWWJNHQSNARO-PMPSAXMXSA-N 408.499 0.794 30 20 HCED CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCC#N)cc1[N+](=O)[O-] 9550438 PDJOATJPWTUMBR-UHFFFAOYSA-N 416.437 0.168 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC(=O)NCc1ccco1 17223436 TZMROOUZBWIEJX-UHFFFAOYSA-N 400.391 0.958 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 139084731 NQOAGWAURIYUHV-OAHLLOKOSA-N 404.496 0.691 30 20 HCED CCN1CCN(C(=O)CC2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC2)CC1 410132306 UCLKQUBUVVZWAW-KRWDZBQOSA-N 413.588 0.979 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 429181026 KAMLOQOJFPFUFI-UHFFFAOYSA-N 409.512 0.943 30 20 HCED N#CCCn1ncc(C(=O)NCC(=O)NCCN2CCOCC2)c1-c1ccccc1 429982858 TXCTWUIKRFFXGU-UHFFFAOYSA-N 410.478 0.642 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 430398540 IWLFYSKLWIUBSQ-RDJZCZTQSA-N 400.483 0.346 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(C#N)nc3)c2)CC1 435197051 HRTLBQYPWYXJGZ-UHFFFAOYSA-N 421.504 0.690 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)n1 444519806 NHAPALDMLRNCOS-IXDOHACOSA-N 406.446 1.008 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c1 464128482 PGNWZBGIKWJVTO-INIZCTEOSA-N 417.491 0.728 30 20 HCED N#Cc1cccc(CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 466813178 OXSYPUMDICHMDV-UHFFFAOYSA-N 407.496 0.005 30 20 HCED N#Cc1ccc(N2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)c(F)c1 469220363 NLYDFABXZCZZSY-UHFFFAOYSA-N 408.437 0.991 30 20 HCED CC(C)[C@@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(=O)N(C)Cc1nnc2n1CCC2 470994870 GTDNOJLIPTWYBI-UYAOXDASSA-N 403.531 0.851 30 20 HCED Cc1nsc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 471022912 QRYWXQXRFYVQJP-UHFFFAOYSA-N 416.511 0.485 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)ccc21 471025294 KRIPAHDEULRQGE-JKSUJKDBSA-N 400.435 0.162 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)C2CC2)CC1 474231196 LAQBDOXNEMRREM-AWEZNQCLSA-N 404.492 0.696 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)Cc1cccnc1 476724267 YEVOYRWIFRFBCR-AWEZNQCLSA-N 415.475 0.790 30 20 HCED CCOCCOC[C@H](O)CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 479779725 RQDADMMXCGZLFK-QZTJIDSGSA-N 404.467 0.767 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 482174166 GVCAEHMLSPEBKK-FUHWJXTLSA-N 420.535 0.796 30 20 HCED COC(=O)CC1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOCC1 489994863 ROLRGTYDEYUFDB-UHFFFAOYSA-N 405.455 0.205 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 508006395 QJOSQTDUOCRJKF-ZUOKHONESA-N 413.434 0.875 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(N)=O)C1 508863604 KRDLAHTZXBDSQG-AWEZNQCLSA-N 404.496 0.693 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CS(=O)(=O)CCO3)C2)c(F)c1 509214562 YEVNECZBGIXMCH-HUUCEWRRSA-N 410.471 0.779 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 510628680 JMHVXNWXGOXZHM-GJZGRUSLSA-N 422.445 0.771 30 20 HCED CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1F 511377223 JKODHSLUNISSLQ-UHFFFAOYSA-N 416.460 0.417 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CC(N)=O)c1ccccc1 512245690 WIAFAJRZNUEUOU-SUMWQHHRSA-N 400.460 0.958 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCSC 512719547 CCPGMQSDFBQQPE-UHFFFAOYSA-N 403.533 0.294 30 20 HCED CCN(CCCNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513983762 TYKAGFHELJKGDC-KUHUBIRLSA-N 419.507 0.713 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](C)N1CCOCC1 514306711 IYRPPECIEMXBHV-JKSUJKDBSA-N 417.485 0.571 30 20 HCED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1C1CC1 514914921 VMDARPCNCMUYHH-UHFFFAOYSA-N 424.526 0.196 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CCN(C)CC1 516831854 DJZSBPMKVNDMMP-UHFFFAOYSA-N 412.515 0.434 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)n1 538077675 AENXHRSUUQGZPU-LBPRGKRZSA-N 410.500 0.236 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 538485909 NZYGHUWNGLHCBX-ZDUSSCGKSA-N 408.480 0.776 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 539692475 ZYDMNWNUZJWELA-UHFFFAOYSA-N 415.494 0.858 30 20 HCED CC(C)(C)[C@H](CCO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 546930200 NIISMEBTEQWNNV-SFHVURJKSA-N 422.551 0.778 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)C1=O 548984898 VCTNZKOYARHDMV-ZDUSSCGKSA-N 402.494 0.506 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)nc1 551066256 NCVRUCJHQMUIBM-AWEZNQCLSA-N 407.386 0.903 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 552222974 RRLMKRMXLWMSQP-ZFWWWQNUSA-N 414.491 1.003 30 20 HCED COC(=O)c1cccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 555871228 FYDOBOKNMIFGJX-UHFFFAOYSA-N 410.430 0.977 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1ccc(C#N)cn1 556605274 WJTQSLQXKBSHJH-UHFFFAOYSA-N 403.420 0.077 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3c(F)cccc3F)CC2)c1C#N 559818230 ZBAJXMOGFWAMRT-UHFFFAOYSA-N 416.432 0.886 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 564463123 OJNGUQAEETXYKP-GFCCVEGCSA-N 421.417 0.355 30 20 HCED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(F)(F)F 564691533 FJCKYXLGAUFIIL-LBPRGKRZSA-N 404.414 0.932 30 20 HCED N#Cc1c(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)n[nH]c1C1CC1 569281977 MCSIRLGUTROTQA-UHFFFAOYSA-N 407.477 1.493 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1=O 580693210 CBBLIBOTMRFKIB-INIZCTEOSA-N 409.446 0.527 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(CCC#N)CCCN(C)C)cc1 581638053 AZWOAJPNMKMLEO-UHFFFAOYSA-N 409.512 0.617 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 589852973 IITXEVHFWXUKSG-UHFFFAOYSA-N 414.491 0.675 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccnn2C)c1=O 603995108 UUNKSRVVLMMBTB-UHFFFAOYSA-N 402.476 0.325 30 20 HCED N#Cc1ccc(NCC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 604445483 JFCRZOIXPWMFSK-UHFFFAOYSA-N 403.420 0.973 30 20 HCED CCNC(=O)COc1ccc(CNC(=O)NC2CCN(CC#N)CC2)cc1OC 609338298 YDKVYODYDUBXAD-UHFFFAOYSA-N 403.483 0.997 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1F 615628651 BWJIBFNVDKNRGZ-WYRIXSBYSA-N 422.388 0.910 30 20 HCED C=CCCN(C)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 682435027 PNGVXRVURQVZSE-UHFFFAOYSA-N 401.511 0.870 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCOCC 725763403 JXBLDONUPTWWCI-UHFFFAOYSA-N 404.517 0.517 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NCC)ccc2F)CC1 729256938 NMVHMWHWAHTHIR-UHFFFAOYSA-N 424.498 0.021 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S(=O)(=O)CCC)CC1 729257233 XIEVWGAJYHLIBS-UHFFFAOYSA-N 405.520 0.768 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 732467424 VEUKPRFOGXFWJD-MSUUIHNZSA-N 415.410 0.348 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC1 734495631 UFYJQAXMCQJNNF-UHFFFAOYSA-N 407.492 0.547 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)[C@H](O)C2)cc1 756113769 KMVNYMGXJUYYBE-XYVNHNRLSA-N 410.496 0.849 30 20 HCED CC(C)[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1CCCS1(=O)=O 756886051 QZLQQBZHUIRCMK-QLFBSQMISA-N 414.528 0.922 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 756920972 SAOIGTLTMBOSIK-RWMBFGLXSA-N 403.526 0.782 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 757146661 BYPOHIXPTPLXOG-MLGOLLRUSA-N 413.463 0.115 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 761036489 HBMGCFXISOFNPL-AZUAARDMSA-N 407.536 0.527 30 20 HCED COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 763407306 KOGDNZXRRGTHPJ-SFHVURJKSA-N 400.370 0.500 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1cccc(C(N)=O)c1 764987315 BONDXRVZULMGBK-ZDUSSCGKSA-N 400.460 0.983 30 20 HCED CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678194 WPYLDIPSRNXHTO-QWHCGFSZSA-N 424.479 0.639 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3cccc(OCC)c3)n2N)CC1 768419639 ATPSYRHVLHZVOQ-UHFFFAOYSA-N 400.508 0.927 30 20 HCED CCOC(=O)c1nnc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)s1 768725414 KKKPFPLZFSNQLN-UHFFFAOYSA-N 409.449 0.782 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2ncon2)C1 771472757 GVVQOWQRDURYDS-ZDUSSCGKSA-N 405.436 0.488 30 20 HCED CCCCn1nc(C)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1Cl 771892757 UTZPUXQITWJJOS-UHFFFAOYSA-N 416.891 0.355 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cn1 772314909 QHLDFMODOXANBH-UHFFFAOYSA-N 405.439 0.078 30 20 HCED N#CCCCS(=O)(=O)NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 776117479 RBTYKBTXRSXOBG-UHFFFAOYSA-N 414.237 0.795 30 20 HCED C#CCCN1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 776592745 MPRWLKFASLUMHM-UHFFFAOYSA-N 409.490 0.001 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 783475873 PGOWPVUVQYEKLT-ZFWWWQNUSA-N 420.487 0.996 30 20 HCED CNC(=O)[C@H](Cc1ccccc1)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785024944 RSZHFGNFTQQABG-HNNXBMFYSA-N 401.444 0.626 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 785158906 GGRGUGHZOOXRAU-HNNXBMFYSA-N 407.492 0.812 30 20 HCED N#CCN(C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 786367019 MFBBHHMYINMDAS-LTDCPUDJSA-N 411.414 0.639 30 20 HCED COC/C=C\C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 786595473 SUUPOBAYHJTXKL-DAXSKMNVSA-N 407.448 0.137 30 20 HCED C#C[C@H](NC(=O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCO1 787094256 UWRLYUINEYGLNP-ROUUACIJSA-N 401.438 0.844 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccnc3-n3ccnc3)CC2)nc1 787462048 IKWXNVKTBHVQMS-UHFFFAOYSA-N 416.445 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C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(C)=O)C2 1804376577 NZBGHMMADFXMDA-YYIAUSFCSA-N 420.510 0.677 30 20 HCED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1)n1cnnn1 1813471285 TVJUSXHSTQRDSK-SKDZVZGDSA-N 419.449 0.849 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1819706843 RGUGUDGQOYHGLK-CDMKHQONSA-N 408.480 0.737 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1831420685 ZYXQGCNVNPPKNY-JXFKEZNVSA-N 406.483 0.390 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1831421015 CYNIPJADWBHNFK-UZLBHIALSA-N 406.483 0.390 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1831426148 JPVPWSDUNCTHJQ-HRAATJIYSA-N 419.478 0.751 30 20 HCED CC[C@@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833255924 FZVNRADKHCDIOE-GOSISDBHSA-N 407.559 0.611 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnn1CC)CCO2 1834410905 DSVUGHAQVXKDFW-LJQANCHMSA-N 408.524 0.892 30 20 HCED CN(C)CCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834615144 NSOMWKYRSMJEJL-UHFFFAOYSA-N 420.602 0.792 30 20 HCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)CN3CCNC3=N)CC2)CC1 1834703026 JAUVTHGHNXRSMM-UHFFFAOYSA-N 422.599 0.317 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CCSC(=N)N)CC3)CC2)CC1 1834708456 ZSWVWDGDKMEPNE-UHFFFAOYSA-N 406.556 0.879 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1835354602 QHXYSKRKMQSVKV-NRFANRHFSA-N 401.463 0.963 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835445615 RZWIZGRFVMCTRY-AYOQOUSVSA-N 407.555 0.902 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1837403908 VZJMGCNHSUXMKZ-XGHQBKJUSA-N 411.543 0.356 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1837638152 VXCSLBJVJYPQSH-UHFFFAOYSA-N 424.548 0.759 30 20 HCED Cc1nc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 1838005448 BYVJUQKTKQPLOG-HXUWFJFHSA-N 413.434 0.875 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838102060 VJILHJFVBVZFSS-LJQANCHMSA-N 409.439 0.433 30 20 HCED Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838733043 LPYBMZDFWKPDJS-QFIPXVFZSA-N 423.473 0.903 30 20 HCED Cn1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)cn1 1838908467 BMZCOWLPHMEWEO-JOCHJYFZSA-N 423.473 0.604 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1839806595 UGHPAPSIJRGXPJ-FQEVSTJZSA-N 401.419 0.617 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840163140 DNOLURVMLYHFDO-KUHUBIRLSA-N 404.492 0.723 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2 1840181480 BCMAQCCIAANFHC-NHCUHLMSSA-N 424.494 0.252 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840409904 KFRGUVPCQOJMQD-FQEVSTJZSA-N 402.451 0.115 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819052 MCSWQFXYOUKEMD-OAQYLSRUSA-N 412.446 0.697 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840837925 KCMJMAYXWJYZPF-MWWGGHNWSA-N 410.467 0.047 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840841244 KVTXJYBWRHAWGJ-HXUWFJFHSA-N 404.442 0.910 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1842920631 IXHYREPXUVXLBN-DLBZAZTESA-N 415.538 0.873 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)n3)C2)c(C#N)c1 1843358362 JCJDZPLUHYJELH-UHFFFAOYSA-N 423.429 0.828 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1845252928 DSWUVEJLBOKYHM-LBPRGKRZSA-N 423.495 0.456 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1847070436 XYIYGVHGXWXTIX-OAHLLOKOSA-N 416.482 0.398 30 20 HCED Cn1cccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 7771729 GHIMZKVCPIUIKI-UHFFFAOYSA-N 416.459 0.587 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(CC(=O)N2CCCC2)CC1 109013438 IFKLMPHOVLDXEP-UHFFFAOYSA-N 421.505 0.922 30 20 HCED CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CC)C[C@H](C)C#N 409556705 YVUDWRRUDBOWTD-HZPDHXFCSA-N 408.590 0.544 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)CNc3cccc(C#N)c3)CC2)CC1 426446162 UCKZJNVYUREWIB-UHFFFAOYSA-N 412.538 0.667 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)nn1CCC#N 438778572 XQSIZSXKULUALG-BRWVUGGUSA-N 402.499 1.144 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc2)C[C@H](C)O1 438870156 ADDNWBIVVOQZRK-RDBSUJKOSA-N 408.480 0.841 30 20 HCED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CCS(N)(=O)=O)CC1 440339779 JUDBONKITVHKJT-GFCCVEGCSA-N 411.553 0.342 30 20 HCED N#CCCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 471249935 KBJALNBFVAETNN-UHFFFAOYSA-N 418.397 0.725 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N[C@@H](C(=O)NC)c1ccccc1 476043173 QZOGRBJRBNDYBL-MRXNPFEDSA-N 417.491 0.719 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)c3ccccc3C2)CC1 481743568 XVTQUGCUEXECNO-SFHVURJKSA-N 404.536 0.968 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2C(N)=O)CC1 486019618 WKDWDARVFZVSJP-UHFFFAOYSA-N 412.471 0.733 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3C(N)=O)CC2)cc1 486027391 JXDJLOGGOUOQER-UHFFFAOYSA-N 412.471 0.733 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 486638117 FHHXKPYPUCKRNR-OAHLLOKOSA-N 401.510 0.619 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 489010110 JHPXKHIWSNDLJA-GFCCVEGCSA-N 404.517 0.115 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 489896245 DJWHFUZPEGGYJZ-ZDUSSCGKSA-N 404.489 0.637 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)OC)c2)CC1 491051847 PIZBGRXPOIDPSW-UHFFFAOYSA-N 402.451 0.167 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)C1=O 500023110 GAXHLMMWAPCHBB-LBPRGKRZSA-N 422.507 0.989 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CCN1Cc1ccccc1 502239768 ZRQARIJFKVUHBR-QYZOEREBSA-N 409.490 0.493 30 20 HCED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 506927341 PJALYFBOQUYHSH-CABCVRRESA-N 411.528 0.912 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OC)n2)CC1 508811020 QZBYFDCGVXOPPB-CYBMUJFWSA-N 422.515 0.200 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)NCC#N)cc1NC(=O)c1ccccn1 511056678 BWDRNBSMFPOLSO-UHFFFAOYSA-N 403.420 0.261 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CC2)cc1 515444508 JDGIXWRALWEQIC-RYQLBKOJSA-N 405.476 0.443 30 20 HCED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 523468083 YBMWNRLKMKFMFK-GFCCVEGCSA-N 410.452 0.025 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)n1 531499634 ZEIVHNAWGJOIQO-UHFFFAOYSA-N 404.434 0.960 30 20 HCED COCC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 539362843 CKAFQOUIAXJOOL-LJQANCHMSA-N 417.485 0.325 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 539909050 RMLWRQUUYLCPCR-HNAYVOBHSA-N 415.523 0.789 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCS1(=O)=O 541358208 QGZOHCVLQZMHGE-AWEZNQCLSA-N 409.464 0.605 30 20 HCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2NC1=O 546196534 JGHNUMARZCYQCK-ZDUSSCGKSA-N 420.429 0.960 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](Cc2ccccc2)C(=O)OCC)C1=O 547640920 SVWYWBUNRZCZQL-OAHLLOKOSA-N 401.419 0.596 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C3CC3)[C@@]3(CO)CCCO3)CC2)o1 550140808 JZSHURMTXLJKNR-QUCCMNQESA-N 403.483 0.413 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccnc(N4CCCC4)c3)CC2)n1 550754806 OCNJSRFLKFUUBJ-UHFFFAOYSA-N 419.489 0.913 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CCN1Cc1ccccc1 552339397 MVEYSOYXAROVHY-OALUTQOASA-N 400.479 0.535 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553162693 KMPPDZFYDMYLSH-LSDHHAIUSA-N 422.482 0.285 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 555096071 KWVAAOAITCVSHA-LLVKDONJSA-N 403.482 0.111 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC1 557733195 PNOWWUOQUCDOOH-UHFFFAOYSA-N 420.476 0.866 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)n1 571434488 CZFOFBSZZLZXBK-UHFFFAOYSA-N 420.477 0.177 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCCO1 579057455 WJWSSJLEDAVKBB-QYZOEREBSA-N 400.479 0.533 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3ccccc3C#N)CC1)CC2 580376851 BFGBRSCMWPCGIK-MRXNPFEDSA-N 423.477 0.076 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 581694486 SZWDIKOWPKTWAN-CQSZACIVSA-N 411.480 0.008 30 20 HCED COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1OCCO 583351270 QZIDALQGDFUEFR-UHFFFAOYSA-N 419.459 0.533 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)c1cccc(C#N)c1 585704388 PYBPZYICQFNJNC-CQSZACIVSA-N 400.460 0.830 30 20 HCED C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 588128727 IAPFPNGEUSQUNE-XLIONFOSSA-N 413.522 0.496 30 20 HCED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 588960499 UMMBITYDXOQRNR-IBGZPJMESA-N 424.486 0.856 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)c(Cl)c1 603552765 IOEQGOIKQZFBKQ-UHFFFAOYSA-N 417.853 0.674 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1-n1cnnn1 604168925 MLZYHDTXUMIVCJ-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(NC(=O)COC)CC2)cc1 606018617 IXWJAWDZGOPBEG-UHFFFAOYSA-N 417.466 0.686 30 20 HCED Cc1ccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)cc1S(=O)(=O)NCC#N 609664863 LHYYLRAFCWYEKL-SFHVURJKSA-N 419.551 0.649 30 20 HCED COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 610103391 NZKXWLAXZQCTPJ-GFCCVEGCSA-N 424.479 0.461 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 610574430 UOKTWOQENGPBTM-UHFFFAOYSA-N 424.526 0.548 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnnn1-c1ccccc1 610804289 VCSBQDQJVCKSBQ-ZDUSSCGKSA-N 411.447 0.517 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 672356767 LLAZGEPESNVFCK-KRWDZBQOSA-N 413.522 0.637 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cn1 729030776 GMSUWCBHGQHREJ-OAQYLSRUSA-N 422.397 0.727 30 20 HCED Cc1cc(=O)n2nc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)sc2n1 729540186 VBRBWXIQRSIIHO-UHFFFAOYSA-N 419.444 0.353 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1=O 732778355 DDASCDGMMQCNRE-LLVKDONJSA-N 418.397 0.347 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(C)CCOC2)c1 733668880 XYNCWCYKUIOJDJ-OSEFQUDUSA-N 422.507 0.981 30 20 HCED COC(=O)c1c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n[nH]c1C 734003201 GUGJENLROCLVEY-HNNXBMFYSA-N 403.464 0.903 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1 735000582 LALKDVKLXRJCHS-HMMYKYKNSA-N 419.463 0.149 30 20 HCED Cn1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(=O)n(C)c1=O 735154110 TZLVMSCXCJWMJO-UHFFFAOYSA-N 404.810 0.841 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)c1 737308051 WDLGUAXZIHYNOO-NDWLXSOOSA-N 422.507 0.715 30 20 HCED Cn1cc(N2CCC[C@H](OC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cn1 741829442 FKIVNRMXOHLBNI-INIZCTEOSA-N 417.447 0.309 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cc1 744038877 BIKYFJPBWMTLPE-HNNXBMFYSA-N 414.443 0.905 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 748549939 AWGLSNKSABHFCF-UHFFFAOYSA-N 400.416 0.009 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 749158143 URMRCRBUNPGQLA-UHFFFAOYSA-N 412.427 0.139 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C2CC2)cc1 749696580 RVSKVINFVPAJJO-SSPLZPMDSA-N 408.480 0.325 30 20 HCED C#C[C@H](CC)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 753178671 WCAXSHDLGHKHPT-CYBMUJFWSA-N 417.509 0.502 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1 758471265 JLIPHXMNHGREHX-UHFFFAOYSA-N 408.480 0.657 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)cc1 777492710 UEFARZRYRYSBOZ-UHFFFAOYSA-N 406.508 0.816 30 20 HCED 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0.178 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1837314292 MRRFPOMPQQSXCU-HLIPFELVSA-N 418.498 0.459 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)on1 1837441086 QXZYIWYDNYMWHB-BCVDLATCSA-N 419.482 0.525 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837443830 KSRSRGDJKTYZRT-OGTJOQQYSA-N 420.510 0.607 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n[nH]1 1837583227 IATWSXYQXWLBMT-IEBWSBKVSA-N 410.540 0.671 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837588561 QDXULQRYMNXJRX-UWJYYQICSA-N 420.510 0.290 30 20 HCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837737752 FNNXVOMVGSWPPK-HRAATJIYSA-N 415.494 0.888 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4CCOCC4)CC3)CC2)CC1 1837790700 DSTMGNMSEIGKLB-UHFFFAOYSA-N 404.511 0.621 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccnc(Cl)n4)CCO3)C2)CC1 1837921901 UBWXNTUPHSTSGK-GOSISDBHSA-N 405.842 0.504 30 20 HCED CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838584744 DOHADCWXIDOHAY-NRFANRHFSA-N 415.446 0.616 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cc3ccc(O)cn3)CC2)CC1 1838774237 SSGFOAHNGXCWSS-UHFFFAOYSA-N 415.446 0.416 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)[nH]1 1838905593 NXMKXNUCOBGVGO-OAQYLSRUSA-N 409.446 0.974 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839223777 ICBLHNJFHWLOLG-OXJNMPFZSA-N 421.498 0.599 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839642432 OSAXXNQMPVJBIG-JTSKRJEESA-N 414.506 0.968 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1839889136 DQNVTJGPHLLFAQ-KDOFPFPSSA-N 415.437 0.345 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1)C(F)(F)F 1839893937 ZETKPZAHPKSRJJ-MRXNPFEDSA-N 419.356 0.355 30 20 HCED COc1cc(C)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043762 SNJSUCAWSSVPFM-NRFANRHFSA-N 416.430 0.162 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059980 UEPNRNCKFREROR-VQIMIIECSA-N 409.508 0.812 30 20 HCED COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840157592 VLYLBMKKVBIFEU-QRWLVFNGSA-N 424.519 0.849 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)CCC1 1840816201 QRGIQNOCTURBOB-NRFANRHFSA-N 414.462 0.480 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C1 1842912533 ZPZJFRPKILAJMJ-QWHCGFSZSA-N 400.545 0.750 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845913453 HCROHFORPNZLJV-MRXNPFEDSA-N 408.520 0.466 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847512667 NIGYDKXHMVOYEA-UGUYLWEFSA-N 409.483 0.112 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)n1nc(C)ccc1=O 1847805024 OLSRYCKVTADJBF-ULQDDVLXSA-N 400.479 0.527 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1848326433 MVHVNMGONRGNQK-YESZJQIVSA-N 421.519 0.874 30 20 HCED N/C(=N/CCCN1CCN(Cc2ccccc2)CC1)NCCCN1CCOCC1 303888929 LRQUCMGAJUFYMQ-UHFFFAOYSA-N 402.587 0.821 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 410411428 OWJPAUBCNONCDA-JKSUJKDBSA-N 410.544 0.758 30 20 HCED C[C@H]1CN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1c1nccn2cnnc12 433394136 KIOOGCXMYRQHRV-YOEHRIQHSA-N 416.445 0.839 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1=O 440286862 ZCHXUVPTVIHXDO-IAGOWNOFSA-N 414.462 0.988 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1 442220351 FFFPGKLVNBZRTL-UHFFFAOYSA-N 424.413 0.595 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)nn1 462090369 PSDYTEGXGGJISO-CQSZACIVSA-N 407.394 0.996 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)n1 462604092 RYWYLFWUARZIQI-CYBMUJFWSA-N 406.468 0.940 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 462723764 SZZQRPDTBQUSDD-MRXNPFEDSA-N 417.491 0.810 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 463683755 IWEGTAMHGBUYQO-UHFFFAOYSA-N 401.448 0.572 30 20 HCED CCCn1c(CCC(=O)N2CCOC[C@@H]2C#N)nc2cc(S(N)(=O)=O)ccc21 464797983 ZIARIGTWOSDDMT-ZDUSSCGKSA-N 405.480 0.777 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCN(c4ccccc4C#N)CC3)c2n(C)c1=O 465164187 CFLUQFJSBWZLSX-UHFFFAOYSA-N 406.446 0.259 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCOC[C@H]3C#N)cc2)C[C@@H](C)O1 471238471 JUXYWNJXNXAMCZ-HLLBOEOZSA-N 422.507 0.647 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2)c1C#N 471690258 XXSCRUJJEGTWDQ-UHFFFAOYSA-N 422.536 0.679 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n(C)c1=O 477240372 ZMYWGVUCVZCWPF-UHFFFAOYSA-N 419.363 0.620 30 20 HCED CN(CC(=O)Nc1ccc(CS(N)(=O)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 478251019 JSUOUTDHBFCKAF-UHFFFAOYSA-N 422.488 0.606 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2Cl)c1=O 487399707 SBXHLQIIHQMRIS-UHFFFAOYSA-N 407.854 0.601 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 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HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)C1=O 519104633 JIOHAPXJMSZJAQ-AWEZNQCLSA-N 414.466 0.687 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 520265574 JALJAEQNAFQGPF-MJGOQNOKSA-N 402.495 0.163 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)c1 523053440 PMYDHQJBJBWHFG-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)cc1 527136047 SVFVNULSEFGKLS-UHFFFAOYSA-N 404.492 0.758 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC4CCOCC4)CC3)CC2)o1 533300361 RCLWWOLLLMBCBK-UHFFFAOYSA-N 416.526 0.548 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 535329643 KGLBFBBUQATQEL-CQSZACIVSA-N 421.527 0.382 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 537152582 FPKZLMQSPYNUJB-GFCCVEGCSA-N 415.479 0.493 30 20 HCED Cn1cc(I)c(=O)n(CC(=O)NCc2ccc(C#N)cc2)c1=O 538756052 FSDDHKMCHKYUGL-UHFFFAOYSA-N 424.198 0.340 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CC1 541582030 JEZUWELDPXLPOG-LSDHHAIUSA-N 411.553 0.210 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC1 550664849 ZKOQOYWOVDBAHA-UHFFFAOYSA-N 418.501 0.776 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(N(C)C)CCCCCC2)CC1 555736665 JESVCDURARYMDS-UHFFFAOYSA-N 407.559 0.204 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 557345914 VXACXBWYFLKVHW-CQSZACIVSA-N 408.480 0.776 30 20 HCED CS(=O)(=O)CC1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 557988113 NMZFTQDLUFRNGJ-UHFFFAOYSA-N 419.438 0.763 30 20 HCED COCC[C@H](COC)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 567551349 MNRDCRRGGDOCKZ-CQSZACIVSA-N 405.842 1.504 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 569510941 RXTVGZGBFNEVPO-LSDHHAIUSA-N 412.560 0.764 30 20 HCED CC(C)C[C@H](CO)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572074440 WOCDEIFLRSHDKY-QZTJIDSGSA-N 400.479 0.641 30 20 HCED CN1CCC(CN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 573479527 YBGDCMJHCDNSFU-LJQANCHMSA-N 411.506 0.576 30 20 HCED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 584015383 DKSSHIZOZVBASG-KKSFZXQISA-N 411.462 0.154 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC(=O)NCc2ccccn2)c1 584204204 YCLGINHFRLWDDO-UHFFFAOYSA-N 401.448 0.054 30 20 HCED Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868406 LPPTVMZYDUPIIH-SJORKVTESA-N 421.461 0.268 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cc1 590997083 UGGIPEISNFPFKH-UHFFFAOYSA-N 411.483 0.615 30 20 HCED Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 603835010 SSAFZJLPDHYENH-UHFFFAOYSA-N 408.461 0.431 30 20 HCED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 609152738 CCOLQZLPGOCTBG-SFHVURJKSA-N 416.526 0.952 30 20 HCED N#C[C@@H]1CN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCO1 609282973 JWMTUGAIMNANAX-GOSISDBHSA-N 401.467 0.781 30 20 HCED COCCN(CCC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 610987672 MJNGCITVVXNWEJ-AWEZNQCLSA-N 411.480 0.903 30 20 HCED C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611662365 RWCCJGVOYZGHEJ-YDHLFZDLSA-N 413.452 0.020 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(CNC(C)=O)s2)C1=O 726042118 CTFLSYOBARPDNJ-UHFFFAOYSA-N 407.404 0.087 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCc2ccccc2OC)C1=O 726043873 UQLVLIQXWXIMOL-GFCCVEGCSA-N 403.391 0.220 30 20 HCED CN(CCS(C)(=O)=O)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 728026778 CHNDWBTVMFDVML-UHFFFAOYSA-N 415.537 0.789 30 20 HCED COCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 732795753 WOLWOYIQLLPGTO-UHFFFAOYSA-N 423.498 0.456 30 20 HCED N#C[C@H](C(=O)COc1cccc(Br)c1)C(=O)N1CCS(=O)(=O)CC1 732910806 SMLVZDGTYVNGDW-CYBMUJFWSA-N 415.265 0.794 30 20 HCED CC[C@@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 739124840 WVUSQBGPWDAZKR-JEEMYIIMSA-N 410.496 0.979 30 20 HCED COC(=O)Cn1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 742625946 XQEHEUACDBMKRF-NSHDSACASA-N 405.436 0.512 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1 742641209 CIEXOHWFICMCBS-UHFFFAOYSA-N 417.897 0.767 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)o1 746386288 ODZLCYZTLMKINR-UHFFFAOYSA-N 415.431 0.348 30 20 HCED COc1cccc(OCCN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746447066 RMNXTVRMACKUFX-UHFFFAOYSA-N 412.450 0.577 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)CC1 747816750 ULJQELHEIAAVCL-GOSISDBHSA-N 416.566 0.945 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)CC1 747993413 KQIDXUVXZHCPIS-UHFFFAOYSA-N 405.476 0.407 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 759458316 WRDYLODMRBHXAC-UHFFFAOYSA-N 402.361 0.944 30 20 HCED C[C@H]1CC(=NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)NO1 763261389 RBGZYRCVPWVKJZ-AWEZNQCLSA-N 408.480 0.538 30 20 HCED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 765250096 BSFHKAIHCXAEOG-RISCZKNCSA-N 419.463 0.127 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NNc1ccc(S(=O)(=O)NC2CC2)cn1 766356980 QNJQTSHNAIUIFO-UHFFFAOYSA-N 423.476 0.708 30 20 HCED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767634162 FFLYMYREBCEKFX-NWDGAFQWSA-N 410.452 0.391 30 20 HCED CC(C)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] 771896514 AZHAKTJAMGHSLG-UHFFFAOYSA-N 409.424 0.428 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CC(C)C)c2=O)cn1 772280379 YRRQTQAIKLEHKQ-AWEZNQCLSA-N 415.519 0.517 30 20 HCED COC(=O)Cn1cc(C(C)=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)nn1 772838159 FSUUWXFJSXFADS-UHFFFAOYSA-N 421.483 0.857 30 20 HCED CS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 780025523 WJLKEVYSITXGNX-MRXNPFEDSA-N 408.480 0.414 30 20 HCED N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 780469942 LFGYDTAWTHGKCM-UHFFFAOYSA-N 404.408 0.639 30 20 HCED CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCN2CCNC(=O)C2)c1 781104374 SQSSPHPLDLEOSG-MRXNPFEDSA-N 417.535 0.748 30 20 HCED CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1 782130615 YHPOCSQLEWMXTE-UHFFFAOYSA-N 401.448 0.896 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)CC1 782449071 LZNHLYAXCIWSQR-UHFFFAOYSA-N 411.455 0.058 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1-c1noc(C)n1)[C@H]1CCS(=O)(=O)C1 783479620 FIJBSLMQJTWSSN-ZDUSSCGKSA-N 402.432 0.632 30 20 HCED COc1ccccc1CN1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787777144 IBPJHWDAQYNMIO-UHFFFAOYSA-N 422.489 0.834 30 20 HCED Cc1ncc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1C#N 793358220 NYDHTDDKBVXOSP-UHFFFAOYSA-N 422.492 0.747 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 794736343 XMPAZLGRNLMJGR-AWEZNQCLSA-N 411.443 0.672 30 20 HCED COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N(C)CCC#N 796243327 WNOGCOQIEJMKRP-ZDUSSCGKSA-N 404.489 0.561 30 20 HCED C#CCC[C@@H](O)CNC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 799078997 IYHXWGKBVJQIRU-CQSZACIVSA-N 401.467 0.847 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 806863425 JYHSQTWYBZISKG-UHFFFAOYSA-N 424.392 0.913 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 807350674 TUHGEDZUTNNPRS-PBHICJAKSA-N 407.492 0.861 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)OCCOC2(C#N)CCOCC2)c1 809083281 JRWRQRWAOSFJTO-UHFFFAOYSA-N 412.464 0.857 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)c(C(F)F)n1 812275469 AJBGHJKCKSRVRC-UHFFFAOYSA-N 405.430 0.697 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)[C@@H]1CCCO1 815574917 GPDJMYCGOSIZPZ-HOTGVXAUSA-N 415.450 0.206 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 857673309 MWSLSBDOABLFIS-AWEZNQCLSA-N 423.491 0.128 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@H]2CCCO2)CC1 913404245 QONGJSUSBLNANQ-OAHLLOKOSA-N 406.508 0.438 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@@H](NC(C)=O)C2)c1 918957343 UDAQQBCRURUTPM-MRXNPFEDSA-N 423.491 0.435 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 1054788077 OCBZEWPZAKCSBA-SFFUCWETSA-N 402.476 0.335 30 20 HCED Cc1nc(N2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1144464226 LGTPOFFTYWIAOO-GFCCVEGCSA-N 417.495 0.279 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cn1 1193782255 YZPPKEDNZXNXGY-UHFFFAOYSA-N 406.489 0.868 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1301810467 XURDHZMOLHLBDU-MRXNPFEDSA-N 421.527 0.752 30 20 HCED COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@@H](C(=O)OC)C1 1320210090 LJSJIPBFGYUVDE-BFYDXBDKSA-N 413.430 0.864 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1324257473 YZLQEJVBTKFQAH-XUXSRRMHSA-N 403.361 0.223 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](O)COCC3CC3)C2=O)cc1 1330808242 VFPNWVHGIWXLFD-IAGOWNOFSA-N 400.435 0.667 30 20 HCED CN1CCC(N2CC[C@H](N(C)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)CC1 1342860002 ZCOGCNYRTASTJW-NXDJFEHLSA-N 404.515 0.323 30 20 HCED COC(=O)C1(C#N)CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 1460114059 WSVGCAQKWYXMEG-CYBMUJFWSA-N 420.491 0.390 30 20 HCED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1504410435 KQMSHLYWMDAOGK-UWJYYQICSA-N 412.494 0.673 30 20 HCED Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1511749739 LYOQMERYMZDMGC-YMTOWFKASA-N 414.492 0.539 30 20 HCED CC(C)=CC(=O)NCc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1515098572 CBPWKDSUNMOMCW-KRWDZBQOSA-N 417.487 0.848 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1614071382 KTAIUQRIWOMKKQ-CQSZACIVSA-N 417.420 0.913 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1621644517 PEUOXGJEPWKGLM-UHFFFAOYSA-N 403.439 0.843 30 20 HCED CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CC[C@](O)(CC#N)C3)ccc21 1654659166 XDTBGBQRQGPUKZ-HXUWFJFHSA-N 414.466 0.834 30 20 HCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)C1 1696876369 JCCHIDNUHGZNEP-LJQANCHMSA-N 418.523 0.364 30 20 HCED Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1707613204 KWVZCZYFRYYVAL-NVXWUHKLSA-N 416.507 0.855 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1722864648 UQWVWBJJWWALPK-ZDUSSCGKSA-N 420.499 0.413 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1723780808 VIAITCDYNPSOPK-HIFRSBDPSA-N 422.515 0.131 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1761364915 YDYYRRPXNGBNQD-HZPDHXFCSA-N 410.544 0.641 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(=O)(=O)CC 1763112313 JHZNGEIVSZMZEM-AWEZNQCLSA-N 418.527 0.652 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474600 WQVMILXJOJTFOB-OLEQZPESSA-N 424.461 0.031 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100123 SJQVLEUJDOEEJV-ILSLNFBPSA-N 409.483 0.936 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779521296 LULUNNPYLZZUDX-DJJJIMSYSA-N 404.423 0.209 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1780747683 DVKCTEZXSYUXES-VFNWGFHPSA-N 402.447 0.883 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192301 GGAKQCSFLOHQEM-YEJXKQKISA-N 424.461 0.390 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782953660 OTNRAVFYWFRIGN-JKIFEVAISA-N 404.554 0.348 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784511119 SCIIBHBFJUZXKY-UGUYLWEFSA-N 414.524 0.463 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3nnc4ccccc43)[C@H]2C1 1784899692 BILKYEFLDCOLKA-FHIRATQRSA-N 403.508 0.729 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4ccccc34)[C@H]2C1 1787798014 ZIDFLQHKRVVBFM-FNHZYXHNSA-N 407.426 0.916 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[S@@](=O)CC)C[C@@H]21 1788574795 MTJOJGBQODBHOI-MTEZYEGSSA-N 414.568 0.698 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1788631248 GFZUTIPDOJHIGM-FHWLQOOXSA-N 414.506 0.561 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cncn3)[C@H]2C1 1788723955 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COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1C 427307580 HXYBNYYBFAUUAV-UHFFFAOYSA-N 411.527 0.981 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 430392091 IKLILBZVGOPKEQ-WMZOPIPTSA-N 423.535 0.829 30 20 HCED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 438869891 IQWNHJFQRKLOMM-ZDUSSCGKSA-N 405.430 0.843 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CC1 441942488 PQVXTWMMXFSRLG-KFWWJZLASA-N 416.482 0.608 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 442899336 MVMLBQWUYQICAP-UHFFFAOYSA-N 409.425 0.857 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 443101951 FRPJOYFIRYEDRT-NSHDSACASA-N 405.354 0.629 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2ncon2)CCOCC1 461549000 PQVDAXBQLJWIEN-LBPRGKRZSA-N 405.436 0.430 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463608212 BHEPONSQAKQSQP-LFGUQSLTSA-N 408.458 0.759 30 20 HCED O=C1CN(Cc2cccc(NC(=O)C(=O)NCC#Cc3cccc(F)c3)c2)CCN1 463768010 JUUKBYZZHMBBBE-UHFFFAOYSA-N 408.433 0.864 30 20 HCED COc1ccc(C(=O)NCCN2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 469714254 VWIKKVUOVHSONA-KRWDZBQOSA-N 413.522 0.994 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)c1 470395942 BIGHFDUVZYMASS-WBVHZDCISA-N 412.508 0.637 30 20 HCED COc1c(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)nn1C 480127065 ODAZBXLIICMVAU-KRWDZBQOSA-N 424.461 0.537 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 482755824 VHRVUFFJFRSSEM-UHFFFAOYSA-N 416.406 0.638 30 20 HCED CCS(=O)(=O)N(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 486736824 JFNCEOCQQANROK-UHFFFAOYSA-N 422.486 0.796 30 20 HCED CN(CC(=O)N1C[C@@H](C(N)=O)Cc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 487072893 JKVVWVLWDODUSP-INIZCTEOSA-N 412.471 0.870 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C(N)=O)Cc4ccccc43)CC2)o1 488436712 TYLJSRIKLZNQSO-MRXNPFEDSA-N 408.462 0.668 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)ccc1OCC(F)(F)F 505251900 SGLBSIJKLRTKAU-UHFFFAOYSA-N 424.339 0.707 30 20 HCED N#CCCN(CCC#N)C(=O)CNc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 506217105 IKRKBPDDWFYZNO-KRWDZBQOSA-N 419.507 0.900 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 506959430 BIMQLVRWVVTYKD-QWHCGFSZSA-N 421.479 0.610 30 20 HCED CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)NCC(=O)NCC#N)c2ccc(Cl)cc21 509016214 MUQMNQQVPSJPCZ-LLVKDONJSA-N 405.842 0.004 30 20 HCED N#Cc1ccc(CN2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 514717588 BTUXQKKQVCKQRP-UHFFFAOYSA-N 413.503 0.962 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccccc3C[C@@H]2c2nnc(C)o2)C1=O 524110992 MHWZYOZMOZFZOV-OAHLLOKOSA-N 409.402 0.981 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 524601525 QBEQWJKIQNCRON-OAHLLOKOSA-N 414.505 0.197 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 533222899 LECYHJRABCIDHN-GSVIPDFHSA-N 419.570 0.782 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCO)CCOCC(F)(F)F 533806250 SLZCROHNEDVEKL-LBPRGKRZSA-N 423.413 0.625 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 536992587 NPHDTHJYMAMUGJ-UHFFFAOYSA-N 411.384 0.924 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 537486970 PRJYNGKBVASAGH-UHFFFAOYSA-N 415.494 0.858 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCN(C)C3CCN(C)CC3)CC2)o1 539220685 DTSWCODHIRMTAN-UHFFFAOYSA-N 417.558 0.461 30 20 HCED COc1ncncc1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 542086565 ZANTYNOCYSCFFO-UHFFFAOYSA-N 423.389 0.892 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 542106906 YIKUSRVMBLYOCN-CQSZACIVSA-N 401.354 0.222 30 20 HCED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549289920 BEXKMOVPPBRMRY-UHFFFAOYSA-N 416.530 0.909 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 553012055 PXTNDQSGUMFZOQ-HNNXBMFYSA-N 422.551 0.881 30 20 HCED CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 555426235 VGKQYNBWIPKVIK-UHFFFAOYSA-N 417.535 0.580 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 561979367 CSOQAJUXPZEWMP-HNNXBMFYSA-N 404.467 0.075 30 20 HCED C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 565376747 YNRNGHAXRSVNHZ-MBOZVWFJSA-N 415.538 0.931 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)c(F)c1 567801840 XGIZVFVCMHPDCD-TUVASFSCSA-N 403.366 0.587 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)cc1C(F)(F)F 569126285 FOMTUIKKXBUOFA-UHFFFAOYSA-N 412.411 0.795 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 579164954 YSXXQILCFLMZJP-QGZVFWFLSA-N 422.493 0.121 30 20 HCED C=C(C)Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 579857320 RGBJFOMWAXMXOB-UHFFFAOYSA-N 403.487 1.448 30 20 HCED CCC[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)S(N)(=O)=O 590421038 UKIVSBCPVHENOT-MRXNPFEDSA-N 404.496 0.832 30 20 HCED CC(C)(C)C(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 601908368 UGFQZNGCHOTYAL-UHFFFAOYSA-N 406.508 0.944 30 20 HCED CN1CCC(C#N)(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 603886103 RIJGBZVLTGBZJY-INIZCTEOSA-N 406.508 0.862 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606029278 FYQKPUXBTIFUEG-UHFFFAOYSA-N 412.471 0.524 30 20 HCED COC(=O)C1CCN(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 608981297 GOVLTYRAJSQCPG-UHFFFAOYSA-N 407.496 0.641 30 20 HCED COCCCS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 610899336 VGRVMAHVPPBJSM-GOSISDBHSA-N 411.524 0.476 30 20 HCED C=CCN(C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 678889597 HDKQWQMSYCHCJJ-OAHLLOKOSA-N 408.480 0.499 30 20 HCED C=CCN(CC=C)C(=O)COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727222821 MBCLXWKEIHNVDL-UHFFFAOYSA-N 424.255 0.636 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 729256907 MBAINJVUQSXXRI-KRWDZBQOSA-N 412.490 0.332 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 729257635 KPMSSMSIZPNGMK-FQEVSTJZSA-N 424.501 0.591 30 20 HCED C#CCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 742213105 CJCYTSPYNAHMJO-XAIYEJPOSA-N 422.532 0.684 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 742392364 JMQVDZVJAIOWDP-UHFFFAOYSA-N 421.504 0.180 30 20 HCED CCN(CCCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743995015 JSSNXCBYDLNDBY-CAPFRKAQSA-N 410.496 0.669 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C 745740851 WPMPTRKJAKOVTR-UHFFFAOYSA-N 406.439 0.158 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 746559006 DSGODSBGCSCWMC-UHFFFAOYSA-N 411.439 0.943 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCC2(N3CCOCC3)CCCCC2)CC1 747816786 WSXDPSGQDUDZAS-UHFFFAOYSA-N 404.555 0.599 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CCCN(CC#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 748320297 AOOQBMWGSYPUBL-CABCVRRESA-N 403.508 0.855 30 20 HCED C=CCN(CC=C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 748550005 CULUHNIDQNDJSM-UHFFFAOYSA-N 424.523 0.873 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCO[C@H](C)C2)cc1C#N 752398714 MBYLZVNEVUTGLF-CYBMUJFWSA-N 403.439 0.902 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CCN(C)C1 762722507 RBASRYFEIHABKQ-HNAYVOBHSA-N 408.524 0.323 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1Cc1ccon1 765144927 MJYYBAFPZHVBDF-UHFFFAOYSA-N 419.401 0.693 30 20 HCED C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCCO1 775322673 FKDDCAQBMSLRAZ-CVEARBPZSA-N 408.476 0.813 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNC(=O)N(C)C 775808751 KFWSIQLQOWPUQY-OAHLLOKOSA-N 423.539 0.869 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCCc2c(C)nc3nc[nH]n3c2=O)c1 777361069 WYEQLZPXCCRPJG-UHFFFAOYSA-N 417.447 0.590 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)C2CCC2)cc1 786003757 PBBDMSXZIZSDFE-HEHNFIMWSA-N 422.507 0.811 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)nc1 788319554 LUSGDLDDOFVFSN-UHFFFAOYSA-N 408.462 0.634 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccccc1N1CCOCC1)c1cc[nH]n1 789964676 ZNOCEUZENSHXFT-UHFFFAOYSA-N 415.450 0.847 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1 792259979 LISHQSGNHOWWSL-UHFFFAOYSA-N 406.819 0.921 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 795335507 XUQJXUZZDOJHIO-UHFFFAOYSA-N 412.427 0.568 30 20 HCED CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)C(=O)Nc1cnn(CC#N)c1 807314192 ZLZFXWIWAXDKJH-UHFFFAOYSA-N 409.494 0.621 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc3c(cc2Br)OCCO3)n1 807367319 QTKOHROZVYCWKY-UHFFFAOYSA-N 421.211 0.438 30 20 HCED C=C(Br)CNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807781574 JDQBQOHZTBQZIB-UHFFFAOYSA-N 422.223 0.441 30 20 HCED C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)S1(=O)=O 812373961 MSNLDFYBGWRTNO-UPJWGTAASA-N 413.521 0.538 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nncn1C 813697314 ZGELYRPBSTZQME-AWEZNQCLSA-N 404.496 0.927 30 20 HCED Cn1nc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)c2ccccc2c1=O 816130792 ZQLHNGFARQLIDB-UHFFFAOYSA-N 413.371 0.832 30 20 HCED C#CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 816672290 VPYPRNVXZUKPBB-AWEZNQCLSA-N 406.508 0.740 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(C=O)CC1 819436602 QVNBCLTZRHBNIS-MRXNPFEDSA-N 406.508 0.831 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCOC 916200837 RNTVOXAIWCPINX-UHFFFAOYSA-N 421.544 0.664 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1C(=O)CCC1=O 916440807 UTHXIRKPLQKETD-BMOWLENRSA-N 406.464 0.975 30 20 HCED CN1CC[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 916996790 AKHWZXDCZNORMR-GHMZBOCLSA-N 402.363 0.882 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(O)n(C)c1=O 1003089278 JNFDOBRGWWHVTO-CQOGHXNDSA-N 402.451 0.329 30 20 HCED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1C 1150254413 PLLQDUONTUCSSO-IAGOWNOFSA-N 402.476 0.968 30 20 HCED C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC12CCOCC2 1186425478 TVOCAXYGPYGMIU-UQZKUAJDSA-N 401.507 0.004 30 20 HCED COc1ccc(C=NNC(=S)NCCCN2CCOCC2)cc1OCC(N)=O 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CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1C#N 442135360 QMUMNONELXWXGA-RBZFPXEDSA-N 413.434 0.778 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)n2)c(F)c1 442378093 HZBGSGVIUVCDCR-GOEBONIOSA-N 424.436 1.339 30 20 HCED Cc1ccc(C(=O)NCCN2CCN(C)C(C)(C)C2)cc1S(=O)(=O)NCC#N 442965913 NJYOSHIAMLRVRB-UHFFFAOYSA-N 407.540 0.553 30 20 HCED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444511096 TXOUNEPVIYUCIY-CALCHBBNSA-N 401.515 0.752 30 20 HCED Cc1cccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1C#N 446521832 IQQSWXQVFRJRSP-LSDHHAIUSA-N 405.476 1.000 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)c1 447158145 VWVPQOYCLOYELY-UHFFFAOYSA-N 407.902 0.656 30 20 HCED COCCN(C(=O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 447915929 NTINNTUACYSZSA-YQVWRLOYSA-N 413.540 0.576 30 20 HCED N#C[C@@H]1COCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 461641893 KRAUZWLGJOFWGR-MRXNPFEDSA-N 420.491 0.051 30 20 HCED CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)nc1 462693028 SGBDGYIUDJORPC-OAHLLOKOSA-N 400.526 0.473 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)n2)c(Cl)c1 469634941 WXJBBCUMTJHVFA-LJQANCHMSA-N 415.837 1.354 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2CN(CCC#N)CCN2CCOCC2)cc1 471222978 BIUYPZRNNKFQIY-UHFFFAOYSA-N 419.511 0.114 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccsc1 479358472 JEYGSXVWXYZOHX-UHFFFAOYSA-N 418.525 0.683 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480961420 VOEPIMFEFPBTLF-UHFFFAOYSA-N 423.454 0.686 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 487753257 LPGLPCVHXMAINO-JKSUJKDBSA-N 401.529 0.500 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265827 OGJDRVHQMGEZDJ-QGZVFWFLSA-N 419.507 0.336 30 20 HCED CCN(CC#N)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 492126564 JTCMFQDUNUQKFV-UHFFFAOYSA-N 404.448 0.947 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H]3CCC[C@H]32)CC1 507721173 AGXOLUPZGVMCSW-QZTJIDSGSA-N 418.519 0.644 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508707907 YDHCAIDDHAJQBP-QGZVFWFLSA-N 406.531 0.933 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 515548014 BLIRSGJBTALWED-KURKYZTESA-N 414.572 0.547 30 20 HCED N#Cc1ccc(OCC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 518416560 QSVHLOLLXWKGQS-GOSISDBHSA-N 421.519 0.675 30 20 HCED COC[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 525617449 MFEKCURBFDTXPH-KRWDZBQOSA-N 407.492 0.833 30 20 HCED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)nn1CCC#N 525885386 UOUCOTWMFPGRJD-QGZVFWFLSA-N 403.531 0.918 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCCN(c3nc(C)ns3)CC2)n(CCC#N)n1 532601488 UCTNOWGQKBWCCE-UHFFFAOYSA-N 402.484 0.943 30 20 HCED COc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 543106225 PBSLESALAXFUMA-UHFFFAOYSA-N 422.488 0.657 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 550553267 WAQYZOGJLNKTHK-QGZVFWFLSA-N 407.430 0.495 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 554308892 IQPMZYUSHWIABP-KRWDZBQOSA-N 421.519 0.894 30 20 HCED CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 555061429 QTJBKWNUBKAFJP-UHFFFAOYSA-N 422.453 0.084 30 20 HCED N#Cc1cc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)ccc1C(F)(F)F 558581081 XYIINMSRVFQHQB-JTQLQIEISA-N 405.354 0.788 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C(=O)OC)C1=O 559234229 KBUQOCUHEGWLNK-UHFFFAOYSA-N 401.419 0.944 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CN(Cc3ccccc3)CCCO2)c1=O 566647814 ORTMCAXAPGQYGR-IBGZPJMESA-N 412.490 0.835 30 20 HCED CN(CC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 579538289 HBBIOCOJDUAVLW-GJYPPUQNSA-N 420.491 0.121 30 20 HCED CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1c1ncc[nH]1 580655260 CFQQUDTWVQGCHW-INIZCTEOSA-N 402.480 0.465 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@]2(CCO)CCOC2)n1 582807123 VPZOOKHPNDOUKD-IBGZPJMESA-N 417.853 1.241 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1Oc1ccccc1 588127308 BTUXXTVPTMAGDN-QRVBRYPASA-N 400.479 0.832 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(CCN2CCOCC2)[C@H]2CCSC2)cc1 590554398 BISCRJWRAGJCFW-SFHVURJKSA-N 402.520 0.954 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCCN(C)CC1 610807462 SGTYCZWGDWMTGI-MRXNPFEDSA-N 407.540 0.369 30 20 HCED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 612272885 YFOLQTGQNTYEEX-IBGZPJMESA-N 420.491 0.798 30 20 HCED CCOC[C@H](O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 613161679 BJGHHJMSFQWJBZ-QGZVFWFLSA-N 413.482 0.994 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@@H](C)CN2CCCC2=O)cn1 726112383 OINHADRBDDBTAT-GXTWGEPZSA-N 406.512 0.982 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(OCC)c(OCC)c2)CC1 728573786 ZDPFLTTXPWMGTB-UHFFFAOYSA-N 402.495 0.790 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 729947420 ZSEIVHVZBDUXES-SFHVURJKSA-N 402.363 0.672 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@H](C)COC)n(C3CC3)c2=O)cn1 732563323 UVVIQXFTYCSUFH-GFCCVEGCSA-N 401.492 0.115 30 20 HCED C#CCNC(=O)CN1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 733895892 PBGLYAYZCAHLTC-UHFFFAOYSA-N 424.461 0.821 30 20 HCED C#C[C@H](CC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 753263046 DCKRIASBSKWRJP-CYBMUJFWSA-N 406.464 0.445 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 761030213 FCYDJJNWJJHGFX-OAHLLOKOSA-N 422.507 0.194 30 20 HCED CN(C)CCOc1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccn1 762726430 POCUCOAEILSZAE-UHFFFAOYSA-N 417.491 0.377 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 763719706 ZBWSTRYQJUQYPA-RTBURBONSA-N 405.520 0.971 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N(CC#N)c2ccccc2)c1 764025394 KRIXQMSJOHYACY-UHFFFAOYSA-N 420.447 0.653 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)c1 764027419 CMNBNWMKBPLTQE-UHFFFAOYSA-N 424.435 0.816 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC2CC(O)C2)c1 764682189 HNMBQPLESLINKS-OQKWZONESA-N 422.507 0.715 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)c1 772792753 LSWQIQUCZUQNCG-DOTOQJQBSA-N 410.492 0.084 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1C(=O)OCC 784870859 JNPOABQYSOMVRQ-UHFFFAOYSA-N 402.403 0.923 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1=O 785654382 PWYQHHONMORNNE-BBRMVZONSA-N 412.450 0.683 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)nc1 788010702 PMSNWJUPWCZPPR-UHFFFAOYSA-N 421.505 0.420 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)cn1 791178866 QIWNCQPLPSZWED-LJQANCHMSA-N 421.436 0.861 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)n1 793902779 SILBJFVNZUIERS-MSOLQXFVSA-N 403.527 0.728 30 20 HCED CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1 794442992 XAXMZJIAKAVUET-WVCJAJDESA-N 401.496 0.872 30 20 HCED C=CCN1CC[C@H](OC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1=O 798608883 AREKZNDCPBUDCG-VIFPVBQESA-N 410.228 0.223 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(C#N)cn2)c1 808306204 QARGCWXXHUFDPG-UHFFFAOYSA-N 402.436 0.299 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1COC2(CCCCCC2)O1 809675553 QRWYPXNJXWFHGW-CQSZACIVSA-N 418.498 0.837 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2nc(C(F)(F)F)n[nH]2)n1 810387997 NJSFZXHLADPWGG-UHFFFAOYSA-N 405.300 0.531 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1=O 913608926 LFPDGLZNOQBZMY-SNVBAGLBSA-N 415.475 0.825 30 20 HCED C#Cc1cccc(NC(=O)CN(C)CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c1 917065862 UQQWQPORKYYIPZ-GOSISDBHSA-N 421.519 0.200 30 20 HCED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1000525657 ZXXWMVSQXPMTGZ-LFDJNIOPSA-N 400.523 0.481 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)NCc1c(OC)cc(OC)cc1OC 1116284598 RUOCJCTUXSFSHO-UHFFFAOYSA-N 410.452 0.580 30 20 HCED CC(C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1288191434 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HCED C[C@@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831838564 CGFRPFOXSVJDJE-TZMCWYRMSA-N 407.473 0.649 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1831894265 YREAONGZYALXQL-QFIPXVFZSA-N 415.490 0.649 30 20 HCED CN(C)c1cncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1833361165 LGYXTIKJZIJTPI-HXUWFJFHSA-N 401.467 0.521 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833384626 AFBORXPPDUTFDY-INIZCTEOSA-N 422.526 0.601 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1scnc1C1CC1)CCO2 1833732389 YBYPPWNJZGOFER-IBGZPJMESA-N 419.459 0.179 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)n1 1834249835 ZIDBLYAQOAGSGV-JOCHJYFZSA-N 423.473 0.870 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3scnc3C)CCO2)C1 1834262709 COTPQOFPSOOTJP-HNAYVOBHSA-N 407.492 0.560 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834531496 BUJJTKXIXSEXGA-FOIQADDNSA-N 404.467 0.767 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1834736343 MLYPVHPOCVQNTB-MAUKXSAKSA-N 407.559 0.363 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4nnc5ccccc54)C3)C2)CC1 1835338438 IEUYFZNUFMZAAX-NRFANRHFSA-N 424.461 0.191 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352406 YDCMOFFMEKNOPK-MGPUTAFESA-N 424.498 0.660 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835357195 KCYAEJXGRKFCLN-SFHVURJKSA-N 405.480 0.789 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4ccnc34)CCO2)C1 1836995270 JXBBCJIOEFJBPY-OAQYLSRUSA-N 411.462 0.954 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C\C(=O)NC4CC4)CCO3)C2)C1 1837247018 KYBCSLWXXUEEOH-OLEQZPESSA-N 403.479 0.244 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1837396988 LMGNBAWIXHVHJY-GCJKJVERSA-N 417.506 0.654 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(F)n4)C3)C2)c1 1838737896 DWOYOBUHFCELCC-FQEVSTJZSA-N 413.409 0.804 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185966 UBYUIRRAXVQUBE-WIYYLYMNSA-N 419.453 0.467 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208511 SUWDIWMAWRVROJ-FZMZJTMJSA-N 407.330 0.689 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839226832 FIRQOVIURLPJIS-HNAYVOBHSA-N 405.455 0.348 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1)C(F)(F)F 1839893559 AXSNEDAPOWXNBM-MRXNPFEDSA-N 416.356 0.371 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1840160377 GECXIZXGARBOMZ-XOBRGWDASA-N 418.519 0.962 30 20 HCED C[C@H](Cc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840301213 HOFJAVJXSDFWRH-VGOFRKELSA-N 414.458 0.410 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C(C)=C/CC)CCO2 1840628682 WFVHVZKTTMRXAS-WEFDXFNFSA-N 405.495 0.658 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840812521 VTDHUWIDTQVPTD-NRFANRHFSA-N 414.462 0.854 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCc1nnc(C)s1)C2 1841054199 YDOGUGDRRIMEIY-ALCCZGGFSA-N 403.508 0.841 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844205462 DHIUYHQLXQFWNC-PLNGDYQASA-N 403.357 0.154 30 20 HCED CC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)n[nH]1 1844299538 BTQGIGGNXDNDAQ-YEWRBRKMSA-N 403.439 0.958 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845109233 LNURDAWQEIHYKV-HOTGVXAUSA-N 405.495 0.831 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847262285 MIBLPRKASQOENI-MHTDSWRFSA-N 404.467 0.576 30 20 HCED COCCOCCOCCOCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747957 ZSWGOINOIZQZQF-PMACEKPBSA-N 422.522 0.688 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC 18752726 DKYOLQZHKQOXLT-HXUWFJFHSA-N 414.418 0.540 30 20 HCED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 19041349 UEGMZUNATJEYPM-UHFFFAOYSA-N 422.459 0.151 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 24369301 HFJOLKVDSJIVTG-GFCCVEGCSA-N 416.450 0.671 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(F)(F)F)cc1 41416835 POHNBLVZWQAFGY-GFCCVEGCSA-N 409.386 0.471 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N(CCO)Cc3cccc(F)c3)n2)cc1 426523960 NNZSCRSULHVNRF-UHFFFAOYSA-N 422.420 1.297 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434990762 KIXNSNCIMOAQTR-GXTWGEPZSA-N 424.479 0.509 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)C1=O 440280593 IRHCGWDEVBUYPL-CQSZACIVSA-N 419.434 0.674 30 20 HCED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 441357767 UGYHMRQIORXVPN-GOSISDBHSA-N 419.825 0.766 30 20 HCED CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1C 443368586 DRUBHUYJYCCFMI-CRAIPNDOSA-N 409.494 1.468 30 20 HCED Cc1nc(=NS(=O)(=O)c2cccc(-c3nnnn3C)c2)n(-c2ccc(C#N)cc2)[nH]1 443425700 YORJSXUDFRLBHB-UHFFFAOYSA-N 421.446 0.861 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)nn1CCC#N 446047938 REKSHPUIVMIDGN-UHFFFAOYSA-N 420.424 0.980 30 20 HCED Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460612903 ZOPVJZKOGLSLFQ-UHFFFAOYSA-N 417.429 0.932 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 460929246 LKOYZXVHMZXJED-UHFFFAOYSA-N 407.473 0.918 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)n(C)n1 464129367 JDNIYDWEIOTOIM-INIZCTEOSA-N 415.475 0.437 30 20 HCED CCOC(=O)[C@@H](COC)N(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC1 472303655 TUZMSDJZFUJJJJ-QGZVFWFLSA-N 423.491 0.748 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 482186557 UYIUJKBBSJJJDV-MLGOLLRUSA-N 419.484 0.870 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(-c2ccc(F)cc2)c1=O 489018525 VAXQCBXYGDBTNW-CYBMUJFWSA-N 424.457 0.880 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C(F)(F)F)c2)c1=O 489124757 DHXRAVXBGDXHGF-UHFFFAOYSA-N 423.416 0.827 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1C(N)=O 497773480 HBDAZLZFJWITTO-UHFFFAOYSA-N 401.448 0.572 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 499074430 KEDHQSDQPJMFOA-UHFFFAOYSA-N 412.487 0.781 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 499340184 BOUJLCNRRJTRBM-BQFCYCMXSA-N 409.556 0.787 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503874665 QUYBOOFDHNIAHI-QGZVFWFLSA-N 420.491 0.773 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)Cc3ccccc3)C2)CC1 505684017 UFWIOPIIRPTONT-IBGZPJMESA-N 413.522 0.459 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(CCOC)C(=O)C1 508467514 YIHRIDSNYUMOQU-UHFFFAOYSA-N 419.507 0.830 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 511717953 CLKVIZMPSSTNQJ-DTDBQYNISA-N 409.377 0.984 30 20 HCED CN(C(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC1 522787332 ZXVVGBKTTPZZIG-MRXNPFEDSA-N 422.532 0.701 30 20 HCED N#CCCN(C(=O)CCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1)c1ccccc1 523529489 WECDYSKCEJFPGF-MRXNPFEDSA-N 421.523 0.745 30 20 HCED N#Cc1ccc(NC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 532582352 VMRWANFSBNSVGX-UHFFFAOYSA-N 407.478 0.946 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O 541411404 IJUMKTUVJRYMMZ-AWEZNQCLSA-N 402.407 0.174 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 543620235 YATRCDWVDODBHA-OAHLLOKOSA-N 401.510 0.344 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543986856 BVPUXMKPKDHKRW-OAHLLOKOSA-N 424.461 0.936 30 20 HCED CS(=O)(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 551230381 YQZDAMBRYNRFRD-LBPRGKRZSA-N 419.438 0.715 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)nc1 553243204 KISGQLOPFZDBLW-HNNXBMFYSA-N 414.443 0.506 30 20 HCED CCCCNC(=O)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 558510057 PCXQRDXTDWJOAH-INIZCTEOSA-N 406.508 0.991 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1)CC(F)(F)F 561004909 BIDZCWNYASEFIV-UHFFFAOYSA-N 410.334 0.641 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 562496378 ZVFWNLQTMUCAOV-UHFFFAOYSA-N 402.432 0.778 30 20 HCED Cc1cc(NC(=O)C2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)no1 573041451 NVZFUPJWDURUNL-UHFFFAOYSA-N 403.464 1.374 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)cc(C(=O)N(C)C)c2OC)C1=O 581376557 MBKMATYPTSVBLM-UHFFFAOYSA-N 422.825 0.966 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCn3cnc(C#N)n3)C2)s1 583210591 DHGVQQGQWHLIQM-CYBMUJFWSA-N 408.509 0.737 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cnn(CC(F)(F)F)c2)c1 583352916 SDVVURNOYBZNBB-UHFFFAOYSA-N 401.370 0.912 30 20 HCED Cc1c(I)cn(CC(=O)NC[C@H]2CCCO2)c(=O)c1C#N 584320348 ORONUWYGCPFQRS-SNVBAGLBSA-N 401.204 0.928 30 20 HCED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727009049 ZXQHTJJPTKIIOV-ZDUSSCGKSA-N 401.419 0.631 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 729788422 NBFPQQVBSNYRTA-UHFFFAOYSA-N 414.462 0.128 30 20 HCED 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0.396 30 20 HCED NC[C@H](N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=C/C(=O)c1cccs1)CC2 1817066670 HOJFFJFMSDIZCM-PVTPVBHGSA-N 419.532 0.842 30 20 HCED CN(C)C(=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819774022 GACFVQYPAVTIRU-ZGXHQARYSA-N 406.512 0.615 30 20 HCED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1826051095 NPZRWUKMPSFESN-SNVBAGLBSA-N 400.464 0.885 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1829996556 RNZGFJXYKBAKFF-AVRDEDQJSA-N 423.554 0.766 30 20 HCED COc1ccc(OCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1830242393 HGMUIJAGSDELLF-YWZLYKJASA-N 424.519 0.849 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1831401855 HGWLSHATSLCAJY-QRXRQMIZSA-N 406.504 0.356 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831410389 ACUKGEQYDMRBEC-NRFANRHFSA-N 416.478 0.939 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1C 1831486417 XHXRJWSMGTWUIK-LPHOPBHVSA-N 410.540 0.753 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(F)cc1F)CCO2 1831957112 OZXVRNYIHYXDIC-FQEVSTJZSA-N 405.401 0.843 30 20 HCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)s1 1833023369 OLQIPEGSLZPTEM-YVEFUNNKSA-N 414.553 0.554 30 20 HCED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1834634496 VNALUGSUVBMQAA-UHFFFAOYSA-N 400.483 0.160 30 20 HCED C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834657899 NBTWRIOLPPPHPX-MRXNPFEDSA-N 406.575 0.435 30 20 HCED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835662980 FVTMHRCBDJIHRV-OAQYLSRUSA-N 400.479 0.628 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1837308829 BEBYVUWRJMGWJV-JBYIUTFZSA-N 419.522 0.902 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1837440459 KKUSWYNXZQHKGM-HRYJJRBTSA-N 422.511 0.080 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1837564354 JEHSQNSNZIUZEQ-FAKCTINISA-N 417.462 0.848 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838095121 MPSCRYPSZPGFJO-UZLBHIALSA-N 419.482 0.656 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1838580417 AIXYDEGLNLYIKG-NRFANRHFSA-N 412.446 0.941 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)ccc3O)CCO2)C1 1838891368 SWJGFHBUUSPHDG-VGOFRKELSA-N 416.474 0.809 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)C1 1839101516 OCRHZSCDZQOFFJ-XMSQKQJNSA-N 420.554 0.045 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839222612 SZMFHVYHFBOJHY-UTKZUKDTSA-N 424.542 0.586 30 20 HCED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224668 WWSDUJPGCMKDBC-BEFAXECRSA-N 413.471 0.197 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5ccnn5c4)CCO3)C2)CC1 1839569735 XFDIPLIQEGLKNZ-OAQYLSRUSA-N 409.446 0.708 30 20 HCED C/C=C/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839833937 CCAWAZJOWXCEOJ-HVENAHARSA-N 404.511 0.857 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839840405 FHQKKAGBGIEUCZ-KKSFZXQISA-N 419.478 0.678 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840430120 NCMDWSTUWQSMTB-JXFKEZNVSA-N 401.467 0.279 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1840726317 MABXRBKVEOFSRS-HXUWFJFHSA-N 400.435 0.629 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813033 ZYEFPKLDYHRILF-DPZZJQGRSA-N 405.451 0.256 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840872558 XMGLAHKFWDVSAJ-JTDSTZFVSA-N 400.541 0.824 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1841748751 NNVPNEBAIVQJQR-CYBMUJFWSA-N 409.487 0.328 30 20 HCED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3cccc(N4CCCNC(=O)C4)n3)C2)CC1 1842304835 SRLJYEBRHJZNKX-UHFFFAOYSA-N 422.489 0.529 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/C[C@@H]2CCC[C@H]2NS(C)(=O)=O)CC1 304996704 FYVKUEHQEHTRGN-UONOGXRCSA-N 403.549 0.572 30 20 HCED CCNS(=O)(=O)c1ccc(CNS(=O)(=O)N(CCC#N)CCOC)cc1 409494188 CVNIHGBDUKDZSN-UHFFFAOYSA-N 404.514 0.181 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 430373548 ITSPBGKJYXMZSS-HKUYNNGSSA-N 406.527 0.241 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@](C)(C#N)COC)c1 433965117 AHPKECVHCBJTCT-GOSISDBHSA-N 410.496 0.492 30 20 HCED COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 438249895 XJFHMSAYUQKQNK-AWEZNQCLSA-N 411.361 0.871 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C 439449766 IXJPEWOQXRGODV-QGZVFWFLSA-N 407.492 0.822 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 445612185 GPXMPILXIUCYHN-UHFFFAOYSA-N 411.466 0.030 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)on2)c1 448095758 YFVSDJFNXXWHHN-SJORKVTESA-N 416.459 0.129 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C 460715858 CHPACBATHGJAFT-HUUCEWRRSA-N 423.477 1.292 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 464851095 JGQWTUGVZDCFIZ-HNNXBMFYSA-N 423.477 0.039 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 469203202 KJLGSZPFDKIVIA-CQSZACIVSA-N 406.450 0.030 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 470489018 BGLYOFJIGOJAFT-AWEZNQCLSA-N 404.414 0.963 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)o1 473308653 ZFVRCAUYWUXOOB-UHFFFAOYSA-N 424.509 0.800 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 473772974 AWZLQURQICETTR-GOSISDBHSA-N 422.489 0.950 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cnn(C)c2)CC1 482503772 FNFIYOOYOMHWEG-CQSZACIVSA-N 402.480 0.307 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2OCC2CC2)CC1 483888426 YPCHWKXVKMCDLL-UHFFFAOYSA-N 418.469 0.999 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3C(=O)[C@@H]4CS(=O)(=O)CCN4C3=O)C2)c(F)c1 484443487 HAYIQUIDSJMZNC-BBRMVZONSA-N 406.439 0.727 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)OCC)c2)CC1 491226741 XXTIRSNOJFSYDR-UHFFFAOYSA-N 402.451 0.248 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(C)o1 495845042 KBXHHWGMCIFZDS-INIZCTEOSA-N 414.466 0.654 30 20 HCED C=CCn1c(CCCc2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508906644 HMSNQOVMRHUJHY-CQSZACIVSA-N 400.508 0.848 30 20 HCED COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509198159 SUHJVXNZINUBHT-OAHLLOKOSA-N 409.512 0.730 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 511325092 KLHOVWWCRBPARF-YPMHNXCESA-N 416.481 0.853 30 20 HCED C[C@H](NC(=O)CN1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCCCC1 513665653 GPQREMRKDHVKHK-WJONJSRFSA-N 409.490 0.849 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cscn3)c2=O)CC1 517984117 MNQIXYMGJWDZLK-UHFFFAOYSA-N 415.544 0.415 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CCCC#N)CC1 522630042 UZAPSRKMMZXUQF-UHFFFAOYSA-N 400.526 0.346 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 523188561 XCAXWXKWXGLBSG-UHFFFAOYSA-N 406.443 0.280 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(C)cc2C)c1=O 532799877 XPEYJKRRPNRPAC-UHFFFAOYSA-N 407.499 0.981 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 538348830 XSPHABGDYXWDMJ-MSOLQXFVSA-N 423.514 0.158 30 20 HCED COCCCNC(=O)CN(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 539461962 UHTZQMZQVWTEGM-MRXNPFEDSA-N 407.540 0.541 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1 543932022 PUQRXTMPPNBRSY-UHFFFAOYSA-N 409.450 0.807 30 20 HCED CC1(CO)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 546589573 ZJRSHQCKDKZWJL-UHFFFAOYSA-N 420.535 0.486 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)C2)nc1 551065128 SXFYKSYYNCLZGM-QGZVFWFLSA-N 417.429 1.211 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(S(C)(=O)=O)CCCC1 553571824 ZTJJQJKQQZSGNW-ZDUSSCGKSA-N 413.521 0.699 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)C2=O)cc1 554692035 OUXPGFTZBYCUEF-XVPOXYMYSA-N 408.458 0.398 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]3C(=O)N3CCN(C)CC3)CC2)o1 555255169 DWJIJEBLGANCRU-GOSISDBHSA-N 414.510 0.836 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1 557147123 ZUVBLAJDVSZJNT-OAHLLOKOSA-N 419.425 0.852 30 20 HCED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 557493747 QSKWTASNQHPISM-HXUWFJFHSA-N 413.522 0.429 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1C(N)=O 558484249 VTSBWQPQIPDIIZ-UHFFFAOYSA-N 421.504 0.942 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 558741118 CDMSAOMVESVAPP-JTQLQIEISA-N 423.903 0.219 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 560051567 MOICZASKTKKYJX-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CCOC1CC(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 561924304 OZHKLDARTFJMLJ-UHFFFAOYSA-N 420.535 0.890 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 562022305 JQYWRZQVPSCSTB-HNNXBMFYSA-N 411.528 0.730 30 20 HCED CC(C)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1=O 575017700 CENRRIYRIBJPCR-UHFFFAOYSA-N 414.853 1.415 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)C1=O 576506553 UZFFBNJOBPBQEB-XWSJACJDSA-N 415.490 0.973 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2snc(C)c2C#N)CC1 577253683 RQOJNUFMMIDRJR-CHWSQXEVSA-N 422.511 0.611 30 20 HCED Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)nc1 588127537 KUVFKYBSEPWCRQ-MRXNPFEDSA-N 412.494 0.671 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 588884606 NZVIJCMJZDGNLQ-GDBMZVCRSA-N 404.442 0.656 30 20 HCED Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589488326 ZPFDAPYOLKGRPG-IBGZPJMESA-N 412.471 0.845 30 20 HCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 590041879 QCJDYNGBJNCSEJ-SWLSCSKDSA-N 419.463 0.905 30 20 HCED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 604142072 FHBJZYQAWKKBSY-UHFFFAOYSA-N 401.467 0.588 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)NS(C)(=O)=O 606078237 NXCGOAQJOKYNGO-UHFFFAOYSA-N 414.487 0.864 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Nc2nn(C)cc2C#N)CC1 610563023 OVUVNPTWUDRSEA-UHFFFAOYSA-N 417.495 0.550 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnc4c(c3)COCC4)CC2)c1C#N 616004213 QNZMCDQLFWXZJB-UHFFFAOYSA-N 409.450 0.355 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCN2C1=O 617056951 NBFDBIJSWRIPTJ-IAGOWNOFSA-N 424.461 0.337 30 20 HCED N#CCc1cccc(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 619493269 TZZKCZITSRKMLC-CYBMUJFWSA-N 400.503 0.927 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 619709903 FOKOLXIHYOCLKU-KBPBESRZSA-N 418.397 0.869 30 20 HCED O=C(CNC(=O)c1cccs1)NCC#CCNC(=O)CNC(=O)c1cccs1 680369600 PHEGXCRXUBRPDM-UHFFFAOYSA-N 418.500 0.205 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1 728532420 ZHMGOBRDHOGPNI-UHFFFAOYSA-N 420.469 0.876 30 20 HCED COCCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 729971563 XWCLUHVFVTWNIY-AWEZNQCLSA-N 423.491 0.653 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCNC(=O)c2ccc(C)cc2O)CC1 733365196 ZOFBRIFVIVJXRL-UHFFFAOYSA-N 400.479 0.104 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cn2)c1=O 733788694 SQVRBZVEWOSZQR-UHFFFAOYSA-N 418.276 0.182 30 20 HCED C[C@@H](CC(=O)OCCn1ncc(C#N)c1N)/N=C1/NS(=O)(=O)c2ccccc21 744112198 SNTXGKCHUAEGBJ-NSHDSACASA-N 402.436 0.397 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 746403314 CXJTYMSZECQWQT-SQFISAMPSA-N 423.842 0.325 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 746790576 ODCCQQFEOWQPAC-UHFFFAOYSA-N 421.417 0.172 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCOCC2)c1 747007815 KMBKUGULVBAFII-SILNSSARSA-N 408.480 0.687 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 747278285 NUWIECLEDMRFET-UHFFFAOYSA-N 420.491 0.089 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 747738096 OYFVSRWVQBWYSD-UHFFFAOYSA-N 400.391 0.308 30 20 HCED C[C@H](CC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1)/N=C1/NS(=O)(=O)c2ccccc21 757000772 JBWAVDXCGRSBLM-KBMXLJTQSA-N 407.492 0.910 30 20 HCED Cc1sc2ncn(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c(=O)c2c1C 760770702 FLQKMUGRVOOMAB-UHFFFAOYSA-N 417.472 0.995 30 20 HCED COC(=O)N[C@@H](C)C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 762038534 PMVXGHIJJXERNZ-WFASDCNBSA-N 403.395 0.697 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)C1 762724929 KHTTUOGMFCSZHP-IBGZPJMESA-N 417.510 0.283 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1 763437521 XUOMXJIGKPBKAO-HNNXBMFYSA-N 422.510 0.892 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)c1 764762857 ONXRPEUVLSMTCY-UHFFFAOYSA-N 417.443 0.951 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)c1ccccc1 767680177 LQAGQGHHKLQUJE-CYBMUJFWSA-N 415.427 0.725 30 20 HCED CC[C@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 767962632 FVXNGZRANNKUOA-LJQANCHMSA-N 404.492 0.997 30 20 HCED O=C(O)CCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cn(CC(=O)O)nn2)cc1 768846964 FBXHAYOWYWESPK-ZZXKWVIFSA-N 408.392 0.012 30 20 HCED Cc1ccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1S(=O)(=O)NCC#N 769583450 VHNFUHWCJUCSMC-AWEZNQCLSA-N 414.509 0.080 30 20 HCED C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)C2=O 771076934 BZIJQHWHHOVJAW-IVWMJMPLSA-N 410.496 0.873 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1 773188679 IHMQWERHINDVKV-UHFFFAOYSA-N 400.479 0.744 30 20 HCED CN(CCCC(=O)NS(=O)(=O)CCCC#N)C1=NS(=O)(=O)c2ccccc21 776123356 ZIZDODPHGOTDSO-UHFFFAOYSA-N 412.493 0.597 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 779480061 BEDFWOOUQCMZBE-DLBZAZTESA-N 404.492 0.765 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 781476688 MLILCWJKDZGIFR-UHFFFAOYSA-N 422.420 0.810 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1 783012709 WZMKMQXJUVGADW-UHFFFAOYSA-N 413.471 0.659 30 20 HCED C#Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2nnn(C)n2)c1 783024471 LCAXNWQSUJYYPX-OAHLLOKOSA-N 409.475 0.992 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 783206596 YCHGGBBIUZOQIT-CYBMUJFWSA-N 403.526 0.898 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 783480500 KAOUPVNKICQCKX-MRXNPFEDSA-N 420.487 0.725 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Cl)cc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 783482349 XNSCMJSDMCIRJM-GFCCVEGCSA-N 412.851 0.714 30 20 HCED CC(C)c1ccnc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787778741 QVLZERJLCLUDHP-UHFFFAOYSA-N 422.493 0.744 30 20 HCED Cn1nccc1COCC(=O)[C@@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 793124210 JZJFDXPBOXXQJU-GFCCVEGCSA-N 415.362 0.964 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC)c1ccncc1 805811859 VNZRSPYNQIEUQJ-WOYTXXSLSA-N 415.446 0.767 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2cnc(Br)n2)cc1 813204000 CKBZBXCDNKVNFN-UHFFFAOYSA-N 413.253 0.809 30 20 HCED CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 815610537 NGDIVFUDSBIBQK-CQSZACIVSA-N 402.455 0.559 30 20 HCED C[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 919549726 UTOXDJYADMIJBY-GXTWGEPZSA-N 410.434 0.595 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1c(C)cc(C)nc1=O 999762025 DGIGDHOSCKDZAY-ZBRFXRBCSA-N 400.479 0.699 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1005094365 AEKBHABFGHROIZ-MTSZKFMLSA-N 403.483 0.120 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ncc(C#N)cc2F)O1 1055198740 ZNXKNBVUFGHXFR-GWFJUFKTSA-N 401.442 0.954 30 20 HCED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1159426380 MFQZVWOABPFWLM-IAQYHMDHSA-N 419.507 0.704 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCCN1CCN(C)CC1 1208297934 UUKPRJGONGPFPR-UHFFFAOYSA-N 407.584 0.889 30 20 HCED N#C[C@H](C(=O)Nc1ccccc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1263375071 FFQMRGINXYIJFS-KBPBESRZSA-N 402.432 0.499 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)F 1303860586 CDIINNGEUVRWTH-JQWIXIFHSA-N 421.449 0.627 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 1319998411 QRMJQJWTEZGRBV-UKRRQHHQSA-N 417.491 0.773 30 20 HCED CN(C)c1nc(N)nc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)n1 1337556338 XTUNEQHCJQZBMH-CQSZACIVSA-N 417.495 0.761 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1340432896 WKYQMOKDRKEFKX-RUWSDDDDSA-N 403.391 0.188 30 20 HCED CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCO1 1514138218 JHIYDMHUAQSWDR-INIZCTEOSA-N 404.496 0.981 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(NC2CCOCC2)CC1 1632945440 NEBVDVQJWNEPBK-UHFFFAOYSA-N 406.508 0.485 30 20 HCED N#Cc1cn(CC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c(=O)nc1O 1637617080 VQCLMOQVOBHUKL-INIZCTEOSA-N 417.853 0.352 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)NCCN2CCC3(C2)OCCO3)CC1 1685332227 RXUVPPYBIASPAA-UHFFFAOYSA-N 403.458 0.978 30 20 HCED CCN(CCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1695746885 YVGRJSRGJMCOLB-HNNXBMFYSA-N 419.511 0.740 30 20 HCED CCCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1728207750 JAZGJUNABQALEX-AWEZNQCLSA-N 408.528 0.836 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1741125366 RCBXTVHKIFHPPQ-AWEZNQCLSA-N 408.528 0.935 30 20 HCED N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2cc[nH]n2)CC1 1750387387 XQKQTXBBNZYABA-UHFFFAOYSA-N 411.470 0.294 30 20 HCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnc2c1 1777994170 NSKLTAQHINYWNL-HSZRJFAPSA-N 420.469 0.860 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1778832824 LGKRMYGWVCZINS-KOIKXXGWSA-N 408.458 0.837 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1778969338 IKSXCQZANZWWSX-PGRDOPGGSA-N 422.570 0.027 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1778970228 YIKDGANPJVEPCQ-HNAYVOBHSA-N 410.902 0.940 30 20 HCED COCC1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1779100425 WDYHCWHXCXWHGG-ODSDJFLOSA-N 409.483 0.772 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134482 HRWKQVXZHFXQGF-XACCNFBGSA-N 404.467 0.443 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)cc1 1780696880 LMNTUPILVAOOQO-NRFANRHFSA-N 412.446 0.844 30 20 HCED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780807577 MFCBKRXFLUAMOX-WRWLIDTKSA-N 410.515 0.827 30 20 HCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COCCO)C3)cc1 1781015000 ZBESGKRPHGKWIO-DENIHFKCSA-N 415.490 0.889 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015474 QGOFIYVOLBHGOE-PJIJBLCYSA-N 410.423 0.150 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1782515693 UKPXUEGOHSMHBH-OAQYLSRUSA-N 411.414 0.103 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](O)Cc4ccccc4)C3)C2)c1 1783341146 UHIMXBXLUCIEKD-UGKGYDQZSA-N 408.458 0.933 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1783887492 ZFLDVCZSILOTGQ-MDOVXXIYSA-N 409.552 0.926 30 20 HCED CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1783958444 JFXANNHJRSHARF-WQCNXYOZSA-N 403.454 0.990 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1O 1791073223 STXVLVKFYHFGIJ-MPGHIAIKSA-N 416.430 0.011 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CC[C@H]4CCC(=O)N4C2)C3)C1 1792441547 WVJLLFPRFCTOEX-OMNJKAEPSA-N 401.507 0.943 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(Cl)n1)C2 1792490359 XSHOQVAQKXIQDG-CYLMYCJOSA-N 419.869 0.192 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795079060 WKHHMYKETAYGCE-IVSAIRAKSA-N 406.483 0.959 30 20 HCED CCN1CCC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)CC1 1795602296 FXFSYDWDPKZTDV-REPLKXPHSA-N 419.570 0.590 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncnc1 1795807199 OAESXWOIYHMCMF-RMRDIRSESA-N 403.483 0.800 30 20 HCED 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0.698 30 20 HCED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834713472 OVDVASHXZVYXEE-PXPVJAHISA-N 406.460 0.532 30 20 HCED CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1834754092 KZDPLQOZZHTLIQ-PGRDOPGGSA-N 414.458 0.725 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835097258 ZUEPQZAAULRBDK-QFIPXVFZSA-N 408.458 0.542 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncsc4[nH]3)C2)C1 1835359911 OMKTUNAMEBWMBP-GOSISDBHSA-N 403.464 0.998 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(C)=O)CC2)CC1 1835717955 SZUJJGQTVMVWMQ-KXBFYZLASA-N 422.570 0.656 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c1 1836199843 FXIIGZINFFQBKU-QFIPXVFZSA-N 423.473 0.833 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1836865035 UNVWKMZSFYSDTQ-INIZCTEOSA-N 405.499 0.868 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837164214 YUPZCZIIPLWFEK-HXUWFJFHSA-N 412.450 0.349 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837393453 RSINNKXWXOXMOB-DYESRHJHSA-N 418.494 0.049 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CO)o2)CCO3)c1 1837969539 KHYGQEOEVRWOCU-FQEVSTJZSA-N 414.418 0.355 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc(F)c4)C3)C2)c1 1838733191 SEDHIHHLCVKTBH-HXUWFJFHSA-N 413.409 0.804 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839223779 ICBLHNJFHWLOLG-UZLBHIALSA-N 421.498 0.599 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839722551 ZFNCEGLLVLBENY-HNAYVOBHSA-N 407.471 0.210 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C2)C1 1839811874 TZPWJCVJEPVBFS-NRFANRHFSA-N 423.510 0.627 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1839888198 WVEAQJKMSKWWSH-QWNKOJSDSA-N 416.421 0.774 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839987782 WQHLWWWPYZEJLR-LJQANCHMSA-N 410.471 0.271 30 20 HCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840157248 JLJVSVOHVLTYPD-LIVBEALHSA-N 424.519 0.503 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840191436 YEDOQAWAXMVGKM-QGZVFWFLSA-N 418.537 0.180 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CN(C)C2)CCO3)c1 1840571613 CVYBJPRRLFDRMO-QFIPXVFZSA-N 412.490 0.498 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc3c(n1)OCCO3)C2 1841054374 RBCWMOOONIFEBF-SREVYHEPSA-N 412.446 0.528 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1)C2 1841582388 SFHLYPNVDBRSHJ-AWEZNQCLSA-N 404.492 0.703 30 20 HCED CC(=O)N1CCC(N2CCC(C(=O)N3CC4(CCCN4C(=O)CC#N)C3)CC2)CC1 1842622759 UINFCBMXNJPVPR-UHFFFAOYSA-N 415.538 0.826 30 20 HCED N#CC1(C(=O)N2CCCC23CN(C(=O)c2ccc(-n4c(O)nnc4O)cc2)C3)CC1 1842808523 LDFPREPXOWSIKH-UHFFFAOYSA-N 408.418 0.799 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2cccc(C#N)c2)C3)CC1 1843973892 OFXAZPKMWRZSQU-UHFFFAOYSA-N 409.490 0.539 30 20 HCED O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314788 WCSSSOMPZTUZFG-SSDVNMTOSA-N 420.429 0.619 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1846371324 NDXHOROGLNUWTF-MJBXVCDLSA-N 413.540 0.878 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 42869881 LPGIHMGOAIEQDR-GFCCVEGCSA-N 405.436 0.825 30 20 HCED CCN1CCN(Cc2ccccc2C/N=C(/N)NCCCN2CCOCC2)CC1 303873139 CGCLBXKZGYOHRU-UHFFFAOYSA-N 402.587 0.951 30 20 HCED Cc1cccc(N2CCN(CCCNS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409576660 ODXXDDDMPFOXLX-LJQANCHMSA-N 407.540 0.566 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](N(C)Cc2noc(C)n2)CC1 410423712 PMWPLNZVNINLKN-MRXNPFEDSA-N 414.532 0.771 30 20 HCED C=CCNc1ncc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 433242498 GMTHHPAYYJPTJP-UHFFFAOYSA-N 411.465 1.358 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 442898536 HRUHZQZZKGYORL-JTQLQIEISA-N 417.900 0.884 30 20 HCED Cc1ccc(C(=O)NC2(c3ncon3)CCOCC2)cc1S(=O)(=O)NCC#N 461482039 BQISAHASZKHPQY-UHFFFAOYSA-N 405.436 0.616 30 20 HCED N#C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@@]12C(=O)Nc1ccccc12 468947859 KJRXQRWAITTYLO-RCDICMHDSA-N 416.441 0.503 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 472093631 BYBZZQKAHGSFRF-INIZCTEOSA-N 407.540 0.634 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481897839 UUTWNLIWPFMUGO-OLZOCXBDSA-N 401.510 0.507 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nc(N)ns2)CC1 482860101 QGOUYOQBCYGVRR-NSHDSACASA-N 421.508 0.008 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 487181749 SEIFFMUAVAZREK-GOSISDBHSA-N 421.461 0.451 30 20 HCED CC1CCN(C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 487761274 WPKAJYMQLOZQPY-NVXWUHKLSA-N 408.524 0.434 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 498752908 KGZFGZXULYIZHP-UHFFFAOYSA-N 422.551 0.681 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1=O 505494853 OSZDMFZPKGTYOX-GFCCVEGCSA-N 416.390 0.370 30 20 HCED C=CCOc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 506181927 GRIRLWBOHIPZBN-UHFFFAOYSA-N 410.430 0.721 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 509362587 XGWRMHANKDZDFJ-MAUKXSAKSA-N 407.540 0.952 30 20 HCED CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511907503 BREWPDWPPHMEFE-OAHLLOKOSA-N 401.467 0.510 30 20 HCED CCCn1c(N)c(C(=O)CN2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513978572 OSDIYUUTVCCUDA-GTJPDFRWSA-N 422.445 0.469 30 20 HCED CCN(C(=O)Cn1cc(Br)cc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 519034943 HSWYQKZPSVECJD-LBPRGKRZSA-N 402.270 0.518 30 20 HCED Cn1c(N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c(C#N)c(=O)n(C)c1=O 520561750 ZPRDXXIDKHSHAB-ZDUSSCGKSA-N 421.454 0.042 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 524281158 JFIUYNZQKNLPBD-SNVBAGLBSA-N 405.426 0.792 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 538592270 ORIUFWGNFMQXPW-UHFFFAOYSA-N 410.496 0.261 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 540370086 MTEAXXOMSLNPAK-MRXNPFEDSA-N 402.495 0.623 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 545297015 WAAKAQMDOSPOBD-UHFFFAOYSA-N 401.467 0.518 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC#CCO)n2C 549715261 IIBFLIGQJGCDNC-UHFFFAOYSA-N 406.508 0.648 30 20 HCED CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)C2)no1 550979892 SOPKPUZRNRWYOF-QGZVFWFLSA-N 424.461 0.769 30 20 HCED CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551848320 GBCXMNJHRNXWGL-INIZCTEOSA-N 411.510 0.544 30 20 HCED CN1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 557270846 DNJMSHXMUACWND-JKSUJKDBSA-N 403.458 0.229 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 558041421 OPXIGPSJKYLXHY-GOEBONIOSA-N 401.442 0.519 30 20 HCED C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)S1(=O)=O 558609595 HTKQMCCIWMJNCZ-VBQJREDUSA-N 404.492 0.876 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 564071380 UOVPYNSYABGKIZ-HYDGNGQDSA-N 416.503 0.193 30 20 HCED CN(C)CCOc1cnccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 570490406 GBTOVCCENCKRFX-UHFFFAOYSA-N 417.491 0.488 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1=O 571814414 YIDTZENICQLLLA-UHFFFAOYSA-N 409.402 0.959 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)n1 575223412 WQXUSBSOLRHNLH-UHFFFAOYSA-N 407.365 0.971 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 575745631 ZYLNABNJINAKKX-UHFFFAOYSA-N 411.401 0.613 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 581205469 MVDCZWSHCZETHZ-UHFFFAOYSA-N 422.420 0.666 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 609087084 SREJTECOWHYJNA-UHFFFAOYSA-N 421.404 0.521 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 609108151 OGFZNENOLLXKHK-RDJZCZTQSA-N 404.492 0.337 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 615060234 YGTPMPUUOYMDCX-ABHNRTSZSA-N 413.478 0.887 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccccc2C(C)=O)C1=O 726042984 IOCUJMMFQOVQGQ-GFCCVEGCSA-N 401.375 0.736 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 726586382 XMMQHPWCASMFDC-OAHLLOKOSA-N 419.507 0.541 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1 728590255 YVLZCBGOGUSHPT-UHFFFAOYSA-N 418.519 0.041 30 20 HCED COc1ccc(C(=O)NCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732449695 NDBFVIGUAMOVAQ-FBMGVBCBSA-N 401.423 0.251 30 20 HCED C#CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 733162707 RXAYNEQFKWZNJV-HNNXBMFYSA-N 423.491 0.387 30 20 HCED C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1CCN(c2ccc(F)cc2)CC1 735116559 PFMJQPFZTWPWCP-DSGGYQJVSA-N 415.469 0.979 30 20 HCED C[C@@H](CC(=O)NCCCN1C(=O)CCC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742641828 GVQDVISFKSFBIM-LBPRGKRZSA-N 406.464 0.159 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 743974805 HXPARWQQAZCRFL-AWEZNQCLSA-N 413.409 0.740 30 20 HCED Cc1nn(C)c(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 746135981 XPUCOQMMDJDQEW-UHFFFAOYSA-N 405.436 0.369 30 20 HCED N#Cc1cnn(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1N 746888749 FNQWRNGPZWSJLS-UHFFFAOYSA-N 405.436 0.897 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCNc2ccc(C#N)cn2)C1 753375134 SIDMZILSZXUXFL-MRXNPFEDSA-N 424.527 0.447 30 20 HCED C#CCCCC(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 759604525 LKJDQQMXIRGDFP-UHFFFAOYSA-N 408.476 0.784 30 20 HCED CCCNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761018531 ZMVUXNHQMZYBBX-UHFFFAOYSA-N 419.457 0.773 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1 765472534 YERAILFQKNHPSQ-UHFFFAOYSA-N 412.406 0.426 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 766606714 WWXMCQVTGMUEDZ-QGZVFWFLSA-N 416.453 0.541 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)ccc1[N+](=O)[O-] 770655855 LVYATVOVTGXRRC-CYBMUJFWSA-N 412.427 0.890 30 20 HCED Cn1c(=O)ccn(CC(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)c1=O 770860706 SFZQBBWSSDQMJS-UHFFFAOYSA-N 411.458 0.364 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)Cc1nc(-c2cccnc2)no1)c1cc[nH]n1 772265758 HUDARMHDCZQARJ-UHFFFAOYSA-N 413.394 0.797 30 20 HCED C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)[C@H]1CCCO1 775338777 HNBDOFAHUZYICV-XYJFISCASA-N 422.503 0.525 30 20 HCED C#CCCN1CCN([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 776592574 JPRUSEYBSFWXIO-INIZCTEOSA-N 422.551 0.913 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@](O)(c3ccc(F)cc3)C2)c1=O 776766178 HSAPHPMJWVWXLP-FQEVSTJZSA-N 402.426 0.234 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@](O)(c2ccc(F)cc2)C1 776989692 JHEYLLMHWPZSGL-IBGZPJMESA-N 403.435 0.984 30 20 HCED C#CCN1CCN(C(=O)CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 778225589 LCZKWYKRYUDWRE-SFHVURJKSA-N 418.563 0.997 30 20 HCED CC[C@@]1(O)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 778969063 YMPOSLKQYYKSJW-DSPRMBBKSA-N 422.507 0.811 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 780057122 ZTCXLKDAVGSTCR-ZDUSSCGKSA-N 408.480 0.752 30 20 HCED N#CC1(NC(=O)COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCC1 784239118 ZTIIWNQIFQKOCI-UHFFFAOYSA-N 400.439 0.011 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@H]1C(=O)NCc1ccco1)c1cc[nH]n1 789958083 NNBUPBIRAHBPFO-HNNXBMFYSA-N 417.422 0.594 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NOCc2ccccc2)c1 795324031 LQLDRAULSTWDAM-UHFFFAOYSA-N 403.416 0.628 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)C1=O 799267948 CBRPACVIIUICMK-MRXNPFEDSA-N 412.446 0.914 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 806100483 YMRUZDRGUNMCCZ-UHFFFAOYSA-N 415.434 0.325 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O 808771301 WRDBRHWEBFWQBG-JYJNAYRXSA-N 422.526 0.993 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 810407825 YSNAMZOVVNGEAA-QGZVFWFLSA-N 406.508 0.596 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1COc2ccccc2[C@H]1O 811577687 XENIBVORSQYRON-ULFGMLNVSA-N 401.444 0.836 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCCC23CCOCC3)n1 814181526 CRKDLQSIZFLCRI-SFHVURJKSA-N 402.495 0.957 30 20 HCED C[C@H]1CS(=O)(=O)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1255938652 UWLZEIUUTZYYGE-SWLSCSKDSA-N 404.448 0.409 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1301968179 KNUABKLQQVRMNT-QWHCGFSZSA-N 403.530 0.211 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1318047772 FICLSSYPNMKTCI-CVEARBPZSA-N 404.492 0.699 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 1318903522 PNIXDCGTDMWSKA-CRAIPNDOSA-N 421.461 0.892 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1 1445960704 MVJUPGUGKNYPFB-HZPDHXFCSA-N 411.505 0.405 30 20 HCED CN1CCN(C(=O)N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)CC1 1464907861 LVVIXUFLUBKGLY-UHFFFAOYSA-N 407.478 0.869 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)CC1 1564602167 ZDRYZJNTDUEMHZ-JEYLPNPQSA-N 407.496 0.963 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1616950879 MNDVZCYIHRCKMR-IRXDYDNUSA-N 419.530 0.486 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1623682897 WWQLAHMYWCLTAJ-GUYCJALGSA-N 420.491 0.121 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(CNC(=O)C(F)(F)F)C1 1632892235 VGXKOYAXJYNJRJ-SNVBAGLBSA-N 418.397 0.362 30 20 HCED CN(CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1)Cc1ccccc1 1632952107 IWRHJPAYBWSQKV-UHFFFAOYSA-N 424.505 0.487 30 20 HCED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1CNC(=O)OC(C)(C)C 1662358652 ZMKUWSIPFHHMKI-ILXRZTDVSA-N 402.517 0.938 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1663325164 JYMNCKTYVFJVPE-OLZOCXBDSA-N 412.434 0.625 30 20 HCED N#CC1(CNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCOCC1 1678747711 WVBZICQFXQQKPL-UHFFFAOYSA-N 400.483 0.903 30 20 HCED C=C(Br)Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OCC)CCOC1 1722490304 ZTJGWWLTSCOVOL-OAHLLOKOSA-N 400.277 0.775 30 20 HCED 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C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 465422113 IXVPITMMFJOMFP-CQSZACIVSA-N 405.462 0.969 30 20 HCED N#Cc1c(N2CCN(CCS(N)(=O)=O)CC2)nc2c(c1C#N)CCCCCC2 480074263 PPUVGNALFOPLCN-UHFFFAOYSA-N 402.524 0.894 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1cccnc1 480784359 GFFRQVCFZLTBBD-ZDUSSCGKSA-N 401.448 0.166 30 20 HCED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 483517595 UABAFUJSJXBEST-UHFFFAOYSA-N 419.507 0.994 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)C2=O)cc1 486635862 CKFPKIUNBPCCRT-AEFFLSMTSA-N 415.475 0.796 30 20 HCED CS(=O)(=O)C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 490232381 VMJGGFCPZQIHKB-DLBZAZTESA-N 404.492 0.735 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 497221358 OBPPNDJWAGEPIQ-CQSZACIVSA-N 411.505 0.686 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(nnn3CCOC)C2)cc1 499050137 AVVCXHHKUXVOAX-UHFFFAOYSA-N 405.480 0.587 30 20 HCED CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)cn2)CC1 504559367 QZDMHVYKMMHDNX-UHFFFAOYSA-N 424.509 0.897 30 20 HCED COc1c(C)cnc(CN2CCC(N(C)C(=O)NCC(=O)NCC#N)CC2)c1C 511907494 BPSRUEIHEIECOV-UHFFFAOYSA-N 402.499 0.953 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CCN(C)CC1 518712546 FTXZMQQRHMGNCM-UHFFFAOYSA-N 424.526 0.360 30 20 HCED CC[C@@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521247549 MXTRSVYCSCQCGX-QGZVFWFLSA-N 404.492 0.696 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccncc3)c2=O)cn1 522382455 XOCSVLBXCLZQLJ-UHFFFAOYSA-N 408.487 0.538 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1F 524282034 NDSIJDPBTMPLLF-UHFFFAOYSA-N 417.462 0.661 30 20 HCED COc1cc(C#N)ccc1OCCS(=O)(=O)c1nnc(C2CC2)n1CCC(N)=O 524918539 JTSVNHKPLXULFM-UHFFFAOYSA-N 419.463 0.764 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(CC(N)=O)c2=O)nc1 531630070 IPIHNJDZZNXCRB-UHFFFAOYSA-N 424.507 0.854 30 20 HCED N#Cc1ncn(CC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)n1 534577946 MONWTKNEVZDGKN-UHFFFAOYSA-N 406.443 0.648 30 20 HCED CC[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC(=O)N1 542560215 MINALWYJMRKALI-HZPDHXFCSA-N 404.492 0.696 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 552193407 HHOWDRLKHBXYDW-CQSZACIVSA-N 400.526 0.237 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCCS(=O)(=O)C3)C2=O)cc1 557998472 WTJBDVXZXSCORL-IAGOWNOFSA-N 404.492 0.783 30 20 HCED COC(=O)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OC 558195693 VYPITUVZXVDJHE-MRXNPFEDSA-N 409.464 0.263 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)C2=O)cc1 559896248 VFTKCBWJHFFGSB-SJLPKXTDSA-N 406.446 0.172 30 20 HCED CSCC[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)N(C)C 563574642 HTOATMHHBLEKJS-ZDUSSCGKSA-N 415.479 0.404 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)NCC(=O)NCCO)n(-c2ccc(C#N)cc2)n1 572623955 KYPNGAOCKZZIOM-UHFFFAOYSA-N 412.450 0.205 30 20 HCED C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 573312856 WPOKVJLBURNJIM-MNEFBYGVSA-N 411.506 0.968 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCOC4(CCCC4)C3)CC2)c1C#N 573595328 KYEQBYWJNDZMCX-MRXNPFEDSA-N 414.510 0.857 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 578950303 LRRJRETUDBJHRW-IRXDYDNUSA-N 419.507 0.382 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2c(F)cccc2F)cc1 580923363 HWRKZEOSMSJMEW-UHFFFAOYSA-N 422.413 0.661 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ccncc3)CC2)n1 589392827 VSYCDOUOMJREGD-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CC1 590997644 KYKQEIZGQMKMPO-CYBMUJFWSA-N 413.499 0.907 30 20 HCED C=CC[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 604928204 MOSCSXQDZFHZJD-AWEZNQCLSA-N 424.523 0.651 30 20 HCED CCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 609094343 GEZBUWPKLNSODH-OAHLLOKOSA-N 413.521 0.918 30 20 HCED COCCN(CCC#N)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 609136286 KCWAWYBDBKZYGX-UHFFFAOYSA-N 401.510 0.700 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](C(=O)OC(C)(C)C)C3)CC2)o1 610448472 IEBFDLMJIPWNSX-INIZCTEOSA-N 419.482 0.546 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 610913159 DNDSFOUCYNHNJL-RHSMWYFYSA-N 406.508 0.595 30 20 HCED Cn1c(=O)c2cc(NC(=O)C(=O)N[C@H]3CCc4cc(C#N)ccc43)cnc2n(C)c1=O 618881825 UFVAAVPBUCAXEP-INIZCTEOSA-N 418.413 0.246 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1=O 623228888 YJDYPDCYEVDGOG-HNNXBMFYSA-N 414.418 0.397 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCOC2)c1=O 679753185 DOIIDXKHNHHAHW-CQSZACIVSA-N 412.515 0.942 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CC(N)=O 683735055 YSEVZSFTNUCMII-UHFFFAOYSA-N 406.467 0.671 30 20 HCED COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)CNC(=O)c1ccc(C#N)cc1 727010008 IQLHBMAOSDKIMA-CXUHLZMHSA-N 417.443 0.811 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 728570511 DEYRXKVJSGPMNA-QGZVFWFLSA-N 411.506 0.507 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 728570731 LQMSWEOHGUHCFE-KRWDZBQOSA-N 416.522 0.556 30 20 HCED CS(=O)(=O)CCNC(=S)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 729154041 PABUQJZHKZOVSG-UHFFFAOYSA-N 409.493 0.847 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 729257273 ZJXMZEKEIBQWTO-UHFFFAOYSA-N 410.474 0.233 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 731123231 LDHFPMCGWPXAMJ-UHFFFAOYSA-N 401.444 0.732 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(C(N)=O)C1 733971551 LUIFGZPNYGTNRP-JSGCOSHPSA-N 407.496 0.409 30 20 HCED COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 735054986 LPTPKONSUAAJCW-RDCVWBNRSA-N 421.475 0.748 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 739156516 YVAGLAPJZYHZMS-AWEZNQCLSA-N 421.413 0.910 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c1 744014148 OJXMKLRCWBMJQT-UHFFFAOYSA-N 411.399 0.822 30 20 HCED N#Cc1cccc(-c2nnc(COC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)o2)c1 744467784 KWBPXKLTJPMHFA-UHFFFAOYSA-N 412.387 0.621 30 20 HCED Cc1oc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1C 745484809 YCDBDCZXWSZBGF-BHTHQVBYSA-N 401.375 0.412 30 20 HCED O=C1C[C@@H](Cc2ccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C(=O)N1 747551886 YBJNOFKNJXDKQY-RDCVWBNRSA-N 411.418 0.540 30 20 HCED Cn1cc(C=NNc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(=O)n(C)c1=O 751134413 XFNFQTQKQXDPQI-UHFFFAOYSA-N 421.464 0.182 30 20 HCED COC(=O)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(C#N)cc1 756748532 NLPRBQAVNCJMCV-IAQYHMDHSA-N 406.420 0.416 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCNS(=O)(=O)c2cccnc2)[C@H](C#N)C1 756886583 OHVGQDPSWDJDFB-UKRRQHHQSA-N 423.495 0.625 30 20 HCED CC(C)S(=O)(=O)CCCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 758908123 BJNOBNINYVIZSV-UHFFFAOYSA-N 402.494 0.872 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2OC)CC1 761029880 SQTCKXCQICAELS-CQSZACIVSA-N 410.496 0.116 30 20 HCED COC(=O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 765717417 IURATSUSLJRARQ-CQSZACIVSA-N 423.491 0.796 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 766243270 OAZUIHALJLSFCM-SFHVURJKSA-N 400.479 0.977 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(=O)O)c2)cc1 767175326 AELWMKPGUAALMI-UHFFFAOYSA-N 402.428 0.992 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC([C@](C)(O)C(F)(F)F)CC2)c1=O 767512102 HJPRNYSGLQWZLH-KRWDZBQOSA-N 418.416 0.527 30 20 HCED CON=Cc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 770268764 AYYGYFFVHUKAMW-UHFFFAOYSA-N 419.459 0.830 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@H](C(=O)OC)Oc2ccccc21)c1cc[nH]n1 770823995 NFCKXWGNFSKQNY-OAHLLOKOSA-N 416.390 0.661 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 773438545 XGAWTRRBKOHAFK-UHFFFAOYSA-N 407.473 0.793 30 20 HCED C#C[C@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)[C@@H]1CCCO1 773563138 VTAHDRSAPXWNQH-RCBQFDQVSA-N 408.480 0.402 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@@H]1CCCO1 778729702 RAMJWMGFKFREHY-IRXDYDNUSA-N 403.410 0.534 30 20 HCED CCOC(=O)c1ccccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 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30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C(=O)NCCCC)CC[C@@H]2C)c1=O 921052166 BANOYGBAAROXSZ-IRXDYDNUSA-N 419.526 0.518 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccnc1 1288870703 QXGHLAHDOHCJBN-DZGCQCFKSA-N 405.484 0.255 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccs1 1303866807 LHQQSHYLSPJFIO-CHWSQXEVSA-N 410.525 0.921 30 20 HCED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(CC(C)C)c1=O 1317892316 PZJWFPNOPSZTIN-OAHLLOKOSA-N 418.498 0.670 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)NC[C@@H]1c1ccccc1 1456118569 BMFBCZNJKWLWAN-KBXCAEBGSA-N 412.471 0.925 30 20 HCED N#CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1460297461 MMJLDUGIHUUNGQ-GOSISDBHSA-N 410.471 0.009 30 20 HCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)on1 1493145977 WJDAWGTZHQIRQI-SWLSCSKDSA-N 423.499 0.552 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 1531720115 ZFEBNEIJOKCITL-UHFFFAOYSA-N 404.430 0.466 30 20 HCED 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HCED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344659 OJESKJYHZZCYIT-OAQYLSRUSA-N 414.462 0.772 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457276 MEKKPYSZFKFDFJ-SGTLLEGYSA-N 405.480 0.346 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]nc1C)CCO2)C(F)(F)F 1838683729 SXCDIEWOLLGTQN-INIZCTEOSA-N 402.373 0.907 30 20 HCED CCOC(CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)OCC 1838774102 MFAWLCUXFXOJRN-UHFFFAOYSA-N 424.494 0.862 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nn1C 1838836061 OXIJWLBISBDKSF-FQEVSTJZSA-N 417.466 0.193 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc5c4NC(=O)C5)CCO3)C2)CC1 1839572777 RMEVORZSSZXNFA-JOCHJYFZSA-N 424.457 0.555 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1)C(F)(F)F 1839892132 VRTHELXFFIQCAG-INIZCTEOSA-N 400.357 0.665 30 20 HCED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813713 QFGWYFYKXWUTDW-FQEVSTJZSA-N 404.442 0.928 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844230018 KGUAJBOSSDGIQM-BCIQXSPZSA-N 409.487 0.426 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2)C(F)(F)F 1846014565 CXKKTLRKEOOKMT-UHFFFAOYSA-N 423.457 0.980 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCN1C(=O)C=CC1=O 1847949877 KPCGTIVRWXUAEU-IRXDYDNUSA-N 422.441 0.454 30 20 HCED N#Cc1ccccc1OCC(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 16758214 FHEMFYKKKBDCIB-UHFFFAOYSA-N 415.427 0.717 30 20 HCED C=CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Cc1cccc(C#N)c1 63299726 OCEHHCXYNAKYJC-HXUWFJFHSA-N 416.547 0.878 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCNS(C)(=O)=O)cc1 139577686 SVPUFAYCUJLUCE-NBVRZTHBSA-N 402.498 0.377 30 20 HCED CN1CCO[C@H]([C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)c2ccc(Cl)cc2)C1 409475623 IUYKOJWVRYARNY-IKGGRYGDSA-N 414.915 0.770 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)C1=O 410158522 QCIMQXONSPCKHO-UHFFFAOYSA-N 405.798 0.785 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)n1 438702889 CBRDQBNRGHJTKE-UHFFFAOYSA-N 415.498 1.358 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)ccc1OC(F)(F)F 443327005 MEHRSFCCXKDIOY-SNVBAGLBSA-N 406.342 0.285 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)n1 444583299 NFYIUYFFZWOYCW-AWEZNQCLSA-N 402.480 0.986 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CCO)C3CCOCC3)n2)c(F)c1 461788729 KQWOBFLWVASCHM-INIZCTEOSA-N 415.425 1.115 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCCC[C@H]3S(C)(=O)=O)CC2)o1 471217301 YOXJTUATZNJXNW-DLBZAZTESA-N 423.539 0.791 30 20 HCED COc1ccc(C#N)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 476748887 RXPFBXKGYWOCFL-NSHDSACASA-N 402.432 0.971 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 477522341 JQYHPIWVCGBRNT-UHFFFAOYSA-N 419.481 0.816 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 480779844 LYHWJRYYZDWRSR-ZDUSSCGKSA-N 421.500 0.945 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 480930925 FDSAIVCPBIOSLT-UHFFFAOYSA-N 423.479 0.685 30 20 HCED CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481205269 FJGSTZFYPVRTDS-CJNGLKHVSA-N 424.548 0.899 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)NCc1ccco1 481487939 DRTRAAUPHMBIMG-OLZOCXBDSA-N 404.448 0.639 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1)C(=O)OC 481582137 QJMXYXGJEZATQP-AWEZNQCLSA-N 400.453 0.420 30 20 HCED CN(CC(=O)N1CCC[C@@H](CN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 484003102 LHOHDCJKJBNADS-SFHVURJKSA-N 420.535 0.750 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)cc1 486734306 UJQJHPWNVNTSBV-SJORKVTESA-N 420.466 0.869 30 20 HCED C=CCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[C@@H]1CCS(=O)(=O)C1 498019189 OOGHWWSBESJCCC-HOSILWTGSA-N 401.554 0.914 30 20 HCED C=CCN1CC[C@@H](N(C)[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 499994821 HKDCPDNWRORBQT-RHSMWYFYSA-N 408.524 0.100 30 20 HCED Cn1c(=O)n(CC(=O)N(CCC#N)CCC#N)c(=O)c2ccc(C(F)(F)F)nc21 501634799 AWOFSDWPYFKKAD-UHFFFAOYSA-N 408.340 0.770 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 503168681 LAUAUWLIWFKIDH-IYBDPMFKSA-N 421.523 0.468 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1 505159002 NFBFIBISYPOXOV-RTBURBONSA-N 408.462 0.997 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 508220184 FWJBSJPJMVIZJO-UHFFFAOYSA-N 403.420 0.973 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 514711003 FBERVZYYHALLGX-UHFFFAOYSA-N 413.455 0.566 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2ncnn2-c2ccccc2)n1 515021764 MARHFTSSEBOXAJ-UHFFFAOYSA-N 413.401 0.975 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cc2)CC1 516639987 AEKRUGHHUAZBDY-UHFFFAOYSA-N 421.504 0.690 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)CC1 517738417 AMBGJGGFHYRMMP-UHFFFAOYSA-N 409.490 0.932 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)C1=O 523378599 BKEJUUIFYGURCT-CYBMUJFWSA-N 424.417 0.998 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 524124231 LLVUHOGYJSWJPG-UHFFFAOYSA-N 409.389 0.541 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 527085608 NGUKCIDSXBAEPD-HUUCEWRRSA-N 421.475 0.700 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](NC(=O)NC3CC3)C2)CC1 545504963 GPUUNNBNCMZIBE-IRXDYDNUSA-N 416.551 0.993 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C)cc2)n(CC(N)=O)c1=O 546609388 OUWQMGKRCYSMOE-UHFFFAOYSA-N 421.482 0.306 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 551599932 FTGGJABSHKWIBB-UHFFFAOYSA-N 401.467 0.738 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)cn1C 552346417 LUAAETCMANNYGA-UHFFFAOYSA-N 405.455 0.815 30 20 HCED CCCCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 552396989 MSZYJVSHTIIQRZ-HNNXBMFYSA-N 403.531 1.025 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)cc1 552927006 GPYICDLXZYPAQR-UHFFFAOYSA-N 422.445 0.264 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1C 553242244 PBGFNJCNXQRETP-HNNXBMFYSA-N 418.479 0.344 30 20 HCED C[C@H](O)CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](C)CO 553807137 AGFVMFYEJFVGMV-IJEWVQPXSA-N 406.458 0.373 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1)n1cnc(C#N)n1 561082719 HAXJOXSCRDTLHK-TZMCWYRMSA-N 404.452 0.495 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)CC2)nc1 561244257 PCTJDSWDORZRCL-UHFFFAOYSA-N 421.383 0.677 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1 567019390 FKCKMTASPVFLRG-JTSKRJEESA-N 423.473 0.299 30 20 HCED C=CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)CC=C)cc1 569616511 XWBIMGFTGVLILH-ZIAGYGMSSA-N 404.510 0.117 30 20 HCED Cc1c(I)cn(CC(=O)NC(=O)NC2CC2)c(=O)c1C#N 570366885 JINJUMANHMPOTJ-UHFFFAOYSA-N 400.176 0.621 30 20 HCED COc1cccc(N2C[C@H](NC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2=O)c1 571171844 AGGLPCMHNILJRV-CQSZACIVSA-N 410.434 1.204 30 20 HCED CN(C)C(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 572028632 HOZPKRZEYQLYSV-INIZCTEOSA-N 412.450 0.589 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1cccc(C#N)c1 587707176 YXTNWTGMWDHQCK-QGZVFWFLSA-N 411.506 0.892 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 589410505 OSYSGRORQWMNPQ-IRXDYDNUSA-N 409.450 0.135 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N 589479662 TZWIUPSWCMFWNZ-UHFFFAOYSA-N 402.480 0.836 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CNC(=O)c2ccc(C#N)cc2)C1 608891119 URUJUAJXVQEUQC-KRWDZBQOSA-N 414.462 0.548 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CCO1 609943816 CIPCQHOBYKAGCX-CYBMUJFWSA-N 412.402 0.595 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCN1CCO 614957794 QEKHXOSVURJRPB-UHFFFAOYSA-N 414.441 0.737 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCc1ccccn1 616255241 BIQJMDLSDBUTEK-UHFFFAOYSA-N 421.482 0.200 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1=O 726042511 CPOLDACCSPEDPL-UHFFFAOYSA-N 420.334 0.062 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 728573040 IUHIQXRTCJXITJ-AWEZNQCLSA-N 403.439 0.297 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCNS(C)(=O)=O 729790587 CEZVYAFGYYZEHT-ZDUSSCGKSA-N 417.509 0.232 30 20 HCED O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCCN/C(O)=C1/N=CC=CC1=O 731887005 GBQYNJJWKQXWDP-OGLOHFSISA-N 423.429 0.023 30 20 HCED COc1ccc(CNC(=O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732456352 OPCSCWSPPTUFGR-ZCXUNETKSA-N 401.423 0.137 30 20 HCED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 736269590 FHKPHBUKGYHJBZ-CHWSQXEVSA-N 413.521 0.539 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCNc1ccc(C#N)cn1 742044874 VDNGXWNWULHPTC-GFCCVEGCSA-N 405.484 0.199 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 742143675 MOJFJQNXPAVYCH-UHFFFAOYSA-N 418.425 0.669 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1 742179854 UPXYSSNPXKVYQB-AWEZNQCLSA-N 402.519 0.158 30 20 HCED CCCCNC(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748753563 ZAAZVPXNNCEITH-ZDUSSCGKSA-N 410.521 0.543 30 20 HCED C[C@@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)N(CCC#N)c1ccccc1 749327546 RWISHKWITRNEOX-CQSZACIVSA-N 419.463 0.799 30 20 HCED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 749626311 CEDAQRJMFNOVGH-UHFFFAOYSA-N 416.463 0.337 30 20 HCED Cn1c(N)c(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)c(=O)n(C)c1=O 749812547 OPCGQVHBNXGYCT-UHFFFAOYSA-N 423.405 0.697 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCN2CCOCC2)[C@@H](C#N)C1 766059862 UETBDGDKBXZXFG-HNNXBMFYSA-N 402.517 0.483 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)O)c1cc(F)ccc1F 766957755 PMQMEZMILVSQOJ-HNNXBMFYSA-N 409.370 0.945 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cn1 770912348 LMBLOLCEHNHOEK-UHFFFAOYSA-N 400.482 0.475 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 771834249 SPPNUNVASRSESV-SFHVURJKSA-N 415.515 0.992 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)ccc1S(N)(=O)=O 774020971 WXEYMWHAHUTBKU-UHFFFAOYSA-N 420.422 0.939 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1 783454020 ZXADYWURUHOBPW-UHFFFAOYSA-N 421.392 0.818 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(CC(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 783475951 SPGHZSZDBVFXAG-INIZCTEOSA-N 406.460 0.380 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)[C@@H]1CCS(=O)(=O)C1 783480638 SBZBLVIGIDBZSB-CQSZACIVSA-N 404.423 0.599 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 786130943 BQDVKDRIJFXAMP-CYBMUJFWSA-N 413.438 0.472 30 20 HCED N#Cc1ccnc(N2CCC[C@@H](OC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)c1 791976029 PBRVBBKSVZAALL-TZNWLIJBSA-N 410.430 0.628 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 796565558 CMVKQEQHJMLYAH-MRXNPFEDSA-N 410.492 0.740 30 20 HCED C#CCC[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 799071233 FSCQAJIPNJCMJI-MRXNPFEDSA-N 424.519 0.995 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 799287475 PWONECNGYYHRTB-IBGZPJMESA-N 412.490 0.803 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cn1 801289488 DIRAKUQVBBTDFP-UHFFFAOYSA-N 411.443 0.447 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CCC3)c2=O)cn1 814253987 OJXDJICLNTWWLP-UHFFFAOYSA-N 415.544 0.447 30 20 HCED COCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1F 814883195 DJCLADVPYFDTKQ-UHFFFAOYSA-N 418.834 0.206 30 20 HCED CN(C)C(=O)OC1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 815864755 MSSYNDQEIKVRIU-UHFFFAOYSA-N 411.422 0.767 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC2)o1 915373863 IAEWVPOYQAXQMJ-GFCCVEGCSA-N 405.455 0.597 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916866711 CJWNMOHGTFZQLZ-CYBMUJFWSA-N 413.452 0.166 30 20 HCED N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 917509928 UZCQPWSHWQYYCV-LBPRGKRZSA-N 404.404 0.657 30 20 HCED CNC(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918475718 CDDQAYZDKFYJPP-PXLXIMEGSA-N 423.495 0.080 30 20 HCED C#CCOCCC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1065704410 MYUSSMQLAVXWDF-SIFVSHMBSA-N 401.507 0.195 30 20 HCED CN(C)CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1252815919 OGBRLRKWWKGWEM-SFHVURJKSA-N 411.506 0.828 30 20 HCED CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)o1 1292688423 PHLYGCBUTMIBJZ-UONOGXRCSA-N 420.495 0.816 30 20 HCED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1297690265 LDBSSMCSYGAMPL-NEPJUHHUSA-N 406.534 0.061 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 1325130439 RUOLXZGMTKKDSU-PFONDFGASA-N 402.373 0.820 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1543067671 VXZGRXRQHQURDS-JKSUJKDBSA-N 419.511 0.303 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1557600357 KKZRQNAGCVEHKO-IBGZPJMESA-N 405.455 0.974 30 20 HCED CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1558639150 IMBCCEXOKONKBD-ZDUSSCGKSA-N 405.455 0.974 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)CC2=O)cc1 1569041521 NTHIHAAMZVQGRU-HOCLYGCPSA-N 405.480 0.085 30 20 HCED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CCN1C1CC1 1635638684 YTSSBWWYOSLQMA-LMMKCTJWSA-N 400.454 0.529 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2C#N)C1 1645477585 RANWJGWRYZKMRW-ROUUACIJSA-N 411.524 0.670 30 20 HCED CC(C)(CCS(=O)(=O)N1CCN(c2cnccc2C#N)CC1)S(C)(=O)=O 1664193541 ZKKRNXXXAZODJN-UHFFFAOYSA-N 400.526 0.618 30 20 HCED COC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1769231317 NBOMGNGTMAEMMV-HZPDHXFCSA-N 405.503 0.254 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC#N 1769369406 KFSDDAJPHNBXQS-LBPRGKRZSA-N 406.468 0.961 30 20 HCED COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cn1 1769875529 YLINGGIPXMVGNF-ZBFHGGJFSA-N 421.527 0.810 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777976382 HZKXKOSFYOQATA-ZYNADVRWSA-N 422.445 0.885 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)no1 1779120787 SGVSDXFSPVZVTL-VQIMIIECSA-N 424.523 0.497 30 20 HCED CN(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359481 VCNBDEJADGGGAT-LKFYKTPHSA-N 407.559 0.924 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1779953477 HCOPQYZOBHUPNM-IBGZPJMESA-N 400.460 0.613 30 20 HCED Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn2[nH]cnc(=O)c12 1780021757 HUYOTOQDYAEQDG-OAQYLSRUSA-N 424.461 0.468 30 20 HCED C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)N1CCN(C)CC1 1781096831 JJPLMGDPDVAPIQ-UTKZUKDTSA-N 403.527 0.146 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1781772709 NZPJFYPHYDRWOX-SFHVURJKSA-N 405.338 0.265 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1cnnn1 1781969289 YKMNUQADBMAYHH-ORAYPTAESA-N 413.413 0.389 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c1OCC3)C2 1782009980 BFXBSQZHDXVDPY-VGOFRKELSA-N 412.442 0.837 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)C=CC2=O)C1 1782317531 NEXKMMAYQTVTOH-GCKMJXCFSA-N 403.479 0.638 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783585136 MZEXHGATQZEHOQ-FBKRKJDYSA-N 404.511 0.856 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C(=O)OCC)C[C@@H]21 1784486589 GZACAMPUJOFRGW-QZWWFDLISA-N 408.495 0.594 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1784494385 YPQSAMSPKALTCN-JYJNAYRXSA-N 423.539 0.859 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)[C@H](C)CC)[C@H]2C1 1784539919 BGRCRBDSALXVLB-HCNYCYLVSA-N 407.511 0.232 30 20 HCED Cc1nc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)no1 1786558261 OMXWTUXSQNRGQZ-FHWLQOOXSA-N 408.458 0.952 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787387392 DBBFOUPKPJHEPP-XWUBHJNHSA-N 405.480 0.347 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(O)C(F)(F)F)C[C@@H]21 1788569950 GMLJENYOGFFLGC-PLGIXQIDSA-N 422.444 0.853 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)C[C@@H]32)c1 1789346419 SQSFCYPOZSAKCH-OTRWWLKZSA-N 420.491 0.057 30 20 HCED O=C(Cc1ccc2ncnn2c1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1789714787 SFECBSUZGVTBER-FHWLQOOXSA-N 407.474 0.665 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3scnc3C3CC3)C[C@@H]21 1791073918 BVXWZWBUXWCZSX-IHRRRGAJSA-N 403.460 0.702 30 20 HCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4cccnn34)C[C@@H]21 1792172809 MOQPTYVVZKIXQC-ZOBUZTSGSA-N 409.446 0.096 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C3)C1 1792440666 MWFOPSSGPRYTML-TVKJYDDYSA-N 406.508 0.345 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccc(OC)cc1)C2 1793341322 OQYZOZHFJVYVRH-OKHRCBHESA-N 416.474 0.357 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1793380741 DYUTVYZOSJXENM-RMHZUWNSSA-N 403.508 0.887 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1C(=O)C=CC1=O)C(F)(F)F 1793617299 QMHQAPZMUPUADZ-DRXBFXEBSA-N 415.368 0.010 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncccc1F)C2 1795598960 HSZZREXGFDDNBW-MIFYACCESA-N 403.458 0.706 30 20 HCED O=C(Cc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795864978 LHZFBEJLZOFOCM-QIUKAFMCSA-N 416.478 0.743 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796572168 AIIZYNBBLZAZSZ-XGUBFFRZSA-N 411.466 0.833 30 20 HCED Cc1nc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)ccc2s1 1797033380 FOAHAPRHZSZSOC-HBCWATKFSA-N 413.455 0.896 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn(C(C)C)n1 1797103758 LOZFZAMXQSFRPL-FYVVFRBKSA-N 400.483 0.969 30 20 HCED Cn1c(=O)n(C)c2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)C#CC(=O)O)C4)ccc21 1797504807 GOZWKUUJBFOZMC-QDMKHBRRSA-N 410.430 0.217 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCSC)C2 1797710588 VZDZCHQDVFKAPI-NPJQDHAYSA-N 400.541 0.263 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2)c1ncon1 1798350546 LBGBVGNCEGUENT-UEWSEVFDSA-N 402.432 0.773 30 20 HCED COc1ccc(Cl)cc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800779104 UPIFZDBNTXODQK-VTEUUUEMSA-N 420.849 0.569 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@](C)(O)CC(=O)O 1801002779 HECNGYMRPSJGAG-GGNLRSJOSA-N 400.497 0.111 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801992293 XJCUOMZWRWHVND-FZKCQIBNSA-N 417.462 0.629 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)C(O)O)[C@H]2c2cccnc2)ccc1F 1802921463 CFAFQMZUTSHQMQ-HNAYVOBHSA-N 412.421 0.652 30 20 HCED COc1cnc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1806045452 GPPFBQZIAYSTEW-AUUYWEPGSA-N 409.402 0.288 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806634857 CCFZXZHKNLWTKW-LSTDLKDCSA-N 414.506 0.939 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806765361 ZWSOLWPXTPLRIM-KYJSFNMBSA-N 409.508 0.723 30 20 HCED O=C(CNCP(=O)(O)O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1807024262 OJZHIWHDTILAFI-LPHOPBHVSA-N 420.406 0.226 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)cc1 1807054915 JFWXCFHIOMJHBB-WIYYLYMNSA-N 419.489 0.685 30 20 HCED COc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1 1811209861 SFJBUXBJJYVADR-LIRRHRJNSA-N 409.402 0.288 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)COCCO)[nH]n1 1817319120 PZDBZTHWKVILQN-OAHLLOKOSA-N 406.487 0.693 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn3ncccc23)n[nH]1 1817957422 FILZAKHRQYAGTB-OAHLLOKOSA-N 407.390 0.846 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1823087609 OHNMTPZIDFXVEL-NMKXLXIOSA-N 409.512 0.579 30 20 HCED COc1ncc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1F 1825664309 UGSLSKJDIXKJLF-JTQLQIEISA-N 418.406 1.000 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670458 CVCQHYGXEVEVRK-UWVGGRQHSA-N 409.420 0.705 30 20 HCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C[C@@](C)(O)CC(=O)O)CC2 1826031259 IXUIAWLGWHJVDH-OMQMVUIESA-N 401.510 0.989 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@@H](C)CC)CCO2 1831502121 VDNCGFALJOTRFD-DSKINZAPSA-N 412.527 0.833 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1832454414 NHUBNHAKEBNJSM-FQEVSTJZSA-N 421.519 0.836 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1832454469 PQJIZDHGYMYUIP-HXUWFJFHSA-N 421.519 0.375 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1832456978 FIWSVKOZTMTLKG-HXUWFJFHSA-N 422.551 0.972 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833149514 NTXQQDLGYRZNNI-HNNXBMFYSA-N 403.527 0.798 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)c1 1833222797 UKKPXJWUKLTWLJ-HNNXBMFYSA-N 414.506 0.810 30 20 HCED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1833763588 NSLWQBABBPRPQM-HXUWFJFHSA-N 400.435 0.464 30 20 HCED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835234111 RNQNFNKNHVICAJ-OAQYLSRUSA-N 401.463 0.859 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1835712918 LARVMIUEEDFBRN-INIZCTEOSA-N 404.515 0.563 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837397215 SRFGYKJAVVLMIH-QWQRMKEZSA-N 402.438 0.671 30 20 HCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837479677 OYIBQAHWIWUXQI-KXBFYZLASA-N 402.455 0.037 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1)N1CSCSC1 1837570295 KFJGYVDTPJXFCR-PBHICJAKSA-N 414.553 0.399 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1838038745 HKABDOJJGMHLKC-IERDGZPVSA-N 420.510 0.644 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)ccn4C)CCO3)C2)C1 1838529096 LHTSENHFBPYVFC-OAQYLSRUSA-N 401.463 0.422 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4C[C@H](O)CN4)CC3)CC2)c1 1838549376 TUUNQPBYJHMHHL-KXBFYZLASA-N 415.494 0.221 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839173399 NIXOYPACPBEVFD-HXUWFJFHSA-N 420.466 0.298 30 20 HCED CCOc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1O 1839425853 LUBSOKUVVFUDFZ-FQEVSTJZSA-N 403.435 0.775 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3-c3ccccc3)C2)C1 1839808033 HLGQIQGHTXYKSO-QFIPXVFZSA-N 408.458 0.884 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cc(F)cc(OC)c1)CCO2 1840085742 IUOKUOUBGKFCAA-KTBYTZPXSA-N 402.422 0.937 30 20 HCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1F 1840158901 SEKCHAOLOUTCKD-PIGZYNQJSA-N 400.476 0.500 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840424385 KLGZNAVMCFNIDE-KKSFZXQISA-N 414.462 0.609 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840488779 ZSNDHDAMFZHLJZ-QRWLVFNGSA-N 403.483 0.759 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)c1 1840713627 NBLCOMMJBMVMRP-VGSWGCGISA-N 414.506 0.945 30 20 HCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841539792 LMKQDRHKXAEKLW-UZLBHIALSA-N 409.486 0.783 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1841605388 ZAIQJGNDEVYCMY-QGZVFWFLSA-N 410.467 0.667 30 20 HCED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196485 FHOAXMLDRCBGOB-UHFFFAOYSA-N 400.391 0.566 30 20 HCED CS(=O)(=O)NCCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 45587427 VSTRXBHNFRUAQV-UHFFFAOYSA-N 405.484 0.107 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)N3CCCCC3)CC2)cc1 46513992 FIIMGBKDDXZGNX-UHFFFAOYSA-N 419.507 0.587 30 20 HCED CN/C(=N/CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCN1CCOCC1 303900159 WPCAHFDOZLKKAS-UHFFFAOYSA-N 420.533 0.362 30 20 HCED N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)cc1Cl 409463031 IQFYOCUUNYYWCM-UHFFFAOYSA-N 410.839 0.649 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 410317589 LTGWVDHYCHGSRH-CYBMUJFWSA-N 418.479 0.621 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1 431369811 NZVOJHLGNMYBRB-AWEZNQCLSA-N 406.402 0.920 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 437342193 GHHFEJHRHRQPLV-CQSZACIVSA-N 409.468 0.212 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 437477732 HARMLFZDGDSVEW-BEFAXECRSA-N 411.524 0.976 30 20 HCED C[C@](O)(CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)CN1CCOCC1 443236633 GSTUXNXGMVWVIX-HNNXBMFYSA-N 407.414 0.939 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)ccc1OC(F)(F)F 443305477 DEIPZPJYWNXUBD-UHFFFAOYSA-N 420.369 0.675 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C(N)=O 465477797 WIBJDCAMTXZOHS-LBPRGKRZSA-N 416.463 0.355 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 472909852 XDCFWTDGOJKWIB-DLBZAZTESA-N 400.531 0.594 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 478356319 CZZMOANOFUNTMU-LPHOPBHVSA-N 407.492 0.975 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCC(N(C)C)CC1 482316239 MCEFOIBZXXLFMB-OAHLLOKOSA-N 407.540 0.367 30 20 HCED C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CCN1S(C)(=O)=O 483558873 GJOYGEAPMSWEFH-QWHCGFSZSA-N 414.509 0.870 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486640897 TVNLLQINNRVURE-ZDUSSCGKSA-N 420.472 0.881 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4CCOCC4)C[C@H]3C)CC2)o1 488679550 VZDLTWUERVPKBD-MRXNPFEDSA-N 416.526 0.688 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(OCCO)CCOCC3)C2=O)cc1 507389252 HPUSSQHHDNORIQ-GOSISDBHSA-N 416.478 0.911 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 507772683 GRCHEOSQIKOYBL-UHFFFAOYSA-N 402.407 0.818 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508706261 NWFRBAQFCKJTOB-GJZGRUSLSA-N 401.533 0.954 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 510585557 VDPGFZXHDIPVBT-GOSISDBHSA-N 408.524 0.917 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 513112406 ZGMOMLRKPGJIKI-ZMSDIMECSA-N 408.549 0.576 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCOCC2)cc1 514556531 HZZNWVNXABKQBC-HNNXBMFYSA-N 424.523 0.269 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCN2CCCS2(=O)=O)CC1 516079522 MNHGTJTTXBDLRP-UHFFFAOYSA-N 419.463 0.880 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)c(Br)c1 519648176 KAOFBECIFYDOJD-SECBINFHSA-N 409.283 0.766 30 20 HCED CCN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 520112479 PXZIXEHOGQNHDP-UHFFFAOYSA-N 419.507 0.899 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1 522161151 FMNXXOLSTJVSJY-INIZCTEOSA-N 407.517 0.901 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 525847058 QLNVJEFARCFDJV-UHFFFAOYSA-N 414.422 0.445 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(F)c2)c(=O)n1C 533625900 YGSSACWORIQGIQ-UHFFFAOYSA-N 409.389 0.993 30 20 HCED CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C#N)cn1CCOC 539637118 JCBSUDYFXKXMKB-UHFFFAOYSA-N 417.378 0.891 30 20 HCED CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 550690292 IGJQKPBGWRAQKW-UHFFFAOYSA-N 420.473 0.620 30 20 HCED C=CCOC[C@H]1NC(=O)N(Cc2ccccc2CS(=O)(=O)N2CCOCC2)C1=O 553043500 YMYOFFWKWCKRJU-QGZVFWFLSA-N 423.491 0.472 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 553165163 MUSDQYKYUHSNLH-UHFFFAOYSA-N 418.357 0.143 30 20 HCED Cn1c(=O)c2c(SCC(=O)NC3(C#N)CCC3)nc(C(C)(C)C)nc2n(C)c1=O 557750065 BSZHNKHVOKRWQE-UHFFFAOYSA-N 416.507 0.979 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)Nc2cccc(F)c2)n1 576198896 CYEIQYCVDIOOOZ-UHFFFAOYSA-N 407.365 0.971 30 20 HCED CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 576543123 ZLFSSBVYJDFZTC-HNNXBMFYSA-N 403.531 0.881 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 580602845 OJIYFMHSKVSAQV-SFHVURJKSA-N 402.495 0.385 30 20 HCED C=CCOc1ccccc1CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 600897076 RZAYJSNHHYQORO-UHFFFAOYSA-N 402.495 0.937 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)N4CCCC4)CC3)CC2)o1 603629199 DLKSLQTWZQBIIP-UHFFFAOYSA-N 415.498 0.337 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 604537092 RHZJTRHAMHVRKX-UHFFFAOYSA-N 405.524 0.833 30 20 HCED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 607754442 MWLQMJKEZZXHOD-UHFFFAOYSA-N 419.507 0.775 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 609450324 NWGLJXYIVAZWOK-UHFFFAOYSA-N 413.474 0.905 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)C2=O)cn1 609815766 ASGFJGZHCIZTQS-HNNXBMFYSA-N 424.465 0.794 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 610690333 KNXBDCCVJJYNCC-CVEARBPZSA-N 405.462 0.829 30 20 HCED COCCO[C@H]1C[C@@H](CO)CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 618592857 PUTNVJOEZLXMGE-MJGOQNOKSA-N 417.510 0.977 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 728573737 TYKSRXRKDJLBQW-UHFFFAOYSA-N 408.449 0.613 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 729257676 NJARJEXXJWDPEO-NRFANRHFSA-N 423.517 0.499 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)c1 729672966 APHSKRXBXYXGNR-UHFFFAOYSA-N 418.540 0.991 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 731456122 ZBMGLXABYQGQAW-MRXNPFEDSA-N 406.435 0.907 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 732011416 OFRRZTFSIVAUGD-LBPRGKRZSA-N 408.480 0.851 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 740518829 NQYIEDXCLNSBRM-PGMHBOJBSA-N 422.532 0.921 30 20 HCED CN(C)CCOc1ccccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 746854760 DVULIZVMZLGPON-UHFFFAOYSA-N 416.503 0.982 30 20 HCED NC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 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30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1 783349733 AVMIAXGUNJSOMV-UHFFFAOYSA-N 414.447 0.471 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1 783351210 WGZHNKLLRALQLM-UHFFFAOYSA-N 417.509 0.412 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 783481823 YCLPOWHWOAJIEX-KRWDZBQOSA-N 400.460 0.519 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 787758273 XZKIYGSILRSRBF-UHFFFAOYSA-N 420.473 0.902 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 792445436 QMQOPGHRGHMWSG-OAHLLOKOSA-N 407.492 0.873 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 792446473 AZRXNQUPHHZOKC-MRXNPFEDSA-N 420.535 0.869 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1=O 799153854 AZFSWPWEFFTNID-XDNAFOTISA-N 404.511 0.763 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 799286648 IOWQPHRZTOPEBK-MRXNPFEDSA-N 421.519 0.497 30 20 HCED 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BHRMBIICUPQDED-QUCCMNQESA-N 419.489 0.950 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808611985 AAJHLWVJSVWPEN-AOIWGVFYSA-N 405.495 0.669 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CNCP(=O)(O)O)n[nH]2)CC1 1817232686 HHOAOIKQYVKNHA-GFCCVEGCSA-N 410.371 0.430 30 20 HCED Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nc2nccn12 1825670224 GDCHICWCFVAUAZ-LLVKDONJSA-N 424.442 0.808 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCNC2=N)CC1 1826869325 JFUDJQHYMWQTQU-AEFFLSMTSA-N 403.527 0.484 30 20 HCED N=C(N)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828973585 SWUCIZZTJNXPES-LVYMYFABSA-N 422.530 0.618 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1829758243 FUXCCXFHOXOUAJ-SCLBCKFNSA-N 409.512 0.862 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cn3)C2)C1 1831391885 XCWKYQWCVWLTPD-LAUBAEHRSA-N 401.463 0.498 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1831419036 KGODQWQBSYFOSO-AUUYWEPGSA-N 424.885 0.791 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1831424462 JVQKVOXCRRXOTQ-DYESRHJHSA-N 418.494 0.457 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1832453390 YUMAZEBZOXSLMX-IBGZPJMESA-N 423.539 0.848 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833446773 OPSOHNZPQNJELH-MGPUTAFESA-N 406.483 0.711 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnnn3C)CC2)CC1 1833474104 ZLZYCWRYGRGJSY-HNNXBMFYSA-N 404.515 0.591 30 20 HCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513855 RWTIUGCEYRBFSR-HNNXBMFYSA-N 414.453 0.878 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1834397345 MUVRWNJXVURZDJ-OAQYLSRUSA-N 409.446 0.676 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834868129 GJOKMOVEZNCLPM-UHFFFAOYSA-N 401.467 0.495 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(F)(F)F)CCO2)C1 1835321214 VNRFMQCCXZMARX-RHSMWYFYSA-N 406.401 0.824 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccc5[nH]4)C3)C2)CC1 1835346792 SXMNMQBEMMDBHC-NRFANRHFSA-N 409.446 0.937 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n(C(F)F)n1 1835358722 IYYZDBBOTZCWAE-SFHVURJKSA-N 411.409 0.960 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)s1 1836078952 JJFBQNBIWWDLDC-GOSISDBHSA-N 405.480 0.149 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836209630 WJMPLEVEUPSXFY-PXNSSMCTSA-N 403.483 0.503 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837277924 CGAOTDFJNGJOQE-UGNRZPKXSA-N 423.579 0.702 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)o1 1837454610 GFAXERFCWLPNPR-SGTLLEGYSA-N 411.480 0.626 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837970842 YVGIPQDYFWOWLM-MGPUTAFESA-N 423.466 0.643 30 20 HCED CN1CCC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838739361 RSOUMAGLCCQSJO-LAUBAEHRSA-N 415.494 0.298 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1839227786 YJOKGNUCKGMRLZ-HNAYVOBHSA-N 408.455 0.854 30 20 HCED Cc1cc(C)n2ccc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)c2n1 1839625915 KTAYHZKCBKSOBI-NRFANRHFSA-N 411.462 0.935 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2)C(F)(F)F 1839644108 QQQUKBHABFBMIT-PBHICJAKSA-N 407.433 0.902 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1)C(F)(F)F 1839892189 YMYNLHMOGLMOFO-QGZVFWFLSA-N 415.368 0.976 30 20 HCED Cc1cccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041543 SRLAWWOCOTXKAL-NRFANRHFSA-N 400.431 0.082 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)CCC1 1840107469 MJCIYHGHCLAIBI-OAQYLSRUSA-N 418.494 0.149 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n(C(F)F)n1 1840162256 QRQBUZTZUTVKEU-PXAZEXFGSA-N 418.466 0.975 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1840292953 WJHYLTRRWXXONS-HXUWFJFHSA-N 404.467 0.571 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](O)c2ccc(OC)cc2)C1 1841181876 QQXUKBQYSWEKIG-QJRAZLAKSA-N 413.474 0.790 30 20 HCED COC(=O)CSCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282021 RSPAALSINJQOGE-UHFFFAOYSA-N 408.520 0.795 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2=C3c4ccccc4C(=O)N3CC2)C1 1844651241 UHJQSXWRUUBOFK-UHFFFAOYSA-N 405.410 0.549 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1847716674 LOPVNTXWMPMLQN-SQNIBIBYSA-N 409.442 0.325 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 409503791 ZBCGBTRYSMDAQD-OAHLLOKOSA-N 400.888 0.920 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 409516920 JMCOZCCXOAWWPR-GJZGRUSLSA-N 420.491 0.710 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 410140974 DBSWNAWTUSOMLI-FUHWJXTLSA-N 405.524 0.746 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@@H](CO)COC(C)C 433638927 KXNQPFIOFZBPPQ-HNNXBMFYSA-N 400.439 0.630 30 20 HCED Cc1nccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 441142223 PPVXPKKZJOIKMJ-UHFFFAOYSA-N 414.491 0.939 30 20 HCED Cc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1C#N 441790968 PMELCZHYFZUCQS-UHFFFAOYSA-N 419.441 0.694 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 446716515 JKKQYQKCNFJGEI-KRWDZBQOSA-N 404.536 0.960 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 460575130 LSJNJUBNINXYDU-HZPDHXFCSA-N 423.477 1.149 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2n(C)c1=O 465128705 CVLPYJLUDVXQDQ-UHFFFAOYSA-N 421.457 0.980 30 20 HCED CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472108566 QCYKEQXFMZZQBT-UHFFFAOYSA-N 409.468 0.641 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3cc([C@@H]4CCCOC4)[nH][nH]3)[nH]2)c(F)c1 472921293 LJWXLWHXARFBGM-CYBMUJFWSA-N 423.408 0.921 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 475732509 XWXDVOWNUPCIRQ-UHFFFAOYSA-N 420.466 0.482 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 476000924 ULXFUIMJLYFJRH-KRWDZBQOSA-N 404.492 0.576 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(OCCO)cc1 483114942 CCJMOYZMPPGIOG-AWEZNQCLSA-N 403.460 0.913 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)OC)CC2)cc1 484540557 DPEVIASQBCFMOZ-UHFFFAOYSA-N 423.491 0.843 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 484553306 BUJCQMIKXRDSOQ-UHFFFAOYSA-N 406.508 0.526 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487134310 HCVIZOKUOLIVSY-SFHVURJKSA-N 412.494 0.169 30 20 HCED C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 489928882 VIGSYXMCVBHQNZ-CYBMUJFWSA-N 417.491 0.693 30 20 HCED Cc1ccc(I)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508327536 UEEOELZSYFVEJX-UHFFFAOYSA-N 424.202 0.818 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 508473219 NQSNBDJKPXAVLV-HNNXBMFYSA-N 409.450 0.329 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C 508559892 ZAXHDXHJCNYKDE-GFCCVEGCSA-N 407.475 0.763 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 516020780 CSIAOCKBJOGYFH-UHFFFAOYSA-N 406.402 0.101 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 517749473 PBNLRJXPXKGGDN-UONOGXRCSA-N 416.521 0.564 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O 540762180 JXDOEEZMRNFYTP-ZDUSSCGKSA-N 422.800 0.677 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 555258858 TWINXXCQTXVSFZ-CVEARBPZSA-N 412.560 0.623 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)n2)c(F)c1 559057777 SXFALDUSAAFDEH-HNNXBMFYSA-N 410.409 1.139 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 559351264 HASDVQQKFMSPTL-UHFFFAOYSA-N 423.473 0.978 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 559512240 KKVWGRSWMAXBBO-UHFFFAOYSA-N 423.535 0.925 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H]1[C@H]1CCCO1 562151349 FIWKWXQUZMIDLN-SJORKVTESA-N 408.462 1.553 30 20 HCED COc1ccc(CCC(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 568310509 GCXWRMMCPOEHIY-UHFFFAOYSA-N 411.466 0.645 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(N3CCCC3)CCOCC2)c1 577150735 YAWDXBXQWGBCNR-UHFFFAOYSA-N 406.508 0.598 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 579747598 VJEOBERCPZDAGC-HOTGVXAUSA-N 404.442 0.656 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC2(CCOCC2)O1 581697242 YIDGBBWPVVLGNO-AWEZNQCLSA-N 410.434 0.874 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CN1CCCC1 585735728 NJHBTTNNHBUQCE-OAHLLOKOSA-N 414.510 0.920 30 20 HCED CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654469 OKOURRVCKQMZQE-PKOBYXMFSA-N 410.522 0.981 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C 590983215 OWAREDUAOKONRI-UHFFFAOYSA-N 419.890 0.901 30 20 HCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 608911325 BDMGDNHYIWOOEB-UHFFFAOYSA-N 410.499 0.137 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 609350485 XRURGYXIBXIIKM-UHFFFAOYSA-N 417.437 0.736 30 20 HCED C[C@@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)CC1 609448024 LSRWAZQPDXLPBH-RHSMWYFYSA-N 404.492 0.289 30 20 HCED C=CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1CCS(=O)(=O)C1 609482402 LJWFPQOCDNXPIT-LLVKDONJSA-N 407.404 0.393 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 615257068 ROKRNLXCECULOI-UHFFFAOYSA-N 401.467 0.682 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 617049377 BQVYVGDFSMRVTH-MRXNPFEDSA-N 401.533 0.056 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c1 731808450 YWTANUDJOQAJCL-UHFFFAOYSA-N 422.426 0.448 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732155232 ZQLRYPKGHIRIOE-WMQDPJMESA-N 406.464 0.304 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733171701 ZGWZCYLMMYDMOD-MRXNPFEDSA-N 421.567 0.505 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 741007666 LWFPGDAFKFYVQB-MRXNPFEDSA-N 409.508 0.535 30 20 HCED N#CCN1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 742186392 JLACJEXZKDCKJW-UHFFFAOYSA-N 424.498 0.812 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(CC)cc3)CC2)c1=O 743396880 IRFSSZQHZZBWCM-UHFFFAOYSA-N 411.506 0.886 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743728676 NZDURHAACDRMLD-UHFFFAOYSA-N 413.503 0.064 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(C#N)s4)CC3)ncnc21 750395601 RPYNCFDKTOWHAY-UHFFFAOYSA-N 411.447 0.802 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1=O 756396012 HQORXLKPEPYRPC-GFCCVEGCSA-N 407.329 0.590 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C#N)cs2)c1=O 758049877 LZMSEYCLTPYAFS-UHFFFAOYSA-N 412.496 0.132 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cccc3ncccc23)CC1 761036042 CTGDWJXHAIFVMN-HNNXBMFYSA-N 401.492 0.647 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 761079268 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C=CCn1c(S)nc2cc(C(=O)NC3CCN(CC(=O)NC)CC3)ccc2c1=O 914867960 DJFAVTXFVVGPEW-UHFFFAOYSA-N 415.519 0.811 30 20 HCED CCOC(=O)N[C@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C 915392742 MMPFNSZIYDOHDR-INIZCTEOSA-N 421.454 0.817 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917132018 GCFLJMJVHKSLLU-IBGZPJMESA-N 403.508 0.808 30 20 HCED O=C(NC1CC1)[C@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918593223 ZGIHDJDOGJOCHO-OAHLLOKOSA-N 404.492 0.775 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ncc(C#N)cc2F)O1 1055448602 ZNXKNBVUFGHXFR-CMZRPVNOSA-N 401.442 0.954 30 20 HCED COCCn1c(=C(C#N)C(=O)c2ccccc2C)sc(=Cc2cnn(C)c2)c1=O 1115823984 JGXWCAUJJFOPIB-UHFFFAOYSA-N 408.483 0.984 30 20 HCED O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCCN/C(O)=C1\N=CC=CC1=O 1116178875 UKNVMVYONFNEIA-GDJKVERNSA-N 419.459 0.598 30 20 HCED COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1150790387 NGJGHUAUPLIBAN-SUMWQHHRSA-N 423.491 0.794 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCC(OCC(N)=O)CC3)ccc2c1=O 1160878060 ALNLSGHBURLNID-UHFFFAOYSA-N 402.476 0.978 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)n1 1305791193 MORWDNILLPNQIL-INIZCTEOSA-N 415.502 0.687 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1318047777 FICLSSYPNMKTCI-JKSUJKDBSA-N 404.492 0.699 30 20 HCED CS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1320735378 MHGHELAMOHGJGJ-QGZVFWFLSA-N 404.492 0.878 30 20 HCED C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)S1(=O)=O 1324249398 FDOCILLFFSCODQ-DVOMOZLQSA-N 418.475 0.797 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507855952 VXJKDCZMKZNWKE-AGIUHOORSA-N 407.924 0.881 30 20 HCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1552919622 VBVCEGQCLZQBES-APWZRJJASA-N 417.491 0.591 30 20 HCED COCC[C@@](C)(O)Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555420903 YJHKWHFKZLFGGY-LJQANCHMSA-N 402.503 0.614 30 20 HCED 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CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1747971703 OQVGHSDRLFCVDA-NRFANRHFSA-N 412.494 0.737 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1748299989 RWKXUQGVKMRDMW-ZDUSSCGKSA-N 424.458 0.274 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cnc[nH]2)C1 1777987967 MWGHMTDJOKSZJV-FPSSLUBQSA-N 415.494 0.325 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1778971913 RIQPVIRIEHPECR-VBKZILBWSA-N 405.451 0.509 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cc3c(C)nn(C)c3C)CCO2)C1 1778972625 AHJRDMZGPOWKGZ-AVRDEDQJSA-N 418.538 0.982 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cnn1C 1779016467 WCVNEPRBMZNZQX-CCULFSDZSA-N 402.499 0.644 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1781263662 BWSJHGPSOXKKQZ-UZLBHIALSA-N 404.467 0.783 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cccn2)C1 1782554279 CZSFYJXESGMDDZ-BMQTXXJKSA-N 402.495 0.996 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783128127 WTWAECQLHFKVNG-FOIQADDNSA-N 421.567 0.678 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1783566980 OPTHNGRTFVVCLG-JOCHJYFZSA-N 422.441 0.463 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccc4n(C)c3=O)CCO2)C1 1783892448 BQHPSZHQERLOHQ-ZUOKHONESA-N 416.503 0.695 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783981488 WWROWBLBSDYMQY-WBMJQRKESA-N 422.404 0.296 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCC(=O)N3C(=O)OC(C)(C)C)C2)C1 1784186989 AYZUSHQCROHTRZ-VLIAUNLRSA-N 405.451 0.376 30 20 HCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)n1ccnc1 1784257345 HXULNIQYVIPMHZ-YWPACSCISA-N 416.526 0.896 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)c3cccn3C)C[C@@H]21 1784505268 LQJFSCBWFXYMJN-OVWQWFNUSA-N 403.479 0.779 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784804747 ICGJSCYINAVEKF-BZSNNMDCSA-N 415.490 0.475 30 20 HCED C/C(=C/C(=O)N1CC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2)C(=O)O 1785414175 XHFCOXPMUUCYSP-GLQKSVTISA-N 409.439 0.376 30 20 HCED Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)n1 1786085167 DIOSJFYOWIHIGS-ZWOKBUDYSA-N 423.473 0.964 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)noc3N)[C@H]2C1 1786840748 WLAXDOIHFATJHH-QPSCCSFWSA-N 407.471 0.959 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788192483 NHMSYVILWXZOOR-TUFLPTIASA-N 418.582 0.982 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3)C[C@@H]21 1788600228 FWAWQWVPTQIATF-IWDKLMIJSA-N 405.543 0.534 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3cncn3)C[C@@H]21 1789891629 KPZNLLCKIBTHCW-ULQDDVLXSA-N 419.482 0.157 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1789954285 ZJUJFORNGMEHCL-DKIMLUQUSA-N 404.467 0.714 30 20 HCED 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N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 574190529 CQBNJUJDUPSVHZ-UHFFFAOYSA-N 410.477 0.524 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@H](CN4CCCC4)C3)C2=O)cc1 574719146 VXKWXDQXKSDHAS-WOJBJXKFSA-N 423.517 0.720 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C1=O 582594579 IGPASBGJJCKHGK-GOSISDBHSA-N 409.490 0.835 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 604527847 RUUUOWTWUJHBNC-INIZCTEOSA-N 406.443 0.079 30 20 HCED CC(C)[C@@H](C#N)N1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 609485469 QUOFEDHQUXCRFS-QGZVFWFLSA-N 403.512 0.732 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCOc2cccc(Cl)c2)c1=O 613979476 UDHMJHNYXJEZEU-UHFFFAOYSA-N 420.853 0.392 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 646666597 ZHYOEAMHMCRPSM-UHFFFAOYSA-N 419.438 0.215 30 20 HCED CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCN(CC#N)CC2)c1 729483091 RDIVNJPAOLJDSG-UHFFFAOYSA-N 422.326 0.682 30 20 HCED COC(=O)c1cc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OC 732445872 UDPBZKIPOGGQDZ-WUKNDPDISA-N 402.407 0.807 30 20 HCED O=C(NCCCNC(=O)c1cccc(F)c1)NCCN/C(O)=C1/N=CC=CC1=O 732467544 ZERUPNRUVFSGPU-VLGSPTGOSA-N 403.414 0.771 30 20 HCED N#Cc1ccc([C@@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C(N)=O)cc1 734572654 FTEJHFYIUXMFBO-MRXNPFEDSA-N 419.415 0.556 30 20 HCED CNC(=O)C1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 745124493 IKNYADJECCWOFW-UHFFFAOYSA-N 406.508 0.926 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745587711 ZLPGOKNSQTVMEQ-XIKOKIGWSA-N 409.464 0.545 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)CCC)c1 749634724 XPVIXAWXMBLGOO-MRXNPFEDSA-N 409.533 0.982 30 20 HCED C#CCN1CCN(C(=O)Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)CC1 749873843 GYUKTOGIXJNKBH-IBGZPJMESA-N 409.494 0.024 30 20 HCED CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 750258531 GBMFZXNLNIJERE-MOLDEKSUSA-N 410.496 0.571 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCCOCC 753444220 UTUFHUJKUMJTHI-OAQYLSRUSA-N 415.446 0.847 30 20 HCED COC(=O)c1cccc(COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C#N 756161790 IZZQWVHUTHCPIE-KGLIPLIRSA-N 420.443 0.424 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccn(C)c2)c1=O 763435257 VZZBNSNPGIMOLH-UHFFFAOYSA-N 400.529 0.513 30 20 HCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2CC(N)=O)c1C 763460285 IJAYASDIHIMMOT-UHFFFAOYSA-N 420.494 0.736 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1cc[nH]n1 772638662 DDUKZDUTORKIDD-UHFFFAOYSA-N 417.378 0.892 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)c(Br)cn1)[C@@H]1CCS(=O)(=O)C1 773657669 OPEGQTATXJEOLD-LLVKDONJSA-N 414.281 0.740 30 20 HCED CCN(CC)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)n(C)c1 776144753 UOQGIFGQTBZQJZ-UHFFFAOYSA-N 404.514 0.665 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@@H](COC)OC)C1=O 781104163 NOEQLPCENPSVSV-KBPBESRZSA-N 408.480 0.515 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 781598958 GDUNLORUZVLYGQ-CZPYZCIJSA-N 421.406 0.055 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 783350904 RSPAQLOYYQUMKD-HZPDHXFCSA-N 423.535 0.951 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)c1 783454486 FOLSWLLDNFBBRY-UHFFFAOYSA-N 409.402 0.206 30 20 HCED CCNS(=O)(=O)c1ccc(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 784711061 UCOVGNJCVCZPSQ-UHFFFAOYSA-N 415.431 0.891 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1nc[nH]n1 785056857 AEZDBDBOEUJNKL-PKSOQRGBSA-N 419.467 0.433 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 800075922 MMCYBJKOALPBAP-GJZGRUSLSA-N 403.549 0.853 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1C 801290707 KHJGDGFEDQYPRC-UHFFFAOYSA-N 417.495 0.012 30 20 HCED N#CC1(OCCOC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CCOCC1 809086179 CAVAGTBGTYZAOY-UHFFFAOYSA-N 424.475 0.954 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)[C@H]1CCCO1 809149489 OKHPIZYWUCAEOL-BFHYXJOUSA-N 419.459 0.053 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1C#N 815721487 MHVVLPOTJJDHPF-LBPRGKRZSA-N 422.463 0.958 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916941769 CFKXQIDQXZIIJU-CQSZACIVSA-N 422.401 0.654 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 916942922 PSYDWCMVCXYSFZ-JCVNQNCUSA-N 424.413 0.621 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)CNc2ccc(C#N)cc2)CC1 919624455 FXIWTSLPYNBLMV-UHFFFAOYSA-N 415.494 0.572 30 20 HCED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 999258385 QFZUQGBCGKVCRS-ANPSJLJUSA-N 415.494 0.767 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1Nc1cnc(C#N)cn1 1052780896 SALMSZICHORTCJ-JPZLZDEASA-N 405.462 0.912 30 20 HCED C#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C[C@H](C)O2 1111545985 UNWDOBUAYBAWIW-UQZKUAJDSA-N 401.507 0.241 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1252273520 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411.532 0.101 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1711420886 YQPFENDJKQZBAW-UHFFFAOYSA-N 404.496 0.575 30 20 HCED C[C@@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1741951568 WBBGCFNBXIVAJP-IFXJQAMLSA-N 400.439 0.744 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC1 1771539826 LZPWNLUCHOKRBE-QAPCUYQASA-N 409.512 0.462 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)[C@@H](O)C=C)C2)C1 1778965927 XGVCYIFINQFSNQ-OLIFAPLXSA-N 405.495 0.248 30 20 HCED Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)[nH]1 1779099262 CYZGYHXHCFJSBD-URNPZBAUSA-N 405.455 0.691 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)n1cncn1 1779107507 WCSSJUJXJFPKJQ-XGZCPTRISA-N 420.470 0.198 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522577 HXFOHDBGAHTQBM-GOSISDBHSA-N 406.464 0.538 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780593848 IZEXBUFDEINZBE-DYRFGFBLSA-N 408.458 0.860 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30 20 HCED CCN1CCN(Cc2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)CC1 409564945 FYAYTBAXVXHPLB-LJQANCHMSA-N 407.540 0.383 30 20 HCED C=CCNc1ncc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 433172352 DXSHLGFAWFEPMS-UHFFFAOYSA-N 407.521 1.351 30 20 HCED COC(=O)Cn1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)nn1 441527685 VVONSMCDMQJFGZ-UHFFFAOYSA-N 401.402 0.494 30 20 HCED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CCC#N)n1 442499166 YCYYNHMKDNKNCT-OAQYLSRUSA-N 410.478 0.831 30 20 HCED CCN(CCC#N)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 446878843 FNKKNUOZWPDMAZ-KRWDZBQOSA-N 400.435 0.402 30 20 HCED COCCN(C(=O)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 447915931 NTINNTUACYSZSA-ZIFCJYIRSA-N 413.540 0.576 30 20 HCED Cn1cnc2c1c(=O)n(CCCN1CCC[C@]3(CCCCO3)[C@H]1C#N)c(=O)n2C 447919954 WGUNEVGTMYQQBN-FOIQADDNSA-N 400.483 0.751 30 20 HCED CN(C(=O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1)C1(C#N)CCCCC1 464737685 MWUJQBSDYWCLKJ-UHFFFAOYSA-N 409.512 0.807 30 20 HCED C[C@@H](CO)N1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 470939985 JZWKLFIQFRATST-HNNXBMFYSA-N 411.466 0.052 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C 478846464 ZZSYUKDHTDPDOP-UHFFFAOYSA-N 403.508 0.270 30 20 HCED CN(CC(=O)N1CCO[C@H](COCC2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 485571031 RCFWJLORKTWKNL-KRWDZBQOSA-N 407.492 0.833 30 20 HCED Cn1c(=O)c2ccn(CC(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)c2n(C)c1=O 491823413 AQMDUMRVHQPYOD-UHFFFAOYSA-N 417.429 0.617 30 20 HCED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 499431331 NBEHHQZZHAUKLF-HZPDHXFCSA-N 401.463 0.731 30 20 HCED Cn1cc([C@@H](CNC(=O)c2cc(C#N)ccn2)NC(=O)c2cc(C#N)ccn2)cn1 502074211 NRRBDVWXPVAPGN-GOSISDBHSA-N 400.402 0.855 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)NCCNC(=O)c3cc[nH]n3)n2)c1 505282432 ZHQNQKHUDMAHMA-UHFFFAOYSA-N 409.431 0.890 30 20 HCED CN(C)C(=O)c1ccnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 506232526 QTVGBWMMTUDAKS-UHFFFAOYSA-N 401.448 0.914 30 20 HCED C=CCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508490256 QBDOKYQEVPJQAC-AWEZNQCLSA-N 412.450 0.199 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 512367003 GFQGSEXCDZELAG-GJZGRUSLSA-N 423.481 0.497 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCCn3ccnc3)C2=O)cc1 519195223 JOEOWQNURWYEET-GOSISDBHSA-N 408.462 0.963 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCOCC 523743235 DCPPLXWXZRGDJS-UHFFFAOYSA-N 401.463 0.891 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 537279687 SYANXQHGBAMBIY-GOSISDBHSA-N 423.514 0.287 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)NC(=O)NC3=O)CC1 539480650 NPEMIGJRIMQPCA-AWEZNQCLSA-N 416.507 0.131 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC(CC#N)CC2)c(O)nc1=O 543811403 QAEPDVHGZMXAPE-UHFFFAOYSA-N 420.514 0.936 30 20 HCED Cc1ccn2cc(CNC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)nc2c1 551861289 IVEKZCZEEBTIRV-UHFFFAOYSA-N 403.446 0.874 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 554152970 ZJXJNVARSFDLFZ-ZFWWWQNUSA-N 413.521 0.508 30 20 HCED Cn1ccc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)c1=O 557695133 SEESRTHTNCLGRD-CQSZACIVSA-N 411.462 0.917 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 557732052 LMQMCQGOUBGYTQ-IBGZPJMESA-N 414.506 0.679 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)cn1 564466639 KENDZANXYROYNV-AWEZNQCLSA-N 419.449 0.596 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)cc1 564467326 CZSTVHJRRIQMHT-INIZCTEOSA-N 422.532 0.403 30 20 HCED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 564593851 TVAYERFZYNJPDV-NSHDSACASA-N 415.269 0.409 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 568560999 CTZIYWNTEHXBHK-WOJBJXKFSA-N 414.506 0.903 30 20 HCED CO[C@@]1(C)C[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1(C)C 571272477 ITQZGSCPAKFALC-QRWLVFNGSA-N 402.499 0.569 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 586851429 GAAIXASXPLXXMS-UHFFFAOYSA-N 416.482 0.351 30 20 HCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc12 604207281 JSAXPWLAICTZDE-UHFFFAOYSA-N 404.434 0.831 30 20 HCED CN(C)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 604525571 VDUGHHJRCQNLFE-UHFFFAOYSA-N 406.508 0.610 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(N[C@H](C(N)=O)c3ccc(C#N)cc3)cn2)CC1 609676751 RUQUCPYFSDGBRW-SFHVURJKSA-N 414.491 0.673 30 20 HCED CSc1nc(O)c(C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)cc1C#N 609771597 QBXTWKXRAGNAJX-CYBMUJFWSA-N 419.507 0.386 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)C1=O 623227746 INJYAHQCELJHPZ-UHFFFAOYSA-N 413.839 0.207 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O 673510326 QHCBRNBGHOQBMA-WBVHZDCISA-N 416.453 0.683 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 728531376 IFIUYHQBILEFCH-OAHLLOKOSA-N 402.882 0.587 30 20 HCED COc1c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(C)nn1C 732854902 SJOFQDZOCLNLOK-UHFFFAOYSA-N 402.411 0.411 30 20 HCED N#CC1(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCC1 736844443 SBCFCKGGQRWQDO-KRWDZBQOSA-N 413.430 0.734 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 742184575 XSAJIFXUGSGTOU-HNNXBMFYSA-N 424.498 0.812 30 20 HCED COc1ccccc1-n1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 742295173 VLDIRQGVCXGOFQ-ZCXUNETKSA-N 417.447 0.686 30 20 HCED C[C@@H](CC(=O)NC[C@@H](C)CN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742694740 JZXDGWUWDXVGTL-CABCVRRESA-N 408.524 0.588 30 20 HCED N#Cc1ccc([C@@H](OC(=O)c2ccc(S(=O)(=O)NCCO)s2)C(N)=O)cc1 745145340 KJDJEIUSBDNGOX-CQSZACIVSA-N 409.445 0.274 30 20 HCED C#CCN1CCN(C(=O)CN2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 746502395 KCPTWFDGUYGPEF-UHFFFAOYSA-N 422.526 0.346 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C1CC1 753356456 COKLNIAZDBQWFQ-UHFFFAOYSA-N 400.460 0.389 30 20 HCED COc1ccc(CCCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(OC)c1 754538259 BPCZYYRGJRPCGQ-INIZCTEOSA-N 408.476 0.992 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(C2OCCO2)CC1 763423148 GFCGARBNHNBKPB-UHFFFAOYSA-N 410.434 0.997 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 765870390 GRQLDWGUFYLWGU-KBPBESRZSA-N 421.527 0.710 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc[nH]n1 772268406 RSMLLHKNDANUID-LLVKDONJSA-N 419.360 0.315 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)Cn3cc(S(N)(=O)=O)cn3)C2=O)cc1 778793218 PTKGARKKUNEBLO-HNNXBMFYSA-N 403.420 0.141 30 20 HCED CNC(=O)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 781826041 OZLUMOZIEWFTBP-MOLDEKSUSA-N 423.495 0.478 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785157297 ZMFZAYNTVAXGLZ-LTGZKZEYSA-N 406.464 0.204 30 20 HCED Cc1nn(C)c(N2CCN(C[C@@H](O)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 788276796 WDKYLWNCKQNIFB-GOSISDBHSA-N 403.508 0.859 30 20 HCED CS(=O)(=O)NCCNC(=S)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 795004881 OSHZFUOOXCBYIO-HNNXBMFYSA-N 415.972 0.946 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(F)c1 802550117 MIZNXEUCUOJJKN-UHFFFAOYSA-N 404.417 0.651 30 20 HCED C#CCN=c1nc(N2CC[C@H](N3CC=CC3)C2)[nH]c(N2CC[C@H](N3CC=CC3)C2)n1 804505717 ISTJXQFYUWGRDI-OALUTQOASA-N 406.538 0.240 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 804894975 VFBWWGKIKQZMMX-MOPGFXCFSA-N 403.527 0.991 30 20 HCED CC(C)[C@@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 807452421 SYUDGNMCYGVNKX-CHOFAJOMSA-N 424.523 0.819 30 20 HCED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 810379655 IDHVROODCZQSRN-UHFFFAOYSA-N 411.422 0.813 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@]2(C)CCOC2=O)c1 810477113 IJFHCXCKTFFKSO-SXZORUHJSA-N 422.463 0.260 30 20 HCED Cc1cc(C(=O)OCC(=O)NCCC#N)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 913242207 CVWHCHOFGNZYLH-UHFFFAOYSA-N 418.475 0.987 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 916930570 JFRAYCLAQQPIDI-ZDUSSCGKSA-N 400.416 0.840 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)OCC(=O)NC1(C#N)CCCCC1 917347836 MGFMQLQQNQHMOM-ZDUSSCGKSA-N 405.542 0.933 30 20 HCED N#C[C@H](C(=O)CCN1CCCS1(=O)=O)c1nc(N)nc(Nc2ccccc2)n1 918485816 AXQIDZJVPXLCRP-CYBMUJFWSA-N 401.452 0.799 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[C@@](O)(CC#N)C3)CC2)c1 1163162530 HWUVWEMWOGQULV-IBGZPJMESA-N 406.508 0.324 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1266230306 RYSCLUDUTXRXAI-TZMCWYRMSA-N 424.910 0.962 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)c1 1300155754 WAXLDHFARFLSPU-KRWDZBQOSA-N 405.524 0.554 30 20 HCED CC(C)S(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1323936640 LSHVMFNUDXPJTI-HNNXBMFYSA-N 406.464 0.703 30 20 HCED Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1327101123 YFWNLTGYZLGCKC-QGZVFWFLSA-N 416.503 0.644 30 20 HCED COCCn1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1=O 1327150386 HYTANCOHWNRFSO-UHFFFAOYSA-N 404.448 0.857 30 20 HCED COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1450216042 PCNJQZWPTOOFSM-GUYCJALGSA-N 416.459 0.521 30 20 HCED COC(=O)Cc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1F 1474931238 ULMLVTNLIXAATJ-UHFFFAOYSA-N 413.471 0.778 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(O)CCC1 1509684772 PGFCRIHOJLGGAM-MRXNPFEDSA-N 401.515 0.898 30 20 HCED CC[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N)OC 1513487021 SNPNXLKGOPCJPZ-KFWWJZLASA-N 414.532 0.632 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)c2nccn2C)cc1 1524704462 LBHMNVXZXHGMGJ-AWEZNQCLSA-N 402.432 0.487 30 20 HCED CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558164024 QWDYVESSQBBDIV-LRDDRELGSA-N 414.853 0.761 30 20 HCED N#CCC1(CS(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1561233664 VHPNXWXPZSSQLZ-INIZCTEOSA-N 420.539 0.895 30 20 HCED CC(C)NC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1610019107 VCBYJURGEXKXMV-GOSISDBHSA-N 400.418 0.892 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)(F)F 1619912869 OBSMMWWXMUQOCX-GFCCVEGCSA-N 404.393 0.827 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2)[C@@H](C#N)C1 1629507421 ZBAFKMATPJRIFU-AWEZNQCLSA-N 408.480 0.936 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)nc1 1669218233 QYHBHGILZZOZPB-UHFFFAOYSA-N 401.452 0.610 30 20 HCED CNC(=O)CN1CCC(NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1681525670 UUSYWBDTEWYIMP-UHFFFAOYSA-N 409.494 0.968 30 20 HCED N#Cc1cccc(-c2nnc(N3CCCOCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1698485356 XIBAOMVBWKMYHD-IBGZPJMESA-N 417.491 0.593 30 20 HCED CC(C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)N1CCOCC1 1706192709 OMPUGYOPNUBABO-UHFFFAOYSA-N 409.494 0.864 30 20 HCED CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1766348521 LNWDHFKDGPVHHC-QKPAOTATSA-N 424.527 0.701 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC)NC(N)=O)C1 1777985191 ZLMXYEOSAFMYFX-YJPQMCDFSA-N 424.542 0.520 30 20 HCED 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1838798482 XDKDTEHEXQTCON-JOCHJYFZSA-N 423.473 0.751 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273661 XQXSBSIIAKUATC-LJQANCHMSA-N 418.406 0.674 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839360998 KNSNMHTYSFDVIS-SIKLNZKXSA-N 415.490 0.840 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362545 ZATPGLUNRZEHOP-IERDGZPVSA-N 400.479 0.417 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839620710 RCGIYVGTTVOZTH-DJJJIMSYSA-N 422.482 0.862 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1839810412 WCNZVIASFGWXRD-HXUWFJFHSA-N 400.410 0.485 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)C1 1840103610 ISUHSRZOPMPQBV-OAQYLSRUSA-N 405.495 0.422 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840161358 LVKPHFHOBRWLIC-JXFKEZNVSA-N 410.536 0.460 30 20 HCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)OCC 1840283342 YAYPOOSVOVTZPE-NRFANRHFSA-N 423.510 0.926 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc(OC)c1C 1840755361 QEGJWKKJUIDGEO-NRFANRHFSA-N 417.462 0.996 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840804114 YCBRZSVCLGUQSU-OAQYLSRUSA-N 423.510 0.771 30 20 HCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812404 OPBZBSPJMHQLCO-OAQYLSRUSA-N 415.494 0.801 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1840844647 GWCXSHUMJIIGSS-UWJYYQICSA-N 401.463 0.719 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1841747814 NDSZTSJVZJWSCI-GJZGRUSLSA-N 408.499 0.794 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844230250 XMOMSTKFVBZNEO-INIZCTEOSA-N 404.511 0.596 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1845439057 IQGITOYPQXQYNP-UONOGXRCSA-N 412.487 0.834 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2)C(F)(F)F 1846015974 FFUCGVBQQPULTD-CQSZACIVSA-N 413.400 0.779 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2 1847070531 YVVSUGISPQTCIC-ZDUSSCGKSA-N 423.539 0.733 30 20 HCED N/C(=N/OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1CN1CCCCC1 110459707 WUMLFRQMQJBWQB-INIZCTEOSA-N 408.524 0.613 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)CCO1 410116513 JZVIAUAFUIMHBY-KRWDZBQOSA-N 414.491 0.735 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O 427903270 JTXVWFMEZNWDBH-XKQJLSEDSA-N 405.476 0.822 30 20 HCED C=CCOC[C@H](NC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OC 435143096 ZWIMAJHGTXCHRH-YPMHNXCESA-N 408.480 0.922 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 438764086 NCKKEQPSVKJKES-MRXNPFEDSA-N 413.478 0.524 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(COC)cc2)c1=O 439252555 ZZKIRPDMLBXZSV-UHFFFAOYSA-N 412.511 0.947 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCCOCC 440373775 JBTITSUACKRRQK-UHFFFAOYSA-N 412.471 0.606 30 20 HCED CCOC(=O)[C@@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 466374388 RZGDPSRHKDGCLZ-SGTLLEGYSA-N 419.463 0.709 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)c1 468187579 RHKWLPWJLSITSD-QGZVFWFLSA-N 421.461 0.792 30 20 HCED COCCN1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1=O 471090802 MSFCQQQYQSUUCF-UHFFFAOYSA-N 402.451 0.991 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)CC2)o1 471217303 YOXJTUATZNJXNW-IRXDYDNUSA-N 423.539 0.791 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)c1C#N 471673745 KNZDFZHEXMNFKC-UHFFFAOYSA-N 421.461 0.614 30 20 HCED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 472970324 URWRFAIMAZZQSP-GOSISDBHSA-N 423.477 0.834 30 20 HCED COCCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 477628366 SYUPZKHLDJXYNH-UHFFFAOYSA-N 413.522 0.429 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N(C)Cc3noc(C)n3)CC2)C1=O 478366327 DKSINXHVDVVWNN-AWEZNQCLSA-N 418.454 0.168 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(OCC(=O)OC)cc2)C1=O 478685716 ODKBDUDYJGYTLT-UHFFFAOYSA-N 403.391 0.174 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)COc1ccc(F)cc1 483123475 PHHVEIBQNCTNJJ-CZUORRHYSA-N 421.450 0.920 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 485412758 UZBRHRKRZBNKGP-KGLIPLIRSA-N 401.492 0.662 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(CC#N)CC#N)CC1 503637851 PQJQCIHAARSVHG-UHFFFAOYSA-N 404.448 0.750 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)c1 504272763 PWXGMFGYOXDWHN-UHFFFAOYSA-N 420.429 0.868 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C 505710658 LIUCRVWVKNOQQO-UHFFFAOYSA-N 407.293 0.634 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN(c4ccccc4C#N)CC3)nc2n(C)c1=O 505715701 ZWGKFFOKAYOTJQ-UHFFFAOYSA-N 404.430 0.466 30 20 HCED Cc1nc(C)c(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 507589056 OQMVQUUIYDMPGW-UHFFFAOYSA-N 401.496 0.639 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)n1 508681474 VRCYCEJGLINBQH-LBPRGKRZSA-N 402.377 0.653 30 20 HCED C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508989042 YKHJOQXMMZGAJM-NSHDSACASA-N 420.271 0.369 30 20 HCED CN(CC(=O)NC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 512339260 SFVDFRJYGBEGCT-UHFFFAOYSA-N 404.492 0.696 30 20 HCED CCc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 517632909 FUPYJVXJKDBIPH-UHFFFAOYSA-N 420.520 0.599 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1 517982037 YVUDHQYPRYFBRU-UHFFFAOYSA-N 406.464 0.402 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(c2nc(C(=O)OCC)cs2)C2CC2)C1=O 524835301 VNTLUVZAWIEQAB-UHFFFAOYSA-N 406.420 0.792 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)[C@H](C)NS(C)(=O)=O)c(C#N)c2N)cc1 530745436 UHGUXKOLOLXHCB-ZDUSSCGKSA-N 404.496 0.621 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 532509362 FPOQWTPTAJFMLT-HNNXBMFYSA-N 408.480 0.824 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c(F)c1 533555661 RETFIEXQLNYEFT-NSHDSACASA-N 404.466 0.872 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)c1 537810348 JLWDXRYBKAKRSP-OAHLLOKOSA-N 401.510 0.305 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 538167119 KLQVDHNAYPRRGF-INIZCTEOSA-N 409.446 0.784 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 539410316 XXNDRIKDPKEHTA-GFCCVEGCSA-N 417.465 0.075 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)nc1 550224128 KSCGUMWSLWCJHW-UHFFFAOYSA-N 407.839 0.640 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 551603167 QEPKMZQBMADTHE-AWEZNQCLSA-N 403.458 0.767 30 20 HCED N#Cc1ncn(CCNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1 552328348 TUAITFZCIIDNGP-AWEZNQCLSA-N 404.452 0.037 30 20 HCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 553696499 HCDKCJPBXVAIJF-UHFFFAOYSA-N 404.430 0.939 30 20 HCED Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)n(C)n1 556066545 RUGOWAVDRNSDMW-HNNXBMFYSA-N 412.498 1.275 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 556069053 MMCZYGJKLBHTTN-KRWDZBQOSA-N 415.473 0.813 30 20 HCED COCCCN1CCC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 557491010 DQZCMNQQPUHYDK-UHFFFAOYSA-N 414.510 0.219 30 20 HCED Cn1ncc(I)c1C(=O)N(CCC#N)CCN1CCOCC1 569009544 ZYZYJHTVHXKPLP-UHFFFAOYSA-N 417.251 0.713 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 571797961 NQOHXAQVFNXCLC-KSSFIOAISA-N 424.379 0.301 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC(CNS(C)(=O)=O)CC1 582992646 HNYAJJQROLUCBO-CQSZACIVSA-N 401.533 0.954 30 20 HCED CC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 583893617 HNQLFAURIOKLQI-GOSISDBHSA-N 411.462 0.251 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CC[C@@H](CC(N)=O)C2)cc1N1CC[C@@H](CC(N)=O)C1 588853846 BRVLPQIAJDOQCW-STQMWFEESA-N 400.439 0.870 30 20 HCED CN(CCN1CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608904384 PUKSUSDAVXITFU-UHFFFAOYSA-N 420.535 0.750 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 608906218 YYPYKTPURYUARY-UHFFFAOYSA-N 421.500 0.578 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1CCOC 609768338 KQULCRJQEGGAQC-KRWDZBQOSA-N 408.524 0.748 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 610187350 LDRRNDOIGMENSE-UHFFFAOYSA-N 419.463 0.071 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)cc1 674475568 GCTKCALRNYFUBE-UHFFFAOYSA-N 423.495 0.427 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(Br)c(OC)c2)CC1 728534853 RWFKNQWVDHTRSR-UHFFFAOYSA-N 424.295 0.974 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCS(=O)(=O)CC2)c1 731536565 HUQKVFZWUOYCQD-OBGWFSINSA-N 414.509 0.762 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCCSC 732562917 ORBQHRJVBMLBQX-UHFFFAOYSA-N 417.560 0.685 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1 733148562 CNDOGJMCRFBPAI-UHFFFAOYSA-N 401.858 0.213 30 20 HCED Cn1cc(/C=C\C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(C)c1=O 739432849 XTUIWKDCYMUYFN-SREVYHEPSA-N 419.459 0.001 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744033680 VDUXGKFGABAHHA-IREHDKGXSA-N 411.414 0.895 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 745015067 ZWDQPTBISGGHRR-WFASDCNBSA-N 411.436 0.982 30 20 HCED CN1CCN([C@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)c2cccs2)CC1 746343253 ABJTVPJYXFVFMY-OAHLLOKOSA-N 401.496 0.512 30 20 HCED C[C@@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)Nc1cccc(C#N)c1 746944157 XZTQRRMNQOCHSZ-LLVKDONJSA-N 407.386 0.688 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3ccco3)n2CCC(N)=O)CC1 750001176 VRWDVEBLVJESAD-UHFFFAOYSA-N 402.480 0.283 30 20 HCED C[C@@H](CC(=O)NCc1ccc(C(N)=O)nc1)/N=C1/NS(=O)(=O)c2ccccc21 753648118 MWGJSXBUKKZKMJ-NSHDSACASA-N 401.448 0.314 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1 753693900 UVNFWEHRGLUFTB-IAGOWNOFSA-N 410.517 0.780 30 20 HCED CCOC(Cn1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1)OCC 757152256 RNUVKMNAUQJAPD-CQSZACIVSA-N 414.470 0.690 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 763395197 CZWSPYXSZADDLI-FCEWJHQRSA-N 408.524 0.563 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1=O 763964765 TUBGZTKYUUQNIF-UHFFFAOYSA-N 413.386 0.619 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 765054366 FLGUTTHGIYQASU-BMRADRMJSA-N 402.498 0.488 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1 765471627 DKJYNTFLUUBLQP-SDXDJHTJSA-N 416.525 0.719 30 20 HCED C#CCNC(=O)COC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771411914 MCFUJWGVJXVANN-QGZVFWFLSA-N 422.235 0.509 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 771471898 SOHPNNYBRSTCLB-ZIAGYGMSSA-N 423.495 0.821 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1)c1cc[nH]n1 772489758 XMBITYMGTSQGCB-NVXWUHKLSA-N 420.514 0.178 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)[C@@H]1CCCO1 773059351 WUTUSNVGLVNHKV-KGLIPLIRSA-N 406.551 0.689 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1CCN(c2ccccn2)CC1 781601302 DPUNIKGNISLLSG-UHFFFAOYSA-N 403.439 0.719 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 784824902 VRFWHJQBGSULOF-GOSISDBHSA-N 400.479 0.160 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1 785279009 BTECWRXHPYZZRJ-LUKYLMHMSA-N 414.414 0.589 30 20 HCED N#CC1(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCCC1 786358372 HTVOGZJMXAKUEN-KFZJALRRSA-N 403.435 0.425 30 20 HCED CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 786737372 FCDHAXHNNXFNFN-UHFFFAOYSA-N 416.482 0.633 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccccc1CN1CCCC1=O 787428964 AOISCPHDRDBBER-UHFFFAOYSA-N 420.473 0.920 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C)c1cc[nH]n1 789966224 GBJYCFYHEFCCPK-GFCCVEGCSA-N 411.484 0.510 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 791178480 LBPGBTALTMGBPC-UHFFFAOYSA-N 409.471 0.827 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)CC1 791353241 PNHUBUQVKUGHLR-KRWDZBQOSA-N 404.417 0.742 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 804465446 NSBZOMNQEJCTEB-CQSZACIVSA-N 423.491 0.842 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cnnn3C)nnc12 807892036 CWLCVEAKDRNMSK-UHFFFAOYSA-N 410.463 0.767 30 20 HCED N#Cc1ccc(S(=O)(=O)CCSc2nnc(C3CC3)n2CCC(N)=O)nc1 808020481 GWFQXTDMUGBQHD-UHFFFAOYSA-N 406.493 0.864 30 20 HCED CCOC(=O)N1CCN(C(=O)CN2CCN(c3snc(C)c3C#N)CC2)CC1 810064142 SYSKAQCJKARCOG-UHFFFAOYSA-N 406.512 0.746 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 810778835 OQMDGRPCKUHWID-CQSZACIVSA-N 415.449 0.217 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 810780137 PRIVYRPIFOEZJP-SNVBAGLBSA-N 403.438 0.509 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 810786531 MWEKUDVGFVSSSK-UHFFFAOYSA-N 411.484 0.933 30 20 HCED 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C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833171245 ZGLSLDUVUHJCLI-OAQYLSRUSA-N 400.479 0.669 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1833478419 WOFMEQPFYPMEAQ-DLBZAZTESA-N 420.554 0.840 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)cn3)CCO2)C1 1833649533 RIMOWUGHUSCYCC-KUHUBIRLSA-N 408.524 0.536 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834072410 WKSSWJXQIRKONM-MRXNPFEDSA-N 408.572 0.955 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ocnc1C)CCO2 1834368314 VXWURFHRZPRWMQ-HXUWFJFHSA-N 421.450 0.562 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348437 XPTBWLORMJRKGV-LAUBAEHRSA-N 404.511 0.619 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1835362717 SUPUYJXLYYRUCA-HXUWFJFHSA-N 415.425 0.847 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835673078 VUIMTRRQFRFJFF-HXUWFJFHSA-N 419.482 0.335 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835811472 HOSJFCQMXGJLTP-WIYYLYMNSA-N 400.479 0.489 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1835912914 PYQPERDFTCQLCF-RXVVDRJESA-N 400.479 0.626 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cccc1C=O 1835949676 NKOMWHOYNUSNBB-JTSKRJEESA-N 413.474 0.731 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114332 HPEWBHFUXRJRSV-CXAGYDPISA-N 412.537 0.343 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1837661764 GYCSYJKCJHHUQA-HXUWFJFHSA-N 405.499 0.878 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837817689 MUKCDZZLLDLSFE-DYESRHJHSA-N 419.478 0.430 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2)C(F)(F)F 1838108899 UNVPYMLGWDOCSM-HNNXBMFYSA-N 405.329 0.569 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085788 PLNWSMMVFBZHGL-HMFYCAOWSA-N 417.506 0.257 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)cc1 1839865310 UTNNJOFJYRIIGC-NRFANRHFSA-N 414.462 0.088 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1 1839865393 ZTZMZUIJAFRUSZ-HXUWFJFHSA-N 418.425 0.033 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1840044554 LMMYTGRTBVXNPU-MXTNKPTQSA-N 404.463 0.357 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840161360 LVKPHFHOBRWLIC-OXQOHEQNSA-N 410.536 0.460 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840358731 VIPMRUUQQKLHMN-NRFANRHFSA-N 424.461 0.310 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4CCc5nc[nH]c5C4)CCO3)C2)CC1 1840362077 FPKAHWBMRXDGRW-QVKFZJNVSA-N 413.478 0.275 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4cnccn4)C3)C2)CCC1 1840816306 WWKNLGNONSMTOO-GMKGHPLGSA-N 411.462 0.640 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](S)C(C)C)C1 1841628943 YTUAKJFGYUMQFC-HZPDHXFCSA-N 407.540 0.615 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)c1Cl 1846034098 BBRFHTHPGVMBNG-UHFFFAOYSA-N 420.897 0.315 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(=O)n3[nH]cnc3n2)cc1 1847308693 RZMYIPOOSKVGRJ-IRXDYDNUSA-N 417.429 0.347 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C1CC1 22105585 NOQPUIFKUGXSAU-RTWAWAEBSA-N 410.430 0.732 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCNS(=O)(=O)CC)cc1 57859494 HFCCQOJMNHITFK-UHFFFAOYSA-N 404.514 0.554 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)ccc1Cl 410414624 SDFCNMXLNDPHDY-UHFFFAOYSA-N 416.912 0.645 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)NCC#N)c1 426000108 BBDOQSQDZUKMMQ-UHFFFAOYSA-N 409.512 0.605 30 20 HCED COc1cc2c(cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1)OCC(=O)N2 429860510 TUQPNYXDHVNKSS-UHFFFAOYSA-N 424.479 0.263 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C[C@H](C)C#N 437408099 HKROXAVXUHIBHZ-CYBMUJFWSA-N 408.480 0.573 30 20 HCED CO[C@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 441278254 PCUXNWNHIMQSOO-ROUUACIJSA-N 420.535 0.938 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)CC1 443699050 OACZWDCJQALTEB-NRFANRHFSA-N 416.478 0.969 30 20 HCED CCO[C@H]1C[C@@](CO)(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1(C)C 444805471 VJFKIDMKKXFOAS-JXFKEZNVSA-N 405.499 0.659 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o[nH]1 462284010 PWXODTYSWFJUNE-ZDUSSCGKSA-N 418.435 0.225 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 470321692 CBMYSYATMZFQLD-ZBFHGGJFSA-N 416.507 0.744 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1C 478846437 ZRTWJUUMOULVSO-UHFFFAOYSA-N 405.483 0.746 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)OC 481762850 UBAKKEVEBAYLMY-ZDUSSCGKSA-N 400.453 0.420 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CC(N)=O)nnc12 482299606 UXEVWQZJARKPFU-LLVKDONJSA-N 400.464 0.702 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CC(N)=O)C1CCOCC1 482490366 NMXKOJMKKMTPMD-MLGOLLRUSA-N 408.480 0.012 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486616314 NJRKGYPCZLOZGM-HNNXBMFYSA-N 417.447 0.537 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 491074169 GFFQKYBCRTZZKW-UHFFFAOYSA-N 424.885 0.742 30 20 HCED C=CCN1CC[C@@H](N(C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1=O 500015894 UBDVRPVDDLWKGF-RHSMWYFYSA-N 408.524 0.983 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)nn1CCC#N 504031791 HZOQWJQFRCZTEU-AWEZNQCLSA-N 400.414 0.643 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 504267321 ZGUMTHKDXKGVQR-LBPRGKRZSA-N 411.436 0.648 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C(F)(F)F 507025789 WOHFMHFEQRJBFD-LLVKDONJSA-N 410.349 0.574 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2cccc(C)c2)C1=O 522873792 OOIMWVYIZVSTFH-CQSZACIVSA-N 416.459 0.812 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2)c1=O 523090298 ZLMDWMOGPZVOAW-UHFFFAOYSA-N 415.515 0.602 30 20 HCED COc1ccc(C(=O)N2CCSC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 540432785 VMVSAOKVGYFHDD-CQSZACIVSA-N 411.505 0.797 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)cc1 540877606 BCKSLQGPBPFETM-OAHLLOKOSA-N 409.508 0.860 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)CC2 542997780 DVEYNGSNFQLZOY-CYBMUJFWSA-N 408.397 0.853 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cccc1-n1cnnn1 544864281 ZKEHQVYVCINGNA-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C)o2)c1=O 548289779 ITZLDQHLXVJSJD-CQSZACIVSA-N 402.472 0.956 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cncc(C(=O)OC)c1 548863930 KTRFDOBIXZRCST-UHFFFAOYSA-N 407.408 0.956 30 20 HCED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 549668557 ZZDSKSJBCHRTBW-SIRPWMCASA-N 423.539 0.801 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCn2ccnc2)CC1 550081749 GBVGLQFWIATHBM-UHFFFAOYSA-N 403.446 0.768 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCSC1 550838512 HFBMVBZHMONKFH-RXVVDRJESA-N 415.563 0.776 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NCC(=O)c1ccc(C#N)cc1 552325719 BBFAUSLCQGOCHE-UHFFFAOYSA-N 415.417 0.735 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 552327025 HXFLRXVVYRTFGP-CYBMUJFWSA-N 406.443 0.506 30 20 HCED COc1cccc(CCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1OC 556161554 PTBFYZWBKQLWAJ-UHFFFAOYSA-N 414.466 0.631 30 20 HCED CS(=O)(=O)c1nc(C(=O)N2CCN(c3cnccc3C#N)CC2)c2ccccn12 557747486 SBUMGIMNZRJFLD-UHFFFAOYSA-N 410.459 0.967 30 20 HCED CN(C)C(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 558477925 PMYATUUBRMXPQV-UHFFFAOYSA-N 416.459 0.942 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 558524850 JFXROUSBVCGYSV-OAHLLOKOSA-N 414.491 0.780 30 20 HCED CC(=O)N1CCN(CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 559637379 ORRFFPWIOJFATC-UHFFFAOYSA-N 415.313 0.763 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)cc1 560531238 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IJNIGFUMAXDDDE-UHFFFAOYSA-N 404.404 0.102 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccnn3C[C@H]3CCOC3)C2)nc1 590272741 AMUVRFNTUHYJFI-HZPDHXFCSA-N 410.434 0.805 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)C1=O 607547895 PXZIBIBOXMCTAC-ZDUSSCGKSA-N 418.837 0.928 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C(=O)NC4CC4)CCC3)CC2)cc1 609160775 OBNAHABDSUPWCZ-UHFFFAOYSA-N 416.503 0.840 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)cn2)cc1 609957653 JZKBABHLYYXZQY-UHFFFAOYSA-N 407.386 0.949 30 20 HCED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 615631192 BUFYJZUBPBORCU-HXUWFJFHSA-N 401.442 0.867 30 20 HCED N#C[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 615635616 CURHAPXMBAICMH-HXUWFJFHSA-N 420.510 0.946 30 20 HCED Cn1ncc2c(N3CCN(S(=O)(=O)c4cccc(F)c4C#N)CC3)ncnc21 742274044 YDVPZEWSXXSKPA-UHFFFAOYSA-N 401.427 0.885 30 20 HCED Cn1cc(N2CCC[C@H](OC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cn1 744788777 QUESTNLOKWBHCC-KRWDZBQOSA-N 416.459 0.945 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)C(F)(F)F)CC2)c1=O 749964289 RCOYPEZVNAZTKM-CYBMUJFWSA-N 403.405 0.070 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1 750342107 IYVPWSUYSBSEQA-UHFFFAOYSA-N 413.829 0.785 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 751368546 GXBDVOOOJLKWIL-KGLIPLIRSA-N 403.460 0.024 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)cc1C#N 752378348 KBFRVCFNAXAMIT-CYBMUJFWSA-N 403.439 0.902 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)[C@H](C#N)C1 754385768 OYKLRMNKQKQRPO-DOMZBBRYSA-N 421.479 0.688 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 756755056 MZJLAWQXJODQKF-LBPRGKRZSA-N 405.436 0.335 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cncc(I)c2)CC1 756977999 NUXUUYXHLSZLQS-UHFFFAOYSA-N 412.231 0.193 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2Cl)c1=O 758083449 MBEQDOKSCYRFMS-UHFFFAOYSA-N 401.875 0.462 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 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CCOCc1nc([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 812315227 RLMPTBUXCFJDSM-LLVKDONJSA-N 407.452 0.912 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)c2nccn3c(Br)cnc23)c1 813982284 HDHQXUPUCZLVGC-UHFFFAOYSA-N 407.209 0.877 30 20 HCED Cc1ncc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 815274831 ICTMWLYFAUUWIM-CYBMUJFWSA-N 406.445 0.933 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)c2)c1=O 838176838 UFWCTSJIHNRCGI-UHFFFAOYSA-N 415.515 0.840 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 916875840 UWTLKRRBSFZIQW-KRWDZBQOSA-N 407.492 0.949 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917768190 DFZRQNBEPFSPNU-UHFFFAOYSA-N 415.519 0.289 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc(Br)c2)c1=O 918729695 GUVYDEJSSGCOKA-UHFFFAOYSA-N 417.288 0.787 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 919549040 IBEBCKITWVHIAR-CYBMUJFWSA-N 410.434 0.562 30 20 HCED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)cn1 990914307 JJEADOURRYFJDA-SXJNSPEGSA-N 418.457 0.260 30 20 HCED CC(C)N1CCN(c2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)CC1 1167523795 SRKYWZSDMVEZAV-UHFFFAOYSA-N 410.478 0.781 30 20 HCED O=C1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](c2ccccc2)CN1 1178584829 CPUJTZALPHEENL-INIZCTEOSA-N 412.471 0.815 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCOCC1 1288773541 OUFJBGKFDVWEKT-LSDHHAIUSA-N 413.548 0.349 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1COCCO1 1293097360 IGKYUKGIGRWERN-HNNXBMFYSA-N 400.487 0.496 30 20 HCED Cn1nccc1[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1306844007 YXGPKOYIJXFGQK-YOEHRIQHSA-N 403.464 0.607 30 20 HCED CC1(C#N)CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1360789102 RTTOIDUIODAUAY-GOSISDBHSA-N 417.495 0.415 30 20 HCED N#Cc1sccc1N1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 1453391319 ZDENATMOFUUDKX-MRXNPFEDSA-N 403.489 0.998 30 20 HCED CC(=O)N1CCCCC[C@@H]1C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1616613124 VKJCEHNHJQHPOL-QGZVFWFLSA-N 401.467 0.850 30 20 HCED Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CC(N)=O)C(=O)C2)cc1C 1626200716 RYJSVEZXRMLICT-UHFFFAOYSA-N 408.462 0.850 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1697023443 KVQKSODVOAEDIN-KRWDZBQOSA-N 408.459 0.945 30 20 HCED COCCN(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1698023510 UJZUDVHDHZSXOA-INIZCTEOSA-N 405.503 0.211 30 20 HCED CC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1743469759 WMYZXNWIAAYKKP-OXJNMPFZSA-N 401.515 0.738 30 20 HCED CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)NC 1763124662 ZFWVTRAQXPUTNI-UHFFFAOYSA-N 417.539 0.584 30 20 HCED CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764300297 FGDJSHVLHMVIJJ-JKSUJKDBSA-N 401.515 0.957 30 20 HCED CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1769061479 XJRNIOBAXCPPBN-HXUWFJFHSA-N 401.515 0.711 30 20 HCED 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1799238326 FXBOHEIOXWJZPI-HGKCTWBKSA-N 424.461 0.141 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccccc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c2ccn(C)n2)[C@H]1c1cccnc1 1802483944 XLWRJYVIJZGJLR-SXQBJFQMSA-N 422.489 0.993 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1c1cccnc1 1803565004 NINPBLYZXIZZFT-WMEZAQDKSA-N 400.479 0.957 30 20 HCED N#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1806872004 UPDFNJUKUIRSKT-XYJFISCASA-N 404.492 0.968 30 20 HCED NC(=O)c1ccccc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881045 WJYPLUNGYKVTQI-FOIQADDNSA-N 420.425 0.588 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812883266 YWKQWENUGKAZGX-VGOFRKELSA-N 423.473 0.768 30 20 HCED CCC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1814130904 GYOZXMNUSVLOFA-FUHIMQAGSA-N 414.462 0.480 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824898699 DSOGTVNJYHPJES-NVXWUHKLSA-N 420.510 0.749 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1828089607 NWDTUWASXDUQLU-SNVBAGLBSA-N 411.447 0.513 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCN(C)CC2)CC1 1828440621 VBNOWIUVMWUJSZ-CTNGQTDRSA-N 418.582 0.892 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1830057975 NXKYJFDXXYNGRU-HXUWFJFHSA-N 412.450 0.349 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1830058233 RLFRLCNCYMWFTG-NRFANRHFSA-N 411.462 0.954 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1832457329 LVTHHEYKEBGENR-FQEVSTJZSA-N 422.551 0.972 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833426620 AGNCCEHKAZEXKJ-FPLPWBNLSA-N 412.534 0.830 30 20 HCED CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427203 MQKJKTQRBYJLHH-UHFFFAOYSA-N 402.539 0.744 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834193597 RXULYGUJYICMAH-QRWLVFNGSA-N 420.466 0.658 30 20 HCED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)c1 1834448170 KEOWASDINUARHZ-QFIPXVFZSA-N 423.473 0.870 30 20 HCED O=C(Cn1cncn1)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834870909 CHURPJBOKLLFIA-UHFFFAOYSA-N 420.517 0.901 30 20 HCED CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n[nH]1 1834923521 CAMXEQQLYVLECF-UHFFFAOYSA-N 401.467 0.245 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347847 HONIFGLCDZWDJH-NRFANRHFSA-N 415.494 0.340 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1835675621 ZTFSWRMCFBLCHX-CBNMVNINSA-N 422.501 0.617 30 20 HCED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729442 FAPNKEOTGIZLPL-XQNSMLJCSA-N 420.558 0.166 30 20 HCED Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561588 WGEDXFHCMDGYIM-SWHKHVPSSA-N 416.434 0.765 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1C)CCO2)C(F)(F)F 1838216293 KVUSQSFQQMNLAP-KRWDZBQOSA-N 414.384 0.974 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cncnc4)C3)C2)c1 1838906502 MXWOOENKFRNVCD-QFIPXVFZSA-N 421.457 0.661 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1839225840 WFVQBLHMDJVWPF-JKIFEVAISA-N 403.426 0.899 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373382 DMKWEQIZHAGJDQ-ADLMAVQZSA-N 412.464 0.192 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)c1 1839450890 LXRRVYCLIXVHOG-UGKGYDQZSA-N 415.490 0.954 30 20 HCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)COC1 1839776404 HPNUKKAJLXLFJW-QHCPKHFHSA-N 412.486 0.921 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@H](C)CC)C2)C1)C(F)(F)F 1839891453 GGFDMWVPXCMKOX-SUYBPPKGSA-N 408.417 0.968 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1840170925 DSTCMFWCYABOLG-MGPUTAFESA-N 411.499 0.932 30 20 HCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1840467071 JICNQQMZQVHNME-HXUWFJFHSA-N 401.467 0.113 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)cc1 1840594966 BSROBKFEJITMPC-JOCHJYFZSA-N 413.474 0.933 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840841979 GJFPWURXJXDVRG-IBGZPJMESA-N 404.492 0.899 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999022 SWZNICJIBPGTAN-INIZCTEOSA-N 415.494 0.407 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1844894273 GWWJHNZREZCRGL-UHFFFAOYSA-N 416.503 0.801 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)[C@@H]4CCNC(=O)C4)C3)c2c1 1846424362 FQHZVEARASOUSN-CQSZACIVSA-N 406.446 0.778 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CNC(C)=O)C3)N(C(=O)OC(C)(C)C)C1 1846449933 GXUOKFQPWHKTBT-INIZCTEOSA-N 420.510 0.892 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 1847347806 SQMPQBZTXHDQCM-GJZGRUSLSA-N 419.445 0.936 30 20 HCED C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2cc(C#N)ccn2)CC1 29451095 WVEHPIPIBIOQAQ-QGZVFWFLSA-N 406.494 0.603 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)c1 31081024 RHGDZMPSCQFGHI-UHFFFAOYSA-N 404.430 0.967 30 20 HCED C=CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 57237774 AFLLRBQODRBBGN-GFCCVEGCSA-N 413.477 0.988 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 409505043 XCKSXUYJBWRQBU-GFCCVEGCSA-N 402.423 0.767 30 20 HCED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 426471803 UBTUOOGZVNQPAN-ZACQAIPSSA-N 404.492 0.771 30 20 HCED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 432588282 CRVCHNPVQOTORX-KRWDZBQOSA-N 418.519 0.998 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(F)c1 433529950 WAJQNOLGVNOEFR-UHFFFAOYSA-N 401.442 0.793 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@H](O)[C@H](O)C3)c2)c1 434563644 CJOCHHZBJDODIQ-KDURUIRLSA-N 408.410 0.376 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)Nc2ccc(F)cc2)cn1 438871000 NXJZTLZEXKGYIF-UHFFFAOYSA-N 407.365 0.971 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)C1=O 440252934 GGNOYYJKQYQGFN-AWEZNQCLSA-N 408.480 0.087 30 20 HCED C=CC[C@@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 440264594 JHUXXNYSUDVYBB-CYBMUJFWSA-N 408.480 0.217 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 446802651 QYRBJIZBPHSDFC-NSHDSACASA-N 422.371 0.783 30 20 HCED Cn1c(NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)c(C#N)c(=O)n(C)c1=O 447684443 ZLRONJJHMWXHBC-UHFFFAOYSA-N 416.381 0.990 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]2CCCO2)cc1 448389562 MFHMERJNSXZCBX-JKSUJKDBSA-N 411.480 0.088 30 20 HCED COc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N[C@H]1CCOC1 466352461 LDJFKGNJSLKVFD-YPMHNXCESA-N 420.451 0.425 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c(C#N)cnc3c(F)cc(F)cc13)C2 466430593 JLIJOLUSAYWAEF-UHFFFAOYSA-N 413.388 0.851 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3cc([C@H]4CCCOC4)[nH][nH]3)[nH]2)c(F)c1 472921414 LJWXLWHXARFBGM-ZDUSSCGKSA-N 423.408 0.921 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1)C(N)=O 480176226 FYDGKYCRJJHXIU-UHFFFAOYSA-N 424.465 0.763 30 20 HCED CCOC(=O)c1c(NC(=O)N(C)CCNC(=O)N(C)C)c(C#N)cn1CCOC 481451075 LNZJJQNWULMLOL-UHFFFAOYSA-N 408.459 0.918 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CC1 482197348 GNULMCLHAWJYKZ-QWHCGFSZSA-N 413.521 0.649 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)c2ccccc2S(=O)(=O)CC)C1=O 485254778 QCMNXXCPWSMMGZ-UHFFFAOYSA-N 407.448 0.810 30 20 HCED CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 485990022 MMAOSNRAHLUBQO-KRWDZBQOSA-N 404.492 0.447 30 20 HCED COC(=O)c1nc([C@@H]2CCCN2S(=O)(=O)N2CCO[C@H](C#N)C2)sc1C 499493202 GYYDXBLCHKNKLB-NEPJUHHUSA-N 400.482 0.844 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)C1=O 500217457 PACSZPCDBREEFQ-AWEZNQCLSA-N 400.435 0.641 30 20 HCED COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 500435355 NCHGEGFDKHBZCJ-UHFFFAOYSA-N 423.267 0.967 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)nn1CCC#N 504026077 QFDBPBFSJMSEGE-INIZCTEOSA-N 424.509 0.766 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 506199640 QPFAAGJDCFWFHO-UHFFFAOYSA-N 409.446 0.289 30 20 HCED C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cc2F)CC1 507175727 BSMOMALEMMATIX-GOEBONIOSA-N 408.499 0.853 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)c1 511302760 BRGQMFTYUVEOEP-KRWDZBQOSA-N 409.508 0.860 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccco3)c2=O)cn1 522381920 FTUGRNHQXNNDNF-UHFFFAOYSA-N 409.471 0.834 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(F)c(F)c3)c2=O)cn1 522384302 RPYIUHJBWAUAKS-UHFFFAOYSA-N 415.425 0.643 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 524709896 JJHYXJSANQZQQM-UHFFFAOYSA-N 409.512 0.487 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(C)C)c2)c(=O)n1Cc1ccon1 532193774 TZHOHZILNQVLKR-UHFFFAOYSA-N 424.482 0.982 30 20 HCED COCCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 532745790 UYFBLFQPCLYMTJ-WBTXTPOCSA-N 407.559 0.686 30 20 HCED N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)c1 548547089 HHNQRLWLKILGPK-UHFFFAOYSA-N 420.491 0.922 30 20 HCED CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)S1(=O)=O 553804786 NXSXKNGDIPROQV-GZBFAFLISA-N 413.521 0.649 30 20 HCED CSc1nnnn1-c1cccc(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c1 562133905 VEQHVBPXRCKGTI-UHFFFAOYSA-N 411.451 1.380 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 567269867 BAJPHEJQJCZHQL-KSSFIOAISA-N 424.379 0.696 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 570183631 CBPCCPDJRGWQPM-UHFFFAOYSA-N 405.547 0.983 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)C2)c(F)c1 570433395 LBUPKFYPQGXZPB-IIDMSEBBSA-N 413.453 0.519 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)nc1 579482083 YGOFWXMXJRUQIZ-UHFFFAOYSA-N 407.434 0.142 30 20 HCED N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 581688790 QGAHCNOEETUEGW-CQSZACIVSA-N 400.503 0.874 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 588093000 ORWFAUVXRSECCK-UHFFFAOYSA-N 412.494 0.839 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 609594712 AEMUPGVKPVGRBD-OAHLLOKOSA-N 404.496 0.691 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 610955638 KBZFCGRMNRHXHI-UHFFFAOYSA-N 424.482 0.417 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 615255389 HEEZXIMECROVAQ-UHFFFAOYSA-N 424.479 0.035 30 20 HCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc(C#N)cn1 730894962 DQIOSMUSHLQNEW-LLVKDONJSA-N 400.416 0.735 30 20 HCED C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 732156141 KGCUPDYLKLZGNU-KBZZJAQTSA-N 411.418 0.096 30 20 HCED Cc1ccc([C@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)N2CCOCC2)o1 733887278 VNUXDVIEBOSZMQ-DNTCVELPSA-N 402.451 0.994 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 743903185 OKDKLMXPCAOWAC-UHFFFAOYSA-N 419.434 0.881 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 753662321 FTGBTGZJGZADPO-AWEZNQCLSA-N 418.431 0.205 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 756889355 ZVWTUGISAMQIDI-XQQFMLRXSA-N 402.517 0.826 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 756896156 ZRACVAIRTBMFCK-MJLGCCKJSA-N 405.455 0.582 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758060086 YVIPLDMXHINFOD-UHFFFAOYSA-N 424.438 0.241 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3ccc(F)cc3OCC#N)cnc21 760363405 DTDMCWCWLJOZSP-UHFFFAOYSA-N 405.367 0.876 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)cc(Cl)c2O)c(=O)n(C)c1=O 771892339 QBQJNMQFCDGTBF-UHFFFAOYSA-N 407.235 0.409 30 20 HCED CC(C)(C)OC(=O)N1CC(O)(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 773305760 NLOCPINEZGYPHS-UHFFFAOYSA-N 423.491 0.571 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 774484807 QBGQKEFRUAAEHK-UHFFFAOYSA-N 404.427 0.559 30 20 HCED C#C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)[C@@H]1CCCO1 775666842 QKDVXMQJUDOZLK-HOCLYGCPSA-N 413.434 0.482 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782086784 COCLKLZTJYMSLM-HNNXBMFYSA-N 422.507 0.259 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(Cc2ccccn2)n1 782904776 IAIJCFMOKSHZIV-UHFFFAOYSA-N 411.466 0.339 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 783062284 WBPUPPRCUPMJJG-CYBMUJFWSA-N 416.525 0.842 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NCC)ccc1C)[C@@H]1CCS(=O)(=O)C1 783479267 BQINSKZWYHTHDI-OAHLLOKOSA-N 405.476 0.332 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 796179192 FVLWWIDJLJSNTH-UHFFFAOYSA-N 400.478 0.689 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCOC[C@H]3C#N)ccc2F)CC1 800902735 YIJJNRHHCQTVMX-OAHLLOKOSA-N 424.454 0.043 30 20 HCED Cc1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 801288554 XMZKSBLTVIMYCG-UHFFFAOYSA-N 419.445 0.170 30 20 HCED C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 810121944 URAUBYKSZZAGHQ-UHFFFAOYSA-N 401.444 0.435 30 20 HCED C[C@H]1CN=C(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)S1 810440479 VVJYGMZEOPNKEK-ZDUSSCGKSA-N 407.521 0.472 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 815861581 OUMXTBHWOVGEMB-UHFFFAOYSA-N 421.519 0.649 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 919132190 IIWSPYYLRUTEQT-AWEZNQCLSA-N 411.480 0.464 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 967218082 FIIOSNUJHHMIME-UEDWAMCQSA-N 403.523 0.890 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1CCNC(=O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1001762346 XKNGSPXJFHVVPT-NRKBZLAMSA-N 417.506 0.178 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CN(C)C1=O 1003143966 CRAKFCVOZCUIMV-SUJAAXHWSA-N 404.467 0.110 30 20 HCED C=CCn1c(Cc2noc([C@]3(C)CCN(C(C)=O)C3)n2)nnc1N1CCOCC1 1116589571 LXSHMFRYIZFIOH-LJQANCHMSA-N 401.471 0.784 30 20 HCED Cc1sc(=O)n(CC(=O)NCC#CCNC(=O)Cn2c(C)c(C)sc2=O)c1C 1116669451 CXPANLMYYWNNJR-UHFFFAOYSA-N 422.532 0.303 30 20 HCED COCC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1117719867 XKESIOKKDAOBHU-GJZGRUSLSA-N 402.407 0.458 30 20 HCED N#Cc1cn(CC(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)c(=O)nc1O 1137406800 PYTMIMZPYWSAHZ-JTQLQIEISA-N 413.217 0.683 30 20 HCED Cc1ccnc2[nH]c([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)nc12 1263377027 PEMAYPMANAFWJW-YNEHKIRRSA-N 401.448 0.478 30 20 HCED N#CC1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1303000792 JZUJELQLRXILDE-LJQANCHMSA-N 416.507 0.553 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)c1C#N 1309550018 WKNUPNFOBDZXKZ-ZDUSSCGKSA-N 418.566 0.600 30 20 HCED CCOCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1314281543 UOXSRVPPWMGUMO-KGLIPLIRSA-N 414.532 0.680 30 20 HCED C=CCOC[C@@H](NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OC 1321592097 NXYYSCNWKWXUQP-DZGCQCFKSA-N 413.496 0.840 30 20 HCED COCCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1555413812 MEMQKNTYIBYNCM-LSDHHAIUSA-N 411.528 0.972 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1 1559813185 XWTRMJGSTQZSHD-UHFFFAOYSA-N 421.527 0.791 30 20 HCED CS(=O)(=O)NC1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1584843314 UPIZUXSDVUJBBI-UHFFFAOYSA-N 419.463 0.783 30 20 HCED COC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)n1 1639264783 PWLNLBNAEDPIRD-KBPBESRZSA-N 423.495 0.216 30 20 HCED CN(C)[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1696598811 ZEYYTQNLJXHJFU-HZPDHXFCSA-N 410.482 0.994 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NC2CCCCC2)CCO1 1698494063 QXHQIWQKIYIUPF-LSDHHAIUSA-N 401.471 0.407 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CCO1 1712884940 WBLGUDRCYDJNLP-JKSUJKDBSA-N 415.498 0.797 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCOC[C@H]3C)CC2)c1C#N 1725863012 NDBYEONPRANGTF-OAHLLOKOSA-N 413.530 0.547 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3nc[nH]c23)C1 1777860130 IODFCYGFJGEULM-IIBYNOLFSA-N 410.430 0.778 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CC[S@](=O)CC)C2)C1 1778819685 FKFNXXNCHPNTAT-WHLCRQNOSA-N 414.524 0.484 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1778968751 UYHSJDQGSSAHSL-LIRRHRJNSA-N 414.524 0.296 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncc2Cl)C1 1779660483 BOMONYKVBAAENE-DNVCBOLYSA-N 405.838 0.951 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1780167825 GZYNCOAXYAOUKW-OAQYLSRUSA-N 423.429 0.820 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781482311 RQSKDVVTYPYYHZ-MOXGXCLJSA-N 422.551 0.712 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331176 VGQWLXNLPUZYCE-LXHZQTKUSA-N 423.473 0.636 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C(=O)OC(C)(C)C)C3CC3)[C@H]2C1 1783689058 KKTLQMFIPVDBMV-XIRDDKMYSA-N 405.495 0.999 30 20 HCED CC(C)n1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cc1C(=O)O 1783885215 DNSFPYNCUPPVOV-KZULUSFZSA-N 410.496 0.924 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1783893908 PUAMHYUTNIDLJK-BKTGTZMESA-N 405.476 0.869 30 20 HCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OCC)C[C@@H]21 1784031277 KHHKIOITQCPMFY-DWRORGKVSA-N 423.510 0.799 30 20 HCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1784034369 MGDQVDDHLSTZPE-FHWLQOOXSA-N 414.506 0.991 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1784541736 PULCQZWUAAXLFO-FPXQBCRKSA-N 411.568 0.933 30 20 HCED COc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n1 1785230028 HWDYHUALEUNNAW-XIRDDKMYSA-N 415.446 0.091 30 20 HCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccccc3n(C)c1=O)CCO2 1785421839 APAWITPIYNIAPH-JOCHJYFZSA-N 408.458 0.790 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nnc(C)o3)[C@H]2C1 1787028755 IEMMEYKSIJSZQE-YHUYYLMFSA-N 406.483 0.473 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cnoc1 1787571997 JOFPJMMHROJCEK-ZSJOPZQOSA-N 406.439 0.797 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1 1788470953 QPQGLIMTQSDURZ-OREBXVKISA-N 423.510 0.799 30 20 HCED Cc1nc[nH]c1CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1788540846 AXMLNINKFHSCPB-DZKIICNBSA-N 420.491 0.019 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21 1788572981 KXCVWNDKJHAGDL-NXNVCVFFSA-N 403.479 0.954 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1788573423 XRLURCFHQVPPGN-IKICRFKJSA-N 403.479 0.954 30 20 HCED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1790868289 NVPUALIDAXRRRQ-DPZWOIPNSA-N 412.490 0.871 30 20 HCED COc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cn1 1791072310 AZRCPKFBJPYPNY-ULQDDVLXSA-N 415.446 0.091 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)[C@H]2C1 1792343997 VTMNTGRCNDLRCB-LUKYLMHMSA-N 421.494 0.235 30 20 HCED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1792925420 HBCFYAOGZQQMID-WJMWBRGCSA-N 418.582 0.980 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1793345293 QYBWOZNJHJBENW-HGTKMLMNSA-N 401.419 0.052 30 20 HCED 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C[C@H]1CCNC(=O)[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 441508118 ZEQUBDXZAPNSSM-SUMWQHHRSA-N 404.492 0.600 30 20 HCED CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441516737 YBENTFSOAFZJQZ-UHFFFAOYSA-N 412.450 1.327 30 20 HCED COc1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1-n1cnnn1 442227352 DVAWQKRJYFGUAZ-UHFFFAOYSA-N 407.390 0.676 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)n1 444511824 OZYGEPRRWDXBKW-UHFFFAOYSA-N 400.483 1.376 30 20 HCED Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 444590268 LTCOWZQVDDWXND-GOSISDBHSA-N 410.478 1.233 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 447363372 KJWGIILVTOCWNA-AWEZNQCLSA-N 407.496 0.227 30 20 HCED N#Cc1ncn(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 447728725 MIKFXAAGTDDELR-HNNXBMFYSA-N 400.414 0.123 30 20 HCED C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H](C)N1CC(=O)N[C@@](C)(C#N)C1CC1 448525310 PRHJDZBUYKQLJG-ZXJYCPGTSA-N 414.554 0.998 30 20 HCED CC(=O)N[C@H](C)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 475672545 OXXKSYJZXYGNJR-KGLIPLIRSA-N 406.508 0.988 30 20 HCED Cc1ccc([C@H](CNC(=O)c2cnn(C)c2C#N)NC(=O)c2cnn(C)c2C#N)o1 476477919 VSBXFFATVQCGQN-AWEZNQCLSA-N 406.406 0.699 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)C1=O 478144019 YRHVUWTVXZZHIY-ZDUSSCGKSA-N 413.390 0.437 30 20 HCED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481252475 FNDDLYKIJJNZTR-CJNGLKHVSA-N 424.548 0.995 30 20 HCED CC(C)(C)C[C@@H](CC(=O)N1CCN(CC#N)CC1)C(=O)N1CCN(CC#N)CC1 486373233 ICIZGJMIVDZAPF-GOSISDBHSA-N 402.543 0.764 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@H](CC)CO)CC2)cc1 494341919 RXMAEEARQAYFEE-QGZVFWFLSA-N 403.483 0.848 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 494469864 DVWCPLLGPPFQBA-PXNSSMCTSA-N 403.502 0.533 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)nn1CCC#N 504030260 AGOCMHGJRRUEHD-KRWDZBQOSA-N 401.515 0.672 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1 505685193 XCNZMYDATDJXJO-UHFFFAOYSA-N 407.499 0.970 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 506907736 HTUGVPNXFLQCST-ZIAGYGMSSA-N 405.480 0.936 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 510783971 OOMXMDNUDXQOLK-UHFFFAOYSA-N 419.507 0.944 30 20 HCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 516092707 PDGDEAMCNXNQLW-UHFFFAOYSA-N 413.459 0.644 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)C1=O 520993495 MVLCSPMOJIZLIM-CYBMUJFWSA-N 420.422 0.643 30 20 HCED Cc1ncc2c(n1)CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2 531396822 TVCPRGQBWMSRKY-UHFFFAOYSA-N 402.418 0.820 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 531755235 QKJGTBARLOXALN-UHFFFAOYSA-N 422.869 0.215 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)CC1 532108490 ISENHHHIBUQFTE-CQSZACIVSA-N 420.413 0.843 30 20 HCED CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 538350060 CSPJPISXUVUFAS-LSDHHAIUSA-N 411.553 0.080 30 20 HCED C=CCn1c(Cc2noc(-c3ccc(C(=O)NC)nc3)n2)nnc1N1CCOCC1 545645524 PBZFAZUIQULLPC-UHFFFAOYSA-N 410.438 0.696 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 550254392 FLNVITNWOWDXPM-UHFFFAOYSA-N 403.258 0.315 30 20 HCED CN(C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1)C1CCCCC1 550385642 XJWHXFVQZDNNBN-UHFFFAOYSA-N 412.494 0.827 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 552384098 RXTTVXFYQAHCBY-FQEVSTJZSA-N 414.506 0.714 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CN1C1CC1 554695093 UFNZYAZDALQAIV-DKSSEZFCSA-N 409.490 0.517 30 20 HCED C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@H](C(N)=O)C1 555241055 YBUKWKRJZNXPMO-HNNXBMFYSA-N 405.480 0.615 30 20 HCED Cc1ccc(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 558301081 PYCRFTLMYFEZQL-AWEZNQCLSA-N 413.521 0.694 30 20 HCED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 562899718 VONODNUOHUPXOD-RBUKOAKNSA-N 411.506 0.623 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(N)=O 570180389 GCKTUQSPSSAQTG-LLVKDONJSA-N 417.462 0.661 30 20 HCED N#Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ncn1 570466560 RXGZCZGNDASKIG-UHFFFAOYSA-N 400.420 0.190 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2cnccc2C#N)CC1 573232133 TUHMALXGUWOULX-UHFFFAOYSA-N 405.466 0.871 30 20 HCED CNC(=O)C1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 573957387 VCZDOHHTFYSIIW-UHFFFAOYSA-N 402.451 0.943 30 20 HCED COc1ccc(CCNS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(N)(=O)=O 574233728 NIFZOOAZURDYOS-UHFFFAOYSA-N 409.489 0.876 30 20 HCED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 582174822 HEYHFBLWURUSJT-CYBMUJFWSA-N 421.397 0.729 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 582812893 BARRCCUYSMGFFM-CYBMUJFWSA-N 401.419 0.897 30 20 HCED CCOc1ccc(NC(=O)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 619832974 GBQBIUFSBNGXMZ-UHFFFAOYSA-N 424.479 0.417 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)NCc3ccccn3)c2)C1=O 624869262 DLYWQYQXNOVOGH-UHFFFAOYSA-N 421.413 0.927 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCCc2c(F)cccc2F)C1=O 726041957 ACLDNJQAVJMMLN-UHFFFAOYSA-N 409.345 0.144 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O 726042643 KSMZEJUPHIVDOT-LQZXRHCMSA-N 418.450 0.826 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(O)c3c(C)c(C)sc3n2)CC1 728531107 CABLVDZASRCODI-UHFFFAOYSA-N 415.519 0.840 30 20 HCED C[C@H]1CN(C[C@@H]2CCCN2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 732467533 YZJZLXXSZRWYAQ-IZYPFPKKSA-N 405.499 0.796 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795485 JZAZQJJERIJVNE-UHFFFAOYSA-N 415.519 0.459 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 733149552 KEDKCBJFTJNKHI-QZTJIDSGSA-N 413.522 0.593 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 733770379 HJWJCGLOHHJRLO-AWEZNQCLSA-N 410.434 0.431 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 735923639 VDJMAILNPFKZFS-UHFFFAOYSA-N 410.452 0.049 30 20 HCED C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741098836 NYXFNQBMDSSRDH-QMYXSJSUSA-N 424.523 0.961 30 20 HCED N#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 743582444 BFFHCOJJAVIXEY-UHFFFAOYSA-N 419.463 0.934 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCOC)c2=O)cn1 743725799 ZWVJKDDPJKKKLV-UHFFFAOYSA-N 418.519 0.517 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 751405894 NWBHGXSDWAKBEX-UHFFFAOYSA-N 407.467 0.868 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 754378441 FNQDMJVNLJTTIY-CQSZACIVSA-N 408.480 0.848 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)COCC3)[C@H](C#N)C1 755533956 DSIZCKKZPFJKDS-CZUORRHYSA-N 415.450 0.968 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)cc1C#N 757224352 HKXDVUMTSYMNSJ-HNNXBMFYSA-N 400.395 0.648 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 758771268 NOYSHEWAJIARNH-HIFRSBDPSA-N 402.455 0.607 30 20 HCED CC(C)N1CCC(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 771548513 WUCAGJGWWFPVJQ-VXPUYCOJSA-N 418.542 0.713 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)cc1 774389808 FLAQTBGVIUJCCM-QQMSSZGESA-N 422.507 0.858 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1 783351122 UKDHBWBWHMNBPS-UHFFFAOYSA-N 410.481 0.040 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)CC(C)(C)C#N)s1 786480426 WWVPAMWGQIKLLG-UHFFFAOYSA-N 407.539 0.975 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)N[C@H](C)COC)c1 787504868 CYYMDZXBILQWJT-GFCCVEGCSA-N 413.452 0.168 30 20 HCED COc1ccccc1N(CCC(N)=O)C(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798744538 UJGNAFZLCUMSQA-LBPRGKRZSA-N 400.395 0.171 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c1 800659402 WJVZEZHFXYIDSM-UHFFFAOYSA-N 420.491 0.944 30 20 HCED N#Cc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl 801070117 CCPIDPCTXKUDAJ-CYBMUJFWSA-N 408.867 0.993 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1 805274870 FJMXRRUCPYIZAM-QWRGUYRKSA-N 403.530 0.964 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)c1cc(O)cc(C#N)c1 811188703 VCQNQHXMVHYZMS-UHFFFAOYSA-N 405.388 0.715 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 814180640 NRASOWADNPJRQP-KBXCAEBGSA-N 416.478 0.648 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 814550912 XDPZDCDYYWXMNW-GOSISDBHSA-N 418.471 0.763 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 815439179 FWKFJRUQQVSKEU-VQFNDLOPSA-N 404.511 0.383 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=N)N2CCN(c3ncccn3)CC2)C1 849081917 PWTNVLSHVZCJSW-LSDHHAIUSA-N 400.487 0.882 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(=O)NCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1001779554 MAYBPJRBMWFNBJ-NRKBZLAMSA-N 417.506 0.178 30 20 HCED Cn1nccc1[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1140896751 YZJNZOSIKQBUKG-YOEHRIQHSA-N 403.464 0.607 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)C2)nc1 1251759222 KXHADLJZIMUYMT-SFHVURJKSA-N 415.494 0.997 30 20 HCED N#Cc1cn(CC(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c(=O)nc1O 1292293365 TVMUUYRTRDRAFS-UHFFFAOYSA-N 422.445 0.746 30 20 HCED N#C[C@@H]1CN(C(=O)c2oc(C(=O)N3CCO[C@@H](C#N)C3)cc2Br)CCO1 1321469112 CZERSLFSEQRRHF-WDEREUQCSA-N 423.223 0.771 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1541803873 NMAVPFOLFCSUOT-CABCVRRESA-N 412.585 0.967 30 20 HCED CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1630427212 KXZDDKDLVFMVSD-YJYMSZOUSA-N 403.439 0.726 30 20 HCED N#Cc1cn(CCC(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)c(=O)nc1O 1636115838 SHQQFIBXURBYIY-ZIAGYGMSSA-N 404.448 0.623 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](N4CCOCC4)CC3)CC2)o1 1645610085 WQMRHYMXNLPHJM-GOSISDBHSA-N 416.526 0.690 30 20 HCED 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HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 465417998 SAYALTRSLUGBJK-CQSZACIVSA-N 421.461 0.726 30 20 HCED CCN(CCO)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 469640966 IRVMGTZQXQNQPA-UHFFFAOYSA-N 404.858 0.766 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 472939084 YMSMFWXYFHCMJA-VLIAUNLRSA-N 410.434 0.792 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 474791467 IGVZDIKXTVASIG-HZPDHXFCSA-N 407.540 0.367 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c(C#N)cn1CCOC 481443014 XQAFWMRSQQATQU-STQMWFEESA-N 407.427 0.337 30 20 HCED Cc1nc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 481766232 VJBXAIXMBXMAGN-CYBMUJFWSA-N 418.479 0.261 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 484437077 ANAJZXAOFPBPHV-INIZCTEOSA-N 410.434 0.938 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](O)COC)nnc12 498587929 JUSACLWAUNXZAK-CYBMUJFWSA-N 417.491 0.836 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](CNC(C)=O)C1 508460855 GBEKVMGRAGRIDO-OAHLLOKOSA-N 423.477 0.719 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC#CCO 510039190 FCQSXGBPIBWTBI-AWEZNQCLSA-N 403.298 0.864 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C2CC2)c1=O 512790590 OYJBHCRKQOXENH-OAHLLOKOSA-N 413.503 0.259 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2)c1 516015302 GPRJVJUKJLLNND-UHFFFAOYSA-N 419.445 0.770 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 516109338 BHEVKBASWGTADV-QGZVFWFLSA-N 408.462 0.558 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)C1=O 517345547 FSORSMFQIJCMKZ-CQSZACIVSA-N 400.435 0.995 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(Br)cc2)C1=O 523027676 WCCKXXYRNXOPEF-UHFFFAOYSA-N 410.224 0.921 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)cc1 523054521 BEDXHEPNCULNAU-UHFFFAOYSA-N 403.439 0.250 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 524615174 JEBJDKPGFVPJFU-UHFFFAOYSA-N 419.507 0.932 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)C(=O)NC[C@@H](C)C#N)c1 540313017 BXVGILUCSHESSV-ZDUSSCGKSA-N 409.512 0.997 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 541713680 UKLWKLCQMOHROB-UHFFFAOYSA-N 424.527 0.626 30 20 HCED CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548370281 JZEJSFYRMBKLRN-UHFFFAOYSA-N 411.465 0.322 30 20 HCED CC(C)(C)c1csc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1C#N 550666380 DYEYPUNVETXBPW-LLVKDONJSA-N 413.521 0.864 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 550729488 QWUNYWNKOVJNHF-UHFFFAOYSA-N 406.446 0.278 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 556234454 YVHUCTCAPCEVNH-UHFFFAOYSA-N 419.441 0.513 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 557731176 AYKOLDQATVMDSL-SFHVURJKSA-N 419.595 0.919 30 20 HCED C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)c1ccc(C#N)cc1 559715162 LDNYFHGKBWYCBE-ZDUSSCGKSA-N 410.521 0.230 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@]2(CCCOC2)O1 568453799 IISQGMJGIRDNLY-VBKZILBWSA-N 410.434 0.874 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CC2 569465226 NGZNZMZZWCIOGL-OALUTQOASA-N 421.505 0.502 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCc3cn(CCOC)nc32)C1=O 582089464 GNQGVEQNIYBGJN-JKSUJKDBSA-N 403.483 0.268 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)cc1 588107843 MFNIIFUUGGENJA-LJQANCHMSA-N 400.479 0.372 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C)c2=O)c1 603993436 WVDZSLWOZDANEE-UHFFFAOYSA-N 415.515 0.891 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 604030628 UEDVNXGBPIREKP-UHFFFAOYSA-N 423.495 0.675 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CCO1 609943817 CIPCQHOBYKAGCX-ZDUSSCGKSA-N 412.402 0.595 30 20 HCED COCCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610798178 SDTSAKCYWKDLAA-CQSZACIVSA-N 422.507 0.226 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 615214071 JVYGWHWJLUEBCG-INIZCTEOSA-N 414.510 0.644 30 20 HCED NC(=NOCC(=O)N1CCN(C(=O)C2CC2)CC1)c1cccnc1N1CCCCC1 729674049 HJYYKGKBEXSVEV-UHFFFAOYSA-N 414.510 0.790 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCCN3C(=O)CNC3=O)ccc2c1=O 731008597 JZASTPRPKPCKOZ-UHFFFAOYSA-N 401.448 0.543 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC3CCN(CC#N)CC3)C2=O)cc1 742186377 IPMUHFQVFKSKDT-OAQYLSRUSA-N 413.478 0.814 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cn1 746364053 MDPBOGUAIGWRIG-UHFFFAOYSA-N 419.445 0.740 30 20 HCED CC[C@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 756196234 RTDIKGIAPDWANM-PFKVCDDJSA-N 424.523 0.963 30 20 HCED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O 756453799 AUPAYHSEGDLNQH-OALUTQOASA-N 408.422 0.238 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2ccnn2C)c1=O 758041690 YONLBVGOQVWNKR-UHFFFAOYSA-N 404.451 0.671 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 761061687 ODVFLKLVDWDJTL-ZDUSSCGKSA-N 401.427 0.997 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2=O)n(C)n1 761142004 KIHCHHHZJICSFB-CQSZACIVSA-N 414.397 0.630 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3CCC(CO)CC3)cc2)CC1 764992843 IIVFLUHKJYYEOI-UHFFFAOYSA-N 412.534 0.398 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cncs2)c1=O 767871908 JIAGHDCLJZVUQJ-UHFFFAOYSA-N 406.533 0.822 30 20 HCED CN(C)S(=O)(=O)CCC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 772276815 OCZUWHSMQFJACQ-UHFFFAOYSA-N 405.436 0.507 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)C1=O 776512169 PZYOACWJHLQERQ-CHWSQXEVSA-N 408.455 0.820 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3ccn(C)c(=O)c3c2)n1 793069827 SZGXAHCKISZRGG-UHFFFAOYSA-N 421.457 0.982 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 798984834 GRBMIEVUSASZCW-LLVKDONJSA-N 405.459 0.924 30 20 HCED C#CCN(CC#N)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 799201734 WGUBXEUQXRZRSH-UHFFFAOYSA-N 424.461 0.018 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 799286535 IGMCZINNVSIGBY-ZDUSSCGKSA-N 416.883 0.592 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 802628031 JBFNTBGGFKSCIP-UHFFFAOYSA-N 406.464 0.554 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 807338924 PCCZQQCSPDNBKA-GOSISDBHSA-N 423.473 0.431 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 816774342 UQBVGVWZEVPDIU-FUHWJXTLSA-N 402.476 0.982 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 816994086 FICRJCOCRQQAPP-SFHVURJKSA-N 403.446 0.722 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)[C@@H](C)O)cc1 819551697 JCDVIWWCUBMEKQ-CXAGYDPISA-N 421.475 0.458 30 20 HCED COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 843480261 GKSUMESICUVZKZ-KZULUSFZSA-N 409.464 0.714 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOCC1 912518202 DDJYBQVNDIQGNG-QGZVFWFLSA-N 422.551 0.978 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCC(=O)N3CCOCC3)ccc2c1=O 913476920 OPNSCNHECWMFAQ-UHFFFAOYSA-N 402.476 0.850 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 916953403 SNTSYHOHALUTMT-OAHLLOKOSA-N 400.416 0.840 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)C3CCCCC3)CC2)c1=O 921187828 ZXLIZWCJUQBVSG-UHFFFAOYSA-N 417.510 0.226 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)[nH]1 990851826 FYYKNSJJLNFYQH-CFDVNRPPSA-N 407.434 0.083 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cn(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 994719667 IJVVCCFXSTTYOU-IZGRHMBUSA-N 413.478 0.292 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)c(C)nn(C)c1=O 1006387245 CVPYRWNTTGXQRS-MTSZKFMLSA-N 400.479 0.850 30 20 HCED CCO[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CNc1cnc(C#N)cn1 1048013074 ZDSYGRZCZVLLBP-FYOCZVBXSA-N 401.467 0.675 30 20 HCED COc1ccc(C(=O)Nc2c(C#N)c(C)nn2C)cc1S(=O)(=O)N1CCOCC1 1130755913 INIIIOIAECNXJA-UHFFFAOYSA-N 419.463 0.882 30 20 HCED CC(C)SCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1303575129 SCWLOWXGWNKGSM-OLZOCXBDSA-N 402.546 0.759 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)cn1C 1307527460 LAYABNMTFZWAJI-KRWDZBQOSA-N 419.507 0.346 30 20 HCED C[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC(=O)N1 1312827342 OUORGIKPZGXMJV-GOSISDBHSA-N 405.480 0.243 30 20 HCED COc1ccc(OC)c2c1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C[C@H]2O 1322603640 XDBKHHWSFWKEOV-ATQAJOFPSA-N 401.419 0.996 30 20 HCED Cc1c(Br)c(C)n(NC(=O)Cn2nc3n(c2=O)CCCC3)c(=O)c1C#N 1472554370 IMZRTTHTJCBNGP-UHFFFAOYSA-N 421.255 0.564 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(C(N)=O)CCOCC1 1541654872 LMILUHNRCFRZEY-UHFFFAOYSA-N 417.514 0.828 30 20 HCED CC(C)NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1556977628 YWFFKSGPSGINOO-MRXNPFEDSA-N 423.514 0.911 30 20 HCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC(=O)N1C 1612978850 ZYMAWHLNJTXCIP-AWEZNQCLSA-N 411.466 0.484 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)Cc1cnc[nH]1 1632650487 JRLABPOEDDDBFP-HOCLYGCPSA-N 419.507 0.583 30 20 HCED NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1638067836 WIYQPSVWYZELGI-FQEVSTJZSA-N 412.471 0.381 30 20 HCED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1695797452 MEDINQAZKAVBNF-MRXNPFEDSA-N 421.465 0.428 30 20 HCED C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1)N(C)C 1741835259 XVXHKILOWDKAFZ-QGZVFWFLSA-N 424.553 0.977 30 20 HCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1748344370 FBNYWPVAHDEQSC-FQEVSTJZSA-N 412.450 0.857 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1778509874 SHIOIRISPJEBLY-LXHZQTKUSA-N 423.473 0.865 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778714558 VQLFXULLFYKVQP-JEOXALJRSA-N 403.460 0.583 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1779020662 VPOPSIZMYVLOHP-XOWGOQOESA-N 416.526 0.898 30 20 HCED Cc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066147 FCXLAAXEOSANQB-JOCHJYFZSA-N 412.490 0.927 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780120129 PZTUCPBKFYJLGD-SIXWZSSISA-N 408.524 0.852 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc(Cl)cn4)CCO3)C2)c1 1780332989 MWVZFVNAENQAAU-SFHVURJKSA-N 402.842 0.880 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)CCO2 1783055720 WHRVREDZNPPMRN-AVYPCKFXSA-N 409.458 0.797 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CC(=O)C2)C1 1783152451 WCOVGBUOOPIWLO-DYESRHJHSA-N 406.479 0.989 30 20 HCED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)C(C)(C)NCCC#N)CCO3)C2)CC1 1783213442 DRJKDODHZFEYDA-IBGZPJMESA-N 406.483 0.051 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3snnc3C)C[C@@H]21 1783530921 VCPVNTLSFUHKIO-VMPYYGSESA-N 419.507 0.298 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604828 KLQYKCTXNISRLZ-MUGJNUQGSA-N 424.501 0.701 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1784198803 XLXWTWZGZIAGPZ-FQEVSTJZSA-N 400.435 0.812 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1784392027 CDLWODHHPPZWSV-QGZVFWFLSA-N 401.452 0.240 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c(CC)c3F)C[C@@H]21 1784478889 OBQGCPWUQHMSLV-YXWQFLTLSA-N 406.458 0.743 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC)[C@H]2C1 1784792935 ZABKLZRIYNRGIA-IMPIEMTGSA-N 423.510 0.528 30 20 HCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]2C1 1786885563 CXXNPDVOVSIUIE-FJIDUMEYSA-N 406.527 0.327 30 20 HCED COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)n1 1787749827 YJGDRXYIGXJEAD-OBJOEFQTSA-N 403.395 0.505 30 20 HCED 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CC(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835668198 YNSRSLQGXPJLDE-FQEVSTJZSA-N 410.515 0.150 30 20 HCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1Cl 1836227421 ZIDUOBWGRRZFFX-SFHVURJKSA-N 409.874 0.999 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1837391564 SJBIKLNRGIJISV-XGHQBKJUSA-N 424.538 0.567 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1837395091 OZOLDOHBOQOHHY-YWZLYKJASA-N 406.483 0.063 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837446803 GIQYRQUFPLQGIK-XOWGOQOESA-N 422.526 0.220 30 20 HCED Cn1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)n1 1838906224 ZSXZVASGKPYLSC-JOCHJYFZSA-N 423.473 0.604 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839226773 CXJRTLFCXHYJET-LIRRHRJNSA-N 421.454 0.053 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)cc1 1839722505 XFOCIYJHGXWFKG-JOCHJYFZSA-N 423.473 0.788 30 20 HCED 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C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)C1=O 440273054 OCZAVZWCYDBUQS-OAHLLOKOSA-N 412.450 0.986 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)nn1CCC#N 441661474 JITIGMBMDDPBAN-INIZCTEOSA-N 414.853 1.397 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)n1 444583384 RQJVHPLREVNVAD-GFCCVEGCSA-N 400.826 1.310 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)n2)cc1 445162332 GQCIWUOWYQBVJM-UHFFFAOYSA-N 421.461 0.607 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 461360029 KVWAKQLUWIQMQG-MRXNPFEDSA-N 417.491 0.810 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCS(=O)(=O)NCC2CCC2)c1 476438675 SAFKYHOFFJHQJB-SFHVURJKSA-N 418.519 0.885 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(-c2ccncc2)no1 480118336 OIYMIDRQQRPALT-GFCCVEGCSA-N 412.431 0.986 30 20 HCED CN(CC(=O)N1CCC(NC(=O)C2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 495303265 DXHHSKKXTJJIDP-UHFFFAOYSA-N 404.492 0.696 30 20 HCED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 498697828 VOAQMKPCPPNXMT-AWEZNQCLSA-N 423.429 0.736 30 20 HCED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 501426367 ILQINWRCNSZIMJ-NSHDSACASA-N 400.254 0.905 30 20 HCED Cc1cc(NC(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nn1CCC#N 505082033 PKNVXIDDGOADRC-QKKBWIMNSA-N 417.429 0.916 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C 505711164 SXWXSDIVNSTBJH-UHFFFAOYSA-N 421.320 0.880 30 20 HCED C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508496995 IKLVKTMWGABIKK-INIZCTEOSA-N 423.477 0.480 30 20 HCED C=CCN1CC[C@H](N(C)c2cc(N(C)[C@@H]3CCN(CC=C)C3=O)n3ncnc3n2)C1=O 513055478 AGIVNBLPCKBSMZ-JKSUJKDBSA-N 424.509 0.571 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1-n1cnnn1 517337121 MRXPWMBXSBCOPO-UHFFFAOYSA-N 417.433 0.525 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)ccc1C(=O)NC(C)C 521778449 FDQDZLIFKHCPBT-UHFFFAOYSA-N 411.466 0.998 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[S@@]1=O 533288676 VOCLHUDNCMYTSN-MMEWPQADSA-N 417.491 0.908 30 20 HCED N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 535550560 ZYYFWXYSXQJJDV-UHFFFAOYSA-N 407.471 0.788 30 20 HCED C=CCOc1ccc(CNC(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 553898757 CSTXAMZTYDZEEM-ZBFHGGJFSA-N 409.508 0.990 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)C2 555898133 QJMVSZQQKYWOTK-INIZCTEOSA-N 405.462 0.374 30 20 HCED COCC1(O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 558041467 PGLVSCGILPAPPI-MRXNPFEDSA-N 418.469 0.782 30 20 HCED COC(=O)CCNC(=O)Cn1cc(I)c(C)c(C#N)c1=O 566380460 DAHFCVMJZRVIAS-UHFFFAOYSA-N 403.176 0.312 30 20 HCED CN1CCN(CCCCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571711277 ZHXPMQNTORRDSG-HXUWFJFHSA-N 412.538 0.986 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2=O)n1 576411197 ODZROUDXGUWCFR-MRXNPFEDSA-N 408.466 0.714 30 20 HCED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 582465829 XODFAGKNCBMPMG-UHFFFAOYSA-N 413.455 0.982 30 20 HCED CC(C)N[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588870154 XIEHUTKMPQBJHC-MOPGFXCFSA-N 411.506 0.764 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)c1 609931446 RPLLAMQBTVEHTK-UHFFFAOYSA-N 424.465 0.363 30 20 HCED COCCN(CCC#N)C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 610987917 PVUZZIZTUFGTSS-UHFFFAOYSA-N 402.498 0.051 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 618852981 ZALBUUACSSQCCJ-KRWDZBQOSA-N 409.446 0.548 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 684760226 LGFJOWDDERUYTD-UHFFFAOYSA-N 402.494 0.670 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1=O 726043209 SMHHJRMOQSLJRF-LLVKDONJSA-N 419.390 0.509 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)N(C)C)ccc1F 727382983 RDVPZNRFGWCAGA-ZDUSSCGKSA-N 401.485 0.893 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 728608935 YECGCGYIZODZHO-UHFFFAOYSA-N 409.446 0.355 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)nc1 729013115 YCSCUEZNPHGBGA-UHFFFAOYSA-N 405.418 0.245 30 20 HCED Cc1nc(CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)oc1C 729250735 RWMOIQHAYSWAIO-UHFFFAOYSA-N 417.491 0.674 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733564329 IRXDBSKVPGITPO-NSHDSACASA-N 418.431 0.841 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735002225 HBHBIVRTXMRXKS-HKWRFOASSA-N 419.463 0.149 30 20 HCED CC[C@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 739122714 QASNXHGHQDLIET-QIAIEURZSA-N 410.496 0.979 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(O)CCC3(CC2)OCCO3)c1 746442188 NSRXVUZRVMQRLP-UHFFFAOYSA-N 408.476 0.376 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1N1CCOC1=O 746784084 ZTLUUHHNSZZYLC-UHFFFAOYSA-N 411.422 0.816 30 20 HCED C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 752849190 SXNLUJQDDZJKEJ-IRXDYDNUSA-N 407.540 0.505 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(F)c(F)cc2F)c1=O 758050304 QCZVGDQRCSCHKE-UHFFFAOYSA-N 405.401 0.988 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(S(C)(=O)=O)CC2)[C@H](C#N)C1 758759234 KTAQSWZTYUOXGZ-TZMCWYRMSA-N 400.501 0.964 30 20 HCED CC(C)N1CCC(O)(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 760897091 BBTSMAKWXUBGRU-UHFFFAOYSA-N 422.551 0.857 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 761033106 QYDRSUBDPYSQFP-UHFFFAOYSA-N 409.468 0.317 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 762703616 CXLVZIUBVSPLNW-OAHLLOKOSA-N 411.418 0.879 30 20 HCED C[C@H](CC(=O)OCC1(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 767646202 LKDSPUFHPNEKFH-GFCCVEGCSA-N 414.505 0.872 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1CC(C)C 774510929 HTERBOMQDPMJTI-UHFFFAOYSA-N 424.526 0.724 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 777515738 ZOAHXBMTRTYDPF-UHFFFAOYSA-N 400.888 0.554 30 20 HCED CCOC(=O)c1cc(F)cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 778624325 YBRQPWNDKRFFSM-FOCLMDBBSA-N 411.411 0.807 30 20 HCED N#Cc1ccc([C@@H](O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 780909453 PFJWMKPVVXOSIY-MRXNPFEDSA-N 404.404 0.595 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 783475943 SHRHEFXGXYMGNK-HNNXBMFYSA-N 403.460 0.933 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 783542187 QBUQWJANJIUORZ-QGZVFWFLSA-N 414.549 0.945 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(C(=O)OC)CC1 784683744 ICNDSPQGZBCCFK-UHFFFAOYSA-N 404.423 0.869 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785187780 MDSKUWNLPIOXCU-UHFFFAOYSA-N 413.438 0.363 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785660454 GHCDSHLDGPESIT-CQSZACIVSA-N 406.464 0.282 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)nc1 786984448 IADCQGSGUXPUMI-UHFFFAOYSA-N 422.371 0.518 30 20 HCED C[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 787721664 NVHPORMPLQDDBM-OLZOCXBDSA-N 418.475 0.998 30 20 HCED CC(C)(C#N)CS(=O)(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 790020673 ZPQNZUJXDSHEBO-UHFFFAOYSA-N 413.521 0.727 30 20 HCED Cc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1C#N 799547374 RCTLPIAUWCVABR-KRWDZBQOSA-N 405.476 0.355 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC[S@@](=O)Cc1ccccc1 805402485 AOAIJUUQHQYLAD-GDLZYMKVSA-N 416.507 0.320 30 20 HCED C#CCN1CCN(C(=O)C[C@H](CC(C)(C)C)C(=O)N2CCN(CC#C)CC2)CC1 809628576 ZHTBVJHKZMWOML-HXUWFJFHSA-N 400.567 0.984 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 810772821 GOTNQAYAHNTPDO-JTQLQIEISA-N 403.438 0.509 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CCOC)C(=O)O 811822837 IJIJLGCYAPLVNK-UONOGXRCSA-N 411.480 0.890 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 815457958 WVDSFJAXHGEZDM-UHFFFAOYSA-N 402.455 0.561 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCNC2=O)C1 1118556491 XDSXBFUMFQBILO-ZIAGYGMSSA-N 411.532 0.458 30 20 HCED CN(Cc1nnc2n1CCNC2=O)C(=O)CCC(=O)N(CCC#N)c1ccccc1 1155168062 XGVDMVKFWGCUBJ-UHFFFAOYSA-N 409.450 0.707 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1213440886 SQMVENHTHZDQED-UHFFFAOYSA-N 420.516 0.977 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1253115982 KWJMLDOGFXNPBQ-MJGOQNOKSA-N 409.490 0.676 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1301041018 IUUNCHFKEXJWDB-AWEZNQCLSA-N 403.936 0.701 30 20 HCED C[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)N1CCN(c2ccccc2)CC1 1464202378 UXAPCJIBBUDTHI-INIZCTEOSA-N 410.478 0.538 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCc2ccnc(C#N)c2)s1 1464837727 LXIOHBWPUSYUSE-UHFFFAOYSA-N 414.534 0.975 30 20 HCED CS(=O)(=O)N1CC[C@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 1469402591 RPLWWLBKBFTBEE-PCKAHOCUSA-N 407.496 0.976 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1 1477413200 MDVOEXAXPBZEPR-UHFFFAOYSA-N 400.483 0.822 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC2CCS(=O)(=O)CC2)CCO1 1505322591 QSOMXQIYYONZMA-AWEZNQCLSA-N 403.468 0.289 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)n1 1511138294 IHBKFODJUSBYEE-INIZCTEOSA-N 411.466 0.626 30 20 HCED CCOC(=O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1538385291 NUYVEYKGHGXRRO-LLVKDONJSA-N 407.370 0.725 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539775327 KXTZKBXCCMPCTE-NWDGAFQWSA-N 417.923 0.197 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1541879010 MZKPRMLSSLAVET-OXJNMPFZSA-N 419.505 0.924 30 20 HCED CC(C)N1CCC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CC1 1608060215 PWJBBCMWXRYINY-UHFFFAOYSA-N 423.521 0.988 30 20 HCED C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1611551409 NLMRMQHJVBZPHW-RDJZCZTQSA-N 423.525 0.773 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)CCOC1 1616263937 RZCVQEIXHBTKNI-XLIONFOSSA-N 420.514 0.381 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)C1 1620347517 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1780347574 OWEHAJHPINAVLZ-YLJYHZDGSA-N 419.503 0.730 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1780973813 GMEAYNCGLYXUCK-SJLPKXTDSA-N 407.264 0.946 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCN(C)C(C)=O)CCO2)C1 1781265899 WARWNRFZGMJRSH-FQEVSTJZSA-N 409.483 0.194 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1781269435 RVKKUMYNTMHZOK-FQEVSTJZSA-N 423.466 0.168 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1781397963 HRQKGOOMUFZLKP-RKVPGOIHSA-N 415.512 0.194 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)CN(CC)CC)C2)C1 1782686023 GQHWHJTVVAUIMZ-YYNCDVECSA-N 420.554 0.653 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782958141 BROYOSLKKWCKGL-XLIONFOSSA-N 417.487 0.579 30 20 HCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CCNC(=O)C2)C3)CCC1 1783127968 XMOQRQIPJVSZOH-GCKMJXCFSA-N 402.495 0.720 30 20 HCED 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SJULAZOLRMSVEM-JHVJFLLYSA-N 400.527 0.609 30 20 HCED CCc1nn(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c(=O)c(C#N)c1CC 111135392 TXUIYSPXQKVVOS-UHFFFAOYSA-N 413.463 0.667 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCc3ccc(S(N)(=O)=O)cc3)NC[C@@H]2C1 304991363 DFJSRYIWUSMOSY-OAHLLOKOSA-N 423.539 0.757 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CCO1 409507799 BDDPWHAHERPRRW-QGZVFWFLSA-N 401.492 0.953 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 409530948 VJKZOTVPLCEJSU-HNNXBMFYSA-N 400.526 0.470 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O 410154061 HXIBLJINRVEVKK-AWEZNQCLSA-N 402.904 0.680 30 20 HCED C=CCN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 436418618 AGZLMPYCNLJPDY-AEFFLSMTSA-N 411.499 0.716 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C 439180050 QUJAXBOEQLPIMC-UHFFFAOYSA-N 417.385 1.470 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)n2)cc1 440130355 YLLSEQVAZZKAMR-UONOGXRCSA-N 422.367 1.051 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 443078914 OZNHVONZHNVVBO-LBPRGKRZSA-N 421.928 0.978 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 463388423 GTKHGISCPVSRRX-HZPDHXFCSA-N 415.537 0.741 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)nc1 474351478 KGYVTUAVNYFKBE-UHFFFAOYSA-N 412.515 0.631 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(CC(F)(F)F)c3)CC2)c1 475201590 GTUOOWCXRDSOBQ-UHFFFAOYSA-N 407.356 0.999 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1[N+](=O)[O-] 479526803 LSYCYNATJOSMOG-UHFFFAOYSA-N 419.419 0.950 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cnccn2)CC1 480109946 PDOMTCNPHULNPI-CQSZACIVSA-N 400.464 0.364 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 481260437 UFFCLYSASHFPMY-LRDDRELGSA-N 422.532 0.747 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC3CC3)CC2)cc1 488270320 GGUIOBDLOGBDHY-UHFFFAOYSA-N 405.480 0.100 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 495257810 WPQPQVWZYOBRCW-UHFFFAOYSA-N 402.432 0.600 30 20 HCED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)C2=O)cc1 504060510 GTXICQVHARDEDW-QGZVFWFLSA-N 424.461 0.970 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 505157628 CEBOZRBHXSUUFM-QGZVFWFLSA-N 423.477 0.567 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 505713183 HONVKHNJGGWCQL-ZBFHGGJFSA-N 402.480 0.755 30 20 HCED CCCc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cnn1-c1cc(C)ccn1 508322863 CPPWCGOZIUHNRN-UHFFFAOYSA-N 407.438 0.746 30 20 HCED COC(=O)CSCc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508355748 CHQITYFCUNKKNC-UHFFFAOYSA-N 402.436 0.311 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CCOC)C(=O)C1 509447397 IKLLAQAWEANFSO-UHFFFAOYSA-N 405.499 0.742 30 20 HCED CN(CCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 510432263 VWOQWWYGZYPDOM-IBGZPJMESA-N 407.540 0.205 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 512623574 GCCZQIZEXCNCND-MSOLQXFVSA-N 405.524 0.830 30 20 HCED COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1 515264657 YHMKEJJOGQIVFR-UHFFFAOYSA-N 404.814 0.991 30 20 HCED CCCN1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 517615470 FSAOFVOFVBGTAJ-RBUKOAKNSA-N 411.506 0.623 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2(C#N)CCN(C)CC2)C1 520246609 YMXJYCMZHUVXIF-OAHLLOKOSA-N 408.528 0.531 30 20 HCED NC(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 523118473 OQNFZJOMWFWVMS-HXUWFJFHSA-N 419.485 0.876 30 20 HCED C=CCn1c(C)cc(C(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1C 531494000 BELMMXDZWCGWHC-UHFFFAOYSA-N 402.495 0.477 30 20 HCED C=CCN(Cc1nc2c(c(O)nc(=O)n2CCCC)n1C)[C@@H]1CCS(=O)(=O)C1 533388003 XGNFPVKBTAXBAP-CYBMUJFWSA-N 409.512 0.811 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)nc1 534099938 MSKYQEZBQMAVEY-UHFFFAOYSA-N 418.417 0.216 30 20 HCED CCOC(=O)c1cnn(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)c1C#N 541834230 DADCBQMHJKRXPQ-UHFFFAOYSA-N 407.408 0.226 30 20 HCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546903554 KEMLRKATPUCXQZ-UHFFFAOYSA-N 417.433 0.525 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 549378030 SAFVRBIHQHXGMI-UHFFFAOYSA-N 406.464 0.532 30 20 HCED Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 550750589 JNMDRBYXWWZPHW-UHFFFAOYSA-N 407.430 0.950 30 20 HCED Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551009562 PDSSPKCHGSGXMW-MSOLQXFVSA-N 420.473 0.703 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 552551040 YSVRYLQSFQRTLM-DZGCQCFKSA-N 414.491 1.003 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCc2nnnn2-c2ccccc2)n1 555258348 JYBKDEVAWBHTIQ-UHFFFAOYSA-N 407.438 0.783 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)cnn1-c1cccc(C#N)c1 560209598 PNDZNJLLJPYJBK-QGZVFWFLSA-N 413.434 0.939 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 567019329 CETAXBZDDHQFLV-APWZRJJASA-N 400.479 0.513 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1 573720499 OTIBVJXNUFIAGK-MRXNPFEDSA-N 422.507 0.460 30 20 HCED Cc1nsc(N2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)c1C#N 574202892 LUNIEEVXHWNEMJ-OAHLLOKOSA-N 404.540 0.962 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 577271303 FEYAOFYXLMYEMV-IBGZPJMESA-N 411.506 0.776 30 20 HCED N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)ccc1Br 584008391 OZIGSDDASKGWQT-LLVKDONJSA-N 400.254 0.953 30 20 HCED CCCN(C(=O)[C@@H](C)N1CCN(c2cnccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 590013979 PIAXDRNKURSSIO-SJLPKXTDSA-N 419.551 0.889 30 20 HCED Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1S(=O)(=O)NCC#N 609414535 WVUCMORRXLYXLO-DLBZAZTESA-N 406.508 0.468 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1 728530393 CEIDKMGBVXCPBE-UHFFFAOYSA-N 401.492 0.813 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CC1 728532390 YHXOWCKPXBISRJ-QGZVFWFLSA-N 406.433 0.426 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 729257636 KPMSSMSIZPNGMK-HXUWFJFHSA-N 424.501 0.591 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(c2ccccc2)CC1 732446079 WQYOMTSEFIIQPZ-FMQUCBEESA-N 412.494 0.634 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCCSC 732562851 LFVJARQTXSGZSE-UHFFFAOYSA-N 419.576 0.909 30 20 HCED Cn1cc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O 735033391 FZIKQXYQHCFFSG-UHFFFAOYSA-N 410.390 0.166 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 740518135 AKKLFEVENPLCNZ-UHFFFAOYSA-N 415.519 0.561 30 20 HCED C[C@@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)/N=C1/NS(=O)(=O)c2ccccc21 749080148 RCCFONYRQNAESC-JTQLQIEISA-N 408.396 0.247 30 20 HCED CC[C@H](C#N)Oc1cc(CNS(=O)(=O)CCNS(=O)(=O)CC)ccc1OC 756174746 JSDWHZCBCQRKOJ-CQSZACIVSA-N 419.525 0.735 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 758613441 CVGMJWBJKIXUKW-KGLIPLIRSA-N 400.501 0.869 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758642116 ODZOUVQDGSSFPD-MCIONIFRSA-N 416.500 0.607 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CC1 761036819 KTAPJQWMKCYHNA-UHFFFAOYSA-N 420.539 0.096 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc3ccc(F)cc3s2)CC1 761037334 PFLFNLXGKYZBBP-UHFFFAOYSA-N 411.484 0.459 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762295825 MUVQNWGVGIIKMD-DYVFJYSZSA-N 403.464 0.559 30 20 HCED C[C@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 763002857 BOHUVNOFCWTVMP-WREBDXAUSA-N 406.468 0.783 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 764294569 JKQRASIWEJMEME-CQSZACIVSA-N 422.463 0.095 30 20 HCED COc1ccc(N2CCN(C(=O)CN(CCC#N)CCN3CCOCC3)CC2)cc1 764939004 JIMAAHLPVILJLT-UHFFFAOYSA-N 415.538 0.892 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC1CC1 767678268 XVGMVMMDXDOHAP-MNOVXSKESA-N 408.436 0.145 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@H](O)c3nccn3C)CC2)CC1 774704478 PCBBTIDFSSXIJQ-QUCCMNQESA-N 402.543 0.858 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)nc12 775233231 MZROZWMQGAZRCW-HNNXBMFYSA-N 423.364 0.609 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945547 LJIPZMUMDCELQC-UHFFFAOYSA-N 412.402 0.372 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cn1 783896403 SSJKMCSPHOVQCI-UHFFFAOYSA-N 401.471 0.968 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 784502138 VYUFCNDKFZJVHI-QZTJIDSGSA-N 417.487 0.945 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(OC)cc1C(=O)NC)c1cc[nH]n1 789974058 LRQUFDVYYJYMLC-UHFFFAOYSA-N 403.395 0.700 30 20 HCED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccsc1 790743721 WFEFTERZACYRMN-CYBMUJFWSA-N 411.553 0.884 30 20 HCED CNC(=O)NCCC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 796764718 PFBFSPURXIVCEW-OAHLLOKOSA-N 402.411 0.271 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 807345797 JBKHGVOEZAIABE-GJZGRUSLSA-N 407.492 0.861 30 20 HCED Cc1ncc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 807935001 PPVCCSZFSKWPEW-KRWDZBQOSA-N 411.487 0.899 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 813699902 PITLECIBZFQGNS-UHFFFAOYSA-N 420.532 0.445 30 20 HCED C#CC[C@@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 816669044 FQTZWRUHHPADPK-KBXCAEBGSA-N 410.492 0.651 30 20 HCED COCCNC(=O)c1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 844146900 LLEIPAWHHLJZSW-UHFFFAOYSA-N 416.459 0.740 30 20 HCED O=C(COC(=O)Cn1ccc(O)nc1=O)NCC#Cc1cccc(C(F)(F)F)c1 857520066 LYXKDBBHMDSSLO-UHFFFAOYSA-N 409.320 0.679 30 20 HCED CC(=NNC(=S)NCCN1CCOCC1)c1cccc(S(=O)(=O)N(C)C)c1 915940581 DZEUWCUMRHCXPB-UHFFFAOYSA-N 413.569 0.457 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c1 917187894 PNLAYKQLGNLRFT-UHFFFAOYSA-N 421.500 0.900 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)nc1 919661205 LLLVMJFJABQKAE-UHFFFAOYSA-N 408.462 0.952 30 20 HCED CN1CCN(CC2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 1325083327 HMBQQDQEVOHFOJ-UHFFFAOYSA-N 405.524 0.198 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](O)COCC3CC3)C2=O)cc1 1330808244 VFPNWVHGIWXLFD-SJORKVTESA-N 400.435 0.667 30 20 HCED N#C[C@@H](C(=O)c1c[nH]nc1-c1c(F)cccc1F)C(=O)N1CCS(=O)(=O)CC1 1341917616 YQHRALYVTBVUNT-JTQLQIEISA-N 408.386 0.934 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)CC1(CC#N)CC1 1463153874 YFFURINUDCUCIG-UHFFFAOYSA-N 401.510 0.413 30 20 HCED CCN1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1468283812 ZMMJSOVJTAMMKT-INIZCTEOSA-N 404.492 0.696 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC(O)(CC#N)C3)cc2)C[C@@H](C)O1 1653387572 OGETWAPLELBJTR-HUUCEWRRSA-N 422.507 0.383 30 20 HCED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1662972113 YWFYAQITBBNSBG-NSHDSACASA-N 408.299 0.633 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)cc1 1663914334 PWDNTNQAVWIDOZ-UHFFFAOYSA-N 410.477 0.570 30 20 HCED Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1693393628 KPHQLJBEYJZZBX-RHSMWYFYSA-N 407.475 0.827 30 20 HCED CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1696712753 KUMDQOPXLSSBQW-UHFFFAOYSA-N 412.479 0.792 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1710483773 OTXNCFUFWOGWDG-FOIQADDNSA-N 420.514 0.964 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CCO1 1711363089 KVJOPUBXYYFLIH-KRWDZBQOSA-N 423.477 0.294 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1778326747 LIJKZJHLFUUARG-PMACEKPBSA-N 409.458 0.799 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778950079 GVFOIMGGZKDZHT-JXFKEZNVSA-N 410.515 0.507 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1778971912 OGCMSOKKTYOKNE-UWJYYQICSA-N 402.495 0.846 30 20 HCED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1779000460 WPXFZPUAPRNNDG-FQEVSTJZSA-N 407.587 0.956 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1779102518 ZRCAXCOJWHNBIC-RTAJLIBNSA-N 419.434 0.612 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KDFIBBAPRIOYJN-AVRDEDQJSA-N 423.473 0.347 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1839842620 AWIAFLIGADOHOQ-CSODHUTKSA-N 409.527 0.960 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839879312 REGGEWTUDXVNQX-YRISNDGFSA-N 407.511 0.736 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840291962 PAASGUBWTSDSGB-JOCHJYFZSA-N 415.490 0.649 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)C1 1840407008 PSNGJWUBEHTHCZ-HXUWFJFHSA-N 402.451 0.278 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)CCC1 1840411336 MVQNDXSUKQZRQR-FQEVSTJZSA-N 415.450 0.006 30 20 HCED N#CCCC(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1842812808 NIIUFEKFOAUSDO-UHFFFAOYSA-N 423.477 0.687 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843315472 FHTCFQMIKNUAGA-SREVYHEPSA-N 410.434 0.110 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1843326083 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20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1 440263282 FHFZHIOSUJVMTB-CYBMUJFWSA-N 415.431 0.573 30 20 HCED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)nn1 442465213 CRVPGUJIGNPTQO-UHFFFAOYSA-N 420.332 0.560 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 463122281 IKTCQXSMGMZFRJ-JYBIWHBTSA-N 410.474 0.611 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(N)=O)c(F)c1 465424540 UJVBDVMORGRKKZ-LLVKDONJSA-N 411.397 0.262 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1 469099770 WCHBTJGUDZXAHD-CQSZACIVSA-N 409.512 0.939 30 20 HCED N#C[C@H]1CN(C(=O)NC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCO1 477509556 KTUSAELHXVKMAE-MAUKXSAKSA-N 400.435 0.751 30 20 HCED CN1CCN(c2cc(N3C[C@H](C#N)[C@]4(C3)C(=O)Nc3ccccc34)ncn2)CC1=O 480416752 MRLRJZXGSVBAHY-QKKBWIMNSA-N 403.446 0.605 30 20 HCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480957851 WMJYDHZNDYRVHY-UHFFFAOYSA-N 421.482 0.903 30 20 HCED COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 481752024 UBAUQWLEMUSCGE-GUYCJALGSA-N 423.491 0.557 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 482143400 ZZKLLOJSBIMZHQ-MFKMUULPSA-N 418.397 0.504 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CC[C@H](OCCN4CCOCC4)C3)cc2)c1N 483603384 SSBKZTQPWANBSQ-IBGZPJMESA-N 410.478 0.889 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)C1=O 488027190 DRWJVFBZDHKZQO-BBRMVZONSA-N 420.372 0.330 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)n(C)n1 489366467 DTYUMYMPSYQLBA-HOTGVXAUSA-N 409.450 0.963 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)CN1CCOCC1 491458789 ODTPQPZITNJILN-HNNXBMFYSA-N 411.466 0.221 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Cc3nnc4ccccn34)cc2)n1 508323480 VXMYBLRYGXUVEY-UHFFFAOYSA-N 415.417 0.538 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)CN1CCOCC1 513180047 YGLLLFCTYLSQFI-CQSZACIVSA-N 414.441 0.906 30 20 HCED COC(=O)c1cccc(CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1C#N 535205733 JRLAZAPOYWVJAD-UHFFFAOYSA-N 417.491 0.893 30 20 HCED CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 539375219 RVIVYAKYQZORMO-ROUUACIJSA-N 408.499 0.653 30 20 HCED N#Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 541590577 XEHDFGZKMVGZLJ-UHFFFAOYSA-N 408.461 0.775 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](NC(=O)NC3CC3)C2)CC1 545504962 GPUUNNBNCMZIBE-IAGOWNOFSA-N 416.551 0.993 30 20 HCED C=CCOC[C@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1=O 557416170 AHMYHQZNBSZBKC-HZPDHXFCSA-N 416.482 0.405 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1F 564472245 BLALPVPUIZUHFW-UHFFFAOYSA-N 423.404 0.524 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 574183423 JLRLSCZRQIJWEN-KRWDZBQOSA-N 422.507 0.588 30 20 HCED CCN(C1CN(S(=O)(=O)c2ccc(C#N)o2)C1)S(=O)(=O)c1ccc(C#N)o1 581625044 NDDZXXIJOQOLNH-UHFFFAOYSA-N 410.433 0.700 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 584137030 ZRCLGPGICDHPMX-WMZOPIPTSA-N 421.519 0.940 30 20 HCED N#Cc1cc(Br)ccc1CN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 588102798 QGXOHEATBLVVDP-AWEZNQCLSA-N 421.251 0.990 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)n1 588181130 WJKCDJXXIPCZLF-UHFFFAOYSA-N 407.431 0.328 30 20 HCED CN(C)S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 603495150 WRJZIDLQSNYJAU-UHFFFAOYSA-N 422.488 0.726 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 608829012 WCXWJCBGNJTTQO-UHFFFAOYSA-N 422.466 0.620 30 20 HCED CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNC(=O)c1ccc(C#N)cc1 608889434 QDULTKGKVIOQQW-UHFFFAOYSA-N 400.460 0.855 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 609848754 XYFWVXPHQOKMHS-HNNXBMFYSA-N 401.467 0.599 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC(=O)NCC)nnc12 617028814 BNBLRMXWAZBFRN-UHFFFAOYSA-N 414.491 0.917 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN3Cc4ccccc4C3=O)CC2)o1 730051429 DIPBKBJOMWHHCT-UHFFFAOYSA-N 423.429 0.703 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 731863379 VEAOPWXUXOSTNS-VLGSPTGOSA-N 404.448 0.384 30 20 HCED C#CCN1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 733161402 TXYQLYHLPRZYPQ-UHFFFAOYSA-N 417.535 0.534 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC1CC1 733702431 QTJYIWFAILGTMJ-CQSZACIVSA-N 413.521 0.996 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 741341881 SRNBWGMXMBUSHB-VHEBQXMUSA-N 414.374 0.944 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 742250017 BIIFQEHXKGOLKG-UHFFFAOYSA-N 411.550 0.482 30 20 HCED COc1ccc(C(=O)n2ncc(C#N)c2N)cc1S(=O)(=O)NCc1ccccn1 746889979 ZDFLXBXOLKSWTI-UHFFFAOYSA-N 412.431 0.908 30 20 HCED COC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 747207667 MMZCYSXDWGRWPQ-HKWRFOASSA-N 420.451 0.516 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1 747824854 TYXNFKVTSSGCGZ-UHFFFAOYSA-N 415.446 0.660 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc21 754387872 XAQIZHWKNKSPAM-GFCCVEGCSA-N 415.454 0.973 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 755550556 WREXLXOIQSUCDF-WCQYABFASA-N 419.438 0.625 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn(C)c1=O 755551190 XGMVNAWYHZNBFC-TZMCWYRMSA-N 403.439 0.508 30 20 HCED C#CCN1CCN(C(=O)CNC(=O)c2ccccc2I)CC1 760430478 MRSCHSRNLWEGGK-UHFFFAOYSA-N 411.243 0.798 30 20 HCED N#Cc1cnn(CCOC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c1N 761155736 OVJRUTWHHULJDV-UHFFFAOYSA-N 403.464 0.954 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 763012346 FXABOQYASZKUNE-UHFFFAOYSA-N 400.822 0.456 30 20 HCED Cc1nn(-c2ccccc2)c(C)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771890217 FIKPUUDJEXDVDD-UHFFFAOYSA-N 416.463 0.199 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cn(-c3ccccc3Cl)nn2)C1=O 772194400 LRUXSQNXZXRZGB-UHFFFAOYSA-N 403.782 0.941 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC([C@H](O)C(F)(F)F)CC1)c1cc[nH]n1 772385697 HZAVDIFIMBMDBW-AWEZNQCLSA-N 406.361 0.855 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)[C@@H]1CCCO1 773058051 QOWGTOGPKZWYGQ-SJORKVTESA-N 401.506 0.959 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC)[C@H]1CCCO1 773792117 SLGPPHVTWMHJDU-FUHWJXTLSA-N 415.446 0.545 30 20 HCED Cc1nc([C@@H]2COCCN2C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 779694655 ZRDAIFRSLYAYMX-FZMZJTMJSA-N 419.463 0.795 30 20 HCED N#Cc1ccc([C@@H](O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 780914799 LEMPXPQPUDDMQZ-MRXNPFEDSA-N 404.404 0.595 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)cc1 783351341 XOMZVMNIFQNHII-UHFFFAOYSA-N 422.551 0.873 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 783475927 RVVIURKORDJDDA-KRWDZBQOSA-N 421.544 0.827 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 787754578 FVEXEMJGTNHVCS-RTBURBONSA-N 423.473 0.832 30 20 HCED N#Cc1c2c(cn(CN3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)c1=O)CCCC2 793512885 WDQPDPBQBIHWSN-KRWDZBQOSA-N 420.535 0.683 30 20 HCED C#CCCCS(=O)(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 805005392 OJCCIPKMMKQKIQ-UHFFFAOYSA-N 414.505 0.526 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 810775781 UGIZELZTOAGDSA-UHFFFAOYSA-N 408.436 0.346 30 20 HCED CC(=NNC(=S)NCCCN1CCOCC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811631977 UVUMUJQBHSNBLD-UHFFFAOYSA-N 404.496 0.127 30 20 HCED C#CCN(C)c1cnc(-c2noc(CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)cn1 813340052 OIEFCTVEHLNIFB-OMNBBPDLSA-N 408.418 0.301 30 20 HCED Cn1ncc2c(N3CCN(C(=O)NCCNc4ccc(C#N)cn4)CC3)ncnc21 916520904 VEJRTXNJGMDCJR-UHFFFAOYSA-N 406.454 0.574 30 20 HCED COCCCNC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 918392658 UHJLAKPZQJEHIC-UHFFFAOYSA-N 422.507 0.116 30 20 HCED C[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 919549313 NLAXNBSSOCDQQR-FZMZJTMJSA-N 417.447 0.175 30 20 HCED N#Cc1cn(CCNC(=O)NC[C@H](c2ccco2)N2CCCCC2)c(=O)nc1O 1210845526 PMLRJHNDLAHVJV-OAHLLOKOSA-N 400.439 0.940 30 20 HCED CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1306196815 JUFUVXDIRCRBHP-UHFFFAOYSA-N 417.539 0.930 30 20 HCED N#C[C@H]1CC[C@@H](N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1 1307566429 ZZODOZOEEIFXOD-DLBZAZTESA-N 405.524 0.917 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)CCOC1 1314142800 UEUABDKNEFCGJX-PDOICOKGSA-N 421.498 0.710 30 20 HCED CN(C)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314634933 MFZPRWDVVBUMPE-HZPDHXFCSA-N 414.514 0.274 30 20 HCED C=CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OCC 1320425052 SHCJXCVYVMPADW-IUODEOHRSA-N 409.464 0.311 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1C 1321099843 NBCBLVNJROVARC-UHFFFAOYSA-N 405.483 0.653 30 20 HCED NC(=O)N1CCC[C@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1323277281 IRGXCWYOCCDLFT-CYBMUJFWSA-N 407.496 0.412 30 20 HCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1547914957 LQYXMQXRCMRKAT-JXFKEZNVSA-N 417.514 0.195 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552395693 XPMWNENRIVQJAT-HNNXBMFYSA-N 418.527 0.389 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1620347385 SVNAFKFJJHSYSU-UGSOOPFHSA-N 424.502 0.681 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2cccc(C#N)c2)c1 1625329211 VYPGBCGTJLQBIQ-UHFFFAOYSA-N 407.473 0.556 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(CC(N)=O)CC3)CC2=O)cc1Cl 1642806092 ZIQNVXZEIWLRIL-CYBMUJFWSA-N 403.870 0.630 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C[C@H](O)COc1ccccc1C#N 1646135290 MKTLRLBXBZSYMB-JKSUJKDBSA-N 410.492 0.739 30 20 HCED CC(=O)N1C[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]2C1 1655447905 PDNSGMKTSFVUKM-KSZLIROESA-N 401.536 0.867 30 20 HCED CCOC(=O)C1=C(Cn2c(=O)c(C#N)c(C)n(C)c2=O)NC(=O)N[C@@H]1c1ccccc1 1656779218 TZPIWJJBWAEOFS-QGZVFWFLSA-N 423.429 0.598 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(c2ccccc2C#N)CC1 1684477542 IEKAHVFUAYGRLL-KBPBESRZSA-N 401.467 0.892 30 20 HCED 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Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn1 1834173687 IDKSBLWGZHXIOU-QFIPXVFZSA-N 423.473 0.870 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1C)CCO2)C(F)(F)F 1834329613 RFSAPVQLVTXLJN-INIZCTEOSA-N 402.373 0.609 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(C)n3)CCO2)C1 1834453211 MMSJFWIGXBJJPR-KUHUBIRLSA-N 407.492 0.560 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CN)CC2)CC1 1834663404 WLWMLDNTOUBYKS-MRXNPFEDSA-N 408.543 0.662 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1835355132 VLIRPAUQQXBRGR-FQEVSTJZSA-N 406.483 0.149 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1835364251 NXKPTSRSSACXIN-FOIQADDNSA-N 401.467 0.275 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835827746 VDCQRBVUWSXUTP-INIZCTEOSA-N 400.523 0.662 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835985383 MPNWNVCUXDMHAW-ICSRJNTNSA-N 424.567 0.764 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836850868 GDXMNDQZFOWSCP-SCLBCKFNSA-N 405.480 0.118 30 20 HCED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836881002 YCBFROGYMGBFBC-KRWDZBQOSA-N 410.544 0.626 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837393392 QFDOQBYSDIRTOC-VWNGAAMTSA-N 410.486 0.908 30 20 HCED CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)CCC#N)CC3)CC2)CC1 1837794035 XASXQWVCCAXDNY-UHFFFAOYSA-N 419.570 0.926 30 20 HCED CC(C)n1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838019281 YQJVWTDQUCRUTO-NRFANRHFSA-N 400.479 0.947 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCC=CO4)C3)C2)c1 1838738054 ODXZYTKGSXLIJN-XLIONFOSSA-N 400.435 0.649 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949439 CJIHNTWKMFCGIV-JTSKRJEESA-N 411.458 0.667 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C(C)=C/OC)C2)C1 1839174852 AJFLOMILOFJWGT-MBNYPGIVSA-N 410.467 0.502 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839223585 ABUGFAXNZWLNPI-UZLBHIALSA-N 421.498 0.599 30 20 HCED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361045 MUHKMEFIBONLNQ-OAQYLSRUSA-N 417.462 0.442 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1839889302 NOMCBTHFRBPIOA-JYRCXFKTSA-N 422.494 0.813 30 20 HCED Cc1scc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1C 1840041654 ZQFSTTTVWXQCCA-LJQANCHMSA-N 406.460 0.523 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840160908 XNYUKFWIYWJHKF-KUHUBIRLSA-N 404.492 0.723 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nc2nccn12 1840163323 GFIJHBCKMGGXCZ-KUHUBIRLSA-N 419.507 0.426 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840227630 WPBCWRVGTJIHQD-VGOFRKELSA-N 421.538 0.961 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1840447776 DLBABKZISQSEPC-NRFANRHFSA-N 424.461 0.310 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840844397 UKJWNINDQMHGBQ-FQEVSTJZSA-N 409.483 0.381 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841756996 FEZKWGYNAQOETP-CIPMJJFUSA-N 418.450 0.034 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)c(O)n1 1842879626 GSYVZLTXVSVRBK-INIZCTEOSA-N 415.494 0.316 30 20 HCED O=C(NCC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)c1cccnc1 1844313672 VSIMJLJRIFIBSL-FOKLQQMPSA-N 409.446 0.727 30 20 HCED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)cc1 1845411582 NRASDFHDONCRIE-UHFFFAOYSA-N 406.379 0.294 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1)n1cnnn1 1845582977 LQGVSTQBEXWWQO-GFCCVEGCSA-N 405.422 0.499 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)CNC2=O 1847262627 XTDDMQSBXAZPIE-SLXDBMQSSA-N 408.458 0.604 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1=O 28665019 DLRNDMRUQPNSIG-UHFFFAOYSA-N 409.446 0.454 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 30666524 XQTVPTNWOYQPEB-IYBDPMFKSA-N 422.507 0.435 30 20 HCED CNC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 47896156 IRJPRSOLKMYLIT-SFHVURJKSA-N 400.460 0.782 30 20 HCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)C[C@@H](C)C#N)c1OC 53078506 GZFVGASURXSUQR-ZDUSSCGKSA-N 411.480 0.956 30 20 HCED CC(C)NS(=O)(=O)Cc1ccccc1C/N=C(/N)NCCCN1CCOCC1 303776875 IAWUUYREEOYEPZ-UHFFFAOYSA-N 411.572 0.641 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCc2ccc(OCCN3CCCC3)cc2)CCO1 409490262 FOBQJKBLZZPJSX-IBGZPJMESA-N 408.524 0.762 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CCO1 409570113 LROKKSSXYJWYHY-MRXNPFEDSA-N 404.452 0.081 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCCN1CCN(c2ncccn2)CC1 410128057 FKFZOLXGJZNCEZ-KRWDZBQOSA-N 409.560 0.695 30 20 HCED CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1C#N 435686045 QMCSQDQHSCAOOW-UHFFFAOYSA-N 406.420 0.954 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c1C 436874204 URQPKVFDPMSRTB-MEDUHNTESA-N 415.475 0.849 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1=O 440280978 WUHULJGHBYBGQX-INIZCTEOSA-N 402.451 0.385 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442519436 YMIAWXJJTOWXCL-WFASDCNBSA-N 417.853 1.334 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)cc1 445163489 VMWUETRITCCIKW-QGZVFWFLSA-N 414.506 0.964 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(OC)c2)c1=O 446167644 JMQBQFQVFHRHEF-UHFFFAOYSA-N 401.488 0.512 30 20 HCED CCN(C(=O)Cn1c(C)c(Br)cc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 460955043 ZNWUZBJUVHPIOG-LBPRGKRZSA-N 416.297 0.827 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 462464184 AZSXUPQDCXTJPX-CQSZACIVSA-N 403.913 0.705 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 464218154 RYKVEQVNGSFUPX-UHFFFAOYSA-N 417.509 0.239 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC#N)CC2)cc1OCC 465136169 AZCZRFUQUCUCQC-UHFFFAOYSA-N 410.496 0.430 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 465484886 WOHNNQTZEHHVEG-ZBFHGGJFSA-N 415.537 0.599 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1=O 467664377 SSCQRMDUKTXNNQ-KRWDZBQOSA-N 422.507 0.030 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C(C)C)c1=O 478846028 XSHIQICYDTURLO-UHFFFAOYSA-N 417.560 0.786 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2cccc(Br)c2)C1=O 479410249 OWWDTPPWASUCOM-UHFFFAOYSA-N 423.223 0.481 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)cc1 493916068 GOCBBZFTEOGGFP-HNNXBMFYSA-N 408.480 0.081 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 500688969 QAWXGKAZIBICOH-UHFFFAOYSA-N 408.455 0.294 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 501041528 QJGVZXSGOLNIBD-QZTJIDSGSA-N 413.478 0.570 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 509400582 FNDVFFCBZUWIOB-CQSZACIVSA-N 416.525 0.276 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 511717954 CLKVIZMPSSTNQJ-DTTOXWODSA-N 409.377 0.984 30 20 HCED C[C@@H](CC#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 512087158 DLNNIAIRUQNXTC-LBPRGKRZSA-N 404.448 0.993 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2CC)c1=O 512771928 RMQSJGXXMGUDLD-UHFFFAOYSA-N 415.519 0.334 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 523252714 XNBXDUJGZWWFOK-UHFFFAOYSA-N 424.507 0.617 30 20 HCED CCOCCN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 543221319 GKRBSEGZEWXAHA-UHFFFAOYSA-N 404.467 0.703 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 550341695 VJKWUHUWLDDIJE-UHFFFAOYSA-N 422.551 0.710 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](CC)C(=O)OC)CC2)cc1 553280103 RKUWWOGTYUYSIX-KRWDZBQOSA-N 409.508 0.860 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@]2(CCOC2)O1 555035346 IKSXNYRMMPMMRT-XOBRGWDASA-N 410.434 0.874 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC1 556390176 ULJOILDFJSQWQM-UHFFFAOYSA-N 416.445 0.880 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)s1 564374820 XWCQPTPGUQLVJY-UHFFFAOYSA-N 420.516 0.981 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2)nc1 587648207 UBUKYUSLCBYSMU-IRXDYDNUSA-N 410.478 0.308 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)CC1 588125943 TUDDXIAZATZIOR-UHFFFAOYSA-N 407.478 0.862 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604118564 MFSUMIIVZQVNML-UHFFFAOYSA-N 417.512 0.115 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 610806082 PEGNGMUGERICBA-QGTPRVQTSA-N 406.508 0.283 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O 679752915 GZVXTCAUMSOCHT-UHFFFAOYSA-N 417.512 0.728 30 20 HCED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 685030903 MXPOAEBFPIWUTF-AWEZNQCLSA-N 409.512 0.573 30 20 HCED N#Cc1ccccc1CN1C(=O)CN(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 726585478 XPTRKBJITWWTST-KRWDZBQOSA-N 402.476 0.931 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c3ncccc23)CC1 728589573 IFYBNTMDGXHPPF-UHFFFAOYSA-N 402.476 0.299 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nccn2C)c1 728756685 IYNYMHKKEAXNHL-PXLXIMEGSA-N 418.479 0.488 30 20 HCED C=CCOCC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 729762477 CCYRHMRCAJXEMA-UHFFFAOYSA-N 412.464 0.070 30 20 HCED C#CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 733160816 ALLVLWHBDNQHIB-HNNXBMFYSA-N 401.463 0.843 30 20 HCED C#CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 733160905 GMMDYIVJZZETSF-GOSISDBHSA-N 420.491 0.915 30 20 HCED COc1cccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 733888100 LJPCXQUSBPYVPM-VXPUYCOJSA-N 412.446 0.896 30 20 HCED Cc1cc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 738860353 KPXSPXPIGXFZAE-MPBGBICISA-N 415.450 0.540 30 20 HCED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 742184329 SIFURJPVXPTCDK-XOBRGWDASA-N 401.442 0.944 30 20 HCED C[C@H](CC(=O)NCC(=O)NCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 742552503 SINNYNFXIXHJRK-SECBINFHSA-N 406.386 0.298 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 743901033 XKBPIYOEDINXHD-UHFFFAOYSA-N 412.446 0.878 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 745484233 UPPDDFNJKJGYJV-SYZWTGEBSA-N 403.416 0.333 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 746542673 QQMSMCQOXBMHHJ-UHFFFAOYSA-N 400.416 0.215 30 20 HCED C[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749746338 WNCFTDIKRGZEOT-ZXKZCITISA-N 410.496 0.571 30 20 HCED C=C(C)[C@H](CC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)OCC 756470065 JICXWRVJXGLBIG-INIZCTEOSA-N 416.482 0.926 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O 756889098 YUCANGHNEKKMRZ-GOEBONIOSA-N 408.466 0.168 30 20 HCED 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CCOC(=O)CON=C(C(=O)N1CCC2(CC1)[C@@H](O)C[C@H]2OCC)c1cc[nH]n1 789981143 KIRRGEKHOGJVKM-LSDHHAIUSA-N 408.455 0.472 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)CC2(C#N)CC2)s1 793194500 MYXRRQNZJZZCMJ-GFCCVEGCSA-N 417.534 0.959 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CCCO1 793760007 HYVWJCKCQHBTMB-LSDHHAIUSA-N 422.279 0.592 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)nc1 804058500 VNXDTHFYYFXUEU-ROUUACIJSA-N 412.494 0.018 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 806768120 VLGDBXXFKSIZSM-AWEZNQCLSA-N 416.482 0.631 30 20 HCED CN1CCN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2Cl)CC1 807367683 YGYMUHQHIIDSCI-UHFFFAOYSA-N 416.873 0.310 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CSCc2cc(=O)n3ccsc3n2)c1 813983657 DSRWUFFJLIOEIR-UHFFFAOYSA-N 421.485 0.761 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cccc(N2CCOCC2)c1)c1cc[nH]n1 817466910 KMUCEJXLSWIIGS-UHFFFAOYSA-N 415.450 0.847 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C)c2)c1=O 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C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H]1COc3ccccc3O1)CCO2 1831235837 YMJXELFTVFNVAJ-IIBYNOLFSA-N 400.431 0.306 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnc3C)C2)C1 1831391330 NPLFHSQOVHODTH-DNVCBOLYSA-N 407.492 0.560 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnc3C)C2)C1 1831391332 NPLFHSQOVHODTH-KXBFYZLASA-N 407.492 0.560 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)C)C(C)C)C2)C1 1831393467 MNGAAABEUHPVDV-KNKQGSTJSA-N 423.554 0.504 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)c(O)c3)C2)C1 1831398777 KTMOLJOHHVLGBX-JTSKRJEESA-N 416.474 0.809 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425499 GZLAYSZDIRLZHQ-BEFAXECRSA-N 413.540 0.164 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1832454643 VNQGLKJINVPJGG-LJQANCHMSA-N 406.508 0.395 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833314904 DFTUIENWJIWXLZ-QVKFZJNVSA-N 416.478 0.463 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833837436 AXMRYVHROASHLR-HXUWFJFHSA-N 403.483 0.654 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833842626 QMTNANKXVTUREL-HXUWFJFHSA-N 405.499 0.878 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1834533019 VNUZGBUUBKRNGK-FQEVSTJZSA-N 415.450 0.249 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3c(C)noc3N)CC2)CC1 1834699386 BEXKFNVKCXSALG-HNNXBMFYSA-N 417.510 0.789 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccn5ccnc45)C3)C2)CC1 1835344456 FRZFELRBDMYMOG-OAQYLSRUSA-N 409.446 0.708 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835345140 FLIZLEHKDIRTAP-JOCHJYFZSA-N 424.457 0.941 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ccc4F)C3)C2)CC1 1835345821 FGDFMJDJIVRDBJ-FQEVSTJZSA-N 403.410 0.905 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](COC)NC(C)=O)CC3)CC2)C1 1835840494 SVKYEWYTTXJNOX-HXUWFJFHSA-N 420.554 0.675 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CCn4cncn4)CC3)CC2)c1 1836170558 BBZVVIFUCKMITM-UHFFFAOYSA-N 424.509 0.753 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836421703 AMFXMYZHZSRTKO-MRXNPFEDSA-N 404.515 0.441 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1836859500 JTUGPIUDYUSFQO-IRXDYDNUSA-N 421.538 0.890 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837148637 CHQFSTJUBVUUHO-OAQYLSRUSA-N 412.446 0.304 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1837304433 DXGXQIWPIXCSDE-CBGDNZLLSA-N 422.526 0.658 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3)C2)C1 1837397410 WGCITAJDFCVVMQ-AVRDEDQJSA-N 419.522 0.977 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1837398475 BKCJETIJDXPFSD-IERDGZPVSA-N 420.510 0.670 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739137 MCAFZAZDGQDDAF-YWZLYKJASA-N 417.466 0.757 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(F)c[nH]2)CCO3)c1 1840067250 PAFOGVKDFLCFDW-IBGZPJMESA-N 401.398 0.737 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840158373 JXNKMOKZKUPWBH-SJCJKPOMSA-N 414.459 0.171 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1840160311 DOWZGAMCLGCBSN-IFXJQAMLSA-N 404.492 0.723 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840161226 IKXWYAKCZGRGSD-GLJUWKHASA-N 401.529 0.066 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812173 DADYQYZEQWOQNO-NRFANRHFSA-N 420.510 0.299 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1840844646 GWCXSHUMJIIGSS-UTKZUKDTSA-N 401.463 0.719 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C(=O)OCC)CCO3)C1 1840882095 FIUADRSBCRQDDJ-NRFANRHFSA-N 408.495 0.998 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1841609139 JVOLVGMJOSIMDZ-OAHLLOKOSA-N 413.540 0.453 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845438562 FTLSPZAFTIZCCV-KGLIPLIRSA-N 411.499 0.606 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]31)C2 1845960608 UJFQQMXVRCAXFG-BZUAXINKSA-N 403.479 0.705 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1846561028 DVASTAFXQOXRAK-QGZVFWFLSA-N 409.450 0.174 30 20 HCED CN(CCC#N)S(=O)(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 433446872 JDZGVJOEBJDMKW-INIZCTEOSA-N 412.487 0.523 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 435637213 NGQSXTZAOGLXQO-UHFFFAOYSA-N 404.423 0.872 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)ccc21 442238387 CCDKXLXBHSOJCI-UHFFFAOYSA-N 405.414 0.977 30 20 HCED CC(C)NS(=O)(=O)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 443469376 RFCGBEXRFBSHIC-UHFFFAOYSA-N 410.315 0.927 30 20 HCED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 443814346 ITAKTOWSMZTLSP-NWDGAFQWSA-N 405.842 0.926 30 20 HCED Cc1ccc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1S(=O)(=O)NCC#N 443954405 BDLKYSBQHNKEGH-HNNXBMFYSA-N 402.480 0.941 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1 446901579 YJAPXXFXIPSFHD-UHFFFAOYSA-N 423.433 1.139 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 463758228 YAFPKWCIRVTCOQ-UHFFFAOYSA-N 400.435 1.568 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCOc1ccc2c(c1)OCO2 464863564 VMSIHNMRSDKNLO-OAHLLOKOSA-N 424.461 0.783 30 20 HCED COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 481752025 UBAUQWLEMUSCGE-SUMWQHHRSA-N 423.491 0.557 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 488965751 ALLNEZZCKGBDIP-LLVKDONJSA-N 401.514 0.158 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1 490554858 JKOFGLFJCCIFDW-OAHLLOKOSA-N 422.507 0.557 30 20 HCED N#Cc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc1 497639328 YXAGWZRVVXTGHK-UHFFFAOYSA-N 414.447 0.124 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCO1 498662706 YXAKWHOXIYLFLY-ZDUSSCGKSA-N 409.240 0.623 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 505713181 HONVKHNJGGWCQL-GOEBONIOSA-N 402.480 0.755 30 20 HCED Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508449448 YWLPKCCLKQHWNG-QGZVFWFLSA-N 416.507 0.985 30 20 HCED N#Cc1c(CCCNC(=O)CNC(=O)c2ncccc2O)nn(-c2ccccc2)c1N 509902861 SUCCHVMOYDAXTQ-UHFFFAOYSA-N 419.445 0.906 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)n1 513108722 RPGLDBAFDODJHH-CYBMUJFWSA-N 401.398 0.821 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 518127287 VDPLUAYDDRWOLD-UHFFFAOYSA-N 417.447 0.635 30 20 HCED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 520669331 OTLCAVSGGMJFMG-CABCVRRESA-N 409.450 0.399 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1Cc1ccon1 532448689 NCMPJCGQZDBSIV-UHFFFAOYSA-N 400.847 0.849 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 533045349 IDCNVONBBGKMOP-HIFRSBDPSA-N 412.487 0.969 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 536606192 FJVODCCPYFQUTN-OAHLLOKOSA-N 404.496 0.691 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 539213806 XLSYFUNRVQBPNE-MGPQQGTHSA-N 408.480 0.699 30 20 HCED CCOC(=O)[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCOCC1 543556803 XLUMCONEIUHATB-SFHVURJKSA-N 419.482 0.451 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 543961336 RDQFYLDKNUHRMQ-CQSZACIVSA-N 417.809 0.736 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl 545351606 MONYETJOOHKVLX-UHFFFAOYSA-N 414.915 0.623 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 550094178 DAKXYJWKUZHJNC-GOSISDBHSA-N 413.522 0.938 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)CC1 553669778 JMFBUNLKDMKNAW-OAQYLSRUSA-N 409.527 0.961 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 554883392 OOUJDVBZUXQDEG-UHFFFAOYSA-N 404.492 0.625 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CCCC)CC1 557159670 LYFBGKDCDODLHI-GOSISDBHSA-N 407.559 0.204 30 20 HCED Cc1c([C@H]2[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cnn1C 561432383 KPLHBEBWAIJXHH-OXQOHEQNSA-N 407.478 0.863 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 564082574 WCHDVGMFBFKFBV-APWZRJJASA-N 402.495 0.759 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1ccc(C)c(F)c1 572906442 NBSYSZYIOCREHX-UHFFFAOYSA-N 424.457 0.999 30 20 HCED COC(=O)[C@@H](N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1(OC)CCC1 580127851 FHQYNECXPSOTMG-QGZVFWFLSA-N 407.492 0.975 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 588289121 YLTACWNMQLBNHM-LBPRGKRZSA-N 414.509 0.918 30 20 HCED Cc1ccc(C(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1S(=O)(=O)NCC#N 608868051 RKLFDLRXTWIODW-QGZVFWFLSA-N 406.508 0.734 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOC[C@H]2CO)CC1 618318271 NFBCHQZFZVVJQN-CQSZACIVSA-N 401.423 0.148 30 20 HCED O=C(Cn1cnnn1)N1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 642689241 OFKPHVZXQFHESJ-UHFFFAOYSA-N 421.383 0.597 30 20 HCED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 685725275 VQGQNENMUQLVDI-SFHVURJKSA-N 409.464 0.178 30 20 HCED C=CCNC(=O)NC(=O)CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O 741733852 YEKLTDVBUDBXFY-UHFFFAOYSA-N 409.443 0.320 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NCc2cccc(C#N)c2)c1=O 746561758 YLQUICWMYBDWKT-UHFFFAOYSA-N 420.425 0.914 30 20 HCED C#CCN1CCN(C(=O)CSc2nnnn2-c2cc(OC)ccc2OC)CC1 748652507 JAPPKBVJBQTCHT-UHFFFAOYSA-N 402.480 0.549 30 20 HCED N#CCSc1ccccc1NC(=O)COC(=O)CCn1cc(S(N)(=O)=O)cn1 749330097 WTQXLLQIOJESCV-UHFFFAOYSA-N 423.476 0.718 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@H]2CCCN(C(N)=O)C2)c1 754778424 DCCWCXXHACHTCP-JTQLQIEISA-N 415.269 0.916 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 755244019 PEPBXRVJAITQHO-UHFFFAOYSA-N 406.490 0.904 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cnc3nc(O)nc(O)c3c2)[C@H](C#N)C1 757587687 KXFVNYVBSYRVHC-ZYHUDNBSSA-N 400.395 0.925 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(SC)cc2)c1=O 758085458 XQQYOOGLMZYMPV-UHFFFAOYSA-N 413.524 0.531 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769672549 JYGDARUVRVBYDJ-JTQLQIEISA-N 418.362 0.805 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769803597 XBQHFYLDYVKEJW-SCLBCKFNSA-N 406.464 0.823 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)nc1 774856310 DAQKWCXHXPXOAP-IBGZPJMESA-N 422.489 0.499 30 20 HCED COC(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)on1 781279191 XXJQMYKVXAQRHS-UHFFFAOYSA-N 403.351 0.135 30 20 HCED N#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc1 782078493 PXVUBRIOOBNNAZ-UHFFFAOYSA-N 402.436 0.691 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 783203660 VPXMDHRJKAAEQY-UHFFFAOYSA-N 409.512 0.020 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1)[C@H]1CCS(=O)(=O)C1 783480636 SBZBLVIGIDBZSB-AWEZNQCLSA-N 404.423 0.599 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 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HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c1 1611444461 ROSBGQOMTMRDCY-HXUWFJFHSA-N 412.471 0.492 30 20 HCED Cc1cc(Br)cn2cc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)nc12 1624841322 SFLYROOLEPFYCE-UHFFFAOYSA-N 417.223 0.856 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 1647101180 LDRQGYAMYZYCMA-QGZVFWFLSA-N 407.540 0.647 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O)(Cc4ccccn4)CC3)CC2)o1 1659379203 ABRYPWBHRUOREM-UHFFFAOYSA-N 424.505 0.968 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1663238553 PSRHGYNDMHQLDD-UHFFFAOYSA-N 414.505 0.884 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)N3CCCC3)CC2)nc1 1678169916 WWWXRBRVADIZPY-UHFFFAOYSA-N 406.512 0.647 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCn2ccnn2)c1 1750382908 ZDQZVAODIVHXNF-UHFFFAOYSA-N 412.479 0.733 30 20 HCED C#CCC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CCCCC1 1757023348 PIQIDQIFDHDJPN-NTZUZEMLSA-N 404.507 0.700 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779286259 QGWNMWDSQWTNPG-QKAUEFMNSA-N 422.482 0.036 30 20 HCED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330720 DUNOSNQNJGTLJT-SFHVURJKSA-N 406.464 0.236 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4ccncc34)CCO2)C1 1781396457 YJDTYZDPSVZJEV-FOIQADDNSA-N 414.466 0.974 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1ccnn1 1781966996 NQIWGQJRSOIURI-VBKZILBWSA-N 412.425 0.994 30 20 HCED CN(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194909 QCPOSCCYXFQLHR-NRFANRHFSA-N 410.478 0.830 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1783556776 VSIBRZHTKJNNSO-FQEVSTJZSA-N 400.818 0.609 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)c3ccco3)[C@H]2C1 1783562449 FHOSHAAXEWZUCK-MRHSLFKSSA-N 420.462 0.802 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccco3)[C@H]2C1 1783562450 FHOSHAAXEWZUCK-RIVXBTQJSA-N 420.462 0.802 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(C)=O)C[C@@H]21 1784486946 UFBDMGVLOUGRKV-VJANTYMQSA-N 409.527 0.864 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)cc1 1784580936 RXSNEBIZHIKUGL-XSLAGTTESA-N 412.446 0.454 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369194 LTRABPNPVKKBQV-JLTOFOAXSA-N 422.482 0.353 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1785730081 ZICVTVSRVYJKHT-YWZLYKJASA-N 422.482 0.366 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(=O)oc3)[C@H]2C1 1786279994 NREUFEVBMHWDJJ-XIRDDKMYSA-N 418.446 0.743 30 20 HCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787497722 KQAUYGKYQBGURX-BLDNINTCSA-N 406.508 0.182 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1788572999 LORTZSSAGJEXTL-XSLAGTTESA-N 420.554 0.821 30 20 HCED 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XMZBSRPHTBWWKY-NSHDSACASA-N 410.500 0.821 30 20 HCED CN1CCN(C2(C(=O)NC3CCN(C4CCN(C(=O)CC#N)CC4)CC3)CC2)CC1 1836375966 ANJCWINSIISSLN-UHFFFAOYSA-N 416.570 0.252 30 20 HCED Cc1[nH]ccc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443879 SVNWIXWULFIIQI-DUYDGHCJSA-N 417.510 0.865 30 20 HCED C=C(C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1)C(F)(F)F 1838380828 JGKODSRPKJHBRA-UHFFFAOYSA-N 416.400 0.979 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)cc1 1838950348 KKYCPZVVXUTJAU-NRFANRHFSA-N 423.429 0.438 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1839809086 PZGRGIIKUVHSDP-KRWDZBQOSA-N 408.252 0.547 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1839842561 ZLGHSBIGKFMLQM-MGPUTAFESA-N 414.466 0.407 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)(C1)C2 1840004610 HORMQLCQNKOSTN-HRTMPFAESA-N 416.474 0.200 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840063607 JLRNQJHEECOUBD-HZQHCPKGSA-N 420.441 0.082 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840156693 SNPIOMLDBSASDU-GTNSWQLSSA-N 401.435 0.748 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840163207 FIWVKWKWZGJATI-LIVBEALHSA-N 405.520 0.798 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1840346184 IUGLSIIBGHQAMZ-OAQYLSRUSA-N 415.494 0.650 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840876854 GYDJTFXFUBQUKH-UWVAXJGDSA-N 411.499 0.670 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)[C@@H](O)C1 1841024552 GGPQETGPGDIKKM-GJZGRUSLSA-N 406.483 0.721 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ncc(OC)cc1F)C2 1841053888 LOZXWCSCKIGGQE-WAYWQWQTSA-N 402.426 0.905 30 20 HCED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1)c1ccc(O)cc1 1843085703 RQEQTNFESLGKAE-QGZVFWFLSA-N 408.462 0.779 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)C2CCN(C3CCN(C(C)=O)CC3)CC2)C1 1843952377 FEZJPKVZLQPTSK-UHFFFAOYSA-N 400.523 0.546 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)COc2ccc(O)nn2)C3)c1 1844726949 RATOYKXZEGKYDO-UHFFFAOYSA-N 423.429 0.958 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845995675 LRBPHHQAMAHAIH-AWEZNQCLSA-N 406.483 0.372 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 5364976 AOTPJGHJYYVDEF-BUXKBTBVSA-N 408.455 0.678 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1 10792369 AQUIFPBESFTIOP-UHFFFAOYSA-N 421.431 0.927 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 46045178 VGGMCMGWAQESMR-UHFFFAOYSA-N 417.447 0.466 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 105580883 DZOVLQJUKLNFKL-KRWDZBQOSA-N 405.476 0.062 30 20 HCED N#CCCn1cc(C(=O)N2CCN(CC(N)=O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 139940989 GFVSXRMCVBZHQO-UHFFFAOYSA-N 411.422 0.615 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H](C)C#N)CC2)c1 143134167 YZVIFWLMDAZOCW-OAHLLOKOSA-N 406.508 0.814 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434835470 CKJIEPFWMBBAKG-CQSZACIVSA-N 411.480 0.735 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 437529445 SZSNABMLUNHUBC-CRAIPNDOSA-N 407.492 0.518 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC(S(N)(=O)=O)CC3)n2)c1 439528849 MNHDJALCDGAYAA-UHFFFAOYSA-N 419.488 0.900 30 20 HCED N#CC1CCC(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 441006155 UKYVNILGNZXYLH-UHFFFAOYSA-N 413.544 0.657 30 20 HCED C=CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CC1 442411538 XEDGJQOTIRXJSP-UHFFFAOYSA-N 406.508 0.738 30 20 HCED CCO[C@@H]1C[C@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1(C)C 444568772 ITTCANHWNKYSQX-VVFCZOMOSA-N 409.508 0.907 30 20 HCED CO[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)N(C(C)=O)C1 444828246 NGIXENRVECFBEY-DLBZAZTESA-N 420.491 0.027 30 20 HCED N#C[C@@H]1N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCC[C@@]12CCCCO2 447901775 CTRBYEUVOCCXHA-BJLQDIEVSA-N 424.567 0.245 30 20 HCED COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 463120736 SILYWILLDOOWSB-CABZTGNLSA-N 407.370 0.835 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)ncn2C 465421622 LPWLWIOKDVMITC-ZDUSSCGKSA-N 404.434 0.911 30 20 HCED C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)NC[C@H]1CCS(=O)(=O)C1 467136574 BGABTUUEQUNFHW-NXEZZACHSA-N 421.447 0.054 30 20 HCED C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)n1cnc(C#N)n1 467504296 SAYKNDQSCUPUGA-LLVKDONJSA-N 406.424 0.076 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 468941472 LDKHMFPYUBCRRY-CQSZACIVSA-N 421.479 0.852 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H](CO)O1 470925895 LLXCQFBOXVATKE-YPMHNXCESA-N 403.826 0.944 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473519996 COTYJBHGDUPYGI-IBGZPJMESA-N 411.506 0.718 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N(C)Cc1ccccc1 480503181 RRQWWCQNNJRKLV-HNNXBMFYSA-N 414.487 1.000 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482177600 GTVZQYQGLCNLRB-IUODEOHRSA-N 402.480 0.504 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 484260502 YISAKKUQEAZEAE-GOEBONIOSA-N 415.537 0.776 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cn1C 486295533 WHFUIXLTUYJSGM-UHFFFAOYSA-N 419.463 0.725 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1=O 488674820 HYMKBLFHUISWTL-QGZVFWFLSA-N 407.430 0.596 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)c1C#N 503723400 GSIGYZXVJPKLPN-FVQBIDKESA-N 400.483 0.179 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 505157626 CEBOZRBHXSUUFM-KRWDZBQOSA-N 423.477 0.567 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1 507959445 WNLLDMJLWIMDSV-LBPRGKRZSA-N 409.464 0.604 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cn1 508036481 FNHOZPOYAOFPAI-UHFFFAOYSA-N 400.464 0.365 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508851334 ZAGRKIOXHWOKEG-CYBMUJFWSA-N 402.459 0.822 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 508871564 FYJMTUWJDCRPSO-INIZCTEOSA-N 419.507 0.876 30 20 HCED CC[C@H](CCNS(=O)(=O)N(C)[C@H](C)CC#N)NS(=O)(=O)N(C)[C@@H](C)CC#N 509428125 BKJRFGZPWYUTDO-QLFBSQMISA-N 422.577 0.292 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C3CCN(S(N)(=O)=O)CC3)C2=O)cc1 509724208 KDMCCTLCGABFTC-INIZCTEOSA-N 405.480 0.085 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2CC)c1=O 512757203 FWQYXJGDZZXLEY-UHFFFAOYSA-N 409.471 0.725 30 20 HCED CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 522161593 KZWQOMGDFJSLPW-XJKSGUPXSA-N 424.548 0.995 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(OC)nc1 524232999 YHZADSOMAMIJKV-UHFFFAOYSA-N 410.430 0.691 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC(O)C1 533865094 HPDAFMMECHHDHI-NHCUHLMSSA-N 420.558 0.074 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)c(F)c1 537163328 OPNXXLXDYXRKLN-UHFFFAOYSA-N 401.435 0.684 30 20 HCED C[C@H](CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1)S(N)(=O)=O 542889453 WMCAAAHJJJKTLV-LRVUVFPRSA-N 408.480 0.158 30 20 HCED CCOC1CC(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 554892537 PZGNDLWTJTZBRA-UHFFFAOYSA-N 402.499 0.570 30 20 HCED N#Cc1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc2cc(Cl)ccn12 557484105 DGYJSZNQMLMTEJ-UHFFFAOYSA-N 402.842 0.367 30 20 HCED CN(CC(=O)N1CCN(c2cnccc2C#N)CC1)S(=O)(=O)c1cccnc1 564481064 KZYCJIVATGADFJ-UHFFFAOYSA-N 400.464 0.318 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)C1=O 573404314 OKTOCRFYYRHOTJ-HOCLYGCPSA-N 401.419 0.199 30 20 HCED C=CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 579175500 RQCKHOVCGJCCMR-KBPBESRZSA-N 417.509 0.211 30 20 HCED CC(CNS(=O)(=O)c1cncc(C#N)c1)CNS(=O)(=O)c1cncc(C#N)c1 581204197 PBYOAKMKEVCOCP-UHFFFAOYSA-N 420.476 0.113 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 584206516 UXOLHRLYDBKKGC-UHFFFAOYSA-N 424.507 0.415 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2)nc1 587648206 UBUKYUSLCBYSMU-IAGOWNOFSA-N 410.478 0.308 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)cn1 729031373 GXLLLDSOJFPFAF-UHFFFAOYSA-N 413.434 0.917 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)cc1 730397217 ROHQGYLGQCDGGX-HUSAPJIJSA-N 408.480 0.685 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nnc(S)n3CC)C2)C1=O 732078340 JPSWMLKMYPWDTN-LLVKDONJSA-N 406.468 0.270 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 746454610 OWFAUCAZHKINOF-UHFFFAOYSA-N 420.422 0.266 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)CC1 747277013 DZHONUHRQXMVPJ-UHFFFAOYSA-N 407.492 0.227 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)OCCC)cc2)CC1 749665453 BNSJXMDYOXABQB-UHFFFAOYSA-N 416.478 0.638 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)C1=O 753696915 MEAMZGQZJFDGTK-OLZOCXBDSA-N 407.448 0.376 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2Cl)c1=O 758076778 QQUUYHDIXDFQBW-UHFFFAOYSA-N 413.886 0.987 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C(C)C)s2)c1=O 758586454 UONWWFCYSDTQMN-UHFFFAOYSA-N 406.533 0.775 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)c1 760796130 MSSPDIDBUJEMPQ-UHFFFAOYSA-N 416.459 0.634 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cccc(C(N)=O)c1 764990095 NLUWVZGKINWFCR-CYBMUJFWSA-N 400.460 0.983 30 20 HCED CCSc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCOC)c2=O)c1 769888108 ZIMLURYXUOHAPG-UHFFFAOYSA-N 403.529 0.917 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 770750386 OZJKGKGBNKXLNF-CMOQCGFASA-N 404.373 0.960 30 20 HCED O=C(Cc1n[nH]c2c1CCCC2)NCC#CCNC(=O)Cc1n[nH]c2c1CCCC2 777297673 SVOHVMPNBIGCDC-UHFFFAOYSA-N 408.506 0.911 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 783479858 GMBSAUMBCQZBET-MRXNPFEDSA-N 417.487 0.931 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 783616450 IKSGGUQZNZMAEE-AWEZNQCLSA-N 418.541 0.144 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCCC34OCCO4)n2)cc1 785057406 GDBLVDWEUAPEHT-INIZCTEOSA-N 410.434 0.938 30 20 HCED C[C@@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)NC1(C#N)CCC1 787747331 XPZLHRVZUBPSRI-OAHLLOKOSA-N 414.466 0.400 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 789794706 INCNWJJXAPXXCF-UHFFFAOYSA-N 417.491 0.754 30 20 HCED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)NC1(C#N)CCC1 795837186 UDRIVDDUSHMBGV-OAHLLOKOSA-N 401.341 0.724 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C)[C@H]1CCS(=O)(=O)C1 802570347 PLQNCCHYWPHQPX-NSHDSACASA-N 403.382 0.996 30 20 HCED C#CCN=c1nc(N2CCN(C3CCC3)CC2)[nH]c(N2CCN(C3CCC3)CC2)n1 804453276 CVVVJTHAPIWXGC-UHFFFAOYSA-N 410.570 0.688 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@H]1CCCO1 809304348 IMBDWDQDPLNZAE-QZTJIDSGSA-N 416.453 0.205 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1CCCO1 809314072 XWZXTYMXUAYTOM-QUCCMNQESA-N 424.501 0.017 30 20 HCED CC1(C)CN=C(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)S1 810424466 RIUMOXZPFKGGQM-UHFFFAOYSA-N 421.548 0.862 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 852995721 RKXTVMBJTWWKEY-LBPRGKRZSA-N 401.448 0.841 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCN1C(=O)CCC1=O 913272708 LZJHXYGDAAYMGZ-OAQYLSRUSA-N 411.414 0.844 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)nc1 915777293 FAEDVHINBDQYAV-UHFFFAOYSA-N 420.429 0.769 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CCOC 916198048 BKBHIQRSNHWBNO-UHFFFAOYSA-N 421.906 0.475 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CS(C)(=O)=O 1158733669 LCRJIYNHCDJKAZ-ZFWWWQNUSA-N 413.521 0.651 30 20 HCED N#Cc1cn(CCNS(=O)(=O)Cc2ccc(Br)cc2)c(=O)nc1O 1213162138 QSDQPCPVDPWJAO-UHFFFAOYSA-N 413.253 0.703 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1295057253 JRUNIQQHASDPCC-UHFFFAOYSA-N 404.496 0.776 30 20 HCED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCOC1 1302685786 PPOJQEZXHBNWDF-MGPUTAFESA-N 412.498 0.930 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)CCOC1 1314143871 ZEMFZIBBHYXTEY-FUHIMQAGSA-N 404.515 0.999 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nnc(-c2cccc(C#N)c2)o1 1319288761 DBKFTBXYDXDWGT-OAHLLOKOSA-N 403.464 0.733 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CC(O)(CC#N)C2)cc1 1447924752 RCRFGCIUYMLWAB-NVXWUHKLSA-N 407.492 0.421 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1cccc(Br)c1C#N 1461480117 UYWOUSRAIKUZAV-DGCLKSJQSA-N 403.254 0.628 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F 1463952662 STPOLXSPPSKDNX-GFCCVEGCSA-N 400.423 0.626 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1503817494 FVBRQTVRACUNLC-CQSZACIVSA-N 411.466 0.532 30 20 HCED C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539817206 KJQMNMLZSAABOR-GFCCVEGCSA-N 424.914 0.973 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CC2)n1 1543066749 JBRVPRFXIPXHKW-HBIPHATFSA-N 403.512 0.780 30 20 HCED N#Cc1cn(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c(=O)nc1O 1586873419 JHMDQFRFYXPPQS-UHFFFAOYSA-N 405.817 0.957 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCn1cc(CO)nn1 1597137834 RONKZHIWOXGNOV-KRWDZBQOSA-N 413.530 0.926 30 20 HCED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1617926618 UOCHTKBQKYAPGM-HNNXBMFYSA-N 414.509 0.362 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CC1)C[C@@H](O)CCO2 1639080867 KWBBUBVJPMMVSV-ZBFHGGJFSA-N 407.492 0.758 30 20 HCED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1cccc(Br)c1C#N 1655975575 RLLQMUYZFKSBTR-UHFFFAOYSA-N 417.329 0.961 30 20 HCED CC(C)/N=C(/NC(C)C)SCC(=O)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12 1690140188 CGKQBDIOPXYUGG-IUODEOHRSA-N 412.537 0.693 30 20 HCED Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)N(C)C 1693516683 PQLMHGAJSVEVDH-KRWDZBQOSA-N 404.496 0.928 30 20 HCED CS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1750205395 WPDXHMFLLWSJIX-CZUORRHYSA-N 419.463 0.564 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1753584132 HNLANULBYJXMGX-JJADZGQKSA-N 404.511 0.827 30 20 HCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1766246874 RCGJSECWYPNIGA-MRXNPFEDSA-N 416.507 0.966 30 20 HCED COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(C)(=O)=O 1768875253 PQEYJKGKODQLIK-KRWDZBQOSA-N 408.459 0.945 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1778971091 IPBWCCZEIMJOCY-JLBMLGSFSA-N 406.527 0.861 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2[nH]nc4ccncc24)CCO3)c1 1780334302 ISOGTWWNXDQGHP-FQEVSTJZSA-N 405.418 0.915 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C2 1780802794 JNCVEKACNJGIGO-UIVXKWKOSA-N 410.515 0.813 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n(C)n1 1781391300 QRSLBDBIXOYEBE-AUUYWEPGSA-N 407.471 0.673 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1781400005 LCYVKKVXIZFHME-PBHICJAKSA-N 403.501 0.052 30 20 HCED Cc1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccc1F 1782011188 SAMWKKNOZCPNAR-OXQOHEQNSA-N 403.410 0.745 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782744542 CHCWLBWYPCATBF-FQEVSTJZSA-N 407.467 0.128 30 20 HCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)ccc1F 1783166385 WZWKHWLAWWQJPA-IIBYNOLFSA-N 414.437 0.206 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(C)on3)C[C@@H]21 1783532790 HCAFBMFJHRCCPA-GFXHUTCISA-N 416.478 0.364 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1783682949 GYXRSLVZKKTZFD-RCBQFDQVSA-N 424.457 0.964 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]3C2)C1 1784439317 UCHGTOYXZZBTNB-OHFALNGGSA-N 413.540 0.260 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784539290 MMAXUNRPSZBXQL-YXWQFLTLSA-N 416.613 0.405 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3c(c1)NC(=O)CS3)CCO2 1785427994 OMXYGIKNGRIUNH-FQEVSTJZSA-N 414.487 0.983 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C)cn3)[C@H]2C1 1785988775 TZSNHVYGXBVOJF-LAQRGFTBSA-N 402.495 0.951 30 20 HCED Cn1nccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786076668 NJGFJRYMCVHMCI-RIUAQFLGSA-N 419.482 0.542 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)C(C)(C)C)C[C@@H]21 1786857202 BUPAYRURUGWHDV-QAETUUGQSA-N 408.543 0.655 30 20 HCED Cn1cccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857302 KEZWNWMMBRKFMM-BQFCYCMXSA-N 401.511 0.900 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OCC)CC3)C[C@@H]21 1788576184 ZFDYLZPFDJVBHF-LUKYLMHMSA-N 422.522 0.883 30 20 HCED CN1CCN(C2(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C5(C#N)CC5)C[C@@H]43)CC2)CC1 1789805114 RFYMNWLERZCGSF-BZSNNMDCSA-N 415.538 0.050 30 20 HCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4CCNC4=N)C[C@@H]32)c1 1790271435 RKJPRQIDFOPHLV-WDSOQIARSA-N 424.505 0.300 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791182961 WBDLKPOHBNFWCW-XSLAGTTESA-N 422.526 0.780 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791647746 JPZKDNODFMZFST-QZWWFDLISA-N 406.487 0.449 30 20 HCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCOCCNC(=O)OC(C)(C)C 1793253326 QOOGZXRPOKMNMJ-BJWYYQGGSA-N 423.510 0.816 30 20 HCED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1793431539 YGUGEIWKHHSZAZ-NASWQRNTSA-N 418.881 0.926 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1nnc(C)s1 1796257645 QTPKOXKAPVPPOP-BSBPSHLESA-N 403.508 0.886 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1CCC3)C2 1797709762 AUQQMHHFGGOPKC-LTCOOKNTSA-N 402.495 0.606 30 20 HCED N#Cc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCN2CCOCC2)C3)c1 1798859143 JJSMKLXJZYEBBB-CEQLMSFQSA-N 412.490 0.484 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)C2 1800454809 DKMHKEHJMZLRRA-KYHPRHEASA-N 405.495 0.999 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C)c1C(F)(F)F)C2 1800985710 OCGBQHJOAQTJPB-MMWGEVLESA-N 406.430 0.960 30 20 HCED O=C(CSc1nc[nH]n1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1801300331 RNCLVOUTBZXGCY-HGKCTWBKSA-N 411.487 0.538 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1803598982 TVPRFVJOELBRJU-JQHSSLGASA-N 418.567 0.882 30 20 HCED CN1N=C(C(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@@H]2c2cccnc2)CCC1=O 1804117566 BQUSCNSXZRUYPS-MAUKXSAKSA-N 408.462 0.999 30 20 HCED COC(OC)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807143277 LIAMGGRYAUHWCO-DLBZAZTESA-N 417.510 0.988 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)Cn3cncn3)[C@H]2c2cccnc2)c1 1807603120 KXZNEKVNGIDKRN-QFBILLFUSA-N 404.434 0.893 30 20 HCED COc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)c(C#N)c1 1808164618 IZGJSMZYDJUMLQ-OXJNMPFZSA-N 424.457 0.521 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C(=O)NCC(C)C)[C@H]1c1cccnc1 1808443668 AFNROJQRBUQJPA-BHIYHBOVSA-N 414.506 0.898 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1808845904 QKJCSVULNIKQGB-KYJSFNMBSA-N 424.523 0.933 30 20 HCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810217356 SLBOSAIQIGOMFE-OXQOHEQNSA-N 413.478 0.946 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@H]2c2cccnc2)c1 1811539764 WLWSTEHNNWTQKI-FCEWJHQRSA-N 406.446 0.880 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)CC1 1813173396 UQUXSCKVQCMEMX-KXBFYZLASA-N 407.430 0.316 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@H]1c1cccnc1 1814225975 HLTVGGTZVMMQEL-YQQAZPJKSA-N 403.483 0.329 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CNC(N)=O)[C@H]2c2cccnc2)c1 1814229263 DVEBRQFMJISHOL-IEBWSBKVSA-N 406.446 0.941 30 20 HCED CC(C)[C@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1815240966 SJMIPQXMIGCHCZ-ZOWXZIJZSA-N 422.511 0.954 30 20 HCED C#CCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822027970 CGZNCKBOCZVVGT-KRWDZBQOSA-N 405.499 0.492 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](O)N2CCOCC2)CC1 1824507593 OPFPBAGVEBFZAH-JUXOCIIHSA-N 423.554 0.848 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCNC(=O)C3)sc2C1 1826212195 HBXWWUKMUNLSFD-AGIUHOORSA-N 404.492 0.620 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063869 ABQCFCURSSJDQR-IERDGZPVSA-N 416.478 0.855 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1831218051 JDUKSIJARCSHPC-LJQANCHMSA-N 402.407 0.406 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1831395978 DZLZCYNGOROJSA-AUUYWEPGSA-N 422.869 0.238 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)[C@@H](O)C=C)C2)C1 1831396108 HZCCXCPNHQJJIL-LLGFUMIMSA-N 408.495 0.054 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)n1 1834246357 FRVXPQAIDJCKBE-YUSOBQLHSA-N 415.450 0.202 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)cc1 1834388752 VWABIOPYKHQXJD-JOCHJYFZSA-N 423.473 0.719 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)N(C)C(=O)OC(C)(C)C 1834765985 PQSURQDHCGEECJ-FOIQADDNSA-N 424.498 0.612 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835191747 DXKNMDMEOFYUQY-JXFKEZNVSA-N 411.499 0.670 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)C1 1835993542 ZQKACJFJZIIXSL-OAQYLSRUSA-N 401.463 0.271 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)c1 1836488486 XZQOKLUIRXLJOW-OAQYLSRUSA-N 409.446 0.594 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1836859597 QJKDBKXGRWKJJZ-YJBOKZPZSA-N 422.526 0.470 30 20 HCED COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440042 AQLXNLWBDMCRQU-TTYLXTBDSA-N 410.515 0.340 30 20 HCED Nc1nc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cs1 1837893295 NADGYDLFMDERBX-UHFFFAOYSA-N 406.464 0.426 30 20 HCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)c1 1838581272 KHPBBTBZCLNRTA-UHFFFAOYSA-N 413.478 0.839 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1839222771 AAAMCBPDDRNLTP-FOIQADDNSA-N 421.450 0.720 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839227445 FMPDPDCNWCZNMA-MVVOQFOESA-N 423.510 0.811 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424745 AMQXCLXRFWOSDP-DJJJIMSYSA-N 407.854 0.662 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1839839131 VXALFYGTHBKWPU-QRWLVFNGSA-N 406.483 0.263 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1840844365 RGQMAWCUXDGRCS-OFNKIYASSA-N 424.501 0.622 30 20 HCED CN1CCN(CC(=O)N2CCCC23CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CC1 1843915265 WZOKXQYNLYIHFK-UHFFFAOYSA-N 421.505 0.499 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301375 KKUUCDNWFHEOLN-VEVLKRQGSA-N 404.471 0.647 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(C)=O)C1 1846007051 BLRARDJXRGPDSO-GDBMZVCRSA-N 420.510 0.631 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)N1CCCC1 1847830016 AEJNTYGXYJOZAP-DZKIICNBSA-N 403.570 0.568 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848138698 PPPHVCRNCVOMCX-ULQDDVLXSA-N 400.479 0.586 30 20 HCED CN(C[C@H](O)COc1ccc(C#N)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 10430076 YRPPKYRSRLRSNJ-KRWDZBQOSA-N 421.457 0.915 30 20 HCED COCCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 23304118 FLJPZMVEPKEUAV-UHFFFAOYSA-N 415.538 0.930 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 48589675 FRHBOXCJOOOSCA-ZDUSSCGKSA-N 400.416 0.987 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 304764540 YCNVKABWZPRQRV-HNNXBMFYSA-N 419.548 0.000 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)cc1 439050045 KVPVLJLQXZMKEZ-KRWDZBQOSA-N 409.508 0.764 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C1=O 440236842 AXHDYKDAGJZFNL-AWEZNQCLSA-N 408.480 0.121 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 440253918 JKKLNXRBGQCURP-MRXNPFEDSA-N 420.491 0.311 30 20 HCED C[C@]1(C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC2)NC(=O)NC1=O 441169788 CHBPFYGUZBDCTR-GOSISDBHSA-N 403.826 0.987 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442041658 HUEJNYYQWAISPR-AAEUAGOBSA-N 401.448 0.639 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 442269185 KETRNRPPXWZXBS-UHFFFAOYSA-N 400.479 0.864 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)ccc1C 442269373 YLNZYJQPLHFERV-UHFFFAOYSA-N 416.459 0.909 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)ccc1F 442423537 YRLNNLAJWCEWNK-UHFFFAOYSA-N 421.410 0.298 30 20 HCED CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443101343 IDMFAEFVPPSAEK-OAHLLOKOSA-N 407.452 0.394 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CCN1Cc1ccccc1 444586850 RTRJWRZENCRMBK-SFHVURJKSA-N 416.445 0.837 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 460685431 AJSQEROXDHPFMI-DJIMGWMZSA-N 406.446 1.460 30 20 HCED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 461342862 UVYOYHZPRAHOOG-UHFFFAOYSA-N 419.503 0.673 30 20 HCED N#CCN1CCN(C(=O)Cc2ccc(CC(=O)N3CCN(CC#N)CC3)cc2)CC1 461658830 GXTPWBVCADEJTH-UHFFFAOYSA-N 408.506 0.107 30 20 HCED N#Cc1ccc(N2CC[C@@H](N3CCN(S(=O)(=O)Cc4ccon4)CC3)C2=O)cc1 464728838 FXSHVYGKBKSKFE-GOSISDBHSA-N 415.475 0.799 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N(CCO)CCCO)ccc21 471019043 OCFIHDLOTBYZIL-UHFFFAOYSA-N 402.451 0.411 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 471145032 LPJMVGRRQAVFRN-FQEVSTJZSA-N 412.538 0.101 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 476694544 SYXSZUMABIZZKA-LJQANCHMSA-N 423.433 0.693 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2Cl)c1=O 480180367 AHXVZCJYBYRERC-CYBMUJFWSA-N 403.891 0.898 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 485745763 QVTGTGICUSZIRN-OALUTQOASA-N 402.520 0.858 30 20 HCED Cc1ccc(NC(=O)COc2cnc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 488777996 CUSJVEZYJNWCPZ-UHFFFAOYSA-N 417.447 0.695 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3nnco3)ccc2C)CC1 491039508 UCBSVRZANJEMRQ-UHFFFAOYSA-N 412.450 0.430 30 20 HCED CNS(=O)(=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 503292865 RFPJDUKFIDTNSH-AWEZNQCLSA-N 415.313 0.707 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)nn1CCC#N 506750977 OALXIJPEKKSZQF-OAHLLOKOSA-N 410.434 0.800 30 20 HCED COc1cc(Br)cc(C)c1NC(=O)C(=O)NCCn1cnc(C#N)n1 508364017 OZDYCUMHEUKYOU-UHFFFAOYSA-N 407.228 0.984 30 20 HCED COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508364410 YYWKTWVBHHDVSM-LLVKDONJSA-N 406.830 0.972 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 508941275 ILCYXLLHTNUKBH-UHFFFAOYSA-N 409.450 0.290 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CC(C(=O)NC(CC)(CC)C(N)=O)C2)c1 508996182 MZQVPNZDRIFVHT-UHFFFAOYSA-N 416.478 0.809 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 510003724 AQZYJEGCKUNIDV-MRXNPFEDSA-N 415.560 0.016 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cccc1-n1cnnn1 515945349 OANOZFYAFMNHFE-UHFFFAOYSA-N 417.433 0.525 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 517950566 RFSJQOHBGAXKMO-INIZCTEOSA-N 408.462 0.959 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)n(CCC#N)n1 521474056 KVEOKVJQLZNTEZ-UHFFFAOYSA-N 403.487 0.152 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OCC)c2ccc(F)cc2)C1=O 523382119 VDEQKSRKQRWTKW-CQSZACIVSA-N 405.382 0.913 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C#N)cs2)c1=O 530654385 OYXOYGFLIBSCKP-UHFFFAOYSA-N 416.528 0.907 30 20 HCED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCC2 536482866 STZNIJAEJSKSMF-CYBMUJFWSA-N 402.480 0.984 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1C 539161944 SLFZSYLXCNQPDO-QGZVFWFLSA-N 409.446 0.987 30 20 HCED CCCCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 552396990 MSZYJVSHTIIQRZ-OAHLLOKOSA-N 403.531 1.025 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(=O)N1CCOCC1 553809546 LPAMKMFXHOWREL-JTQLQIEISA-N 402.270 0.846 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 553986978 ZRQMOKIXHOPYSG-UHFFFAOYSA-N 411.462 0.310 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)Cc1cccc(C#N)c1 557496433 UVWZGORPEBRTGI-MRXNPFEDSA-N 400.526 0.639 30 20 HCED C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCCC1 560008445 NPATZLWIRHARPE-VQIMIIECSA-N 411.506 0.623 30 20 HCED COc1ccc(CN2CC[C@@H](Nc3c(C#N)c(=O)n(C)c(=O)n3C)C2=O)c(OC)c1 561430028 AFPYEBHGPSKIGA-OAHLLOKOSA-N 413.434 0.186 30 20 HCED CCN(C)C(=O)c1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 564748462 UREOPJBRHVLKGA-UHFFFAOYSA-N 411.466 0.985 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 569021139 WIIPQGLEGCTLOZ-INIZCTEOSA-N 402.480 0.696 30 20 HCED CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(F)(F)F 572668427 MUOFRLQREWAWAW-NSHDSACASA-N 403.379 0.798 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 574953017 QVLMEPCBMYIFLL-UHFFFAOYSA-N 422.510 0.079 30 20 HCED Cn1[nH]c([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1=N 584244993 IWDLKCHJOWDIJV-CQSZACIVSA-N 403.468 0.397 30 20 HCED CN1CCC(CNC(=O)C(=O)NC2CCN(CC#N)CC2)(N2CCCCC2)CC1 588125509 DJBUDHHSLSUSFJ-UHFFFAOYSA-N 404.559 0.157 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1 603788745 XEEQJQBGITWDDX-UHFFFAOYSA-N 420.494 0.950 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H](O)C1CC1 610571759 KHLPDBZHSFFTPD-KRWDZBQOSA-N 406.508 0.094 30 20 HCED C=CC[C@@H](CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 679819560 PYQGVOQGAQSCJN-INWMFGNUSA-N 402.900 0.765 30 20 HCED Cc1ccc(NC(=O)CSCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908405 KFNHOPCISIFUSY-OAHLLOKOSA-N 423.516 0.633 30 20 HCED CCN(CC)C(=O)CN1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 738298890 IXKWUUDEJMRAFQ-KRWDZBQOSA-N 424.505 0.998 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741217431 FQVKCVPVSHIKKO-IBGZPJMESA-N 419.570 0.738 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(S(C)(=O)=O)CCCC3)CC2)o1 750272478 NPJJXGCTUOWFEG-UHFFFAOYSA-N 424.479 0.404 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CC1 754241119 VWRODKXMVZMJKJ-HXUWFJFHSA-N 417.941 0.261 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O 754844697 FWSYJWQHOOKOAN-GUYCJALGSA-N 401.444 0.865 30 20 HCED O=C(NC1CC1)N[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 761026145 RUEKPVYGZYHHFW-CQSZACIVSA-N 419.507 0.568 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2cn3cc(Br)ccc3n2)CC1 761036543 HGTGNRWAHXDTQT-UHFFFAOYSA-N 412.313 0.682 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CCOC 763301046 NHYFVPGQAPGNNH-UHFFFAOYSA-N 416.503 0.379 30 20 HCED CCCCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680073 KSFHMTPEDHKGLH-LBPRGKRZSA-N 410.452 0.394 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(CC(=O)OCC)C2)c1 768791242 LZYNSRHXADSCEW-INIZCTEOSA-N 408.476 0.782 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](CO)OC[C@@H]1C 768999560 NLEFGOCYQJLISM-LZWOXQAQSA-N 409.508 0.748 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769672550 JYGDARUVRVBYDJ-SNVBAGLBSA-N 418.362 0.805 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 773438964 AVFAGAVEJIKWAA-HNNXBMFYSA-N 419.445 0.812 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 780057024 NRMSGMKTIPINFQ-GJZGRUSLSA-N 401.467 0.620 30 20 HCED C[C@H](CC(=O)O[C@H](C)CN(C)S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 786620266 ZOVRTHWLEULATA-VXGBXAGGSA-N 417.509 0.327 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)c1 786663127 NUOMJJSDLIVRHH-UHFFFAOYSA-N 404.423 0.408 30 20 HCED C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787680948 IKAOMXHXTJSWQO-MAZHCROVSA-N 403.410 0.895 30 20 HCED C#CCC1(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 788212186 FNSDXIBOURASHR-KRWDZBQOSA-N 410.536 0.835 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 792450212 OSBSGOIDFDBCBW-CYBMUJFWSA-N 411.455 0.703 30 20 HCED CS(=O)(=O)CCS(=O)(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 795239053 NYVAYVOSUQTJFH-OAHLLOKOSA-N 405.929 0.897 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H](C)C(=O)NCCF)C1=O 799863310 BKUBWCNLIYWBBF-YGRLFVJLSA-N 424.454 0.957 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1C#N 800651346 ZZYDXYFVTPGSIL-ZDUSSCGKSA-N 408.436 0.711 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 801156255 ZOBLNTHROOOBTK-BMRADRMJSA-N 410.427 0.332 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)NCCOc3ccc4c(c3)OCO4)CC2)cn1 801553835 XYCDHJBULDXPBP-UHFFFAOYSA-N 409.446 0.999 30 20 HCED COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 802163417 OYIDHLRIXWVTIM-MFKMUULPSA-N 421.479 0.794 30 20 HCED N#Cc1sc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc1Cl 804350360 ZQQQPMOHQLLOKL-UHFFFAOYSA-N 401.857 0.871 30 20 HCED Cc1ccc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 807588192 UGPYSHGAPWZBOH-QGZVFWFLSA-N 406.446 0.712 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CCS(C)(=O)=O 809890737 HOGUFIIJMIHPRX-UHFFFAOYSA-N 402.484 0.978 30 20 HCED C#C[C@H](CC)Oc1ccc(COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 816047136 WVDGVRCOZAFYBJ-OAHLLOKOSA-N 410.430 0.968 30 20 HCED C#CC[C@]1(C(=O)NCCCn2c(=O)ccn(C)c2=O)CCCN1C(=O)OC(C)(C)C 816379707 UNMODYXLUYYLIC-OAQYLSRUSA-N 418.494 0.846 30 20 HCED C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N(C)CCC#N 818682064 DDZGTMKYGMHNQJ-LLVKDONJSA-N 402.860 0.707 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(F)c2)c1=O 838178871 YYMMPJBKPQDUHJ-CYBMUJFWSA-N 419.478 0.349 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 916871360 SFCSAABKLFKRDS-RDJZCZTQSA-N 407.492 0.949 30 20 HCED N#C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916890011 YNRKOZSTCISBCW-HNNXBMFYSA-N 417.443 0.939 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 918956295 CNZGBMPNGSXGIA-SZNDQCEHSA-N 412.446 0.931 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](O)Cn1ccnn1 1161187858 FNPHUYUZBOYILU-GFCCVEGCSA-N 424.255 0.867 30 20 HCED C[C@H](CC(=O)Nc1ccc(OCCO)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1179258355 JCXUBOPVGDECAV-GFCCVEGCSA-N 404.448 0.909 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC(=O)NCC1CC1 1306194690 PQUFDKMLXSEFMG-UHFFFAOYSA-N 411.514 0.607 30 20 HCED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](C#N)C1 1318300424 KTNJQLYOZJXQNH-WFASDCNBSA-N 413.883 0.624 30 20 HCED COc1ccc(OC)c2c1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C[C@@H]2O 1322603642 XDBKHHWSFWKEOV-SXZOAGKDSA-N 401.419 0.996 30 20 HCED Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1344028627 AKLWUKUCIDOZIO-CQSZACIVSA-N 406.402 0.737 30 20 HCED C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O 1360471875 QLVYSORJQWLOAS-GFCCVEGCSA-N 406.468 0.961 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)CCOC)CCOC1 1502729736 SENJVDRXPFYZTN-ATZDWAIDSA-N 409.487 0.446 30 20 HCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)C1 1503677670 IQJUVGYRKPMLNF-OAQYLSRUSA-N 409.494 0.585 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)[C@H]3CCOC3)CC2)cc1 1546305067 QNRKWGBRRBMHRI-FUHWJXTLSA-N 407.492 0.473 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1 1554503262 CCCIGTFIIYYNQY-UHFFFAOYSA-N 412.479 0.792 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)CCO1 1555992229 LBRVBAPYRISYJD-OAHLLOKOSA-N 404.471 0.174 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1602858423 LPWASXXCTCTYFJ-QGZVFWFLSA-N 401.515 0.827 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1618127505 VWTVPZRYLCBEGK-ZBFHGGJFSA-N 404.854 0.928 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1618840323 OKGGVDUMOCAQBJ-KRWDZBQOSA-N 403.443 0.808 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1618842361 QVMSADRLNNKYHJ-HNNXBMFYSA-N 418.479 0.365 30 20 HCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2CC2)C1 1620171351 ZBLWRWVLIVCWEN-RHSMWYFYSA-N 412.491 0.853 30 20 HCED N#Cc1cn(CCNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c(=O)nc1O 1641030740 XACQPZRYHIRLLR-CQSZACIVSA-N 413.409 0.628 30 20 HCED CCOC[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1661281130 YSLBXYAEUYDSDL-HNNXBMFYSA-N 415.537 0.867 30 20 HCED C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1693872129 MDFSXDJVJFVART-AUUYWEPGSA-N 417.491 0.591 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1729214365 NPBUCQUREXMSPS-AWEZNQCLSA-N 407.500 0.674 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCOC1 1741916219 VHVNABGMAWHKHS-SUMWQHHRSA-N 412.516 0.170 30 20 HCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC(=O)N1C 1743254869 OXLCVCASWNORKY-AWEZNQCLSA-N 416.507 0.918 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1778520492 DPRGOKWBBPMKAU-HRAATJIYSA-N 411.462 0.520 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1778853397 LEKHXKDMBAPXEO-KINKYLCASA-N 416.522 0.015 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779100034 RDSRJMXSDBUDPM-JJOCEZFHSA-N 419.482 0.550 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)NC(=O)c4cnccn4)C3)C2)C1 1779176581 UAXFOAOBJMATCJ-BTYIYWSLSA-N 413.478 0.391 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)n2nc(C)ccc2=O)C1 1779508347 ZYOSOPBVKOSBHO-IIBYNOLFSA-N 400.479 0.434 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncc2O)C1 1779615385 SAGAZYYFRDLIRJ-RRMPHLOHSA-N 401.463 0.953 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)c1Cl 1780098547 VPBSSZZNWKJFKW-RZQQEMMASA-N 419.913 0.625 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)NC=O)CCO3)c1 1780172777 CHIIDUOJTCDZPS-VBKZILBWSA-N 400.435 0.145 30 20 HCED Cn1nc2c(c1C(=O)NC[C@@]13CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C3)CCC2 1781371789 AGTKTLGKSLGJLJ-IIBYNOLFSA-N 414.462 0.124 30 20 HCED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781396394 LZQZZYKASOHNIM-RDTXWAMCSA-N 413.544 0.101 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)Cn4nccn4)C3)C2)c1 1781418284 DJSUXUVAQQZDSD-NRFANRHFSA-N 408.462 0.612 30 20 HCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1781691071 ZOIHBDFMSRXMOD-VQIMIIECSA-N 405.476 0.246 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1782939094 JDZGILNBFOFYCT-LAUBAEHRSA-N 420.506 0.788 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccn34)C[C@@H]21 1784484024 NZZWPYMHZJBFMR-DWRORGKVSA-N 410.474 0.966 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](OC(C)=O)C(C)C)C[C@@H]21 1784485553 PUWGAHUGLFSHPG-VINWQNLFSA-N 408.495 0.592 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785262334 CXOZHEUZXAJPOR-YCRPNKLZSA-N 404.438 0.800 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cnc[nH]1)CCO2 1785378625 LHROZNGXPSCCTL-OAQYLSRUSA-N 409.446 0.733 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3F)[C@H]2C1 1787192648 DXFPYNDJSWNEEL-MJBWGRTLSA-N 416.453 0.672 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]21)C(F)(F)F 1790880775 UBXMAGKWIXOHLN-XUXIUFHCSA-N 405.417 0.999 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791602329 AHTKSVUPUYAPBO-QZWWFDLISA-N 419.482 0.636 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])o1 1792355894 WOEWHWGXLCTUDK-LMWOUKEDSA-N 407.423 0.964 30 20 HCED 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CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 32831418 NLJMBTTUGVIRPH-SFHVURJKSA-N 423.495 0.956 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 50169832 BJWGQAFPMHIHGJ-CQSZACIVSA-N 401.467 0.564 30 20 HCED CS(=O)(=O)c1nc(C(=O)OCC(=O)N(CCC#N)CCC#N)c2ccccn12 139004989 JFDZLXAGTRSLNH-UHFFFAOYSA-N 403.420 0.551 30 20 HCED CN(C)CCOc1ccccc1N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410196873 BFZAYUZDKJFSJO-QGZVFWFLSA-N 423.539 0.218 30 20 HCED N#CCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 427849483 FSGDOBRFIACIQD-UHFFFAOYSA-N 400.844 0.329 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430381077 TWVLCRATJLFRGJ-UHFFFAOYSA-N 420.491 0.765 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 437743301 IFYWLDFLXJRDRK-ZFWWWQNUSA-N 402.451 0.895 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)C1=O 440239568 GLCGWFPJWWBHOD-MRXNPFEDSA-N 416.482 0.126 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 440377576 DHGKPIAPARCBHQ-AWEZNQCLSA-N 409.468 0.212 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442041661 HUEJNYYQWAISPR-YPMHNXCESA-N 401.448 0.639 30 20 HCED Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 443311479 XVYSUBGQLNLRAR-OAHLLOKOSA-N 401.423 0.089 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c(Cl)c1 446892164 IKGDVNJMNORGRX-UHFFFAOYSA-N 412.837 0.993 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 461318006 ZJAHPOWDZGFCNO-WEBKGQRMSA-N 420.429 0.937 30 20 HCED N#CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 465139464 JUUCIMHYXSPOCU-MRXNPFEDSA-N 407.452 0.416 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 465419026 ABBCTMDCTKPMTQ-ZDUSSCGKSA-N 407.434 0.052 30 20 HCED Cc1nsc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n1 469665280 MKZNWCPIURFCED-UHFFFAOYSA-N 405.505 0.982 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCC3CCN(S(C)(=O)=O)CC3)CC2)c1C#N 472068713 GEFXBBOGLGTIBC-UHFFFAOYSA-N 423.543 0.103 30 20 HCED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@H]1CCCN(CC#N)C1 473700949 YWTMBQZPZJXYGO-CXAGYDPISA-N 400.401 0.970 30 20 HCED CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 478899063 JEUZVCSOHYPUFI-CQSZACIVSA-N 413.400 0.800 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 480780317 NXXVDELOMHIEBR-CYBMUJFWSA-N 421.500 0.945 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C#N)cs2)c1=O 481980437 XRBMKZPQUWRSPX-UHFFFAOYSA-N 412.496 0.391 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 482554744 MMPSMUPGDCWABA-GFCCVEGCSA-N 414.512 0.683 30 20 HCED Cn1cc(-n2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2=O)cn1 486014017 XMBOSYGGCOMXTA-LJQANCHMSA-N 416.441 0.974 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488649603 NJZSVLQKVNGADF-KRWDZBQOSA-N 410.434 0.257 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)nc1 490770464 CSABJMMWHOTKIV-UHFFFAOYSA-N 420.385 0.806 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1Br 500690372 SHIJGCMCSGNOLT-NSHDSACASA-N 406.196 0.022 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 502263639 XZHPKPYPUFBCHU-RTBURBONSA-N 402.495 0.759 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(Cl)c1 503452369 YZAACPYSIQJTBL-ZDUSSCGKSA-N 421.928 0.978 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCCC3=O)CC1 504671679 ZWAGJFGECXRSNB-UHFFFAOYSA-N 400.435 0.037 30 20 HCED N#Cc1ccccc1CSCCNC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 505668948 BVYFLRBVKSWSCX-MRXNPFEDSA-N 424.548 0.784 30 20 HCED C[C@H](Cc1ccncc1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 506871468 KJXXPEKAIKVAQY-DNVCBOLYSA-N 405.458 0.918 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CC#N)CC3)cc2)C[C@@H](C)O1 508052588 HMDATZCSFOYBLE-IYBDPMFKSA-N 406.508 0.766 30 20 HCED COC(=O)c1ccc(-n2cc(C)cn2)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508323266 DTNIFGWJMGBFKN-UHFFFAOYSA-N 422.405 0.185 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC[C@@H](C)c2ccc(OC)cc2)CC1 509037551 DTAZVWUBCMMMIM-QGZVFWFLSA-N 416.522 0.751 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)nc1 509970278 QCDKSCUTJAYYQP-UHFFFAOYSA-N 418.479 0.694 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 510529691 PPFQYYKPNXJGLU-OAHLLOKOSA-N 409.487 0.953 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 510685347 OAEVDYWXRGJOPI-INIZCTEOSA-N 421.461 0.857 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C(N)=O)s2)CC1 522222775 NQANUUXHAZMZSW-UHFFFAOYSA-N 404.473 0.865 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)n(CCC#N)n1 533456278 BXJOOSOYTWLYMP-GFCCVEGCSA-N 407.377 0.878 30 20 HCED Cc1cc(=NC(=O)[C@@H](C)SCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)[nH]o1 535026961 BKXTXUUJIZDHOI-LLVKDONJSA-N 405.484 0.733 30 20 HCED COC(=O)CNC(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 535839225 ZTTZGXUHSJHCHU-UHFFFAOYSA-N 415.406 0.428 30 20 HCED C=CCNC(=O)CNC(=O)CNC(=O)c1ccccc1I 537520937 SXPDHXWYUFJMEH-UHFFFAOYSA-N 401.204 0.439 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)ccc1OCC(F)(F)F 542595695 LEPMWHOFHSBISJ-CQSZACIVSA-N 412.368 0.981 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 549251602 WTSLCOLGNXRURW-OAHLLOKOSA-N 412.560 0.765 30 20 HCED C[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 554150839 NUPKVUOKLWQXOU-DUVNUKRYSA-N 401.442 0.566 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)C1=O 561271928 BATVMPCUTCDXSH-QGZVFWFLSA-N 410.478 0.746 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(NC(C)=O)c2)C1=O 570312528 TTZLNCGWYGVZEV-MRXNPFEDSA-N 402.451 0.515 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 576541265 KILPHOAJWVTCFG-KGLIPLIRSA-N 408.480 0.730 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 579740758 NUPXCNWSNISJHP-UHFFFAOYSA-N 406.446 0.278 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1 609282710 ICZITNSPYXMHOJ-CRAIPNDOSA-N 412.446 0.544 30 20 HCED C[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1c1cnn(C)c1 610307931 KBTKWBCBXWAIHK-DYVFJYSZSA-N 415.475 0.517 30 20 HCED COC(=O)c1cncc(C(=O)NCC#CCNC(=O)c2cncc(C(=O)OC)c2)c1 614022021 IPWZQBSUCMMHQX-UHFFFAOYSA-N 410.386 0.213 30 20 HCED Cc1ccc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 616435207 KGNUHOUVMKYWON-MRXNPFEDSA-N 417.484 0.642 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)cc1 727008887 XOFPNAAKNVSIBO-UHFFFAOYSA-N 413.411 0.676 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 728571162 WZZLECWFJGZMPL-QGZVFWFLSA-N 411.506 0.507 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 728572502 HOFPCXZXCFVGSE-QFIPXVFZSA-N 400.523 0.876 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 731861217 POFPCGZXEAYAJE-OPGVCCBYSA-N 424.504 0.544 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 732795606 PAPVIJVFIDXVKL-UHFFFAOYSA-N 417.535 0.609 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 733149477 HMMHDXFVZFOMNS-UHFFFAOYSA-N 402.407 0.070 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 733149934 YVSLJWDBFMEDAB-INIZCTEOSA-N 416.909 0.977 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cn1 746363445 BOSFMDWUGKELBK-UHFFFAOYSA-N 417.407 0.299 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC(N)=O)CC1 748550217 BTGBYRFRNVXORS-OAHLLOKOSA-N 421.523 0.799 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)COc2ccc(S(N)(=O)=O)cc2)C1=O 751658287 QMIUYAMBHFGPCK-CQSZACIVSA-N 421.456 0.995 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2c(=O)nc(O)c3ccccc32)[C@H](C#N)C1 758771316 NRPMWKCUSWNLKB-TZMCWYRMSA-N 413.434 0.977 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)COc3cccc(C#N)c3)CC2)cn1C 765784576 RWNLYSHFTFOEIS-UHFFFAOYSA-N 403.464 0.512 30 20 HCED C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3cn(CC(=O)O)nn3)nc2)C1 768481855 FZQWVBXNGMSDAY-CHWSQXEVSA-N 421.483 0.870 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)cc1 772805355 SPEFRMXXGQCAQM-WBVHZDCISA-N 410.492 0.084 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)[C@H]1CCCO1 773795887 ZOTKBLPARPWTMS-GOEBONIOSA-N 423.491 0.571 30 20 HCED C#C[C@H](N[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 775789651 MIKXAPXJKQQPNO-ZYSHUDEJSA-N 421.519 0.805 30 20 HCED Cc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1OC(F)F 777887037 DFNRFOKSCRDNQO-UHFFFAOYSA-N 402.379 0.306 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1sc(C(=O)OC)cc1Br 777952562 OYBZDARMWOVUEE-UHFFFAOYSA-N 411.255 0.984 30 20 HCED COc1ccc(C[C@@H](C)C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1OC 781454335 MTUMCAPIVHKQBA-UKRRQHHQSA-N 408.476 0.848 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)cn1 784757679 ADQQMQOTYMLQMV-NSHDSACASA-N 400.468 0.966 30 20 HCED COC[C@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 785078619 FRRKIGGRWBWLOE-AWEZNQCLSA-N 410.448 0.956 30 20 HCED C[C@H](O)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)CO 786012789 WRXNYDBEEWLZTP-CABCVRRESA-N 411.524 0.876 30 20 HCED C[C@H](OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)NC1(C#N)CCC1 786995829 JTQBWCOFLPOBHY-HOTGVXAUSA-N 406.483 0.194 30 20 HCED CCOC(=O)CON=C(C(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1)c1cc[nH]n1 789948665 CJIDZYFYUUVDKZ-OKILXGFUSA-N 409.487 0.698 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)CC1 802782585 YKRXIOBZPOARKL-UHFFFAOYSA-N 402.473 0.219 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 804049020 AXYMGTFZAZUGNI-PXNSSMCTSA-N 412.490 0.907 30 20 HCED CCS(=O)(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 804548907 RFPQPQBZLXKHEL-UHFFFAOYSA-N 412.899 0.411 30 20 HCED C#CCCCNC(=O)C(=O)NCCNc1ncnc2c1c(Br)nn2C 804850921 FJYRGSOKXZYCCM-UHFFFAOYSA-N 408.260 0.184 30 20 HCED CC(=NNC(=S)NC[C@@H]1CCCO1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916312238 PFZLHGFKMRKWJR-ZDUSSCGKSA-N 414.509 0.417 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NC3CC3)CC2)cc1 916926643 PMMKUKFHRDBYBE-KRWDZBQOSA-N 400.460 0.946 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCS(=O)(=O)c1ccccc1 921154916 MDBRIYPWUQXQAY-UHFFFAOYSA-N 421.500 0.705 30 20 HCED C=CCN(CC(=O)OCC)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 921292723 OIYBWUQHTXZFAC-UHFFFAOYSA-N 416.521 0.889 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1CN1CC[C@H](O)C1 1319975094 WEFXXMBWRXCDHV-SKQREZPOSA-N 413.478 0.579 30 20 HCED N#Cc1ccc([C@H](NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C(N)=O)cc1 1339291260 YBTSTFJVMSQUNA-SFHVURJKSA-N 406.508 0.647 30 20 HCED CO[C@]1(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 1434987216 WOPAPFYRYXFXEG-LJQANCHMSA-N 405.476 0.939 30 20 HCED COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1S(C)(=O)=O 1436784277 MOGSJRPBKVJXAR-UHFFFAOYSA-N 423.472 0.776 30 20 HCED COC(=O)CCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C 1446975954 RVAVNNUMHUXVPD-AWEZNQCLSA-N 422.507 0.211 30 20 HCED 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CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447401 MTLPBDKNANZTJJ-UKKLRFBMSA-N 423.558 0.255 30 20 HCED COCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527606 QUAIDHRZUDRIOS-FRJAKYGPSA-N 413.471 0.008 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838069529 UQBGXTYFEBANNT-WFASDCNBSA-N 400.545 0.750 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)nn1C 1838271810 ZXPWMDNSOZBAJO-HXUWFJFHSA-N 403.483 0.602 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838512323 NNPMSTGCOWPAGY-IIBYNOLFSA-N 421.494 0.822 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)O)C2)C1 1839174744 UXZYOIRHMKSUHV-FQEVSTJZSA-N 412.483 0.113 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnn5c4OCCC5)CCO3)C2)C1 1839516262 IRGMOBAUWJPRIG-NRFANRHFSA-N 416.478 0.702 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1839808359 OPOFAJVJZDIHTG-IBGZPJMESA-N 406.822 0.772 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2)C1 1839838875 ROSMYMIKEMBABS-BXWFABGCSA-N 416.540 0.336 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1839843014 NUPIRNIHTZDHAC-HRAATJIYSA-N 416.478 0.689 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1839889301 NOMCBTHFRBPIOA-HPGBDJQBSA-N 422.494 0.813 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 1840040113 OLSDUIUHVMZTOO-KDOFPFPSSA-N 414.405 0.356 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1840168754 PUUYPABXCRRCDP-QGZVFWFLSA-N 420.384 0.352 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840169454 FFWKHCWZBVQABP-OAQYLSRUSA-N 416.478 0.375 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840365814 OEWJZIRQPVTPCA-HTAPYJJXSA-N 414.506 0.775 30 20 HCED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813516 DIWBKHRGUCGEET-HXUWFJFHSA-N 416.482 0.623 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)CCC1 1840813952 HAVRFZUKSBWPMM-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840841131 DVEXCZWXKGFQIF-JOCHJYFZSA-N 423.473 0.751 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730893 UIMJEHLZNJYWHF-IBGZPJMESA-N 412.442 0.736 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846981098 RPAJJFRGYDILQO-HXUWFJFHSA-N 415.446 0.756 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)CCOCCOCCOCCOC)C2 1846998648 MZXCLKNHOMXTNL-UHFFFAOYSA-N 410.511 0.690 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 17762055 JKXHXBSWQMTBRO-UHFFFAOYSA-N 419.843 0.691 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 54877547 UUERLAUHFGDTMM-CQSZACIVSA-N 408.480 0.824 30 20 HCED Cn1cc(-c2nc([C@H]3CCCCCN3S(=O)(=O)N3CCO[C@@H](C#N)C3)no2)cn1 409510570 MZQIWHVCSFSWPO-LSDHHAIUSA-N 421.483 0.856 30 20 HCED CN(CCNC(=O)C1CCN(C(=O)Cn2cnc(C#N)n2)CC1)Cc1ccccc1 426864785 QKQBJSCTOLWFSK-UHFFFAOYSA-N 409.494 0.637 30 20 HCED COCn1nc(C)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 433357873 ZTGUXNGHNXWLFH-UHFFFAOYSA-N 407.500 0.528 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](O)Cc1ccccc1 438253561 DPKXBQZIEKEAPX-BEFAXECRSA-N 418.457 1.245 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@]3(CO)CCOc4ccccc43)CC2)o1 440474537 BJQHZFNZZJPULA-OAQYLSRUSA-N 411.462 0.763 30 20 HCED C[C@@H](O)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 444381440 IFDPJQZNCIWMHI-MRXNPFEDSA-N 420.535 0.484 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1Cl 446527967 SEGAQJPUZWYQTI-UHFFFAOYSA-N 421.885 0.713 30 20 HCED N#Cc1ccc(S(=O)(=O)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c(F)c1 447377018 XUIVRYFVNCYRHS-UHFFFAOYSA-N 423.447 0.708 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)c2n(C)c1=O 465138069 JWEMOTSOEGTZPL-QGZVFWFLSA-N 420.473 0.275 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 465201464 WUUIRXBUJAAQDH-ZCHQSPEWSA-N 406.446 0.192 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CS(N)(=O)=O)cc1 465274255 JYYPYHQCZRJBSQ-CYBMUJFWSA-N 400.464 0.488 30 20 HCED C[C@@H](C(=O)NC(C)(C)CN(C(=O)[C@H](C)n1cnc(C#N)n1)C1CC1)n1cnc(C#N)n1 466328181 IXCZVGPQPBHAEU-STQMWFEESA-N 424.469 0.321 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)C1=O 466338857 YIDOXLPPMOCGBT-VNHYZAJKSA-N 404.471 0.794 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 466413773 KYJNQJWEEWHTER-UHFFFAOYSA-N 413.438 0.451 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C2(C(=O)N(C)[C@H]3CCN(CC=C)C3=O)CCC2)C1=O 467665045 DJQJEFYGUVEAFN-IRXDYDNUSA-N 416.522 0.647 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)c1C#N 472852294 QOOQUNRNTWRDJB-UHFFFAOYSA-N 419.449 0.468 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(C#N)CCSCC2)c1 474516089 AWQSTCSVYLKKDC-UHFFFAOYSA-N 410.521 0.572 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2cnn(C)c2C#N)CC1 476056451 QZERXWGMUNXOJS-UHFFFAOYSA-N 402.480 0.158 30 20 HCED C[C@H](C(=O)NCC1CCN(CC#N)CC1)[C@H](C)C(=O)NCC1CCN(CC#N)CC1 479801054 GAGNWPRPJAMIBN-ROUUACIJSA-N 416.570 0.962 30 20 HCED CCOC(=O)c1ccn(-c2cccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)c2)n1 480796647 QGRFTTVCLOLMPD-UHFFFAOYSA-N 408.418 0.930 30 20 HCED COC(=O)Cn1cc(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)nn1 481081229 UTOLQLWFVCFFMD-LLVKDONJSA-N 406.424 0.459 30 20 HCED C=CCNC(=O)NC(=O)CN1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 481181944 AHSKDUPCYHZXMO-UHFFFAOYSA-N 401.427 0.995 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCC#N)CCN1CCOCC1 481216488 WRYCKMNKZNZRSU-MRXNPFEDSA-N 419.507 0.300 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1=O 486862567 GKDHNOVFRKGFCL-GHMZBOCLSA-N 400.423 0.237 30 20 HCED CC(C)CN1C[C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCN2C1=O 488726653 VPWYVQXAYIYARY-OALUTQOASA-N 404.559 0.757 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 489201258 MFVVSRURNAWXCP-QZTJIDSGSA-N 418.519 0.837 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1)C(N)=O 508943080 VPZJLHYXALDSSR-UHFFFAOYSA-N 419.869 0.769 30 20 HCED CC#CCN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 520876515 HRSKWPSHXRUOAZ-OAHLLOKOSA-N 420.940 0.903 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)C1=O 521492001 BFHANBQYPBNGFG-AWEZNQCLSA-N 417.397 0.525 30 20 HCED C=CCNC(=O)CNC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 538515109 HIBAZLAVLQHVRR-OAHLLOKOSA-N 410.496 0.245 30 20 HCED C=CCn1c(Cc2noc(-c3ccc(-n4cnnn4)cc3)n2)nnc1N1CCOCC1 544312325 AKCPSIRWTMESOA-UHFFFAOYSA-N 420.437 0.917 30 20 HCED COCCN(Cc1nnn(CC(F)(F)F)n1)S(=O)(=O)c1ccc(C#N)cc1 550428204 BXHSLMQBUKJKDZ-UHFFFAOYSA-N 404.374 0.944 30 20 HCED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 555254204 CEOPVDLVZRVPDI-UHFFFAOYSA-N 411.510 0.897 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 560052649 OCIWHRGNMWHSNA-UHFFFAOYSA-N 415.457 1.485 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1 561788931 ZUHUGPKZMRESBM-WMLDXEAASA-N 415.469 0.862 30 20 HCED COCCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 563832181 ACGCCNRUTDOLQL-ROUUACIJSA-N 414.462 0.039 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)Nc3ccccc3)CC2)nc1 583587758 AYVSUIQTJWLZIK-UHFFFAOYSA-N 413.503 0.983 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCOCC3)cn2)cc1 603156471 UYOWBNGGEHHBSO-UHFFFAOYSA-N 401.448 0.707 30 20 HCED COc1ccc(C#N)cc1NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 609844419 HHSOPKIZMQJJBH-OAHLLOKOSA-N 401.467 0.964 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccnn3-c3ccncc3)CC2)c1C#N 616005217 AHURKPCDKJRMHJ-UHFFFAOYSA-N 419.449 0.468 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1=O 726043819 RZAFKAOUHRPYSB-SNVBAGLBSA-N 403.347 0.262 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CCC)cc3)C2)CC1 728533212 CZSNAWBDSHPPST-IBGZPJMESA-N 410.518 0.886 30 20 HCED Cn1c(S)nnc1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 731439893 NGDYMLWCUUESEI-UHFFFAOYSA-N 408.509 0.281 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCOCC2)c(F)c1 732450259 PYBRCTUVUHYUBA-VHEBQXMUSA-N 417.441 0.988 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)c2cn(CC(=O)N(C)C)nn2)ccc1OC 733230464 OPRXORXPJQUXDQ-CQSZACIVSA-N 400.439 0.986 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 739153252 ABDORHLQJKHFAJ-CQSZACIVSA-N 421.413 0.910 30 20 HCED C[C@H](CC(=O)NCCN1CCOC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 742610383 KTQPXSRFUCVMEG-CQSZACIVSA-N 408.524 0.731 30 20 HCED COc1ccc(CCC(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746382175 PXJGBUXRTSMKLN-UHFFFAOYSA-N 424.461 0.657 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CC1 748814276 YDPNCRBALMJVAE-UHFFFAOYSA-N 402.926 0.804 30 20 HCED COC[C@](C)(CC(=O)OC)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 749426616 GXQAFBRIZDTGBM-SFHVURJKSA-N 411.480 0.590 30 20 HCED Cn1c(C=NNc2nc(Br)cn3ccnc23)nc2c1c(O)nc(=O)n2C 749862308 GJVFRCWZVCWKGH-UHFFFAOYSA-N 418.215 0.624 30 20 HCED CN1CCN(c2ncc(C=NNC(=S)NCc3ccc4c(c3)OCO4)cn2)CC1 755525573 VQINTFUBNHFFHI-UHFFFAOYSA-N 413.507 0.955 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758775615 KCHWTBIKPCYVNO-MGPQQGTHSA-N 415.516 0.469 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 760740404 SGAQICRSFVMBGV-GOSISDBHSA-N 424.479 0.011 30 20 HCED CCOC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(O)c1 768916532 DLJZZMIQPDEYNZ-QGZVFWFLSA-N 417.443 0.851 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCCSC)c2=O)cn1 772301801 YYMVYVOAFQXFLY-UHFFFAOYSA-N 417.560 0.989 30 20 HCED C[C@@H](CC(=O)N1CCC2(CCN(C)C2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 772936169 ALXFOGUCAAVIRR-AWEZNQCLSA-N 418.519 0.975 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)c1 777770442 NTJVYVXFSTVGGD-INIZCTEOSA-N 423.491 0.032 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)c1 783459302 OKSLMYYGLMCCEW-SFHVURJKSA-N 421.409 0.690 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 783482110 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CC[C@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 803783621 AZIFUXKSOUYHRT-LJQANCHMSA-N 418.475 0.874 30 20 HCED C[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 807492865 KIBHQHMHAPXSKN-NHCYSSNCSA-N 400.361 0.649 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)OCCOC2(C#N)CCOCC2)C(=O)C1 809079774 BCEVGYCBBLQAPG-UHFFFAOYSA-N 411.455 0.698 30 20 HCED C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1 812935715 GZPJTNMJCHXVOE-KRWDZBQOSA-N 402.426 0.213 30 20 HCED Cn1cnn(CCC(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1=O 815269895 XMBFOGHURUVYBC-UHFFFAOYSA-N 410.352 0.702 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815596685 AUNPXYWWSAWQRE-UHFFFAOYSA-N 418.454 0.297 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 849072651 SSFZXKGRFILSMZ-UHFFFAOYSA-N 423.583 0.858 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 916809012 LFLBAEMWUPXGPC-UHFFFAOYSA-N 423.472 0.936 30 20 HCED 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O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3n(n1)CCCC3)CC2 1825668171 YQNIMAFSMXZIJK-LLVKDONJSA-N 413.459 0.990 30 20 HCED CCC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1828133044 RMWCQNYMZFYTPA-YPMHNXCESA-N 406.464 0.448 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])o3)CCO2)C1 1829481093 HWSTUXJCKPQHIS-AUUYWEPGSA-N 423.422 0.849 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n(C)n1 1831215953 CWFRKGLKVBFSGS-NRFANRHFSA-N 400.479 0.466 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C[C@H]4CCCCO4)CCO3)C2)c1 1832347242 KJCPTTGISOCIDL-UTKZUKDTSA-N 416.478 0.916 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)C1 1832793750 SIZQMTOHKOPHNU-LJQANCHMSA-N 419.438 0.214 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833276663 YHKZIGUWQJYSES-OXJNMPFZSA-N 420.466 0.191 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833502883 OHYRLDIYNNWDGX-QRWLVFNGSA-N 420.466 0.146 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833582654 FLVNVNQYLLVGKD-DIFFPNOSSA-N 415.899 0.829 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccn2)CCO3)c1 1833976948 PYOABZVYOXLTDM-NRFANRHFSA-N 407.430 0.732 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncccc5[nH]4)C3)C2)CC1 1835346793 SXMNMQBEMMDBHC-OAQYLSRUSA-N 409.446 0.937 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)s1 1836084294 HRXNEGHAVPUVME-ZBEGNZNMSA-N 400.526 0.164 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5ncccn5n4)CCO3)C2)C1 1836866278 DHVRCYUQCCEPBM-OAQYLSRUSA-N 411.462 0.766 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837302936 HSXBEKVOOSPTAQ-UWJYYQICSA-N 421.494 0.663 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1837399583 WRPKRABAJLRPOX-KKSFZXQISA-N 418.494 0.428 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839228970 VLYAAGTUNHFBSZ-JXFKEZNVSA-N 421.498 0.600 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234912 KDSJOGSCUSMEPB-HXUWFJFHSA-N 405.499 0.727 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630714 PIJRMOAMFWDGKF-XIKOKIGWSA-N 405.480 0.346 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncsc3Br)C2)C1 1839808334 OAZIJNXEGCRMFC-HNNXBMFYSA-N 414.281 0.609 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839843278 WIPOUPVMRCMOPS-ACJLOTCBSA-N 407.427 0.600 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1)C(F)(F)F 1839892110 UIPHONVIKVODQR-INIZCTEOSA-N 400.357 0.665 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1)C(F)(F)F 1839892133 VRTHELXFFIQCAG-MRXNPFEDSA-N 400.357 0.665 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840160119 XIFVXPUUTFDJJQ-QOKNQOGYSA-N 408.524 0.246 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840167815 OMXJAZPYQYASGA-OAQYLSRUSA-N 411.462 0.831 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840167829 PEDUYKLLKFGLLG-OAQYLSRUSA-N 411.462 0.603 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840481121 DNKWIUZSIRPRCR-HXUWFJFHSA-N 402.451 0.214 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(CC#N)cc1)C2 1841582894 FWFFLVYCHZPMBE-OAHLLOKOSA-N 418.519 0.897 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842000040 UFAKKRQTVXSADQ-UHFFFAOYSA-N 415.450 0.693 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305542 UYVRQIHRTVSPKV-CQSZACIVSA-N 417.535 0.543 30 20 HCED N#CCC(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153449 BFWMJNLRZFRESF-UHFFFAOYSA-N 409.450 0.297 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)c1Cl 1844296769 ZRYKJMZSYUIHBD-GOSISDBHSA-N 418.881 0.679 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1845253321 CUHTZBLGDSBQBM-AWEZNQCLSA-N 416.482 0.635 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1ccccc1 1847265395 WWLUAZSTOBCLLG-BUOXPGGASA-N 424.501 0.865 30 20 HCED O=C1C=CC(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1 1847951538 VYHRVBTUSFSPOF-IRXDYDNUSA-N 413.474 0.202 30 20 HCED C[C@H]1CN(CCOC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C[C@@H](C)O1 409484487 KJMZWVYEZIJVDC-SOLBZPMBSA-N 416.544 0.046 30 20 HCED CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 409552319 KHRLNKDINRSZBE-INIZCTEOSA-N 416.525 0.073 30 20 HCED COc1cc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)ccc1C 409560753 CSJDHBZVWPSOPO-INIZCTEOSA-N 408.480 0.231 30 20 HCED COCCCNC(=O)Cc1noc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 445375640 YVOBTPDEVMYYJS-UHFFFAOYSA-N 407.452 0.457 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)[C@@H]3CCCO3)CC2)cc1 468632501 PSBXPJIEXQZWNV-ROUUACIJSA-N 407.492 0.615 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N[C@@]3(C#N)CCc4ccccc4C3)cnc21 471913871 ZNZZBGTVANEYKG-IBGZPJMESA-N 411.443 0.764 30 20 HCED Cn1ncc(C(=O)NC[C@@H](NC(=O)c2cnn(C)c2C#N)c2ccccc2)c1C#N 475603607 NKYMLADOCRWITH-MRXNPFEDSA-N 402.418 0.798 30 20 HCED C=CCc1cc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc(OC)c1OC 476552953 VAROWOZBONKZSG-IAGOWNOFSA-N 424.519 0.348 30 20 HCED Cc1ccc(C(=O)Nc2ccc(-n3nnnc3O)cc2)cc1S(=O)(=O)NCC#N 476968602 NRARSLFNHVLCMP-UHFFFAOYSA-N 413.419 0.731 30 20 HCED CN(CC(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1)S(=O)(=O)c1ccc(C#N)cc1 478399866 OQQBWWWMURUSIS-IBGZPJMESA-N 407.492 0.975 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)c3cn(CC(=O)N(C)C)nn3)CC2)cc1 479336636 AHPHGVJDZKCZKA-SFHVURJKSA-N 411.466 0.398 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 481254220 JTAPDVNBTDEMAN-BLLLJJGKSA-N 422.532 0.747 30 20 HCED COC(=O)C1(CS(=O)(=O)N(CCC#N)CCN2CCOCC2)CCCCC1 489211576 WPDVRNWFVYGGPR-UHFFFAOYSA-N 401.529 0.988 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 497461591 IQZAUXZAAPQYOZ-WMZOPIPTSA-N 419.551 0.889 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 505597654 SNHMBXAECACODJ-UHFFFAOYSA-N 414.491 0.521 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCSC 505685099 WBWUHJQNJFONRY-UHFFFAOYSA-N 417.560 0.510 30 20 HCED COc1ccc(S(=O)(=O)N[C@@](C)(C#N)CSC)cc1[C@]1(C)NC(=O)NC1=O 508000996 UNVJARPUVQPHRN-HOTGVXAUSA-N 412.493 0.673 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)nc1 508472900 REVHRKJYQHQMDC-NENKPNQISA-N 424.457 0.922 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 509014842 JJIZSIZAOUWZLV-UHFFFAOYSA-N 405.212 0.329 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1Cl 509872993 DVFDGEYXSBPDSX-UHFFFAOYSA-N 412.837 0.993 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C2CC2)CC1 514327804 RJJLKRGXGZRKNL-UHFFFAOYSA-N 409.515 0.307 30 20 HCED C=CCNC(=O)c1cccc(-c2noc(CN3CCN(S(C)(=O)=O)CC3)n2)c1 516268605 KZPXBWSIYBWUSW-UHFFFAOYSA-N 405.480 0.730 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cc(C)ccc1F 520989717 FPPBEOYLNMSUHG-UHFFFAOYSA-N 423.473 0.885 30 20 HCED C[C@H](C#N)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 521068543 FXFVFAAEMVWNRM-CQSZACIVSA-N 419.507 0.803 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC(CC#N)CC2)cc1 543826400 NNESISPMZRQJBG-UHFFFAOYSA-N 400.435 0.609 30 20 HCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545493272 PHOXAOWOSWWQJE-UHFFFAOYSA-N 406.446 0.909 30 20 HCED C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 553242325 SKLKMQKHUPXHHP-VUKXFCSWSA-N 410.430 0.484 30 20 HCED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 555243647 CAVQQVFKAIZUAJ-QZTJIDSGSA-N 418.542 0.727 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC2(NS(=O)(=O)c3ccc(C#N)o3)CCC2)o1 557842476 DSMIFXTZWNEBAR-UHFFFAOYSA-N 410.433 0.795 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCCC2=O)C1=O 559740027 JQYBTCVHRZBEAD-SFHVURJKSA-N 412.490 0.671 30 20 HCED CN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1 561483681 LMIUJGHJVCSEPV-UHFFFAOYSA-N 415.313 0.763 30 20 HCED CN(CCOCc1ccc(C#N)cc1)CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 565620931 MCCOHXIJRYJRFF-INIZCTEOSA-N 408.480 0.020 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 567452315 JCFZOALZRSXKLZ-UHFFFAOYSA-N 403.531 0.737 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cc2)ccn1 580017085 NWOLVDKYYQNIIU-UHFFFAOYSA-N 408.418 0.232 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1OC 581719170 XLVYXNSVUJVQFR-CQSZACIVSA-N 410.496 0.334 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583090211 GUQGQZLVWORKEQ-HNNXBMFYSA-N 406.508 0.548 30 20 HCED CCC(=O)N1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587648263 VFWNOZAPXKPFKP-UHFFFAOYSA-N 412.494 0.509 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1 588291122 AMUDRDGGRVMDDK-OCCSQVGLSA-N 414.509 0.918 30 20 HCED N#Cc1cnn(-c2ccccc2NC(=O)c2cc(N3CCNC(=O)C3)ccn2)c1N 588837097 XVIWUQNVTBCUBA-UHFFFAOYSA-N 402.418 0.910 30 20 HCED COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 589284258 CDTSWIPIDPKVKQ-UHFFFAOYSA-N 415.475 0.907 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)cc2)c1=O 603826214 NOJFVDRDXLHOPV-UHFFFAOYSA-N 401.488 0.594 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609086798 CBZFKIRKYDUZQQ-UHFFFAOYSA-N 409.393 0.378 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 609516824 RJJLRUDTLJPHTB-MOPGFXCFSA-N 405.543 0.392 30 20 HCED N#Cc1ccc(NCC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 609522191 YYTBDBXFTPLYBK-IBGZPJMESA-N 420.535 0.708 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 610358196 ATUHYVVYVRUXJC-UHFFFAOYSA-N 414.487 0.686 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1nn[nH]n1 610859174 IKGWIFGZGGEQGP-BLLLJJGKSA-N 411.447 0.644 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CCC 613080264 RNCDGHPGXVRHIC-UHFFFAOYSA-N 415.471 0.813 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670206885 JLLJDQWDXIJMCW-CQSZACIVSA-N 401.471 0.563 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1=O 670325629 ZHFLWEIVUTUCMY-CQSZACIVSA-N 402.426 0.902 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2)C1=O 726042041 CLVROVXBUHHGOP-NSHDSACASA-N 402.363 0.243 30 20 HCED CS(=O)(=O)NCCNC(=S)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 727084429 KZOCBNBSACOCJB-UHFFFAOYSA-N 409.537 0.632 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1 727164078 KYKCWDFXEQNAGX-UHFFFAOYSA-N 402.501 0.048 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nc(CC)n(-c3ccccc3Cl)n2)CC1 728530494 HXAAWRQJDMAAEF-UHFFFAOYSA-N 414.897 0.990 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCn2ncc(C#N)c2N)C1 729806524 IQNNKQNIGRVTCD-ZDUSSCGKSA-N 422.467 0.586 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2ccc(C#N)cn2)c(O)nc1=O 730891956 AJGATLLHDQIZQO-UHFFFAOYSA-N 414.422 0.808 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(CC)c2)c1=O 732562893 NNDLMYMZWNCGGM-UHFFFAOYSA-N 417.535 0.582 30 20 HCED Cc1cc(N(CCC#N)C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)ccc1Cl 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0.076 30 20 HCED N#Cc1cc(COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccn1 749328527 DQHKBJGKHUNFLR-UHFFFAOYSA-N 400.416 0.431 30 20 HCED COC(=O)c1cc2c(cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1)OCO2 753808421 ADBLLZBPGLYQFU-UHFFFAOYSA-N 411.374 0.635 30 20 HCED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 755752671 AQPNPCQOTZHCFW-XOBRGWDASA-N 423.481 0.407 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 757896485 GNZCCQGNBDPDAT-KGLIPLIRSA-N 416.500 0.704 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccs2)c1=O 758074440 ANJMQTHPONTQHI-UHFFFAOYSA-N 401.538 0.683 30 20 HCED C#C[C@@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 771614352 HFGCKPYXTYHODC-RISCZKNCSA-N 407.897 0.987 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(C=C)c2)c1=O 772280393 YVNRJPFQBOVHKR-UHFFFAOYSA-N 413.503 0.439 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1)c1cc[nH]n1 772489766 XMBITYMGTSQGCB-WBVHZDCISA-N 420.514 0.178 30 20 HCED 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C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461362087 PJYCDPUNDAIHMS-UHFFFAOYSA-N 406.467 0.758 30 20 HCED CCc1nnc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)c1CC 467731589 LZWDZNXPDXMHRK-HUUCEWRRSA-N 422.555 0.949 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)CC2)c1C#N 472871347 FTHKHSZCEJFMDB-UHFFFAOYSA-N 416.511 0.458 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCSC2)cc1 476804193 GQNUXDCDALBBDK-KRWDZBQOSA-N 413.521 0.416 30 20 HCED C[C@H](O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 476870772 PCESEAODKIYESV-RVKKMQEKSA-N 413.478 0.677 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 479888084 OXUIPOFZNNTOPK-RDJZCZTQSA-N 408.524 0.698 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 488637494 MCSFJNWGFKFJHJ-INIZCTEOSA-N 408.480 0.396 30 20 HCED Cc1onc(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1C#N 499622771 SHRDOBTZLYWIOU-UHFFFAOYSA-N 418.475 0.876 30 20 HCED 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CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC2CCN(CC#N)CC2)cc1 531791138 YRXCQPRCAXGVQO-UHFFFAOYSA-N 422.507 0.493 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 532097709 ICDUQOILKFCRSB-UHFFFAOYSA-N 412.498 0.091 30 20 HCED N#Cc1ccc(C(=O)NCCC(=O)N2CCN(C(=O)c3ccc(C#N)cn3)CC2)nc1 535759770 KLPINDFWHBIJEI-UHFFFAOYSA-N 417.429 0.324 30 20 HCED CN1CCC(C#N)(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 537328375 BVSKSSPNNINHOC-UHFFFAOYSA-N 401.286 0.814 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)Cc1ccc(O)cc1 541359532 ZNNGBWPBEDORNC-HNNXBMFYSA-N 413.434 0.897 30 20 HCED N#Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)ccc1C(F)(F)F 548764168 RGWSPBPICQNSGH-PRHODGIISA-N 405.354 0.916 30 20 HCED C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 549291599 HLJBHBCVUYKJTH-UHFFFAOYSA-N 404.496 0.708 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 552902248 HLCNIHQPMWJKLL-ZWKOTPCHSA-N 413.478 0.114 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC 555630119 RKNQBFOYOGHPJM-UHFFFAOYSA-N 409.446 0.935 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCC[C@H]2C1 558262072 WUPSTUBULZJSIZ-IVJVFBROSA-N 418.519 0.988 30 20 HCED Cc1nnc(N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)c(C(N)=O)c1C 559795437 LTSXRMNKZPBLFF-UHFFFAOYSA-N 413.463 0.413 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)N3CCCCC3)CC2)nc1 561778832 YIHYGBXPAAEIKJ-UHFFFAOYSA-N 405.524 0.357 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)CC1 562869054 GAQSZXWGAYGXPZ-UHFFFAOYSA-N 405.587 0.770 30 20 HCED CCO[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C12CCCC2 575469498 HIMXLRREWXURGJ-CVEARBPZSA-N 402.499 1.109 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c(OC)c(OC)c1 580680389 FRQPRBGCXFUYKZ-UHFFFAOYSA-N 415.406 1.486 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582518575 VPVUCOUWOQIOCN-HNNXBMFYSA-N 402.480 0.355 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc(O)nc3)CC2)nc1 582928391 KLIDJGHKKUCIGA-UHFFFAOYSA-N 401.448 0.286 30 20 HCED CCCN1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1=O 587658481 APARYDDQDNNJRY-UHFFFAOYSA-N 412.494 0.509 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 588124791 KKOGRAATJXJGCO-FQEVSTJZSA-N 413.522 0.150 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 589407916 NHYPZNNPXBOABM-OAHLLOKOSA-N 421.461 0.985 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C)c2)c1=O 589776203 KRFZYSCIRCCGQN-UHFFFAOYSA-N 401.488 0.512 30 20 HCED CC(C)N(CCCNC(=O)CN1CCN(c2cnccc2C#N)CC1)S(C)(=O)=O 590013240 FNSLSHPLEDLLLA-UHFFFAOYSA-N 422.555 0.252 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 608828630 DYXRZORNTQPPFG-UHFFFAOYSA-N 422.466 0.619 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)nc1 608951562 OIAUHIRZJMZYJB-IQGAEYHTSA-N 405.458 0.845 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 609100978 ZQZKNDULKOGOKH-RTBURBONSA-N 402.520 0.858 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 611409220 RAASQOAKRYRDQQ-GOSISDBHSA-N 421.567 0.083 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1 676280005 SKABMZHWYJPFEK-YOEHRIQHSA-N 424.523 0.267 30 20 HCED C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCCCC1 727010338 VGKNZBGBILAJEH-CQSZACIVSA-N 400.435 0.348 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1 728536271 RAJUWJOHNLROGP-MRXNPFEDSA-N 400.454 0.381 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731623751 YAQOGDLBRZPCIH-INIZCTEOSA-N 403.508 0.808 30 20 HCED CCc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910636 RLMBHHQRNSXQSG-DOTOQJQBSA-N 417.487 0.568 30 20 HCED C[C@@H](CC(=O)Oc1ccc(OCC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 744175121 KTUQWCDWFBGVJA-LBPRGKRZSA-N 417.443 0.973 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 745354305 SWVAEXXSWAVEMZ-IAQYHMDHSA-N 419.463 0.345 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C(C)(C)C#N)C2)CC1 746014230 YFCSORZOHZIIRR-UHFFFAOYSA-N 400.501 0.629 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 747857624 XKSLSSWGQPLTSH-CQSZACIVSA-N 406.508 0.827 30 20 HCED COC(=O)[C@@H](OC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1cccc(C#N)c1 751664401 OIGQTFLUJNDVSO-INIZCTEOSA-N 422.397 0.883 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2C[C@@H]2C2CC2)CC1 751739697 IRXUTPBMHZELKT-IAGOWNOFSA-N 417.487 0.980 30 20 HCED N#CCc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 758695816 LJXIHZHUTQVBMB-QGZVFWFLSA-N 405.476 0.241 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cc(Cl)ccc2OC)CC1 761031438 RVEBPPXKIWRXFC-UHFFFAOYSA-N 414.915 0.050 30 20 HCED Cc1nc([C@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 761064674 MTAKPZPTVZQUFW-ZDUSSCGKSA-N 402.480 0.948 30 20 HCED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C1CC1 763957934 NKVYDPZNWUVSDR-UHFFFAOYSA-N 403.504 0.820 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccon1 765144790 BHCSVRRPWUZSID-UHFFFAOYSA-N 412.475 0.099 30 20 HCED N#C[C@]1(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCc2ccccc2C1 770113526 XNUKBSOGLSDORC-JXFKEZNVSA-N 414.487 0.719 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1S(=O)(=O)N(C)C 771075808 JIJFFUNVFUFUPY-UHFFFAOYSA-N 415.493 0.699 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(CS(C)(=O)=O)c1)c1cc[nH]n1 772156628 RYWOCKPZWDIMAE-UHFFFAOYSA-N 408.436 0.877 30 20 HCED CCN(C(=O)CON=C(N)c1ccc(NC(C)(C)C)cn1)[C@H]1CCS(=O)(=O)C1 774781831 YSSBZNXAUZLUOK-AWEZNQCLSA-N 411.528 0.965 30 20 HCED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 776136824 CRBFZNLGVXQZHB-PVEMMZBWSA-N 423.470 0.448 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 781524214 SNIPZBKKUJAJNG-SFHVURJKSA-N 409.552 0.959 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 782908504 YFOXOEIKRTWQLG-UHFFFAOYSA-N 402.426 0.851 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)[C@H]1CCS(=O)(=O)C1 783475937 SECMIKQURYPSGA-QAPCUYQASA-N 419.503 0.499 30 20 HCED C#CCn1ccc(CN(CC)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)n1 788330852 JDJFUKKUQZQTEN-KRWDZBQOSA-N 415.475 0.318 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccc(N2CCOCC2)cc1)c1cc[nH]n1 789969633 WWMAEDIAZSBHQJ-UHFFFAOYSA-N 415.450 0.847 30 20 HCED C#CCC[C@H](O)CNC(=O)c1cc(I)ccc1-n1cnnn1 799076374 UKRBAKNSTXXCJG-NSHDSACASA-N 411.203 0.771 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 799287911 VEKYLDWJAGIARP-INIZCTEOSA-N 421.519 0.999 30 20 HCED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 803516923 ONZMIIYXIQYIGR-OWCLPIDISA-N 420.535 0.825 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c3COC4=O)CC2)c1C#N 808942182 NUGPPHONQQKXDC-UHFFFAOYSA-N 408.418 0.558 30 20 HCED COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810363723 BFBOSZSTNHXCNB-KRWDZBQOSA-N 406.402 0.936 30 20 HCED COCC[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 811823065 LDTHNGITNZVYGI-UONOGXRCSA-N 411.480 0.746 30 20 HCED C[C@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)N(CCC#N)c1ccccc1 815265732 LPECMZGBOUDEMK-LSDHHAIUSA-N 408.480 0.780 30 20 HCED CC[C@](C)(CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 821572621 KRODQIMIWXNCKY-ISPGYRLHSA-N 410.496 0.715 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 916200107 UJTWZVUMPMMKIN-UHFFFAOYSA-N 417.462 0.057 30 20 HCED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(=O)c1 1189753652 YMIMDZIUICFFKV-UHFFFAOYSA-N 404.423 0.392 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1301045623 VIHULVITXGJDSI-KBPBESRZSA-N 419.935 0.979 30 20 HCED COCCn1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1322646074 YQEMOVDGJPOVJO-KRWDZBQOSA-N 410.434 0.923 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1=O 1561841182 VWPRRLUBVNRCAA-CYBMUJFWSA-N 416.450 0.294 30 20 HCED 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C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@H](C)NC=O)C2)N(C(=O)OC(C)(C)C)C1 1845181741 WGAJPCILPVTJKM-HOTGVXAUSA-N 420.510 0.890 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCNC(=O)OC(C)(C)C)C1 1846959427 XCDUSGOYYMSZOU-FPLPWBNLSA-N 420.510 0.963 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848300916 YTPKLMNPMCRVEU-IRXDYDNUSA-N 419.441 0.947 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)OCC(=O)Nc2ccc(CC#N)cc2)n(C)c1=O 16163055 RWHQJCZIZPZUOR-UHFFFAOYSA-N 424.417 0.072 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)c1 25964009 XDEHJJMROSHKGK-UHFFFAOYSA-N 412.402 0.579 30 20 HCED CN1CCN(C(=O)CCNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 46228552 BDYBCFXYKIQSOT-UHFFFAOYSA-N 412.538 0.940 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1 47293412 OAABYSKGXMSCHC-UHFFFAOYSA-N 417.494 0.626 30 20 HCED Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 53674160 OYXVZTVYCLGDFH-UHFFFAOYSA-N 406.493 0.610 30 20 HCED C=CCc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c(OC)c1 53718970 FJIUHGVQQQKPIL-UHFFFAOYSA-N 403.479 0.998 30 20 HCED N/C(=N/OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1CN1CCCCC1 110459704 WUMLFRQMQJBWQB-MRXNPFEDSA-N 408.524 0.613 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\CC3CCN(S(C)(=O)=O)CC3)NC[C@@H]2C1 305018149 MSYXPHVWDLLHAF-OAHLLOKOSA-N 415.560 0.539 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 409537763 SVLNRCMXFNCHNQ-MRXNPFEDSA-N 421.589 0.451 30 20 HCED Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1C 409543071 FOTMIALUGQPUFE-QGZVFWFLSA-N 421.523 0.329 30 20 HCED CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCOCC1 437964045 OMWGWUXRBZQOET-MRXNPFEDSA-N 408.480 0.246 30 20 HCED N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCC(=O)NCCO 439247682 OCOJOCFUMHMDTB-UHFFFAOYSA-N 418.397 0.874 30 20 HCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CC1 440402073 XNEODHQUYLUMLU-OAHLLOKOSA-N 410.455 0.508 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H](C)C1=O 440977627 AZHPPVFLIRIJCW-HNNXBMFYSA-N 423.477 0.852 30 20 HCED CN1CCN(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C 441006047 BHCDABVTONLGDK-IBGZPJMESA-N 412.538 0.984 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)cn1 460608646 LPWJKFKSVJRNPP-UHFFFAOYSA-N 424.442 0.668 30 20 HCED C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468276686 AEUWVYGHRJIQJE-CETDPJCDSA-N 422.485 0.946 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@H]2C)C1=O 468728126 JTZGOAIUCTULOM-YCRPNKLZSA-N 415.446 0.532 30 20 HCED COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472212739 MVAPQMLTUYNJBZ-GOEBONIOSA-N 409.512 0.784 30 20 HCED C=CCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)S(=O)(=O)c1ccc(OC)cc1 475886224 ZWXKYXCGZWTXAG-INIZCTEOSA-N 409.508 0.999 30 20 HCED C[C@@H](CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nn[nH]n1 478603917 UCLHSRRGKRKXEW-ZDUSSCGKSA-N 417.495 0.734 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)Cc1ccccc1 479049776 QGNJBRPNONDAON-UHFFFAOYSA-N 406.490 0.850 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CCCN(CC#N)C2)c1 479902676 OGKNCDYRHGXYMQ-MRXNPFEDSA-N 423.539 0.231 30 20 HCED CCCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480442916 JLFMNJJEQAHOPL-AWEZNQCLSA-N 406.508 0.990 30 20 HCED Cc1ccc(S(=O)(=O)N(C)[C@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 481016620 JUUMDXKLGPMCQC-CQSZACIVSA-N 401.510 0.939 30 20 HCED Cn1cc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 483186692 WBQONJWCSLZZBD-UHFFFAOYSA-N 423.520 0.051 30 20 HCED COC(=O)c1ccc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)o1 485070509 LVKZJIUDKAQCGH-UHFFFAOYSA-N 408.374 0.833 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 489083171 NONBPQAEPIUVTB-SNVBAGLBSA-N 404.370 0.416 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cn1 497718907 GFLALLMYRUJSCC-KRWDZBQOSA-N 422.493 0.121 30 20 HCED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500472596 XKFHWGNVZNGUEU-VIFPVBQESA-N 400.254 0.905 30 20 HCED COc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 502045293 QDZKSFWSAINRNM-UHFFFAOYSA-N 421.482 0.423 30 20 HCED CN(C)C(=O)[C@H]1CSCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505429874 VDYZTTDSLNUKCK-LSDHHAIUSA-N 415.475 0.753 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 508480459 HCKMYOYAXJHYFZ-UHFFFAOYSA-N 412.498 0.758 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508953050 SZROLKYMCBKLKK-UHFFFAOYSA-N 410.438 0.632 30 20 HCED CCN(CC)CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512403364 KNNXRPRHGWBXHP-IBGZPJMESA-N 406.575 0.165 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 518509593 GJDWYJVRJYNTJU-GFCCVEGCSA-N 422.488 0.772 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C1CCN(C)CC1 523082128 ODUSTJATLZYYIH-UHFFFAOYSA-N 414.506 0.873 30 20 HCED CCCCn1c(=O)n(CC(=O)NC2(C#N)CCC2)c(=O)c2c1nc(CO)n2CCC 525879130 FEVATEFCDMIDAX-UHFFFAOYSA-N 416.482 0.625 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 527030576 MSCHSWAQHJEHQL-UHFFFAOYSA-N 401.492 0.291 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[S@@]1=O 533288675 VOCLHUDNCMYTSN-ONSXPEOJSA-N 417.491 0.908 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(-c3nnnn3C3CC3)c2)C1=O 542347017 FJPMIGRSKFWADG-UHFFFAOYSA-N 409.406 0.899 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 544865800 JUCMOXSNRQFVIA-UHFFFAOYSA-N 419.445 0.431 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)nc1 550799646 LLQTUXOYUXMBNG-UHFFFAOYSA-N 410.478 0.119 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 558290048 CYDYMNDSYGCOPJ-DLBZAZTESA-N 412.494 0.365 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 559599741 JXTBZILTFVXSNM-UHFFFAOYSA-N 410.478 0.119 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCCCN2CCOCC2)CCN1Cc1ccccc1 559833684 DFKPDIUAGMDVML-FQEVSTJZSA-N 413.522 0.452 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)CN1CCOCC1 560884869 QIFCCEBOUAPSFR-UYAOXDASSA-N 413.522 0.307 30 20 HCED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 562223188 IPXSBSKGRTXREQ-CGTJXYLNSA-N 404.492 0.600 30 20 HCED CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)S1(=O)=O 567575496 LPBBBIREDNGQTA-GZBFAFLISA-N 413.521 0.649 30 20 HCED CN(C)CCN(C)CCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 572881181 DIIBZBGKDQORJL-UHFFFAOYSA-N 415.473 0.821 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 577752951 FXSUUFQUOQFKOU-GOSISDBHSA-N 400.479 0.909 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 588825551 ZHSRPNWRCQMZIX-QGZVFWFLSA-N 421.505 0.984 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 603796178 SESSJFYEWJGDKA-UHFFFAOYSA-N 403.529 0.989 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 604031755 GJHHEOPRAUYBGN-LLVKDONJSA-N 405.885 0.135 30 20 HCED CN(C)C(=O)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604368868 XVBHLPUMXLWVPR-UHFFFAOYSA-N 407.496 0.443 30 20 HCED C[C@@H]1COCCN1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609213310 BUDWLWRTEBKVHP-MRXNPFEDSA-N 421.523 0.295 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1=O 610636022 WLRXQKLQIHZEDC-JLTOFOAXSA-N 407.434 0.776 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 611547752 SCWWYASRRPQVNU-DLBZAZTESA-N 404.492 0.984 30 20 HCED COC1(CO)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 618558330 VHTXECSJDXXCNF-UHFFFAOYSA-N 401.398 0.821 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)NCc2ccc(C#N)c(Cl)c2)n(C)c1=O 619763668 OMUFTBNRMPVIPA-UHFFFAOYSA-N 400.826 0.665 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670197034 JNACCHCHASOMNI-CQSZACIVSA-N 424.465 0.974 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727814225 PCENSNBHWKYGJL-UHFFFAOYSA-N 422.514 0.309 30 20 HCED COCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 732520641 GTXLZMUYHBNAEK-UHFFFAOYSA-N 415.493 0.051 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C3CC3)c2=O)cn1 732563066 QKWBEAIWMWIIOD-UHFFFAOYSA-N 406.471 0.998 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cscn2)c1=O 732665089 WYHPYPLEGGDAIQ-UHFFFAOYSA-N 422.557 0.091 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 733045595 PLJLAXDLDODLTD-UHFFFAOYSA-N 420.482 0.422 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 747509703 GUFIOLZUWBCGLX-YVEFUNNKSA-N 423.491 0.276 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 747823151 MVHYFEIHNNAORO-UHFFFAOYSA-N 413.478 0.705 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)cc1C#N 752405937 UKVIBHUHBFZAAA-ZDUSSCGKSA-N 403.439 0.590 30 20 HCED CC[C@@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 756194165 FAXYBVHEAAPIKL-AEWZPABSSA-N 424.523 0.963 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 757057476 GSUZFWFDNLBKQR-HNNXBMFYSA-N 424.486 0.611 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 757293624 PNOXOSUJPYMLBM-AWEZNQCLSA-N 405.418 0.926 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 761033063 QFEVWNLSELAKOA-HNNXBMFYSA-N 412.943 0.945 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 761035674 BVWBGIYMZAZKOX-CYBMUJFWSA-N 420.451 0.791 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O 763676071 PNXVDENRAXJDPB-CQSZACIVSA-N 403.366 0.841 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)[nH]c(C(=O)OCC)c2C)CC1 769422981 ILDGEGYZDHTTHJ-UHFFFAOYSA-N 424.523 0.254 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)CC=C)cc1)[C@@H]1CCCO1 773798246 PBYILYULLRPCPN-IRXDYDNUSA-N 405.476 0.729 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 773945165 PYONDWJBHJIGJG-CQSZACIVSA-N 423.491 0.525 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1 774239020 GFZVXKLZOCWFNX-NSHDSACASA-N 413.456 0.143 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C#N)CCC3)CCO2)C1 1840814156 RFONXAGYNAURCU-KKSFZXQISA-N 405.495 0.710 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnccn4)C3)C2)CCC1 1840816069 NVWHCHOOGBQJIK-OAQYLSRUSA-N 413.478 0.559 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840841944 CZNJMXRXNSYRIN-OAQYLSRUSA-N 400.479 0.392 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1845188856 PCNFVJOACFKCTC-KRWDZBQOSA-N 406.527 0.335 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845581534 AHLSJWRCPOGFQL-AWEZNQCLSA-N 409.450 0.698 30 20 HCED C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 251860388 SJULAZOLRMSVEM-IPHXSNPTSA-N 400.527 0.609 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 409529451 OVEOGPZXVYCANW-ZDUSSCGKSA-N 420.944 0.983 30 20 HCED COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 435504477 ZWNRJXMXUZDVAA-UHFFFAOYSA-N 415.474 0.872 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1 437743300 IFYWLDFLXJRDRK-UKRRQHHQSA-N 402.451 0.895 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)n1 442088086 KSQCNKQOLPGTOP-DOMZBBRYSA-N 412.425 1.372 30 20 HCED Cc1cc(N2CC[C@@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2=O)n(C)n1 443307752 DCVBNYJMGGXNQP-GFCCVEGCSA-N 404.408 0.592 30 20 HCED C=CCNC(=O)Cc1noc([C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 445340103 HZJDSWSVPFLBMC-NSHDSACASA-N 407.452 0.912 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 446768905 OZHYQPUMNYWXCV-UHFFFAOYSA-N 417.447 0.385 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(OC)CCOC2)cc1 461791260 TYGAZFABDIPDPZ-GOSISDBHSA-N 411.480 0.353 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 463354236 MWQUZRPGFQRLGM-UHFFFAOYSA-N 405.448 0.905 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 467298695 WKUXRIGTRHPKEC-UHFFFAOYSA-N 420.477 0.421 30 20 HCED N#Cc1cccc(CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 467776776 NOQFWTOQIDMCCF-INIZCTEOSA-N 412.471 0.917 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 472186576 DMMGTQNBUBUNNH-UHFFFAOYSA-N 403.464 0.882 30 20 HCED COCC1=CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 481847574 VFRLVHYSYPSISL-UHFFFAOYSA-N 418.519 0.670 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N(C)C)cc1 484211479 SAHYFPYCDAJSFK-INIZCTEOSA-N 422.507 0.511 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 490369938 CYAQRGWFWNQTAG-HNNXBMFYSA-N 401.467 0.182 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 493899314 CVFROQHUWBJGMM-HNNXBMFYSA-N 408.480 0.848 30 20 HCED C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 505983852 DXTIQFGHWTVFOB-CZUORRHYSA-N 409.533 0.847 30 20 HCED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1nnnn1C 506876764 SQZYOTUJQDFHNA-ZDUSSCGKSA-N 403.424 0.474 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)cc1 506946016 ALJDOKXAYLMJIZ-UHFFFAOYSA-N 422.507 0.329 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 507040486 SHQMEFMCGKFJSR-UHFFFAOYSA-N 423.520 0.604 30 20 HCED CS(=O)(=O)N1CCC(N(CC(F)F)S(=O)(=O)c2cccnc2C#N)CC1 510600640 OHHLVSUSJNNSOD-UHFFFAOYSA-N 408.452 0.633 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 515944157 BTNROJBMZVHFNO-UHFFFAOYSA-N 410.434 0.661 30 20 HCED C=CCc1ccc(OCC(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(OC)c1 520500928 MAKRNWINSLXYAI-AWEZNQCLSA-N 410.492 0.564 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 523704724 IISPZOFUTQDBCD-GFCCVEGCSA-N 422.463 0.091 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2-c2ccccc2)cc1 548837129 QFTAVZJCPZDCIB-UHFFFAOYSA-N 405.418 0.833 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCc4ncnn4C3)C2)c(F)c1 553538763 RFPDIPJYDBXLJQ-HUUCEWRRSA-N 411.441 0.505 30 20 HCED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 555854115 SQXIIGJZTIOFQN-UHFFFAOYSA-N 422.283 0.540 30 20 HCED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)O1 558740045 SUFAHXQOFYXQHX-GFEQUFNTSA-N 406.527 0.862 30 20 HCED CC(C)NS(=O)(=O)N1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 559761384 CUXBHGFMERGQKE-SFHVURJKSA-N 405.524 0.914 30 20 HCED N#CCNC(=O)CNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 561580722 ZASBSIBZMZTDII-UHFFFAOYSA-N 413.525 0.404 30 20 HCED CN(C)CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 564506056 RHGFKZAYTUWLBI-UHFFFAOYSA-N 415.475 0.975 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 571034052 KMLOVLNZHVEOMW-RHSMWYFYSA-N 406.508 0.990 30 20 HCED Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 571625116 IKDHMJJKPMXQMF-UHFFFAOYSA-N 424.465 0.731 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](OCC)C2(CC)CC)CC1 584745166 IELPJVASGQOKAA-IRXDYDNUSA-N 408.543 0.533 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 611564626 LXAHKOHPRVYVEV-SFHVURJKSA-N 413.478 0.990 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)CN4)CC2)o1 727523912 LKKXFFAFVWIMOT-UHFFFAOYSA-N 424.417 0.724 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1 731841649 JQMMEQANIJMSGH-XSFVSMFZSA-N 407.452 0.380 30 20 HCED CNC(=O)CNC(=S)NN=C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 731927294 FKRRQVLUNAAEMS-UHFFFAOYSA-N 413.525 0.046 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(CC(F)(F)F)C1=O 732560695 SAVGENIAYYEFQL-LLVKDONJSA-N 418.397 0.395 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccn2)c1=O 732663266 LXUQRQGKEFPTBE-UHFFFAOYSA-N 416.528 0.030 30 20 HCED C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741097438 DNWNPKVWDSRIAD-QMYXSJSUSA-N 424.523 0.961 30 20 HCED C[C@H](CC(=O)NCCCN1CCCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742671695 IYTLQBLRJHDIDT-MRXNPFEDSA-N 421.567 0.648 30 20 HCED CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)NCc2ccc(C#N)cc2)o1 747848983 CWNMEJOKWUAHRX-SANMLTNESA-N 409.489 0.967 30 20 HCED N#CCCn1cc(C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c2ccccc21 748429251 QINCMXVCFLNZIA-UHFFFAOYSA-N 415.431 0.825 30 20 HCED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748738975 XHXBCDKLYSXAKL-CQSZACIVSA-N 424.548 0.884 30 20 HCED C[C@H](ON=CC(=O)Nc1ccc(F)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749789034 KCMKJYYISKXEKX-JQWIXIFHSA-N 403.407 0.940 30 20 HCED NC(=O)[C@H](Cc1ccccc1)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 754738665 SZYFCDHCDUUCKG-HNNXBMFYSA-N 401.444 0.755 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2occc2Br)c1=O 758053697 KBPJTFCMILQTAL-UHFFFAOYSA-N 418.272 0.680 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)c1 758201605 MNWQDUSXIGGYSI-CQSZACIVSA-N 403.464 0.081 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 758644804 MVBNFQQWMVQDIS-KCQAQPDRSA-N 411.484 0.882 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758775614 KCHWTBIKPCYVNO-MCIONIFRSA-N 415.516 0.469 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 765423385 IGKYBCRFQAMBTO-KRWDZBQOSA-N 422.526 0.296 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 767958418 LYBVWPWGUJOFMU-KRWDZBQOSA-N 422.526 0.296 30 20 HCED N#C[C@@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)N1CCS(=O)(=O)CC1 770867347 ZQHYHKGWUKUUHB-NSHDSACASA-N 414.365 0.933 30 20 HCED C#C[C@H](C)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 771614353 HFGCKPYXTYHODC-SMDDNHRTSA-N 407.897 0.987 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCO1 773549839 UICNXMNWBNFCMC-ZWKOTPCHSA-N 402.476 0.755 30 20 HCED Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 782811507 SIONRSMHKYRJCN-HNNXBMFYSA-N 413.825 0.919 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1)C(C)C 783394559 LQMKULLFUNQKSM-UHFFFAOYSA-N 416.521 0.866 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)c1 783453915 WFRNROUDOJUOAM-UHFFFAOYSA-N 417.429 0.988 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)cc2)CC1 783653912 JAOQANLYPKYKLJ-UHFFFAOYSA-N 406.504 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HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1831405412 ACDKDDTYDMULAE-HXUWFJFHSA-N 422.482 0.360 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1831420445 VEOOETVEZRUTQS-OXFYSEKESA-N 408.451 0.361 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1831495955 PTRKPWGKTIPOIF-MPGHIAIKSA-N 411.528 0.250 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831738770 OAOSPNSGJKIQMK-LIRRHRJNSA-N 421.454 0.053 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832657337 AEUKFNDCFBZUAY-VQIMIIECSA-N 410.492 0.873 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833530615 LNANNUNFLZYSAJ-NXFFSXPPSA-N 419.463 0.320 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1833719081 GQXDDRYNJKWZJB-YVCMOLFXSA-N 421.454 0.009 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834603754 ZLAFAMYQFJDHKU-FQEVSTJZSA-N 420.510 0.478 30 20 HCED 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O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837443820 KJSILVBVISUZIH-BOURKTIISA-N 416.482 0.018 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837589200 RLXDKLRDHPHOOE-JXFKEZNVSA-N 421.498 0.518 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837691226 JQZVQRVNUFRBLY-PGRDOPGGSA-N 415.490 0.669 30 20 HCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1837795217 VWEPJQTYPVBJMN-UHFFFAOYSA-N 401.467 0.546 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838118023 WHPZAFCTZXYDAC-HXUWFJFHSA-N 410.434 0.251 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838161100 CIRNBDUQXPNMIG-XOBRGWDASA-N 423.416 0.468 30 20 HCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)N1C[C@@H]2C[C@H]2C1 1838370490 PAZBJCMOYRLIGV-IKGGRYGDSA-N 417.506 0.413 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n[nH]1 1838907629 FCMKVCZUJTUDHC-NRFANRHFSA-N 409.446 0.974 30 20 HCED COc1ccc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839360638 RGBRXRPAIXRYMQ-NRFANRHFSA-N 416.430 0.162 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1839807945 QBZPZRINTYPXDU-NRFANRHFSA-N 400.431 0.469 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839838565 JMCDLJCHFKSCMR-IIBYNOLFSA-N 403.479 0.668 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1840067121 VYVMRRRNWWLHHP-UZLBHIALSA-N 409.458 0.797 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1)CCO2 1840121075 FUKXYODVARYDTC-HMFYCAOWSA-N 412.442 0.335 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840167354 LEBGAJTXBTUQSV-NRFANRHFSA-N 402.495 0.613 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1840168298 GCIIGFOBUMMTCC-PSHVLCQKSA-N 403.523 0.587 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840168829 URFIEKZZTWEVAA-MQXQUQPRSA-N 421.494 0.775 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](C#CC)c1ccc(O)cc1)CCO2 1840220384 MENXAFGQJCJWBT-WMZHIEFXSA-N 410.470 0.979 30 20 HCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842814329 HOZAGRQEJUTVAQ-AWEZNQCLSA-N 422.482 0.950 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cnc(OCF)cn1)C2 1842919225 IVRNMGJNRWRPTM-UHFFFAOYSA-N 404.446 0.881 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O2)C1 1846149497 JPQLVTYGSAMRNU-OAGGEKHMSA-N 403.479 0.847 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1846196804 RIZPNMPWMCTATJ-UHFFFAOYSA-N 400.416 0.031 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2ccccc2)C1 1847061367 DKYFHWQVPMRFQK-MQNTZWLQSA-N 424.501 0.867 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ncn(-c2ccccc2)n1 1847262173 PCBQCZOAYSSRDA-VTFYZGIISA-N 420.473 0.941 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 5170623 AHPALRPRLBHUCA-HNNXBMFYSA-N 409.464 0.703 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 104735435 QTQRSRKIOTZUOY-QGZVFWFLSA-N 407.492 0.614 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 431309591 ZGLUWKQMGDRXGX-UHFFFAOYSA-N 401.510 0.539 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)c2ccc(O)cc2)cc1S(=O)(=O)NCC#N 436775274 DWPBLHIMMKESHK-UHFFFAOYSA-N 416.459 0.662 30 20 HCED N#Cc1ccc(-c2nnc(CN3CCN(C(=O)C(=O)N4CCOCC4)CC3)o2)cc1 441250440 ACMASXPOCNUSDF-UHFFFAOYSA-N 410.434 0.111 30 20 HCED COCCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 444511244 KIFGKXKBUKJMOZ-UHFFFAOYSA-N 400.414 0.828 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)cn3)CC2)cc1 446447029 PIALUPPOVDBAGK-UHFFFAOYSA-N 417.422 0.564 30 20 HCED COC(=O)c1ccc(OC[C@H](O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472162094 XUZLSICDICAFCZ-QGZVFWFLSA-N 413.478 0.949 30 20 HCED CCN(CCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)S(C)(=O)=O 473697148 YNDQEIVCFALMRU-KRWDZBQOSA-N 406.508 0.837 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 478356318 CZZMOANOFUNTMU-APWZRJJASA-N 407.492 0.975 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccncc2)CC1 479905699 SSYHJZGDWHBGMD-MRXNPFEDSA-N 413.503 0.964 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1 486010740 ZUFNQSOULLZSOW-INIZCTEOSA-N 409.446 0.640 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CCOC)CC2)cc1 489019575 ZBQQFBCIGQPRBB-UHFFFAOYSA-N 409.508 0.908 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1=O 499342093 SRUDPHYMFIMGCF-UHFFFAOYSA-N 409.240 0.576 30 20 HCED COCC(=O)N1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503202644 UMCSEMAQMIQKHB-SFHVURJKSA-N 413.478 0.990 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 508640139 SPMXFOAVFMSSNT-AWEZNQCLSA-N 400.357 0.885 30 20 HCED C=CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508725466 ZOTSERAPPVZEPF-ZDUSSCGKSA-N 400.414 0.329 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508932024 RKQXLNXXWTWOFP-MRXNPFEDSA-N 421.527 0.495 30 20 HCED C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508955176 DHLDWTPRMTXOMW-CZUORRHYSA-N 410.434 0.124 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 510269655 JYGOQDYBQJMNIN-CQSZACIVSA-N 401.510 0.305 30 20 HCED CN(CCCn1ccnc1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 515247531 LKGSVWDHWGORLY-SFHVURJKSA-N 408.462 0.521 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CC(F)(F)C(F)F)CC2)cc1 516607835 CHDAIAXKHRQDMQ-UHFFFAOYSA-N 422.404 0.881 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 519559684 PCRXKFSEOALXOK-BRWVUGGUSA-N 411.462 0.201 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)o1 527262207 HKBMZNZDPHRTKD-CWLKWCNXSA-N 423.473 0.994 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 531777257 QLEWTQPQTHWUMS-UHFFFAOYSA-N 406.443 0.058 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 535458763 GVGINUQVRYYFAH-UHFFFAOYSA-N 407.473 0.918 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1c(F)cc(C#N)cc1F 539374266 STTGESAAHRNCCI-ZDUSSCGKSA-N 403.407 0.819 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)Oc1ccc(F)cc1 550948606 IJESJXCPGQIFHN-HNNXBMFYSA-N 417.397 0.920 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)CC1 557732815 DGJWGLZUUUEDEE-UHFFFAOYSA-N 400.527 0.945 30 20 HCED CCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CC(=O)N(C)C1=O 558737520 CNNBGNBJJASJHZ-JKSUJKDBSA-N 417.535 0.926 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2cnccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 562361490 ANZPBPMBWBYRNH-NVXWUHKLSA-N 405.524 0.499 30 20 HCED COC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571195323 HGFZGVQXCQWNFO-KRWDZBQOSA-N 412.446 0.187 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 582256102 AVMAZCLQXPHKQX-CYBMUJFWSA-N 400.526 0.631 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(CC4CC4)CC3)C2=O)cc1 588870138 CVENFYIMXSDLDH-LJQANCHMSA-N 409.490 0.330 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 589895683 VQHVWKANQNGRIK-FOIQADDNSA-N 411.466 0.505 30 20 HCED COC(=O)c1ccc(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 591745505 IQFHSDPTMLZMPJ-UHFFFAOYSA-N 401.444 0.982 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cn2)c1 615403535 VRPNQBIDYRATEC-QGZVFWFLSA-N 423.429 0.784 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)CC1 729256763 HJDKLKDEDIAEKB-QGZVFWFLSA-N 412.490 0.332 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(CC(F)(F)F)C1=O 732544072 OGAITQCFDZKQMC-JTQLQIEISA-N 404.370 0.005 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ccccc2F)C1=O 732748288 JIONFAIYEZMNRR-AWEZNQCLSA-N 416.434 0.786 30 20 HCED CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732898073 IGESBGWMMXYHNF-XAFZNTTCSA-N 424.523 0.961 30 20 HCED CCOCCN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742660116 WWBOJLXZNZZKJC-OAHLLOKOSA-N 408.524 0.684 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H]1CCOC1 743942067 XBJUAKWIZLGVQP-HHIFVKLFSA-N 422.507 0.979 30 20 HCED Cc1c(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 748429937 YDTWXYTYPQDHLC-IBGZPJMESA-N 401.423 0.152 30 20 HCED C[C@H](CC(=O)NCc1ccc(C(N)=O)nc1)/N=C1/NS(=O)(=O)c2ccccc21 753648114 MWGJSXBUKKZKMJ-LLVKDONJSA-N 401.448 0.314 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 761024264 AOFXDGRVBHOTME-OAHLLOKOSA-N 404.398 0.516 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cncs2)c1=O 767882087 BTGSFEOTVNLBKR-UHFFFAOYSA-N 418.544 0.965 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H]1CCCO1 773797457 NGNUMTZVKFHKIN-GOEBONIOSA-N 400.435 0.392 30 20 HCED CCN(CCS(C)(=O)=O)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 775991797 WGLQXOPGHSAJSE-GOSISDBHSA-N 410.515 0.901 30 20 HCED C=C(C)CN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 777467890 ODPNSBIHRVPFKB-SHUBJWRZSA-N 410.521 0.846 30 20 HCED C#CCSCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781993692 RFPTWJLYAAYRSH-ZFWWWQNUSA-N 402.925 0.947 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 792137845 YIRBBQLUGCWJAA-INIZCTEOSA-N 406.280 0.646 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCn2cnc(C#N)n2)C1=O 795183815 LOXBCSVZNMSVAG-AWEZNQCLSA-N 408.447 0.789 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cccc(C(=O)NCCOC)c2)c1 795805809 NRZHXOTWTBFSOH-UHFFFAOYSA-N 415.471 0.961 30 20 HCED COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[nH]1 796364103 ZVTUKIYGIBXWEA-UHFFFAOYSA-N 401.379 0.475 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)[C@H](C#N)C1 796485990 MKDUFKDLBMKKPD-MRXNPFEDSA-N 415.498 0.570 30 20 HCED CO[C@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cnn(C)c1 798773466 JKXTVBDFWVMNTP-INIZCTEOSA-N 402.411 0.168 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 800660115 HMIRVVXOVNCQOW-RDBSUJKOSA-N 408.480 0.750 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 805346239 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C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 437040896 QSMWCYWLJFLDQN-YOEHRIQHSA-N 403.435 0.625 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 439321000 JRAUNBUQQXNSJF-HZPDHXFCSA-N 404.515 0.973 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)c1 439816923 ZMFPTSCBYXOKNG-HNNXBMFYSA-N 411.480 0.496 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)cc1 442249217 IQGWBUBXGULAQS-UHFFFAOYSA-N 400.416 0.434 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(-c3cnccn3)noc2=O)CC1 444403830 JBZOSTLFLNTUNJ-QGZVFWFLSA-N 423.408 0.841 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3cnnc3[S@](C)=O)CC2)cc1 444405741 SZNUPHMOWCYZGY-OLRZCDJHSA-N 402.480 0.433 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1CCCCCC1=O 460618959 NKRKINMVLWYFCB-UHFFFAOYSA-N 423.477 1.295 30 20 HCED Cc1noc(C2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n1 460692941 RXVVXFJNHVQABD-UHFFFAOYSA-N 420.433 1.484 30 20 HCED Cc1ccc(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 468586716 OHNZHQTWHXBOTQ-MRXNPFEDSA-N 404.423 0.892 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@](C)(C(N)=O)c1ccccc1 481241018 IVXZQKNNNJLOKS-DJJJIMSYSA-N 400.460 0.742 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 484624965 GVFYWYXZHMDIPG-UHFFFAOYSA-N 424.885 0.758 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 484833935 IIHPUGNJSGBYKY-IBGZPJMESA-N 422.507 0.936 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 488760864 OBLJBGMMMKNOOY-UHFFFAOYSA-N 420.535 0.531 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 489012361 LROPZGHNQAKTMA-GFCCVEGCSA-N 422.422 0.519 30 20 HCED C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 499012577 IJFNSAHAYPTNTI-ZDUSSCGKSA-N 404.448 0.593 30 20 HCED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500472586 XKFHWGNVZNGUEU-SECBINFHSA-N 400.254 0.905 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)[C@H](C)Oc1ccccc1C#N 502010045 OOBNEWOMJOFFBK-NSHDSACASA-N 410.477 0.891 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 502316351 JLCWPHDUSDNSRA-UHFFFAOYSA-N 412.946 0.798 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1Cl 503450899 YOFJVASZSYIYHR-GFCCVEGCSA-N 419.912 0.526 30 20 HCED COCCN(C(=O)CSc1nc(N)c(C#N)cc1C#N)[C@H]1CCS(=O)(=O)C1 509235412 MUBHMCRSRUFMSO-ZDUSSCGKSA-N 409.493 0.161 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 513565248 FYDOYUQDQKAISA-UHFFFAOYSA-N 414.397 0.139 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)nc1 518210316 XFXFHQULKVUOTG-UHFFFAOYSA-N 412.837 0.993 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ncnn3-c3ccccc3)CC2)n1 519129855 QYEPLQQHQQIYQC-UHFFFAOYSA-N 416.445 0.499 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)cc1Br 520704965 PEHGNDXLJBPHIH-CYBMUJFWSA-N 418.269 0.384 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)nc1 523082480 OKSLDBDXDXLLJA-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1C[C@H](C)O 525714850 HDFWLZWCSGBPRI-DOTOQJQBSA-N 408.524 0.482 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc(F)cn4)CC3)CC2)o1 539318905 LVIKUZRPHIWOAP-UHFFFAOYSA-N 413.457 0.860 30 20 HCED C=CCN1C(=O)C(=O)N(CC(CN2C(=O)C(=O)N(CC=C)C2=O)C(C)(C)C)C1=O 543644268 HXDZFKCANOBESH-UHFFFAOYSA-N 404.423 0.602 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 557488908 BUBHTOTWKWMXQP-QGZVFWFLSA-N 422.507 0.275 30 20 HCED N#Cc1ncn(CCNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)n1 558150551 MMWKHWIPSKOODY-UHFFFAOYSA-N 415.838 0.220 30 20 HCED C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 559027022 BCISPYFFHXROMO-MRXNPFEDSA-N 419.507 0.876 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)cc1Br 559424698 BHBIFOWOKMRONG-SNVBAGLBSA-N 416.253 0.532 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 561642044 HZRVSLGCYWWJLE-PKOBYXMFSA-N 416.478 0.144 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N(CCO)C3CCOCC3)C2)c(F)c1 561782142 AKLBCCXNQYVVRB-MRXNPFEDSA-N 418.469 0.782 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C)c(OC)c2)c1=O 568352217 MRYVTCJCRIADNJ-UHFFFAOYSA-N 401.488 0.512 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(Cn2ccnc2)c1 577396159 QVXIQDOQUILHBL-UHFFFAOYSA-N 420.477 0.816 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCCO1 579057451 WJWSSJLEDAVKBB-FHWLQOOXSA-N 400.479 0.533 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 608555613 YARJHXIRSJRIMO-CXAGYDPISA-N 424.461 0.585 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nccc3ccccc23)c1=O 610128426 IRGZKPBWEYJOJF-UHFFFAOYSA-N 420.494 0.910 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c(C#N)cnc3c(F)ccc(F)c13)C2 615527136 FSOWAZWUMMFEDI-UHFFFAOYSA-N 413.388 0.851 30 20 HCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 725769787 YFRJXKMAKQXAJD-VQIMIIECSA-N 402.476 0.934 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccccc3)c(C)cc2=O)CC1 729281479 CMLNEFYJXDIPCV-UHFFFAOYSA-N 407.474 0.438 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 731101544 WVZUSSNPUYYKTJ-VIFPVBQESA-N 412.786 0.922 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 732130345 VHWDJLZMWHCUGZ-UHFFFAOYSA-N 414.487 0.970 30 20 HCED CC[C@H](C)[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)NCCN1CCOCC1 732156297 KHGVMISHQHAYEA-JXFKEZNVSA-N 402.495 0.916 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557672 PDMWRMSECPVYIF-JTQLQIEISA-N 410.408 0.816 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H]1CCOC1 743939709 GKJZJOLBZOFLIK-WRGUXLKQSA-N 422.507 0.979 30 20 HCED Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 748415307 JZESFSAWDYJNDC-LBPRGKRZSA-N 421.413 0.996 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(F)cccc2-n2cccn2)CC1 749667004 PPLGZTSTSCPYLX-UHFFFAOYSA-N 414.441 0.396 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCCn1ncc(C#N)c1N 751840303 QUKFGVNFKISCFE-OAHLLOKOSA-N 423.520 0.980 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 753176988 QEYNKUATNJSRJS-ZWKOTPCHSA-N 414.462 0.880 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@@H](C#N)C1 757898687 OZAWPKHYJJOKIZ-AWEZNQCLSA-N 419.467 0.796 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc([N+](=O)[O-])c3N)CC2)o1 758954049 KMPPJLTZYYLHKE-UHFFFAOYSA-N 414.378 0.851 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N(CC)C(C)C)cc2)CC1 761033337 UXFFOQHVGBGKFT-UHFFFAOYSA-N 421.567 0.945 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 761713293 ZSMWDLAKGRRCFH-UHFFFAOYSA-N 405.410 0.655 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(CNS(=O)(=O)CCOC(C)C)n2)c1 761791092 FJLRWGMNKBACDQ-UHFFFAOYSA-N 406.464 0.944 30 20 HCED COC(=O)CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 765717207 DXKNVHKZXAUEHT-AWEZNQCLSA-N 423.491 0.796 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNC(=O)c1cccnc1 766369424 NVIQJBPXDJLUGF-CYBMUJFWSA-N 402.432 0.593 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cn2c(n1)SCC2 767302196 RZEHMKBZJOFUHZ-UHFFFAOYSA-N 405.505 0.776 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1(CS(C)(=O)=O)CC1 767672787 UUYWHSAPSNFIJZ-GFCCVEGCSA-N 400.478 0.593 30 20 HCED C#C[C@H](C)NS(=O)(=O)c1cc(-n2cc(S(=O)(=O)N[C@H](C)C#C)cn2)ccc1C 770364112 IKFDPPAABGTWDV-CABCVRRESA-N 420.516 0.781 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)C[C@H]1COc2ccccc2O1)c1cc[nH]n1 770814302 YITTWQLDXJMEJS-ZDUSSCGKSA-N 402.407 0.992 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771579666 SEQXLAPPLWTYGF-MEDUHNTESA-N 407.224 0.671 30 20 HCED CCOc1ccc(S(=O)(=O)NCCC(=O)OCCn2ncc(C#N)c2N)cc1 771599611 LLDOHEVKGDWVIF-UHFFFAOYSA-N 407.452 0.647 30 20 HCED CCOc1ccc(Cl)cc1C(C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771896546 CBTDXUNHRYUTEA-UHFFFAOYSA-N 414.871 0.839 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1)[C@@H]1CCCO1 773796524 LUAWOFQYYXECKT-JQFCIGGWSA-N 423.491 0.235 30 20 HCED N#Cc1cccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1F 774665959 SSCIGINKTIMANW-OAHLLOKOSA-N 401.485 0.332 30 20 HCED CN(CCCNC(=O)CON=C(N)c1ccc(NC(C)(C)C)cn1)S(C)(=O)=O 774780437 LCEZNFJTFFWJKV-UHFFFAOYSA-N 414.532 0.327 30 20 HCED COC(=O)N1CC(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 782820613 BHLCGQOSKDDRPT-UHFFFAOYSA-N 402.798 0.903 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 783010693 GDZKHMSUEQKNLX-UHFFFAOYSA-N 422.554 0.068 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 783479589 FBODLKAKRNNKOG-GFCCVEGCSA-N 412.851 0.714 30 20 HCED C[C@@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)Nc1ccccc1C#N 785661395 NJIQXLCKULXHAB-WBVHZDCISA-N 414.462 0.609 30 20 HCED C[C@H](CC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 787721662 NVHPORMPLQDDBM-CHWSQXEVSA-N 418.475 0.998 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CCCO1 787873943 HNSPOSSIUGWMMO-ZOCIIQOWSA-N 413.474 0.818 30 20 HCED C[C@H](OC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)N(C)CCC#N 792738911 HBMFOLNQXFERNV-LBPRGKRZSA-N 415.493 0.686 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 799261778 QAENZADLXJXIQY-UHFFFAOYSA-N 405.252 0.714 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 800058780 ZRNUJCYSMRQQKJ-BBRMVZONSA-N 412.487 0.907 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 800660113 HMIRVVXOVNCQOW-MGPQQGTHSA-N 408.480 0.750 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NCc2ccc(C#N)cn2)c1 808307498 VTBLBCNRPPTWBH-LBPRGKRZSA-N 416.463 0.688 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1CCCO1 809304347 IMBDWDQDPLNZAE-MSOLQXFVSA-N 416.453 0.205 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCCN(O)C1=O)n2C 816755130 UBAXITVFDGMSHG-CYBMUJFWSA-N 423.495 0.253 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)C[C@@H](C)O1 816758185 JVYBFPLUGSLOSD-IOASZLSFSA-N 411.480 0.595 30 20 HCED N#Cc1cnc(N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)c(F)c1 1039641985 BNQDXOLSERSZGD-CFDVNRPPSA-N 409.425 0.971 30 20 HCED CCN(C)C(=O)c1cccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1117489549 UERITYLFNZLNTD-MSUUIHNZSA-N 406.464 0.583 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCNC2=O)C1 1118556489 XDSXBFUMFQBILO-KGLIPLIRSA-N 411.532 0.458 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1234035466 FPPVOEQDNPZMTI-YQQAZPJKSA-N 401.467 0.472 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)cc1 1248392804 ASONMWPPJLTPSL-UHFFFAOYSA-N 409.464 0.032 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C 1295743819 XTQHCBQOTAAPOH-HUUCEWRRSA-N 422.507 0.321 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1299262517 NQUMFXDTXSSKFT-AWEZNQCLSA-N 411.466 0.532 30 20 HCED CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1=O 1307065171 YPJBXTXOLBUJOR-UHFFFAOYSA-N 420.481 0.837 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC([C@@H](O)c4ncc[nH]4)CC3)CC2)o1 1307697824 VWSJUXSWXAIBOB-GOSISDBHSA-N 413.482 0.672 30 20 HCED CS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519619683 AFZYODPQCYXJKY-QGZVFWFLSA-N 421.571 0.737 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1615094497 WXYYVRDOCPJNIP-AWEZNQCLSA-N 408.470 0.995 30 20 HCED COCc1nc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cs1 1619673823 KXAAQVUFSHPDMS-STQMWFEESA-N 403.468 0.609 30 20 HCED CN(C)CC1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1620462875 OIKQYSURVUWMDR-FQEVSTJZSA-N 417.529 0.923 30 20 HCED C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1CNC(=O)OC(C)(C)C 1634951861 VOBCBJQNBNJVHY-TZMCWYRMSA-N 405.455 0.972 30 20 HCED N#Cc1cn(CC(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)c(=O)nc1O 1650974354 BZUYFHISUHNEAD-UHFFFAOYSA-N 405.418 0.672 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1654007899 UIZRFGOIPKHGJE-MRXNPFEDSA-N 422.869 0.920 30 20 HCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2)[C@@H]1SC(=N)NC1=O 1778081178 NKLRSXRYOVAQSW-WKZPIUISSA-N 407.496 0.216 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1779006098 GWDAAQWPZHERND-LJQANCHMSA-N 408.575 0.536 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015273 SYFWJCVKUQCPLT-LQOIVRHRSA-N 407.515 0.156 30 20 HCED COC(=O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779135305 YSXMCRORRIRMPB-MVHAPSEQSA-N 423.491 0.435 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779137007 XVMIMQLSFJUSJC-XACCNFBGSA-N 423.433 0.280 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1779138872 FNNIYCWMVNFZIZ-XLKWYTADSA-N 417.462 0.872 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)OC)C2 1779337114 HIUMWSHJSJSOJP-BXTJHSDWSA-N 411.499 0.429 30 20 HCED 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CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)CC#N)C2)[C@@H](O)C1 1842620922 HTWAAZAXMLSECD-CABCVRRESA-N 406.483 0.721 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CN4CCNC4=N)C3)c2c1 1842910019 PCSPCRSQELSMDN-UHFFFAOYSA-N 406.450 0.092 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843191264 VBIPIFUHKUJIMS-CYBMUJFWSA-N 402.455 0.538 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C3=NNC(=O)C3)C2)c(C(F)(F)F)n1 1844223078 QZEZTYYPRBZIBR-UHFFFAOYSA-N 420.351 0.665 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)N1CCN(C)CC1 1845098997 RQTWLKCWYMNVEL-KNORYGFTSA-N 421.542 0.355 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1ccco1)C2 1845188012 URKAXVZAJWDDHT-UHFFFAOYSA-N 403.435 0.722 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1845961070 SELYKOIODFCKBE-AWEZNQCLSA-N 421.498 0.165 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847687445 LPZAVAOCINJZNZ-FZKCQIBNSA-N 419.478 0.970 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2CCOCC2)cn1 1847800710 AMOOBQGLJCSUBK-VDGAXYAQSA-N 412.490 0.772 30 20 HCED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(CC)c2=O)NC(=O)N[C@@H]1c1ccccc1 10855812 IIALDWCUEBJAAD-QGZVFWFLSA-N 423.429 0.773 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 22075583 QTDUNLUABCZNFG-CQSZACIVSA-N 408.476 0.777 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)nc1 50152989 MYJZERDQXBNGJE-UHFFFAOYSA-N 410.482 0.570 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)C1=O 57651658 CNGIHZJVUAZELA-UHFFFAOYSA-N 403.347 0.175 30 20 HCED COc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 109552838 YMEQJOKAUDVOSX-UHFFFAOYSA-N 414.443 0.940 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 409543749 NLXCFPPQWUAJKA-CQSZACIVSA-N 404.496 0.789 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)Nc1cccc(N2CCCC2)c1 409563284 WFTXMFVFXXUEPU-WMLDXEAASA-N 407.496 0.673 30 20 HCED C=CC[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 427469248 KYRRATJKNHQVEZ-MOPGFXCFSA-N 419.547 0.794 30 20 HCED COc1ccc(S(=O)(=O)Nc2c(C#N)cnn2C)cc1[C@@]1(C)NC(=O)NC1=O 438231112 NCIVJSIZMDOVOA-MRXNPFEDSA-N 404.408 0.156 30 20 HCED NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccn4)c3)C2)nn1 442520985 FNVURNIRJFCHQE-UHFFFAOYSA-N 415.413 0.194 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CCN(C)C)CC1 446048033 SBQITSKBJNSAMG-UHFFFAOYSA-N 401.511 0.176 30 20 HCED N#Cc1ccc(OCCNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 461201086 NJGDBZHHUJJFSU-UHFFFAOYSA-N 416.415 0.309 30 20 HCED CN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 478681277 ZUVRNWUCZQJOQM-UHFFFAOYSA-N 421.500 0.899 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 480392155 CUIBDNHAUIBJPD-MRXNPFEDSA-N 416.503 0.838 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 488639483 GSDLZPJTOXEEHA-INIZCTEOSA-N 407.496 0.788 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nccc(C)n3)c2)CC1 491083941 PODMGZVQLZOVJP-UHFFFAOYSA-N 422.489 0.837 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)ccc1F 501464498 ZACGTJULTGAWMG-UHFFFAOYSA-N 407.398 0.979 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCO[C@H]2C(C)(C)C)CC1 504811318 UULZLJRIIZEUDA-SJLPKXTDSA-N 408.543 0.390 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C 505078290 LTTLQFVYDKHXDO-UHFFFAOYSA-N 415.515 0.810 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)CCN1Cc1ccccc1 506161314 VAAYQNUMUGFYLU-FQEVSTJZSA-N 422.485 0.910 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 508446236 MELPCBIROAAAGM-MRXNPFEDSA-N 409.494 0.723 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1)C(N)=O 509012887 GARJBVWLITYMAN-UHFFFAOYSA-N 403.414 0.255 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(CC(=O)OCC)CC2)c1 509727940 FQQOPFAOSPVCAY-UHFFFAOYSA-N 409.508 0.862 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1 509771140 CETUWCVOJZPUQM-CYBMUJFWSA-N 409.512 0.936 30 20 HCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)cs1 516374704 QOKDFUUFNBMYJN-UHFFFAOYSA-N 404.517 0.529 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC#Cc2ccccc2)s1 525178505 WFSYNWCSRBIVAD-UHFFFAOYSA-N 405.501 0.830 30 20 HCED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)cn1 531159513 FCBUNUKOXRQLCY-KRWDZBQOSA-N 418.461 0.961 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 533883413 VWSVQIQLEIUHPJ-KRWDZBQOSA-N 424.526 0.999 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCCO1 536085664 NTXRBDGXCPVIRZ-MRXNPFEDSA-N 424.482 0.749 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 538169858 HJPLQNHCIDRXID-CYBMUJFWSA-N 412.512 0.242 30 20 HCED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 540303636 DIJODNRIYNMDTP-UHFFFAOYSA-N 403.487 0.071 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)c1ccncn1 545447210 QCBNRFKZOGJFJO-OAHLLOKOSA-N 402.432 0.996 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CCC#N)c2)CC1 549305716 WHSRKXIHVVDVAI-UHFFFAOYSA-N 407.496 0.323 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cn4ccsc4n3)C2=O)cc1 550541662 PPDNKFYZNJYAJI-INIZCTEOSA-N 422.470 0.801 30 20 HCED COC(=O)c1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2ccc(C#N)cc2F)c1 551171860 VBYLPRNVDJKFNR-UHFFFAOYSA-N 413.408 0.932 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C#N)o3)CC2)o1 553438103 RWTPTGPMDCGMLA-UHFFFAOYSA-N 410.433 0.701 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 554152968 ZJXJNVARSFDLFZ-HIFRSBDPSA-N 413.521 0.508 30 20 HCED C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 558056824 KGDIHOGYTDWDLD-AYOQOUSVSA-N 411.506 0.716 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 561939433 PXKPHSPHGPDKND-UHFFFAOYSA-N 410.482 0.733 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(c3cc(CC)ncn3)CC2)C1=O 566032685 QAZDIEAWUDGACA-QGZVFWFLSA-N 414.510 0.369 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 566527414 WLMFOMHJQKRHLS-INIZCTEOSA-N 419.507 0.224 30 20 HCED CS(=O)(=O)Nc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 576196369 OYERRGKSGQFPES-UHFFFAOYSA-N 408.461 0.847 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N(CCO)C3CCOCC3)C2=O)cc1 576734639 BGTUCQDMRFTAQO-GOSISDBHSA-N 414.462 0.170 30 20 HCED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 582506146 PYSGWMSHULFROH-CQSZACIVSA-N 409.494 0.700 30 20 HCED COc1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1S(=O)(=O)N1CCCC1 582539711 JHSIBTKFFUKZAH-UHFFFAOYSA-N 406.464 0.838 30 20 HCED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNC(=O)c1cnccn1 583457096 NUHNKSDILSSDGW-UHFFFAOYSA-N 408.462 0.879 30 20 HCED C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866587 MSKXWQOMMCGTLP-XJKSGUPXSA-N 407.434 0.365 30 20 HCED N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 589261835 VGSYATNIMWTSFM-INIZCTEOSA-N 405.480 0.222 30 20 HCED COc1ccc(C(=O)N[C@]2(C#N)CCSC2)cc1S(=O)(=O)N1CCOCC1 603887676 ZHDHVVNGLVORMY-KRWDZBQOSA-N 411.505 0.845 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c(=O)n1C 604434491 XTRJTDIDWACEAL-UHFFFAOYSA-N 415.427 0.854 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 610808281 SCOYMVJKVXFFKN-WMZOPIPTSA-N 419.551 0.463 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCc2cccc(OC)c2)C1=O 726043277 MNTQAKZBFLQXNL-LBPRGKRZSA-N 403.391 0.220 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2OC)C1=O 726043304 MUUOCNMNZNICFH-UHFFFAOYSA-N 409.782 0.807 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cncn2)C1 727761055 WDQLFQDRXFNKEU-HNNXBMFYSA-N 402.480 0.959 30 20 HCED COCCN1CCC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 729983796 SKLBNEPVMWSAKU-HNNXBMFYSA-N 408.524 0.732 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795652 QVYGJPDYXYHPHS-AWEZNQCLSA-N 415.519 0.527 30 20 HCED C[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 733565886 XERNVXOIXFRQFY-QMMMGPOBSA-N 404.404 0.399 30 20 HCED C=C(Br)CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 741272951 SXCMSRYGUPHPCU-UHFFFAOYSA-N 406.306 0.781 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 744024689 ZWZXEMNPVLASDO-OAHLLOKOSA-N 420.491 0.709 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 744878600 OHOVOQBQTVHOQC-LLVKDONJSA-N 400.478 0.188 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 746113560 LISAYKKUDPYBAO-WUKNDPDISA-N 417.466 0.664 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1 748746697 UBPGVRWJJFECMV-INIZCTEOSA-N 407.517 0.734 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CO)C2)c1 749665085 ZDCDTWCXFAVUTJ-HGNXGAGXSA-N 422.507 0.669 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749869548 MDSFNOMADAPLGA-AWEZNQCLSA-N 400.504 0.891 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnnn1CC(F)(F)F 758522190 OBFYNIAUJAWTIO-SECBINFHSA-N 418.357 0.517 30 20 HCED C#CCCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 762307309 YQHCSOMMXALLRL-UHFFFAOYSA-N 414.528 0.676 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)NCC)cc2)CC1 763655641 VIDHBORZKANYCL-UHFFFAOYSA-N 406.508 0.656 30 20 HCED Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=S)NCCCN1CCOCC1 768352368 OJHZNWMAJJGBHZ-UHFFFAOYSA-N 424.571 0.972 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 770836832 UNQUBOUKJLXMIF-POZUXBRTSA-N 417.487 0.826 30 20 HCED COC(=O)[C@H](CSCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)NC(C)=O 790012529 QEAGLXWZZRXDNY-LSDHHAIUSA-N 424.548 0.868 30 20 HCED Cc1nc2cc(F)c(F)cc2n1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796712450 IYKOLKAXOZDCJK-LLVKDONJSA-N 410.402 0.589 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1=O 799027550 MEMBMRFLADCSJI-HIFRSBDPSA-N 404.492 0.749 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 799288317 YFKQVRAYVLPBBO-CYBMUJFWSA-N 413.471 0.732 30 20 HCED 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418.494 0.245 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1832452939 KXHHKTKAYRHVMM-KXBFYZLASA-N 413.540 0.229 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834085374 WDVLUMXAZAQXON-HNNXBMFYSA-N 404.515 0.591 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CN4CCOC4=O)CC3)CC2)CC1 1834599254 GRGNDKZXWQRPRF-UHFFFAOYSA-N 403.483 0.314 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834769517 KDWFQMNPFBQZKV-AIRUHKMPSA-N 410.467 0.153 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835612960 DTRLPIRCRNQNLN-OAQYLSRUSA-N 423.558 0.113 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1835681275 RFTPBMMVFUOAOV-OAQYLSRUSA-N 422.526 0.030 30 20 HCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1ncon1 1836045887 JDVNTVWRCZMURH-CIAFOILYSA-N 414.466 0.967 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1837397876 XIAGQXLVJHFSSR-VBKZILBWSA-N 422.482 0.208 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525253 LEBGYKSZTSAHPJ-WRJCRLLZSA-N 422.482 0.522 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)CCC1 1837968712 JKJFUVIVTANIJS-UHFFFAOYSA-N 401.471 0.366 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)O)C3)C2)c1 1838584592 ZTAFLNVNZJJBHV-XOBRGWDASA-N 403.435 0.018 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839227744 XMDDBBBHMLBHGM-OXJNMPFZSA-N 420.466 0.191 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487690 FLQLPPLHBSPKMR-FQEVSTJZSA-N 408.418 0.418 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839839891 PJJJUASITOZFFR-YCRPNKLZSA-N 416.478 0.463 30 20 HCED Cc1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840040996 KCMQLQSFCRWAQA-QFIPXVFZSA-N 414.458 0.390 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1840160997 BATWWMOHYHNHCA-ZRGWGRIASA-N 409.508 0.184 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840161163 GLCFASMBMWAULO-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1840163290 FZJSULJDGGPVQR-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840900851 STVAOBHUCQLRGS-HRAATJIYSA-N 414.462 0.175 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1841605104 WGVPNZFSRBGNJE-UHFFFAOYSA-N 413.540 0.598 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CS(C)(=O)=O)C3)c(C#N)c1 1845138433 AQKYATXHLBUMID-UHFFFAOYSA-N 405.476 0.357 30 20 HCED CC(=O)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 10911453 ILUVSVPGYOXOGN-IBGZPJMESA-N 406.508 0.594 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 41558019 ZKGGIHDVJSMAHD-UHFFFAOYSA-N 408.414 0.645 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(CCOC)c2C)c1=O 60892028 LDFFVLKICXZKRL-UHFFFAOYSA-N 402.451 0.491 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 409543748 NLXCFPPQWUAJKA-AWEZNQCLSA-N 404.496 0.789 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 409562582 MULMNDUXODIDSH-CQSZACIVSA-N 401.514 0.114 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CCC1 430983974 KEAXUDNKMXHDCY-UHFFFAOYSA-N 413.499 0.909 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C1=O 440252101 FLUIUIHGZINVJS-ZOBUZTSGSA-N 415.494 0.879 30 20 HCED COCCOC1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 441516787 OGGGJRRYCAAQGH-UHFFFAOYSA-N 403.826 1.210 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)c2)c1 442270905 LZTXYKMICABRLL-VQTJNVASSA-N 422.437 0.766 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cnn1-c1cccc(C#N)c1 443697162 WNVRXAUXPQNGLW-GFCCVEGCSA-N 418.479 0.428 30 20 HCED Cc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1CCC#N 445615133 GLKWNDLBMYPPFA-UHFFFAOYSA-N 407.478 1.506 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H](C)OC 463416094 LTDZAVJGFVIVHS-INIZCTEOSA-N 408.524 0.748 30 20 HCED Cn1c(=O)c2ccn(CC(=O)Nc3ccccc3-n3cnc(C#N)n3)c2n(C)c1=O 464644401 BUBAMEDLDNJNMP-UHFFFAOYSA-N 404.390 0.130 30 20 HCED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 474221604 ZMWPRJGAJNUOPK-LSDHHAIUSA-N 408.524 0.529 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1 476278797 RLASIPKXGBUIHQ-OFLPRAFFSA-N 411.462 0.919 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 483590359 IYQYWAIELWYAHP-WFASDCNBSA-N 414.509 0.918 30 20 HCED CC[C@@H](C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 484431357 SRPXKCSWXNRFAY-LBPRGKRZSA-N 404.448 0.993 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1F 489701197 ORZZVOMLBYXWOL-NSHDSACASA-N 404.466 0.872 30 20 HCED CC(C)C(=O)N[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 505339270 MINOCXYFICVAFD-MRXNPFEDSA-N 406.508 0.942 30 20 HCED Cc1nccnc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 508351483 CNFUWFVRUOFSSM-OAHLLOKOSA-N 414.491 0.672 30 20 HCED C=CCOc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1OC 508387749 JNRMKSJBWJXECX-HOTGVXAUSA-N 410.492 0.176 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508924529 XYULYITYHWZMOA-UHFFFAOYSA-N 405.470 0.868 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 509298460 NXIIXCVUTYAVKV-GFCCVEGCSA-N 404.489 0.934 30 20 HCED N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 510074526 UPYYTAFHSKEYJX-UHFFFAOYSA-N 423.476 0.257 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)CC1 512467637 DVOXLTQDTHIVOD-RBUKOAKNSA-N 405.543 0.392 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)cc1 515951681 DMEQXVSBGTWMGW-UHFFFAOYSA-N 416.445 0.817 30 20 HCED N#CC1(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)CC1 523158910 BJZUDAAMRUFSSU-UHFFFAOYSA-N 404.448 0.941 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 523607525 GGHUKOHNJYYYPM-WMZOPIPTSA-N 420.535 0.890 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(N[C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cn1 524637804 VPCOWFPWRMSROG-QGZVFWFLSA-N 402.480 0.261 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 536261945 DAEKFXITWYCPGW-SUMWQHHRSA-N 423.491 0.700 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)O 542859063 SWCKRZHUPSZJTF-HNNXBMFYSA-N 400.478 0.616 30 20 HCED COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 550091269 KINOWOMFDNTGQD-QGZVFWFLSA-N 401.444 0.737 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 554399778 ZTKDDEQQMWHAQN-WMZOPIPTSA-N 411.506 0.970 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)CC1 557732460 SUHUDGFVPWUKLK-GOSISDBHSA-N 400.527 0.891 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccnn3CC)C2=O)CC1 557767283 PAMKHZNAMLEIBQ-KRWDZBQOSA-N 416.526 0.671 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCc3cccc(C#N)c3)CC2)cn1 558082590 ZKFDZNZCCQFNIS-UHFFFAOYSA-N 416.507 0.987 30 20 HCED Cc1cnc([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 574313373 QQPPJDBPUIWECC-CYBMUJFWSA-N 401.496 0.891 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ccccn3)CC2)n1 579179150 QXDZMMUDWGZPCN-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)ccc1C#N 581974573 OJKUMCWRGAKKGU-UHFFFAOYSA-N 408.418 0.153 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)nc2n(C)c1=O 590416229 HGTSYQIWOXHXGW-ZDUSSCGKSA-N 406.402 0.192 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 610776397 NWMYJYJHJANQDB-HOCLYGCPSA-N 424.465 0.400 30 20 HCED Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nn1CCC#N 611246415 WSSQFEDEJPHTEL-UHFFFAOYSA-N 406.468 0.717 30 20 HCED Cc1ccc(C)c(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 727163707 GHKBKPDZGADZGX-UHFFFAOYSA-N 402.501 0.103 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)CC1 728573822 VYUKUXZEGCTQTE-UHFFFAOYSA-N 413.522 0.474 30 20 HCED 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CC(=O)N1CCN(C(=O)CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 761700524 RIUAPCRKJCQGPN-IBGZPJMESA-N 413.478 0.722 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCS(=O)(=O)C(C)(C)C 763403930 ODFPYUWLGQAQOM-UHFFFAOYSA-N 418.479 0.715 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(C=C)c2)c1=O 772330885 POXVPZVXXFTCRG-UHFFFAOYSA-N 401.451 0.982 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(S(=O)(=O)NC)c1C)c1cc[nH]n1 772383319 CKIKTBBIXMUWQJ-UHFFFAOYSA-N 423.451 0.549 30 20 HCED COC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 775942090 NUVZSNLAIOXQDG-SFHVURJKSA-N 403.458 0.919 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 782959837 NITAKUNWCOHLAE-CQSZACIVSA-N 412.439 0.438 30 20 HCED CN(Cc1ncnn1CC(F)F)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 785586748 GBXNKQRTVQINPA-UHFFFAOYSA-N 412.422 0.630 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2C)CC1 788895643 ICJUXSJZXMAICY-UHFFFAOYSA-N 421.519 0.618 30 20 HCED C#C[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1F 796087354 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30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(=O)N(C)C)[C@@H]1c1cccnc1 1806936016 JQWNYKLDIYLHKP-UWAMSTNLSA-N 413.478 0.034 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CC(=O)NC)[C@H]1c1cccnc1 1810248755 SHNRIWYWSQWNOT-GJYPPUQNSA-N 402.495 0.797 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)CC1 1811185576 VYJSZAIEEXHJQJ-WMLDXEAASA-N 419.445 0.594 30 20 HCED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1813049719 AEBUTTTWPXROKE-LPHOPBHVSA-N 414.462 0.434 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCCn2ccnc2)[C@H]1c1cccnc1 1813357798 LNYLVKVFNNPEDL-DYESRHJHSA-N 409.446 0.852 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1815197582 VZVUSBOCVXWCNE-HIFRSBDPSA-N 401.471 0.280 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1820968418 FHOCWVRKBYOFEG-NFAWXSAZSA-N 421.502 0.796 30 20 HCED CN(C)C(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821595541 HLPCSQIAEXLOHZ-NSHDSACASA-N 415.479 0.840 30 20 HCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1823087608 OHNMTPZIDFXVEL-MNXVOIDGSA-N 409.512 0.579 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncn(C(C)C)n4)C3)C2)C1 1829668352 LTNZNSNUEKYKST-HXUWFJFHSA-N 403.483 0.895 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1829789260 UHILQJNCUBUCOI-NRFANRHFSA-N 409.527 0.961 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830055859 GNDNQNXFLDGXMH-FQEVSTJZSA-N 405.499 0.274 30 20 HCED C[C@@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1)N1CCN(C)CC1 1830242558 OQMWZLJQVARYOX-HKUYNNGSSA-N 418.538 0.330 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1830638488 UDVOWQQUFWEHCT-JOCHJYFZSA-N 421.538 0.983 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1831396667 OZQGHGIIFOUCSJ-KKSFZXQISA-N 418.494 0.091 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1831500240 YPGZAGZOZVOZMN-GJYPPUQNSA-N 400.541 0.824 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831866754 AAMIGJGZMJDBDN-OXQOHEQNSA-N 406.483 0.390 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832165609 APAFJWZCJZGRMQ-GDLCADMTSA-N 400.419 0.074 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834011929 CXVMXMMWCGCTCJ-VKUXZERMSA-N 414.462 0.010 30 20 HCED CCOC(=O)/C=C/C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1834401373 AQGRNJIAEASLBJ-ONEGZZNKSA-N 402.495 0.981 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)N1CSCSC1 1834761212 SZIOXWNYOQGJEI-YOEHRIQHSA-N 414.553 0.399 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835267761 DSIMVCWNWBEJJJ-QFIPXVFZSA-N 422.522 0.302 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)c1 1835536663 QURDQIMKIXXUNT-DRSNIGMVSA-N 414.506 0.978 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cccnc4)CCO3)C2)c1 1836181649 BWTTWNFLCIMDOC-QFIPXVFZSA-N 423.473 0.984 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1836213009 RHHBPJWIHYGTOY-NRFANRHFSA-N 424.461 0.228 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837306136 UJYHCHOHFGRSKR-UGKGYDQZSA-N 421.538 0.543 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837395377 YNZMEKWOGSSKPH-MGPUTAFESA-N 404.467 0.120 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1837447909 WYSQTBFKEGHLMX-NPJMMCDESA-N 424.567 0.810 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(F)n4)C3)C2)c1 1838737897 DWOYOBUHFCELCC-HXUWFJFHSA-N 413.409 0.804 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838816717 OZJLTXQLMLMOEV-DYESRHJHSA-N 403.479 0.442 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1839030656 ZKGJUXBIPWFJQI-HXUWFJFHSA-N 403.410 0.244 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1839223885 BIILYACRYPOXFE-DYESRHJHSA-N 418.494 0.881 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839844799 VIPBSFHCGSMYKZ-XQBPLPMBSA-N 422.570 0.291 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1)C(F)(F)F 1839893490 WSLPGDNCLSOCRR-INIZCTEOSA-N 402.373 0.527 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840217204 NLPPZUKXFHOIJQ-NRFANRHFSA-N 422.478 0.647 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840435134 XKTQGMASFASTIP-JOCHJYFZSA-N 414.506 0.449 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840454515 IKCCRYLLQKAFTM-VCBZYWHSSA-N 409.508 0.624 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840842597 PSRQUEQQFZJDLB-JOCHJYFZSA-N 411.458 0.413 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1841054514 KBUHSTHBPVABOT-WAYWQWQTSA-N 413.434 0.974 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2COc3ccccc3O2)C1 1841895158 DIYAHPVWMVYKPF-GIFJBRJJSA-N 411.458 0.888 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]13)C2 1845960434 BXLLSAURKCSFHW-ZMSDIMECSA-N 403.479 0.847 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979663 FTJDDOIDNSXYTL-OAHLLOKOSA-N 413.478 0.848 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)C#N)C1 1847346325 IBTFGHIHSUFZBL-FXUDXRNXSA-N 420.510 0.966 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CS(C)(=O)=O 1847822599 PDCVPCOVRSTCIO-ILXRZTDVSA-N 400.497 0.378 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccccc1CN1CCC(O)CC1 409496793 AIDYDTISRNBHGP-UHFFFAOYSA-N 410.540 0.840 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)CCO1 409560701 HEBAUBNLOGRUIA-INIZCTEOSA-N 411.459 0.881 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCC34CCOCC4)CC2)c1C#N 430775204 GELZWIWAXRZRJY-KRWDZBQOSA-N 414.510 0.714 30 20 HCED C=CCOC[C@H](NC(=O)[C@](C)(O)CN1C(=O)C(C)(C)c2ccccc21)C(=O)OC 435951741 XEJWPKOJSFCZPA-YCRPNKLZSA-N 404.463 0.922 30 20 HCED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442522167 JJTMJNWGRUJBLV-TZMCWYRMSA-N 401.398 0.820 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@@](C)=O)CC2)cc1 443274880 QQRXELCMDQLESU-AREMUKBSSA-N 413.521 0.459 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 448425583 KZCUYTLMBOEJGD-PDSXEYIOSA-N 424.461 1.181 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCn1nc2n(c1=O)CCCC2 462100267 HPVJYUDNDKJEGF-UHFFFAOYSA-N 421.465 1.354 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCS(=O)(=O)N1CCCC1 465191802 GVZRFSXVQLNHGO-OAHLLOKOSA-N 406.512 0.591 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 467055215 ADWRTODWEDKXIX-NSHDSACASA-N 420.376 0.967 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)c1=O 471245822 JKEQZQIDOPFEMX-UHFFFAOYSA-N 424.396 0.532 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C(C)C)c1=O 478845689 WJHSVLKEWUXPOA-UHFFFAOYSA-N 401.492 0.069 30 20 HCED N#CCC1(O)CN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)C1 479313501 GSXJDVJAAQLNGK-UHFFFAOYSA-N 400.254 0.983 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccn2)CC1 479871124 GVYRRMBHASGKHK-INIZCTEOSA-N 413.503 0.964 30 20 HCED CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 480861167 CWSFBZNQSQAHMR-UHFFFAOYSA-N 409.512 0.732 30 20 HCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccon2)c1=O 480958010 HFHVIYJZJHDRKM-UHFFFAOYSA-N 424.482 0.982 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(OC)ccc3F)CC2)C1=O 481398076 CKGFDJWFLXXZOJ-UHFFFAOYSA-N 404.398 0.460 30 20 HCED CCN1CCN(CCCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482181165 SLRPYGUDRVWJDK-QGZVFWFLSA-N 421.567 0.759 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]1CN1CCOCC1 482376821 HJCKAINFVPRWQM-RDJZCZTQSA-N 406.508 0.548 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 487513453 HWDVXCNIEPWRBJ-LJQANCHMSA-N 407.478 0.924 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 489009506 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HCED COCCOc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 551065767 XQRLZLFIWZCYMR-MRXNPFEDSA-N 411.418 0.992 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2N2CCOCC2)C1=O 556212020 LWWOXOSNKJWFMU-GOSISDBHSA-N 400.479 0.385 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 558065330 SGRSNKWFTCWVLF-INIZCTEOSA-N 401.510 0.466 30 20 HCED COC[C@H](C)n1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3F)[nH]2)[nH]1 559050302 DRQDWTCJHJGUES-LBPRGKRZSA-N 411.397 0.708 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CC(N)=O 562467267 RHSKZSZXOLLIMD-UHFFFAOYSA-N 418.906 0.386 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 565683172 JUIAFWHIUPUZDS-MSOLQXFVSA-N 402.495 0.845 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)Nc1cnn(-c2ncccc2C#N)c1 577032668 VCPDBZCKQKCLOP-UHFFFAOYSA-N 401.408 0.661 30 20 HCED CCO[C@@H]1C[C@](O)(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1(C)C 577310359 PSWINIJQMFDMFE-QRWLVFNGSA-N 412.450 0.760 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(F)c2)c1=O 590986664 XLDXTZQBZWEGQL-UHFFFAOYSA-N 405.451 0.343 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 609812845 JHIUNJQAMBSDBJ-OAHLLOKOSA-N 410.434 0.939 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(N)=O 609954067 RGLDNVWRMJINCC-MRXNPFEDSA-N 401.467 0.740 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 610695097 WDXFRHGQMSSHBR-CYBMUJFWSA-N 400.464 0.655 30 20 HCED Cc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1S(=O)(=O)NCC#N 611157020 CGODMAMYTYHXSI-MRXNPFEDSA-N 417.491 0.793 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCCO2 619538561 KEKXQZOTSASCQR-UHFFFAOYSA-N 419.462 0.919 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670197033 JNACCHCHASOMNI-AWEZNQCLSA-N 424.465 0.974 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 728531886 KEMHVPARWMMSPQ-ZDUSSCGKSA-N 404.389 0.043 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCS(C)(=O)=O 729673114 FFCOGLJCPKOLAU-UHFFFAOYSA-N 410.542 0.744 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 733310212 AOFNTFOBDZYDOK-GXTWGEPZSA-N 403.464 0.525 30 20 HCED N#C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCC2(CC1)NC(=O)NC2=O 735911909 XPKJJPNKCIDLCI-RAOFGAQOSA-N 412.402 0.874 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 743945938 DZYCDYADBSDMLE-UHFFFAOYSA-N 404.442 0.445 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 744264692 CWJKGVHDGHLCTG-MRVPVSSYSA-N 413.399 0.512 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)c(C)c2)c1=O 758050164 DESGKKRZLAUCTL-UHFFFAOYSA-N 416.300 0.863 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2)c1=O 758051888 OOWGWPYYSJWOFC-UHFFFAOYSA-N 413.886 0.558 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2coc3ccccc23)c1=O 758076063 FBELHTHLMLXQIT-AWEZNQCLSA-N 421.478 0.943 30 20 HCED CN1CC[C@](O)(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 762829398 YVMLDVVGZYAKLF-RWZYYMRUSA-N 409.512 0.688 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCc1nnc2n1CCCC2 765397973 QVADSGZSVKBHEW-UHFFFAOYSA-N 402.480 0.402 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NOCc1ccccc1 769197499 ZDWJRFGVRIOUEV-UHFFFAOYSA-N 403.416 0.628 30 20 HCED CCCc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1 774541326 REDGCMTUFQCPFO-UHFFFAOYSA-N 401.513 0.934 30 20 HCED COc1ccc(CCN2C[C@@H](C(=O)NS(=O)(=O)CCCC#N)CC2=O)cc1OC 776119676 WEUXEJTZLBXRAO-HNNXBMFYSA-N 423.491 0.845 30 20 HCED CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1)C2=O 780204953 KXYOYUCGKLIPDV-WCKOCXJASA-N 414.418 0.667 30 20 HCED COC(=O)C1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 782062579 HHSJNXJKGXQTSG-UHFFFAOYSA-N 409.464 0.201 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 783358639 PBHPAZZZFLJKQK-HOCLYGCPSA-N 424.461 0.957 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[nH]1 786091211 KBHQORAZTSMZSL-UHFFFAOYSA-N 418.431 0.703 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)n2)c1=O 790421003 LQVWPSPNOKQPNG-UHFFFAOYSA-N 414.487 0.085 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2CCN(S(N)(=O)=O)CC2)C1=O 793985484 BSKZHZZIPFICPV-QGZVFWFLSA-N 417.532 0.604 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(C#N)nc3)CC2)CC1 801552665 RGMLWBUGWIBNOJ-MRXNPFEDSA-N 400.483 0.764 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c(F)c1 802551953 JALWEVOBWARIJX-UHFFFAOYSA-N 413.384 0.727 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CCCO1 805036353 XSPQJXLKAQZBBZ-RBUKOAKNSA-N 418.538 0.124 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(F)cc1C 815012553 MFTFUTNXUTVMFN-NXVVXOECSA-N 411.411 0.725 30 20 HCED C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1C(=O)CCC1=O 917689413 BQARDUXAHARQEU-FTRNENOISA-N 406.464 0.975 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 996934895 PHPZHYYPYOKJSY-MLEONAHRSA-N 402.451 0.329 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1nnn(C(C)(C)C)n1 1000567337 UQMWIHJHIZPPSP-OWYFMNJBSA-N 402.499 0.810 30 20 HCED O=C(Nc1cn[nH]c1)[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1298226188 JEPLBMBYPVSOAA-LBPRGKRZSA-N 416.463 0.326 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1324758723 AHCVATHLRKFALT-JENIJYKNSA-N 401.463 0.784 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cncn2)C1 1360785647 ZQVDETOOXOZQFF-RHSMWYFYSA-N 404.500 0.602 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1505326305 XQXIOZUPSUWNKG-WBVHZDCISA-N 416.507 0.817 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1519164090 QAJOCSQRUXSYRK-OAHLLOKOSA-N 406.487 0.527 30 20 HCED Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN(CCC#N)CC2)CCCC1 1635905837 NLBWMNOBGLVXER-UHFFFAOYSA-N 409.512 0.940 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCOCC1 1729222559 QYCFGFVGZQPBLK-UHFFFAOYSA-N 404.496 0.983 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1766430053 YNEJGULZTVSEQJ-KGLIPLIRSA-N 418.420 0.806 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1767575059 JQWUXXXLCFTPEB-ZDUSSCGKSA-N 419.511 0.184 30 20 HCED COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)S)C3)n1 1778247191 SEKZOMAQVSTZNO-ZSZQSSIHSA-N 410.540 0.975 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1778966737 CRFFJTKLAHKPJT-IIBYNOLFSA-N 418.494 0.892 30 20 HCED Cc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779102104 WQABIBCLDKMZMT-SNLHJCLZSA-N 417.466 0.758 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197336 CSWOXIWZGGYRKW-HNAYVOBHSA-N 406.508 0.804 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779251014 AVUONQKDADNTPR-MVAZDOBMSA-N 421.542 0.593 30 20 HCED Cn1ncnc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359271 DAKXLNVFAYWKPB-QEOZXUELSA-N 417.514 0.414 30 20 HCED Cc1ncncc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779668202 ANGHJMMUDTUVDE-JOCHJYFZSA-N 412.490 0.927 30 20 HCED Cc1cnoc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779936981 QKGSXMOYYHTLDF-VSWNAAFFSA-N 406.439 0.956 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780124202 RGDFYSQXFOPCAH-YYFZDKIDSA-N 419.482 0.698 30 20 HCED COc1cc(OC)c(F)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1780133697 YXKRECHRPWPATB-FQEVSTJZSA-N 420.393 0.374 30 20 HCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780156671 RFDUXUSPMLOPPP-HXUWFJFHSA-N 401.419 0.193 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)Cc1ccccc1)C2 1782015735 XHGXVGGYHTUQIF-NJNPRVFISA-N 414.458 0.192 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782363770 KFGMBMJIIOFTNQ-QVKFZJNVSA-N 414.437 0.955 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782563998 MISCXBASTCVOME-CBGDNZLLSA-N 419.526 0.755 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4ccnn4)C3)C2)c1 1782761750 YNGAQUZMEYMDRM-VFNWGFHPSA-N 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411.466 0.034 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC(C)(C)C#N)c2)CC1 510661638 WHTWAVBDPKUBBD-UHFFFAOYSA-N 421.523 0.617 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccncc2OC[C@@H]2CCOC2)C1=O 515902015 SEHXWBUBZUWFAU-CYBMUJFWSA-N 402.407 0.090 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(C(N)=O)cc1 522536769 HSWLEWVXYIAKBD-UHFFFAOYSA-N 424.507 0.617 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 525876031 CGVDLYODUDOVHV-UHFFFAOYSA-N 414.466 0.371 30 20 HCED CCOC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 534017847 FPVZKNBQFHORSQ-QGZVFWFLSA-N 423.491 0.885 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 537145420 BIPQPTOFNMLTHP-UHFFFAOYSA-N 413.438 0.863 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCCSCc2ccccc2C#N)n1 541156840 FBEVNXMFNNAJIC-UHFFFAOYSA-N 415.479 0.226 30 20 HCED N#Cc1ccc(C(=O)CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 552325556 XKOSYKHDGMMMPG-UHFFFAOYSA-N 406.446 0.776 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C 553069428 ZHOLJMNUIFXNNX-HLLBOEOZSA-N 406.508 0.547 30 20 HCED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2C#N)cc1[N+](=O)[O-] 562912838 XFDQAKKEKBWQLL-LBPRGKRZSA-N 411.440 0.444 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](CCS(N)(=O)=O)C2=O)c1 564280086 GQJBWLIISCHSLW-HNNXBMFYSA-N 421.479 0.149 30 20 HCED N#Cc1cncc(S(=O)(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 568569809 CLLJFMHCXUCLJJ-UHFFFAOYSA-N 401.496 0.624 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C 604270296 MKBJKRXJQCWENJ-UHFFFAOYSA-N 416.478 0.165 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 609088967 JBXDBAZSTDKLGE-UHFFFAOYSA-N 410.434 0.661 30 20 HCED N#Cc1cccc(CS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 609224469 JYJHZIYFVNKPMI-UHFFFAOYSA-N 407.473 0.948 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 609690007 KPPQCGNMPHLYTC-UHFFFAOYSA-N 420.422 0.998 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)CCc2c(C)nc(O)c(C#N)c2C)cn1 610187304 HEQWNBIQGMXKAQ-UHFFFAOYSA-N 400.439 0.806 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CC(C)C)CC1 673276003 UPXQUDYJOGCSHD-SFHVURJKSA-N 407.559 0.060 30 20 HCED CC(=O)NCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 726106846 VNECFIKYAXFLGU-QKDOTCOFSA-N 403.508 0.729 30 20 HCED CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 726943362 GCKMPUJNPKDGAI-UHFFFAOYSA-N 414.915 0.936 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 728572628 MCMYGPHENZKNMY-INIZCTEOSA-N 402.495 0.248 30 20 HCED NC(=O)[C@@H]1c2ccccc2CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 730792746 IVPKOIOXPOVTDI-SFHVURJKSA-N 412.471 0.727 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)o1 732338952 ATYXRDYRUOYMCA-UHFFFAOYSA-N 423.385 0.244 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc4c(c3)nnn4C)nc2)CC1 737424642 LCMBYNHJGNROAR-UHFFFAOYSA-N 414.495 0.745 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741218844 RVJFXNAHHNNEEA-SFHVURJKSA-N 405.543 0.348 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741372621 HLNSWBJMOYTSFH-GFCCVEGCSA-N 412.443 0.009 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cn1 746366245 SGPJGTLUSMGJQN-UHFFFAOYSA-N 424.417 0.951 30 20 HCED C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 751732000 YUGZXPYWLVAMAC-NEPJUHHUSA-N 404.448 0.967 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cccc3c2OCO3)c1=O 758077162 RYJKRYWKKSHTGZ-UHFFFAOYSA-N 409.467 0.691 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(F)c2F)c1=O 758077799 SVQOHJDYJGCVSH-LBPRGKRZSA-N 417.437 0.475 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758078840 CAKTUHPOVRWXKO-UHFFFAOYSA-N 409.467 0.342 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCC)cc2)c1=O 758079602 OSLDTDKVJHVHHJ-UHFFFAOYSA-N 423.494 0.304 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)cc2Br)c1=O 758079772 QZLDDTKOAZBZMZ-UHFFFAOYSA-N 420.263 0.694 30 20 HCED COC(=O)COc1ccc(C(C)=NO[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 759004032 NIRCTMQTTGKQCS-HIFRSBDPSA-N 412.464 0.671 30 20 HCED CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 770795810 YEADTOIRWAIVLX-AWEZNQCLSA-N 411.422 0.733 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCC#CCO)ccc2Cl)C[C@H](C)O1 774293150 PWRLQNOZBZWNLY-STQMWFEESA-N 400.884 0.863 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](Oc3ncccc3F)C2)c1=O 782851039 BXEOCJJELXVODD-OAHLLOKOSA-N 417.441 0.579 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1 783347839 SEFCFNBRCQGHQW-HNNXBMFYSA-N 409.508 0.735 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)c1 787639136 QZOBZNJCBAWNTI-ZDUSSCGKSA-N 409.464 0.719 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 793195222 IHSZICZSETWQQO-FRRDWIJNSA-N 413.521 0.643 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CC2)C1=O 793196281 HXZFVDFKTRUJNG-QGZVFWFLSA-N 420.447 0.212 30 20 HCED C=CCN1CC[C@H](N2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)C1=O 798364421 RQJLJTLNJITLJL-SCLBCKFNSA-N 407.423 0.537 30 20 HCED C#C[C@@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 799047428 ZANQVJFXKZBMDZ-HUUCEWRRSA-N 423.491 0.144 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1)c1ccncc1 805805660 DCIWWFCMJBBHBQ-GOSISDBHSA-N 401.511 0.828 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1C#N 809504707 RMRBSBHSWGOGFC-INIZCTEOSA-N 403.435 0.752 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2ccc(S(N)(=O)=O)cc2)cc1 811645496 OKNRHTVACACOSM-UHFFFAOYSA-N 411.461 0.823 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1COCCN1CC(F)(F)F 816127749 HDOZRKXTGCKFBQ-NSHDSACASA-N 422.341 0.534 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)CN1CCCC1 816625970 RCORQVHEGKOTMC-RDJZCZTQSA-N 422.551 0.857 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)C[C@@H](C)O1 816758187 JVYBFPLUGSLOSD-ZENOOKHLSA-N 411.480 0.595 30 20 HCED NS(=O)(=O)Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 900717268 BUCPUJRQPBZPIZ-UHFFFAOYSA-N 408.461 0.152 30 20 HCED C=CCNc1nc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cs1 917232040 NVHVGGISFVYGIE-UHFFFAOYSA-N 423.539 0.957 30 20 HCED CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 919352720 NAKJXDARBDBLNL-UHFFFAOYSA-N 415.418 0.891 30 20 HCED C[C@H](C#N)CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1115905148 UYRSYQHACKAHFY-UKRRQHHQSA-N 401.510 0.386 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3ncc(Br)c3C2)cc1 1147420435 IMVLXCZLROCTEN-UHFFFAOYSA-N 424.280 0.838 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CC3(CC#N)CC3)CC2)cn1 1210000282 OEZBLXVLQCSHNJ-UHFFFAOYSA-N 401.514 0.186 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2=O)cc1 1252802118 QEBSPCPVCCSSBP-IEYYFSCXSA-N 418.453 0.834 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 1323093680 JABXJVKPQBWWCD-UHFFFAOYSA-N 400.523 0.913 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)o1 1458293211 QUMQSSANSLXXLX-KXBFYZLASA-N 422.507 0.924 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)nc1 1464406197 QEYNYXRHLDQXFL-SFHVURJKSA-N 411.437 0.461 30 20 HCED CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1515719513 SDPFABRNTAZVJM-KBPBESRZSA-N 411.532 0.639 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1532907129 TWGNFSYGQLSOSN-INMHGKMJSA-N 413.430 0.864 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1555995823 LMMQVBCWVUGXGM-QAPCUYQASA-N 409.512 0.462 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)C(C)(C)C 1596792427 WHBRHFBELYJCQT-STQMWFEESA-N 413.548 0.646 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1597694184 QILFNMYRPNGQRA-PXAZEXFGSA-N 412.491 0.884 30 20 HCED N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)CC1 1620355354 RUATZKFENULBED-UHFFFAOYSA-N 415.542 0.987 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@](O)(CC#N)C2)cc1 1630966721 SMLAHTCTISXZLU-KPFFTGBYSA-N 421.519 0.811 30 20 HCED CC1(C)CCCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)[C@@H]1C#N 1634845716 WOEZLFDYCQZVHT-OAHLLOKOSA-N 413.521 0.909 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C[C@@H](C)O1 1660664705 XRMGXHUBWKMGLL-GASCZTMLSA-N 422.573 0.228 30 20 HCED CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698299949 JRDYOVZHRKOHKD-CVEARBPZSA-N 417.491 0.963 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)CCOC1 1710483777 OTXNCFUFWOGWDG-QRWLVFNGSA-N 420.514 0.964 30 20 HCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1761131955 RBZFKBQEKSCINB-ULQDDVLXSA-N 417.514 0.315 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1778977822 YNSBAOQTEUYSPP-WWMYMODYSA-N 409.527 0.694 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)O1 1779101935 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C#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 7895411 NXIBGCFNSDFZHY-UHFFFAOYSA-N 400.840 0.267 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 303867547 CYJLWGUNLXSXPV-UHFFFAOYSA-N 411.528 0.962 30 20 HCED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(OC(F)F)cc1 409497836 FYSRGOUZIYVIBB-STQMWFEESA-N 405.379 0.561 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n(-c2ccccc2)c1C 428759623 PPDSSELTUVBXNR-QGZVFWFLSA-N 420.473 0.547 30 20 HCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C1 438310546 BCLCWANAEZKDGU-IRXDYDNUSA-N 401.515 1.451 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 439316194 CJLYYMCNVHOTAD-JLTOFOAXSA-N 402.499 0.774 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 441419020 SJZKNAIGACIYCV-NVXWUHKLSA-N 422.507 0.768 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 445128517 BCVMCLRTVDTHIN-SNVBAGLBSA-N 422.371 0.776 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 445776305 USVVWOBKCTTYJV-LBPRGKRZSA-N 414.853 1.463 30 20 HCED CN(C)S(=O)(=O)N(C)CCc1noc(-c2ccc(-n3ncc(C#N)c3N)cc2)n1 460741417 FRFCFKFNKFLVIN-UHFFFAOYSA-N 416.467 0.657 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CCN1CCN(c2ccccn2)CC1 461975738 VOCUEGPNEWGWMB-UHFFFAOYSA-N 400.527 0.668 30 20 HCED CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 462945117 LXWWXQYHKMRATL-GFCCVEGCSA-N 415.416 0.973 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)cc1 468064414 GJKDKCGFRWDCDS-QGZVFWFLSA-N 413.478 0.969 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 468760693 AHVBQXBAEJLJFU-XIKOKIGWSA-N 411.480 0.434 30 20 HCED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCC1CCN(CC#N)CC1 472209009 AGBYILMUXVBQMO-KRWDZBQOSA-N 400.401 0.970 30 20 HCED COc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1[C@@]1(C)NC(=O)NC1=O 473770035 QLMQGSZXKARPRX-QGZVFWFLSA-N 401.404 0.817 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c1 476047263 FPEJIUQMMKRRMC-DLBZAZTESA-N 419.507 0.081 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)o2)c1=O 481583214 BNQXDTPIDGQRRS-UHFFFAOYSA-N 417.487 0.421 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 490049541 ODMNOGUBJLKRRG-AWEZNQCLSA-N 422.488 0.703 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C 498367375 LDSBVIZWVJZNPX-HNNXBMFYSA-N 402.499 0.249 30 20 HCED N#Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 499131228 RRRFDZVBONUBPM-UHFFFAOYSA-N 400.460 0.972 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCN1C(=O)CNC1=O 503313730 HYTLVWCNSFQFRG-UHFFFAOYSA-N 422.401 0.661 30 20 HCED CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cc2)CC1 506563816 GCHZHLWRUSOTES-UHFFFAOYSA-N 401.442 0.867 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3(OCCO)CCOCC3)C2=O)cc1 507414912 RIESTMJLMKVKLY-SFHVURJKSA-N 416.478 0.516 30 20 HCED Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510628005 KEWODKRKCYWRAS-MRXNPFEDSA-N 411.466 0.780 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C1CCN(C)CC1 517984273 ZCHBDQDBXCQSKT-UHFFFAOYSA-N 400.479 0.565 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccon3)c2=O)c1 532195736 RVQVIUOIBXTDGK-UHFFFAOYSA-N 410.455 0.594 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 532314023 YHISRMLNFVRZFT-GFCCVEGCSA-N 414.447 0.579 30 20 HCED C=CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 533388094 YCAKQPIFJOPBRQ-HNNXBMFYSA-N 407.496 0.178 30 20 HCED C=CCN(C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 539442920 JHTUYQXHVAZSSE-OAHLLOKOSA-N 406.464 0.945 30 20 HCED COCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1=O 540589694 ZIGXKNUYYHRTRU-INIZCTEOSA-N 405.524 0.248 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 550650146 XBPBLGUSXUPDHT-UHFFFAOYSA-N 424.442 0.297 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)C2)nc1 551067472 YLKRPDULPLNBOB-OAHLLOKOSA-N 404.390 0.547 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)C2)nc1 552900722 JWTSYANEVLLGIA-ZDUSSCGKSA-N 421.417 1.329 30 20 HCED C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 567528137 LJQIGDKTWBMSEZ-QGZVFWFLSA-N 421.505 0.854 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2C(=O)c3ccccc3C2=O)c1 569397035 YNOARWZAFUNDKY-UHFFFAOYSA-N 412.427 0.249 30 20 HCED CCOC(=O)c1c(NC(=O)Cn2cncc(C#N)c2=O)sc(C(=O)NC)c1C 569744249 AYGLEPVODHBRQQ-UHFFFAOYSA-N 403.420 0.660 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 571779676 CWKQPIBNNJRHPS-UHFFFAOYSA-N 415.498 0.017 30 20 HCED COC(=O)CN1CCC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 573707520 FGESKTBORUIUJU-KRWDZBQOSA-N 407.492 0.474 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)CC1 574792129 UKJLXZFVCLYFLX-UYAOXDASSA-N 414.506 0.327 30 20 HCED COCCCN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 576306589 AYUHDSBODURDTJ-KRWDZBQOSA-N 402.451 0.027 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 582815826 IVBPURPNKGPPQG-UHFFFAOYSA-N 424.509 0.562 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCOC[C@H]3CCCO3)CC2)nc1 585693131 MTIZFENJTQLIGX-GOSISDBHSA-N 415.494 0.740 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)no1 587666766 XGBVNKHRSRQRHK-OAHLLOKOSA-N 424.461 0.815 30 20 HCED Cc1nc(SCC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C 603904946 ZOXKUVSXWBEMJE-CQSZACIVSA-N 424.548 0.732 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1 609516542 QLWIVVRWGMLOKX-UHFFFAOYSA-N 408.524 0.801 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 610698609 SROWQJBUIKLFLJ-CYBMUJFWSA-N 415.479 0.999 30 20 HCED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)O1 611374835 WUMLDSSJPXPFPF-GOEBONIOSA-N 416.482 0.891 30 20 HCED C=CCOCC(=O)O[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 729763566 QQBCRXQCSLHYBV-INIZCTEOSA-N 410.492 0.962 30 20 HCED CS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 730405200 GATDRCZCURATFI-UHFFFAOYSA-N 405.885 0.688 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)NCC(F)(F)F)C2=O)cc1 733830473 OAQGTZLOTIHQAY-LBPRGKRZSA-N 412.324 0.985 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 742665364 VUAREGSBYGCJIT-LYHOESIGSA-N 402.426 0.842 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)CC1 749877304 WCJCVYKDZZQZHA-NRFANRHFSA-N 412.446 0.002 30 20 HCED COC[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C1CC1 750300724 JBWUPKOWWVHUDV-VBUUPXLYSA-N 422.507 0.979 30 20 HCED CCc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)s1 752194717 PVBDFOHTHSERHA-UHFFFAOYSA-N 406.533 0.603 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)[C@H](C#N)C1 754378499 GVJYRTQAKRYQRZ-GLKFPVFTSA-N 418.450 0.120 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 755551207 LEABIBZEUTYAQQ-GXTWGEPZSA-N 406.443 0.343 30 20 HCED CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ncnc2[nH]cnc12 757590525 POFHECZGOMCWNO-NWDGAFQWSA-N 400.443 0.664 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(Cl)c2)c1=O 758079441 JABFOSOHCMZGAV-ZDUSSCGKSA-N 415.902 0.851 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)CC1 761023817 LAQBMVJUCDUYKQ-IBGZPJMESA-N 406.552 0.628 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)n(C)c2n(C)c1=O 762299004 QKZFSCIAUZXHQA-KRWDZBQOSA-N 407.430 0.661 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](C2OCCO2)C1 763422274 AMAXTTZCYGTYRP-HNNXBMFYSA-N 410.434 0.997 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4c(c3)OCO4)c2=O)cn1 772312701 HRZVFKVJUURODM-UHFFFAOYSA-N 421.438 0.174 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 781987584 WRXWHXPWZTWPEY-UHFFFAOYSA-N 401.404 0.914 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 783544861 GPBGBAASGHRHIC-UHFFFAOYSA-N 424.591 0.816 30 20 HCED CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1 785221843 CTRGVIVCRDBOEB-CQSZACIVSA-N 419.486 0.403 30 20 HCED N#C[C@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 786571038 NKVVYRVOPORYCG-ZDUSSCGKSA-N 420.397 0.787 30 20 HCED CN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 787343406 WLWXQMNSTIWQDA-KRWDZBQOSA-N 415.494 0.842 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 789403719 NUIQHKYBHVIETK-CQSZACIVSA-N 409.402 0.545 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(Cl)cc2-n2cncn2)C1=O 795487187 OFIVCELKOXAUIY-UHFFFAOYSA-N 403.782 0.941 30 20 HCED Cc1ccc(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N(C)C 798743016 BODACJAEQCPCNB-LBPRGKRZSA-N 420.451 0.451 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 802628087 LDJUMRFYMUWQLA-UHFFFAOYSA-N 424.454 0.693 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 803753094 WIRGHSXMUDHHOM-WOJBJXKFSA-N 414.506 0.230 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCOC1(C#N)CCOCC1 809086728 XDACFNSINFAGNS-CQSZACIVSA-N 407.448 0.858 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249586 TTXHQWQRHFEZDW-UHFFFAOYSA-N 421.473 0.977 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc2nc[nH]n12 816655398 DFJXVBYMJZBNGJ-LLVKDONJSA-N 402.440 0.688 30 20 HCED C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 914897817 HHUCDHRWGVXBBV-SNVBAGLBSA-N 414.871 0.997 30 20 HCED Cn1c([C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)nc2ccccc21 915101130 OKDJQMUFJNZKRD-MGPQQGTHSA-N 400.460 0.785 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1157761129 QYWYRRVQGXYSND-HNNXBMFYSA-N 424.498 0.957 30 20 HCED N#Cc1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)Cc2ccon2)CC1 1191329778 KBRJUUNCQOWHST-QGZVFWFLSA-N 406.464 0.434 30 20 HCED N#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1 1261126845 ZAOODHDPNNOCIS-UHFFFAOYSA-N 407.496 0.726 30 20 HCED CCCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1313486330 BTWXBOJMEQGWAH-CYBMUJFWSA-N 411.532 0.545 30 20 HCED CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314674597 FACBAXRQCFBGFA-INIZCTEOSA-N 407.544 0.614 30 20 HCED Cn1cccc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1314912453 UHGQOCRJFFTZBV-LJQANCHMSA-N 418.523 0.963 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1Oc1ccccc1 1469862018 YNJCDOZTCGKZRV-GVDBMIGSSA-N 413.434 0.745 30 20 HCED COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1470360808 KDXLDMCXZALXSY-INIZCTEOSA-N 411.418 0.250 30 20 HCED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)CC1=O 1503682481 JZZHFZLEQDSCNY-LJQANCHMSA-N 423.521 0.942 30 20 HCED CCOC(=O)c1c(NC(=O)CN2CC(O)(CC#N)C2)sc(C(=O)N(C)C)c1C 1617443598 NHBOOTBMAXQIFA-UHFFFAOYSA-N 408.480 0.834 30 20 HCED CN(C[C@@H]1COCCO1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1632334776 VYWPZJWIUCXACI-QGZVFWFLSA-N 407.492 0.833 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)cn1 1696854742 RBWHPPUQRFDYFY-AWEZNQCLSA-N 405.484 0.375 30 20 HCED Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)n[nH]1 1707770969 JVYLTFLWBXRTJE-UHFFFAOYSA-N 407.438 0.334 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749267716 VKJJWWRFYVBVIZ-ZFWWWQNUSA-N 421.933 0.771 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1767798225 PMEMPBCSEFTANI-UHFFFAOYSA-N 411.466 0.248 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1767855107 WFYCZOLAPSPQLL-QGZVFWFLSA-N 410.450 0.999 30 20 HCED CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1769536545 MBTBCSASRPYKEV-RVSPLBMKSA-N 412.516 0.432 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1cscn1)CCO2 1779016216 AAQHKOGQHICPES-GWJWUGQSSA-N 405.524 0.987 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1780808331 DHTLUKBQPCBALG-FRQCXROJSA-N 406.487 0.593 30 20 HCED 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401.507 0.871 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783980848 ISBMUKJOPIUPMF-GOSISDBHSA-N 424.379 0.680 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1784504553 SDTJBCSTBDDYDH-CVYDXHPNSA-N 413.478 0.914 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1784504567 HKZCDHIGLNJPKC-LAQRGFTBSA-N 418.494 0.686 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1785379715 BPOBBZMIWNHVJG-NRFANRHFSA-N 423.429 0.576 30 20 HCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785554171 CXGNCLAVJAYZKD-AOMKIAJQSA-N 410.474 0.939 30 20 HCED Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)cn1 1786034460 GCTHGTXBEAZZHX-FWWHUCRJSA-N 419.482 0.542 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786865480 AARDAAPTYVNLJE-QAGGRKNESA-N 402.495 0.652 30 20 HCED 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0.448 30 20 HCED CC(C)(C#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822021958 KILSWNIAZLYHQJ-OAHLLOKOSA-N 406.487 0.238 30 20 HCED Cc1cn(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](C)S)n[nH]2)c(=O)nc1O 1822386535 FNDBZGRGRKPBTL-DGCLKSJQSA-N 420.495 0.991 30 20 HCED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824905084 VEGQHKIINWAVOZ-KRWDZBQOSA-N 402.495 0.961 30 20 HCED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)N1C[C@H]2C[C@H]2C1 1825666492 FMOGONPKGZDCMC-FVCCEPFGSA-N 402.476 0.483 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2)C(F)(F)F 1829961157 QEACYDKQFUCHHJ-DYVFJYSZSA-N 419.400 0.088 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1830638768 XOOXGPOMHSEXQC-FQEVSTJZSA-N 403.483 0.503 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1831395869 ADSSWQYHUFJOCX-XOBRGWDASA-N 423.416 0.468 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1831439035 ZXVOEXOAHVMMJS-SQGPQFPESA-N 406.483 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30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cnc(O)nc3O)[C@H]2c2cccnc2)CC1 1808280609 VONFHTBZNCXMCF-UKRRQHHQSA-N 408.418 0.906 30 20 HCED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1812617455 NSBJPORLMMHWQH-PKOBYXMFSA-N 414.510 0.505 30 20 HCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1813036151 QNBUZGXOXFISFG-OHNRDTAOSA-N 416.503 0.721 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1815232144 HZYGOPCRVMOFGL-YPMHNXCESA-N 410.452 0.171 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C\C(=O)NC3CC3)sc2C1 1819523715 YOXLQJDMHHJVTP-YOHTUHHASA-N 416.503 0.928 30 20 HCED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1825068871 JGIFYZZUAXEART-GJZGRUSLSA-N 403.483 0.754 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1830050345 QXXKJENTRLFCEA-IBGZPJMESA-N 410.540 0.041 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1830639363 RVPKDKNPJKUZRC-IBGZPJMESA-N 414.524 0.256 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1831391630 SUHKPAQJQXYQRP-QRWLVFNGSA-N 405.426 0.329 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C)n3)C2)C1 1831393376 KVVIOUJESOAANU-PGRDOPGGSA-N 415.490 0.807 30 20 HCED COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831484951 JUNKWZOTQRCKAQ-BEFAXECRSA-N 424.523 0.510 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1831485347 BPEDLIKPZGQWBE-APWZRJJASA-N 409.508 0.812 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1832428784 NDSPNUWJHIMNDG-IBGZPJMESA-N 420.397 0.646 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1833468307 BJAZBEUVDMRXSQ-XCLNPWKQSA-N 403.523 0.489 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834604673 IGRZFYADSDWURV-HNNXBMFYSA-N 406.531 0.569 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnoc4C4CC4)CCO3)C2)CC1 1834612801 TUUUFDVDZAZFQC-HXUWFJFHSA-N 400.435 0.926 30 20 HCED CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768038 XVOKNHOBFUHJCF-FOIQADDNSA-N 424.498 0.660 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834769524 KDWFQMNPFBQZKV-ZSUOFZKHSA-N 410.467 0.153 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1835869433 FTFGXPANRWHNPA-UHFFFAOYSA-N 402.455 0.917 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837384659 DYBOHGYZCFHBQL-UWJYYQICSA-N 422.526 0.344 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1837394624 FIOXHMGXLUTEOP-DYESRHJHSA-N 420.510 0.546 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837441110 SCYJTTUYXRZOQR-KURUZVKSSA-N 415.494 0.623 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Nc2cnccn2)CCO3)C1 1837475908 KZKIWDIPDHVHFZ-KKSFZXQISA-N 415.494 0.700 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCc3cncnc3)CC2)CC1 1837947300 DDEINAUPGZWMAZ-UHFFFAOYSA-N 414.462 0.496 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838405263 PJVKDOCOHQGHMH-NRFANRHFSA-N 407.511 0.049 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839446097 CFCMHKBWLCRLCL-BTYIYWSLSA-N 418.446 0.206 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(C(F)(F)F)n3)C2)C1 1839808834 DOWAVVOHELBQPZ-OAHLLOKOSA-N 403.382 0.865 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1)C(F)(F)F 1839891000 GPRJMJAXGBRULH-KRWDZBQOSA-N 405.417 0.657 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1)C(F)(F)F 1839891900 GMXAGWIPFVYBBQ-INIZCTEOSA-N 402.373 0.609 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3Cl)C2)C1 1840042375 RJELNLBTDXSDLL-KRWDZBQOSA-N 412.851 0.560 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840159667 JWGKBFSFZIJTSF-YJYMSZOUSA-N 409.508 0.942 30 20 HCED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812998 XQLCRPUXSSHXDN-LJQANCHMSA-N 403.439 0.329 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820180 CXQYYWXFZFBAFO-MGPUTAFESA-N 419.503 0.712 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840844773 LBJOXQXJLCINAM-IERDGZPVSA-N 400.479 0.384 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(NC(=O)OC(C)(C)C)CC1)CCO2 1840956660 KCNQVZWFRGSVIG-LJQANCHMSA-N 407.467 0.133 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841757620 UPTYJGPCPGNLQE-UHFFFAOYSA-N 403.435 0.014 30 20 HCED O=C(O)c1cnncc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301295 DRMMYBUMRHMTMH-CPHRPENTSA-N 417.422 0.521 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)C1=O 7470754 JRPJTHSCBWJUTL-UHFFFAOYSA-N 405.432 0.558 30 20 HCED N#Cc1ncn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1 14143128 WMXFQRSZPDCWFX-UHFFFAOYSA-N 410.843 0.463 30 20 HCED N/C(=N/CCNS(=O)(=O)c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 305191048 JWZOMJFDOYWEOF-UHFFFAOYSA-N 406.487 0.636 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cc(Br)cc3c2OCC3)CCO1 409499098 GZSOVHANDLUONK-CYBMUJFWSA-N 402.270 0.943 30 20 HCED Cc1cccc(N2CCN(CCCNS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409576659 ODXXDDDMPFOXLX-IBGZPJMESA-N 407.540 0.566 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CCO1 409592833 FYJNPJDVMYHUMV-QGZVFWFLSA-N 401.448 0.893 30 20 HCED COC(=O)CCN(Cc1cccc(F)c1F)S(=O)(=O)N1CCO[C@H](C#N)C1 410142684 MQRONCROUDPUAG-CYBMUJFWSA-N 403.407 0.799 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2ccccc2Br)CCO1 410398856 SGGJFCMGHJTYQB-JSGCOSHPSA-N 418.313 0.659 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 428270334 NABKEQIJCNBEII-UHFFFAOYSA-N 409.475 0.985 30 20 HCED NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccccc3C#Cc3ccccc3)C2)nn1 442465617 DAFCJCPHECDROU-UHFFFAOYSA-N 414.425 0.799 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cnn1-c1cccc(C#N)c1 443680171 IQLGZASCERAFEJ-QAPCUYQASA-N 424.461 0.784 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 444550999 PULOAAUXJJOGIX-GJZGRUSLSA-N 408.524 0.529 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H](C)c1cccc(-n2cnnn2)c1 444571560 PCZTZQPUZISMMD-OAHLLOKOSA-N 419.449 1.487 30 20 HCED CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1O 447794108 CHXSZNQDQITVGF-QGZVFWFLSA-N 406.508 0.094 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H](CO)[C@@H]2CCCO2)CC1 447914346 OZGWZCBCLFVRDT-CVEARBPZSA-N 415.450 0.584 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H](CO)[C@H]2CCCO2)CC1 447914352 OZGWZCBCLFVRDT-JKSUJKDBSA-N 415.450 0.584 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COCC(=O)NCc1cccnc1 465122732 PZQKZFLKQCGOIE-HNNXBMFYSA-N 409.450 0.113 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ncnn1CC(F)F 470577433 WSFKOFWEDZSYBB-LLVKDONJSA-N 412.422 0.740 30 20 HCED C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 474790633 CZSAKLBLOSZVAQ-IYBDPMFKSA-N 404.533 0.260 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(F)(F)F)CC1 479890056 UHMMDKHDNUKRGY-GFCCVEGCSA-N 404.414 0.932 30 20 HCED CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481211967 TZEZUPHELROTAM-XJKSGUPXSA-N 424.548 0.899 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481506773 JWCUUFYCSOGWRQ-HNNXBMFYSA-N 406.508 0.942 30 20 HCED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 486123981 SOBMKJVQUPIMPT-SFHVURJKSA-N 417.491 0.821 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccco3)c2=O)CC1 488993656 CSNCRAWPLPDTCU-AWEZNQCLSA-N 413.499 0.878 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)C2=O)cc1 489232483 DXWLIQPDEGSYAM-HNNXBMFYSA-N 403.402 0.231 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)cc1 493916069 GOCBBZFTEOGGFP-OAHLLOKOSA-N 408.480 0.081 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H](O)CN3CCOCC3)C2)n1 497022536 WRGYXXBFXNZMRN-RBUKOAKNSA-N 401.511 0.630 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)CC2 499016063 JYJUPXUWHUPQGZ-UHFFFAOYSA-N 416.235 0.938 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 501578561 HGLWJFFXRVIGQR-ZDUSSCGKSA-N 422.536 0.758 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508729420 FJYVRHSYEVMCDL-UHFFFAOYSA-N 410.482 0.521 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NCc2cccc(C#N)c2)C1 523606527 ZSNGHAIAYMHGBL-SFHVURJKSA-N 400.479 0.908 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3[nH]c4ccc(C(=O)OC)cc4c3C2)C1=O 525871568 IECXIVUZLWSVNT-UHFFFAOYSA-N 424.413 0.816 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1CCC#N 535057548 FWCYWSUBILZHHY-UHFFFAOYSA-N 412.410 0.696 30 20 HCED Cc1cc(NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)nn1CCC#N 538614857 LKWSKACILBMBPL-UHFFFAOYSA-N 409.450 0.999 30 20 HCED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 546075104 PQNWMIQBMNLSQV-UHFFFAOYSA-N 415.471 0.695 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 555722198 FSXWSQDFXTWCET-UHFFFAOYSA-N 409.508 0.748 30 20 HCED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 557609319 DYUKVFCDTXGTJM-UHFFFAOYSA-N 413.482 0.816 30 20 HCED CC(C)N(C)C(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 558485976 GQGMQYVTOSZRNT-UHFFFAOYSA-N 406.508 0.942 30 20 HCED C[C@H](c1ccccc1)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(N)=O 563308682 WZSDINJBWQFQPR-KUHUBIRLSA-N 414.487 0.953 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566768424 IQKQQIRXTIJZLI-HNNXBMFYSA-N 409.464 0.407 30 20 HCED CN(CCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)CC(F)(F)F 576048884 YKMNMGGMAGSBBY-UHFFFAOYSA-N 412.416 0.602 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 578276770 AJXJQGATRLIPOG-UHFFFAOYSA-N 401.435 0.880 30 20 HCED CC(C)[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)N1CCCC1 589406244 FBFVMJDCPHYJNO-KRWDZBQOSA-N 409.450 0.841 30 20 HCED C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603783241 ZECLWQGXUWNZAZ-RDJZCZTQSA-N 406.508 0.548 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 604517973 LHVDYUSZEIGPKM-LBPRGKRZSA-N 422.488 0.361 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 609201946 FQXXDJUIAXWCRO-UHFFFAOYSA-N 415.475 0.962 30 20 HCED N#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 609338507 PTCPZQKBNNHHRS-UHFFFAOYSA-N 407.496 0.817 30 20 HCED COc1cccc(Cl)c1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 609822552 HZIKPSVJRMOSTA-UHFFFAOYSA-N 419.890 0.471 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 672579714 YWXDYILDVBBCKJ-UHFFFAOYSA-N 403.479 0.869 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726671157 PQARSWKVHQBBHE-GOSISDBHSA-N 409.464 0.593 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727011129 YXPVNOKMQQAUJJ-AWEZNQCLSA-N 416.434 0.520 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CCOC 731203661 OUHYJKYOOLJNCF-UHFFFAOYSA-N 415.515 0.439 30 20 HCED N#C[C@@H](C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 732910747 TWOROOXYSIYXKV-ZDUSSCGKSA-N 417.403 0.360 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 740518657 IKIHAUFGOSXBJO-UHFFFAOYSA-N 408.505 0.578 30 20 HCED COC(=O)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(O)cc1 742251362 SSIGSRIQLSCEQS-JGWKNBOWSA-N 401.419 0.757 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 743992365 IBBBENUESZUTFF-MLGOLLRUSA-N 413.409 0.820 30 20 HCED C[C@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743997214 ZLNVVPHQGGLVJP-IQQDNESTSA-N 410.496 0.573 30 20 HCED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 744410465 IRVUEBKDNKLMNY-UHFFFAOYSA-N 413.543 0.967 30 20 HCED O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)NCc1ccc(C(=O)NO)cc1 746268075 HAEYMEGRBUCOJR-UHFFFAOYSA-N 408.414 0.494 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 746791920 YWPOTBKRSBLHCY-UHFFFAOYSA-N 421.417 0.172 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC3(CS(C)(=O)=O)CC3)CC2)o1 747060781 LMEWEWUOZKIPTI-UHFFFAOYSA-N 424.479 0.261 30 20 HCED C#CCNC(=O)C1CCN(CN2C(=O)C(=O)N(c3ccccc3OCC)C2=O)CC1 747796398 PFAVBVJRCBWAPC-UHFFFAOYSA-N 412.446 0.799 30 20 HCED Cn1c(S)nc2cc(C(=O)N(CCC#N)CCN3CCOCC3)ccc2c1=O 749378878 GOQQKENWOPCWBD-UHFFFAOYSA-N 401.492 0.910 30 20 HCED C#CCN1CCN(C(=O)COc2ccc(C(=O)NCCN(CC)CC)cc2)CC1 749873252 DOGOIDUKIYLEJH-UHFFFAOYSA-N 400.523 0.914 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 752163533 ZUEIQSHUQKHKPR-SUMWQHHRSA-N 403.435 0.918 30 20 HCED COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(C#N)cc1 756748535 NLPRBQAVNCJMCV-NHYWBVRUSA-N 406.420 0.416 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 758478073 LAQREFNNQVKKCW-PUSDIMDNSA-N 418.454 0.571 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 758638642 CASJGMMAIMUHQC-SWLSCSKDSA-N 419.467 0.700 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cn(CCC#N)c3ccccc23)c(=O)n(C)c1=O 771890770 HTQGGENBSJXGGP-UHFFFAOYSA-N 414.447 0.265 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)CC1 773290118 MAXCXEGLRUVRKS-UHFFFAOYSA-N 419.594 0.560 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1)/N=C1/NS(=O)(=O)c2ccccc21 774832153 JNCZFDPMAOHTIK-IPYPFGDCSA-N 422.507 0.256 30 20 HCED Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 776138754 NCGVXORTGNXBJF-MGPWXQLLSA-N 420.491 0.983 30 20 HCED Cc1cc(C)n(-c2nnc(SCC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)n2N)n1 779753851 GKBISWPSXUBKHU-HNNXBMFYSA-N 417.543 0.579 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 783479306 BYFXOYDKSCLTRV-MRXNPFEDSA-N 405.476 0.869 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785162067 ZGYSCTXGAGVWOH-PGMHBOJBSA-N 406.464 0.204 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1)[C@H]1CCCO1 787497861 AXHNYRPCYIHFNT-NHCUHLMSSA-N 412.534 0.737 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 787739902 VDSKOGHSAAADGC-SFHVURJKSA-N 420.473 0.961 30 20 HCED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 788359391 OJGBLEUZPRXZKN-BPUTZDHNSA-N 406.460 0.773 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(O)nc1=O 790869047 PCFHFLWPGHLNGK-UHFFFAOYSA-N 402.310 0.495 30 20 HCED C#CCC[C@H](O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 799072219 DUCAXLZEHXBQIV-LSDHHAIUSA-N 406.460 0.514 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)C(C)C 799272139 AGJZLWCINBUUHS-GOSISDBHSA-N 400.479 0.694 30 20 HCED C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 802723796 RBBUMUYZCRGNLE-UHFFFAOYSA-N 412.515 0.894 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 807303237 FVWJUOBVLLVBFJ-ZDUSSCGKSA-N 421.397 0.576 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1C#N 808226963 ADODOVOFDWHEMG-CYBMUJFWSA-N 412.368 0.853 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)nc1 915777604 KBYZMDIKACPXDM-UHFFFAOYSA-N 422.445 0.592 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCN2CCOCC2)cc1 916714661 HJSWSBCRXMZRTI-HEHNFIMWSA-N 409.512 0.953 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NC)CC2)cc1 919665808 FLVNQMSJBMPXCV-INIZCTEOSA-N 421.475 0.719 30 20 HCED C[C@H](CC(=O)NC[C@H]1CCCN(C(N)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1261123529 HXRYOJMGWWGVCZ-CHWSQXEVSA-N 407.496 0.411 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1319383675 OYBPPFKUDRJXGP-HIFRSBDPSA-N 402.480 0.354 30 20 HCED COC(=O)C1CCN(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1322096409 CUVFICNFNNVBQF-INIZCTEOSA-N 413.430 0.866 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1323407525 PKHGHCLTNSDASN-PFFGMESJSA-N 406.464 0.688 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C[C@H]2CCS(=O)(=O)C2)cc1OC 1342605132 KHJWODOACXOKLP-CABCVRRESA-N 408.476 0.896 30 20 HCED CN(CCS(N)(=O)=O)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1464423957 VJKOCYARXUIYCD-UHFFFAOYSA-N 400.251 0.369 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(O)nn1 1468301315 XLSWPFUTOOUQOT-AWEZNQCLSA-N 403.464 0.952 30 20 HCED COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1504276623 WBYPLCBWYUTKNM-NVXWUHKLSA-N 417.491 0.966 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)C1 1505137648 LCEFJJRVCZWUDO-ZBFHGGJFSA-N 417.495 0.350 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1510116928 SUSZTHOWQIMJER-IFXJQAMLSA-N 419.507 0.837 30 20 HCED CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1552694955 YGNUTVTUPIJERD-DYVFJYSZSA-N 412.491 0.491 30 20 HCED CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1728364446 OHRAJIQQSQEVRZ-ILXRZTDVSA-N 413.548 0.347 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1760804037 VXNIVUOENJYDNP-STQMWFEESA-N 410.500 0.171 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1766430029 XKTZAELWSQQKFI-KRWDZBQOSA-N 413.482 0.823 30 20 HCED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1778117342 UQURHRKHITWFON-DYESRHJHSA-N 415.494 0.786 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778153416 MAUJVRLCFRQFJO-HXUWFJFHSA-N 409.483 0.641 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098255 DVIHTYSGVGMSJH-RUCZPBRESA-N 424.498 0.260 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779100038 RDSRJMXSDBUDPM-NTUGGBQKSA-N 419.482 0.550 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1779213673 NQZSISYLTGUNCH-VGSWGCGISA-N 422.489 0.858 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779221519 STCQLNKHYQQUEQ-JXFKEZNVSA-N 419.482 0.254 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780360417 BYKIJVKNUPJVPT-MEDUHNTESA-N 417.388 0.858 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cncn2C)CCO3)c(C#N)c1 1781174661 RLHAKZHIGHLYDC-QFIPXVFZSA-N 423.473 0.987 30 20 HCED C[C@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1781241946 NQFMXLILMPLCPU-MGPUTAFESA-N 403.866 0.656 30 20 HCED CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)CCOC1 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COCCCN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@@H]1CCS(=O)(=O)C1 433657438 BMPAEVVWOPFMAN-MRXNPFEDSA-N 405.476 0.500 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H]2C[C@H](N(C)C)CC[C@@H]21 437592748 SKGBFACFTIQDEW-QNDJGXFYSA-N 420.535 0.935 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 439561197 HJFFDZFOQAIXRR-LBPRGKRZSA-N 412.443 0.594 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 442510767 NSTPJLZQBDMUNL-JSGCOSHPSA-N 417.853 1.334 30 20 HCED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 443260228 BYUKDOJKQFRRGI-ACJLOTCBSA-N 411.462 0.849 30 20 HCED N#Cc1ccc(C2(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)cc1 444041275 YRVPRDAZNHCDGY-UHFFFAOYSA-N 418.519 0.747 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 444053208 BHKTXUOHFFQTSL-CYBMUJFWSA-N 422.550 0.301 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2Cl)C(N)=O)n1 444570537 NSSZZCWEUMFESI-CYBMUJFWSA-N 402.842 0.849 30 20 HCED COCC[C@H](C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 463689324 ISOFDWAIZCTLCO-AWEZNQCLSA-N 401.510 0.619 30 20 HCED CCCn1c(CCC(=O)N2CCOC[C@H]2C#N)nc2cc(S(N)(=O)=O)ccc21 464797980 ZIARIGTWOSDDMT-CYBMUJFWSA-N 405.480 0.777 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 465182649 GNZBQFCTOCHKJF-PMPSAXMXSA-N 410.478 0.951 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)cn1C 468635164 MNQYTMCBPJZIOT-YJBOKZPZSA-N 409.512 0.851 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)c(OC)c1OC 476240726 VYDWTRMGFHOLLM-UHFFFAOYSA-N 413.434 0.916 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 476748907 UEGWYSJBALMFEE-ZBEGNZNMSA-N 404.423 0.972 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C 477031741 PTWZXLPWAHTKAQ-UHFFFAOYSA-N 407.517 0.563 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 480976310 YZSIOKYAFUISJY-GFCCVEGCSA-N 400.482 0.481 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OC 481775039 DDVFZPYRDOWQJF-WMLDXEAASA-N 416.430 0.936 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC(N)=O)Cc1ccccc1 482154087 SRKFVDIWKZBXAV-AWEZNQCLSA-N 400.460 0.739 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487162997 SQSSNVWCILVTEM-SJORKVTESA-N 419.507 0.382 30 20 HCED CC(C)CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 494777901 FCHPBSPRAJFQSZ-HNNXBMFYSA-N 406.508 0.894 30 20 HCED CS(=O)(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 501449873 OEBSJUWJWBWWBP-SNVBAGLBSA-N 416.253 0.542 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCN1C(=O)CNC1=O 503254784 JQJFFVLWYCSUAQ-UHFFFAOYSA-N 408.374 0.352 30 20 HCED Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C(N)=O 503760976 FGSNMICOBXWGFS-OAHLLOKOSA-N 401.448 0.470 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 506890286 LAYYSUCTWCUBIW-UHFFFAOYSA-N 424.442 0.991 30 20 HCED Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 507110626 NXDJEHXJCFUPTC-UHFFFAOYSA-N 409.494 0.701 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)n1 508607239 ZFHBHCKPZJLQRS-LBPRGKRZSA-N 416.404 0.828 30 20 HCED C=CCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508847789 WJDBUGHWQJWLIV-UHFFFAOYSA-N 408.484 0.790 30 20 HCED Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)NCC#N 508942985 VBWQYPPZVDUMKU-QGZVFWFLSA-N 423.477 0.333 30 20 HCED C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(N)=O)C1 508947010 VOVONWBITADMSY-MRXNPFEDSA-N 423.477 0.942 30 20 HCED O=C(NCC#CCO)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 510060950 WWUXCUOAMYKJBY-CYBMUJFWSA-N 415.309 0.962 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCSC)c1=O 512719756 FTAKFRKNANTOCV-UHFFFAOYSA-N 403.533 0.271 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCSC 512724955 IIYDVRRGPFBVER-UHFFFAOYSA-N 419.576 0.909 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 515943775 VUJQQWHLAVFTDP-UHFFFAOYSA-N 406.446 0.909 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 519655511 DVSFFBSLKOIWLK-KRWDZBQOSA-N 406.527 0.431 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCc1ccccn1 523856295 KIMYQMKOHVQOHI-UHFFFAOYSA-N 406.467 0.946 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccc3)n2)CC1 532087379 KHZKOXPPXONZOF-UHFFFAOYSA-N 410.478 0.316 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)c1C 534198744 ZVNWUGTUHRIGPZ-KRWDZBQOSA-N 407.434 0.883 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 551542985 OPRGXSXAICMLJR-UHFFFAOYSA-N 423.429 0.792 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 553712962 YZAGVIBXEDZKKC-IAGOWNOFSA-N 417.485 0.619 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1 556527423 PHRMKMRGMQCLDV-CYBMUJFWSA-N 410.438 0.601 30 20 HCED C[C@H](CCN(C)C)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 557015798 PRDSVHKGQLQQMH-CQSZACIVSA-N 414.466 0.911 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 558872889 QNGCCQQFNBJPBF-MRXNPFEDSA-N 401.510 0.765 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1nnc2n1CCC2 559555499 KCMFAJLFLFYQEF-RDJZCZTQSA-N 407.478 0.638 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3nc(CC)ns3)CC2)CC1 561450231 AJGHHRJFEIMFLV-UHFFFAOYSA-N 406.556 0.906 30 20 HCED CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)S1(=O)=O 561775291 AWKCDCVTSJAHHZ-HIFRSBDPSA-N 413.521 0.916 30 20 HCED CN1CCC(CN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 565267392 NIHMACVXBKHIKF-IBGZPJMESA-N 411.506 0.970 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 574246024 AXFRZCXDDLCFOG-UHFFFAOYSA-N 423.473 0.893 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccnn1C 589211868 HQVDUDSWFVVJCG-QGZVFWFLSA-N 409.494 0.891 30 20 HCED COCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 609414296 AEXMODKNIAZOIE-INIZCTEOSA-N 414.505 0.135 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 610135607 GERMDGBRLPRAOM-MRXNPFEDSA-N 408.524 0.714 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC[C@@H]3CCCO3)CC2)cc1 610756496 FSMJMIHNYPICBQ-INIZCTEOSA-N 413.521 0.763 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 611365158 NEKDOXRJNPCCFF-UHFFFAOYSA-N 403.508 0.863 30 20 HCED CN(C)C(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1Cl 615629930 XRCYRAHPVUKVCL-SFHVURJKSA-N 423.832 0.561 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CCC)CC2)c1 731126028 PTNNCOAJMYXMBW-UHFFFAOYSA-N 407.492 0.958 30 20 HCED CCc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910640 RLMBHHQRNSXQSG-RDJZCZTQSA-N 417.487 0.568 30 20 HCED C#CCSCCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 739825070 QGNHONQMTGDCNJ-UHFFFAOYSA-N 409.533 0.636 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741373385 KGUMCPCMDRBJKZ-CQSZACIVSA-N 410.471 0.617 30 20 HCED C[S@](=O)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 746608121 CMJGUBPBHKUTAZ-HAWMADMCSA-N 405.501 0.961 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3ccc(C)nc23)CC1 754036111 IQYBOJUXZBDRRX-UHFFFAOYSA-N 400.504 0.989 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CS[C@H]3CCS(=O)(=O)C3)C2=O)cc1 754706289 FVQRAZKRUJSAIL-HOTGVXAUSA-N 407.517 0.696 30 20 HCED C#CCOCCC(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 756305703 YBPGSYSTOXBGIL-HNNXBMFYSA-N 424.475 0.618 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 761035691 CAAFFIWARDKSGC-KRWDZBQOSA-N 410.927 0.921 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCc3sccc3[C@@H]2CC)CC1 761036347 DJEPAABOHWJWDK-INIZCTEOSA-N 410.565 0.669 30 20 HCED C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 762658742 PUQVHRRZELXJRN-ZDUSSCGKSA-N 413.521 0.398 30 20 HCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccn(C)c2)c1=O 763438244 VLOJXQJPAGVWDJ-UHFFFAOYSA-N 412.471 0.307 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(COC)o2)c1=O 765145303 OQVRDSOFGQYGNX-UHFFFAOYSA-N 417.487 0.421 30 20 HCED N#C[C@@H](C(=O)C[C@H]1COC(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766261289 KHIGOLMNLGMELE-CJNGLKHVSA-N 400.391 0.905 30 20 HCED N#Cc1ncn(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c1C#N 766369593 RCLQIYUHJGDNML-UUASQNMZSA-N 407.415 0.874 30 20 HCED CC(C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CCCC1 771790102 FRCNCTFIOSKIRQ-UHFFFAOYSA-N 406.508 0.926 30 20 HCED CCOC(=O)CON=C(C(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)c1cc[nH]n1 772146644 VHHJVYBTGFRHOR-MRXNPFEDSA-N 414.418 0.820 30 20 HCED N#CCOc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 780832634 UHGSWMLCAVKDBB-SFHVURJKSA-N 422.507 0.925 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCN2CCNC(=O)C2)C1=O 781102613 HWHXTDALULFRJN-HNNXBMFYSA-N 403.508 0.494 30 20 HCED Cc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(=O)n1C 785395945 ZJGOOEHMMKARDB-LBPRGKRZSA-N 402.476 0.827 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@H]1CO 786012630 WMPHCUOEUAVKME-PJBPHQFTSA-N 422.507 0.667 30 20 HCED CCOC(=O)[C@]1(C(C)C)CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787759498 OISQSFHOUZIGTJ-HXUWFJFHSA-N 401.467 0.919 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 787778187 PGRQUURTVZFKMT-INIZCTEOSA-N 400.483 0.052 30 20 HCED C#CCn1ccc(CN(CC)C(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)n1 788820636 IDZHZLSKSZQGQT-UHFFFAOYSA-N 417.447 0.120 30 20 HCED Cc1cc(F)cc(-n2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)nn2)c1 789425064 IZJAZABEJFFSOB-AWEZNQCLSA-N 405.411 0.294 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C(=O)c3cc(F)ccc3S2(=O)=O)CC1 799913578 NBPFWBSEOLEIKW-OAHLLOKOSA-N 408.455 0.663 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c(F)c1 802554917 BDEQTYMJODIVJC-UHFFFAOYSA-N 413.446 0.510 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 820844263 CPCODOKWKOLWAL-AWEZNQCLSA-N 423.491 0.387 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccccn2)c1=O 916664512 BRJTUYUOCCCUJS-UHFFFAOYSA-N 407.455 0.488 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 967236096 QBOZBKZRTHKCLN-MIDILNBFSA-N 415.534 0.746 30 20 HCED N#Cc1cnc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)c(F)c1 1051479671 GALTWLYOPSIZCA-CFDVNRPPSA-N 409.425 0.653 30 20 HCED COCCNS(=O)(=O)c1ccc(C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1251140990 IWDRELPOQFWZKD-UHFFFAOYSA-N 409.489 0.850 30 20 HCED CS(=O)(=O)N1CCCc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc21 1251774987 INZSIPGFZVKVMY-HTXNQAPBSA-N 418.475 0.655 30 20 HCED CC(=O)N1CCC(NC(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1253403028 CINKSRGJRKBOHC-UHFFFAOYSA-N 400.483 0.673 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1288525889 RFVGAVUHPGKZNX-KBXCAEBGSA-N 404.496 0.552 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)CC1 1303011350 IGAGIIRBOPGAID-MRXNPFEDSA-N 418.527 0.992 30 20 HCED CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1313857294 LRYIVQNDYNEZGX-RDTXWAMCSA-N 418.527 0.970 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(OCC(N)=O)CC2)CC1 1319945286 MSZKNQJNRUROPQ-IBGZPJMESA-N 417.485 0.501 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 1321366870 OEPOBXQJBVJWBL-UHFFFAOYSA-N 411.484 0.819 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@](O)(CC#N)C1 1460297395 LYZQJYOKOHVNDL-BEFAXECRSA-N 422.507 0.385 30 20 HCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1517414043 PXZCNQWNEKWHAI-VGOFRKELSA-N 423.521 0.975 30 20 HCED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1546528251 IIJGSISJPNDEQD-MRXNPFEDSA-N 415.523 0.868 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@](O)(CC#N)C3)c2)CC1 1562326935 HEAMKZPMCKNJDC-LJQANCHMSA-N 421.523 0.895 30 20 HCED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 1584887561 PDMUWWJKFJNDFQ-UHFFFAOYSA-N 410.438 0.025 30 20 HCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1=O 1665559163 PBUUWNCUFUFYAL-AWEZNQCLSA-N 414.915 0.669 30 20 HCED N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1698489325 ZPMDYRBFDBIRTO-DOTOQJQBSA-N 412.475 0.980 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1 1741945599 UKSNMGAXMHNSHT-ZBFHGGJFSA-N 420.495 0.696 30 20 HCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)CCO1 1750389070 VVTHOYCRNDWIRH-UGSOOPFHSA-N 418.479 0.150 30 20 HCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)NC)CCOC1 1767474851 XVSCRODPAGSDRS-OXJNMPFZSA-N 417.514 0.243 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779284216 PDRUXZILOQUIRA-OPAMFIHVSA-N 410.474 0.887 30 20 HCED CCc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n(C)n1 1779623754 NDZCDVLUPPSSNM-NRFANRHFSA-N 416.526 0.708 30 20 HCED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)nn1 1779897544 JMLHXMFMCXZAIH-TTYLXTBDSA-N 416.482 0.400 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334735 HABNZXSATIRLMY-VBKZILBWSA-N 401.467 0.635 30 20 HCED 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N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CCn4ccnn4)CC3)CC2)CC1 1837792662 XYYZMNLRHBOXQH-UHFFFAOYSA-N 400.483 0.971 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838345770 FEJWTATYLTUIQS-FOIQADDNSA-N 420.466 0.146 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838950144 FGNPCWROGAMBOU-FQEVSTJZSA-N 410.434 0.071 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)cc1 1839237388 GRUWWAUQEJGDNV-OAQYLSRUSA-N 424.461 0.114 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839530810 JQKHNDMSJZWPQZ-XLIONFOSSA-N 422.551 0.854 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839889366 QXHLLMUBLBUVAO-SFHVURJKSA-N 411.405 0.601 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(C)=O)CCO2)C1 1840130367 OUEWMAUSRWRILY-WJPUGNRLSA-N 410.511 0.631 30 20 HCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840157004 BALGGCVYRCBUKJ-KSSFIOAISA-N 401.529 0.068 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1840167072 VFMJYWGAZQSNSZ-FQEVSTJZSA-N 404.467 0.614 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1840171138 QVCBNMUHLWUVLC-RXVVDRJESA-N 407.511 0.551 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])c(OC)c1)CCO2 1840759222 WOEDMSLRWNHZDW-LJQANCHMSA-N 403.391 0.307 30 20 HCED O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730914 WRTAMRJEUXGAPK-UHFFFAOYSA-N 413.437 0.958 30 20 HCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842808373 AMJOGKOZJTYWMY-CQSZACIVSA-N 406.483 0.769 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c1Cl 1844734433 AQSJLMJRRZJEHF-UHFFFAOYSA-N 415.837 0.580 30 20 HCED C=CCNC(=O)COC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 11625091 DYWOVCUENFKHHX-UHFFFAOYSA-N 423.491 0.145 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 27672926 AAGXNBFQWYIRJF-UHFFFAOYSA-N 408.461 0.778 30 20 HCED Cc1nc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)sc1SCC#N 44789080 HHQDUWGQHPHIEM-UHFFFAOYSA-N 405.465 0.453 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)NCCNc2ncccc2C#N)CC1 47114565 FONBDYZEKYEQEB-UHFFFAOYSA-N 401.515 0.951 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCN(C)S(=O)(=O)c2cccs2)CC1 305170121 DZMIBLNBZUPUII-UHFFFAOYSA-N 417.557 0.894 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n(C)c1=O 436345377 YSGKXXIROPAZNJ-CVEARBPZSA-N 406.446 0.732 30 20 HCED CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 439605771 BMKVBYWQPNSDSW-UHFFFAOYSA-N 404.471 0.469 30 20 HCED C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 442039661 CCGPYTBGQRIPIN-YBOJIHHZSA-N 407.883 1.561 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccnc2C)CC1 443126621 HGCWOVXACDUCRO-UHFFFAOYSA-N 424.461 0.969 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 443269338 XJJSRYNYWRXLHE-UHFFFAOYSA-N 423.516 0.958 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 446880233 ZHMDXUZRWZYNRQ-UHFFFAOYSA-N 421.523 0.713 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 462024048 BKCKWKVNOCEAAG-AWEZNQCLSA-N 403.468 0.993 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 465340081 CKMHBLOPXGWNPA-LLVKDONJSA-N 401.872 0.990 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1)n1cnc(C#N)n1 466343259 IULJSKBQONNFDF-LBPRGKRZSA-N 404.452 0.807 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 473570321 NYZQKQIXVHAESE-QGZVFWFLSA-N 406.508 0.837 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CCOC)CC1 475418541 CECIDTMEQUHQCG-UHFFFAOYSA-N 418.450 0.229 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(N)=O)c1 480440533 PLDXMGKOBPGVAW-LBPRGKRZSA-N 402.432 0.728 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 481436650 NSSPPJSVMPCVGW-SWLSCSKDSA-N 411.505 0.403 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)C1=O 483967848 YEHKWWBFCDYBLI-HLLBOEOZSA-N 401.419 0.704 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(C)C2=O)cc1 484055013 HGTJSRMITCLXMQ-HNNXBMFYSA-N 408.480 0.169 30 20 HCED COCCC(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 489065143 CSTILNJRYGKRJZ-CQSZACIVSA-N 422.507 0.369 30 20 HCED N#Cc1ccc(Br)c(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 492532538 HMXMXPFSXBRYBL-HOTGVXAUSA-N 414.325 0.596 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cscn2)c1=O 497576726 QBMVGJZLWDVGGC-UHFFFAOYSA-N 404.517 0.575 30 20 HCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(CCC#N)CCN1CCOCC1 498180387 COMGISBFXNCULH-AWEZNQCLSA-N 413.500 0.033 30 20 HCED COCCN1C[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)CC1=O 498720768 SGZBPRGLCWTZOP-IEBWSBKVSA-N 400.479 0.899 30 20 HCED C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508908175 QZEDYXSWFOSSFO-INIZCTEOSA-N 410.478 0.405 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 509255230 MXOIOKGERWTFBJ-HNNXBMFYSA-N 421.479 0.278 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)C2)n1 510150575 WTSUFODXHDJDJY-DOTOQJQBSA-N 405.524 0.876 30 20 HCED CNC(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 511793321 MTRABXVVYFQBCY-ZDUSSCGKSA-N 418.454 0.805 30 20 HCED C=C(CNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 512673835 TWOMOVHDCISNMV-UHFFFAOYSA-N 407.540 0.519 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 518689737 NETMSZVUDGAIDZ-UHFFFAOYSA-N 422.488 0.957 30 20 HCED CS(=O)(=O)N[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 522629845 JFTMGZRQVYOGNN-GJZGRUSLSA-N 409.487 0.999 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 532313374 NVZPXLADUHWPFQ-AWEZNQCLSA-N 417.433 0.605 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 538102078 GVUFGOYKAVYCRF-UHFFFAOYSA-N 418.454 0.192 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1 538103291 VILSYBGKKKPFGK-HNNXBMFYSA-N 415.498 0.429 30 20 HCED Cn1c(=O)c2ccn(CC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)c2n(C)c1=O 542989493 QKSXNRCGEUTIOA-UHFFFAOYSA-N 421.392 0.874 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 551000920 VNZVBOUPCZMFPD-UYAOXDASSA-N 415.538 0.937 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)Cc2cccc(F)c2)c1 555004206 RBDOUFJNIRVTAU-UHFFFAOYSA-N 418.450 0.451 30 20 HCED CCc1nnc(O)c(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1CC 555058209 CXKAZXDLVLFUFJ-UHFFFAOYSA-N 403.464 0.773 30 20 HCED CN1CCN(c2ccc(CNC(=O)C(=O)N3CCc4ccc(C#N)cc43)cn2)CC1 555799406 OHACKEDOGMRQGY-UHFFFAOYSA-N 404.474 0.911 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 558173288 LTMSZFJYRONENP-UHFFFAOYSA-N 402.495 0.536 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cccc(C(N)=O)c3)C2=O)cc1 559821379 FOKJAQVNYWMQCA-SFHVURJKSA-N 419.441 0.191 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)Cc2ccc(C)cc2C)CC1 561342653 SBKWJHSJZJSGQJ-GOSISDBHSA-N 400.523 0.797 30 20 HCED CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 575032585 SBBNLJDIDRATEB-STQMWFEESA-N 416.463 0.549 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 578180130 RAXZOCIYCVZDKR-CQSZACIVSA-N 401.442 0.791 30 20 HCED N#Cc1cncn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1=O 578581193 IOSURKKDNJQNNL-UHFFFAOYSA-N 415.475 0.606 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)CC1 581361790 RXDUYIDJXROUJS-AZUAARDMSA-N 405.587 0.628 30 20 HCED CSc1nnc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 584865815 IDNXHPSWPHLSIZ-UHFFFAOYSA-N 403.493 0.492 30 20 HCED CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585774350 JCWWFHYXXSEIMV-AWEZNQCLSA-N 402.499 0.919 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1cccc(C#N)c1 587721298 XFLAHFQCUYRKIG-INIZCTEOSA-N 411.506 0.748 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)C2=O)cc1 588865173 XRQGIJKDZOMVTJ-FGTMMUONSA-N 423.473 0.439 30 20 HCED CCCCNC(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 604531266 WADZZIBFVBZWHW-MRXNPFEDSA-N 424.548 0.997 30 20 HCED Cc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N 608869311 XWOSWLXSRHHISV-UHFFFAOYSA-N 414.491 0.986 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 609548132 MUARZATYMUPMLU-SFHVURJKSA-N 403.458 0.567 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 610574392 PRWUNLAVRLIBEM-UHFFFAOYSA-N 410.499 0.302 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cn2)c1 615391494 NHQBNXZPSPZZAG-OAHLLOKOSA-N 420.385 0.447 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 729256941 NPWLEXMSIZDHTL-OAQYLSRUSA-N 424.545 0.751 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccccc2)c2nccs2)CC1 731031970 PQOMEAAEMCFNAE-HXUWFJFHSA-N 411.531 0.716 30 20 HCED COC(=O)CCOc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731851383 UHJODIGOBOGHAS-ZCXUNETKSA-N 423.447 0.433 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 733804413 CUJBSFFSCQGTOQ-JKSUJKDBSA-N 422.507 0.860 30 20 HCED COc1cc(OC)cc([C@H](O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 735692306 JFAAFAQAOXLEJQ-MRXNPFEDSA-N 419.459 0.592 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCCOCC 743729099 WQLXHOWNMXELJM-UHFFFAOYSA-N 418.544 0.907 30 20 HCED C#CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 743969901 KNWADPZXRHVRIT-UHFFFAOYSA-N 409.464 0.184 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2cnnc2C1 746601158 KLMZWIZGYRVTNY-AWEZNQCLSA-N 402.480 0.918 30 20 HCED C[C@@](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C(N)=O)c1cccc(Cl)c1 749511282 RAMJEPNHAZMDBJ-SFHVURJKSA-N 420.878 0.895 30 20 HCED C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)OCC 755565123 CDNSASVTCQJNAM-GJZGRUSLSA-N 408.542 0.019 30 20 HCED O=C(C[C@@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccco1 763005649 HKZDGWQLRQKAGM-CYBMUJFWSA-N 417.443 0.819 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 764025555 MJVMLVLQRDDRBX-SJCJKPOMSA-N 414.484 0.539 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 769215529 AGUNJGWDPRADPK-UHFFFAOYSA-N 418.387 0.927 30 20 HCED CCCN(C)S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 770624501 XYWLZSCCIUJESU-LLVKDONJSA-N 402.498 0.207 30 20 HCED C[C@H](CC(=O)N1CCO[C@@H](c2ncon2)C1)/N=C1/NS(=O)(=O)c2ccccc21 771466222 WRKPJEDXXMOZGL-DGCLKSJQSA-N 405.436 0.487 30 20 HCED Cc1cc(C)c2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCCO2 771893334 ZORZCLJGMXQAKJ-UHFFFAOYSA-N 406.464 0.556 30 20 HCED C#C[C@@H](NCC(=O)N(CCCC)c1c(O)nc(=O)n(CCC)c1N)[C@@H]1CCCO1 775791858 XJRMRPLTPSOHST-CABCVRRESA-N 405.499 0.845 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)C1=O 778079123 DVVRGWGJYWMZKM-UHFFFAOYSA-N 408.455 0.869 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(-c2ccccc2C)nn1C)[C@H]1CCS(=O)(=O)C1 783479896 GYFMREGPCRDTEQ-HNNXBMFYSA-N 414.487 0.983 30 20 HCED COC(=O)C[C@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(OC)cc1OC 785185299 XQBUDSAUVIVIRH-HNNXBMFYSA-N 415.406 0.783 30 20 HCED C#CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 798805286 GOFDKXSFPCBTAH-UHFFFAOYSA-N 407.448 0.842 30 20 HCED C#CCC[C@@H](O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 799072216 DUCAXLZEHXBQIV-CABCVRRESA-N 406.460 0.514 30 20 HCED C[C@@H](NC(=O)CCc1ccccc1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 799610987 MJHXTIXQCRLVHX-ZBFHGGJFSA-N 405.476 0.090 30 20 HCED COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)[C@H](C)Oc1ccc(C#N)cc1 802891227 DLGMSRNIFHGRHM-NSHDSACASA-N 403.416 0.938 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 804349000 HOKNUZUIZFSGGP-SFHVURJKSA-N 411.481 0.807 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 804718017 QCKWSOHSVBUTDU-UHFFFAOYSA-N 403.464 0.090 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)[C@H]1CCCO1 809306953 XDUMNHZUDDRXJI-IEBWSBKVSA-N 413.474 0.667 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[C@@H]1CCCO1 809312135 LGBUUNZWHKCZHF-VGWMRTNUSA-N 409.483 0.424 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 810774610 LBXAGWHBWHCSFH-KXKDPZRNSA-N 403.460 0.259 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 814541065 KGOWKDOWQUURDW-SFHVURJKSA-N 422.503 0.488 30 20 HCED COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 815813477 IMYPMKGCIDRZPY-XSOQZJFOSA-N 408.480 0.685 30 20 HCED CN(C)C(=O)OC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 815862376 ABEXOYRDBJXATL-UHFFFAOYSA-N 411.422 0.767 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)cn1 815887232 YTCBLKOSKRFLRR-UHFFFAOYSA-N 409.855 0.979 30 20 HCED C#CC[C@@]1(C(=O)N2CCN(S(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 816528247 SUMCVJQZDYYVIS-SFHVURJKSA-N 414.528 0.388 30 20 HCED COC[C@H](C)NC(=S)NN=C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 914559315 IVUYZGUFOPFVHG-JTQLQIEISA-N 402.546 0.666 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)CC1 915269108 LAGQBYDAPPSNCX-VOTSOKGWSA-N 403.508 0.208 30 20 HCED COCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccccn2)c1=O 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SEGPYZVTVQGHNG-IRXDYDNUSA-N 416.526 0.449 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1833808100 FGJODBCPWCKBDG-LJQANCHMSA-N 406.508 0.774 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1834173300 KLNCCQGDGCKQQS-OAQYLSRUSA-N 409.446 0.676 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834869374 PNCBLDLNLKAVIC-CQSZACIVSA-N 422.551 0.899 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835267128 AIMLDQZTHSVPGL-OAQYLSRUSA-N 401.463 0.789 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CNc5ccccc54)C3)C2)CC1 1835342832 SAVIGDLSYJDXEB-JTSKRJEESA-N 410.474 0.956 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cn5cccnc5n4)CCO3)C2)C1 1836883627 RBJWKHNKQSOQRH-OAQYLSRUSA-N 411.462 0.766 30 20 HCED CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)C4(C#N)CC4)CC3)CC2)CCC1=O 1837056208 RSULTRZBIHHEOO-UHFFFAOYSA-N 415.494 0.897 30 20 HCED Cc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561343 HTHJBZNGJCNBQN-SWHKHVPSSA-N 416.434 0.765 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949762 SKDBBKJGGHKWEB-BTYIYWSLSA-N 414.462 0.140 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1839174376 YGDVXCFSFZNGIS-FQEVSTJZSA-N 418.450 0.056 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839216273 KBKXEQVWPFDJDU-UWJYYQICSA-N 405.495 0.257 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839733627 RPSFDQVEGWDMAW-NZQKXSOJSA-N 409.486 0.893 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1839806022 XIIUNJGQIPODKV-NQIIRXRSSA-N 415.446 0.173 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cc3)C2)C1 1840043184 IWSFPVDXTJJEOW-IBGZPJMESA-N 406.822 0.498 30 20 HCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ccc1O 1840163624 WHGHJJWOPMOCGX-BFUOFWGJSA-N 410.492 0.789 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1840291467 PZBWVTQVWQPFHI-NQIIRXRSSA-N 407.511 0.551 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1840463692 WZWXSHUGDHOTFG-NRFANRHFSA-N 420.510 0.402 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCSC3)CCO2)C1 1840860695 NAZQGMBHMSHOSR-FUHIMQAGSA-N 410.536 0.624 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840939524 IRHGDHPBYNHAJD-AVRDEDQJSA-N 423.554 0.502 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844331628 AAFOXRIHMRAYJR-LSDHHAIUSA-N 401.467 0.389 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1846829608 XTXRBOAMYSWZQH-UZLBHIALSA-N 412.490 0.781 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)s1 14304614 VBLWBAJTIROGAV-UHFFFAOYSA-N 411.509 0.660 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 46231144 PHPVVLWQBSHUAT-UHFFFAOYSA-N 413.478 0.089 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 410141087 SWAZGTSIQMPZKR-LJQANCHMSA-N 410.540 0.626 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2CCCS2(=O)=O)cc1Br 433078472 SBTXZGUBLHDQKV-UHFFFAOYSA-N 408.299 0.635 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1C#N 435842295 BYEQQGJKQMZDQU-MRXNPFEDSA-N 401.467 0.740 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)cc1C 436127527 JQDPJSLPHZUEMN-KRWDZBQOSA-N 406.508 0.361 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 437394273 SBSVXJRDJWZDEY-UONOGXRCSA-N 410.496 0.946 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 440372923 GIYARXRKUCGQNR-UHFFFAOYSA-N 414.487 0.829 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 443080891 VKSDJJJVLQLKDG-CQSZACIVSA-N 421.928 0.978 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)ccc1OC(F)(F)F 443280805 YLHVZNITONROCL-UHFFFAOYSA-N 410.312 0.665 30 20 HCED COC(=O)C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(=O)OC 443490713 YLGFFWMAJHCGOM-NSHDSACASA-N 405.226 0.704 30 20 HCED C=C[C@@H](CO)NC(=O)NCCCNS(=O)(=O)c1ccccc1Br 461011965 AKLWQUYFSVJJLF-NSHDSACASA-N 406.302 0.964 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CN(Cc4ccccc4)CC[C@H]3C2)C1=O 461422575 DFYRCMHNZBFWSV-ROUUACIJSA-N 410.474 0.944 30 20 HCED N#CCN1CCC(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 464987721 QSKAIFMPTFLNKQ-UHFFFAOYSA-N 400.451 0.985 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H]1c1cnn(C)c1 470889442 DORVVAZZUOXRQA-VQTJNVASSA-N 408.462 0.539 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1OC 474058379 QPQKQVQKGRXPPZ-CYBMUJFWSA-N 403.478 0.846 30 20 HCED CCN(C)C(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(C#N)cs2)c1=O 481045393 ZVBAMDMTHIBNTI-UHFFFAOYSA-N 401.513 0.910 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 481779201 NCQPGWVDAMJGFQ-AEFFLSMTSA-N 419.551 0.463 30 20 HCED CN(C)CCOC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 485138645 KIKIQRDLVHHFMK-UHFFFAOYSA-N 408.524 0.748 30 20 HCED COC(=O)CC1(CS(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486613534 ZUPKVSCZTZCLHG-INIZCTEOSA-N 405.476 0.922 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1Br 498591319 KMVBDLOKDSTTNO-AWEZNQCLSA-N 422.283 0.715 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C)c1=O 502048737 LMRFOOZVSVFHAO-UHFFFAOYSA-N 419.576 0.672 30 20 HCED COc1cc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)ccc1S(=O)(=O)N(C)C 506618591 ANZCTNRERNAPKX-UHFFFAOYSA-N 412.443 0.738 30 20 HCED Cc1cc(F)c(NC(=O)C(=O)NCC(=O)NCC#N)c(I)c1 509000528 UWAMNENCFJKHPZ-UHFFFAOYSA-N 418.166 0.433 30 20 HCED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 509002160 QHAUTNYOIRGDAD-HNNXBMFYSA-N 403.446 0.826 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@H](C)NS(=O)(=O)N(CCC#N)CCOC)s1 510710582 CFEZXIVPSJOWGF-NEPJUHHUSA-N 418.545 0.760 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1 511895915 LMOJUGRKTBUEBN-UHFFFAOYSA-N 421.523 0.640 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C 514523279 HCHGDTXBTNGHPI-UHFFFAOYSA-N 421.862 0.095 30 20 HCED Cn1cc([C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(F)(F)F)cn1 520297194 NRFAHFPRHGLBKJ-AWEZNQCLSA-N 401.370 0.990 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c2)c1 541020444 XYVXCVAFHQFTFN-UHFFFAOYSA-N 402.432 0.480 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2OCCN(C)C)C1=O 552193409 HVKFAVMCQXMKGM-KRWDZBQOSA-N 402.495 0.489 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(S(=O)(=O)NC)CC2)c1 554322591 JWOLOLXIRZVVDF-UHFFFAOYSA-N 401.510 0.305 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3Cn3ccnc3)C2=O)cc1 561707755 SMDYLYLSFSRKFI-MOPGFXCFSA-N 420.473 0.663 30 20 HCED N#Cc1ccc(S(=O)(=O)CCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)nc1 565265285 GGDDWGCJPODLQT-UHFFFAOYSA-N 422.488 0.373 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 565468649 APVQSJHCVRMYAF-CPNUEBSUSA-N 407.474 0.737 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O 570360849 ASVAUMIVDOTPCZ-CVEARBPZSA-N 418.881 0.807 30 20 HCED CCN(CC)c1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cn1 573745894 FSOBLLLAWPEDCE-UHFFFAOYSA-N 412.498 0.812 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)n1 577309533 CPVUEMVKVPLKKV-OAHLLOKOSA-N 408.393 0.936 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 579646657 YVIMEMUMZVUMOM-UHFFFAOYSA-N 406.508 0.714 30 20 HCED N#CC1CCN(C(=O)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 581158129 KPPAAILPCNJKCH-RBUKOAKNSA-N 409.490 0.464 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](CC)Oc2ccccc2F)CC1 581392425 XOKVGIBGRYVYSU-INIZCTEOSA-N 420.485 0.546 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCOC[C@H]3CCOC3)CC2)cc1 588107908 ZYPNWINACJMIPO-FQEVSTJZSA-N 414.506 0.762 30 20 HCED N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)n1 589452909 LCGCUSLUFRFAEB-AWEZNQCLSA-N 420.472 0.671 30 20 HCED CN1CCC(N2CC[C@H](N(C)C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 589452935 PCPRCOLLOMSRMM-SFHVURJKSA-N 419.551 0.463 30 20 HCED CN(CC(=O)NC[C@H]1CCCN1c1cccnn1)S(=O)(=O)c1ccc(C#N)cc1 609836689 KJSXTURYKMLJQV-MRXNPFEDSA-N 414.491 0.754 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(N)=O 609954066 RGLDNVWRMJINCC-INIZCTEOSA-N 401.467 0.740 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccccc2[C@H]1C(N)=O 610805899 OIKDLPKLDZPRCL-UGSOOPFHSA-N 412.471 0.836 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-n3ncc4c(O)ncnc43)cc2)C1=O 623219079 PJQVWCMEBLKFNW-UHFFFAOYSA-N 421.373 0.436 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 727191516 CNBQGUNJGYWQAB-IMJJTQAJSA-N 419.434 0.702 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccncc2)c1=O 732663288 OMMMOONCNUXKGK-UHFFFAOYSA-N 416.528 0.030 30 20 HCED COc1cccc([C@H](C#N)NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1OC 737842259 MOMHLVRFHDRRRF-AWEZNQCLSA-N 423.429 0.953 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2nc(O)nc(O)c2N)cc1 742246058 WIJHLVHNHZRLCP-SRZZPIQSSA-N 406.424 0.535 30 20 HCED COc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1[C@@]1(C)NC(=O)NC1=O 747406505 FHLDIBGXXWEHPF-MRXNPFEDSA-N 404.408 0.271 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)CC1 747991613 KWGVTTFMNCQDKH-UHFFFAOYSA-N 415.446 0.555 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CC1 748817814 OXAPEFUXNPDZED-HXUWFJFHSA-N 404.942 0.768 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 751832489 QGLGTHKNOPATBV-UHFFFAOYSA-N 417.560 0.832 30 20 HCED C=CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@@H]1CCS(=O)(=O)C1 754409555 MXUBJHJVWJDNQL-SECBINFHSA-N 410.876 0.942 30 20 HCED CC(C)c1nc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccn12 755805418 UWQXZUOTMVMMBD-UHFFFAOYSA-N 404.452 0.168 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758481689 UKNHPAIIJGKGKA-HOCLYGCPSA-N 422.530 0.597 30 20 HCED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(CCC#N)CC2)C1=O 760945388 XAJZYJCIMUZBFX-NRFANRHFSA-N 412.494 0.492 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761418404 OXALXMFUECLNFN-LBPRGKRZSA-N 420.403 0.538 30 20 HCED C[C@@H](O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 763004769 YJOAWNYTNLXVGB-SPYINAPQSA-N 406.468 0.783 30 20 HCED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccn(C)c2)c1=O 763460726 MTPAHOORLDDPBD-UHFFFAOYSA-N 423.498 0.822 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)cs1 766619830 NSQAHXBZDBMDQL-UHFFFAOYSA-N 419.532 0.938 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767553003 OOWVWGYVYPOSAD-HXUWFJFHSA-N 416.482 0.503 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 770836840 UNQUBOUKJLXMIF-YJLNNSPDSA-N 417.487 0.826 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Br)c(C)n1)[C@H]1CCS(=O)(=O)C1 773658305 SAJBVQPRLQHTTQ-NSHDSACASA-N 414.281 0.740 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 775550672 KROYQPZRWHOPNA-UHFFFAOYSA-N 406.468 0.946 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 775795855 PWYBBDHWQKGQPQ-QZTJIDSGSA-N 416.503 0.162 30 20 HCED CC[C@]1(O)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 778964299 HQDSZLTZGUENEC-JIVYGXRASA-N 422.507 0.811 30 20 HCED COC(=O)NCc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782904989 KBIUHEIREQXHGD-UHFFFAOYSA-N 417.466 0.556 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 783012808 XTHNYOIKPGKCNB-UONOGXRCSA-N 405.517 0.911 30 20 HCED COCCNC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 783673387 NLAZMGOLZNXYQG-DOMZBBRYSA-N 402.407 0.458 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784555315 MBWLSKYTGNSOGQ-UONOGXRCSA-N 421.450 0.943 30 20 HCED CN(C(=O)COC(=O)C1(C(=O)OCC(=O)N(C)C(C)(C)C#N)CC1)C(C)(C)C#N 785326379 KNHLYKVTWMRROC-UHFFFAOYSA-N 406.439 0.374 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)NCCN1CCOCC1 788108352 RMCBECANZWDKIE-OAHLLOKOSA-N 404.467 0.588 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NOC[C@H]2CCOC2)cc1 788352088 YDSZOTKHKDANPY-JPDJOPTESA-N 424.479 0.522 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(CC3CC3)CC2)n1 788462207 WLUOZMVIAOYYLR-UHFFFAOYSA-N 401.511 0.482 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)n1 789332401 RFCBWMOTUOXVPZ-UHFFFAOYSA-N 400.483 0.870 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2cc(C(=O)OC)c(C)o2)c1=O 798215736 JNIJPYYNOFYTQB-UHFFFAOYSA-N 404.423 0.321 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1=O 799153849 AZFSWPWEFFTNID-FJIDUMEYSA-N 404.511 0.763 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 799285526 HKDRWCGPYZAFIM-CYBMUJFWSA-N 411.480 0.165 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 803302422 OCQYCUMWHIIXHX-APWZRJJASA-N 414.506 0.946 30 20 HCED Cn1c(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)c(=O)n(C)c1=O 804833980 RLAJSTNUHJZVDY-AWEZNQCLSA-N 418.498 0.087 30 20 HCED C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 805062829 RFWURQLJVXJHRZ-HOCLYGCPSA-N 407.515 0.995 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 805480486 UJZPWXXFGKCKRI-KNCCTNLNSA-N 400.387 0.651 30 20 HCED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 806242350 ZTBNALAGLZUYKT-SFHVURJKSA-N 422.493 0.541 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)ccnc1-2 806898394 CSKVPMYQSVZRKQ-INIZCTEOSA-N 403.446 0.517 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)[C@@H]1CCCO1 809307965 IJYDBMIQXSICIT-IKGGRYGDSA-N 411.524 0.136 30 20 HCED C#C[C@@H](NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccc(Cl)cc1 811964466 IYFLEXGSVGSRDY-OAHLLOKOSA-N 416.869 0.686 30 20 HCED CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cn(C)nc3C(F)F)c2=O)CC1 812275789 CPCDIZPZAVZSGB-UHFFFAOYSA-N 404.446 0.874 30 20 HCED CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCN(S(C)(=O)=O)C1 813713328 GBAWUTCBUJEPQA-HZSPNIEDSA-N 415.516 0.421 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)COCc2nncn2C)cc1 815041597 KJZDCXBWEHAKFV-QNGOZBTKSA-N 406.468 0.783 30 20 HCED Nc1n[nH]c(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 820019416 XSBGIYKSWJSEIJ-UHFFFAOYSA-N 405.484 0.345 30 20 HCED COCCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916714364 CDSFOMVJTJSAFQ-RCCKNPSSSA-N 411.484 0.384 30 20 HCED C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1288525890 RFVGAVUHPGKZNX-KDOFPFPSSA-N 404.496 0.552 30 20 HCED CCS(=O)(=O)NCCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1314551656 PHNXLAWWBJSUHU-UHFFFAOYSA-N 421.502 0.863 30 20 HCED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1541865343 NPSYJXXLMZZGFF-BEFAXECRSA-N 405.478 0.563 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1561803351 IJZGASFORSFKHW-UHFFFAOYSA-N 420.516 0.662 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1570695203 OQODMRXLWSLLSZ-GOSISDBHSA-N 409.464 0.393 30 20 HCED Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1612612496 YIVSYZCWEOJASL-MJGOQNOKSA-N 417.491 0.586 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615842892 IZPUIBDSCQWGQJ-KURKYZTESA-N 403.531 0.537 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)CC2)o1 1617917959 KEXISMXDKBTUGN-JKSUJKDBSA-N 407.496 0.155 30 20 HCED CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 1621946233 MPWLARBSMBMUQO-UHFFFAOYSA-N 411.455 0.918 30 20 HCED C[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCN(C(=O)c2ccccc2)C1 1641970931 UKPYWRGHMCDXJX-NRFANRHFSA-N 409.446 0.879 30 20 HCED CS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698319148 YYPKWTMTQRZFMS-HNNXBMFYSA-N 416.511 0.066 30 20 HCED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1730276706 NCQBUGRNADIDFM-AWEZNQCLSA-N 422.449 0.836 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1750379278 SHNPSMOVTFMNIC-MEBBXXQBSA-N 420.417 0.003 30 20 HCED CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)C1 1767696841 UFUPKHTVWNAZMP-KZGGZSBBSA-N 411.528 0.849 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1767707538 KBVBFJOYAALTKI-UTKZUKDTSA-N 410.478 0.929 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)c1 1777999050 AHVKCAVPVLWJOP-NNMXDRDESA-N 413.522 0.291 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCN3CCOC3=O)C2)CC1 1778779154 KQGFHBOARNTMAK-FOIQADDNSA-N 404.467 0.646 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN(C)C(C)=O)C2 1779330571 LGQODKFMCWPKFV-NJNPRVFISA-N 423.554 0.942 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N(C)C(C)=O)C2 1779334985 FLFMLEOVRRYLBA-OQYZPLRDSA-N 423.554 0.940 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1781396090 HKVNXDHQTNTEQZ-MDZRGWNJSA-N 406.487 0.545 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1781399540 GVEXYWVAIHECLQ-KXBFYZLASA-N 405.455 0.486 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1781400088 HJWAIDJFSHZWHZ-OXFYSEKESA-N 403.483 0.712 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1781741812 CKAUPNSFVHIXAO-PDSXEYIOSA-N 415.494 0.915 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](C)S)C2)no1 1782184503 UTEXWQFTEVKCOG-ZBQZNYHESA-N 424.523 0.545 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782961278 NWIDULPGRBKHJO-CJNGLKHVSA-N 406.451 0.605 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783123293 OTMALHUSCIZXHB-STXHMFSFSA-N 405.499 0.641 30 20 HCED C=C(C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1)C(F)(F)F 1783200694 CSQRYJWCZKSZCM-HNNXBMFYSA-N 410.414 0.841 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C[C@@H]21 1784477639 GTQICTORSLYFCV-VINWQNLFSA-N 421.538 0.555 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784536080 KVASDILODJWUDY-ZOFXXKQRSA-N 415.556 0.072 30 20 HCED 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JONPMAFRPOVIKN-UHFFFAOYSA-N 400.526 0.451 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473389467 MSNIATYGYRXKPO-JXFKEZNVSA-N 423.517 0.861 30 20 HCED CN1CCN(C(=O)C2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)CC1 477030277 DITZXHMSJCYDML-IBGZPJMESA-N 409.490 0.676 30 20 HCED CC(C)C(=O)NC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 478312917 LKCPBKIFBAQDNN-UHFFFAOYSA-N 406.508 0.942 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(N)=O)c1 480440531 PLDXMGKOBPGVAW-GFCCVEGCSA-N 402.432 0.728 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)nc1 480951983 KHDDOBLIIYSKDN-UHFFFAOYSA-N 407.455 0.431 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O 482199755 PQEYYCUXZIUIPG-OLZOCXBDSA-N 413.521 0.649 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CC1 482199756 PQEYYCUXZIUIPG-QWHCGFSZSA-N 413.521 0.649 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 484622318 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20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 510661158 JALSZQPOIRZOAP-LLVKDONJSA-N 414.465 0.701 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2S(N)(=O)=O)cc1 510742274 ZFYZQYZQPJXRPH-UHFFFAOYSA-N 416.459 0.505 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCCOCC 512770205 BBICZHDEESFFGA-UHFFFAOYSA-N 417.535 0.582 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1C#N 540289812 UKHZAYUWQYNACJ-UHFFFAOYSA-N 401.467 0.692 30 20 HCED CN(C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1)S(C)(=O)=O 540307078 LSJCULYBRYXEJY-UHFFFAOYSA-N 410.500 0.331 30 20 HCED CC#CCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 542672082 ICEYMSSICZWPBI-HNNXBMFYSA-N 420.940 0.951 30 20 HCED NS(=O)(=O)[C@H]1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 543439151 VIASIKPRAOGLSF-HNNXBMFYSA-N 403.426 0.926 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 546005657 UFNLLNNQFGVSNI-CQSZACIVSA-N 401.467 0.564 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 550705659 XIZJGAXUBCRHAH-FQEVSTJZSA-N 419.485 0.899 30 20 HCED CN(CC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 555630184 JXLHGQXXORAMFN-OAHLLOKOSA-N 413.521 0.462 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 555998483 SXOOTWUMPCRDRA-LPHOPBHVSA-N 403.479 0.867 30 20 HCED CCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CC(=O)N(C)C1=O 558737518 CNNBGNBJJASJHZ-HZPDHXFCSA-N 417.535 0.926 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2)o1 558979265 PXDLFNSFGZKHOT-UHFFFAOYSA-N 423.477 0.914 30 20 HCED COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)NCC(=O)NCC#N)c1 561471490 YWHKNIOVCWJDMJ-UHFFFAOYSA-N 418.431 0.571 30 20 HCED CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 564029530 MOOAFLGQVZFDTP-AWEZNQCLSA-N 403.414 0.971 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 564273200 FVDSZSGZJSEKPK-UHFFFAOYSA-N 400.464 0.632 30 20 HCED Cn1nnc2c1C[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccccc3C#N)CC1)CC2 565389170 AUSDEZOXIHGJAN-AWEZNQCLSA-N 414.491 0.325 30 20 HCED COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)CC2 569175388 NEEOKXBYPOUVQR-ZDUSSCGKSA-N 408.418 0.879 30 20 HCED COc1ccc(Cn2ccc(=NC(=O)C(=O)N=c3cc(C)n(CCC#N)[nH]3)[nH]2)cc1 577029159 JKKYRUIBTRWYQW-UHFFFAOYSA-N 407.434 0.780 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NCc1ccccc1 577801829 XLAMNBVIOHXXJA-CQSZACIVSA-N 406.512 0.827 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCN(C)c1ccccc1F 577968893 JJNDUMIOEMQTDN-UHFFFAOYSA-N 415.473 1.036 30 20 HCED CC(C)CC(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 582270524 FSTVSJAPGJFESG-UHFFFAOYSA-N 406.508 0.990 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(CC4CC4)CC3)C2=O)cc1 588870134 CVENFYIMXSDLDH-IBGZPJMESA-N 409.490 0.330 30 20 HCED CC(C)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)NS(C)(=O)=O 609455482 QXRCGQDTSHATTK-UHFFFAOYSA-N 401.510 0.822 30 20 HCED Cc1nc(=NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n(-c2ccc(C#N)cc2)[nH]1 610109957 KYNFWSPMBHNYJR-UHFFFAOYSA-N 416.401 0.067 30 20 HCED CC1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1CCO 614895277 VPKSJSYBZMAKFX-KRWDZBQOSA-N 413.478 0.678 30 20 HCED CN(C)C(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1Cl 615629929 XRCYRAHPVUKVCL-GOSISDBHSA-N 423.832 0.561 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 617038246 XRHHFPPVDXSHKN-DLBZAZTESA-N 419.507 0.382 30 20 HCED C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(N)=O)C1 670215331 SOEMIEKEPXBDQW-AWEZNQCLSA-N 419.511 0.505 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cc(C)nc3C2)cc1 679910358 CPWAQFLFHNMWII-UHFFFAOYSA-N 417.491 0.979 30 20 HCED NS(=O)(=O)c1ccc(C/N=C2/S[C@H](CC(=O)NC3CC3)C(=O)N2C2CC2)cc1 726404410 XJRIGKIVZFYSCL-UDJKBAMHSA-N 422.532 0.965 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 730396046 LDCBGMOSCCVZMP-DZGCQCFKSA-N 410.496 0.531 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C)c2)c1=O 732664340 NGVNYTAEQMYMNJ-UHFFFAOYSA-N 417.560 0.378 30 20 HCED NC(=O)[C@@H]1Cc2ccccc2N(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 732760961 QYZOVXOAWIZARJ-CQSZACIVSA-N 412.471 0.806 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)C(=O)C1 741427434 LIIXRMPNACTYDF-UHFFFAOYSA-N 422.463 0.442 30 20 HCED C[C@H](CC(=O)NCc1nnc2n1CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 742547770 ANAISEAJZPKQER-GFCCVEGCSA-N 402.480 0.748 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742559458 SGCYYLKBPIIGQT-YKCBXCCJSA-N 409.442 0.617 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1C1CC1 742850525 HMWRBXZFKPCOFO-AWEZNQCLSA-N 417.495 0.922 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 744089602 YOQSPXQRUFJCGT-JHNDHUHGSA-N 417.443 0.057 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@@H](C)C(=O)NC(N)=O 744593154 HOXQQLIHOOYMFL-WLRWDXFRSA-N 400.391 0.278 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745587709 ZLPGOKNSQTVMEQ-KZULUSFZSA-N 409.464 0.545 30 20 HCED C[S@](=O)CCN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 746466358 DFGNSPNBDBLDTP-NDEPHWFRSA-N 400.508 0.679 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCc2ccccc2CN2CCOCC2)CC1 747819951 CTHPZPCEPZPASK-UHFFFAOYSA-N 412.534 0.596 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)CC1 747850026 MHPHOZNSWQIXCG-UHFFFAOYSA-N 408.476 0.779 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 747881787 DELRPFKDQMGNBL-UHFFFAOYSA-N 411.911 0.996 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 749663854 NGMNZRITXYYPIY-AWEZNQCLSA-N 416.453 0.588 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 756304670 CGSPDRABDYXCGK-UHFFFAOYSA-N 412.439 0.242 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccc1C#N 756752734 TUDFAZLQYZKQLS-NEPJUHHUSA-N 405.436 0.529 30 20 HCED CNC(=O)c1nn(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(=O)c2ccccc12 756874303 ACCAFNUBAIOUEA-AWEZNQCLSA-N 418.461 0.586 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C(F)(F)F)ccc2F)c1=O 758067634 HFPLMIVBZIIWGB-UHFFFAOYSA-N 409.364 0.950 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2CC(F)(F)F)cc1 758394827 RBPYCFFJEMFDIQ-UHFFFAOYSA-N 403.342 0.504 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCOCCS(C)(=O)=O)C1 758535180 MWNUBRZNXRGYDH-QWHCGFSZSA-N 404.489 0.106 30 20 HCED N#Cc1ccc(F)cc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 759325717 AQSYJFGBZASQOK-INIZCTEOSA-N 401.485 0.332 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 759401458 OQHFGAACZQKORE-AAEUAGOBSA-N 419.438 0.924 30 20 HCED COC(=O)C1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCSCC1 759900166 DUZAAJOPYOAAHG-UHFFFAOYSA-N 411.505 0.670 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccn(C)c2)c1=O 763436525 UTCDQPRGPVTZGL-UHFFFAOYSA-N 416.572 0.983 30 20 HCED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 763956029 JGYLFWIWDBWKJC-UHFFFAOYSA-N 419.503 0.388 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 765405323 IWAYMIIRJVYJCG-UHFFFAOYSA-N 412.519 0.766 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCOc1ccccc1C(N)=O 766365374 LZXRLFCUENEQAO-ZDUSSCGKSA-N 417.443 0.946 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1CCOC 768504629 VIJHXACTTVJCOS-UHFFFAOYSA-N 420.494 0.867 30 20 HCED Cc1ccc(C(=O)[C@@H](C#N)C(=O)c2nccn2C)cc1S(=O)(=O)N1CCOCC1 770863863 WVVIXOJLHJOWBN-OAHLLOKOSA-N 416.459 0.955 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)c3nccn3C)C2=O)cc1 770866043 OQWFPIHDCXZHEF-XOBRGWDASA-N 409.402 0.787 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CCC1 771078543 TZWCTHLICQMVON-ZDUSSCGKSA-N 419.459 0.951 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc[nH]n1 772200101 KGZJDDYMNXHENF-UHFFFAOYSA-N 400.351 0.676 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C)c1cc[nH]n1 772486910 JBWLZRPNVVPHIA-AWEZNQCLSA-N 404.427 0.634 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCCOC)cc1)[C@H]1CCCO1 773788828 KOIIGLPULPXFNC-DLBZAZTESA-N 408.476 0.732 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC)[C@H]1CCCO1 773791415 BPFWYUODLCTULI-QWHCGFSZSA-N 420.418 0.735 30 20 HCED CN(CC(C)(CO)CO)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 775311779 BIRIADJDWADYCO-SILNSSARSA-N 412.512 0.954 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 783298799 WCSMAJGURDDSBG-OAHLLOKOSA-N 407.558 0.623 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 783537193 XFTYIJHEAOWLCT-OAHLLOKOSA-N 400.522 0.804 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCOCC1=O 785280995 CPSZQVSQOLIBHW-OAHLLOKOSA-N 423.491 0.686 30 20 HCED Cc1nn(C)c(N2CCN(CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)CC2)c1C#N 788044617 NXEWQMUSPKNBHZ-MRXNPFEDSA-N 410.482 0.031 30 20 HCED C[C@@H](CN1CCOCC1)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 790129584 XVJVEMCYYJQXGS-CABCVRRESA-N 408.524 0.683 30 20 HCED CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NCCC#N 795045904 KAKNYAKSRXJTTO-UHFFFAOYSA-N 423.539 0.995 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(F)cc(C(=O)OC)c1F)[C@@H]1CCS(=O)(=O)C1 797054714 KQWZNFWXBDYDCZ-LLVKDONJSA-N 414.386 0.339 30 20 HCED C#C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 799047427 ZANQVJFXKZBMDZ-GJZGRUSLSA-N 423.491 0.144 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 807064035 BQONBCJZKGZVNQ-KBPBESRZSA-N 403.435 0.413 30 20 HCED C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)(C)C 807878837 FOORCERZXWOFST-HZPDHXFCSA-N 414.549 0.932 30 20 HCED CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 813563212 HWPJAFDNYZMKBJ-GPCGCHSQSA-N 403.508 0.727 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(C)CC1 843754512 LUBRIEIKJJGQFE-QGZVFWFLSA-N 421.567 0.503 30 20 HCED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 914814053 DBJWCQLDANWOLQ-MRXNPFEDSA-N 400.504 0.987 30 20 HCED 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20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1837401004 RXSVWQZWTIGOPG-IIBYNOLFSA-N 419.478 0.430 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)CCC(N)=O)C2)C1 1837662836 FZYJWDBUIFSPMG-HRAATJIYSA-N 424.542 0.028 30 20 HCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837741282 MPJFAUJDPIMAFP-KKSFZXQISA-N 413.478 0.642 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838105477 GWHUHZMEDMCNAB-AUUYWEPGSA-N 409.439 0.023 30 20 HCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1838193145 QLOAWOJOUVIMBG-NRFANRHFSA-N 413.478 0.521 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1838949398 APODNSNAMVHTCI-JOCHJYFZSA-N 421.457 0.661 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)cc1 1839361729 ADUZZZXHZCLRJT-QFIPXVFZSA-N 423.473 0.719 30 20 HCED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419920 BUXKMEUUGPPPTA-HXUWFJFHSA-N 404.442 0.329 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625270 KNKXRZVWIJEPQH-LJQANCHMSA-N 403.414 0.515 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)CCO2)C1 1839695123 ZGWTZKCSHFJGCQ-PANQXIRQSA-N 408.520 0.909 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1839809813 MUMBLIJZXYVZFU-HRAATJIYSA-N 423.510 0.769 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1839838350 FZNDZILUDPMRBB-KXBFYZLASA-N 414.524 0.561 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839840862 IPJUESMTAZSDMT-DYESRHJHSA-N 420.510 0.812 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839841639 VAADYBBERMLBAI-LAUBAEHRSA-N 420.510 0.812 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1)C(F)(F)F 1839894208 OXPUDJASNHWKSJ-FWVUHSSSSA-N 419.400 0.601 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840026972 CHNSGYXCXFORHP-ORAYPTAESA-N 407.854 0.662 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840361346 WEQCVULJGGHDCO-JTSKRJEESA-N 412.490 0.384 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840618210 SAONOMMQCWVXRV-HMECNJMJSA-N 409.458 0.193 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814404 HTWBPLVDYTVMCQ-OXJNMPFZSA-N 416.482 0.064 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840838612 RQBCONGPCASRGQ-QSUXNPJJSA-N 411.455 0.275 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1840840984 XDVBYUKKIYURAZ-CSODHUTKSA-N 406.479 0.446 30 20 HCED CN(C)C(=O)NCC(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1841135061 QDVVCWWVPNOEPM-UHFFFAOYSA-N 401.442 0.714 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844286417 MEUCRJQVHMQISC-JKSUJKDBSA-N 410.467 0.258 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2)C1 1844893693 PGDPPQTWMGRHCN-CQSZACIVSA-N 404.492 0.703 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1845187678 FZZUOIWSXAZLPZ-UHFFFAOYSA-N 402.451 0.713 30 20 HCED COCCn1cnn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=S 27538828 OHKMGHKWHNNVEX-UHFFFAOYSA-N 422.536 0.896 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 409476591 MENXARRFEUOYMG-AWEZNQCLSA-N 402.423 0.767 30 20 HCED C[C@H]1CN(CCOC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C[C@@H](C)O1 409484482 KJMZWVYEZIJVDC-JZXOWHBKSA-N 416.544 0.046 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)n1cnc(C#N)n1 409509293 PUYSXNKYBRIXAQ-LBPRGKRZSA-N 414.451 0.120 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 409510849 NNTAJJGNYNNQEH-MRXNPFEDSA-N 422.573 0.420 30 20 HCED CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)N1CCO[C@H](C#N)C1 409524234 XKICSTTWBLTLOO-CQSZACIVSA-N 410.452 0.187 30 20 HCED CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 409543587 GJHUREYXNSPYFK-INIZCTEOSA-N 409.468 0.375 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 409560408 ATHCNINWLKQECW-HXUWFJFHSA-N 421.567 0.643 30 20 HCED Cc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410148098 PFMBFKFABVXJKP-IRXDYDNUSA-N 422.507 0.376 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 410391149 KNINPDDDYDYQIV-LJQANCHMSA-N 410.540 0.974 30 20 HCED Cn1nc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC(F)F 426681357 ACMIOFRVRNPMJC-UHFFFAOYSA-N 405.365 0.575 30 20 HCED COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1C(=O)OC 441870918 QVKSIUVAGWIPSD-GXFFZTMASA-N 402.375 0.952 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1 443052426 VVQASNDHICOOKR-UHFFFAOYSA-N 407.473 0.918 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 447199654 MFBPWADUNWSNGV-UHFFFAOYSA-N 400.526 0.339 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462107054 YUCWFTSODFFNNH-UHFFFAOYSA-N 403.468 0.947 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C[C@@H](C)O1 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HCED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C 506885370 QEXPBOZGGKGCCC-UHFFFAOYSA-N 419.438 0.642 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 508306944 CDUPKFOYBNZZEN-KRWDZBQOSA-N 404.492 0.589 30 20 HCED CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 508731014 QBTXNLNMYBGTKS-GOSISDBHSA-N 422.489 0.944 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1=O 510208129 DMQAZGSOWXMSLI-UHFFFAOYSA-N 423.473 0.631 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1 514030507 HJFBOZMRAQLKPP-BIENJYKASA-N 417.491 0.323 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)cc1 523840343 FKSHFPGMXNTTAC-UHFFFAOYSA-N 416.507 0.527 30 20 HCED CN1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 531006945 RDWASSDGACPRRF-QGZVFWFLSA-N 405.524 0.916 30 20 HCED C[C@H](C#N)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 531964248 HPQAUOTYZVGUJQ-CQSZACIVSA-N 410.471 0.715 30 20 HCED COC(=O)CCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1 540479886 CTSVHRXLFNLHJH-OAHLLOKOSA-N 418.498 0.073 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)C(=O)N(C)Cc3cccc(C#N)c3)ccn2)CC1 540585925 YBWOBTMZZKRQBU-UHFFFAOYSA-N 420.473 0.938 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCS(=O)(=O)CC3)n2)c(F)c1 543003100 DFLBNMIIRAHXNY-UHFFFAOYSA-N 405.411 0.469 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1cnn(CC)c1 548945788 FUWCMLPJLBSRQD-UHFFFAOYSA-N 414.516 0.601 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2CCCOC)c1=O 549549951 FFHUMRUFHIBEJQ-UHFFFAOYSA-N 415.519 0.334 30 20 HCED C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555243156 IUPHKDCQHRNTJH-MRXNPFEDSA-N 421.461 0.452 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3nnc4n3CCCCC4)CC2)c1 555805726 WEYFDJVOBKOMDQ-UHFFFAOYSA-N 422.493 0.279 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(C#N)cc1 556036888 BQPMBYCWOVDEHX-KRWDZBQOSA-N 411.506 0.892 30 20 HCED N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 558594620 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O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1822201927 YXZLFNNKTGLTHT-NPRIEWAGSA-N 400.439 0.962 30 20 HCED CN(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CCC1)CC2)C(=O)C(=O)O 1824676993 MADRCKJVIPBZSA-JTQLQIEISA-N 419.463 0.292 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1830060556 WXUTYGLCYIHPJX-GOSISDBHSA-N 411.409 0.898 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccco3)C2)C1 1831387920 TUYYILMBGUOVSS-QDYDYXSASA-N 402.447 0.788 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3noc(C)c3C)CCO2)C1 1831977500 DVTMURVAWODDTO-IIBYNOLFSA-N 421.494 0.935 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1832452916 JNVBUOWXJXMYGS-KRWDZBQOSA-N 412.537 0.836 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnccn2)CCO3)cc1 1833978873 VPHDCZCWEIFAQD-QFIPXVFZSA-N 421.457 0.926 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cnn1C 1834426685 DYYBWYBKBSUYIW-JOCHJYFZSA-N 423.473 0.984 30 20 HCED Cc1nc2ccc(F)cn2c1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765549 QSXVFVBKDDWRCH-FQEVSTJZSA-N 415.425 0.766 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CC4)C2)C1 1834767569 UQKASYMJVYWKHP-NRFANRHFSA-N 412.446 0.555 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1cccc1C=O 1835952866 RAWYXSHUDMWASW-UZLBHIALSA-N 402.451 0.622 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836315633 AQPSJYPIRBSTFP-DYESRHJHSA-N 421.469 0.864 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837394899 KWKGQOJFKNHVOX-UZLBHIALSA-N 404.467 0.120 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC3)C2)C1 1837527874 YVHKEKJFPQHKRN-CFFCXZSUSA-N 409.483 0.772 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838198380 VYINPCGOGCXDBY-OAQYLSRUSA-N 400.479 0.631 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838550317 WMNAPBDMEUKZSF-OAQYLSRUSA-N 402.447 0.151 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n[nH]1 1838736082 IIBVQYTXJHYTLW-FQEVSTJZSA-N 412.450 0.556 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CC)CCO2 1839851912 NRMHXOYCLIPWLI-GIWCCYDRSA-N 407.511 0.737 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1)C(F)(F)F 1840448751 HPOMNMRHOJLOGS-INIZCTEOSA-N 417.388 0.243 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840842244 XGVINSQBKOJWGF-QFIPXVFZSA-N 423.473 0.751 30 20 HCED N#CCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CCO2)C1 1840898114 QOFRYBBWRBNBCU-RRFGBZISSA-N 414.418 0.978 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1841599833 OVJQMPPSILZKCO-HZPDHXFCSA-N 422.526 0.470 30 20 HCED O=C(O)c1cc(C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)ncn1 1842217070 JBATYDDIMHCGEV-UHFFFAOYSA-N 412.446 0.690 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)c1Cl 1842880729 WCXGTDFPUAIEKH-AWEZNQCLSA-N 403.870 0.621 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302931 WKBQXBYNRLPIQH-HLNVMSFQSA-N 411.455 0.335 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)C2=NN(C)C(=O)CC2)C3)c(C#N)c1 1845138409 YURKHIBQIHZROT-UHFFFAOYSA-N 423.473 0.921 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C(F)(F)F 1846014876 JHNLCAIONWXVAZ-CYBMUJFWSA-N 406.357 0.803 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c1 1846827927 WQQKUTMGWOTXBV-CQSZACIVSA-N 420.406 0.855 30 20 HCED C#CCNC(=O)[C@@H](C)Sc1nnc([C@H](CC)N(C)C)n1CCN1CCOCC1 29483783 QJBATOVUFGMURO-CVEARBPZSA-N 408.572 0.853 30 20 HCED CN(CC(=O)NCC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 58709535 OGHNFQAQOYYPJI-UHFFFAOYSA-N 414.487 0.654 30 20 HCED CCOC[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 148533052 KCXPPQCDUMTZHQ-JPDJOPTESA-N 410.496 0.979 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(Br)c1 301828684 GLDSSHYKKTWCCM-UHFFFAOYSA-N 407.268 0.828 30 20 HCED CCN1CCN(c2ccc(C/N=C(/NC)NCCN3CCOCC3)cc2F)CC1 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423.495 0.696 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cn1C 483521093 AVKGUSBLNKFRJK-KSSFIOAISA-N 410.544 0.478 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 485056238 PKPIYCJFXCYFBG-VLIAUNLRSA-N 410.434 0.792 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)n(C)n1 489366470 DTYUMYMPSYQLBA-HZPDHXFCSA-N 409.450 0.963 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 497033298 FBGFHNREEHOZEQ-QGZVFWFLSA-N 409.508 0.529 30 20 HCED N#Cc1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(OC(F)F)c1 498970772 WEHZXNZABIPSEU-HUUCEWRRSA-N 401.435 0.435 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)c2nnc3n2CCCCC3)n(C2CC2)c1=O 502046636 TZBIQGBJADMPRS-UHFFFAOYSA-N 407.503 0.847 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N3CCC(OC)CC3)CCCC2)C1=O 502542734 AYGLIYFUJVQIAU-UHFFFAOYSA-N 406.483 0.503 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1OC 514902630 QUNLINCSGAWXEF-UHFFFAOYSA-N 414.422 0.688 30 20 HCED CCOc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N(C)C 517328762 OMMABXHMNDCBDF-CYBMUJFWSA-N 410.452 0.025 30 20 HCED C=CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 518744112 ARPYJRONOSDAEM-AWEZNQCLSA-N 419.511 0.653 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)c3ccsc3)CC2)C1=O 524709203 UNTLIAWTGBXPJH-UHFFFAOYSA-N 404.448 0.399 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2sccc2OC)c1=O 531951714 JZUPNDZPOSWBEZ-UHFFFAOYSA-N 407.517 0.656 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 536341877 BYNNITXRLCGGPB-HNNXBMFYSA-N 422.555 0.686 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 538166420 XJNZNJRIZMLSRW-HNNXBMFYSA-N 415.494 0.380 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 545296924 UENFTTSQVIBPMY-UHFFFAOYSA-N 401.467 0.564 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)Cc1cc(C#N)ccc1F 546057740 DTNDKVPVUQTJCG-UHFFFAOYSA-N 412.487 0.250 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(C4CC4)CC3)C2=O)cc1 550317001 HGMGNHZXRRTUHW-LJQANCHMSA-N 409.490 0.518 30 20 HCED CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 559800342 BLDQNRIWLZQDQK-UHFFFAOYSA-N 420.473 0.620 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(CCOC)CCCCC2)CC1 561665852 KPFGEVBUKLDPIZ-UHFFFAOYSA-N 408.543 0.536 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)CCC(C)(C)C#N 571448322 BNFUKFQWUBEIGD-UHFFFAOYSA-N 403.526 0.659 30 20 HCED Cc1cc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1S(N)(=O)=O 573777711 CTOYDCZPTLFXIK-UHFFFAOYSA-N 414.491 0.941 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)OC 582137325 IAJIRCSSHYTBMR-CYBMUJFWSA-N 405.798 0.640 30 20 HCED Cc1cnc([C@@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 582569084 GJMJTWRJMURGOE-LBPRGKRZSA-N 415.523 0.934 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)COc3ccccc3C#N)CC2)cn1 610155570 HPVMPFPUHJODPB-UHFFFAOYSA-N 403.464 0.640 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCNC(=O)c3cc[nH]n3)cn2)c1 611547603 COUFCBBUHBZIMS-UHFFFAOYSA-N 419.401 0.953 30 20 HCED COCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCOC1 619856498 CJRPUMDRRIOWGT-OAHLLOKOSA-N 400.487 0.701 30 20 HCED C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1OC 727392808 YQTIDXVBMKBHEJ-FNORWQNLSA-N 412.450 0.631 30 20 HCED CN(Cc1cc[nH]n1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732703872 FYZURMGBNFBPRV-CJLVFECKSA-N 418.479 0.820 30 20 HCED N#C[C@@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908412 KJMLVTKZTKNPNO-IRXDYDNUSA-N 406.460 0.824 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c1 742799032 SMQLQCZDUCTABT-INIZCTEOSA-N 415.475 0.175 30 20 HCED CNS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 751567869 SMIXIEMANQVMIE-CYVLTUHYSA-N 416.525 0.767 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2C[C@@H]2C2CC2)CC1 751739706 IRXUTPBMHZELKT-SJORKVTESA-N 417.487 0.980 30 20 HCED CC(CO)(CO)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 754866751 XZMKMLJHFPJGLU-CQSZACIVSA-N 419.478 0.890 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn(C)c1=O 755551189 XGMVNAWYHZNBFC-OCCSQVGLSA-N 403.439 0.508 30 20 HCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccn(C)c2)c1=O 763444724 BAGWVTAWYJYAOO-UHFFFAOYSA-N 400.504 0.410 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(F)cc2Br)c(=O)n1CC(N)=O 767889679 CPPRANNYZYIXMO-UHFFFAOYSA-N 407.224 0.323 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCn2cc([N+](=O)[O-])cn2)cn1 768487585 YWAPXSOUXCARLV-CYBMUJFWSA-N 420.455 0.776 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 776143985 VMRSULLSAPZFRL-SFHVURJKSA-N 404.448 0.376 30 20 HCED CC1CCC2(CC1)NC(=O)N(CC(=O)OCc1cc(O)n3ncc(C#N)c3n1)C2=O 781870656 WEFHUVKPUYZWRQ-UHFFFAOYSA-N 412.406 0.850 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 783479974 NVJIRPATIZDZBA-AWEZNQCLSA-N 412.851 0.714 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 784629908 PZEZKXXEGGXLAR-UHFFFAOYSA-N 402.436 0.028 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787571287 UMBFHFHHNXTIHL-CYBMUJFWSA-N 407.448 0.662 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 787775906 RPQGKYFOZKSRQE-LJQANCHMSA-N 422.489 0.364 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C(=O)NCC[C@@H]1C 799764967 MPQVFZSPLNBSSS-NOLJZWGESA-N 406.508 0.925 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CC1 808324246 FOLHEGBJHIKXEK-KRWDZBQOSA-N 404.898 0.370 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811678249 BNDKNPAPZQKHQW-STQMWFEESA-N 411.480 0.289 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1cc[nH]n1 813860337 QBLZFULKQIQJAF-RRFJBIMHSA-N 405.455 0.457 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 820539030 BHCZAACNHULCFT-CYBMUJFWSA-N 410.448 0.197 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)nc1O 996527614 WFQFNPIWBWJUST-MLEONAHRSA-N 402.451 0.329 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2C1 1116773686 UNNWZYUJCCFCMI-HOCLYGCPSA-N 422.493 0.594 30 20 HCED COCCN(C[C@H](O)C(F)(F)F)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1164048999 RFXWRPAJWYHRPM-AWEZNQCLSA-N 408.398 0.871 30 20 HCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)N(C)C 1288673185 LHWVKWASVPKHKJ-RDJZCZTQSA-N 424.509 0.893 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1306201518 YPENIGFGTASCHU-KRWDZBQOSA-N 409.494 0.929 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2c(F)cccc2OC(F)(F)F)c(=O)nc1O 1309696607 NLMUMQHWGNNMEC-UHFFFAOYSA-N 422.316 0.837 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1321234605 YRSTWYNHDMQIDB-OAHLLOKOSA-N 413.521 0.918 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)n2)CC1 1345643683 YQDRUINHCBLHSQ-UHFFFAOYSA-N 401.467 0.936 30 20 HCED N#Cc1cn(CC(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c(=O)nc1O 1463934531 UYFUETQSPZQKHR-UHFFFAOYSA-N 406.402 0.844 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)nc2)n1 1542633927 UOWLVMYZINZGFL-HNNXBMFYSA-N 404.434 0.920 30 20 HCED CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1545217511 HLFHUZYJYMWVCU-SFHVURJKSA-N 406.512 0.963 30 20 HCED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCCC(=O)Nc1ccccc1C#N 1626908273 YRVPXVQAUSKSSI-INIZCTEOSA-N 400.435 0.947 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C[C@@H](O)COc1ccccc1C#N 1646135289 MKTLRLBXBZSYMB-HZPDHXFCSA-N 410.492 0.739 30 20 HCED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 1674093466 UMRPLMSDPQOBOI-KRWDZBQOSA-N 419.507 0.952 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 1679944941 QWNICCJSDULLBJ-RWMBFGLXSA-N 401.489 0.079 30 20 HCED C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1708039777 SKDOVSHRPFNJLS-LLDVTBCESA-N 409.512 0.460 30 20 HCED CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729205280 MTVVNAQWKOTGQH-MRXNPFEDSA-N 418.527 0.290 30 20 HCED COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1770559564 SGWGURRAYKKSID-JSGCOSHPSA-N 421.483 0.069 30 20 HCED N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@]2(O)CCOC2)cc1 1771534875 RNOPZRMNXRHSFU-MGPUTAFESA-N 412.450 0.192 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778785789 OCIOQMOJROQHOR-YWZLYKJASA-N 411.499 0.873 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)s1 1779016544 JARPOEVFKQNCRO-FUNKKEAFSA-N 420.539 0.691 30 20 HCED C[C@@H](CN)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395370 SSSASXMGXSLODN-WAOWUJCRSA-N 405.539 0.794 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1780175581 QLYOHONNRMDHAW-FQEVSTJZSA-N 411.418 0.753 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc2nccn12 1780335719 GJYZIJSDZIATQY-NRFANRHFSA-N 419.445 0.995 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780425261 JBSPKALAXLHEFM-MGPUTAFESA-N 402.451 0.357 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)cc1 1780695403 GURMBCWHQHMHNL-FQEVSTJZSA-N 409.402 0.517 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COCCO)C2)cc1 1780766739 RCRZKKMYWVWVEG-WIYYLYMNSA-N 401.463 0.695 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1781400091 HJWAIDJFSHZWHZ-SYNHAJSKSA-N 403.483 0.712 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1782057329 VGDKLWNDAMQTTJ-IBGZPJMESA-N 401.492 0.937 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782953310 MGXAUSFPCMRGBP-QFBILLFUSA-N 414.524 0.376 30 20 HCED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)CC1 1783211892 RSUGMMAMMSLJAF-OAQYLSRUSA-N 411.458 0.884 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1783568513 YPMARNWTERDHDA-IBGZPJMESA-N 406.822 0.880 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)OC)C3)C2)c(C#N)c1 1783989708 HVJFEMMZSCJQAG-BTYIYWSLSA-N 401.463 0.974 30 20 HCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1784187739 AYKRWPJFYYDNKQ-XOBRGWDASA-N 420.466 0.656 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2 1784196280 PIRKJYFVZNLMAE-FQEVSTJZSA-N 400.435 0.812 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)Cc3ccccc3)C[C@@H]21 1784483133 KTVZMMBBNMPADV-MQBSTWLZSA-N 414.502 0.608 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1 1785081287 GNMRLPPZCAVPJG-SXTKRDDTSA-N 412.490 0.480 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)cn3)[C@H]2C1 1786239570 XZRLRGWDZKCHLN-JKQORVJESA-N 404.467 0.670 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc(=O)oc1 1786278553 PTWAEIZVIVEVNY-HZIWBGJKSA-N 416.478 0.705 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)C[C@@H]32)CC1 1786696529 BDNBCSFXSOLOAN-FPSMNIFISA-N 414.506 0.671 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(N)=O)[C@H]2C1 1787409639 DIKHGNBBDLPFIF-FQUUOJAGSA-N 402.442 0.624 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncon3)C[C@@H]21 1788660397 MQBOYTWBJAFWAB-PKIPKTEFSA-N 407.427 0.192 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C[C@@H]21 1789891922 YHKJIKQMLKHBMY-HJWJTTGWSA-N 409.483 0.000 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccccc3O)[C@H]2C1 1790896054 NFHYOHBEYOSCGE-HYJFEMIMSA-N 400.475 0.953 30 20 HCED CC(=O)C[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791216387 CEQMKJVCKLBRRI-UBDQQSCGSA-N 406.527 0.863 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)C1 1792966364 HFQMJZSVISFDFX-WXQHOCMDSA-N 414.462 0.679 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)cn1)C2 1793340267 CXEJLMCBVQYLNF-GGXPGOJBSA-N 400.479 0.389 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccccc1=O)C2 1793357951 HNJBFUKIYRCHAT-CWLGOENISA-N 403.479 0.590 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793364310 NHBYUMZNVXNOAB-LOUJCGABSA-N 414.524 0.055 30 20 HCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 1793774188 NTNSFHGZTNXWFG-OAFZBRQQSA-N 416.522 0.917 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnsn2)c1 1794382200 JMPUDDHEEGTPMT-XOIINTDNSA-N 413.459 0.935 30 20 HCED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1795355172 PKZPZSUTDPJZPH-CCWDJLKJSA-N 405.426 0.564 30 20 HCED Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1795812524 PBSWFGBYIIMWEI-YGVZQAFMSA-N 419.482 0.081 30 20 HCED CC(C)(C)OC(=O)N1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1797142921 CCWYNWHCLSQOQH-IZZQQSIFSA-N 417.506 0.856 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)ON=C(C)C)C1 1799389176 GVKUHOBWJXJGQZ-SOMFZHDCSA-N 423.510 0.966 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccnc1C 1801454118 CRVJCOWPBIJYML-MWTISTBLSA-N 404.511 0.915 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc(Cl)nc2)[C@@H]1c1cccnc1 1802300756 KWFZNBQBKBUTJV-DYVFJYSZSA-N 413.821 0.933 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1803569984 BRYFXZSDKPESFJ-QSOKESPWSA-N 400.479 0.815 30 20 HCED COC(=O)CSCC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803580632 OSJBMTHANHUXNC-LIRRHRJNSA-N 419.459 0.082 30 20 HCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CCC#N)[C@H]1c1cccnc1 1810559845 OWUYMDILBIOGDB-AOIWGVFYSA-N 401.467 0.542 30 20 HCED COC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@H]1c1cccnc1 1810564236 KBUKUWMPQGJYLJ-STECZYCISA-N 408.524 0.557 30 20 HCED C#CC(=O)NC[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@H]1c1cccnc1 1812527895 XGUJTGHJIUGDFE-LPHOPBHVSA-N 404.492 0.146 30 20 HCED NC[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)c1ccccc1 1812879702 SWXBYVJEPVIUKT-XQBPLPMBSA-N 420.469 0.918 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)CSc3ncccn3)sc2C1 1815634416 CJAFVATUIAKAGU-JTQLQIEISA-N 417.472 0.725 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817359386 VLIGINKRHNKBFB-QEJZJMRPSA-N 420.514 0.568 30 20 HCED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](O)N4CCOCC4)sc3C2)CCC1 1819892027 DEDMMADGAPMFNK-BLLLJJGKSA-N 419.507 0.400 30 20 HCED NC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1828323029 YZWAZLZIIQVTIU-KKBVUKDESA-N 407.500 0.195 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1829773642 PGWJPSLGDLTJNZ-HIUWWZKQSA-N 403.479 0.101 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1830063367 QCMYBHSMWUQZLE-FQEVSTJZSA-N 402.451 0.336 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830205948 WRWBBJUWRGLGOF-OKYOBFRVSA-N 407.555 0.902 30 20 HCED CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1830701456 XWAFFKQDDOCHSF-CSODHUTKSA-N 421.494 0.726 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc(C)n1)CCO2 1833094969 RFWZMLQSRNEDDW-NRFANRHFSA-N 402.495 0.842 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)Cn2cccn2)CCO3)C1 1833191619 PHRPSIDEIIOIAF-UTKZUKDTSA-N 402.495 0.942 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1833465664 NVYSAHCHTPHLOD-QAPCUYQASA-N 421.542 0.043 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1833502880 OHYRLDIYNNWDGX-MGPUTAFESA-N 420.466 0.146 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192176 FPHSZBHVNHBRMW-XOWGOQOESA-N 422.526 0.341 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835829748 VVQNXADSRZAMSV-OAHLLOKOSA-N 401.511 0.552 30 20 HCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835842789 GVYRLROAQZHHBM-SFHVURJKSA-N 419.526 0.013 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C)[nH]n3)CC2)CC1 1836144353 IRLGMEIXDWKJGA-MRXNPFEDSA-N 401.511 0.942 30 20 HCED N=C(N)SCCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837865318 YOLCKEWTPOUKJA-UHFFFAOYSA-N 410.496 0.090 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838393038 DRGCUJVNGUNYRN-CJLVFECKSA-N 424.542 0.466 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838679190 JASAOHZYOINCEC-HXUWFJFHSA-N 418.498 0.070 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838737966 HVVUFRFMXXTENL-FQEVSTJZSA-N 408.418 0.470 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839223355 SVPCPIOZBVXUQU-IFXJQAMLSA-N 421.454 0.053 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(Cl)cn3c1C)CCO2 1839604168 YNWAKXRJNYEFQP-FQEVSTJZSA-N 416.865 0.999 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839713470 NMUVXXOAOHRQNN-QHCPKHFHSA-N 422.485 0.700 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840161050 CRVPMOLJYXSUJQ-ACJLOTCBSA-N 405.480 0.118 30 20 HCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161837 CBMJJQNDHFERLD-IFXJQAMLSA-N 409.508 0.787 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)CCC1 1840814299 ZWOIMTMDVKWNQZ-NRFANRHFSA-N 424.461 0.493 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 431392309 YTEKZFGMNBXQMU-KRWDZBQOSA-N 411.462 0.675 30 20 HCED N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 432721039 UBTDCZDUEKJNFG-UHFFFAOYSA-N 411.462 0.616 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)n2)c(Cl)c1 435256884 IQEVNHQGFNWGNT-LJQANCHMSA-N 412.837 1.074 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 435424738 AFPDLOGGQGFFHS-UHFFFAOYSA-N 412.518 0.778 30 20 HCED CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)N1CCOCC1 439059498 XJXYBXRFPPDNMT-HNNXBMFYSA-N 408.480 0.164 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)C1=O 440255881 NRMLUAXFDPFPSB-MRXNPFEDSA-N 401.467 0.410 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C2)cc1 442238784 BGWHRDPEEPBZHB-UHFFFAOYSA-N 424.461 0.315 30 20 HCED Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 448237252 DFHFCIKLJOEXJK-INIZCTEOSA-N 423.477 0.868 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 461376152 NHCZCVNJHHWAPF-UHFFFAOYSA-N 421.906 0.857 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 464854648 GLRWCTMZYXGXRO-ZDUSSCGKSA-N 412.454 0.408 30 20 HCED CN1CCc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2C1=O 472417704 SPKVRNVMEGVYQM-UHFFFAOYSA-N 418.457 0.869 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1cccnc1 480784355 GFFRQVCFZLTBBD-CYBMUJFWSA-N 401.448 0.166 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n(C)c1 486861983 MQLNCXHZUFVZKN-UHFFFAOYSA-N 402.480 0.504 30 20 HCED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498335132 RNEZYHMLXKICHL-ROUUACIJSA-N 418.519 0.990 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c(Cl)c1 503477106 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C=CCNC(=O)NC(=O)Cn1c(=O)ccn(Cc2cccc(Br)c2)c1=O 538147187 IDFWVWYGHYUKAK-UHFFFAOYSA-N 421.251 0.833 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 538348831 XSPHABGDYXWDMJ-QZTJIDSGSA-N 423.514 0.158 30 20 HCED COCCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 539374541 SAWYEHOJIFMNFG-HXUWFJFHSA-N 403.502 0.799 30 20 HCED CNc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 539925469 FSIXFOQGMBBEIK-UHFFFAOYSA-N 413.459 0.973 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 541176161 VCOYXYIMZJLGOT-CQSZACIVSA-N 417.809 0.736 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(C(=O)OC)CCOCC1 543212800 FERJFCBIBWGTOX-UHFFFAOYSA-N 419.434 0.608 30 20 HCED C[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 550979605 PEWATPMYHDIQKV-LSDHHAIUSA-N 418.461 0.910 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC1 551191588 CDLNHMUADJNKPJ-UHFFFAOYSA-N 419.445 0.984 30 20 HCED COCCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)nn1 552465616 IHQVYNLLKOEFDT-UHFFFAOYSA-N 419.463 0.310 30 20 HCED N#CCNC(=O)CNC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 553764248 VHKQMFYGYNTBSW-UHFFFAOYSA-N 418.500 0.865 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CCO1 557287429 WDVHYDXBKRSIAY-CYBMUJFWSA-N 406.826 0.502 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCC[C@H]2C1 562223189 IPXSBSKGRTXREQ-JQHSSLGASA-N 404.492 0.600 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 563627594 AONABNBYLUQRHQ-ZDUSSCGKSA-N 418.397 0.506 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1 564759067 LXVMXKDFAQQYNX-JYRCXFKTSA-N 402.520 0.640 30 20 HCED Cc1nsc(N2CCN([C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 565391951 YHORAMATARHBHV-ZIAGYGMSSA-N 411.553 0.479 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CCN1Cc1ccccc1 565730942 RWMROBTZLCUYOS-IBGZPJMESA-N 420.473 0.164 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2C)CC1 580471656 AWXJQFAJKCXPSJ-QGZVFWFLSA-N 402.495 0.325 30 20 HCED C=CCOC[C@H]1NC(=O)N(Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1=O 583016568 YOHBXMXDIIVUHE-DOTOQJQBSA-N 423.491 0.767 30 20 HCED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 590248382 PHNHBWYEOGSEFM-QGZVFWFLSA-N 403.402 0.548 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC(C#N)C3)CC2)cc1 590487720 CHGLZPMYEDFNDG-UHFFFAOYSA-N 420.491 0.290 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C 592993894 AIXXOTCLSNAZQA-UHFFFAOYSA-N 412.450 0.196 30 20 HCED CC(C)(CO)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 611430771 NXVIRCLYOHHYHA-KRWDZBQOSA-N 405.568 0.845 30 20 HCED Cc1ccnc(NC(=O)CN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 726378182 SRSXVOJVIVIQGL-UHFFFAOYSA-N 415.475 0.916 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 728142489 OLEONLSADLVVBV-UHFFFAOYSA-N 416.453 0.589 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CCC)cc3)C2)CC1 728533214 CZSNAWBDSHPPST-LJQANCHMSA-N 410.518 0.886 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)NC(C)C)CC1 728534172 FFSPMJRIUSMTEE-UHFFFAOYSA-N 416.547 0.811 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2cccc(Br)c2)CC1 728608913 WXQIHILJXKDNAD-UHFFFAOYSA-N 421.295 0.073 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nnc(S)n3C(C)C)C2)C1=O 732168867 KQMMMFLCZMRICS-GFCCVEGCSA-N 420.495 0.831 30 20 HCED CCC(CC)[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1CCOCC1 732444223 JGGXAYOKKHHSHT-RUNIHZNKSA-N 407.515 0.949 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(=O)n(C)c(S)nc3c2)CC1 733150855 YHMYWXWMUPLFPK-UHFFFAOYSA-N 413.503 0.120 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3nnc(Cl)cc3C(N)=O)CC2)cc1 747203406 FAYIZCJUWQOEHU-UHFFFAOYSA-N 406.855 0.611 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)ccc1F 747921493 FOKUGRMRLZZIIA-UHFFFAOYSA-N 412.487 0.312 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1 748744907 YCVLKLQQXXLTHH-INIZCTEOSA-N 407.517 0.736 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(N(C)C)n1 750252465 LFBHHFPHUBKYNH-AWEZNQCLSA-N 408.466 0.794 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2cc(C(N)=O)no2)c1 752683764 CULCYGSTPJTVFO-PXLXIMEGSA-N 420.451 0.908 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 755537807 NMNCRHAWPURGAX-JQWIXIFHSA-N 412.397 0.962 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CSCC(=O)N2CCOCC2)C1 756896071 YUTFBGLXYFSUNS-KBPBESRZSA-N 412.512 0.454 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(CC)s2)c1=O 758077060 NUZIRGOZLXTDEP-UHFFFAOYSA-N 416.528 0.218 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)o1 760378114 ORRHFQKKFLQYLX-UHFFFAOYSA-N 403.504 0.987 30 20 HCED COc1ccc(C(N)=NOCC(=O)NCCCN(C(C)C)S(C)(=O)=O)cc1 762692328 QTTFYKQXBTYBNK-UHFFFAOYSA-N 400.501 0.508 30 20 HCED COCC#CCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 762753374 NUPHPHAYNOTCBJ-CYBMUJFWSA-N 406.254 0.281 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)c(F)c1 766796929 PIBOBGVHCSTDLX-UHFFFAOYSA-N 410.471 0.903 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769641558 PXEXYFQEHIMYJT-UGSOOPFHSA-N 406.464 0.823 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCOCC2)nc1C)c1cc[nH]n1 772414132 PAIJIEBARPHZOQ-UHFFFAOYSA-N 416.438 0.872 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNc2nccnc2C#N)cc1)S(C)(=O)=O 773233369 UTMMEZVEAGQPJI-UHFFFAOYSA-N 411.465 0.565 30 20 HCED C#C[C@H](C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 775388580 URJZXRXKYACZTF-SMDDNHRTSA-N 406.913 0.560 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@](N)(c2ccccc2OC)C(F)(F)F)CC1 776139695 RVFLBPXHIVEEGU-SFHVURJKSA-N 412.412 0.305 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)NC(=O)CC(C)(C)C)CC2)o1 778488270 HUVATVBYNVWEOO-CYBMUJFWSA-N 419.482 0.987 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)CCn3cc(S(N)(=O)=O)cn3)C2=O)cc1 778793593 SGGKNNLLUFHULP-INIZCTEOSA-N 417.447 0.531 30 20 HCED C[C@@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)NC1(C#N)CCCCC1 785661357 YYJIPZWMGGCLCZ-SJORKVTESA-N 420.510 0.441 30 20 HCED CN(C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1(C#N)CCCCC1 786369835 YZKUCBMTHYYZJQ-DTTOXWODSA-N 417.462 0.767 30 20 HCED C[C@@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)NC1(C#N)CCC1 787589824 WESVMHJPVQKWEO-LLVKDONJSA-N 402.363 0.814 30 20 HCED CN1CCC(N2CC[C@H](N(C)C(=O)C(=O)NCCNc3ncccc3C#N)C2)CC1 787757237 CRWYPJMHYKFFGG-SFHVURJKSA-N 413.526 0.108 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 787930888 UESOSJLWLKGLHJ-GFCCVEGCSA-N 412.406 0.769 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC2(CC1)[C@@H](O)C[C@@H]2OCC)c1cc[nH]n1 789981141 KIRRGEKHOGJVKM-GJZGRUSLSA-N 408.455 0.472 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCNc1ncccc1C#N 793186738 GWYDNOOHXSWLRP-SFHVURJKSA-N 400.439 0.097 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796202487 OJCLYYRDJOCPNX-HOTGVXAUSA-N 415.560 0.950 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(F)cc(C(=O)OC)c2F)CC1 796768155 MEHOEKCKUCJIRO-UHFFFAOYSA-N 407.373 0.678 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)n(CCC#N)n1 799265894 OSOQYSMIEQTHDD-UHFFFAOYSA-N 414.388 0.961 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)NC(=O)OC(C)(C)C 804041726 AGBDPMJZRYPOFY-CQSZACIVSA-N 416.482 0.631 30 20 HCED COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)Cn2cnc(C#N)n2)cc1 805230987 QRQYEIPSTHYIKI-LBPRGKRZSA-N 400.395 0.096 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)C(C)(C)C 807537083 ZOQMJLZXALEWEL-QZTJIDSGSA-N 413.474 0.804 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2cnnn2C)C1=O 807939423 OBWJGKNBDPQDPW-CQSZACIVSA-N 402.436 0.812 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncc(C(=O)OCC)s2)CC1)[C@@H]1CCCO1 809309806 RKJUHCIULXPMLW-KBPBESRZSA-N 420.491 0.265 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CCn1ncn(C)c1=O 815270039 KSUIUCPKAQTHCM-CQSZACIVSA-N 401.423 0.859 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 815861643 RTZNSNRKQQLFSX-UHFFFAOYSA-N 408.524 0.727 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nnc(S)n1C 818193359 HOAJJPUJZGGABK-NSHDSACASA-N 408.509 0.391 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)c(F)c1 839357883 KHQQBSNJFLOFEL-UHFFFAOYSA-N 423.473 0.885 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 916870635 LTJQMXGKCHMTGB-AWEZNQCLSA-N 413.521 0.937 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917760409 GAOFNBPRXKXZSN-UHFFFAOYSA-N 417.535 0.537 30 20 HCED CC(=O)NCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918263767 JPCMHVTUGWCFAG-JWGURIENSA-N 423.495 0.080 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CCS(=O)(=O)C1 918754496 KOISSXDTAHSCAH-ZDUSSCGKSA-N 402.494 0.879 30 20 HCED C[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N(C)CC(=O)NC1CC1 919549406 QAXAIEIVNBDEGG-LBPRGKRZSA-N 410.434 0.608 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919667532 XWMPFPMNZLPTJW-AWEZNQCLSA-N 407.448 0.313 30 20 HCED CS(=O)(=O)CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 920593340 SCOGAKRMSRDYDE-CYBMUJFWSA-N 423.491 0.944 30 20 HCED CC(C)N(CCO)CC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1142850757 RWXVPDDJJOVENI-UHFFFAOYSA-N 422.551 0.778 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1252397146 MGEJARRPOZJDPE-YQTDRKPDSA-N 411.480 0.098 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCC1 1288159706 IDIITUZSUZZTTM-QGZVFWFLSA-N 400.531 0.689 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](NC(=O)C3CCCC3)[C@H](C)O)CC2)c1C#N 1296471522 FKHROYYBEFSFQQ-WMLDXEAASA-N 402.499 0.305 30 20 HCED N#Cc1ccc(-c2cc(N3CCN(C(=O)C4=NN(CCO)C(=O)CC4)CC3)n[nH]2)cc1 1300414568 QEESMXIFYUSBAU-UHFFFAOYSA-N 421.461 0.568 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 1318042017 UTWVZWWTYAGOCW-BBRMVZONSA-N 412.446 0.567 30 20 HCED Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cnn1-c1ccc(O)nn1 1319137246 CWJJHVMRRDEWAZ-GFCCVEGCSA-N 405.422 0.689 30 20 HCED C=C[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1325635474 PVHNYZPVWMITKP-CYBMUJFWSA-N 414.480 0.656 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2=O)cc1 1337873977 ONXMCQWXNUJFLY-DOTOQJQBSA-N 424.461 0.826 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(N3CCCNC3=O)CC2)cc1 1340930610 UNENHLOUVLSFPD-UHFFFAOYSA-N 404.492 0.879 30 20 HCED C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCNS(C)(=O)=O)C1 1510293616 STCIZFMCQDQZKE-GOSISDBHSA-N 403.512 0.943 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1517399724 VPUUDBGFSWCLRF-HNNXBMFYSA-N 404.496 0.837 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1517602009 ZZVXBTDWNUHFKL-HXUWFJFHSA-N 411.466 0.567 30 20 HCED COCCN1C(=O)c2ccc(C(=O)Nc3c(C#N)c(C)nn3C)cc2S1(=O)=O 1538615532 TYMMIHDTOCRKKO-UHFFFAOYSA-N 403.420 0.643 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@H]1C 1545928741 ISJRBVQDVRCJDQ-NVXWUHKLSA-N 419.530 0.646 30 20 HCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)O)CCOC1 1547914292 FFKGTMURIUNHQF-OXJNMPFZSA-N 404.515 0.878 30 20 HCED CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1610101521 LDOWTLXOSDFOPW-SFHVURJKSA-N 408.510 0.965 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1616924082 MRGXZGBACHINGC-IRXDYDNUSA-N 422.555 0.958 30 20 HCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N3CC[C@@](O)(CC#N)C3)cc2)CC1 1623039355 JVGRLCSBGXQQSN-NRFANRHFSA-N 414.510 0.779 30 20 HCED N#Cc1cn(CCNC(=O)c2cnc3ncc(Br)cc3c2)c(=O)nc1O 1630030831 XSRQOINZJHWQOR-UHFFFAOYSA-N 415.207 0.956 30 20 HCED COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730732953 CCEUKXOELALLQN-WMZOPIPTSA-N 403.531 0.537 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778721118 DHVTXEUPYDKDJP-OYHNWAKOSA-N 411.458 0.412 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1781270759 VQFJZBWLBPYUEI-AYMMHLMVSA-N 419.522 0.666 30 20 HCED 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20 HCED C=C(C)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 427050852 CZHCEDWUUDUHFG-UHFFFAOYSA-N 410.496 0.404 30 20 HCED CC(C)CN1C[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CCN2C1=O 427353941 DPWGTURZUDVEAL-OAHLLOKOSA-N 415.498 1.053 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 438660834 LDZPPMALYXEUFA-UHFFFAOYSA-N 409.402 0.774 30 20 HCED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 441508110 ZEQUBDXZAPNSSM-CXAGYDPISA-N 404.492 0.600 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443095248 RGXBIFXQSMLPIE-NSHDSACASA-N 402.454 0.559 30 20 HCED Cc1nc(=NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)n(-c2ccc(C#N)cc2)[nH]1 443419303 RAICTQXVDARYKG-UHFFFAOYSA-N 423.458 0.861 30 20 HCED CN(C)CCn1nnnc1SCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 444407780 POZZURRQPCRRKP-KRWDZBQOSA-N 414.539 0.736 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F 445139253 QYKZWFWCKULFHI-UHFFFAOYSA-N 412.368 0.885 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)n1 447479292 OMAWNYVYTSHPHS-ZDUSSCGKSA-N 402.361 0.935 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]2CCCO2)n1 448387459 OGVPKAXHTYWNNW-DZGCQCFKSA-N 403.826 0.992 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)NCCc2ccccc2)cn1 460614040 ULQRIIBPKSYNKL-UHFFFAOYSA-N 417.429 0.553 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCn2c(O)nc3ccccc32)cn1 460703403 RCVUVQBLWPQAPB-UHFFFAOYSA-N 416.401 0.949 30 20 HCED COc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1N1CCNC1=O 460904275 YIDNCBGUXPOZAB-UHFFFAOYSA-N 401.467 0.913 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 460936607 ZJRFSSRSGOKBNF-CHWSQXEVSA-N 405.546 0.478 30 20 HCED COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 463120955 UJGGAQORWOLUPM-BXKDBHETSA-N 407.370 0.835 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCNC(=O)C3CC3)ccc21 470798024 QWPHEHVOIFCXEF-UHFFFAOYSA-N 411.462 0.850 30 20 HCED COC(=O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 476900482 GRMXDRHFBGOTJA-MRXNPFEDSA-N 413.434 0.080 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 477145809 XMTXDUHSPNXHMG-RYUDHWBXSA-N 402.454 0.605 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OCC)c2ccc(OC)c(F)c2)C1=O 479166502 SBBWYTARZSBCCP-OAHLLOKOSA-N 421.381 0.532 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481220783 LZXSTHFOMOYKRN-CJNGLKHVSA-N 424.548 0.995 30 20 HCED CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 482826882 NFADSRSULZJKNY-RHSMWYFYSA-N 422.507 0.225 30 20 HCED Cc1nc(CN2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)no1 485927960 XHCUVKJINAJAER-UHFFFAOYSA-N 418.479 0.446 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H](O)CN3CCOCC3)C2)n1 497022537 WRGYXXBFXNZMRN-RTBURBONSA-N 401.511 0.630 30 20 HCED N#Cc1ccc(N2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)nc1 497487570 CXWNIGYUSMOJJE-UHFFFAOYSA-N 414.491 0.751 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)cc1 498687735 VLTSFOAKAPPUIH-HOTGVXAUSA-N 422.507 0.463 30 20 HCED COCc1cnc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 499461656 ZXJYAXSLEIUMFO-NSHDSACASA-N 401.452 0.627 30 20 HCED Cc1c(C(=O)O)cc(Br)cc1S(=O)(=O)NCCn1cnc(C#N)n1 505828148 TZGVJCWOCQLDCK-UHFFFAOYSA-N 414.241 0.897 30 20 HCED C=CCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508840262 KIRSCWKYTAVFCM-UHFFFAOYSA-N 424.505 0.947 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 510238689 GXENUOAUGXAYHX-JKSUJKDBSA-N 423.543 0.350 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(OC(F)F)cn1 516106164 MDALBCMYBJKBHZ-UHFFFAOYSA-N 407.381 0.567 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1=O 523412173 JRRMJFINMWKCQN-UHFFFAOYSA-N 421.413 0.927 30 20 HCED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)n(CCC#N)n1 533026237 SYUQUITUISZUOF-UHFFFAOYSA-N 410.481 0.200 30 20 HCED C=CCNC(=O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 538594627 FJXHLWNIWCUIEC-QGZVFWFLSA-N 407.492 0.851 30 20 HCED CN(CCC#N)C(=O)CCN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 540052177 MXDUYTORLVTTRA-UHFFFAOYSA-N 414.466 0.140 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 545297081 YYEVHJRJEZWYNN-CYBMUJFWSA-N 420.433 0.680 30 20 HCED Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 546563284 IKUZFBBRNRMWDH-OAHLLOKOSA-N 400.439 1.466 30 20 HCED CS(=O)(=O)Nc1ccc(OCCNC(=O)C(=O)Nc2ccc(C#N)cn2)cc1 550578387 IAFCNYCCJWDNEL-UHFFFAOYSA-N 403.420 0.458 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)nc1 550763461 GFUIJYLINAKGRR-KRWDZBQOSA-N 407.430 0.478 30 20 HCED C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1cccc(C#N)c1 550979382 WZAGARGARQNOFX-KRWDZBQOSA-N 406.490 0.896 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccnc(-n4cccn4)c3)CC2)n1 556015090 IPAGVCMZNPQEGY-UHFFFAOYSA-N 416.445 0.499 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN4CCCC[C@H]34)C2=O)cc1 560021879 JZXPCUYJBIVSPH-CEXWTWQISA-N 409.490 0.518 30 20 HCED COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 561976119 MTOSTYQAHKPDQP-KRWDZBQOSA-N 411.462 0.959 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 563699439 WNQSLGMAGQCPHU-ZWKOTPCHSA-N 413.522 0.428 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@H]2c2cccs2)n1 565337369 ZKBJAUIWTGOCAT-MRXNPFEDSA-N 421.442 0.839 30 20 HCED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 572517788 JJJHIPZXSZIHRQ-FXAWDEMLSA-N 414.506 0.903 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)ccc1F 577788477 FLHWSZCYWRJKEN-UHFFFAOYSA-N 420.422 0.869 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 579995760 DXTGQCVPRBVLCL-LBPRGKRZSA-N 419.511 1.107 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(CC(=O)N3CCCCCC3)CC1)CC2 580103040 VSDJQUPSCUONCC-UHFFFAOYSA-N 423.517 0.994 30 20 HCED CCc1noc(CC)c1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 582207108 LXUDBGIHCKETGA-UHFFFAOYSA-N 413.482 0.678 30 20 HCED CC(C)N1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 585686587 GSGICUWETMGKMK-IBGZPJMESA-N 411.506 0.764 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCN1C 588224610 WXSCQLAVVKTUJK-UKRRQHHQSA-N 400.483 0.671 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc2c(c1)OCO2 609765402 UFEHUKXHOCCWPF-UHFFFAOYSA-N 411.464 0.938 30 20 HCED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1 609812183 ARBYIQYXGIJWDT-UHFFFAOYSA-N 416.459 0.738 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 610808254 BVAANKKNMPIDOM-WMZOPIPTSA-N 419.551 0.463 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 610838305 XRGGYLLKTRXEGG-XJKSGUPXSA-N 411.480 0.650 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 611073274 SISOJFZBPMXYBI-CYBMUJFWSA-N 422.511 0.537 30 20 HCED N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611653515 BWYHDIALHHAQRM-ABHRYQDASA-N 408.436 0.527 30 20 HCED CC(=O)NCCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 726106847 VNECFIKYAXFLGU-UFIXSJTLSA-N 403.508 0.729 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(F)c2F)c1=O 730803424 QODNAAFFABMGTI-UHFFFAOYSA-N 405.426 0.616 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 740827094 CBZHUMRYKBNOIB-LBPRGKRZSA-N 411.505 0.622 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1CN1CCOCC1 742760731 DLNFHVMZDIGMHV-HNNXBMFYSA-N 406.508 0.438 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCS(C)(=O)=O 743727988 IMZJRNRUDYRRDN-UHFFFAOYSA-N 419.484 0.147 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 743913959 IWOCZEWHEHFEFU-AWEZNQCLSA-N 404.442 0.480 30 20 HCED C[C@@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)Nc1ccccc1C#N 746940739 BCNQAPSABKVIES-LLVKDONJSA-N 407.386 0.688 30 20 HCED C[C@@H](ON=Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749257568 KOAZLXRVNWKDIA-QAPCUYQASA-N 409.508 0.908 30 20 HCED O=C(O)CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2cn(CC(=O)O)nn2)c1 759074397 CWXGSGBCUCXHEZ-SNAWJCMRSA-N 408.392 0.012 30 20 HCED C#C[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 767257967 OJBYVWYCRWQIOJ-MRXNPFEDSA-N 421.519 0.638 30 20 HCED CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 767752967 XWVXYQPLCFYHOV-STQMWFEESA-N 405.473 0.514 30 20 HCED COC(=O)C1(NC(=O)CON=C(N)c2ccc(S(C)(=O)=O)cc2)CCCCC1 771655077 WYXICSAWFUDSCX-UHFFFAOYSA-N 411.480 0.719 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(Br)cs2)c(=O)n(C)c1=O 771890189 DYPBFFRFGDIGMU-UHFFFAOYSA-N 407.271 0.220 30 20 HCED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774531430 OZZYROOCPTWFNL-UHFFFAOYSA-N 424.526 0.866 30 20 HCED COC[C@@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 776670113 GHYQVEWCRAOUIQ-GOSISDBHSA-N 411.480 0.891 30 20 HCED CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 776716914 WGCFGUBGTQWIKF-UHFFFAOYSA-N 418.519 0.975 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)CC1 776860139 LORFTLXKARZIFV-UHFFFAOYSA-N 402.446 0.456 30 20 HCED C=C(C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 777467889 ODPNSBIHRVPFKB-LVHCJKAXSA-N 410.521 0.846 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CCN2CCNC(=O)C2)C1=O 781102620 HXUXYDQAAYGZQO-MRXNPFEDSA-N 417.535 0.803 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 783347547 OTRUTLZBZFLPMH-UHFFFAOYSA-N 409.508 0.217 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 784692668 ZAQFKUVPKMYLOO-GOSISDBHSA-N 407.448 0.519 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1 785767514 OSNTVAAKDGMENC-KRWDZBQOSA-N 410.430 0.978 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)n1 788243289 LDMPFKQZIQFTJC-IBGZPJMESA-N 407.540 0.045 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C1CC1 795835075 OALKBVDUPTWTJF-IAGOWNOFSA-N 415.368 0.970 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c(C)c1 796723458 BUVHRHZKRFLDCE-UHFFFAOYSA-N 410.434 0.553 30 20 HCED N#Cc1ccc(OC(=O)CN2CCS(=O)(=O)CC2)c(I)c1 798583687 SYVVNASDODOBHV-UHFFFAOYSA-N 420.228 0.799 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(C)c1nccs1 801287999 LXFUYCSVIMIHTJ-NSHDSACASA-N 408.461 0.888 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 804390571 BVONYGLNSQLWRF-JQWIXIFHSA-N 405.398 0.744 30 20 HCED C#CCSCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806911108 UOMAEERCGVPGRS-GJZGRUSLSA-N 401.488 0.505 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 807335176 DSTUTKZSXLUVCD-LJQANCHMSA-N 409.490 0.905 30 20 HCED CN(C)CCN1C(=O)C(=NNC(=S)NCCN2CCOCC2)c2ccccc21 807947377 SOTUQZQJTWCEKX-UHFFFAOYSA-N 404.540 0.095 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)c1 808076298 AVNLHAYWDDVXLD-MRXNPFEDSA-N 416.503 0.383 30 20 HCED C[C@@H]1C(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCCN1Cc1ccccc1 814883613 TYJISWZTVIQPSU-CQSZACIVSA-N 419.507 0.403 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1F 816813998 DZZIPMBGXLOCSG-ZDUSSCGKSA-N 419.500 0.396 30 20 HCED CCN1CCN(C(=O)[C@@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 916605001 VCDFGRGWPJVIHL-CQSZACIVSA-N 422.507 0.211 30 20 HCED Cn1c(=O)c2cc(C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)n(C)c2n(C)c1=O 920605104 LXABLCGLCZHFQQ-MRXNPFEDSA-N 421.413 0.410 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 993606188 QDOXACWRZJSZJL-WWQSBEOESA-N 420.473 0.768 30 20 HCED COC(=O)CSCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116064489 VALOKTSWXUIPRX-AWEZNQCLSA-N 404.448 0.786 30 20 HCED N#CCCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 1119312586 KIZOOQHZYUTIEE-UHFFFAOYSA-N 418.523 0.627 30 20 HCED NC(=O)[C@H]1CCCN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C1 1251902864 UJWQTXACLNWFQL-OBAOGOGRSA-N 411.462 0.645 30 20 HCED CCn1c(=O)c(=O)n(C[C@@H](C#N)CCC#N)c2cc(S(=O)(=O)N(C)C)ccc21 1317809954 VOKJKOJDUJYLKZ-CYBMUJFWSA-N 403.464 0.877 30 20 HCED COCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1318339359 SBSXOGXABFXTHY-NVXWUHKLSA-N 405.476 0.573 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1839223889 BIILYACRYPOXFE-UTKZUKDTSA-N 418.494 0.881 30 20 HCED CNC(=O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450837 JZRKWGKEMSOHGN-NRFANRHFSA-N 414.462 0.073 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Br)c3)C2)C1 1839808946 LPNHQTMCIXAQGU-QGZVFWFLSA-N 408.252 0.547 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840159939 RQGFMTZKAWEEDT-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1840293966 FIEIGPGWCDHOTF-NRFANRHFSA-N 401.463 0.584 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3ccnc3)CCO2)C1 1840428332 HVNCKNRIFXTXQO-HLIPFELVSA-N 424.567 0.930 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840782323 UKVMXGLEPXBCPT-FQEVSTJZSA-N 405.426 0.692 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)CCC1 1840813008 YDFIEWQNDZMMMT-UWJYYQICSA-N 413.478 0.232 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1845254401 QKGJJDDHYPVOGK-CQSZACIVSA-N 412.450 0.707 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845772930 XZGCGWKLZWNILP-UHFFFAOYSA-N 404.423 0.274 30 20 HCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847110424 JBZLVIPBLMNMRA-AWEZNQCLSA-N 423.514 0.718 30 20 HCED CC(C)NS(=O)(=O)Cc1ccccc1CNc1c(C#N)c(=O)n(C)c(=O)n1C 54369580 GEEGFNOJSIKNFN-UHFFFAOYSA-N 405.480 0.396 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCC/N=C(\N)NCCCN2CCOCC2)CC1 303864539 BAFVHPJLAQAXQB-UHFFFAOYSA-N 412.579 0.556 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)CCC#N)CC2)cc1 410214489 HZNQIWOXMRPVQU-UHFFFAOYSA-N 422.507 0.680 30 20 HCED CCNC(=O)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 432453765 CSYMQFIULZTMPB-KRWDZBQOSA-N 421.523 0.735 30 20 HCED Cc1c([C@@H]2[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC(=O)N2C)cnn1C 432989058 NTQJKTMCMDFNNK-OHNRDTAOSA-N 422.493 0.647 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H]2C[C@H](N(C)C)CC[C@H]21 437753502 CBEPULWRVUZLFY-RGIVZKHGSA-N 420.535 0.935 30 20 HCED Cc1cc(NC(=O)C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1CCC#N 442492950 GYCBXZUTNHYAOX-QFIPXVFZSA-N 424.505 1.139 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(C)(C)O)[C@@H](C)C3)CC2)o1 444802085 LWEUFHGKJDXMCA-HNNXBMFYSA-N 404.515 0.280 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 445166970 QGZRYRLFSODFMF-UHFFFAOYSA-N 421.461 0.857 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCN(c2ccccc2C#N)CC1 445840582 JDOHULHWOXLJTM-OAHLLOKOSA-N 416.507 0.697 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460574635 LAZKIBOGVBRKBA-ZFWWWQNUSA-N 409.450 0.841 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H](C)S(=O)(=O)C3CCOCC3)CC2)c1C#N 461193265 HPIBEJNRBRRFDB-CYBMUJFWSA-N 412.537 0.954 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(N)=O)c2)c1 464151582 IQBOBQTXBIVJJS-UHFFFAOYSA-N 403.460 0.945 30 20 HCED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 467314026 SBZFHEBTTQCPFT-LLVKDONJSA-N 421.866 0.981 30 20 HCED CC1(C)CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 471271098 AHEWNYZXMXXDCT-FGZHOGPDSA-N 414.554 1.000 30 20 HCED N#Cc1c(CCCNC(=O)[C@@H]2CN3CCCN2CC3)nn(-c2ccc(F)cc2)c1N 479316355 MMQYMITWGWJTCP-IBGZPJMESA-N 411.485 0.904 30 20 HCED C[C@@H](CC#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 481218158 IEAIHOFDQAPPJK-AWEZNQCLSA-N 410.471 0.857 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 481814659 VLJUZIQEXFVJLE-WBVHZDCISA-N 408.524 0.794 30 20 HCED CC(C)N1CCC(O)(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 483093053 VKWDFMIJRSAOEP-OAHLLOKOSA-N 408.524 0.577 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)C[C@@]12C(=O)Nc1ccccc12 488100293 LPFGBQPQUVAKCN-KSFYIVLOSA-N 417.473 0.471 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C 501220003 WMGJCUMDPDCXQL-UHFFFAOYSA-N 401.488 0.501 30 20 HCED N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 502918883 BTPBIWSNSSTFBN-IAGOWNOFSA-N 421.544 0.943 30 20 HCED C=CCc1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(OC)c1 503116390 BMHKPWZVZGWXDU-SJORKVTESA-N 424.519 0.417 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(C)c1=O 512790436 MONIZLCCLYRLRF-UHFFFAOYSA-N 408.439 0.778 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 517542656 WGEDLRHBXSUAGT-UHFFFAOYSA-N 405.458 0.883 30 20 HCED CN(CCCNC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 522166951 LFTXHNIYCFUXJB-UHFFFAOYSA-N 421.567 0.464 30 20 HCED CC(C)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 524183425 ICDALSBGTACWQC-QGZVFWFLSA-N 419.507 0.583 30 20 HCED COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 526097351 MMGQAAVTUUUNSP-UHFFFAOYSA-N 414.422 0.688 30 20 HCED C=CCNC(=O)NC(=O)CN1C[C@H](CC)N(CC(=O)NC(=O)NCC=C)C[C@@H]1CC 533395151 LHVNNUSAJHKQEX-HOTGVXAUSA-N 422.530 0.185 30 20 HCED COC(=O)CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 539342545 FOPHAXZTCBFRHV-OAHLLOKOSA-N 422.507 0.275 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)nn1 556019619 XHEBBHVBSZFCJL-UHFFFAOYSA-N 421.211 0.340 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)CC1 557732838 DSLBZFTVDKJPIH-UHFFFAOYSA-N 400.523 0.976 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C[C@H](C)O)c2ccccc2)CC1 583960659 NSIBCTNARIYFNQ-PKOBYXMFSA-N 416.522 0.104 30 20 HCED CN1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654466 OKOURRVCKQMZQE-HKUYNNGSSA-N 410.522 0.981 30 20 HCED COC(=O)C1(CS(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCCC1 589226811 HAKRYFSMBGZVRF-CQSZACIVSA-N 407.496 0.922 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCCSC 590995034 COUZZASPIZZPGH-UHFFFAOYSA-N 403.529 0.921 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(C#N)cc1 604143438 XJYDWSMLYGZTAH-NSHDSACASA-N 406.402 0.320 30 20 HCED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 609214302 VTYHOSXRULTDHY-RTBURBONSA-N 410.522 0.935 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ccncc4)CC3)n2)cc1 610531319 LRCZXAFPXGYLJE-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 610793728 RMOSYPOLPKEOLZ-AWEZNQCLSA-N 421.523 0.806 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 613156679 CTALBJMBLWFKEP-YJYMSZOUSA-N 408.422 0.981 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)CC1 613411735 MDYYWUTXFHIMRJ-UHFFFAOYSA-N 406.556 0.865 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OC(C)(C)C)n2)CC1 673383415 AFBBRYIQLYLSLE-UHFFFAOYSA-N 417.510 0.322 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCCc2ccc(OC(C)C)cc2)CC1 728571201 YEHJHNSYKPCZLW-UHFFFAOYSA-N 400.523 0.500 30 20 HCED C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 733889139 PDDASTDXHYZCBO-KEVMXDQOSA-N 402.498 0.376 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 753881295 KVLOHQQNCPGPDY-OAHLLOKOSA-N 406.508 0.479 30 20 HCED CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 755722950 SIZAEPOEOHFLBN-HXUWFJFHSA-N 408.466 0.624 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 756886692 OZCSVIWVCWWDOD-YPMHNXCESA-N 412.468 0.818 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756890046 AVMAUZBFWKYKOM-KGLIPLIRSA-N 418.516 0.206 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3cccnc23)c1=O 758090248 OXFGKTFEZBEPKN-UHFFFAOYSA-N 418.478 0.357 30 20 HCED CCn1cc(C#N)c(=O)n(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)c1=O 758207548 AFSFJAJRAYFFIE-GOSISDBHSA-N 413.478 0.093 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758481672 UKNHPAIIJGKGKA-GDBMZVCRSA-N 422.530 0.597 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@H]2CCOC2)CC1 771038950 LYFPRHITWWMNSV-INIZCTEOSA-N 420.535 0.875 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(N(C)C(=O)OCC)CC1)c1cc[nH]n1 772196582 BAROLNZZJPYJIU-UHFFFAOYSA-N 409.443 0.773 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)n2)cc1 774494262 BJSNFIYDIOUKKZ-MRXNPFEDSA-N 410.434 0.938 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c1 775109941 VQENAVZJHSMYNG-UHFFFAOYSA-N 415.425 0.684 30 20 HCED CNS(=O)(=O)CCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 777083887 QCTVCNPIRLFUMK-AWEZNQCLSA-N 408.436 0.246 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 783346583 GBXYLVUPUDPYQF-IYBDPMFKSA-N 423.535 0.951 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(C(=O)NCCC)c1)[C@H]1CCS(=O)(=O)C1 783476536 WFHAGBKRLILZEG-INIZCTEOSA-N 405.476 0.414 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 784221807 GXPMDSUTOWAMEE-CQSZACIVSA-N 421.441 0.530 30 20 HCED C#CCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 784603841 MIBNNBSNYIDECS-UHFFFAOYSA-N 412.464 0.104 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCCCS(=O)(=O)c1ccccc1 787777847 MNIKJZVOLIBHEA-UHFFFAOYSA-N 415.475 0.462 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc[nH]n1 789979414 GDXKFMIYESMYCQ-CQSZACIVSA-N 417.397 0.754 30 20 HCED Cc1ccc(CN2CC[C@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 790333644 OBRWRAKFLZWDGN-NXDJFEHLSA-N 411.462 0.922 30 20 HCED C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 791068943 GASIDZXONRPPLC-AWEZNQCLSA-N 420.491 0.835 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1=O 801286386 ZODGOEQTSXKNTE-UHFFFAOYSA-N 418.457 0.799 30 20 HCED Cc1nc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)co1 801396219 NUEONWHZEVEUHY-UHFFFAOYSA-N 418.431 0.545 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 801760874 HARBANCSVSGXMA-CQSZACIVSA-N 403.526 0.644 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 805092565 NCMJUXQKEUBGLS-UHFFFAOYSA-N 421.504 0.372 30 20 HCED CN(Cc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1)C(=O)C(F)(F)F 807366869 HQRCRKKSHFXZNO-UHFFFAOYSA-N 423.355 0.425 30 20 HCED Cn1nncc1CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 807936857 UAVWLAWEIMSQOS-YGCDDZCOSA-N 413.507 0.922 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 810774607 LBXAGWHBWHCSFH-CLOOOTJHSA-N 403.460 0.259 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 813066252 UPWJATKIKBAGRT-GHXQLAGASA-N 401.398 0.757 30 20 HCED C[C@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)n1cccn1 816127417 SEGOVLGUIHNZPL-LLVKDONJSA-N 420.407 0.187 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)nc1 918392295 YSOGXEBPOIDXKH-GOSISDBHSA-N 421.436 0.861 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 918477842 LYACVFPSCMWIQH-HDHZYAPQSA-N 421.523 0.648 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2C(=O)CCC2=O)c(C(F)(F)F)c1 918534756 RPEFOLCIKLBTCX-UHFFFAOYSA-N 403.338 0.921 30 20 HCED C=CCCOCC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1065709754 ZVPCAXYOFWDTLP-SIFVSHMBSA-N 403.523 0.748 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1115915665 MWZAVYKOBBUYHH-AWEZNQCLSA-N 401.448 0.767 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1251746371 JMQOSBJAMKHADF-ICFOKQHNSA-N 408.436 0.125 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1296308012 SHXIXBXYQRBAOC-UHFFFAOYSA-N 420.481 0.845 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 1310558703 ZVRFISKFESVOQI-OCCSQVGLSA-N 414.509 0.870 30 20 HCED Cn1cc(CNC(=O)N2CCC(S(N)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 1312480571 LRTCNSFXZRWNBU-UHFFFAOYSA-N 402.480 0.921 30 20 HCED NC(=O)[C@@H]1CC(C(=O)N=C2NS(=O)(=O)c3ccccc32)=NN1c1ccc(F)cc1 1317913028 CRCGICJKXAEBCA-AWEZNQCLSA-N 415.406 0.511 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 1321440566 PVJGSUYANQYLBN-SFHVURJKSA-N 418.519 0.414 30 20 HCED CSCC[C@H](NC(=O)c1ccco1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1327641576 TVPFEMSXTFNRJO-ZNZSVTJWSA-N 406.464 0.774 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 1339941809 LNJJWDINQWCXLQ-UHFFFAOYSA-N 409.531 0.614 30 20 HCED COc1cccc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1464037923 VJSPCCGNRXCCHQ-UHFFFAOYSA-N 411.418 0.204 30 20 HCED CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515118274 WIJKSJVHWGUNSS-SFHVURJKSA-N 408.510 0.967 30 20 HCED CN1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1517423838 XVEUSODTDUMVRU-IAGOWNOFSA-N 403.531 0.537 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1521056614 OMPSRNRZBRAHOH-GUYCJALGSA-N 410.475 0.391 30 20 HCED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@](O)(CC#N)C1 1570695480 RZSCKVPWYOWYKL-DNVCBOLYSA-N 423.491 0.105 30 20 HCED Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)c2cnn(C)c21 1618732218 RPULVOVPCMPFAO-KRWDZBQOSA-N 404.430 0.675 30 20 HCED N#Cc1cn(CCC(=O)N[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(=O)nc1O 1643559468 YWILPHGPGLZTBF-UKRRQHHQSA-N 410.352 0.861 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC12COC2 1681433119 CFVDRBZEHCIMMM-ILXRZTDVSA-N 422.482 0.967 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)C1CCOCC1 1686529294 OJXUUSDOPBUNNL-AWEZNQCLSA-N 422.511 0.162 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC1 1712455402 WHLQOBNFACUDOU-UHFFFAOYSA-N 412.498 0.966 30 20 HCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1723665669 JQCMSGPVYDIHIK-AWEZNQCLSA-N 409.516 0.297 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1729620250 MIOFBADNDDMSBH-VFNWGFHPSA-N 411.510 0.702 30 20 HCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1741699027 LFBHGFLTDHQJEX-UHFFFAOYSA-N 419.511 0.327 30 20 HCED CNS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1748292369 KGWQLPXDHNXXSK-CQSZACIVSA-N 416.463 0.969 30 20 HCED COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749319824 RUQYCDCVNAQTBN-RDJZCZTQSA-N 401.515 0.860 30 20 HCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760379461 UNSFXXKNEGXHDR-UHFFFAOYSA-N 418.889 0.740 30 20 HCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)ccc21 1777865665 AESHTNSINKCLGJ-NRFANRHFSA-N 411.462 0.624 30 20 HCED CC[S@@](=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1778820705 IKGDVMNLTOISES-KCWXNJEJSA-N 424.563 0.674 30 20 HCED C[C@@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1779134797 PPOPVJHBGQKBJJ-AUJYZJTISA-N 417.384 0.842 30 20 HCED O=C(CCN1CCOCC1)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137263 KJWKGUYAZYGKEV-XOWGOQOESA-N 418.494 0.251 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1781271491 CKVUBCXQYOVNME-BEFAXECRSA-N 414.524 0.440 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4C(=O)C=CC4=O)CCO3)C2)cc1 1781792353 LYHMXJAABOXIIT-JOCHJYFZSA-N 422.441 0.121 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCn3ccnn3)C2)CCC1 1782566789 GKVPLLDJTKPXDR-OXQOHEQNSA-N 400.483 0.876 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783110249 PYEUXOVPPNCIRZ-YJYMSZOUSA-N 422.507 0.494 30 20 HCED CC(C)(C)OC(=O)CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784137068 IKTIZUWULBQWKY-JYJNAYRXSA-N 422.478 0.566 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1784506334 NKBJUQFOQBSARG-ATZCPQFDSA-N 420.462 0.988 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(C)s3)[C@H]2C1 1785826156 STLGYIYIJQOYJM-PVPAMPSESA-N 418.519 0.903 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787428286 TXSDYFRACLMONQ-PYJNHQTQSA-N 410.496 0.436 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cn[nH]c1 1787614250 LXMVSFMOCRKAIZ-VZHLXOKHSA-N 405.455 0.532 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CO)on3)[C@H]2C1 1789377945 NJCIRZSDTAVLHK-QRTARXTBSA-N 421.450 0.270 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790145226 QTNBIKBLEYTBMP-DSYPUSFNSA-N 412.490 0.871 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21)C(F)(F)F 1790880033 AFKIAYDROPLRMM-GVXVVHGQSA-N 402.373 0.838 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794365819 RVVOADIFXHOELP-BAESOJJISA-N 408.480 0.332 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](N)c1cccnc1 1795682498 ORGWSJPYIDAVNX-STEXWYFWSA-N 416.522 0.634 30 20 HCED O=C(Cc1cscn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795800410 ULBIDUVTKJXQNY-CWPLJXCYSA-N 417.531 0.974 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796398937 FNMLBYIDWOBRMT-UJCHZGTJSA-N 417.510 0.342 30 20 HCED N#CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 1797245961 SNQYBGCPNZSTKM-JTJHWIPRSA-N 412.490 0.391 30 20 HCED Cc1nccn1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797816438 KEWZDKVHYBUMQB-LPCGOZMWSA-N 419.482 0.310 30 20 HCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnn(C)c2)C3)c(C#N)c1 1799237583 SZTYEZCZJZQTSV-RMFSNUHRSA-N 423.473 0.746 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CCOC1)C2 1799305413 HCMZWXFFLFRNIF-LJCCNALRSA-N 408.495 0.902 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1799393415 FFQIXZIXJWWIKH-PNBKFKSVSA-N 414.466 0.733 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc3cc(C)nn3c1C)C2 1800991617 BXYQJQDEDUSGFD-CWPLJXCYSA-N 410.478 0.748 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)NC)[C@@H]1c1cccnc1 1802479682 AUFWAQPBQJUPSZ-UHQZGXGZSA-N 413.522 0.944 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)CCN(C)C)[C@H]1c1cccnc1 1802479806 BUBXEAPFCOUSGA-FPWSIBOVSA-N 413.522 0.898 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@@H]1c1cccnc1 1802482240 LDRCNBOZCJWKEB-KEQDYBPHSA-N 412.490 0.717 30 20 HCED CCCNC(=O)CCC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803448846 XNDDNOZECNQIMA-IIBYNOLFSA-N 414.462 0.482 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1810246847 AUJXWZNCEGJOER-LUKYLMHMSA-N 416.478 0.769 30 20 HCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@H]1c1cccnc1)C(=O)O 1811536973 YTUUBUDZESCGEM-SZVBFZGTSA-N 424.461 0.664 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CS(=O)(=O)CC)n[nH]1 1815171613 ZDEUYEWXKGEAFZ-ZFWWWQNUSA-N 410.496 0.875 30 20 HCED CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819900822 PZNSXYOXUNHPDW-XQKIYHOTSA-N 423.495 0.720 30 20 HCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](O)N3CCOCC3)[nH]n2)CCC1 1823378532 LYEQQZFDIGWCTF-NVXWUHKLSA-N 416.482 0.746 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3[C@H]4COC[C@H]43)sc2C1 1827374344 DRDGUYCZOAEZEX-ZKJWYGQHSA-N 416.503 0.806 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C3)C2)C1 1829661342 WFSCLVSTQHFLOW-DNVCBOLYSA-N 414.524 0.090 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3S)CCO2)C1 1829792437 XFTLWXNRKIJRBT-YWZLYKJASA-N 419.503 0.479 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)cc1 1829908159 CZZILRQAPHHDSJ-JOCHJYFZSA-N 411.458 0.536 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCCO3)CCO2)C1 1829911662 OCJIKGDJJOZMPJ-TXPKVOOTSA-N 400.541 0.966 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830039143 QNJODZGULLXGNJ-NRFANRHFSA-N 424.542 0.706 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1830050474 SFPHKNWPCSVMTD-IBGZPJMESA-N 404.492 0.990 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@@](=O)CC)C2)C1 1831426375 KTCMJKGBPLTBLH-RCAOJXLUSA-N 416.540 0.193 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1831483213 MQUGRWZTOKIREO-YZVOILCLSA-N 402.557 0.804 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831485014 KVXFETWKPIVLIV-VQIMIIECSA-N 410.540 0.753 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833146108 BUOXDXPCLPPZAW-OAHLLOKOSA-N 403.527 0.634 30 20 HCED CN(C)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nc1 1833645905 RFNIBSGNQARQAW-NRFANRHFSA-N 413.478 0.521 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C(C)=O)[nH]n4)CCO3)C2)C1 1833818243 KPJHPSAECSQUKG-HXUWFJFHSA-N 402.451 0.649 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1833834427 YYXAUQZPHWYSGA-NRFANRHFSA-N 423.429 0.438 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N(C)C)o1)CCO2 1833898514 QHBYBDIVYRSBOG-IBGZPJMESA-N 424.523 0.730 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1834125846 WMPWEDVAYDGNQT-NRFANRHFSA-N 402.495 0.992 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834150677 GELMJNZBYAMSJQ-FUNKKEAFSA-N 405.455 0.216 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834305861 DRFQRBYOTNLSIY-JXFKEZNVSA-N 404.467 0.120 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834316256 LLWIQOHNNDOYLJ-OXJNMPFZSA-N 407.467 0.626 30 20 HCED COc1ccc(OCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834754216 ZQNXSIOGXMROLJ-HXUWFJFHSA-N 403.435 0.444 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)N1CSCSC1 1834761211 SZIOXWNYOQGJEI-WMLDXEAASA-N 414.553 0.399 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834769521 KDWFQMNPFBQZKV-BGJVTSJYSA-N 410.467 0.153 30 20 HCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834875899 MCJPWWHOFWPEKT-UHFFFAOYSA-N 411.457 0.456 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2)C(F)(F)F 1835798137 MPVYQISUHKWLTP-OAHLLOKOSA-N 420.413 0.914 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836030134 OTKOGRIVHAAWEK-IERDGZPVSA-N 419.453 0.258 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1837561529 RENOKGIIPHUAHC-HBRDKIMXSA-N 401.423 0.192 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837563670 TULYJBDBJDWION-GTGCGAGLSA-N 411.405 0.810 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376021 SXOPWVKYFAZPDF-LIRRHRJNSA-N 421.454 0.053 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3nccn3)CC2)CC1 1838385301 UCIXPTYNUJUKPZ-SFHVURJKSA-N 419.526 0.850 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838649836 NRVXCUINBAROGE-IERDGZPVSA-N 419.478 0.430 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCOCC4)C3)C2)c1 1838734710 HZRGVEWKLXOQLD-FQEVSTJZSA-N 402.451 0.383 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c1 1838905431 FNTNHJUDBVCBSF-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839173231 FWQUKJZJADWTPY-UWJYYQICSA-N 423.510 0.046 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)n1 1839362506 XIEBNDRSXGGCMG-NRFANRHFSA-N 424.461 0.265 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420297 AGOSIEYALGRRRW-RXVVDRJESA-N 418.469 0.765 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)CC=C)CCO2 1839838010 FBEHGRIXIXTWGS-UXTXJKSZSA-N 405.495 0.513 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839845450 PHKIFLABOIBIOX-OXQOHEQNSA-N 404.467 0.524 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=C)C(F)(F)F)CCO2)C1 1839893170 QQYKFOGCJJJWOQ-SUMWQHHRSA-N 419.400 0.252 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1840166326 CMIISOCOROLVDM-NRFANRHFSA-N 407.511 0.553 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840366685 XQAIFTCZNAGSOT-IIBYNOLFSA-N 400.479 0.384 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)n1cncn1 1840419888 TWGKXYMBIZVAMN-IERDGZPVSA-N 424.461 0.481 30 20 HCED O=C(COc1ccc(O)nn1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302846 QSLWRSYDEIPTQS-SVYXSEEQSA-N 419.438 0.293 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1 1845146939 WCEOIBHXPZBMIH-CQSZACIVSA-N 407.467 0.670 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1847809221 BXGWUVYGKKBVRP-OQUILHJVSA-N 416.478 0.786 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847828910 NCKFBHZXSFPUES-HEHGZKQESA-N 408.480 0.913 30 20 HCED COCCn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 47876261 VHNMWZCQOGAUMP-UHFFFAOYSA-N 418.479 0.940 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCCN(CC)S(C)(=O)=O)ccc1F 108672296 XGYVXSFJOTYYGI-UHFFFAOYSA-N 421.516 0.691 30 20 HCED N/C(=N/OCC(=O)N[C@H]1CCS(=O)(=O)C1)c1cccc(OCc2cccnc2)c1 109807885 MUEOFKMSJUHPSN-INIZCTEOSA-N 418.475 0.601 30 20 HCED COc1ccc(OC)c(NC(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 148767921 USYVGOIDBSHKQU-UHFFFAOYSA-N 417.466 0.929 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 410112261 AZEQFBLXKDWNQP-KRWDZBQOSA-N 422.507 0.559 30 20 HCED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 410134541 AQWJKNOXXRRDMD-WMLDXEAASA-N 403.468 0.680 30 20 HCED CNC(=O)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 429383232 XWUKTZXRKLFGEC-INIZCTEOSA-N 407.496 0.345 30 20 HCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430392790 YJBHYFPOIMVEEG-UHFFFAOYSA-N 400.435 0.916 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 430392938 KHMGSHYNYCRUFU-KCITZHQASA-N 421.517 0.888 30 20 HCED Cc1c([C@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cnn1C 431208731 PMPMMWKPGUCKTP-VQIMIIECSA-N 407.478 0.863 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl 441204165 NESTZLDNGGRCLM-AWEZNQCLSA-N 408.842 0.970 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3cccc(-n4ccnn4)c3)n2)cc1 441428376 YWMXOPVLBQJWGO-UHFFFAOYSA-N 413.401 1.356 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCC[C@H]3[C@@H]3CNC(=O)C3)n2)c(F)c1 442378095 HZBGSGVIUVCDCR-HOCLYGCPSA-N 424.436 1.339 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(Cc3cccnc3)CC2)cn1 460620496 OZRFRFSUENOQJB-UHFFFAOYSA-N 416.445 0.817 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CCOC[C@H]1C#N 467782234 ANJYPLAIVASVCW-MRXNPFEDSA-N 417.491 0.820 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 473388962 OEVZDXQZMNTPSN-RBUKOAKNSA-N 410.474 0.899 30 20 HCED C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 475598161 ZTSAWCGLUJXTKM-KBPBESRZSA-N 405.542 0.319 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 480926119 IDOLYZSLVKQAPI-NSHDSACASA-N 405.501 0.315 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n(C)c1 484782147 DUGLGFCQWPHARM-UHFFFAOYSA-N 402.480 0.504 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)C2=O)cc1 486635865 CKFPKIUNBPCCRT-WMZOPIPTSA-N 415.475 0.796 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cs1 488911924 KIOSQIGALQNWGS-UHFFFAOYSA-N 410.525 0.414 30 20 HCED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502316456 UTMLRVNMLBBUIS-SJORKVTESA-N 412.556 0.844 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 503929535 RHVLNXUTXRXEFO-MRXNPFEDSA-N 407.496 0.681 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](C)[S@]1=O 507754950 KGMWGPIFQWXTLU-MDEKPVRISA-N 414.491 0.895 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C 507791731 FIEOMNRANPRHIX-WBVHZDCISA-N 423.477 0.708 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508937990 FMLSTTNASAOUCZ-ZDUSSCGKSA-N 423.437 0.941 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1C 515335714 HNVRIOMMULWLBW-UHFFFAOYSA-N 422.488 0.740 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c(OC)n1 516608778 WIAYIOHPOCCILX-UHFFFAOYSA-N 407.390 0.806 30 20 HCED N#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 523005234 LTVVRACTMDJYHN-UHFFFAOYSA-N 407.496 0.399 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 523451880 VSEAOYHTXXTJNV-UHFFFAOYSA-N 421.505 0.623 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 523743224 CGVFTDSVIGHDEZ-UHFFFAOYSA-N 419.528 0.370 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)n(CCC#N)n1 532996882 ZNYSNBKHJDHCJI-UHFFFAOYSA-N 424.509 0.767 30 20 HCED Cn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CC2 540549970 RBLBDRIFQZMDAB-HXUWFJFHSA-N 424.480 0.687 30 20 HCED N#Cc1c(CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)nn(-c2ccccc2)c1N 542772809 HAARMWOSALKFGG-UHFFFAOYSA-N 403.406 0.420 30 20 HCED C=CCN(C(=O)Cc1ccc(S(=O)(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 545384075 MIWJQCHKOQGVGL-OAHLLOKOSA-N 400.522 0.729 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CCN1Cc1ccccc1 554698981 JKKLSTIMGFCYFV-OALUTQOASA-N 400.479 0.535 30 20 HCED Cc1ccc(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 558301084 PYCRFTLMYFEZQL-CQSZACIVSA-N 413.521 0.694 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 559782369 YKJMBRSDZQRLPA-UHFFFAOYSA-N 420.473 0.377 30 20 HCED N#CCC[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 561268560 PGUNRVMCUBMUBP-SWQDORGXSA-N 410.434 0.895 30 20 HCED COc1nnccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 561388046 PMIMBDAJXVZYIQ-UHFFFAOYSA-N 402.436 0.895 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 564320022 SUGKBLTVVQLYSQ-MRXNPFEDSA-N 424.523 0.005 30 20 HCED CCCCN(C(=O)CN1CCN(c2cnccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 572673377 RIIXWFLHNBCCBI-GOSISDBHSA-N 419.551 0.891 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCOc2ccc(C)cc2)CC1 576130797 XBZWMNUIVALWHB-UHFFFAOYSA-N 402.495 0.327 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 576563949 WOXDBVCGJQDCRV-UHFFFAOYSA-N 410.908 0.139 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](CO)Cc2ccc(F)cc2)cc1 578267347 GYYTWYJGYRQSEL-MRXNPFEDSA-N 405.451 0.943 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OC 581981602 JAKMUCKHBPIHID-ZDUSSCGKSA-N 402.407 0.386 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC(=O)NCC(F)(F)F)CC1 604127712 HKJMQVOAOMLZEO-UHFFFAOYSA-N 400.361 0.934 30 20 HCED COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccn1 610810135 YWDBFEMEQHCZAH-MLGOLLRUSA-N 402.432 0.651 30 20 HCED N#CCCN1CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 611175836 LGJYCYRHRHPMEN-UHFFFAOYSA-N 408.524 0.618 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CCO1 619710534 ACBFCHNUVTWYCX-IAGOWNOFSA-N 414.915 0.460 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cccnn2)CC1 685534750 PNVRMJACVIZNMK-CQSZACIVSA-N 406.516 0.581 30 20 HCED C[C@@H](CC(=O)NCCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742490122 OJJGVQPDYVUBHK-HNNXBMFYSA-N 407.540 0.257 30 20 HCED C[C@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745439323 AUTXEIYFTFCTGB-VJDWVQAOSA-N 417.462 0.765 30 20 HCED CCS(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 748084266 QJFKKKOGPDJXOY-CQSZACIVSA-N 403.464 0.479 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749634388 UKTDTJPMAWUYMP-ZDUSSCGKSA-N 410.521 0.495 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1 756896155 ZRACVAIRTBMFCK-CENXUZMRSA-N 405.455 0.582 30 20 HCED C#CCCCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 759191590 LKBQLOXCFRJBFP-GOSISDBHSA-N 400.431 0.844 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(CC=C)cc2OC)CC1 761031078 MXUSBKSBUGWNMA-GOSISDBHSA-N 423.535 0.249 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)OCc1ccccc1 766037131 JLGHXIIJCHQYNM-UHFFFAOYSA-N 401.444 0.975 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(Cn3nc4ccccn4c3=O)no2)c1 771279211 GSXGJKNNVMCITB-UHFFFAOYSA-N 410.415 0.506 30 20 HCED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N[C@H](C#C)[C@@H]2CCCO2)c[nH]1)[C@@H]1CCCO1 773056295 LRSVQZAVSJEUHT-MVJTYMMSSA-N 405.476 0.384 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 773058607 SMBHWPNXNCFEDS-IRXDYDNUSA-N 414.505 0.167 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C)OCCO2)c1 774405420 XPFSSVACDHLNBD-QNGOZBTKSA-N 424.479 0.317 30 20 HCED C[C@H](CC(=O)O[C@H](C)CCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 774823605 JKEQFCOLSWSASO-VXGBXAGGSA-N 402.494 0.870 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1=O 781364796 KVGRLIWIJWGUSA-ZDUSSCGKSA-N 408.455 0.869 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CC(C)C 782587266 UMOHKKKTLOLRKT-UHFFFAOYSA-N 424.324 0.311 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 782987053 IJISDEBVHIZZPX-UHFFFAOYSA-N 424.298 0.910 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(F)ccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 783479649 FVOLMZCHINEMSR-CQSZACIVSA-N 412.439 0.438 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)nc1 789565518 IBTDMACPIHHBAN-UHFFFAOYSA-N 408.418 0.754 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3[nH]c(C(=O)NC)cc3c2)CC1 792342016 JZVNVXBPBUYILA-UHFFFAOYSA-N 409.446 0.454 30 20 HCED C=CCOC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 796457384 ALYXJDBVLRBTMV-QRWLVFNGSA-N 403.435 0.622 30 20 HCED C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)C 799042142 PDJKWICMFOMSOC-HZPDHXFCSA-N 400.522 0.542 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](N1CCOCC1)C(F)(F)F 803598163 BENDRWIWLXXZJV-CYBMUJFWSA-N 420.413 0.104 30 20 HCED COc1c(C)cnc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1C 803671287 BKMSHHIDCWGBCR-UHFFFAOYSA-N 408.462 0.939 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)ccc1F 806883495 JMIXROZJOGCIKK-UHFFFAOYSA-N 420.422 0.891 30 20 HCED COc1ccc(CNC(=O)NCCNc2ccc(C#N)cn2)cc1S(N)(=O)=O 808236462 LDHHHZFHIVYPNX-UHFFFAOYSA-N 404.452 0.521 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(c2nccc(OCC)n2)CC1)[C@H]1CCCO1 809307909 HYNPQBUTRCIFTK-HZPDHXFCSA-N 401.467 0.211 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(F)c(C(=O)OC)c1C)[C@@H]1CCS(=O)(=O)C1 810394096 XIRVVXHNPRYPDF-GFCCVEGCSA-N 410.423 0.508 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cccc(C#N)n3)C2=O)cc1 811251530 IOKCKGLKDAOWSD-FQEVSTJZSA-N 423.385 0.617 30 20 HCED C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812104689 PJMMQEBEFUSNNE-MRXNPFEDSA-N 406.512 0.413 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)c1 813983419 ULFSFXWHIILFQK-UHFFFAOYSA-N 408.342 0.777 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1 815536689 CGWLYZOFNJIFNX-KRWDZBQOSA-N 400.479 0.575 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)CN(C)C 815684396 MSYCRKUZWRBTTA-PFKVCDDJSA-N 423.539 0.752 30 20 HCED O=C(N[C@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 816753222 CBRZUEKUMYQLCU-AWEZNQCLSA-N 417.434 0.862 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 849065885 GNBOEVAXOUJXPQ-UHFFFAOYSA-N 411.572 0.512 30 20 HCED Nc1nc(Cl)c(C=NNC(=S)NCCN2CCOCC2)c(N2CCCC2)n1 863957203 YWZNQVQSXFEBTE-UHFFFAOYSA-N 412.951 0.443 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCOC)CC2)c1 914878753 UOLLDIFODMVNRT-UHFFFAOYSA-N 407.492 0.213 30 20 HCED O=C(COc1ccccc1C=NNC(=S)NCCN1CCOCC1)N1CCCC1 915925486 GGMUPBMMMPEHRO-UHFFFAOYSA-N 419.551 0.818 30 20 HCED CNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 917003061 YVELDQAEYUNKSA-CQSZACIVSA-N 409.464 0.559 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2ccnc2)c1 918245829 NUWMUGYZQOBHMP-JWGURIENSA-N 418.479 0.451 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1286970759 XTGQONXDZKPHDC-HZPDHXFCSA-N 424.571 0.887 30 20 HCED CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1292268542 UYYCDMDGYYSINZ-SWLSCSKDSA-N 402.496 0.881 30 20 HCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1 1299305852 JBRSRWMJSXHTPW-UHFFFAOYSA-N 412.479 0.792 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)NCC3CCN(CC#N)CC3)CC2)cn1C 1329581403 FHKSYHSHFKRPHC-UHFFFAOYSA-N 422.555 0.481 30 20 HCED Cn1cc(N2C[C@@H](C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 1435874504 YXHPPACYICKCLN-MAUKXSAKSA-N 406.446 0.956 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)o1 1458293208 QUMQSSANSLXXLX-HNAYVOBHSA-N 422.507 0.924 30 20 HCED CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 1475102498 IYXWNDBXCVYPTD-SNVBAGLBSA-N 422.326 0.881 30 20 HCED CCCNC(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1515080219 WFIQWBDULOCAHD-HNAYVOBHSA-N 406.487 0.575 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CCC(=O)N2CCOCC2)cc1 1516659427 SUQXNBWEJQYCFB-INIZCTEOSA-N 400.435 0.675 30 20 HCED CN(C)C(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1552656382 PGFJKQNOSSQCTP-CABCVRRESA-N 415.498 0.607 30 20 HCED N#Cc1cn(CCC(=O)N2C[C@@H]3Oc4c(F)ccc(F)c4O[C@@H]3C2)c(=O)nc1O 1626981388 ONVAQIVNFMSXNW-BETUJISGSA-N 404.329 0.540 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1665355869 JOGLHFAZNMSJTG-UHFFFAOYSA-N 414.553 0.487 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)NCC3(C#N)CCOCC3)C2)cc1 1682182627 YEKAVSRINULDOJ-UHFFFAOYSA-N 408.480 0.688 30 20 HCED CNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1711403559 XVHVFZFOYRQRGZ-CQSZACIVSA-N 409.498 0.743 30 20 HCED N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1712876631 RJSRBTXWTLKWSS-IAGOWNOFSA-N 406.443 0.332 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1761961352 VCJOHRURPTWMMT-HNNXBMFYSA-N 411.466 0.659 30 20 HCED Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 1767450827 KJDNPWZCVBUOEJ-HNNXBMFYSA-N 418.527 0.700 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1778969127 CLTGZNWCARTMGF-SPEDKVCISA-N 416.522 0.875 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nn(C)c4c3CCC4)CCO2)C1 1778971932 OMEUYLZPNHXTGQ-HTAPYJJXSA-N 416.522 0.925 30 20 HCED Cn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100321 BDEPWPPTDFCPHR-JPDNKWTCSA-N 405.455 0.393 30 20 HCED Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n[nH]1 1779159673 ZHQDLBCMYBDIBY-HXUWFJFHSA-N 402.499 0.372 30 20 HCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1)n1cnnn1 1780413016 QHESXYPYGFFTGT-RRMPHLOHSA-N 423.477 0.933 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c1 1780597744 RVZYPYKMJXKZNK-REWPJTCUSA-N 419.485 0.967 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1780801964 IBFPMNILPFXHFO-AXHMDWHKSA-N 408.499 0.580 30 20 HCED CN1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1781000188 RMEZYJDKXGEHPF-CVDCTZTESA-N 417.550 0.857 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1781388443 CAJWLNAYCNGRNX-LPHOPBHVSA-N 412.556 0.666 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198271 NOGXAKQCMYSGDD-YEJXKQKISA-N 424.461 0.403 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)CCO2 1783050335 QXDBCXYFPRUFGM-IIBYNOLFSA-N 421.494 0.476 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783125105 AAAKVGNZBUXMLY-GCKMJXCFSA-N 402.495 0.885 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c(Cl)c1 1783167568 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CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791647745 JPZKDNODFMZFST-QAETUUGQSA-N 406.487 0.449 30 20 HCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263069 DTUDYNNMKHNIOJ-VBRUWADQSA-N 400.475 0.745 30 20 HCED Cc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)s1 1794547685 XZDHCSKZWXLOEH-QDMKHBRRSA-N 405.524 0.937 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cc(C)cnc12 1797417769 BASHPKPKINUSSJ-CUSZFKRNSA-N 411.462 0.279 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4ncccn4n2)C3)c1 1798692554 SULHLGAZXDIPIV-ZSBFGKGUSA-N 405.418 0.446 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C)C2 1800456451 UGWFLPPNOHXPLN-UJHHCITNSA-N 405.495 0.855 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(C(F)(F)F)c1)C2 1800773938 WISAIJCTJLQPPM-DRXBFXEBSA-N 411.336 0.392 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1OC(F)F 1801815266 JBQUXJJRPVSRPX-DPIQGUFMSA-N 408.357 0.579 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)N(C)C)c1 1801915881 AIBYVIBYCXFRKV-VDNDLQMASA-N 405.520 0.910 30 20 HCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1810102281 YGZNIQGNXBXVLL-YXJHDRRASA-N 403.439 0.456 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@H]1c1cccnc1 1810334312 JHZKNGIQDQEEDG-AOIWGVFYSA-N 416.434 0.496 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CNC(=O)c3ccco3)sc2C1 1815656466 VQFNBPYYCGMJCS-SNVBAGLBSA-N 416.415 0.166 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H]2CCC(=O)N2)[nH]n1 1817315304 GQDKSCDDOIGBTH-ZFWWWQNUSA-N 415.498 0.962 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnc3ncccn23)n[nH]1 1818699554 XAPDIAAOSZWCQD-ZDUSSCGKSA-N 407.390 0.846 30 20 HCED CCOC(=O)C1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)CC1 1821805253 HKQBUNNWZPCWTQ-ZDUSSCGKSA-N 402.407 0.833 30 20 HCED COCc1oncc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200467 KIMDESDCEOSQOO-ZDUSSCGKSA-N 401.379 0.938 30 20 HCED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824974158 JEMCKFFIEIKPBT-GOSISDBHSA-N 424.567 0.640 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1cccnc1)CC2 1825664109 PTMBREKEPQWZMU-NSHDSACASA-N 400.416 0.617 30 20 HCED COC(=O)C12CC(C(=O)N[C@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)(C1)C2 1825670419 BWYPQILQMWBUHB-DVTGZZHGSA-N 417.443 0.486 30 20 HCED N#CCCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)CN)C2)C1 1828923186 VBMWYFZZVIDKCQ-OAQYLSRUSA-N 413.478 0.701 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1830058015 PLAWKAACXZXLJF-HXUWFJFHSA-N 412.450 0.578 30 20 HCED Cc1cc(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)nn1C 1831665422 DIKQAYABPXTDLC-SFHVURJKSA-N 400.479 0.979 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1831868725 CICSHISFVYXOOG-QRWLVFNGSA-N 408.451 0.310 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832805374 OLYORXSJWXPQPT-PKOBYXMFSA-N 410.540 0.753 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832944886 MIWXJMGZSQPSBS-NRFANRHFSA-N 402.495 0.992 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833124454 UMPRUBXZZXSGNE-SFHVURJKSA-N 410.421 0.687 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833316569 UQIFPKAFOYDTEH-OAQYLSRUSA-N 414.462 0.054 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834477427 NBWPOXWDGVDFAL-UTKZUKDTSA-N 421.469 0.864 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)C[C@@H](NC)C(=O)O)CC3)CC2)C1 1834739584 ZDEZIYHWZNMJKQ-GOSISDBHSA-N 406.527 0.587 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1834763486 KZZAJFXKXMVLES-QGZVFWFLSA-N 402.436 0.070 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834770221 GVMZWBSJEDNBFD-KRWDZBQOSA-N 419.526 0.874 30 20 HCED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1835233749 BMAKLQCVVICASU-NRFANRHFSA-N 401.463 0.973 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1 1835342678 JMKYYGMQCILBOU-HXUWFJFHSA-N 403.483 0.028 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347713 CYGVIFVTOIHILT-KKSFZXQISA-N 414.462 0.609 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835456324 KJTCRNGBHLOOFV-CQSZACIVSA-N 412.556 0.719 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837148636 CHQFSTJUBVUUHO-NRFANRHFSA-N 412.446 0.304 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837398000 YUGJDFDJMHLZBI-LIRRHRJNSA-N 424.523 0.368 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838338311 YPCCITJHHKADJT-UZLBHIALSA-N 420.466 0.191 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)nn1 1838346335 OVKUZNGKDKQDHQ-APWZRJJASA-N 424.523 0.510 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(Cl)ccc3OC)C2)C1 1839810053 BEXDNDHNVQUEOL-FQEVSTJZSA-N 406.866 0.981 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1840044440 IEJHRHRTVJAYIY-FQEVSTJZSA-N 422.384 0.052 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1840156862 WVORQBCDQAZIRG-FTRWYGJKSA-N 422.551 0.766 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1840161261 JIBZUWUAMOMVHC-VHFSOBRXSA-N 406.504 0.765 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840162201 OPVAPHZYIGRIMQ-FZKQIMNGSA-N 405.480 0.118 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840163929 STZGGMGHLCDHCZ-IIYDPXPESA-N 404.485 0.323 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840291843 JAJCZINAZTYSGJ-OAQYLSRUSA-N 400.479 0.669 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455779 KIZNLPRLDCCFOB-AZUAARDMSA-N 422.551 0.820 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)[C@@H]4CCC(=O)NC4)C3)c2c1 1841114472 USTFBPNTSJYRQF-CQSZACIVSA-N 406.446 0.778 30 20 HCED N#CCCC(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843153827 DNAOPOOFHHSOQG-UHFFFAOYSA-N 423.477 0.687 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CNC1=O)C2 1844252103 DOHYIXADDPEEFQ-UHFFFAOYSA-N 418.570 0.793 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1846830807 YVHCQJRFUWGOLY-CQSZACIVSA-N 412.446 0.674 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nccn1 1847940759 HZLBQUCYMQTYFB-JYJNAYRXSA-N 418.498 0.949 30 20 HCED N#CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)CCC1 1848216629 LJOVROINEHBVNO-KCXAZCMYSA-N 411.462 0.888 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 48589674 FRHBOXCJOOOSCA-CYBMUJFWSA-N 400.416 0.987 30 20 HCED N#Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 52716962 ATRRYIYSMJQJKY-UHFFFAOYSA-N 404.448 0.635 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1C(F)(F)F 437254648 WXSPLKFRAVFQJO-UHFFFAOYSA-N 414.384 0.669 30 20 HCED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccc3c2OCCO3)c1C#N 438242191 ABOFGJNEQIWCDE-UHFFFAOYSA-N 419.463 0.932 30 20 HCED C[C@@H](O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 444683211 DVWCPLLGPPFQBA-XLIONFOSSA-N 403.502 0.533 30 20 HCED C[C@@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)N1CCS(=O)(=O)CC1 447473835 VKAKBTIYXZIDIE-GFCCVEGCSA-N 402.432 0.589 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460380220 MGVJWZQTYWNJCD-INIZCTEOSA-N 403.531 0.735 30 20 HCED Cc1oc(NC(=O)[C@@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C#N)c1C 467293301 YZUCBMJDUQMSAT-GFCCVEGCSA-N 415.454 0.057 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 473570320 NYZQKQIXVHAESE-KRWDZBQOSA-N 406.508 0.837 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)c1 476749089 USJOJGHNTZLUNV-QZTJIDSGSA-N 420.473 0.918 30 20 HCED COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C2 476865261 ULQXFEUBMJHNQJ-UHFFFAOYSA-N 420.376 0.921 30 20 HCED CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1OC 486259801 MJJPIPLLYGJLIS-HDICACEKSA-N 407.492 0.831 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N 487081625 YUMDCTGXZXOZNE-OAHLLOKOSA-N 407.448 0.466 30 20 HCED CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 489807334 LVJPOLJVKHIPEZ-KRWDZBQOSA-N 422.555 0.843 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC)cc2C)CC1 491075498 ITWQDIJWWZGNBZ-UHFFFAOYSA-N 415.494 0.130 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 491222210 FCRWIWZXFBYOQX-UHFFFAOYSA-N 415.494 0.908 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 503683469 KVTWBPBXEISHOX-UHFFFAOYSA-N 400.382 0.885 30 20 HCED Cc1cc(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)nn1CCC#N 504559926 VWNMVPNJPXWLIB-UHFFFAOYSA-N 423.521 0.978 30 20 HCED COc1ccc(C(=O)N2CC(O)(CC#N)C2)cc1S(=O)(=O)NCc1ccccn1 506389430 QRGUQLBSLZNXCP-UHFFFAOYSA-N 416.459 0.669 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 506420143 CHSFQAQPYWYSFY-UHFFFAOYSA-N 420.425 0.953 30 20 HCED CC[C@H](NC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCOCC1 514018238 QHEHAPXNCQOJIY-ZJTDPSCFSA-N 411.462 0.679 30 20 HCED CN1CCN(C(=O)CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 514222098 MBINJSKZMXAURC-UHFFFAOYSA-N 402.474 0.693 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 517589979 BRVYSWUZPMQPKR-INIZCTEOSA-N 400.435 0.604 30 20 HCED C[C@]1(c2cccc(C(=O)N3CCN(c4cnccc4C#N)CC3)c2)NC(=O)NC1=O 521220432 VLGFVNSYZBXXEE-OAQYLSRUSA-N 404.430 0.970 30 20 HCED N#Cc1ccc(OCc2ccc(C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)o2)cc1 524135180 RWPHCQBBICABCZ-UHFFFAOYSA-N 421.417 0.701 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C1CC1 534404541 XPYAKIGZYDTVIS-UHFFFAOYSA-N 417.437 0.885 30 20 HCED CO[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 536598880 FZTIAQVUFJKXME-KRWDZBQOSA-N 406.508 0.502 30 20 HCED COc1ccc(C(=O)N2CCSC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 540432784 VMVSAOKVGYFHDD-AWEZNQCLSA-N 411.505 0.797 30 20 HCED CCCCN1CCOC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 554453444 ALBUHRBFSOAOOX-GOSISDBHSA-N 420.535 0.892 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cc(F)ccc3F)CC2)c1C#N 555960705 FJILFYHVRSQYMO-UHFFFAOYSA-N 402.405 0.843 30 20 HCED CCN(CC)CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 566829586 JIQUQBXSIDHAAT-QGZVFWFLSA-N 408.524 0.796 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 572036929 LLCZXMIZOKOPFX-OAHLLOKOSA-N 401.471 0.118 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n1 574387635 IJKGYTADYFGKNG-KRWDZBQOSA-N 408.466 0.282 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)Nc2cc(C#N)c3ccccc3n2)n(C)c1=O 582929609 NZNFVCRJTJNYPT-UHFFFAOYSA-N 403.402 0.882 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 603592153 YMMIJSOQDHGWPG-UHFFFAOYSA-N 412.450 0.937 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccccc2)c2nn[nH]n2)cc1 604286157 RWKDOIURCWHNGT-MRXNPFEDSA-N 411.447 0.911 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cn2)c1 610748145 MFFBLJPYIUMXPU-JKSUJKDBSA-N 409.402 0.833 30 20 HCED N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 615591874 JZRSXTKOBCZUAV-BEFAXECRSA-N 403.462 0.929 30 20 HCED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)n2)c1C 619078552 OGTCUAREFMSLEP-SFHVURJKSA-N 401.402 0.750 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1 728590162 UOEHOWUXRHWWDT-UHFFFAOYSA-N 402.476 0.538 30 20 HCED CN(C)CCN(C[C@@H]1CCCO1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 729431266 FXTSWGSEFSASTG-HNNXBMFYSA-N 408.524 0.684 30 20 HCED COCCS(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 732520694 DZXWXOGXUUWKGR-ZDUSSCGKSA-N 417.509 0.232 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)OCCNc2ncccc2C#N)C(=O)C1 741437377 WKBFXDNBJTXKCY-UHFFFAOYSA-N 403.439 0.988 30 20 HCED C[C@H](CC(=O)N1CCC(N2CCNC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742563387 YYERNUXXMMOXSP-CYBMUJFWSA-N 419.507 0.520 30 20 HCED Cn1ccnc1N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 743468420 KJUHKKGSUKRIGL-UHFFFAOYSA-N 416.507 0.588 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2scnc2C)c1=O 743728704 ORDNTPVMZJUGKG-UHFFFAOYSA-N 406.533 0.741 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744666033 DXOBVNIGGUISGV-XJKSGUPXSA-N 423.447 0.819 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 749223853 MISHNFWOJQRQTM-OAHLLOKOSA-N 409.533 0.889 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C#N 752396256 HUQQSHPKFOZZJQ-ZDUSSCGKSA-N 423.451 0.215 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758769040 OVPOTTZNROXDEE-CABCVRRESA-N 408.503 0.161 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 761033526 YJPPWNKJJNCIEX-UHFFFAOYSA-N 404.414 0.729 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@](C)(O)C(=O)OC 763281667 WOTUSIKUHLVXMQ-SCLBCKFNSA-N 411.480 0.324 30 20 HCED C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)[C@@H]1CCCO1 775325304 BTANZSCBFBHOEC-MSOLQXFVSA-N 421.519 0.744 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCCO1 775801738 YRRSTTMKFXYFEG-YRNRMSPPSA-N 400.435 0.264 30 20 HCED CCN(CCS(C)(=O)=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 775991799 WGLQXOPGHSAJSE-SFHVURJKSA-N 410.515 0.901 30 20 HCED Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 776138751 NCGVXORTGNXBJF-IAFNSTAXSA-N 420.491 0.983 30 20 HCED C=CCNC(=O)CNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776904124 XWTXMKAHZRXJMF-OAHLLOKOSA-N 423.514 0.542 30 20 HCED N#Cc1ccccc1CS(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 782573949 NXMAIVIFIIPCMB-UHFFFAOYSA-N 402.388 0.842 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1 783465082 QIINTWZTKMOMQF-UHFFFAOYSA-N 418.406 0.148 30 20 HCED C=CCc1ccc(OCC(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)c(OC)c1 784948871 SHJUNQQCIKITJE-UHFFFAOYSA-N 414.418 0.820 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 785153632 YMCORLBZDLMIEM-UHFFFAOYSA-N 413.883 0.829 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 787341283 BFHAHHMTLUYPEE-UHFFFAOYSA-N 415.494 0.843 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(F)n3)CC2)cc1 792956018 KZMVBPMCTGLXBT-UHFFFAOYSA-N 417.422 0.564 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 799283922 TYAHJBYIUILDBK-AWEZNQCLSA-N 409.508 0.901 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 800109071 ONZLKGHIAQTILB-KBPBESRZSA-N 401.489 0.442 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)nn1 800563479 BPDKQCRPZLUWGH-ISLYRVAYSA-N 410.390 0.909 30 20 HCED C#CCC[C@H](O)CNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803355168 MAXAXEOHUNUIDX-AWEZNQCLSA-N 402.513 0.691 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C(=O)N1c1ccccc1 807653221 AKQPUBMEROAXCK-PBHICJAKSA-N 406.446 0.792 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OCC)C2)C1=O 808041047 LYLPCFKZACBUKO-PMPSAXMXSA-N 408.499 0.605 30 20 HCED C[C@H](CC(=O)N1CCC(F)(F)[C@H](CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 812646388 LEKVPZSMYBXZNV-NEPJUHHUSA-N 401.435 0.980 30 20 HCED Cc1c(NC(=O)C(=O)NCCNc2ncccc2C#N)c(=O)n(-c2ccccc2)n1C 918268325 AQYUAVIIHPULDD-UHFFFAOYSA-N 419.445 0.918 30 20 HCED COC(=O)[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1298155871 YTQUCABRTRCCKV-YVEFUNNKSA-N 416.459 0.929 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301966567 VWHLNFHAPILYQE-UONOGXRCSA-N 404.500 0.612 30 20 HCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1305205453 IOVCXMFSAONQAC-AWEZNQCLSA-N 405.480 0.998 30 20 HCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CCn2cnccc2=O)c(=O)n(-c2ccccc2)n1C 1356087192 JLTWDAOSCFGMIY-INIZCTEOSA-N 420.429 0.779 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)cc1 1445629672 VHSZBMHWMQLNAN-HNNXBMFYSA-N 417.443 0.930 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C)CCOCC1 1510223999 SBMZRMAAGPXTFB-ZIAGYGMSSA-N 412.516 0.434 30 20 HCED CCN(CC)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1515481401 YQWCGNIAIIWAHZ-INIZCTEOSA-N 417.514 0.778 30 20 HCED CS(=O)(=O)c1ccccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1585107854 WTHASZKIFAVYRF-UHFFFAOYSA-N 407.473 0.445 30 20 HCED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)N(C)C 1614025566 VXIQODDDIFMSBG-UHFFFAOYSA-N 418.527 0.325 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCC3(CS(C)(=O)=O)CCC3)CC2)c1C#N 1686803760 LUWCBUMDDLKKIJ-UHFFFAOYSA-N 408.528 0.647 30 20 HCED CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706259062 SMACEVHFTFXXHT-ROUUACIJSA-N 414.514 0.764 30 20 HCED C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1722541156 KKBNXGXZEODWDM-INIZCTEOSA-N 418.523 0.928 30 20 HCED COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1778235137 DPRRQYNWUCZDKG-IDHHARJASA-N 410.540 0.975 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1779104662 CFABZDIDEPXHKE-PDQMUUICSA-N 409.483 0.650 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cnc[nH]1)C2 1779362898 UZMCGNRLPNIWSX-OXLQYAEFSA-N 416.526 0.938 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cnc(O)[nH]1 1779780467 PJURAVJDNLUJJT-QEOZXUELSA-N 418.498 0.715 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nn[nH]c2C(F)(F)F)CCO3)c1 1780334184 RYMIZCPMWVXTHP-INIZCTEOSA-N 423.355 0.781 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c1 1780334951 SOEMGJLOGSWXQB-UWJYYQICSA-N 408.462 0.295 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780396944 SRAZPXRFDMKULE-KLYYFNTPSA-N 422.438 0.139 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1780803117 VJRKQDOLZTVRPN-XTDOFWJNSA-N 410.471 0.410 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nsnc1NC)CCO2 1781264508 IRBBPXQKXBKOAF-SFHVURJKSA-N 423.495 0.533 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO2 1781268022 GEJIPMKCHJDCSL-QRWLVFNGSA-N 409.483 0.193 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4c[nH]c(=O)cn4)CCO3)C2)c1 1781966122 KFHYWRLIQPVLRK-HXUWFJFHSA-N 411.393 0.538 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3nc[nH]c3C1)C2 1782017868 PJGCUTUEJZWSJS-AVBTWRTFSA-N 414.462 0.117 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cccn2)C1 1782554287 CZSFYJXESGMDDZ-XKGFGPFHSA-N 402.495 0.996 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C(=O)O)ncn4)C[C@@H]32)C1 1783459405 LUXQWAWGMDXIGB-JDFRZJQESA-N 400.435 0.734 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)c1 1784035060 RMFORJJAFOBTIV-AUSIDOKSSA-N 424.501 0.847 30 20 HCED COC(=O)CSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1784510701 DYFBLQJPFWCKKI-AYMQEEERSA-N 418.581 0.827 30 20 HCED Cn1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1785382281 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CC(=O)NCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795598207 HDUJYTNATBISJR-BJWYYQGGSA-N 421.542 0.020 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599147 WYIWZRJHWBVJOR-XLMAVXFVSA-N 421.542 0.163 30 20 HCED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1795978334 NYKIFOHLRLXALF-XEMDLRDOSA-N 408.462 0.821 30 20 HCED CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)cc(OC)c1)C2)C(=O)O 1796092029 CXYDJOOOUUZNJQ-DFGXFYAUSA-N 414.462 0.881 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1ccc2nc(CO)[nH]c2c1 1796868763 CBCDTQKHPPOLCU-VPTLXERWSA-N 408.458 0.672 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1797713746 YFTXEKCKKZPFJB-JRKMWIEWSA-N 403.479 0.861 30 20 HCED C=CCCC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)N1CCOCC1 1797800947 NBJGORBKUZHNAF-SFNKJDCFSA-N 409.527 0.219 30 20 HCED 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C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1831393730 OIJHMLYPFVYADY-KUHUBIRLSA-N 422.507 0.142 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1831419696 PNEITQMMZOYGIB-PGRDOPGGSA-N 417.506 0.980 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1831427714 YRXRHABBBAJKDY-JXFKEZNVSA-N 404.467 0.446 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1831484714 BTOZCQVMUDYMDE-VQIMIIECSA-N 409.508 0.344 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCN2CCOCC2)CC1 1831670466 XOHVZPVTQSHIMM-GOSISDBHSA-N 405.495 0.416 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1832451640 IJRDQSMEZOEZNA-LJQANCHMSA-N 407.492 0.776 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cccnc3)CCO2)C1 1833096064 OOYGZSVLYMAUMC-ASOQJVPHSA-N 413.474 0.590 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833870003 YUQKUAKPIIWIIH-YLJYHZDGSA-N 423.535 0.410 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834246538 GLVCLHJXDFWBEU-UZLBHIALSA-N 406.483 0.063 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCCNC)CC2)CC1 1834710975 JTTORYHBSZYVKY-SREVYHEPSA-N 419.570 0.416 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1835314991 BQOSXLATQQMVFD-FVJLSDCUSA-N 405.495 0.490 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc4[nH]ncc4c3)CC2)CC1 1835526446 DTHORVJWJODREA-UHFFFAOYSA-N 424.461 0.231 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837369775 YYHUPVQXPWOOEF-GOSISDBHSA-N 418.841 0.366 30 20 HCED Cc1cc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440878 DDURJLZVEJRIAR-DUYDGHCJSA-N 417.510 0.865 30 20 HCED O=C(C#Cc1ccccc1)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837728542 CIVVWQTYURCUEH-UHFFFAOYSA-N 422.489 0.723 30 20 HCED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1839069278 UYSZMUDFIVHCLO-DYESRHJHSA-N 404.511 0.478 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1839174605 LZLUBNJMQNTRRO-HXUWFJFHSA-N 410.467 0.321 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1839226930 YYEVILFHPWDXIO-UTKZUKDTSA-N 418.494 0.881 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1839227677 IYXNHAQRMXBICG-HNAYVOBHSA-N 407.471 0.210 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839842309 SCXGTZAAQSKFHA-OXJNMPFZSA-N 409.483 0.497 30 20 HCED Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840040995 KCMQLQSFCRWAQA-JOCHJYFZSA-N 414.458 0.390 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ccccc1[N+](=O)[O-])CCO2 1840111716 GSYGKACXHGBLIX-IBGZPJMESA-N 419.459 0.777 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840160321 DSWIOILTRNULMU-XIKOKIGWSA-N 406.464 0.611 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)Cl)CCO2)C1 1840284328 DTUTYOONKFNJRB-INIZCTEOSA-N 422.860 0.556 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1840292234 DUIOWVPQJIZSIK-IBGZPJMESA-N 406.508 0.989 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(C)on1)CCO2 1840365496 DTUPBXPTVWBVPC-IBGZPJMESA-N 409.508 0.901 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840532150 IVVCWDQCLKRODI-SIKLNZKXSA-N 413.474 0.594 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1840840323 LGYIDPARIPBEFR-JOCHJYFZSA-N 415.490 0.893 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840851732 QPGGKMGUAJMVEK-OXJNMPFZSA-N 408.499 0.297 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1 1842355917 NVWUQEHCQHLJDR-AWEZNQCLSA-N 416.482 0.549 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccc3c2NC(=O)C3=O)C1 1844125593 CKCSSSSKEVBOGH-FPLPWBNLSA-N 422.441 0.497 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CN(C)C2)C1 1846717300 YJVGFBYXWVQRDO-MRXNPFEDSA-N 404.511 0.668 30 20 HCED C#CCNC(=O)COC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 7046470 ZFHCGOZPTOIYOE-AWEZNQCLSA-N 414.867 0.166 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1 26073018 XGZVQXLUHNOQGL-UHFFFAOYSA-N 407.473 0.806 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H](C)C#N 108975752 NGMXRVASLHEVFN-INIZCTEOSA-N 403.508 0.873 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1=O 410177484 FEFLTRGIZZXDHN-INIZCTEOSA-N 423.539 0.375 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)n1 428392093 SLXXOMXBHWNIAW-ZDUSSCGKSA-N 406.468 0.940 30 20 HCED CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)c1ccc(C#N)c(Br)c1 432687858 TUKXDDOPBBDBCC-SECBINFHSA-N 418.269 0.921 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 438781118 JUFFEZKKWFSZBO-MRXNPFEDSA-N 420.451 0.030 30 20 HCED COC[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H](C)O1 443763528 IFBACZIVOPNLFF-GXTWGEPZSA-N 401.398 1.084 30 20 HCED C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)c2)CCO1 444506554 KXGKVONNEZBDPM-MRXNPFEDSA-N 410.478 1.272 30 20 HCED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1CC(C)(C)O 444560163 ZNEYJFJCPCXRQA-OAHLLOKOSA-N 408.524 0.482 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)o[nH]1 444940103 DFWBKKHNOCKFLU-UHFFFAOYSA-N 424.870 0.915 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ncn(Cc3cccc(F)c3)n2)n1 445204676 PCZPEANYICCKEU-UHFFFAOYSA-N 424.440 1.544 30 20 HCED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 447912347 GKXYJPLTILADHL-GOSISDBHSA-N 423.473 0.937 30 20 HCED COC(=O)CCc1nnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 465255536 ONOHIJLHRSLJRU-LLVKDONJSA-N 416.467 1.048 30 20 HCED CCN(C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 471149314 TYSMWMFEEQHGHV-MOPGFXCFSA-N 404.536 0.904 30 20 HCED COC(=O)CN(CC#N)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 471158998 GINZOUYIAJRFHX-UHFFFAOYSA-N 400.479 0.725 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 473443994 WRQXRHIZCPVGKY-AWEZNQCLSA-N 422.507 0.546 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 480448844 OOJPLFIUUMGVNP-OAHLLOKOSA-N 424.486 0.841 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)c1 480950048 JJXNISAUHOHXKV-UHFFFAOYSA-N 424.482 0.982 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 482203117 BSVLYFRQCTZZOA-IMJJTQAJSA-N 406.508 0.988 30 20 HCED CN(Cc1ccccc1S(N)(=O)=O)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 485979902 FQCZSOICWRVZQE-UHFFFAOYSA-N 421.500 0.779 30 20 HCED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N(C)CCC(=O)OC 486996479 HVOAYELJKTZHRU-AWEZNQCLSA-N 408.484 0.951 30 20 HCED C[C@](O)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCOCC1 488263613 IHZSPGHYAHJNLT-NQIIRXRSSA-N 415.494 0.042 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 489458344 QZYGFJYCFZOWAJ-BWRBCVJASA-N 412.556 0.541 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 490360884 FCBFWLBQPNWNAE-HNNXBMFYSA-N 401.467 0.182 30 20 HCED Cn1cc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(-c2ccc(C#N)cc2)n1 491133645 IAPOZJOKGDCKLX-UHFFFAOYSA-N 420.473 0.752 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CCC#N)CCN2CCOCC2)cc1 502570863 ROKPIYAIJQUWPI-INIZCTEOSA-N 424.523 0.436 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 508983923 YRGXCLXYBGEVHB-UHFFFAOYSA-N 405.212 0.329 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1 508986164 IMFPFCWQAMHEOF-CYBMUJFWSA-N 408.842 0.982 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CCN1Cc1ccccc1 513039776 CGNTVGMJBSLKSL-GOSISDBHSA-N 416.445 0.837 30 20 HCED C=CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 517987167 ATGLHVKRLQFNQO-UHFFFAOYSA-N 406.508 0.187 30 20 HCED N#CCN1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 525801773 SOKNLLYAZFLCDK-UHFFFAOYSA-N 423.218 0.548 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCOC2)c1=O 532755848 YMTWREOVMFYJPA-CYBMUJFWSA-N 400.504 0.798 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 538255159 RYRFCRDDIJZTGI-LBPRGKRZSA-N 415.479 0.493 30 20 HCED COC(=O)C1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 539490132 JDMCSPUVYGGKKN-OAHLLOKOSA-N 406.508 0.457 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)c1 547929991 JPMYCWRKKJRWJD-CYBMUJFWSA-N 409.439 0.925 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 551279060 DCCCZXZAJIUHHW-SFHVURJKSA-N 413.522 0.076 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CCS(=O)(=O)c2ccc(C#N)cn2)c1 554680243 LKKQZJKYQJFPMQ-UHFFFAOYSA-N 424.504 0.619 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccc(F)cc3F)CC2)c1C#N 557695813 GFIPSXGDYYLUPU-UHFFFAOYSA-N 416.432 0.886 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 558453214 YZZSHZWBLXKWOH-OAHLLOKOSA-N 410.544 0.808 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCNC(=O)c3cnccn3)CC2)c1C#N 558601390 FRQKWGXUPOQLLY-UHFFFAOYSA-N 400.468 0.375 30 20 HCED CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 559661221 LMYRBFNPVCXPPM-UHFFFAOYSA-N 420.473 0.668 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C1)C(N)=O 561416387 HTHRGWOZLGLCFN-UHFFFAOYSA-N 408.462 0.976 30 20 HCED CCNC(=O)COc1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 567402241 GSZIUPBADJTKNE-UHFFFAOYSA-N 416.459 0.990 30 20 HCED CN(C)c1noc([C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 569654413 BMWDCQYUHPKLHI-AWEZNQCLSA-N 418.479 0.692 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)C2=O)cc1 577414953 JJUHIVRXVSGOPY-ZWJWXYIHSA-N 408.458 0.411 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)c1C#N 581162893 JNAKXQBXZFSAHF-UHFFFAOYSA-N 423.462 0.586 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588653643 PWIIBBJXLPMSDC-HOCLYGCPSA-N 417.466 0.382 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 589157562 DINRTSRSIKYBIE-UHFFFAOYSA-N 405.426 0.792 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 600878693 RAAKPNCKNXTDMH-UHFFFAOYSA-N 423.452 0.485 30 20 HCED Cc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)NC1CC1 610149100 RGGBWDAHRHBVSZ-UHFFFAOYSA-N 419.507 0.478 30 20 HCED N#CCCN1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 611174378 CVCJLCOJSUIGFD-INIZCTEOSA-N 410.565 0.795 30 20 HCED Cn1c(=O)c2sccc2n2c(COC(=O)CNC(=O)c3ccc(C#N)cc3)nnc12 727009970 HGAGOXJBMPZYSC-UHFFFAOYSA-N 422.426 0.988 30 20 HCED CC1(C)Oc2ccc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2O1 737307037 PYQFUAKKIFWCCO-FOCLMDBBSA-N 400.391 0.775 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 737842291 MUONUCLAPXUISS-UHFFFAOYSA-N 401.442 0.253 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H](c1ccccc1F)N1CCOCC1 742665370 VUAREGSBYGCJIT-VZCCSQPZSA-N 402.426 0.842 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 744033681 VDUXGKFGABAHHA-JVNHZCFISA-N 411.414 0.895 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cn1 746384310 JHVBWMFBZHKXEA-UHFFFAOYSA-N 405.418 0.811 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)OC)c2)CC1 747993735 QKBJVYLXFBMFTF-UHFFFAOYSA-N 401.419 0.165 30 20 HCED CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 750260934 WLRHVIMNGIKSJQ-JJTVEENBSA-N 410.496 0.571 30 20 HCED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 752404140 UOXCHFLYYRNUKZ-UHFFFAOYSA-N 422.488 0.798 30 20 HCED CN(c1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 757708329 XSJGUPBQLGCLJB-UHFFFAOYSA-N 422.488 0.760 30 20 HCED C[C@@H](O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 762583622 SFMLMKXRTQPICV-SFKFPXOQSA-N 410.496 0.667 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629605 WGSYPTSWHJQYFN-VXGBXAGGSA-N 408.436 0.169 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)N(C)CC(=O)Nc2cccc(OC)c2)CC1 772112493 CYUOFODVGBKLKG-UHFFFAOYSA-N 401.463 0.981 30 20 HCED CCCc1cccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 774542792 YAMHRQDKUSZUNL-UHFFFAOYSA-N 416.528 0.438 30 20 HCED N#Cc1c(F)cccc1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 778369117 AXNCTPHVAQKCAB-CYBMUJFWSA-N 409.439 0.185 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)ccc1F 779549236 LXFFUYPCZQAZPD-UHFFFAOYSA-N 423.426 0.365 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CCc3ccc(S(N)(=O)=O)cc3)nc12 782521854 QICRGGKJQMIFAT-UHFFFAOYSA-N 401.404 0.630 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1F)[C@@H]1CCS(=O)(=O)C1 783479636 FUDIRAGXMWRROC-SNVBAGLBSA-N 414.386 0.339 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 783481536 PTIHJYYVFVOZHV-OAHLLOKOSA-N 408.476 0.608 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc2)CC1 784438471 FHRIXMJSWDNPAE-HNNXBMFYSA-N 401.467 0.681 30 20 HCED CNC(=O)NCCC(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 796808123 PRPHCDYQEGKRET-UHFFFAOYSA-N 415.406 0.229 30 20 HCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1C#N 799563837 CWVQQTZBVWYIJS-INIZCTEOSA-N 411.505 0.141 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(CCc2ccccn2)c1=O 802722722 GRWSSQCQKYQTPI-UHFFFAOYSA-N 420.498 0.807 30 20 HCED COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 805591334 RHJPLTUKEUNMDL-TZMCWYRMSA-N 406.414 0.928 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 807304767 NYWNLYRLDWPDCJ-CYBMUJFWSA-N 421.397 0.576 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 811475323 JNJIJGIMINHTLC-UHFFFAOYSA-N 410.459 0.452 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1cncc(N2CCOCC2)c1 816127994 QTUFJRCQWOWOTL-UHFFFAOYSA-N 417.403 0.817 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C)c2)c1=O 839286815 ZZMJIOUOYACQLP-UHFFFAOYSA-N 403.508 0.099 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn(C)c2)c1=O 839329116 NZRVNBGOAMFXDU-UHFFFAOYSA-N 416.503 0.715 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(F)c2)c1=O 916200105 UJADIFXJOBIIRZ-UHFFFAOYSA-N 405.426 0.616 30 20 HCED CN1CCN(Cc2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)CC1 920187645 HPANHIAUIALBNO-UHFFFAOYSA-N 421.505 0.867 30 20 HCED N#Cc1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)c[nH]1 990864950 FKPNNBXDGFRMNY-AXSMETJDSA-N 407.434 0.083 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)NCCc2ccc(OC(F)(F)F)cc2)c(=O)n1C 1166615398 ULSSLQBXHRFGLL-UHFFFAOYSA-N 410.352 0.985 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1288526597 WWUKOJGQGSCCFM-UONOGXRCSA-N 408.528 0.977 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 1318653779 NJAKTLWMWPEODL-FBMGVBCBSA-N 404.448 0.483 30 20 HCED CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(C)[C@@H](C)CC#N 1321728054 XJGRIMSQQIQZRY-UONOGXRCSA-N 418.516 0.950 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1cccc(F)c1 1468471670 VJBZDTLCBRWDIB-HNNXBMFYSA-N 405.451 0.974 30 20 HCED CS(=O)(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519615139 ZBMRLDOORIKSAI-JKSUJKDBSA-N 423.543 0.245 30 20 HCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1555799482 UIIOWRMKQUNZMO-LPHOPBHVSA-N 417.491 0.591 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(C)(=O)=O 1613558669 JOBWTXDMVUCCHS-INIZCTEOSA-N 415.495 0.188 30 20 HCED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 1652866667 IXKDWUMJNRKNAI-UHFFFAOYSA-N 412.834 0.475 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)CC1CC1 1692514337 WXEOZDVZIQBOCP-UHFFFAOYSA-N 408.528 0.981 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC1CC1 1692785094 PVZLZWLKIUMVNL-FZKQIMNGSA-N 423.543 0.545 30 20 HCED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)CCOC1 1696031775 WDGIXNDKNAMZMG-XJKSGUPXSA-N 400.505 0.075 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1722544578 ZMQKZTYOJYIGQG-LBPRGKRZSA-N 416.935 0.747 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1729659000 LJNUNDMDKOIMQZ-XMSQKQJNSA-N 423.521 0.846 30 20 HCED Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1742498539 KLMDYLWAGISNIU-CJNGLKHVSA-N 410.479 0.535 30 20 HCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1747450905 OUFXVPUDQKZQNW-NRRJATNASA-N 416.573 0.787 30 20 HCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCO1 1750014929 MCZQOUFINKDUKU-LJQANCHMSA-N 420.477 0.940 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(=O)N(C)C)CCCC1 1750969910 ISTUJICSDOXYJO-OAHLLOKOSA-N 417.514 0.794 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1761546656 CTNJFHTWWOKCFR-OAHLLOKOSA-N 423.539 0.852 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1768269174 WPVOAQHBRXTYOZ-HNNXBMFYSA-N 421.527 0.684 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@H]3CNc4ccccc4O3)C2)C1 1778934145 SDIKVVDTQHIUNI-YCRPNKLZSA-N 413.430 0.168 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1778976215 WRLWQVISYCLOBZ-VGSWGCGISA-N 416.522 0.925 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139103 OJJRBEUOVBJQIF-NEXMKYFBSA-N 402.451 0.219 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)cc1 1780696119 LMPQUYGJRDYVHK-QFIPXVFZSA-N 412.490 0.724 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnn1C)C2 1780802184 GIDNTHMRYLUBLU-IDHHARJASA-N 406.487 0.744 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1781268506 QYEGITPPVLDNFK-IBGZPJMESA-N 406.439 0.260 30 20 HCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782595401 KKROTXTWBMUCMK-HDMKZQKVSA-N 408.528 0.667 30 20 HCED O=C(O)CSCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783958419 KBKALZVESVTUOC-JHBOHYQCSA-N 412.512 0.106 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1784447039 XACOLKCSCVJEJQ-DYESRHJHSA-N 416.526 0.864 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cncn1 1784475595 CVWOEEFJEUJCOW-VLIAUNLRSA-N 412.425 0.994 30 20 HCED 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KSOVUTNOXHUAGG-KRWDZBQOSA-N 415.393 0.448 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1)C(F)(F)F 1839891983 KVQBMKNERJNBOG-QGZVFWFLSA-N 415.368 0.509 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cccc3F)C2)C1 1840043426 XSIMNKLVLDQJJB-IBGZPJMESA-N 408.357 0.123 30 20 HCED Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840165720 HUWIGOOSSIMGHK-DNVCBOLYSA-N 410.540 0.746 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840422831 LOIAPVNHJKLXHI-VGSWGCGISA-N 413.474 0.719 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595013 DYWQECANTUPTIU-OAQYLSRUSA-N 424.494 0.257 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1840840228 GNRXBWWMIGCZMZ-QFIPXVFZSA-N 415.490 0.893 30 20 HCED COc1cc(F)ccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840933642 BNDQPXOIKNNEPI-FQEVSTJZSA-N 405.426 0.747 30 20 HCED O=C1CN(c2cccc(C(=O)N3CCCC34CN(C(=O)C#CC3CC3)C4)n2)CCCN1 1842304474 DIGKXUQDCICSJM-UHFFFAOYSA-N 421.501 0.638 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)c1 1844796404 SYBGXLDPNATAPE-UHFFFAOYSA-N 424.486 0.608 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 26776556 NVLRAWCKMJYPIB-ZIAGYGMSSA-N 409.468 0.942 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 55217564 XPWHRVAAFIZLGL-QGZVFWFLSA-N 407.492 0.614 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 110017975 JUVLRSLRESGVDN-MRXNPFEDSA-N 403.508 0.760 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 409529448 OVEOGPZXVYCANW-CYBMUJFWSA-N 420.944 0.983 30 20 HCED CN(CC(=O)Nc1ccc(Br)cn1)S(=O)(=O)N1CCO[C@H](C#N)C1 410200338 SWJQKDXIBDTQFW-LLVKDONJSA-N 418.273 0.184 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 434089943 CUPFEPKKVSPEDY-INIZCTEOSA-N 415.537 0.693 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1C#N 435498952 BEHJAFNDCUOQFT-MRXNPFEDSA-N 410.434 0.939 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)C1=O 440251287 BDHKVOVUWBXNMI-MRXNPFEDSA-N 407.492 0.891 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 440285368 PRFVQRJPVPJRCZ-UHFFFAOYSA-N 417.510 0.618 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCOC1 441920757 DKOLXDPXLXJPRW-AWEZNQCLSA-N 415.519 0.099 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C#N)c(O)c2)c1 442961498 BJEUMHARWNARGL-LLVKDONJSA-N 402.432 0.929 30 20 HCED CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460594022 VSASVYCFKCMYID-QGZVFWFLSA-N 411.466 0.286 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460604479 HLSIBMLBQSULFX-HNNXBMFYSA-N 409.450 0.842 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC)C(=O)C2)cc1 470917943 OIWODPPHCJEIHT-UHFFFAOYSA-N 422.507 0.512 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 472082114 FPWNVEKZRADZOW-MRXNPFEDSA-N 409.475 0.875 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2C)c1=O 477288637 IIPSEKBUEMNTMV-UHFFFAOYSA-N 401.463 0.739 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2)c1=O 480296572 XFMYNYVWCIKKQP-UHFFFAOYSA-N 415.515 0.984 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)c(F)cc2F)c1=O 487413558 UHGJFOCVXAPSSL-UHFFFAOYSA-N 411.405 0.613 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@@H]3CCC[C@@H]32)CC1 507721175 AGXOLUPZGVMCSW-ZWKOTPCHSA-N 418.519 0.644 30 20 HCED COCCN(CCOC)S(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 509653717 VBBFSRKALDRIFA-UHFFFAOYSA-N 400.476 0.659 30 20 HCED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 518149957 ZSFYDVZAJAOQOL-UHFFFAOYSA-N 407.430 0.786 30 20 HCED CCCCN(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 524699007 WPUJMPQOMTXYMM-UHFFFAOYSA-N 408.524 0.486 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(COC)cc3)c2=O)cn1 525173643 VBPRZGSSKLABFA-UHFFFAOYSA-N 423.498 0.511 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 543871521 PWTUVALTGQZKIN-UHFFFAOYSA-N 408.461 0.165 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)c1 546182901 PLUHIUNENLEBFD-AWEZNQCLSA-N 419.463 0.616 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 548432519 AJNFXNXCBCSWAZ-UHFFFAOYSA-N 405.458 0.731 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCc2cccc(C#N)c2)c1 550978548 LIOYUTSEWNEUDN-ZDUSSCGKSA-N 400.460 0.960 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cccc1-n1cnnn1 551188801 VCIABPMNAALOGN-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(CC)c2)CC1 553733406 PXYZFJSAZYXWCN-MJGOQNOKSA-N 416.526 0.496 30 20 HCED COC(=O)c1c(F)ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1C 555035212 MPPTZXZYPQGLKW-UHFFFAOYSA-N 402.386 0.785 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560053291 WCRMMJHKBDHGKW-UHFFFAOYSA-N 410.438 0.105 30 20 HCED N#CCN1CCC(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 570565658 CVZZLCRFCZQUBB-UHFFFAOYSA-N 422.507 0.478 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 576314862 HWEOKQZIFXCRIW-LWLAFGSWSA-N 409.527 0.470 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 582256103 AVMAZCLQXPHKQX-ZDUSSCGKSA-N 400.526 0.631 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 603553775 WRQYFBZZVHRKBE-KRWDZBQOSA-N 406.508 0.502 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)cc1 609324167 VCWODCFFPKIRKY-LJQANCHMSA-N 413.522 0.779 30 20 HCED COCCN(CCC#N)CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 619648428 WVZBSZPJKUYBFJ-UHFFFAOYSA-N 403.526 0.573 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCCO1 619863273 NMFBNBWPLFMLAZ-WOSRLPQWSA-N 400.480 0.899 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)CC1 728530459 GGAMDVTVXPHKFC-UHFFFAOYSA-N 422.526 0.296 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1OC 729431183 BVMQJIUFCGKGTB-LLVKDONJSA-N 412.406 0.693 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 730524903 ZCCQUKXQRAYTKG-UHFFFAOYSA-N 420.389 0.540 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)cc1 731127119 UKJHHEMYALIRBH-MRXNPFEDSA-N 400.479 0.696 30 20 HCED COc1ccc(C)cc1N1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 731861128 LUAPIAQBNXYRTP-HFGXJBEUSA-N 412.446 0.999 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=S)NCCCN(C)C 731928210 FVWANYAJGSTRMT-CQSZACIVSA-N 400.574 0.609 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C)cc3C)c2=O)cn1 732561288 KPVNDNBZPDKPMU-UHFFFAOYSA-N 407.499 0.981 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 733297611 LZPORZVMFOMCSU-MAUKXSAKSA-N 405.480 0.296 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(O)CCC2)c1 737251357 ICOJEBNRBSCIDZ-QNGOZBTKSA-N 408.480 0.469 30 20 HCED CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 742308574 KIABBWOLGXBQBJ-UHFFFAOYSA-N 400.400 0.917 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3cc(OC)ccc3OC)CC2)CC1 746500291 WGSHEFUGUSJUNY-UHFFFAOYSA-N 400.523 0.599 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cn1C 751657101 LIIAXQPHZHVVFA-GFCCVEGCSA-N 423.476 0.289 30 20 HCED COCCN(C(=O)CON=C(C)Cn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 754278823 XWNHKBDZGMIXPK-INIZCTEOSA-N 400.501 0.555 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 757263020 XXKOAWIMFZKOKX-MRXNPFEDSA-N 412.450 0.907 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)c1 766598032 YLHHOADTEUODRF-JIVYGXRASA-N 422.507 0.811 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NC1CCCC1 767680685 NLLQNYVBRSFSTM-LBPRGKRZSA-N 422.463 0.537 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)c1 772314937 QIYKSUNZKPQNDQ-UHFFFAOYSA-N 410.430 0.259 30 20 HCED Cn1c(Sc2nnc(CSc3ccccc3)n2N)c(C#N)c(=O)n(C)c1=O 782379686 BHGAFNPTYFGCID-UHFFFAOYSA-N 401.477 0.704 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782419351 VIRHFIMLTJSOQO-UHFFFAOYSA-N 407.427 0.872 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(NS(=O)(=O)CCC)c1 783351558 ZIDRTZXBIZIYKZ-UHFFFAOYSA-N 417.509 0.494 30 20 HCED C#CCN(C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 783480600 KLBXSMQPADTGLE-ZETCQYMHSA-N 410.320 0.970 30 20 HCED CCn1c(=O)c(C(=O)COC(=O)c2c[nH]c(C#N)c2)c(N)n(Cc2ccccc2)c1=O 786898481 CXETVDYBKOXEGZ-UHFFFAOYSA-N 421.413 0.900 30 20 HCED CCOC(=O)CON=C(C(=O)NCCN1C(=O)c2ccccc2C1=O)c1cc[nH]n1 789969698 YJTDOFLLYIDCOA-UHFFFAOYSA-N 413.390 0.106 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)c2cnc3ccccc3n2)n(C)c1=O 792115468 XZGVNFOESGTCOF-LBPRGKRZSA-N 403.402 0.643 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 796456563 RQBUTSOMSKJUSM-LIRRHRJNSA-N 407.398 0.453 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)OC 797762990 ZUWJBFPLWHDBIE-CYBMUJFWSA-N 420.871 0.996 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@@H]1CCCO1 805531924 QSQZBVYCRXWCRG-MSOLQXFVSA-N 402.495 0.917 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 807455096 XSRGAOIQTKLVBU-CYBMUJFWSA-N 411.455 0.659 30 20 HCED Cc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1S(=O)(=O)N1CCOCC1 864339968 RKBYTRXTZBASBY-UHFFFAOYSA-N 400.420 0.735 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 915757234 WQKLTLOWZBCSGB-QGZVFWFLSA-N 400.460 0.946 30 20 HCED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 916924977 DQXNAHBEXFHMLI-CYBMUJFWSA-N 421.413 0.992 30 20 HCED CC1(C)NC(=O)N(CCCOC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 918816202 MPRNDRVYSFAUGF-UHFFFAOYSA-N 422.463 0.379 30 20 HCED Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2Nc2ccc(C#N)nn2)cn1 1047704132 IVRHAOUNQFSKIK-XWEXYQFDSA-N 405.462 0.912 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(C(=O)NC)n2)c1 1116282687 NWNXTLAQHFTOOM-UHFFFAOYSA-N 406.442 0.928 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3CC#N)CC2)C[C@@H](C)O1 1136206740 OMEWVMBAYKGKGT-HZPDHXFCSA-N 406.508 0.864 30 20 HCED COC(=O)Cn1nc(C)c(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1C 1253598615 XVPFCVFKVPHJHW-UHFFFAOYSA-N 419.463 0.028 30 20 HCED 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406.460 0.396 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1840161526 SELHINNIPVSCDR-AUUYWEPGSA-N 404.492 0.723 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CCO2 1840288986 FUKXYODVARYDTC-NJNPRVFISA-N 412.442 0.335 30 20 HCED O=C([C@@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302565 CLDNXZZIKZRZGU-ABOJNYCISA-N 413.496 0.296 30 20 HCED CC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)c1ccc(F)cc1 1845006932 UVUQDUJNEFVUIN-SFHVURJKSA-N 401.394 0.294 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCO3)C2 1845188305 GKWQONZHVFQESA-UHFFFAOYSA-N 402.451 0.992 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)c1 1845485897 DRHZSSWJCWYDOY-UHFFFAOYSA-N 408.393 0.717 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2)C(F)(F)F 1846014797 ATBQPGZIFGATAD-LBPRGKRZSA-N 411.384 0.917 30 20 HCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC23CN(C(=O)CCC#N)C3)C1 1846411215 MBICIDVSEMFXLL-HXUWFJFHSA-N 406.483 0.865 30 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Cc1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1S(N)(=O)=O 442238145 BYCNXTSYXWTJEW-UHFFFAOYSA-N 414.443 0.742 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NC(C)C)C1 460781061 DQLMWEYFSZNRSU-OAHLLOKOSA-N 410.544 0.997 30 20 HCED COC[C@](C)(C#N)NC(=O)c1cc(C(=O)N[C@](C)(C#N)COC)cc([N+](=O)[O-])c1 461027606 XAXGZNSNGODIBW-HDICACEKSA-N 403.395 0.912 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@](C)(O)Cn3c(C)cccc3=O)CC2)c1C#N 461192690 JMYOFVXTGQUBKR-LJQANCHMSA-N 401.492 0.893 30 20 HCED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@]1(CO)CCOC1 461359839 GBIJKMCNTOFWPO-HXUWFJFHSA-N 415.450 0.538 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 462723763 SZZQRPDTBQUSDD-INIZCTEOSA-N 417.491 0.810 30 20 HCED COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 463120957 UJGGAQORWOLUPM-CABZTGNLSA-N 407.370 0.835 30 20 HCED COc1coc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1=O 466987663 WPMZXFMIKRJHJE-UHFFFAOYSA-N 403.416 0.667 30 20 HCED C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 469198461 DWKNJZQXPCQNDQ-NTDXCCSUSA-N 408.458 0.758 30 20 HCED CN(CCCNC(=O)C1CCC1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 470022026 GEDIFDSQWADZQH-UHFFFAOYSA-N 406.508 0.944 30 20 HCED C[C@@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCO1 470087031 OYUSYEDXCIJWQO-HZPDHXFCSA-N 408.524 0.842 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 477145807 XMTXDUHSPNXHMG-NEPJUHHUSA-N 402.454 0.605 30 20 HCED Cc1ccc(S(=O)(=O)N2CC(O)(CC#N)C2)cc1S(=O)(=O)N1CCCCC1 479303524 QTELTOQJUCWMGU-UHFFFAOYSA-N 413.521 0.819 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 479906817 ALXATDWTOGOMTF-ACJLOTCBSA-N 412.471 0.664 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 497779957 MWWLALPHPBDREB-UHFFFAOYSA-N 406.489 0.868 30 20 HCED CCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 499675932 LNTNTOPTNCZDEG-UHFFFAOYSA-N 412.896 0.827 30 20 HCED Cc1cc(NC(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nn1CCC#N 505082035 PKNVXIDDGOADRC-SZNDQCEHSA-N 417.429 0.916 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)c(=O)n2C 505953102 FRZUXQIJXHRHNS-GFCCVEGCSA-N 420.351 0.834 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(CC(C)C)c1=O 512720853 PINWUKGIXYKUSY-CQSZACIVSA-N 417.535 0.436 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(OCC(N)=O)c1 516416673 XMVSVLOAAGOMFP-UHFFFAOYSA-N 423.473 0.951 30 20 HCED N#Cc1ccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)CN3CCCC3)c2)cc1F 519791473 IYLDRIPPJZRJSW-MRXNPFEDSA-N 400.414 0.928 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 526097051 AUEUSCCEIPTXDI-UHFFFAOYSA-N 409.450 0.809 30 20 HCED COC(=O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 533027075 QJWVGQFJJLFJBD-UHFFFAOYSA-N 422.507 0.275 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCN2C(=O)CCC2=O)c1C 534189222 APTYNYWLDCSGAU-UHFFFAOYSA-N 408.418 0.565 30 20 HCED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 539770379 SJSYIJRVEJVSHG-UHFFFAOYSA-N 401.463 0.961 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 540972379 SIDDIKAOYOEQRV-GVAFMPQTSA-N 411.466 0.245 30 20 HCED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2NC1=O 546196526 JGHNUMARZCYQCK-CYBMUJFWSA-N 420.429 0.960 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 553668928 BCIUOWGZLKQNQH-HXUWFJFHSA-N 405.587 0.770 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 554694686 PKYGFMRZWQEJFM-MRXNPFEDSA-N 423.429 0.539 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 561939113 LORTUSRVTIGVBS-MRXNPFEDSA-N 414.506 0.679 30 20 HCED CN(C(=O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CCCCC1 564466910 PKWZGKGFOXDVOY-UHFFFAOYSA-N 409.450 0.985 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(CCCO)CC3)C2=O)cc1 565737039 KSQNUIIDJNXOOL-IBGZPJMESA-N 412.490 0.786 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566768425 IQKQQIRXTIJZLI-OAHLLOKOSA-N 409.464 0.407 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN(C(C)C)C(C)C)CC2)c1C#N 572554328 SXVIVHJFJMOENF-UHFFFAOYSA-N 417.558 0.874 30 20 HCED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 578287200 FAWBKMVILARHBM-ZDUSSCGKSA-N 421.397 0.729 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 584015116 PSXKIFUNACOROE-UHFFFAOYSA-N 407.434 0.272 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)cc1S(N)(=O)=O 584018199 WJMJVXMRJNXCBP-UHFFFAOYSA-N 402.432 0.778 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 604531463 ZXCTYNJDAFPSLT-UHFFFAOYSA-N 414.443 0.652 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609086008 JBWBEMZANFQIDN-UHFFFAOYSA-N 409.393 0.425 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 609087235 ZFUFUGJEMLZYKA-UHFFFAOYSA-N 410.434 0.661 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 609100977 ZQZKNDULKOGOKH-RBUKOAKNSA-N 402.520 0.858 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@@H]4CCCO4)CC3)CC2)o1 610000696 ROOIVZNLFXQUMG-KRWDZBQOSA-N 402.499 0.300 30 20 HCED CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 615631233 BMWHMDBJFNUGCW-NRFANRHFSA-N 415.469 0.796 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 670213094 VQFRSYSQMSZDDF-HNNXBMFYSA-N 420.543 0.889 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)C1=O 672111720 OLRBEASTUVWSAM-WMLDXEAASA-N 414.462 0.162 30 20 HCED CNC(=O)c1cccc(C(=O)NCC#CCNC(=O)c2cccc(C(=O)NC)c2)c1 680339952 QCIZGYZRTYOFOT-UHFFFAOYSA-N 406.442 0.569 30 20 HCED CCC(=O)N1CCC[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 681338452 CLDWWPOHOSHMPJ-QZTJIDSGSA-N 418.538 0.519 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)c1 682435223 NIUMZPPLBPYFMO-IBGZPJMESA-N 422.482 0.660 30 20 HCED COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1NS(C)(=O)=O 732467493 YFXFWTCPTLZTBN-FOCLMDBBSA-N 423.451 0.715 30 20 HCED CN(CCO)S(=O)(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734573947 NRFZGMFOOQHIHP-QGZVFWFLSA-N 417.443 0.554 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 737308026 VLTSEWFZDFNWSD-YPKPFQOOSA-N 408.317 0.589 30 20 HCED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 741238084 FSUKCYLKKJHZDD-JKSUJKDBSA-N 407.492 0.504 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCn3c(nnc3-c3ccccc3)C2)c1=O 743411024 IBBXJBHKHHQKEU-UHFFFAOYSA-N 421.461 0.276 30 20 HCED N#Cc1ccc(-c2nnc(COC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)o2)cc1 744467333 DTUJYEQMHZGPSD-UHFFFAOYSA-N 412.387 0.621 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)cc1 745144764 FJYNCZAASXVIPT-UHFFFAOYSA-N 423.472 0.364 30 20 HCED C[C@H](CC(=O)OCC(=O)N1CCO[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 745497853 URAUKVNTKCUNCW-CHWSQXEVSA-N 409.464 0.294 30 20 HCED C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N(CCC#N)CCN2CCOCC2)C1=O 749380796 XVJXUFIITOQNKM-OAQYLSRUSA-N 413.478 0.528 30 20 HCED COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 749628062 JPDQJOFCOSBCFZ-SFHVURJKSA-N 420.429 0.995 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)nc1C(=O)OC 751028918 SQRBNPCHIQSSHZ-SNVBAGLBSA-N 408.885 0.885 30 20 HCED COC(=O)c1c(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n[nH]c1C 751063249 PEQRCTFSIPMVMR-UHFFFAOYSA-N 404.452 0.719 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 761032943 PNGGSLCXVABEPE-UHFFFAOYSA-N 415.859 0.272 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2cccc(F)c2)C(=O)C1 765881646 JWPRLDDQTYEBFL-ZCXUNETKSA-N 401.398 0.710 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@]2(CC(=O)OC)CCOC2)ccc1F 766780471 GWVJHIOFIPPMQZ-KRWDZBQOSA-N 400.428 0.742 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC1CCCC1 767625942 FTASNMHSOSXJRS-GFCCVEGCSA-N 422.463 0.537 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O 767627462 NHCAJJVOGVAKLZ-GXFFZTMASA-N 419.381 0.931 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccccc2Br)CC1 767730917 DIYCAOIOYBTXPR-SFHVURJKSA-N 419.323 0.699 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](CO)OC[C@H]1C 768999135 KKFFSLXFRRDROT-FMKPAKJESA-N 409.508 0.892 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)c3nccn3C)C2=O)cc1 770866040 OQWFPIHDCXZHEF-VBKZILBWSA-N 409.402 0.787 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 784823045 QACBMFRZZCDTDI-IAGOWNOFSA-N 415.494 0.439 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784923180 HWHGWMUTGGRZCT-RELWKKBWSA-N 414.487 0.923 30 20 HCED COC(=O)c1cccc(COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1C#N 786361789 RJLVPZCPNVIFLF-JOCBIADPSA-N 412.398 0.941 30 20 HCED COC(=O)[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1cccc(C#N)c1 786363204 IMEFEYZEGJHYDH-RTKZEXODSA-N 412.398 0.868 30 20 HCED Cc1ccc(N2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787786914 FGXXTPGXJYIIHY-KRWDZBQOSA-N 406.446 0.712 30 20 HCED CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCNc2ncccc2C#N)cc1 798320754 CIKXULRLXUPVJD-UHFFFAOYSA-N 403.464 0.408 30 20 HCED C#CCC[C@@H](O)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 799078747 KHXPVVUUEMLFNH-MRXNPFEDSA-N 409.508 0.337 30 20 HCED C#CCC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 799080706 LUCOEVPVEQKAIH-QGZVFWFLSA-N 407.492 0.044 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 800052913 MWDYHIRFDMGRAD-LLVKDONJSA-N 402.489 0.567 30 20 HCED COCCN1C[C@@H](C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1=O 800132888 YLEYGFYZKNCELV-AWEZNQCLSA-N 411.418 0.721 30 20 HCED COc1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)sc1S(N)(=O)=O 801289891 NPNIJXJMEZATCJ-UHFFFAOYSA-N 407.477 0.633 30 20 HCED C[C@@H](C#N)OCCOC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 801806318 FHRNXKPGLPOSID-LNSITVRQSA-N 402.856 0.936 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 803781724 IUFDFZQXMGZLRI-IBGZPJMESA-N 423.491 0.807 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC(C4OCCO4)CC3)CC2)nc1 804400918 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GJHOQXCVSBPLDQ-KKSFZXQISA-N 421.457 0.950 30 20 HCED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cnc(O)nc4O)sc3C2)CC1 1817081399 BTASMTWPYPVGHB-MRVPVSSYSA-N 400.420 0.874 30 20 HCED N=C(N)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C/N=C/c2ccco2)n[nH]1 1819477807 XFTNECJFVKHLNZ-SCDDIDHTSA-N 400.443 0.597 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1829764494 NNTNCRFMACSUOW-VKUXZERMSA-N 414.462 0.010 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1830061660 QPZSYMAOAVVHRG-OAQYLSRUSA-N 411.462 0.954 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@H]3C3CC3)CCO2)C1 1830496000 NYKQRRROWUNCGR-SPEDKVCISA-N 418.538 0.771 30 20 HCED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1830873357 PJULLHMPIFSUIP-UGKGYDQZSA-N 415.490 0.840 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(COC)CC3)CCO2)C1 1831380801 PRHRWGQVYIOEBO-KKSFZXQISA-N 410.511 0.443 30 20 HCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1831790713 VVFJUOFGAAVOBC-NRFANRHFSA-N 418.494 0.940 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1832456315 MFEODPWGNPZQPI-LJQANCHMSA-N 408.524 0.636 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOC3=O)CC2)CC1 1833147845 PLCBJAMLFYOQRB-UHFFFAOYSA-N 419.526 0.950 30 20 HCED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1834232735 DEDSBAYTPXSDMH-QFIPXVFZSA-N 408.458 0.542 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccco4)no3)C2)C1 1834758920 YQETUMRXOMOFAE-LJQANCHMSA-N 400.391 0.918 30 20 HCED Cn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c2c1CCC2 1835342409 ZDVZLMJOUGJNJS-NRFANRHFSA-N 413.478 0.283 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nc1 1835342460 ZVHPILPOFYABHT-FQEVSTJZSA-N 400.435 0.464 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835355062 RCXRPVWGJDSQPW-RXVVDRJESA-N 415.446 0.587 30 20 HCED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778488 OHWFZZYAISTBRZ-OEAKJJBVSA-N 417.510 0.406 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CCn4ccnn4)CC3)CC2)c1 1836170924 XJEDVDHBYRPCNW-UHFFFAOYSA-N 424.509 0.753 30 20 HCED COc1ccccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836236833 RTXSPMFWOHEYDS-UHFFFAOYSA-N 413.474 0.968 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H]1CNc3ccccc3O1)CCO2 1837350735 FXNNDDUUVSMGQH-KKSFZXQISA-N 414.462 0.620 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837396772 JPJPPGWQUIKFDU-AVRDEDQJSA-N 419.522 0.977 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1837396889 OGKYHRBJAHZXSY-UTKZUKDTSA-N 418.494 0.428 30 20 HCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1837635038 YOEADFFVBFFVGQ-MLGOLLRUSA-N 421.523 0.701 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837678867 BZSLJLDBZGCXOT-AVRDEDQJSA-N 421.538 0.941 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838434043 JSMBBFWWWRYGLK-GUYCJALGSA-N 415.556 0.454 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1838639471 GZMOIJSPJKFVII-CVEARBPZSA-N 410.515 0.920 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C1(O)CCC1 1838732945 FRXRWWHNNUNYRD-MGPUTAFESA-N 416.478 0.507 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)CC1 1838786064 LXNDBDAHPDKXIN-BFUOFWGJSA-N 416.540 0.919 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)cc1 1838950106 BWELDDDNBSIJNS-JOCHJYFZSA-N 422.441 0.575 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1839173106 AFMYIBYRQXQEDL-GOSISDBHSA-N 424.479 0.118 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839228973 VLYAAGTUNHFBSZ-UZLBHIALSA-N 421.498 0.600 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1839808712 YWWJIJWGDQLCGX-IBGZPJMESA-N 402.838 0.691 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839838566 JMCDLJCHFKSCMR-KKSFZXQISA-N 403.479 0.668 30 20 HCED C/C(=C\c1cccs1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040821 ZPYAVYUBPBKWDO-RNTFSAEZSA-N 418.471 0.696 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840131697 MKDXBCHXKXJPNU-VLIAUNLRSA-N 402.451 0.572 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840168588 VCMQLTHAGMWDGK-NRFANRHFSA-N 411.462 0.603 30 20 HCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1)OCC 1840282576 YBCLCVITKVPGCO-KSSFIOAISA-N 404.529 0.550 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840494681 NCOHQQCQOGAGPC-QUCCMNQESA-N 423.535 0.741 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1841055077 XHCAABSUSVGYOV-PLNGDYQASA-N 420.473 0.943 30 20 HCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)N(C(=O)OC(C)(C)C)C1 1843350436 QTAKLOVLHYCSQT-GJZGRUSLSA-N 407.515 0.041 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846559915 FPPYFYQTUSDWOS-RHSMWYFYSA-N 403.483 0.251 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1846996514 BZDJWMQRUONKGZ-UHFFFAOYSA-N 409.490 0.638 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(C#N)cc1 1847211323 KUCXVSLDPNWUFK-UFYCRDLUSA-N 412.490 0.844 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Br)cn1 1848244449 PHYBKENLGIAYAJ-KBPBESRZSA-N 406.236 0.676 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CSCC#N)CC2)cc1 32672525 CCRKNYOXAJXPHI-UHFFFAOYSA-N 411.505 0.953 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNc3ncccn3)CC2)cc1 47106067 MAAHOEHWMDIUNO-UHFFFAOYSA-N 414.491 0.977 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 52704522 UGMIRXNTHOHNNO-UHFFFAOYSA-N 415.494 0.210 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 145205275 HXXDXOWTYISCPB-UHFFFAOYSA-N 412.450 0.796 30 20 HCED CC(C)[C@H](CN(C)C(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 409985732 AMGBBNOLLKODKG-RDBSUJKOSA-N 412.458 0.034 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CNc2cccc(C#N)c2)c1 426449282 IWISFDOHIJIHSA-UHFFFAOYSA-N 401.448 0.633 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434990767 KIXNSNCIMOAQTR-TZMCWYRMSA-N 424.479 0.509 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC(=O)N2)cc1 435201447 NHLOHDSQOLJXJF-AWEZNQCLSA-N 408.480 0.217 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1=O 440249451 YZXRSVQOLWVSPQ-OAHLLOKOSA-N 422.507 0.429 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 441134583 JYRRQSLAOSKLGY-PKOBYXMFSA-N 424.505 1.273 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(c2ccccc2)CC1 462179471 RQLXPBQQRZTUNP-QGZVFWFLSA-N 419.489 0.734 30 20 HCED N#Cc1cccn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1=O 467203170 WIFXKZDTOCYOPZ-UHFFFAOYSA-N 416.459 0.057 30 20 HCED Cc1ncccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 467628559 GZVCZQVZDCMOQK-UHFFFAOYSA-N 413.459 0.733 30 20 HCED CCc1nnc(N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(C#N)c1CC 467739277 FJPBHDMLVRFBGR-UHFFFAOYSA-N 407.544 0.087 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3nc(N)ns3)CC2)cc1 467844388 QFFSMQDFNSOMHA-UHFFFAOYSA-N 406.493 0.256 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(CCO)CC3)ccc21 471049071 YNLQJNKYNKDNEE-UHFFFAOYSA-N 413.478 0.345 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 473989530 PSSJIWYJHJGCOC-UHFFFAOYSA-N 417.466 0.669 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C3CCCCC3)nn2C)CC1 479015535 OOMAPURFVVTSRJ-UHFFFAOYSA-N 416.526 0.853 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1C 480806857 RZAPAHPVKWXONK-UHFFFAOYSA-N 400.526 0.417 30 20 HCED N#Cc1ccc(Br)c(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 492517712 YOJJXJHHBAGNGA-HZPDHXFCSA-N 414.325 0.908 30 20 HCED CN(CC(=O)N1CCN(C(=O)C(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)cc1 498061962 XYQAUKNRFFUISR-UHFFFAOYSA-N 406.508 0.896 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)cc1 498495063 JYDLPYCFUCIQHX-GOSISDBHSA-N 420.535 0.530 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](Cc3ccccc3)C(N)=O)C2=O)cc1 504756426 NMILMHLAZGMLEZ-MSOLQXFVSA-N 419.441 0.976 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 507687596 LHGJVNFECMMUTN-FXAWDEMLSA-N 413.522 0.822 30 20 HCED CCOC(=O)c1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1C 508135743 NJSVJFSNQKPJTQ-NSHDSACASA-N 405.436 0.774 30 20 HCED COC(=O)c1c(Br)ccc(NC(=O)C(=O)NCC(=O)NCC#N)c1C 509004240 GVNSHTTXWPMHTG-UHFFFAOYSA-N 411.212 0.239 30 20 HCED CNC(=O)CCCN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 510807399 UAZGEKFNAYLLCM-UHFFFAOYSA-N 414.466 0.913 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513666537 MTBCJKHOYPEOQS-IGMJJTELSA-N 416.503 0.366 30 20 HCED CC(C)CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 514538360 OUADHXSOLUWCFS-KRWDZBQOSA-N 418.519 0.896 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)nc1 515257791 VSMUMBQBDCNYFW-UHFFFAOYSA-N 421.508 0.980 30 20 HCED N#Cc1c[nH]ccc1=NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 518026807 IRFOBBGNNWXCJC-UHFFFAOYSA-N 400.460 0.967 30 20 HCED Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 522979257 HPIMSVVOOBXAGN-HNNXBMFYSA-N 411.462 0.380 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n([C@@H](C)c2ccccc2)c1=O 533579213 FGFXPVPVTIBYEG-AWEZNQCLSA-N 407.499 0.985 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cncnc2N)cc1 537006226 CWPSDBWJLXMQKP-UHFFFAOYSA-N 404.452 0.120 30 20 HCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2coc(S(N)(=O)=O)c2)cc1 539950013 LEYDFVJOKJJJSA-ZDUSSCGKSA-N 406.445 0.952 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)C(=O)O 541003054 BAPGVDADHILCNC-GFCCVEGCSA-N 404.466 0.602 30 20 HCED N#Cc1cccc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)n1 545490576 JYDRKKIMYKJQIN-UHFFFAOYSA-N 420.433 0.998 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 547804929 XUFRNIRVFGABAZ-UHFFFAOYSA-N 420.491 0.968 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Sc2ccccc2)CC1 554624437 QRMPRNQUTTVCBU-INIZCTEOSA-N 404.536 0.730 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 555848843 NHOSHZSFEGVJKL-UHFFFAOYSA-N 412.450 0.607 30 20 HCED CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccccc1 559411532 KQXKQNIZZNWUDT-FQEVSTJZSA-N 420.517 0.891 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc21 560052943 HSMHKZPITHLDIN-UHFFFAOYSA-N 420.429 0.596 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCCC1 580382106 BSAFZKIZSPPEAV-UHFFFAOYSA-N 409.450 0.842 30 20 HCED N#Cc1cncc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)c1 583784912 CEEMSDXRZJOVIQ-UHFFFAOYSA-N 408.461 0.775 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 587690533 UQMJWMQLDFFURP-SJORKVTESA-N 411.506 0.891 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2=O)cc1 588868266 BMBMVEUVVDUQMN-RBUKOAKNSA-N 409.490 0.472 30 20 HCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C)c2=O)cc1 590982338 RDUHSLPPBKBLOR-UHFFFAOYSA-N 411.483 0.795 30 20 HCED C[C@]1(C#N)CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 612164822 GRVJNHNZWVKHQU-HXUWFJFHSA-N 420.535 0.949 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1=O 726042564 JXJKJGQZUVUXGU-GFCCVEGCSA-N 401.375 0.736 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H](C)Cc2ccccc2C)C1=O 726043397 TUAJNEWMDWUCKK-CQSZACIVSA-N 401.419 0.562 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnc(S)n2-c2ccc(F)cc2)CC1 728533509 LRASSSQEBYSOJL-UHFFFAOYSA-N 401.467 0.807 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 728571039 UNAGLLDVWBHAFR-SJORKVTESA-N 416.522 0.637 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 730096821 YOYARQKNLJSEPN-KRWDZBQOSA-N 421.519 0.634 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 730395573 GQHKZBYZVQMOHA-ZBFHGGJFSA-N 424.523 0.921 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1=O 730585186 RCSOQMMPGINRKE-GOSISDBHSA-N 403.443 0.773 30 20 HCED N#C[C@@H](C(=O)CCc1nc(-c2cccs2)no1)C(=O)N1CCS(=O)(=O)CC1 732907666 BTVYDZSRJTUDPE-NSHDSACASA-N 408.461 0.697 30 20 HCED Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 733565412 SLSKZVDNUXDQMT-ZDUSSCGKSA-N 400.391 0.594 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)c1=O 734567695 NCEMTZXFOVTOTA-GOSISDBHSA-N 406.398 0.825 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NCCNc2ccc(C#N)cn2)C(=O)C1 741209340 MCYSSBMXBWWPDH-UHFFFAOYSA-N 402.455 0.561 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1 742847028 IYNWVUHBJFXYEZ-MRXNPFEDSA-N 403.485 0.973 30 20 HCED CC#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 744570777 AFIQFONJWOXHTO-UHFFFAOYSA-N 408.476 0.724 30 20 HCED C[C@H](CC(=O)O[C@H](C)C(=O)N(C)CCC#N)/N=C1/NS(=O)(=O)c2ccccc21 745498704 ZWBKRVBCKZIVPF-CHWSQXEVSA-N 406.464 0.807 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)NC)s2)cc1 749669508 CJEVMOAFEAINJD-UHFFFAOYSA-N 407.473 0.923 30 20 HCED CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ncnc2[nH]cnc12 757590530 POFHECZGOMCWNO-RYUDHWBXSA-N 400.443 0.664 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OCCOC)cc2)c1=O 758055472 PKKJRMLENOVWED-UHFFFAOYSA-N 423.494 0.373 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCOc2ccc(C(C)C)cc2)CC1 761023378 HDDAVZGYNCOLCQ-UHFFFAOYSA-N 422.551 0.390 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cc1 761351033 ZNZTZLNCXBREOT-UHFFFAOYSA-N 406.376 0.150 30 20 HCED CCN(CCO)CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 769635126 CCPFTZWKQFUKFW-INIZCTEOSA-N 410.540 0.570 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 783452508 FERPAMUVMRUHOT-UHFFFAOYSA-N 418.409 0.929 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 784871055 XEWOVYCRZYZASX-GOSISDBHSA-N 409.442 0.888 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 786444178 XJDWFGURQDZSMJ-HXUWFJFHSA-N 417.441 0.384 30 20 HCED C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787680952 IKAOMXHXTJSWQO-VBNZEHGJSA-N 403.410 0.895 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C(C)C)c1=O 794645932 RWDAPCIOCQMOCN-UHFFFAOYSA-N 421.482 0.733 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 796120366 CDTGUGZWYBSYNR-UHFFFAOYSA-N 404.268 0.604 30 20 HCED CC(=O)N[C@](C)(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 797515473 RPTMPUQPQSGTDQ-IBGZPJMESA-N 423.491 0.745 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 798061138 VLMOCOOAIYWECE-YJBOKZPZSA-N 421.519 0.923 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1=O 798617702 NPQXSMNGTSTLDU-IUODEOHRSA-N 407.448 0.017 30 20 HCED C[C@H](C(=O)O[C@@H]1C[C@@H](OC(=O)[C@@H](C)n2cnc(C#N)n2)C1(C)C)n1cnc(C#N)n1 798848587 AXKBJGRFEJCBQY-FDYHWXHSSA-N 412.410 0.689 30 20 HCED C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CCOC 802392493 LCKXYASQQVRLGW-UHFFFAOYSA-N 419.507 0.682 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 803105127 IHUHFLRECRKBLO-UONOGXRCSA-N 415.516 0.038 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)c(F)cc1C(=O)NCC(F)(F)F 810381106 IWJYKUUJXATLNB-UHFFFAOYSA-N 418.347 0.783 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 812499958 ORBMHZMLCVWMBI-UHFFFAOYSA-N 422.279 0.743 30 20 HCED C#CC[C@@]1(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 816492004 FWGSSTPJZOCHCW-SFHVURJKSA-N 404.471 0.803 30 20 HCED C[C@H](c1ccccc1)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 816720992 PZNLXBFTEDASJB-ACJLOTCBSA-N 414.487 0.889 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1 819077198 VQCAGVHKLIORJF-KRWDZBQOSA-N 403.504 0.975 30 20 HCED CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918250186 FIVCAQRMUXIVGY-PXLXIMEGSA-N 423.495 0.079 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnccc1=O 1003123442 ALAOYROMWDYIMB-DZVNLGKHSA-N 400.479 0.863 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)c(C#N)cn1CCOC 1216502905 ZIJVZHSJLZVUCY-GDBMZVCRSA-N 420.514 0.939 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)C[C@H]21 1295454396 XLHFDDCQLYBIDH-NWANDNLSSA-N 417.466 0.972 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)CC(C)C)CC3)CC2)o1 1319402871 CVWVEVURLXRZHO-UHFFFAOYSA-N 402.499 0.694 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c(=O)n1C 1459213508 ZXTOWEOYALLYKL-UHFFFAOYSA-N 415.494 0.415 30 20 HCED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1516854667 SXRMULKPEOPMCM-CXAGYDPISA-N 409.516 0.299 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1548317095 YXUVLWIWKFAKDJ-AWEZNQCLSA-N 416.507 0.918 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1556619627 QOVWYIIJHYLYMP-APHBMKBZSA-N 411.505 0.403 30 20 HCED N#Cc1cn(CC(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)c(=O)nc1O 1633356064 MRNSGNNLPHWMHZ-LJAQVGFWSA-N 416.459 0.887 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1666004169 DMDUACYXRUGXJH-LJQANCHMSA-N 422.507 0.409 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1697001236 QEORSBWAVABUKJ-UHFFFAOYSA-N 416.507 0.966 30 20 HCED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1730587855 OQXFIJREXYPCLT-NQIIRXRSSA-N 412.494 0.735 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)C)CC1 1769368776 OGTJKZCXUFBQDS-UHFFFAOYSA-N 417.539 0.896 30 20 HCED COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1770548411 JATQPDZSKAXPLR-SJKOYZFVSA-N 423.474 0.782 30 20 HCED N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1770736044 SJRFBKIGFGQKPN-SFHVURJKSA-N 421.461 0.794 30 20 HCED CN1CCN(CC(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1778256969 AUYNMUOQMLIRDK-HSZRJFAPSA-N 410.518 0.115 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3OC)CCO2)C1 1778968268 QQTOMYJXTUQOCW-JLTOFOAXSA-N 404.467 0.502 30 20 HCED 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CS(=O)(=O)Cc1nc(=NC(=O)N2CCCN(c3ccccc3C#N)CC2)o[nH]1 462268387 KRHTXJOTHCKSLJ-UHFFFAOYSA-N 404.452 0.652 30 20 HCED CN(C)CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCS(=O)(=O)C1 467426581 GBHMOHGPGBGWQB-KRWDZBQOSA-N 401.492 0.935 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN[C@H](C(=O)N(C)Cc1nnc2n1CCC2)C(C)C 471001876 UDUFBNNYRNBYIX-BEFAXECRSA-N 403.531 0.805 30 20 HCED CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472873856 WMXKKAOHXGFMRJ-UHFFFAOYSA-N 423.477 0.524 30 20 HCED COc1ccc2nc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C)c3=O)sc2c1 473416686 SPLUYGZIZRFZNU-UHFFFAOYSA-N 412.496 0.847 30 20 HCED CN(C1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1)S(C)(=O)=O 473613673 ZEYGMZBBAIWQKM-GOSISDBHSA-N 418.519 0.932 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 475563284 IIRGNYSDHDMGCB-NSHDSACASA-N 405.885 0.183 30 20 HCED CCn1cc(CN(CCO)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 477450632 WXICQFWNUDXEMQ-UHFFFAOYSA-N 405.480 0.416 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 478850867 FEOLFQUJUIBCMB-UHFFFAOYSA-N 403.533 0.303 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 479887308 NSAGRJDIKZUSIM-DOTOQJQBSA-N 408.524 0.698 30 20 HCED C=C(C)Cn1c(SCC(=O)N2CCN(CC(N)=O)CC2)nnc1-c1ccco1 481163655 ASJXTPTZYISAOX-UHFFFAOYSA-N 404.496 0.836 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 482490367 NMXKOJMKKMTPMD-WBMJQRKESA-N 408.480 0.012 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2C)CC1 489155751 KJGLQEWZCRSQIS-UHFFFAOYSA-N 402.545 0.484 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 504436554 YONHMJYLXBTSMI-KURKYZTESA-N 413.478 0.989 30 20 HCED CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 505236034 SWCFECBYYOWPNJ-KSSFIOAISA-N 406.508 0.942 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCCN(C)S(=O)(=O)N(C)[C@H](C)CC#N 509223108 JHTCRUBRGFWJPB-HUUCEWRRSA-N 422.577 0.198 30 20 HCED COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c1 509403690 NWJFTLCPEBTDSY-AWEZNQCLSA-N 410.496 0.940 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)n1 513274612 VRLFXPVFHBXJLU-NSHDSACASA-N 405.411 0.515 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)CN(C)C)CC2)c1C#N 513468779 KIFFSAXEICFRFB-HNNXBMFYSA-N 403.531 0.341 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514024582 MOCWNFJDZPFURL-AUUYWEPGSA-N 419.507 0.713 30 20 HCED CN(C)CCOc1cnccc1CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 516360596 CEMDCNDVPOQBOB-UHFFFAOYSA-N 400.487 0.973 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 519766481 FBXMKMBBCAOTHQ-UHFFFAOYSA-N 424.461 0.338 30 20 HCED CCCc1nnnn1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 520251055 GJDOMWIVYZNODY-UHFFFAOYSA-N 403.468 0.030 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)C1=O 522127797 AWFMEXWHXNCHNU-UHFFFAOYSA-N 422.463 0.469 30 20 HCED N#CC1(NC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)CCCCC1 523448991 SAQWQDBSJWQVPP-UHFFFAOYSA-N 413.526 0.778 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)s2)c1=O 523744419 KCFQTKWMTHIEAS-UHFFFAOYSA-N 421.544 0.582 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 524312129 NKOIEDQZAXJRMV-NSHDSACASA-N 416.406 0.638 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 538376111 ROYOTHMPAQAKLI-OAHLLOKOSA-N 411.553 0.210 30 20 HCED C[C@H](O)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 538391416 BCXREIMSMOTKDO-QFBILLFUSA-N 417.485 0.060 30 20 HCED C=CCn1c(Cc2noc(-c3c([N+](=O)[O-])cnn3C)n2)nnc1N1CCOCC1 544256177 BHYVKNJNSOWNIM-UHFFFAOYSA-N 401.387 0.583 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCC(n3cnc(C(N)=O)c3N)CC2)cc1 551046219 VWIWONJWWJXSDO-UHFFFAOYSA-N 402.480 0.547 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC3CCN(C)CC3)CC2)c1C#N 557090076 MHDTVGJVYXRBRZ-UHFFFAOYSA-N 401.515 0.097 30 20 HCED CNC(=O)C1CCC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 557877002 PBLQMVRQGSKFQI-UHFFFAOYSA-N 412.425 1.243 30 20 HCED CCNC(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 558484469 GATVFAMQUPTOMA-UHFFFAOYSA-N 400.460 0.903 30 20 HCED COCCN(CC(=O)N[C@H](C(=O)OC)C(C)C)S(=O)(=O)c1ccc(C#N)cc1 561398109 ORLFFXZLOHYPHT-KRWDZBQOSA-N 411.480 0.509 30 20 HCED Cc1nsc(N2CCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)CC2)c1C#N 574202891 LUNIEEVXHWNEMJ-HNNXBMFYSA-N 404.540 0.962 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)C(C)C 584520772 ZNLJTZLMFNPESV-IAGOWNOFSA-N 414.572 0.341 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)c1 586838338 WUGMAAKBGLKWBQ-UHFFFAOYSA-N 406.437 0.448 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccsc2)c1=O 604270383 XOVTYNYSODEAFI-UHFFFAOYSA-N 416.528 0.185 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)cn2)cc1 609405454 KDPOOZFSICJVRB-UHFFFAOYSA-N 422.401 0.742 30 20 HCED N#CCCCS(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 609541589 RLFCGXWBFFWPPN-UHFFFAOYSA-N 401.510 0.572 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2CCO)CC1 610676425 OXLRNXWXFGMXNL-GOSISDBHSA-N 420.535 0.628 30 20 HCED C=CCCN(C)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 670764663 LGNWWPLUDRERIN-UHFFFAOYSA-N 401.510 0.420 30 20 HCED Cc1c(C(=O)OCC(=O)NCC#N)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 731246043 SMIIWVLWVGWPAJ-UHFFFAOYSA-N 406.443 0.955 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](Cc2ccccc2)n2nnnc2C)CC1 735658055 UJQCDRXOAGWNLA-IBGZPJMESA-N 409.494 0.049 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1 742048708 OVLIIQRIGQXDSD-NBVRZTHBSA-N 416.525 0.766 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 745146550 ROWVPYXGYRHMCW-ZBEGNZNMSA-N 417.509 0.618 30 20 HCED C[C@H](CC(=O)OCC(=O)NC[C@@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 745498299 VMXNUEDLIHNVRJ-OLZOCXBDSA-N 409.464 0.342 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 747567303 NDDWIWKKAQCRBY-OIISXLGYSA-N 420.535 0.825 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2cc([N+](=O)[O-])nc2C)c1 749502976 ZJUXIXSZVMEXGQ-UHFFFAOYSA-N 411.418 0.973 30 20 HCED C#CCN1CCN(C(=O)Cn2nnc([C@H](NC(=O)c3ccccc3)C(C)C)n2)CC1 749873302 FZBCXCCFKPMCIO-LJQANCHMSA-N 409.494 0.578 30 20 HCED C[C@@H]1NC(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)=NN(c2ccccc2)C1=O 757156866 MKNJGVBCVXKGAW-CABCVRRESA-N 418.461 0.724 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cnc1Cl 760385268 OXHPUTYNTBAXLI-UHFFFAOYSA-N 404.879 0.480 30 20 HCED COC(=O)c1cn([C@@H]2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 760531907 JULDTLNSZAGCAC-FOIQADDNSA-N 423.433 0.608 30 20 HCED C#CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 765539750 OZXZYMYDISMXGH-UHFFFAOYSA-N 421.519 0.836 30 20 HCED C[C@@H](CC(=O)NCCS(=O)(=O)CC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 765704522 YVOQPIYNRWRISK-LBPRGKRZSA-N 413.521 0.445 30 20 HCED COc1ccccc1CNC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769821717 BJRXRYYAWUASSS-UHFFFAOYSA-N 417.443 0.705 30 20 HCED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 770869032 QHVVSEDQBAUIPK-HNNXBMFYSA-N 402.432 0.646 30 20 HCED C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@@H]1CCCO1 775325644 DDPWEIUZCIZSDT-OALUTQOASA-N 419.503 0.450 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)cc1 782139871 YCAOANSSWCRUMG-UHFFFAOYSA-N 413.434 0.511 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 782987174 KBLRVAAGBUWNEC-UHFFFAOYSA-N 422.550 0.350 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC)cc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 783482543 YGCWCJUKIAJFBZ-GFCCVEGCSA-N 408.432 0.069 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 784925765 FOVGIBFLRUNZDS-UHFFFAOYSA-N 410.474 0.172 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cccnc2-n2ccnc2)CC1 787441384 FAWHZNIGCHVXKY-UHFFFAOYSA-N 416.445 0.499 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](O)C2)c1 789787353 YZLFGGVHHHLANT-IXPAQYDLSA-N 408.480 0.421 30 20 HCED Cn1nccc1COCC(=O)[C@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 793124215 JZJFDXPBOXXQJU-LBPRGKRZSA-N 415.362 0.964 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)Cc1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 793323809 ZGODIOCOZUBBFG-LBPRGKRZSA-N 422.488 0.545 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc3c2OCO3)c1=O 794645581 PJCJEGCHFVVRLX-HNNXBMFYSA-N 422.462 0.770 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccnc(C#N)c3)C2=O)cc1 795966894 IYMKVQQLKZZNTA-FQEVSTJZSA-N 423.385 0.617 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(CC#N)CC#N)ccc2F)CC1 800892378 BHVIYIYCXGDQHE-UHFFFAOYSA-N 407.427 0.168 30 20 HCED CC[C@](C)(C#N)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 803785768 SQWFTMMYDCSCSC-RTBURBONSA-N 402.407 0.976 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1ccncc1 805812167 RITGOWSNVMNLFM-QGZVFWFLSA-N 408.462 0.658 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F 806897717 WZSAWFAUPFYBCE-CQSZACIVSA-N 423.470 0.213 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)CC1(C)OCCO1 807422865 GUKCQZUTIYSGNZ-OAHLLOKOSA-N 401.467 0.507 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 807534662 KQIQRBJOCIRCHY-MRXNPFEDSA-N 407.492 0.810 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)cn2)cc1 811318209 HJZDUTCLGTXEKE-UHFFFAOYSA-N 402.432 0.725 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1CCNC1=O 849189106 XUVNQNVBFJRCEL-UHFFFAOYSA-N 408.480 0.854 30 20 HCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccc2)c1=O 916199024 ZMHTYPUGEKAYDQ-UHFFFAOYSA-N 409.467 0.969 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1nnn(C(C)(C)C)n1 996739199 FKZAPJOJULXVCH-OWYFMNJBSA-N 402.499 0.810 30 20 HCED CNC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1253011630 IMJIHMOOYINHPH-UHFFFAOYSA-N 413.459 0.460 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1291321760 NJWWYQVAMJEAHF-BKTGTZMESA-N 415.429 0.907 30 20 HCED C[C@]1(CO)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 1320083530 YYEFQKPJULPPHE-FQEVSTJZSA-N 420.535 0.486 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1323257176 MNVPBCCESJKVKI-CQSZACIVSA-N 424.504 0.208 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1352234612 JMHFMPSIAJMUCV-UHFFFAOYSA-N 419.463 0.790 30 20 HCED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1503863426 NNBFBEBEJJFUNH-LAUBAEHRSA-N 410.478 0.883 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1538701188 MGTDZQFMXVXFFG-BYCMXARLSA-N 411.867 0.493 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566235339 PYIHERYWKREPSY-WBVHZDCISA-N 420.897 0.716 30 20 HCED Cc1nnc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)s1 1652258485 QLCSIYDGWXDDSV-LBPRGKRZSA-N 420.520 0.734 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1655747851 ZGSVLJZNYSDOFE-LSDHHAIUSA-N 413.521 0.987 30 20 HCED CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697030480 HFKFHYYRGKMOTN-HZPDHXFCSA-N 423.543 0.245 30 20 HCED 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HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(C)C)CCO2)C1 1830018244 PVHRPOVQAQAAIZ-HXUWFJFHSA-N 412.483 0.377 30 20 HCED CC(C)n1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830056616 HMMGEXQEVYKBKE-LJQANCHMSA-N 404.471 0.479 30 20 HCED COCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830479110 CHTFBJGJFKFNMG-DOAWATSRSA-N 410.515 0.341 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1830526226 SOHPFHJICKBPKT-GHTZIAJQSA-N 419.453 0.467 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3)C2)C1 1831391213 KEZLUWBXWSNMSY-HTAPYJJXSA-N 418.465 0.863 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C)n3)C2)C1 1831393374 KVVIOUJESOAANU-AVRDEDQJSA-N 415.490 0.807 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1831422007 XYKKFZBEINBLRQ-QRWLVFNGSA-N 420.466 0.273 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1831424559 LEWOVDBOYGLQAD-LAUBAEHRSA-N 420.510 0.873 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3(C)COC3)CC2)CC1 1833138100 CQSBJPOXBOGVJH-PLNGDYQASA-N 418.538 0.453 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1833190746 AFBQTAIJRSJQPK-OPYAIIAOSA-N 418.494 0.014 30 20 HCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1ccnc1 1833378440 OCEICUORMMPFMP-OAHLLOKOSA-N 401.467 0.104 30 20 HCED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1834235557 QEYRRJTWVMMPOA-OAQYLSRUSA-N 409.446 0.676 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)COCCOC)CC2)CC1 1834565315 HEFOAQAUFKDOGX-KRWDZBQOSA-N 409.527 0.259 30 20 HCED COc1cncc(CCC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834756317 TZOCRAJLSKNJSX-HXUWFJFHSA-N 402.451 0.393 30 20 HCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1Cl 1835342006 HRMILEGHWNGQLZ-IBGZPJMESA-N 421.885 0.999 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n[nH]1 1836282792 YJINTUJIKJBMRK-FQEVSTJZSA-N 401.467 0.736 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837394784 JQNOXDWEXODQRJ-OXQOHEQNSA-N 404.467 0.120 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837441119 SIXFSNTZTXFUOX-VMHRPQTGSA-N 416.482 0.018 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838052418 AKGIJKWRPKBRTG-QFIPXVFZSA-N 423.473 0.955 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838147006 JVMSQKBUCYLOIS-DYESRHJHSA-N 418.494 0.320 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1838949773 SRMRLSJULCYMDT-QFIPXVFZSA-N 412.490 0.724 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4O)C3)C2)cc1 1838951991 VALNACONXZBUII-NRFANRHFSA-N 423.429 0.438 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccc3-n3ccnn3)C2)C1 1839809037 CAEGVTHBEBYQEN-OAQYLSRUSA-N 409.446 0.279 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1839846316 OIQNFUXFMDTFGH-FRQCXROJSA-N 414.524 0.232 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1839889135 DQNVTJGPHLLFAQ-KBXCAEBGSA-N 415.437 0.345 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840169994 WXKUBZDRTGRPOM-NRFANRHFSA-N 405.495 0.259 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2)C(F)(F)F 1840421133 JJBSQCNBWMWBFV-BBRMVZONSA-N 417.388 0.414 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)CCC1 1840458705 WBTUAKQYRWAZPE-OAQYLSRUSA-N 413.478 0.559 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840485497 YJPLZBFMTYBLGA-WUUFJKRQSA-N 418.519 0.865 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840855246 BHAQKEMMHHZHAX-XUWXXGDYSA-N 401.529 0.066 30 20 HCED CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)Cc3ccc(C#N)cc3)C2)CC1 1841099832 YHCYHUZOZJEJPU-UHFFFAOYSA-N 409.534 0.942 30 20 HCED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1841136834 RGJGWXGHJRXMLK-UHFFFAOYSA-N 424.505 0.775 30 20 HCED CCOc1c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cnc2c1cnn2C 1843214824 GFEMZPREXKKEMR-UHFFFAOYSA-N 411.418 0.272 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1Cc2ccccc2CN1 1847261276 FOVKIGXDIINGGG-LZKQAESESA-N 408.502 0.761 30 20 HCED C#CCNC(=O)COC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 8558388 OGMAQBHURXYYJI-UHFFFAOYSA-N 411.443 0.615 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 410136781 UPGYDIMIIXGSNA-INIZCTEOSA-N 402.517 0.197 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCO1 410405862 ZSAONBSKDLIYSB-HOCLYGCPSA-N 414.434 0.515 30 20 HCED COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C)c1=O 429800098 QJOWIGDDBUMSPL-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 434820788 HJBULIIZZWTDHZ-XJNFMUPTSA-N 423.473 0.977 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1S(=O)(=O)N[C@@H]1CCOC1 434994297 IHBTWAUMEHTOCV-GXTWGEPZSA-N 424.479 0.319 30 20 HCED CC#CCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 440611408 GUFDOCUXFDPQQK-UHFFFAOYSA-N 409.464 0.184 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 441395635 AFJOEWCSRKLZHX-MRXNPFEDSA-N 410.478 0.973 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cnn1-c1cccc(C#N)c1 443730574 HEIDMSOEVREPNZ-SFHVURJKSA-N 423.521 0.997 30 20 HCED COCCn1c(N)c(C(=O)CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(O)nc1=O 447908537 BRROBVOQOZNXDP-KUHUBIRLSA-N 405.455 0.287 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 464957124 WHDFGXVSJVDDAL-VXGBXAGGSA-N 411.388 0.732 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C1CC1 479362844 JWFODFZQOPGOMN-GFCCVEGCSA-N 414.487 0.302 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 479928738 SIIKFUNYPUXQDQ-NSHGMRRFSA-N 415.538 0.806 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)c1 485930783 ISAOWCNXFCGFKX-UHFFFAOYSA-N 423.491 0.546 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 487592834 QNDXANORAUKHLC-UHFFFAOYSA-N 423.521 0.917 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H](CNS(N)(=O)=O)C1 500314227 KHJGEBGNNDAAPV-HZPDHXFCSA-N 423.539 0.835 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 505154758 LRRAWKLTQUQJHL-UHFFFAOYSA-N 405.524 0.379 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 508969742 OEKZIUSJJIYNPE-UHFFFAOYSA-N 409.233 0.933 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 512154657 OJRGHOYSDVGSJW-OAHLLOKOSA-N 403.464 0.985 30 20 HCED COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 514177104 AQCULQXANXPOAX-LJQANCHMSA-N 407.474 0.976 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCCOc1cccc(C#N)c1 518917452 YQTCJKYBJLCPKU-INIZCTEOSA-N 407.492 0.869 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 550654734 IOTGFXGZILNBEE-UHFFFAOYSA-N 424.461 0.751 30 20 HCED C=CCN(C(=O)NCCS(=O)(=O)N(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 555181579 UCDLIBSRRJOICR-AWEZNQCLSA-N 407.500 0.812 30 20 HCED N#Cc1ccc(C(=O)CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 560750981 SOMLVGJQOCZNGD-UHFFFAOYSA-N 402.410 0.929 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[C@H]1N1CCN(C)CC1 561013729 DHBWTIHKEFJALT-DOTOQJQBSA-N 415.542 0.933 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 561413299 XONNCXXOYAXTKJ-MRXNPFEDSA-N 400.545 0.073 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 573945270 WDDBFTUDSZJXNU-LJQANCHMSA-N 401.511 0.307 30 20 HCED CN(C)CCN1CCC(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 574965861 SBDRGBZPNJPNII-UHFFFAOYSA-N 410.482 0.220 30 20 HCED N#CC1(CNC(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 578586512 KOBNZIMIUQHAPX-UHFFFAOYSA-N 409.446 0.859 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)ccc1C 584271283 YLELITWMNQTXPX-UHFFFAOYSA-N 413.499 0.830 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)cc1 588291181 ODVRBOYWZKSWCM-LBPRGKRZSA-N 420.451 0.321 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 588949239 SCIKWIBSTOHGSO-MRXNPFEDSA-N 403.870 0.666 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 590096981 XUJHYTULIAIFDK-UHFFFAOYSA-N 421.523 0.395 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCOCC3)cn2)c1 603156296 RQEMBBAQSRXBKB-UHFFFAOYSA-N 401.448 0.707 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)o2)c1=O 603795307 RSRIKJUZELMRAG-UHFFFAOYSA-N 414.531 0.888 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1 606029403 DXDUPSGJODDNAS-UHFFFAOYSA-N 423.495 0.473 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCc3cccc(CS(N)(=O)=O)c3)CC2)c1 619735029 ZMWIWYBQQXBNAQ-UHFFFAOYSA-N 414.491 0.774 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCCNc2ccc(C#N)cn2)C1 728946945 VHRUFCUEHHWXTI-MRXNPFEDSA-N 416.482 0.808 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCCn2ncc(C#N)c2N)CC1 729806653 NREUVKQKAHKIAM-UHFFFAOYSA-N 422.467 0.586 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCOC2)cc1 730071949 FBNUIMORDJGZOX-IKBYJFNHSA-N 408.480 0.733 30 20 HCED Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1S(=O)(=O)NCC#N 731183628 NKTGRRGXUIAGCY-KRWDZBQOSA-N 412.471 0.849 30 20 HCED C[C@H](OC(=O)Cn1ncn2nccc2c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 732865158 YYUDGDMAXSAEDA-JTQLQIEISA-N 400.782 0.986 30 20 HCED NC(=O)CCn1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 735477333 QLDGLFFHJWROHJ-UHFFFAOYSA-N 404.452 0.216 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 737206885 BMSVECFSIADFNT-UHFFFAOYSA-N 405.407 0.740 30 20 HCED Cc1cc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 738860749 NQZNSHYRQGQRKC-IBGZPJMESA-N 401.423 0.152 30 20 HCED CCn1c(S)nnc1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742635120 DCTMKHHZIQWFIO-SNVBAGLBSA-N 408.509 0.720 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 742904355 FIXXVJBRISMDJM-CQSZACIVSA-N 422.488 0.407 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1 745151395 JEUKFJVQLCKVIC-HNNXBMFYSA-N 403.482 0.230 30 20 HCED Cc1nc2sc3c(c2c(=O)n1N=Cc1c(N)n(C)c(=O)n(C)c1=O)CCCCC3 749812569 OWHJJXRWZXOUDO-UHFFFAOYSA-N 414.491 0.897 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)CON=C(N)c2ccc3c(c2)CCO3)CC1 753822137 MIWNUJFNCYXXGC-UHFFFAOYSA-N 417.510 0.317 30 20 HCED COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1F 757112758 BEPIKMCXIHHXOM-INIZCTEOSA-N 405.407 0.895 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758585408 MEOZKMQBNPQNEN-UHFFFAOYSA-N 409.515 0.567 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(F)ccc2Br)c(=O)n(C)c1=O 761266197 FIOQTGMUXXMOPX-UHFFFAOYSA-N 419.232 0.298 30 20 HCED C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 764687249 VKSHVMMUEWDIOK-ZSCVRGEUSA-N 422.507 0.979 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 767634156 FEYULWMIHNRNEE-VXGBXAGGSA-N 424.479 0.781 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1CCCO1 773799159 UZHHLPOXTGVOJU-IRXDYDNUSA-N 405.476 0.157 30 20 HCED CCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1=O 779251540 UENPAEQSQIAPKQ-ZDUSSCGKSA-N 406.508 0.973 30 20 HCED O=C(NCC#CCNC(=O)c1cc2nn[nH]c2cc1F)c1cc2nn[nH]c2cc1F 781971076 PZMDHLBFFWCOBU-UHFFFAOYSA-N 410.344 0.671 30 20 HCED COCCOC(=O)c1c(NC(=O)C(=O)N(C)[C@H](C)CC#N)sc(C(N)=O)c1C 784438032 BEWMMECJXUYCBO-SECBINFHSA-N 410.452 0.658 30 20 HCED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 784849961 VJZHEYYSUSOFSR-INIZCTEOSA-N 420.473 0.444 30 20 HCED COC[C@@H](C#N)OC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 785123553 MCDIBLMVOQLCBU-CYBMUJFWSA-N 423.447 0.851 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 785265046 PAIFBFPRRDETKW-ZDUSSCGKSA-N 412.443 0.924 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCC4(CC3)OCCO4)CC2)c1C#N 787414529 ZCRGKJKYXDVRFZ-UHFFFAOYSA-N 416.482 0.051 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)C1=O 789573570 WIIBUEDVOHSZAP-INIZCTEOSA-N 400.435 0.505 30 20 HCED 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0.940 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)cn3)[C@H]2C1 1786275128 OQBJGLLFFOGPLJ-QXRTWZOPSA-N 403.479 0.954 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787015743 SYRJZAKICQLIHV-XSLAGTTESA-N 417.506 0.401 30 20 HCED CC(C)Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n(C)n1 1787212866 CMZYGEPXHAWXKI-ZVZYQTTQSA-N 416.478 0.300 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnc3)C[C@@H]21 1788570448 SQYJKSLGRINZAD-RSJGLCBASA-N 404.511 0.997 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc[n+]([O-])c3)C[C@@H]21 1788676728 BVQFODUETFYMES-VEOJPIIHSA-N 412.446 0.625 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OCC)CC3)[C@H]2C1 1790718002 VKVHFFCEISIKSB-QZWWFDLISA-N 408.495 0.901 30 20 HCED CSc1ncccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077203 OYXUVOVFIXKWHK-QEJZJMRPSA-N 403.460 0.485 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(S(C)(=O)=O)ccc3Cl)[C@H]2C1 1792102028 CSPSZCMWNXRPJZ-NUTKFTJISA-N 424.906 0.970 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)c(O)nc3=O)[C@H]2C1 1792132654 FSPLTEKZGWXCOH-IWCQGFGOSA-N 418.494 0.449 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cnc3ccccc31)C2 1793347926 PYJJFIRBYGYZQJ-OPOADAIRSA-N 410.474 0.664 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2 1793600157 WNNDHGAAHXRPAL-IBEHDNSVSA-N 411.499 0.426 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794603006 GWHAVVRTFSDDDR-HGTKMLMNSA-N 407.471 0.745 30 20 HCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795471409 XCSPEYOCAIPIPA-SCAQPMJSSA-N 401.454 0.510 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCc1[nH]cnc1C 1797662476 CYDTXHIOLUYSFH-GGXPGOJBSA-N 420.535 0.579 30 20 HCED 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401.423 0.358 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1822930595 OQVQJGUAGZZDDR-NSHDSACASA-N 405.432 0.653 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)N(C)C)CC1 1823877975 TXHVVEDGFFYEQN-SJLPKXTDSA-N 406.527 0.916 30 20 HCED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CC(=O)NC2=O)CC1 1823884513 UWLKVCOGNMHOKA-OAHLLOKOSA-N 403.483 0.708 30 20 HCED C#CCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)NC(=O)OCC)CC2 1826038918 CJWYWJKPXYVJQV-BZNIZROVSA-N 408.480 0.923 30 20 HCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1826428241 BROMICQLHJFQEQ-OAHLLOKOSA-N 422.551 0.535 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1826681056 YXDMSNANBFJJOX-GJZGRUSLSA-N 401.467 0.508 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3CCOC3)sc2C1 1827158773 HEIWXVLJGTVSAI-IBPBTGAJSA-N 404.492 0.950 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829564124 QWNYCZLKXYYSAU-GTNSWQLSSA-N 415.899 0.829 30 20 HCED COC(OC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1831037966 AVFWOHGMNDDAGT-OAQYLSRUSA-N 417.462 0.442 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CCC(N)=O)CC1 1831400353 SSXATODHCSSZLD-NBEHIINDSA-N 404.511 0.730 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831426099 IVALQNYZGCDFQX-YKABMDOLSA-N 419.478 0.746 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831486484 YCMFUMDQWJFJPT-FXAWDEMLSA-N 423.535 0.410 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1831498069 ISFIQNOIYGRVMB-XDCWJTEKSA-N 412.552 0.965 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833125492 WXJVEWWYYHWFIB-OXQOHEQNSA-N 419.482 0.276 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)F)c1)CCO2 1833324216 NZVKLDQEYVKQHD-LJQANCHMSA-N 423.372 0.177 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnn1C)CCO2)C(F)(F)F 1834238842 MPFNQTVPSSHIRH-MRXNPFEDSA-N 402.373 0.609 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(F)(F)F)CCO2 1835327650 ODMAYWAKFCPNHC-LIMHQNJXSA-N 419.400 0.254 30 20 HCED Cn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c2c1CCC2 1835342412 ZDVZLMJOUGJNJS-OAQYLSRUSA-N 413.478 0.283 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411441 CEWIYLWLMRFBKT-GCJKJVERSA-N 419.522 0.834 30 20 HCED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835887389 YYGLBWYEZPXVGZ-HXUWFJFHSA-N 403.483 0.344 30 20 HCED Cn1ncc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1Cl 1836043472 XXXLFGCKUNXJIV-UHFFFAOYSA-N 421.885 0.347 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836152076 JCXJJPXRVRWDBV-UWJYYQICSA-N 403.479 0.672 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)no3)C2)C1 1837395192 SHDCGAYWJGEBAP-JXFKEZNVSA-N 407.467 0.626 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)CC3CC3)C2)C1 1837527313 LFJGCLIUYNPXGI-DSLRRYSGSA-N 409.483 0.772 30 20 HCED COCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527609 QUAIDHRZUDRIOS-WPWRXMBVSA-N 413.471 0.008 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)on1 1837561541 RUPVSIRCICKENQ-KQBANSRISA-N 416.434 0.765 30 20 HCED CCc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1838055900 MDRKPABAOWFMEZ-HXUWFJFHSA-N 402.451 0.919 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838161430 LKXVLNYLSZJZKL-IBGZPJMESA-N 408.405 0.980 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839762571 UIMHHILYZFUZMK-NRFANRHFSA-N 420.506 0.980 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4cc(Cl)ccn34)C2)C1 1839807491 CWMKFPJBPLDOAF-LJQANCHMSA-N 402.838 0.691 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)CCO2 1840147999 DZIPNEKDFQKWEX-FGSXEWAUSA-N 420.506 0.836 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840166360 FJEDCZODJRIIFL-DLBZAZTESA-N 406.401 0.560 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1840841986 GLUUUQSYFDLJKF-YCRPNKLZSA-N 400.479 0.943 30 20 HCED CN1N=C(C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)CCC1=O 1841864596 KSMXWQIJJIJSCZ-UHFFFAOYSA-N 400.479 0.497 30 20 HCED CN[C@H](CC(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2)C(=O)O 1842951762 CYCCHVUAICCGMI-MRXNPFEDSA-N 400.435 0.447 30 20 HCED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)cc1 1843235349 PXQBQMPDPOKYSX-UHFFFAOYSA-N 418.417 0.009 30 20 HCED CC(C)(C)OC(=O)NCCOCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194766 NXTGVXHNOVJVBP-UHFFFAOYSA-N 423.466 0.209 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccc(C#N)cc2)CC1 1847308414 OJFZXHIUNUDYMC-SFTDATJTSA-N 423.517 0.467 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 409479110 VNGIEYIMWLNVBJ-UHFFFAOYSA-N 417.576 0.310 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 409521037 LFLYXWZKKYHKNQ-MRXNPFEDSA-N 414.553 0.860 30 20 HCED CC(C)(C)NS(=O)(=O)c1ccccc1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 409582306 PAYVYGKNSLUBSP-AWEZNQCLSA-N 416.525 0.322 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)c1 410152984 FZRYHTKUJUFBNP-IAGOWNOFSA-N 424.479 0.210 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(C)C)C(=O)[C@@H]3C)CC2)o1 426216414 MWXZKUWTFSAWSB-HNNXBMFYSA-N 402.499 0.692 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)C1=O 426846708 APKKMAOSVGOEPA-MRXNPFEDSA-N 412.446 0.313 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2=O)cn1 428204914 GULOEUAQGLKSIY-UHFFFAOYSA-N 410.434 0.917 30 20 HCED Cc1nc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)ccc1C#N 440039839 ULXYHTCLNYPVSS-UHFFFAOYSA-N 405.402 0.853 30 20 HCED CC[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 440108004 QRECSFQEIIIQRC-HNNXBMFYSA-N 414.441 0.737 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2SCCC(N)=O)C1=O 440269415 IDPQZVULLGAGFD-CQSZACIVSA-N 404.492 0.838 30 20 HCED Cc1cc(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)nn1CCC#N 441760500 NSYOYPMOTNOUCJ-UHFFFAOYSA-N 412.422 1.483 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCCCC[C@H]3C(N)=O)n2)c(F)c1 442098612 AAYFMKGRAZYECO-HIFRSBDPSA-N 412.425 1.372 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 443071190 BVYHOFMJFBSVIL-UHFFFAOYSA-N 418.454 0.505 30 20 HCED C=CCNC(=O)Cc1noc([C@@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 445340101 HZJDSWSVPFLBMC-LLVKDONJSA-N 407.452 0.912 30 20 HCED COCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 461638089 WXKNDIZZQMYPSY-KRWDZBQOSA-N 423.491 0.653 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C 462109341 PRPQGKHFCVSAPO-QGZVFWFLSA-N 411.466 1.452 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2nccnc2c1 465415890 JMTYWEWBYGCAJC-ZDUSSCGKSA-N 402.418 0.967 30 20 HCED C=CCn1c(O)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 470824883 QCWPFLPFRFTJHJ-UHFFFAOYSA-N 423.520 0.795 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H](CO)O1 470924806 AJDYIQCQZKDSNY-SMDDNHRTSA-N 403.826 0.944 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)cc1 471093673 BMWPQMTUHZZOAS-UHFFFAOYSA-N 417.466 0.640 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 471314920 BZNZFZSUWLMFMW-SJORKVTESA-N 410.492 0.176 30 20 HCED COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2c(C#N)c(C)nn2C)CC1 472427416 RSSLNYBCJTZZHE-UHFFFAOYSA-N 418.479 0.361 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480308024 XDNGTIGQBAXMOQ-OAHLLOKOSA-N 421.523 0.831 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 482186558 UYIUJKBBSJJJDV-WBMJQRKESA-N 419.484 0.870 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 483878981 CKIPWBKXNYDHBC-UHFFFAOYSA-N 414.462 0.672 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1F 484593800 AJBWFAOVPKPWMM-UHFFFAOYSA-N 403.504 0.973 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2Cl)c1=O 487358867 AEZGFSUSRHSEQX-UHFFFAOYSA-N 409.870 0.988 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)n2)cc1 490849970 NMDUOWJMUDWERH-UHFFFAOYSA-N 417.433 0.275 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccccc3OCCO)n2)cc1 491249592 ZOTSGNTZMOHWSO-UHFFFAOYSA-N 420.429 0.824 30 20 HCED N#Cc1ccc(CSCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 502726900 XCOUMXVGWAYNOA-SJORKVTESA-N 409.533 0.405 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)OC)C1 508838868 AVKKZPFTBVHBFY-HNNXBMFYSA-N 410.434 0.756 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCO1 511256448 GCERPLZELFBSAT-UXHICEINSA-N 419.551 0.348 30 20 HCED N#C[C@@H]1CN(C(=O)NCCNC(=O)c2cnccn2)C[C@@]12C(=O)Nc1ccccc12 513993015 XGHJHLJAFHNVEU-ZUOKHONESA-N 405.418 0.261 30 20 HCED COc1ccc(I)c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 518517162 IVBZFSYZBRKRAX-JTQLQIEISA-N 415.187 0.989 30 20 HCED Cc1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)cc1S(=O)(=O)NCC#N 521760094 BVSZDLODQIZHIM-UHFFFAOYSA-N 402.432 0.913 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)C1=O 524861696 PILJAFJYTKPWMC-UHFFFAOYSA-N 420.447 0.351 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)o1 527262208 HKBMZNZDPHRTKD-LAQRGFTBSA-N 423.473 0.994 30 20 HCED COC(=O)c1csc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 530466849 QDHHMLOAICBUIN-UHFFFAOYSA-N 416.463 0.736 30 20 HCED C=CCN(Cc1nc2c(c(O)nc(=O)n2CCCC)n1C)[C@H]1CCS(=O)(=O)C1 533388004 XGNFPVKBTAXBAP-ZDUSSCGKSA-N 409.512 0.811 30 20 HCED C=CCN(C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 534930029 HFDNPVDIWNZQMC-OAHLLOKOSA-N 409.464 0.796 30 20 HCED CNCCCc1[nH]nc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)c1C#N 536306906 NBQABRPXHZOPIV-UHFFFAOYSA-N 424.509 0.896 30 20 HCED COCCCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 536993215 LVXOSPGBRMWFQE-ROUUACIJSA-N 414.572 0.204 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCSC[C@@H]2C#N)c1 540428821 DYQOIIANTPATBP-HNNXBMFYSA-N 424.548 0.914 30 20 HCED CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542075356 JBPVOSQXYKIJLL-NSHDSACASA-N 407.427 0.761 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1=O 542479960 YTOPCLQSDGARHC-KRWDZBQOSA-N 414.462 0.236 30 20 HCED N#Cc1cc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)CN3CCCC3)c2)ccc1F 542936994 YTSZTGDBVOFWNK-INIZCTEOSA-N 400.414 0.928 30 20 HCED C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549665866 YZZQWSRKYSSAFF-MRXNPFEDSA-N 404.515 0.875 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)C(=O)Nc3cn(C)nn3)c(C#N)c2N)cc1 550253487 NDPPORIGAQWGSV-UHFFFAOYSA-N 407.438 0.451 30 20 HCED N#CC1CCN(C(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 550448465 HMFPOOGFQNMIFH-UHFFFAOYSA-N 420.491 0.086 30 20 HCED CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 551446676 GYOZUNCTSKOWKG-HIFRSBDPSA-N 400.439 0.352 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 552552533 HNAUTIKDTADOQI-GUDVDZBRSA-N 421.519 0.957 30 20 HCED COC(=O)c1cn(CCNC(=O)N2CCN(c3snc(C)c3C#N)CC2)nn1 555161627 QNFWBGKIWXEUOX-UHFFFAOYSA-N 404.456 0.233 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN4CCCC[C@@H]34)C2=O)cc1 556361239 SSBXNUWKZNRFEL-FHWLQOOXSA-N 409.490 0.913 30 20 HCED CC(C)C(=O)NC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 562117028 HERCYXHPZVYWBC-MRXNPFEDSA-N 406.508 0.847 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)cc1 575755197 DHMDLDQAWJSLDI-UHFFFAOYSA-N 417.472 0.520 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC)Oc2ccccc2F)CC1 581392426 XOKVGIBGRYVYSU-MRXNPFEDSA-N 420.485 0.546 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1Cl 603660678 FBLDULGQPWRAEE-UHFFFAOYSA-N 412.899 0.377 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(C)C 603798358 BDWFCLCYNBSYTG-UHFFFAOYSA-N 415.515 0.840 30 20 HCED COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 609007653 GFRXIFSSRPZFSL-CYBMUJFWSA-N 423.451 0.105 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O 610608417 WVXKGRCRWAOGRX-ZMZPIMSZSA-N 403.826 0.987 30 20 HCED COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccn1 610810133 YWDBFEMEQHCZAH-BLLLJJGKSA-N 402.432 0.651 30 20 HCED C[C@@]1(C2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)NC(=O)NC1=O 613156859 BDEGWAMDYRXMGI-IBGZPJMESA-N 408.422 0.981 30 20 HCED C[C@]1(c2ccc(CNC(=O)NCCNc3ncccc3C#N)cc2)NC(=O)NC1=O 726241993 RKQXZWWQOCOJDB-HXUWFJFHSA-N 407.434 0.919 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 728532548 BAPVFVBJFWRQHM-SFHVURJKSA-N 414.481 0.572 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 729231473 WIFVSJSVVZASKW-UHFFFAOYSA-N 422.493 0.961 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 733772612 AEQGWQQNBPRNEF-AWEZNQCLSA-N 410.434 0.431 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 733884835 LFKBWGAOSMKNME-HNENSFHCSA-N 418.475 0.436 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](CN2CCOCC2)C1 742104902 NMTHWUKVTNPGCQ-MRXNPFEDSA-N 420.535 0.686 30 20 HCED COc1ccc(CNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1C#N 746680248 HZOXDWIZSTXLOS-UHFFFAOYSA-N 401.404 0.393 30 20 HCED C[C@H](CC(=O)NC[C@H]1CCCN(CC#N)C1)/N=C1/NS(=O)(=O)c2ccccc21 748320299 AOOQBMWGSYPUBL-HUUCEWRRSA-N 403.508 0.855 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2nn[nH]c2C1 748363333 MJYOAZVZNFXGCA-UHFFFAOYSA-N 402.480 0.989 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1C#N 752392885 AFXQJUTVZAMEMP-HNNXBMFYSA-N 402.455 0.427 30 20 HCED CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753359395 RFMZNPIBDRCZJI-UHFFFAOYSA-N 416.503 0.710 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c([N+](=O)[O-])c1 753827066 BELOEYBMMXVQNN-AWEZNQCLSA-N 415.406 0.827 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)C1 755544092 DIMGUKILDOAZEM-HIFRSBDPSA-N 415.450 0.528 30 20 HCED C[C@H]1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 760790967 VRFSYJBGPSOEOA-OLZOCXBDSA-N 413.521 0.539 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(CC(=O)OCC)C2)cc1 761232251 HLJQGVNSDWDGDK-MRXNPFEDSA-N 408.476 0.782 30 20 HCED COC[C@@H](O)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 766144324 CQBWRHKJDPZPNO-CYBMUJFWSA-N 404.379 0.005 30 20 HCED COC[C@H](O)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 766149727 QWYFUEXXMXTJEA-GUYCJALGSA-N 405.451 0.907 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NC[C@@H]1CCCO1 767633418 ASQXPYGJYYBJAP-YDHLFZDLSA-N 409.464 0.452 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CCC1 771071987 RDFDAWSURBMGSD-UHFFFAOYSA-N 420.495 0.045 30 20 HCED C=CCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 772713742 WGPRQIXULNBXKH-CYBMUJFWSA-N 403.438 0.380 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)nc1 774094972 MFNSVMPXSFTHGD-HNNXBMFYSA-N 420.429 0.325 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 780477686 DXRNWHPFZJKKBR-INIZCTEOSA-N 400.454 0.381 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)CC1 782101351 NLFBRSSBWXAGBJ-SFHVURJKSA-N 408.424 0.956 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1-c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 783480686 SIBWQFMZZLOPAD-OAHLLOKOSA-N 400.460 0.768 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(NC(=O)NCC)ccc1C)[C@H]1CCS(=O)(=O)C1 787559841 HPJKUCIQDVWHQU-HNNXBMFYSA-N 420.491 0.724 30 20 HCED CCNC(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 788130957 AJVKZWTXTPMEOG-UHFFFAOYSA-N 407.496 0.379 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCCO1 793741750 FRWXZSCSVWJFAF-MOPGFXCFSA-N 413.474 0.300 30 20 HCED C#CCN1CCN(C(=O)CSCCOCCN2C(=O)c3ccccc3C2=O)CC1 795246370 NXFOPALGCVJSIB-UHFFFAOYSA-N 415.515 0.810 30 20 HCED CC(C)OCCN1CCC(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 808519477 VNXHADAMMFTGEA-UHFFFAOYSA-N 402.499 0.487 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1CCCO1 809314074 XWZXTYMXUAYTOM-UYAOXDASSA-N 424.501 0.017 30 20 HCED COC(=O)CCN1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@@H](C)C1 809501916 XDJUPKKSHHQADX-AWEZNQCLSA-N 402.451 0.279 30 20 HCED C#CCONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 812785444 QNOUSKJXJNWOEI-UHFFFAOYSA-N 408.217 0.836 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 815861553 NVTFQYOQISUQQJ-IAGOWNOFSA-N 412.490 0.093 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 824266661 IGLRRTJIADMXKW-UHFFFAOYSA-N 410.408 0.833 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 831427270 SBDGRYYPJJVBBZ-UHFFFAOYSA-N 415.479 0.383 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 915006930 WRYMBNSFMIIKMT-IBGZPJMESA-N 423.491 0.919 30 20 HCED CCOC(=O)c1csc([C@@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)n1 920327890 LTPBSMATKWQMAQ-NSHDSACASA-N 406.445 0.994 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(=O)NC[C@H]3c3ccccc3)CC2)o1 1198043109 VQHYGRIETDAAQT-SFHVURJKSA-N 408.462 0.676 30 20 HCED CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1302426293 XZILHDYLKHVLBL-BLLLJJGKSA-N 410.475 0.638 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(C)(=O)=O 1305755807 OBBOYNMBVOJSLV-INIZCTEOSA-N 400.480 0.683 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C 1309629108 PDVCFTVCYAPZOF-RYUDHWBXSA-N 400.423 0.625 30 20 HCED N#CCNC(=O)CNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 1322594883 JGPPIBDZLOHNHI-UHFFFAOYSA-N 411.447 0.829 30 20 HCED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Br)CC1 1330914278 CYLDDGMZFJGURQ-UHFFFAOYSA-N 400.298 0.748 30 20 HCED C=C[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1342730077 UGGDFMURUWFVSL-GXTWGEPZSA-N 417.509 0.475 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 1347805613 PTAHMDUAMKJLPV-UHFFFAOYSA-N 418.465 0.351 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOCC1 1359142607 LJDJBRJBERRELX-ZDUSSCGKSA-N 406.940 0.409 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1516596044 GENVQNNLWYKHEX-KRWDZBQOSA-N 422.555 0.816 30 20 HCED CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1545698815 NGNBCRDBWVDVCS-RRFJBIMHSA-N 424.527 0.214 30 20 HCED COCCN1C[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1555571907 OSEPHPHDWZFZOA-AUUYWEPGSA-N 421.477 0.353 30 20 HCED Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1612612495 YIVSYZCWEOJASL-IEBWSBKVSA-N 417.491 0.586 30 20 HCED C[C@@H](CC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1638347813 LHBDMWIRYFPPHV-IHRRRGAJSA-N 406.508 0.912 30 20 HCED CNC(=O)CN1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1664342739 IKAPHDYCKDIQGQ-UHFFFAOYSA-N 415.313 0.763 30 20 HCED CC(=O)N1CCN(CCn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C#N)C2)CC1 1690867953 MSMFGYSSBKNMTH-KRWDZBQOSA-N 413.482 0.739 30 20 HCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1722480989 VQBPVDOUNKIIQM-WDEREUQCSA-N 419.305 0.526 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1723879596 LYTMHNCVOOHCDZ-HKUYNNGSSA-N 411.510 0.961 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779102473 YWABVOKRWXUSRL-VZNYNTKLSA-N 405.455 0.393 30 20 HCED COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779442538 SLKKIJZVWSGYTB-JGYVSQDVSA-N 421.494 0.875 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783440403 DGCADZHEZCSTEW-SDDUFFJTSA-N 406.479 0.751 30 20 HCED C=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)[C@H](C)O)CCO3)C2)N(C(=O)OC(C)(C)C)C1 1784088731 RAGDFVQLVRFQPQ-CKJXQJPGSA-N 423.510 0.763 30 20 HCED O=C(CN1CCOC1=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1784276100 LFWOQJPEGFMOKJ-FHWLQOOXSA-N 411.458 0.470 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 1784502771 FNGMTNVRUBQUAF-BVBHFADKSA-N 404.511 0.924 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784559881 FIOVIHKOGPBDGH-NRFANRHFSA-N 416.478 0.749 30 20 HCED Cn1cccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1785891152 KHMHIZYDKUKBIF-BQFCYCMXSA-N 401.511 0.900 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3(O)CCC3)C[C@@H]21 1788606359 LKYPMIALHDNOEL-WBJIMESSSA-N 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C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)C1=O 440281024 WUHULJGHBYBGQX-MRXNPFEDSA-N 402.451 0.385 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)c1 441875804 RIDFEEXWZRAEDD-HOTGVXAUSA-N 424.475 0.718 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 441971801 CQQVZZFBNLYLFG-HNNXBMFYSA-N 406.508 0.785 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCCCC[C@H]3C(N)=O)n2)cc1 442078153 JSCLODQMATWZIB-CVEARBPZSA-N 409.450 0.687 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCS(=O)(=O)CC2)cnn1-c1cccc(C#N)c1 443739780 ZTWBLOUBKTXURJ-UHFFFAOYSA-N 415.475 0.892 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 444315811 LHUJMJAFQUVBSK-BBRMVZONSA-N 413.521 0.651 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)o[nH]1 462269970 NHTOWBJYKYKCOE-UHFFFAOYSA-N 418.479 0.648 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(CC#N)CC2)c1 465145271 NJYGDAUGTVYIRK-UHFFFAOYSA-N 421.523 0.055 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465509272 USZGVZCOKLPYDL-ZFWWWQNUSA-N 408.484 0.131 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(F)c1 467140608 XVHVBWKBXQXFRE-UOVKNHIHSA-N 407.398 0.922 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CCS(N)(=O)=O)CC1 471049181 ZXSOSJMRSRKVHB-INIZCTEOSA-N 423.539 0.236 30 20 HCED C=C(C)COCCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 474533363 JHLOZSGLUJLWGR-UHFFFAOYSA-N 409.508 0.862 30 20 HCED CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 477679649 JXYNUDOHYMEADW-ZDUSSCGKSA-N 409.450 0.841 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C 480149347 BLRNYYYFDIRLTM-UHFFFAOYSA-N 415.471 0.278 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 480464119 AEJIPEBQSMLIGM-UHFFFAOYSA-N 400.479 0.719 30 20 HCED N#Cc1cc(Cl)ccc1CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 480734354 VWEJGNSYNKUOAG-QGZVFWFLSA-N 410.927 0.633 30 20 HCED COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 481054770 HPXWXPIOZJQETE-UHFFFAOYSA-N 416.525 0.482 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 481145251 SDRWIVUTELQRPA-DYVFJYSZSA-N 400.460 0.438 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481550227 ZJTMUDZZNCFVAE-DOMZBBRYSA-N 410.521 0.605 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(CCO)CCN2CCOCC2)cc1 483558852 GGRQKKVMLNPPOA-HNNXBMFYSA-N 410.496 0.531 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 484958759 NGMTUWPLDATCTK-UHFFFAOYSA-N 401.444 0.888 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H](CNS(N)(=O)=O)C2)cc1 500317433 PYGXLGRDNOHZRF-MRXNPFEDSA-N 423.539 0.837 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCCC2=O 504662220 SIPVPXHCFIHBRV-ZDUSSCGKSA-N 420.429 0.989 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 504968741 IEOBRILWGHHTFN-BBRMVZONSA-N 418.479 0.173 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCO[C@H]3CCC[C@@H]32)CC1 507721174 AGXOLUPZGVMCSW-ROUUACIJSA-N 418.519 0.644 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508872888 KTZKHCSFEHFWLB-IRXDYDNUSA-N 404.515 0.337 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1=O 510221552 GUNQEOOHNKVTFV-UHFFFAOYSA-N 408.436 0.161 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccnn2CC)c1=O 512757567 MRRWUEVKALBIBY-UHFFFAOYSA-N 415.519 0.358 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](OC)c2ccc(Cl)cc2)CC1 513102986 PKOKTSKIPKDFDM-QGZVFWFLSA-N 422.913 0.590 30 20 HCED N#C[C@H]1CN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)C[C@@]12C(=O)Nc1ccccc12 513656139 YFRMIVGXOOXOEO-WIUDPPPLSA-N 420.429 0.394 30 20 HCED C=C(C)CN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 520683346 USIXQGKTQJGPBI-UHFFFAOYSA-N 420.535 0.577 30 20 HCED N#Cc1cccc(OCc2ccoc2C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 523289155 BKSYAFZXLJMADC-UHFFFAOYSA-N 421.417 0.701 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 524180560 KIYHHXACYAQJOI-INIZCTEOSA-N 408.480 0.848 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C#N)cs2)c1=O 531370881 HBYVJDSKLMBSDU-UHFFFAOYSA-N 402.501 0.519 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(F)c1 537182365 JWVFZAMFSKBPHQ-ABAIWWIYSA-N 406.432 0.851 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 537447287 YJGGJQAFCBKVFM-UHFFFAOYSA-N 406.240 0.992 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CCO1 542897713 KPACQVJIQXKMLL-KRWDZBQOSA-N 423.429 0.966 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 548617813 RQWVKPAZLRYSGC-GFCCVEGCSA-N 417.874 0.157 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 551137495 YROFRFANYLFUKG-UHFFFAOYSA-N 424.461 0.338 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)CC2)n1 554828673 VJWKRKNKEPXVIE-FOIQADDNSA-N 415.519 0.773 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CCN1Cc1ccccc1 555762788 MJFICTBWUYNFFC-UXHICEINSA-N 414.506 0.925 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN([C@H]2C[C@@H]2C)C1 560151519 JOZWDGCJDJBSSV-BXWFABGCSA-N 421.505 1.325 30 20 HCED COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1OC 567675160 SJAZCYNGFDXKOA-UHFFFAOYSA-N 421.435 0.714 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 571953135 RJPDTXFQZFOTOK-RLLQIKCJSA-N 401.507 0.967 30 20 HCED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1 581519768 ONRNDGJPQPXHCC-LPHOPBHVSA-N 419.551 0.321 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(Cc3cscn3)CC2)n1 582033317 YKRVIHCIFSSEPE-UHFFFAOYSA-N 422.474 0.878 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 590176039 YXQQWMHFJKFJMY-UHFFFAOYSA-N 405.402 0.279 30 20 HCED Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c1C#N 591359408 QKSQVZAKQKMCQU-HNNXBMFYSA-N 401.448 0.908 30 20 HCED N#CC1(NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCCCC1 603661938 SODVTVPFBCOUMP-UHFFFAOYSA-N 405.524 0.799 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccncc2)c1=O 603795353 LTLZSEUAUOPDDN-UHFFFAOYSA-N 412.515 0.857 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 611089240 NWZAOQSZMAHKKO-KRWDZBQOSA-N 420.535 0.197 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)cc(S(C)(=O)=O)c1 612268433 OYCRKILDSDQOPN-GOSISDBHSA-N 407.448 0.967 30 20 HCED Cc1cc(NC(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)n(CCC#N)n1 615069936 TYSNUJDPAJTLSX-UHFFFAOYSA-N 410.500 0.412 30 20 HCED CC(=O)NCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726398334 BPPPQOHDTAOZAQ-HNNXBMFYSA-N 417.491 0.522 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O 729241920 JJSDSACBMAXXEC-HXUWFJFHSA-N 424.417 0.874 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 732560093 KBIQTRHEOPBRMV-CYBMUJFWSA-N 403.382 0.491 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C3CC3)c2=O)cn1 732563326 UVVIQXFTYCSUFH-LBPRGKRZSA-N 401.492 0.115 30 20 HCED CS(=O)(=O)N1CCN(C(=O)c2ccc(OS(=O)(=O)CCCC#N)cc2)CC1 734844845 BFCPEWGRVDSQAG-UHFFFAOYSA-N 415.493 0.416 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 741410644 JAKMFZBGVRPQQR-KCQYIYACSA-N 413.478 0.449 30 20 HCED N#Cc1ccc(OCCCN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 741792295 YTNAENZOSJPPPJ-SFHVURJKSA-N 420.535 0.248 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(OCC#N)cc1 742065024 YTQLSTQUESUSAE-ZDUSSCGKSA-N 405.480 0.923 30 20 HCED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746328770 ZTSSWPBJYMBYIN-HNENSFHCSA-N 420.491 0.648 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 746434262 HWKMFAZBOGUFMR-JSGCOSHPSA-N 406.443 0.486 30 20 HCED C[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)Nc1ccccc1C#N 746940744 BCNQAPSABKVIES-NSHDSACASA-N 407.386 0.688 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)c2cccnc2N2CCCCC2)CC1 749791437 JMBUYDHEJOSNSZ-HNNXBMFYSA-N 402.499 0.788 30 20 HCED Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 750407250 ICEFAJGTLFAQJD-ZDUSSCGKSA-N 419.463 0.757 30 20 HCED Cn1cc(C#N)c(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)n1 750612292 BIEUFWOORPBCRV-UHFFFAOYSA-N 419.247 0.338 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CC2)cc1 755075203 LJHXXPAQNCOKCN-HDHZYAPQSA-N 422.507 0.715 30 20 HCED CC#CCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 756143911 XJHBBXDPALKJMY-JMPLCFMRSA-N 412.533 0.910 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(Cl)c2)c1=O 758055580 RFSYLFFVDXUQNJ-UHFFFAOYSA-N 413.886 0.558 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758367125 XXUCRVXCNAENMV-CHWSQXEVSA-N 417.532 0.763 30 20 HCED COC(=O)c1cn([C@@H]2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 760531977 JULDTLNSZAGCAC-QRWLVFNGSA-N 423.433 0.608 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)s2)c1=O 763301875 PWIDSXDKGTWFNK-UHFFFAOYSA-N 419.528 0.752 30 20 HCED N#C[C@H](C(=O)CCCOc1ccc2c(c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 766364729 JJAIVLMCHQABBE-CQSZACIVSA-N 408.432 0.540 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cc[nH]n1 772147894 FQNJFZCWKUXCMX-UHFFFAOYSA-N 411.422 0.309 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C 785038508 BGWPLGHFJVXHDX-UHFFFAOYSA-N 411.480 0.804 30 20 HCED C[C@@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1cccc(C#N)c1 786359649 ZFNWKXCCCPTJMM-BBVCAZISSA-N 411.414 0.981 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 787756767 RCWOHTVXWZPZJU-QGZVFWFLSA-N 400.483 0.195 30 20 HCED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 793607541 RCDIAXWZPBDRIZ-UZLBHIALSA-N 409.450 0.955 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)[C@H]1CCCO1 797019562 ISFPDBVIHFYCHJ-LSDHHAIUSA-N 406.464 0.102 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CCCO1 803124272 AJAJMCBAPQIKBV-HZPDHXFCSA-N 421.519 0.677 30 20 HCED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 807404172 HCQMRMOVKBYBBD-UHFFFAOYSA-N 406.442 0.763 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)CC1(C)OCCO1 807421756 XSTMYRGUDSKYFT-OAHLLOKOSA-N 401.467 0.507 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2CC(=O)OC)ccc1F 808243336 GKZDKDZXYQMTFA-CYBMUJFWSA-N 400.428 0.694 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1 815861372 FKIJOALOMCBWQD-UHFFFAOYSA-N 411.462 0.977 30 20 HCED CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 914761785 CKGCPFCCFGYSPH-IYBDPMFKSA-N 424.523 0.779 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)c2)c1=O 916198267 IRZAOLKBDTYXEB-UHFFFAOYSA-N 401.488 0.592 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916892754 PEOUJZYEUYBZBO-KBPBESRZSA-N 412.468 0.164 30 20 HCED COCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NC3CCCC3)cc2S1(=O)=O 917430547 NSTLDXXTSPPGJL-OAHLLOKOSA-N 419.459 0.859 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)CN(C)C 1288825892 NIBTWKQCMPHGRM-GUYCJALGSA-N 415.539 0.918 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1318555306 PCDSWXPNEWSNQL-FBMGVBCBSA-N 407.448 0.363 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)c2C1 1356088686 SSYCUZAKKDMCDG-HZPDHXFCSA-N 403.483 0.835 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCO[C@H](c2ccnn2C)C1 1449710520 XVCBSXDPBKLELP-YEWWUXTCSA-N 417.491 0.995 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1505326302 XQXIOZUPSUWNKG-DOTOQJQBSA-N 416.507 0.817 30 20 HCED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1542018833 YKOOYUGUZMOXMA-GUYCJALGSA-N 412.491 0.853 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C(C)(C)CN1CCOCC1 1556992974 RUWHJQYJLVSQNU-HNNXBMFYSA-N 408.524 0.794 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 1611309049 WYCSOFLRJSXQDL-RBSFLKMASA-N 412.516 0.386 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1611687354 WKDCMGGRSOCVSF-RSMSRIMGSA-N 418.520 0.241 30 20 HCED Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1612600043 ZOLWRBFZTLAMLU-LJQANCHMSA-N 416.507 0.334 30 20 HCED COC(=O)[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1644887651 SZVCRHQMXOKKOE-ZDUSSCGKSA-N 410.308 0.870 30 20 HCED N#CCC1(CS(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1661446565 KXVDXZPOOUSQLH-UHFFFAOYSA-N 408.505 0.777 30 20 HCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1710907363 ZKWAIJAZZIEYTB-GMAKHKIPSA-N 416.573 0.787 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1723879597 LYTMHNCVOOHCDZ-IEBWSBKVSA-N 411.510 0.961 30 20 HCED CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1747032223 VDSMVEGEUDAIGL-IBGZPJMESA-N 419.507 0.872 30 20 HCED CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1764943678 RXLNREFGVZNSME-ZDUSSCGKSA-N 410.525 0.918 30 20 HCED 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Cc1nnc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)s1 1837952859 AJOASOIQAPZHBN-UHFFFAOYSA-N 420.491 0.476 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)CCC(N)=O)CC2)CC1 1838642466 PXMZVHUJBANHFM-UHFFFAOYSA-N 423.510 0.760 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n[nH]1 1838662902 NFKNAAWUKUVQDZ-OAQYLSRUSA-N 409.446 0.974 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824816 WLMURYBPZXGRQN-SFHVURJKSA-N 405.411 0.543 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncnc4)C3)C2)cc1 1839362221 FCIWNFWHIWVPOG-QFIPXVFZSA-N 421.457 0.926 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1839762335 HLGDDYVMANJPPT-CXAGYDPISA-N 400.497 0.104 30 20 HCED Cc1ccc([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839948561 ZXXBISRBWFXXSZ-HTAPYJJXSA-N 414.458 0.643 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)cc1 1840325562 FUKIWYYFAXKDJH-JOCHJYFZSA-N 423.473 0.984 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595294 VEVCAGBZKPCXLH-JXFKEZNVSA-N 411.499 0.549 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1844238942 GZEAGJIJYVVMSA-RDJZCZTQSA-N 414.506 0.976 30 20 HCED CC#C[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1)c1ccc(O)cc1 1845067209 TZGJZRUEOSRIDC-HOJAQTOUSA-N 411.502 0.815 30 20 HCED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1 1845485723 KKFHVDTZNOSNRD-UHFFFAOYSA-N 403.483 0.998 30 20 HCED COc1ccc(N/C(N)=N/CCC(=O)N2CCN(c3ncccn3)CC2)cc1OC 303979703 NKKHKKAQNOQGQW-UHFFFAOYSA-N 413.482 0.959 30 20 HCED COCCOc1ccccc1N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409491921 BVXAZTQEUUVOPC-MRXNPFEDSA-N 410.496 0.303 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc(C#N)cn2)c1 409727362 YJDFNNJXVCUQMJ-UHFFFAOYSA-N 415.475 1.292 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 410127711 OALJDAAAIBCZGV-LLVKDONJSA-N 420.479 0.611 30 20 HCED CCN(CCC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429587920 BEDFUOQWZPRLMS-AWEZNQCLSA-N 424.479 0.132 30 20 HCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1 430354303 PVDXAVBWNUNEIS-ZDUSSCGKSA-N 408.480 0.748 30 20 HCED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 435054673 FAJYWIVBRYZVON-QFBILLFUSA-N 400.479 0.637 30 20 HCED Cc1cc(NC(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)nn1CCC#N 437068891 LRSLVRZQQBDXLJ-MOPGFXCFSA-N 422.489 1.156 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 440272768 CQWTVBQNCOLKDP-UHFFFAOYSA-N 401.511 0.637 30 20 HCED C[S@@](=O)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 442922796 LWEVFCSWVJMZRW-AREMUKBSSA-N 409.533 0.986 30 20 HCED N#CCCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 446425098 PDWZNAFFTWSIIL-UHFFFAOYSA-N 400.439 0.689 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 446860850 IQKFGEMVBWHDLP-UHFFFAOYSA-N 401.467 0.783 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(OCC(N)=O)c2)c1 462595390 SPEZIOMTRLKVMV-UHFFFAOYSA-N 403.460 0.945 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC[C@H]1COc2ccccc2O1 464856049 ICFSMOXUZCBUSU-HOTGVXAUSA-N 408.462 0.815 30 20 HCED C=C[C@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 465115477 OQSBQNGIINTSPE-HNNXBMFYSA-N 411.462 0.745 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(F)c1 467148967 CNZZDQDCOLWQSG-UHFFFAOYSA-N 414.434 0.002 30 20 HCED C[C@H](CO)N1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 470933789 ULUGMNKHAGNLQH-CQSZACIVSA-N 414.441 0.737 30 20 HCED CCOC[C@H](O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471056474 OXCCXWXQIIXMJC-MRXNPFEDSA-N 402.451 0.722 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(C)C 474355074 PCHMYOCCEPBUCI-OAHLLOKOSA-N 414.531 0.923 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)nc1 475567008 VRAJAULGPIUHIU-UHFFFAOYSA-N 424.465 0.363 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 481076627 PBWHERTUGAARLX-CYBMUJFWSA-N 414.509 0.872 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481256995 WGTZEBQRUVHPSI-ZBFHGGJFSA-N 406.508 0.990 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2OCCOC)cc1 486734302 UJQJHPWNVNTSBV-IAGOWNOFSA-N 420.466 0.869 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 501561717 NXBMZJXDINPERU-AWEZNQCLSA-N 409.468 0.662 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 501992841 WXLYSGFBZAKZCB-MRXNPFEDSA-N 412.537 0.934 30 20 HCED CCc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 502043648 MEQDEBZNAHKOCF-UHFFFAOYSA-N 419.510 0.977 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)Oc1ccc(F)cc1 504845629 JTMOAPAZLAROAU-OAHLLOKOSA-N 417.397 0.920 30 20 HCED C=CCc1ccc(OCC(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)c(OC)c1 505956791 LVGGHZOINLIZEV-GOEBONIOSA-N 424.519 0.858 30 20 HCED C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 505983853 DXTIQFGHWTVFOB-XJKSGUPXSA-N 409.533 0.847 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 508125682 ANSCSMNAKROXFQ-GFCCVEGCSA-N 415.415 0.667 30 20 HCED CC(C)Cn1ccnc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 508731015 QBTXNLNMYBGTKS-SFHVURJKSA-N 422.489 0.944 30 20 HCED N#CC1(F)CCN(CC(=O)N2CCN(C(=O)CN3CCC(F)(C#N)CC3)CC2)CC1 510948451 PBHFWBMUMKMQEE-UHFFFAOYSA-N 422.480 0.313 30 20 HCED CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 515091545 KAICASRHKCLEAR-UFEGIJMPSA-N 408.528 0.451 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)CC2)nc1 518209953 HPPNKUNSHJGYOI-UHFFFAOYSA-N 402.418 0.821 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2 518801579 TXJHPSMNKTYJMY-KRWDZBQOSA-N 405.462 0.374 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2[C@@H](C(N)=O)c1ccc(C#N)cc1 522332303 JZPNUSRCBFAHML-MRXNPFEDSA-N 400.416 0.791 30 20 HCED CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 522798481 NJKXCICPEAEFDF-INIZCTEOSA-N 424.548 0.852 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 532691389 RMCHYPIMBCAWEB-OAHLLOKOSA-N 407.492 0.867 30 20 HCED COC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 532761604 FILFPKVXKBTYEN-SFHVURJKSA-N 408.480 0.198 30 20 HCED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 537009789 NOXJJWKVZFOMEE-NSHDSACASA-N 414.871 0.575 30 20 HCED C=CCN(C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)[C@H]1CCS(=O)(=O)C1 540538620 VMYOXRVXAWMAON-HNNXBMFYSA-N 406.464 0.945 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1=O 541825227 WLUMUDIQUVHGQG-LBPRGKRZSA-N 401.872 0.612 30 20 HCED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)ccc1C(F)(F)F 548830515 PUKGPHKLTZOIQC-LLVKDONJSA-N 412.367 0.449 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1 550365965 BZKRCZFYENQLEY-UHFFFAOYSA-N 409.446 0.935 30 20 HCED CCCCN1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 552851928 YDWQVKMPUGGIFO-UHFFFAOYSA-N 415.542 0.630 30 20 HCED Cn1cc(CCCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 552984090 PCFMILTZNRNVAO-GOSISDBHSA-N 408.462 0.652 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)c2ccc(C#N)o2)c1 553767586 ILKLEEWAGIEZDN-UHFFFAOYSA-N 404.408 0.965 30 20 HCED COc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)NC(C)(C)C 557111448 HNKBNXXQSXDLCD-UHFFFAOYSA-N 406.468 0.665 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c2ccccc2O1 562151708 SVRPTHAVQMAPBB-GOSISDBHSA-N 408.414 0.723 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 563676961 XGLIZJDOGNMNFQ-ZDUSSCGKSA-N 400.526 0.679 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccnn3CC)C2=O)CC1 567457841 ABCTZUIPRCTSHA-MRXNPFEDSA-N 402.499 0.281 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 569380053 BLMMGYXXOKLKSS-UHFFFAOYSA-N 406.443 1.429 30 20 HCED Cc1ccc(NC(=O)Cn2cc(C#N)ccc2=O)cc1S(=O)(=O)N1CCOCC1 578048280 ICAAPVLHQKQIII-UHFFFAOYSA-N 416.459 0.688 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CN(c3ccccc3)C2=O)n1 580502897 KTVGXKCGPMRNMU-OAHLLOKOSA-N 401.386 0.609 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 584077108 AEEHGKGEFWGZIT-IEBWSBKVSA-N 422.570 0.827 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c1 589158011 QZKBIKPLVMGNLA-UHFFFAOYSA-N 413.499 0.912 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccncc2)c1=O 603795579 ZPWPLBSISOYBQF-UHFFFAOYSA-N 411.531 0.382 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CCOC)cc1 606130642 LZSSSEHVCVXRLM-SFHVURJKSA-N 413.496 0.335 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 609449462 MFHWZUWGHNGOST-UHFFFAOYSA-N 408.436 0.748 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 611072585 MASSTVSSBNJWBE-OAHLLOKOSA-N 406.512 0.503 30 20 HCED COC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 612483467 LWRLNWVADLOWQS-QGZVFWFLSA-N 408.524 0.652 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)C1=O 726043074 JMGLUHJSTRVQID-LLVKDONJSA-N 408.411 0.053 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730685506 HLNYSMCOHVIXKS-SJORKVTESA-N 407.492 0.700 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nnc(S)n1C1CC1 731443009 RHKIYMFLVVKUSZ-UHFFFAOYSA-N 406.493 0.299 30 20 HCED Cc1cccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 732316196 VQWJNYMZQRHRIH-UHFFFAOYSA-N 401.444 0.893 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742245187 FSFIZRWFKOCGOV-GEQZRMBCSA-N 409.442 0.616 30 20 HCED C[C@H](CC(=O)O[C@H](C)C(=O)NC(=O)NC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 745497829 TVLZKHIKXZGCEB-GHMZBOCLSA-N 422.463 0.424 30 20 HCED CCc1nsc(N2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)n1 745813112 IMKVAGDHXRTEIM-FOCLMDBBSA-N 419.511 0.849 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 746493385 KZMLOQCMUYIFFC-UHFFFAOYSA-N 401.486 0.159 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3ccccc3CC)CC2)CC1 746494744 SQVWJVJPRFFHAF-UHFFFAOYSA-N 411.550 0.583 30 20 HCED CCN(CCC#N)C(=O)CNc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 755946367 IIGHAPQECNMYTE-UHFFFAOYSA-N 410.496 0.890 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(F)c(F)cc2F)c1=O 758075422 HYECEVZXNHURPT-UHFFFAOYSA-N 403.385 0.766 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 768393900 ZRVMMNHHMRAZKV-UHFFFAOYSA-N 402.458 0.928 30 20 HCED COc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 769638770 FMPCEZHFRCKIOZ-UHFFFAOYSA-N 417.443 0.705 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 770288001 CLKLSQFVCHOOEU-UHFFFAOYSA-N 409.240 0.865 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 776884150 AGTRYJJOLPHSLE-UHFFFAOYSA-N 416.297 0.939 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NCC(=O)N3CCCC3)CC2)o1 796293861 SVIRELOFNFPOIV-UHFFFAOYSA-N 403.439 0.353 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1 800078629 DMDXFTZYHDXSSH-ZDUSSCGKSA-N 417.509 0.200 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)[C@@H]1CCCO1 803216845 TXKLGQWNVAXWGL-QUCCMNQESA-N 415.490 0.311 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1)[C@H]1CCCO1 809305519 FCOGMONDSVQVBE-VQTJNVASSA-N 415.490 0.515 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 813731099 QTHOFZPMTHBNHS-HNNXBMFYSA-N 409.468 0.425 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 813983883 GGYXKXCQNLDBSF-CYBMUJFWSA-N 410.452 0.784 30 20 HCED CCn1ncn(N=Cc2c(C)c(C=Nn3cnn(CC)c3=O)n3ccccc23)c1=O 814234294 JXSKVGYYMYHRMX-UHFFFAOYSA-N 407.438 0.768 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 814544844 ORTIUMPGDYGRRR-DVOMOZLQSA-N 412.464 0.513 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 815849248 JNDDOQDZKJXHSS-BPHPCYGNSA-N 408.480 0.685 30 20 HCED CC(C)[C@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 917420781 MPSFHVCNSLVPPY-IBGZPJMESA-N 419.507 0.789 30 20 HCED CCOc1ccc(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)nn1 1174800112 WWKZJVNDUMSQSG-SFHVURJKSA-N 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30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)o3)C2)C1 1829763026 YPFIKRGNVOOVKZ-IZRJCCQOSA-N 417.462 0.516 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829891176 YGTAANNJKSIHDU-PGRDOPGGSA-N 423.554 0.358 30 20 HCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831485791 KZPKUWKGHFNCLJ-AEFFLSMTSA-N 404.529 0.060 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831609760 QCSOHAQPVSJAHE-VFNWGFHPSA-N 414.462 0.140 30 20 HCED C[C@@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1)N1CCN(C)CC1 1831673726 WPAYVWQABSBIFQ-PKOBYXMFSA-N 418.538 0.330 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1832462247 GXCQQNCZNRUMAR-IBGZPJMESA-N 422.507 0.231 30 20 HCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)C#N)CC3)CC2)CCC1=O 1833146525 WWWLEBIXPJVJFA-UHFFFAOYSA-N 416.526 0.716 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)CC)CC2)CC1 1833465013 FWBOBAHGAKBQNL-IAGOWNOFSA-N 420.554 0.511 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1833477682 PPRUUPXGRGYBMS-MRXNPFEDSA-N 404.515 0.441 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833568893 SCCWFAOLIITEPR-SFHVURJKSA-N 407.402 0.156 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435391 QXIJTOGOYCZPMT-DKLCPLSMSA-N 418.475 0.925 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834589846 BCTBHFDXVCYEOP-YWZLYKJASA-N 420.466 0.658 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1834756062 LFOGKRNOHJISSO-GOSISDBHSA-N 410.377 0.667 30 20 HCED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1835086497 XYDZEMCROFIQBR-NRFANRHFSA-N 400.431 0.082 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835644093 SQNQCDYIASFNOD-KBXCAEBGSA-N 414.528 0.051 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835901035 BOYXZEFSFBGRHH-UGKGYDQZSA-N 414.506 0.555 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)o1 1836022020 SINWUBPKPOYXKO-QFIPXVFZSA-N 424.457 0.429 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836131431 ZDWGMKDNCRXVRB-KKSFZXQISA-N 419.478 0.678 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nc[nH]c4c3)CCO2)C1 1836934183 IDUAXDIZLCMFHR-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1837390922 GGFDGVGTIJIJPS-PGRDOPGGSA-N 423.554 0.358 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1837446369 KJMVSRFTPAEGSW-QMPWQUHFSA-N 408.499 0.094 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cncc(F)c3)CC2)CC1 1837526061 RGXNHRYCQIHVCP-UHFFFAOYSA-N 403.410 0.921 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1837532801 HCBUQFDPOIDJOR-GSZSCORPSA-N 421.494 0.772 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(F)n4)CCO3)C2)CCC1 1837911496 LUHJCFVJVNXMBD-HXUWFJFHSA-N 402.426 0.985 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccc3F)CCO2)C1 1838244820 UHTLRLWXLBPABU-MGPUTAFESA-N 405.426 0.329 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)=O)C3)C2)c(C#N)c1 1839132015 NHJZWNMOXLRKNP-NRFANRHFSA-N 415.446 0.155 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1839223609 ASWXNOXWPVPRIY-YWZLYKJASA-N 420.466 0.658 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423506 GKTXDJZUVWZQNF-VLIAUNLRSA-N 420.897 0.876 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc5ccnn45)CCO3)C2)CC1 1839497798 JEUJGEMGUJQANX-OAQYLSRUSA-N 409.446 0.708 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1839839890 PJJJUASITOZFFR-VFNWGFHPSA-N 416.478 0.463 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839841449 RRSQOENZSAQLPO-YJYMSZOUSA-N 406.439 0.170 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839879310 REGGEWTUDXVNQX-CDXJDZJCSA-N 407.511 0.736 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840158908 SHVJWLZQHPSYNC-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1840164643 DODNLTPTUZMXON-NPPFBWRTSA-N 420.506 0.836 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1840291802 GPBZQDRLXIDWFI-JOCHJYFZSA-N 421.538 0.799 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1840513022 HIJSGGUUTGYOQY-LAUBAEHRSA-N 404.463 0.707 30 20 HCED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)cc1 1842874827 WBPITGRSPVRXLE-UHFFFAOYSA-N 406.379 0.294 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1)[C@H]1SC(=N)NC1=O 1842919876 LDXPOWXCJIJLJY-QWHCGFSZSA-N 420.539 0.274 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1843903951 BAJKOQYLNSMTDA-CQSZACIVSA-N 405.451 0.535 30 20 HCED COc1ccc(-c2cc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)n[nH]2)cc1 1846195357 GMGBYOKACZEROS-UHFFFAOYSA-N 408.414 0.990 30 20 HCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)C1CC1 1847623616 LEMZQNVHWQOUOT-PMPSAXMXSA-N 419.478 0.970 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)COc2ccccc2C#N)c(=O)[nH]c1=O 4959117 KDJRIZDZVOIVKG-UHFFFAOYSA-N 415.450 0.849 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1 17799008 FOCNHXWRLHXDOX-UHFFFAOYSA-N 408.524 0.433 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 24677532 CATZQHGYIXWSBR-HNNXBMFYSA-N 415.537 0.695 30 20 HCED C[C@@H](Cn1ccnc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 47027433 IREBMJRCBIORKO-HNNXBMFYSA-N 402.480 0.859 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C(=O)NCC4CC4)C3)CC2)o1 52932082 QPVZRGWZBGEQMD-QGZVFWFLSA-N 414.510 0.742 30 20 HCED COc1ccc(N2CCN(CCC/N=C(/N)NCCCN3CCOCC3)CC2)cc1 303790329 WBQAEEUOFBTUTO-UHFFFAOYSA-N 418.586 0.834 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)CCO1 409498804 FWDKYTBPNKCVNA-KBPBESRZSA-N 418.397 0.647 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)NCc1ccc(C#N)cc1 433063082 WPUORUUMUPNNCJ-UHFFFAOYSA-N 402.476 0.833 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(-c2cnn(C)c2)nn1 433664182 MYLCMHQNFWETRN-ZDUSSCGKSA-N 404.438 1.281 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc1 439597891 RPVQUNJQPLQFQB-UHFFFAOYSA-N 419.507 0.898 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)OCC)cc2)C1=O 440251927 CYFPNUZZPNVAFH-INIZCTEOSA-N 403.435 0.812 30 20 HCED C=CCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)[C@H]1CCS(=O)(=O)C1 440296587 OYEKGXXJICDJSW-ZWKOTPCHSA-N 406.504 0.788 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)cn1 460617380 ZHYJOBJCAVIKQB-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 461374142 QHPHIFZSFZESKE-HZPDHXFCSA-N 410.565 0.966 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462081002 PNYGGPVATDFFBL-UHFFFAOYSA-N 410.438 0.340 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CCS(N)(=O)=O)CC1 467304284 KSWYIDJNKBDXCQ-UHFFFAOYSA-N 410.496 0.159 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3nc[nH]n3)nnc12 469052660 UMRMBAQSQVFSFB-UHFFFAOYSA-N 410.463 0.799 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)Cc1cccc(C#N)c1 476718546 PLELUMNZMGGMOT-ZDUSSCGKSA-N 400.460 0.983 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 501578560 HGLWJFFXRVIGQR-CYBMUJFWSA-N 422.536 0.758 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)CO1 501784780 MPTVHOJJHZPFGO-HZPDHXFCSA-N 406.508 0.500 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)CC1 504811317 UULZLJRIIZEUDA-FUHWJXTLSA-N 408.543 0.390 30 20 HCED Cc1cc(NC(=O)C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)nn1CCC#N 505082958 YXTVMUKFTYVJKE-UHFFFAOYSA-N 408.418 0.798 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)N1C[C@H](C)O[C@@H](C)C1 506907732 HTUGVPNXFLQCST-KBPBESRZSA-N 405.480 0.936 30 20 HCED C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)C[C@H](C)O1 508340515 LBIDGLRTSFQJMH-GJZGRUSLSA-N 411.466 0.514 30 20 HCED Cc1nccnc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 508351482 CNFUWFVRUOFSSM-HNNXBMFYSA-N 414.491 0.672 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](CNC(C)=O)C1 508460854 GBEKVMGRAGRIDO-HNNXBMFYSA-N 423.477 0.719 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1C#N 511696722 QYTHJCGGOMLAKB-ZDUSSCGKSA-N 408.480 0.682 30 20 HCED CC(C)(C)[C@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 514665508 GUKANKXOXABQOI-KRWDZBQOSA-N 408.524 0.388 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3c(O)nc4ccccc43)CC2)C1=O 517798775 NVXGXXCBXPROOB-UHFFFAOYSA-N 411.418 0.882 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)C1=O 523380598 KNHJWJNVCUBBTD-UHFFFAOYSA-N 413.434 0.544 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 537455334 VINJKNHWPBPLKF-UHFFFAOYSA-N 413.276 0.382 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(N(C)CCCO)CC1 541364208 OKRRMOUXVMTBBK-UHFFFAOYSA-N 418.494 0.827 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 543218424 RZKFZOHITDWRCY-CQSZACIVSA-N 424.479 0.062 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@@H](Cn4cccn4)C3)n2)c(F)c1 543929636 QYYXYGMCRUGBAH-OAHLLOKOSA-N 423.408 0.946 30 20 HCED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543940664 FDTHEJLCHMUPKT-UHFFFAOYSA-N 414.397 0.139 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567138759 WZXHNQOREQRRIG-WBVHZDCISA-N 411.462 0.297 30 20 HCED CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCC(=O)NCC#N 572867871 CBXAGVLXPLWMGQ-UHFFFAOYSA-N 422.511 0.688 30 20 HCED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 579339428 WNNXTRCYHWOCMH-UHFFFAOYSA-N 400.487 0.429 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 608911141 MNXMCAVTSXSUDR-UHFFFAOYSA-N 422.869 0.215 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)NC2CCN(CC#N)CC2)c1 609336348 GMBZSFCQUFJWGX-CYBMUJFWSA-N 422.511 0.209 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)CCO1 609944758 VFOZBDJNDVLWPT-SFHVURJKSA-N 411.462 0.663 30 20 HCED C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 610575357 YCAVNBKZSUIPJM-NSHDSACASA-N 408.459 0.761 30 20 HCED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccn1 610810136 YWDBFEMEQHCZAH-WBMJQRKESA-N 402.432 0.651 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)S(C)(=O)=O 611607257 ZAWWDESIFAFBKY-UHFFFAOYSA-N 407.427 0.761 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 617151614 KCKNVPHJLGHFEZ-UHFFFAOYSA-N 403.464 0.878 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccccc2NS(C)(=O)=O)C1=O 623222948 DPQKQRXZHSNQAX-NSHDSACASA-N 408.436 0.212 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)C1=O 672111718 OLRBEASTUVWSAM-PBHICJAKSA-N 414.462 0.162 30 20 HCED C#CCNC(=O)CNc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 727104995 YXQOFSJPKRJJSA-UHFFFAOYSA-N 408.524 0.715 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)ccc1OC(F)F 727162590 MJMSRZZWQKDICS-UHFFFAOYSA-N 406.370 0.032 30 20 HCED C#CCN1CCC[C@H]1COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 729810130 UUJUZZFPZAYKGG-INIZCTEOSA-N 405.476 0.062 30 20 HCED CC(C)(C)S(=O)(=O)CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733181895 TWNMVRIAJOGHKQ-UHFFFAOYSA-N 415.537 0.835 30 20 HCED N#Cc1ccc([C@@H](OC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C(N)=O)cc1 734567705 NDVOJYLBAYXQOD-HXUWFJFHSA-N 418.409 0.700 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc(C)cc2C(=O)OCC)CC1 736618492 DMVNZFJCVOAKPH-UHFFFAOYSA-N 406.508 0.539 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744022945 BNOUPYJQSMCIRT-GXTWGEPZSA-N 406.464 0.365 30 20 HCED C=CCn1c(S)nc2cc(C(=O)Nc3nc(S(C)(=O)=O)n[nH]3)ccc2c1=O 747344776 XUBPSPQCGCWCJR-UHFFFAOYSA-N 406.449 0.645 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)ccc1F 748722244 QEXZEAFPXKXUSJ-AWEZNQCLSA-N 410.471 0.920 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cn1C 750618094 CMLWGFKTNOGEQR-LLVKDONJSA-N 405.436 0.449 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 755319039 HJFFRWZOCJPLTP-OAHLLOKOSA-N 409.483 0.129 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 758321209 PYIKCJWCZIBPKG-JSGCOSHPSA-N 415.516 0.469 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cn(C)c(=O)n(C)c1=O 759244246 YOWQILOOVYFHPQ-LLVKDONJSA-N 400.391 0.411 30 20 HCED C[C@H](O)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 762583603 RLYSVIKKVJYVCW-BPHPCYGNSA-N 410.496 0.667 30 20 HCED N#Cc1ccc(NCCNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)nc1 764816273 UZGTWRJGKAOEOH-UHFFFAOYSA-N 408.466 0.400 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 775165870 JKVFNLSYCRHKQK-OAHLLOKOSA-N 410.434 0.961 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)CC1 777991362 HOJAFMUZGCLRMT-UHFFFAOYSA-N 420.413 0.078 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CC(=O)N(C2CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 780811978 GSDGPGJAISHSKJ-OLZOCXBDSA-N 404.492 0.631 30 20 HCED COC(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782903988 AOFGCMXEOZRPCI-UHFFFAOYSA-N 403.439 0.878 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 783012806 XTHNYOIKPGKCNB-KGLIPLIRSA-N 405.517 0.911 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786203424 XEIOTNXRYQNELI-NSHDSACASA-N 401.441 0.013 30 20 HCED C#CCC[C@H](O)CNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 799078656 DMDXUBPGRXHXEI-KRWDZBQOSA-N 418.519 0.960 30 20 HCED COc1cc(N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc(OC)c1OC 805823881 MHXJMQPRQPULHH-UHFFFAOYSA-N 415.454 0.707 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 808329957 GYPLUSQLDHLKPM-PXAZEXFGSA-N 409.468 0.693 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c1 813980832 MZNVPLNDSVTLRK-YDHLFZDLSA-N 409.493 0.484 30 20 HCED CNC(=O)CNC(=S)NN=C(C)c1cc(Br)ccc1OCC(=O)O 814844622 MSKJOXBWJBENRY-UHFFFAOYSA-N 417.285 0.847 30 20 HCED CN1CC(=O)N(c2cccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)c2)C1=O 918263627 HZUIFOPGCCGQRG-UHFFFAOYSA-N 421.417 0.518 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCO)c1 918278191 SLFBZPNGCLVXHD-LTGZKZEYSA-N 410.496 0.717 30 20 HCED O=C(N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1077433146 QEGAKQPFHUMQMN-ORFRNNEJSA-N 404.894 0.904 30 20 HCED Cn1ncc2cc(S(=O)(=O)NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cnc21 1116688850 ZRMPUVMHOMYNCF-CQSZACIVSA-N 424.442 0.698 30 20 HCED CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1117689009 JRAANCURFMQTBO-UONOGXRCSA-N 416.511 0.577 30 20 HCED Cc1nc(N2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 1144464228 LGTPOFFTYWIAOO-LBPRGKRZSA-N 417.495 0.279 30 20 HCED C=CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)OCC 1254737519 VZOHXHIIPMVFIL-MRXNPFEDSA-N 411.480 0.890 30 20 HCED O=C1CCCN1C[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1301093791 QMZHJKRECKQMAC-AWEZNQCLSA-N 404.492 0.586 30 20 HCED N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1303001413 YLODOUMMYGKVAD-LJQANCHMSA-N 416.507 0.553 30 20 HCED COC(=O)c1ccccc1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1306900317 VIZHQOZNSZVEKT-UHFFFAOYSA-N 401.444 0.982 30 20 HCED CN(CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)S(=O)(=O)c1ccccc1 1352235035 XPAONIRSUHRXQM-UHFFFAOYSA-N 404.452 0.377 30 20 HCED CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503369111 SZARSKZIDZGHAA-SFHVURJKSA-N 408.510 0.919 30 20 HCED Cc1cccc([C@H]2C(=O)NCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1557638791 MDIZJLQQOSUXDQ-IBGZPJMESA-N 412.471 0.845 30 20 HCED C[C@@H]1C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1C(=O)OC(C)(C)C 1641034127 QXCMRICSUCCPFC-CHWSQXEVSA-N 405.455 0.972 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1750379276 SHNPSMOVTFMNIC-BONVTDFDSA-N 420.417 0.003 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)C1CC1 1751213457 JHYSCZDANUDRKL-KNXALSJPSA-N 400.480 0.491 30 20 HCED Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1762370601 OGXMECCPNDPHAG-DYVFJYSZSA-N 422.490 0.671 30 20 HCED C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(F)(F)F 1779015562 ZLERWVMTICNEON-DRYMOHHNSA-N 420.432 0.601 30 20 HCED Cc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779016403 UBWXWTVRBLLPST-VMHRPQTGSA-N 400.483 0.700 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1779990899 MAEAHUSDPLRCDU-QFIPXVFZSA-N 423.425 0.330 30 20 HCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2C[C@H](O)CN2)C3)cc1 1780413366 GGPTUXGTEGEUFC-PSHVLCQKSA-N 412.490 0.409 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2C[C@@H](O)C2)CCO3)c(C#N)c1 1781172869 YRHPTZHKCUMBNR-CECAUBDESA-N 413.474 0.710 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1)C(F)(F)F 1783634089 PUSLDXYKWYMWNV-XUXIUFHCSA-N 403.401 0.611 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)nc(O)c3)C[C@@H]21 1784483043 YUDUPKYKOXUVOQ-LAQRGFTBSA-N 401.463 0.727 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784817629 DTJLECHFJRLPLY-VGWMRTNUSA-N 406.483 0.889 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788448858 UROLHMCMTNGJKT-DKIMLUQUSA-N 411.462 0.361 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21 1788570785 RHHIAYQFXVCZFF-GCDKYVQMSA-N 406.479 0.866 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791557997 FEVYBSCOMONNCF-QPSCCSFWSA-N 424.527 0.677 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)n4cnnn4)[C@H]3C2)c1 1791687896 UWYLMCAEWNDXIH-XIVBQZFQSA-N 423.477 0.708 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)cc1)C2 1792485121 CVDYTBBITLLNRR-TXFQXBMRSA-N 415.465 0.816 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1792485919 VRMIMAOBWTUQPC-WPXDNGDRSA-N 407.470 0.486 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(Cl)o1)C2 1792489072 CXRWMADHOKGIMT-LXLDKNIXSA-N 407.854 0.995 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3nccc13)C2 1792491101 ZRDLBIGQQGGOLE-PFIYSYJPSA-N 423.473 0.396 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1N(C)C)C2 1793340857 POYQNLXGEOQKAJ-GGXPGOJBSA-N 400.479 0.389 30 20 HCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1)N1C[C@H]2C[C@H]2C1 1795276334 SPYQQBILZWSNQU-LYAMXQPKSA-N 407.514 0.968 30 20 HCED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1795981303 BBQUTONUBQBWEX-CCWDJLKJSA-N 410.434 0.267 30 20 HCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CCC#N)C4)cnc2c1 1797066977 YUKGTRXXBSFAKZ-CCWDJLKJSA-N 409.446 0.510 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cscn1)C2 1797811643 QXZUJUZAJLVXTE-MJBGRZLQSA-N 408.480 0.875 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798469096 DBKRTUJONGLZSB-AYDFFVQHSA-N 401.419 0.052 30 20 HCED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798693487 FVRUDLORFLKKBK-JLVBRIDZSA-N 412.450 0.246 30 20 HCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](O)C(C)C)C3)c(C#N)c1 1799237835 LWLSILZJQPXJGH-HRQSHJORSA-N 415.490 0.716 30 20 HCED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1800511608 YXAFBJXDJBOHBM-NTGVRKBTSA-N 405.476 0.213 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC(=O)C(F)(F)F)C2 1800546947 KJOQIQYFOCGKSU-PEGIJTEDSA-N 414.327 0.893 30 20 HCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S 1802107077 YABFLSNNBXQTSC-FVCICTRLSA-N 409.533 0.240 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803543953 GBIQLELALPGXLW-BSWAZPDLSA-N 400.435 0.234 30 20 HCED COc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)ccn1 1810842014 SSJZMGRZOQRXGX-OXJNMPFZSA-N 408.414 0.893 30 20 HCED COc1nccnc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812875020 QDIHSKSXGJPZPC-RDTXWAMCSA-N 409.402 0.288 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814567199 NWPCTRQSYOLSIO-BBRMVZONSA-N 422.551 0.960 30 20 HCED Cn1ncnc1C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814973456 ZMBQXVTYYKAARE-NSHDSACASA-N 416.511 0.779 30 20 HCED CCOc1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)nn1 1821761624 QHTKEHAYBPDHJE-SNVBAGLBSA-N 415.431 0.646 30 20 HCED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822618226 YACKFAJIXOJSSE-NHCYSSNCSA-N 400.451 0.989 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)C1 1829673045 DTCLCPFLHFDORB-OAQYLSRUSA-N 405.495 0.422 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1829773876 YAIIACDXBIBGIP-PHWHVTFISA-N 409.458 0.193 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1831427686 XTLKMCWHYJFEMS-JXFKEZNVSA-N 404.467 0.446 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1831485107 NODDBHCXMGEHHM-QAPCUYQASA-N 412.512 0.150 30 20 HCED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn1 1831485346 BOYPTQNIKFVGMH-VQIMIIECSA-N 424.523 0.510 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1832064924 JSWGVGUYSOXSHS-PXNSSMCTSA-N 401.467 0.051 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(C)no1)CCO2 1832564184 RIRZVWFVNBVLKM-NRFANRHFSA-N 421.494 0.965 30 20 HCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nc1 1833644233 JTHZOCWSXSDAMI-QFIPXVFZSA-N 412.490 0.631 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(F)cn4)CCO3)C2)c1 1834479467 VAEBMOKFXDAGNA-HXUWFJFHSA-N 413.409 0.804 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1835096779 LFZKVGVTOFXPMX-QHCPKHFHSA-N 421.453 0.909 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249767 CABWKSMAMREESR-LJQANCHMSA-N 414.524 0.256 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347852 HRXWJBGAJBDHRM-OXJNMPFZSA-N 401.467 0.279 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1835354414 TUJWPEMVXIHHFZ-SFHVURJKSA-N 408.842 0.814 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835413827 NTUNPIJSSRSWRZ-NRFANRHFSA-N 405.495 0.259 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CC[C@@H](C)O3)CCO2)C1 1836600997 CFERLABUMPIBOJ-NNFUDEMPSA-N 400.541 0.965 30 20 HCED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837070681 OSKCSCRBPPFFAH-UHFFFAOYSA-N 408.528 0.591 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1837441296 ZOQOEZJQESEMQH-DZSVRRGNSA-N 404.467 0.821 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)O1 1837443320 FDNQSVNQDCBBND-VNPSNVHJSA-N 422.526 0.482 30 20 HCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837476776 DEGXYOSPTIWWJQ-HRAATJIYSA-N 413.478 0.147 30 20 HCED CCOCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526167 BUSGYNBBQGLLHS-VYUJJKDHSA-N 413.471 0.008 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837567938 ZBOABGDOMVWLPO-WIFRZSDBSA-N 419.478 0.582 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)nn1C)CCO2 1838046696 MQAVFDFMDBYHPW-OAQYLSRUSA-N 402.495 0.856 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838047920 CYFNPNTWZHRULF-FQEVSTJZSA-N 410.434 0.455 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)nn1C(F)F 1838705278 QLAGMNNELIIUDR-GOSISDBHSA-N 411.409 0.960 30 20 HCED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951119 ZBJGORXVAZSPIB-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)ccc1-n1ccnn1)CCO2 1839479629 UTXUIXCCURWZSX-NRFANRHFSA-N 409.446 0.279 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1)C(F)(F)F 1839648644 XRAZYOVLFQCPTL-UEICXMAYSA-N 419.400 0.601 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(F)(F)CC3)C2)C1 1840040354 WNYMLLJWOOHOHB-GOSISDBHSA-N 414.405 0.356 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203897 ZAIDFAMQOQOTOV-GUYCJALGSA-N 421.416 0.334 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840368519 UOROREYGJPFKHE-DYESRHJHSA-N 421.494 0.555 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2)C(F)(F)F 1840421135 JJBSQCNBWMWBFV-CZUORRHYSA-N 417.388 0.414 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccccc4)C3)C2)CCC1 1840812716 GTNXXXHXKJDQAI-GCJKJVERSA-N 413.474 0.870 30 20 HCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)cc1 1841006217 DIHJFFOESUOXHX-FQEVSTJZSA-N 412.490 0.345 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1841598913 KOEBKDFGVNEHSD-INIZCTEOSA-N 423.469 0.914 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)C2CCN(Cc3ccccn3)CC2)C1 1842094936 JPXBJASBCUGCSZ-UHFFFAOYSA-N 410.474 0.585 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282621 KNBJXOUMYZYYEO-KRWDZBQOSA-N 416.547 0.915 30 20 HCED COc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 5366788 HOGXDLVFNCELFS-UHFFFAOYSA-N 417.443 0.705 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)c1 16559398 IZHOLCYSAOHUFV-GFCCVEGCSA-N 409.464 0.768 30 20 HCED C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 16711079 GOZZMGJPGKOSCH-DOMZBBRYSA-N 407.448 0.730 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCO1 409494474 OXCQEWBGUPBUJK-CMPLNLGQSA-N 402.835 0.643 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)CCO1 409591026 IDQYINNOXACTIV-SFHVURJKSA-N 406.508 0.623 30 20 HCED CCN1CCC[C@@H](CN(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1 410424685 HGDBFVFSTHPGQS-RYQLBKOJSA-N 410.544 0.594 30 20 HCED C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 429000782 AFEMQGJCHPESJS-PBHICJAKSA-N 404.492 0.878 30 20 HCED N#CCCCOc1cccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 439399187 SRPRRXGKURBSJA-UHFFFAOYSA-N 408.480 0.835 30 20 HCED CC#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 440741910 RAPRWBMJQQJKBI-UHFFFAOYSA-N 409.464 0.184 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](c2nccn2C)C1 460692083 PVSPOBGOIKSBIA-OAHLLOKOSA-N 404.434 1.136 30 20 HCED CCn1c(N2CCOCC2)nnc1S(=O)(=O)CC(=O)NCc1ccc(C#N)cc1 462976336 KRQXNEZXOJWZCW-UHFFFAOYSA-N 418.479 0.096 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 467055214 ADWRTODWEDKXIX-LLVKDONJSA-N 420.376 0.967 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN1CCOC(C)(C)C1 469100788 BBPRCJSZGCCNCN-HNNXBMFYSA-N 408.524 0.794 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1C(=O)Cc2ccccc21 481290171 JOPKHYAPHFZCOK-CQSZACIVSA-N 412.471 0.931 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 485740027 VJPQNIRFXMIWJY-FUHWJXTLSA-N 418.519 0.679 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)co1 486005851 QPAISJIQEAAGED-MRXNPFEDSA-N 416.459 0.932 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC)c2)CC1 498998023 CVMUTWXEILWVHC-UHFFFAOYSA-N 415.494 0.163 30 20 HCED CCOc1ccc(C[C@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C(=O)OC)cc1 506767179 KXFNEPFYLCPNCA-CQSZACIVSA-N 400.435 0.798 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CCN3CCCC3)CC2)cc1 514845094 IVWRAVKQRFNEFX-UHFFFAOYSA-N 405.524 0.077 30 20 HCED CN(C)CCNS(=O)(=O)c1ccc(NCCn2cnc(C#N)n2)c([N+](=O)[O-])c1 515418256 MDBGMUQZXQFNIW-UHFFFAOYSA-N 408.444 0.010 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cscn2)c1=O 522275553 MGZQSLQGTREMHQ-UHFFFAOYSA-N 422.532 0.059 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)C1=O 525080999 XJVCCAGRIHLHLW-UHFFFAOYSA-N 408.418 0.188 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2Cc2cccc(C)c2)CC1 535166368 JXCQNSKTWHPQPN-UHFFFAOYSA-N 424.505 0.625 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 540401897 CPNXRNWNXJTTMF-LPHOPBHVSA-N 421.567 0.938 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 540742856 NRZNHOXGNNPXOW-SFHVURJKSA-N 402.495 0.590 30 20 HCED C[C@@H](C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 543804647 UKHCXTGMAOCQBR-LBPRGKRZSA-N 407.452 0.193 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 546708813 JDHRNAFJZGKQJY-UHFFFAOYSA-N 402.432 0.512 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)nc1 551065336 CMPIZZAIYPMHPS-AWEZNQCLSA-N 415.431 0.219 30 20 HCED COc1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)sc1S(N)(=O)=O 552900768 KMYYFWUNFGITKB-LLVKDONJSA-N 408.461 0.964 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553162690 KMPPDZFYDMYLSH-CABCVRRESA-N 422.482 0.285 30 20 HCED COc1ccc([C@@H]2CCCN2C(=O)CN(CC#N)S(=O)(=O)N(C)C)c(OC)c1 554950167 WEGDUQPJDIECQD-INIZCTEOSA-N 410.496 0.999 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 559802747 BQBXOBWNYMXGTH-CQSZACIVSA-N 424.448 0.912 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 560647315 NWDXJGUNKFYJPM-WMLDXEAASA-N 411.462 0.297 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 572063839 ROUPOMNMILCKPG-UHFFFAOYSA-N 409.446 0.935 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 582455936 SGKICDNZUGQUNL-SFHVURJKSA-N 424.548 0.161 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587224671 XAWWMVHAZFJOSA-SFHVURJKSA-N 414.510 0.265 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1 588126992 XTNVUMRKCAWCBC-UHFFFAOYSA-N 403.458 0.383 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCn3ccnc3C2)CC1 589145793 XDWGFMDAPAUCON-CQSZACIVSA-N 409.450 0.400 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cccc(C#N)n3)CC2)cc1 589401326 FRGRXLAIVSHELJ-UHFFFAOYSA-N 413.503 0.998 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 589895644 PHIPAAKCZGKHGL-MDOVXXIYSA-N 412.450 0.836 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 603593933 XPSVNPSELKPBPK-ROUUACIJSA-N 419.503 0.569 30 20 HCED CCOC[C@H](C(=O)OC)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 610942457 UHMFBGPJQLZNEY-JKSUJKDBSA-N 416.434 0.800 30 20 HCED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 611224190 FRIXPTVPMKGBIV-AWEZNQCLSA-N 423.429 0.736 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 615628745 XNIZGCJLUMXTTR-BUXKBTBVSA-N 404.398 0.771 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@](F)(CO)C2)CC1 619816178 MVCLFCLYBAJKHJ-IBGZPJMESA-N 403.414 0.861 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 684789021 AFBPIKJBPZLFQT-YOEHRIQHSA-N 400.435 0.774 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)nc1 725821917 OCANPDOOMOKIFS-UHFFFAOYSA-N 421.504 0.784 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)NCCS(=O)(=O)N2CCSCC2)c1 730583986 SDZWSNCRMZXQSN-UHFFFAOYSA-N 410.521 0.284 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 731890161 SBZVCHAXMXSJLH-FBMGVBCBSA-N 422.438 0.546 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 732439447 KWIREQAVLKKVGF-FTHOYRMOSA-N 413.478 0.713 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 746552261 DKKSQPIPLHCBKN-SFHVURJKSA-N 405.414 0.838 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)c1 747146667 RLVMPCZOZBZBRV-QXAKKESOSA-N 405.520 0.922 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)CC1 748817609 PBXDQDZJOBCRHK-HXUWFJFHSA-N 412.534 0.684 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1 750416034 XUJXYNSKPDTHPK-UHFFFAOYSA-N 423.472 1.000 30 20 HCED C[C@@H](CCCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 756325123 CJMNHROILWQINZ-JPDJOPTESA-N 410.496 0.715 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)COCC(=O)NCc2cccnc2)C1 756885018 KLHWAUMKEDZAIB-CVEARBPZSA-N 417.466 0.590 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(F)c2)c1=O 758056745 ZUVBVHHVNXAQPH-UHFFFAOYSA-N 413.499 0.761 30 20 HCED C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccnn2CC)c1=O 758066374 HQUBALCKFHKFBS-UHFFFAOYSA-N 417.494 0.925 30 20 HCED C#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C#C)cn3)[C@@H](C(=O)N(C)C)C2)nc1 771558700 GFJWWPSWGOAJTR-HXUWFJFHSA-N 415.453 0.494 30 20 HCED Cc1ccc(-c2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cs2)cc1 771890308 OXVOJNRSSTUTNB-UHFFFAOYSA-N 419.488 0.828 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1CCCO1 773794973 JYFTXRVQGRJOFG-GDBMZVCRSA-N 409.439 0.601 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(OC)cc3)cc2O)CC1 779482466 GDICHDMLWYCFNY-UHFFFAOYSA-N 411.462 0.484 30 20 HCED C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783984572 MKMRSRCUAQXLLH-QGZVFWFLSA-N 404.448 0.420 30 20 HCED C#CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 784593624 IUCPOSGQTGNZRG-UHFFFAOYSA-N 410.492 0.871 30 20 HCED CCOc1ccc(C(=O)NCC(=O)NS(=O)(=O)CC2(C#N)CC2)cc1OCC 793205554 XJYIUOFVBWFAIG-UHFFFAOYSA-N 409.464 0.964 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 804898278 ILHLSFNSSPPAEP-QGZVFWFLSA-N 424.542 0.895 30 20 HCED COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 805501933 UTOJGLVVXGLVBO-RYUDHWBXSA-N 410.448 0.925 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCc2nc(C)c(C)s2)n1 807335027 ALHWPFWISNRAAH-UHFFFAOYSA-N 403.508 0.924 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 807357026 JKUYAFUMVXAGNM-IZDJOXEWSA-N 413.434 0.895 30 20 HCED C#CCONC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 812783549 UREHXTHLPCANEM-CTXBLAANSA-N 400.478 0.061 30 20 HCED CS(=O)(=O)CC1(CC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)CC1 816129671 HQCXNFMEXFBBIO-UHFFFAOYSA-N 401.422 0.486 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@@H]2CCCO2)CC1 913404014 GLICOROACPNAGQ-INIZCTEOSA-N 420.535 0.829 30 20 HCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 916873268 RDEYMIMOOQNWSD-CQSZACIVSA-N 407.448 0.471 30 20 HCED C#Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)c1 917314026 FCXLWKAZNVZULK-CRAIPNDOSA-N 405.520 0.962 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCC[C@H]1O 1136149795 ZCECBJPLBUGZPV-QZTJIDSGSA-N 406.508 0.236 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@](O)(CC#N)C2)c1 1163162346 GGOCBXNFNRITLU-IBGZPJMESA-N 422.507 0.324 30 20 HCED N#C[C@@]1(F)CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1251731798 NQHIFRXDRYCWPC-KRWDZBQOSA-N 410.427 0.478 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1298093275 NMSLORJVOOFUNZ-GDBMZVCRSA-N 402.451 0.913 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1303436202 RCCKFBLSMLUOBP-UHFFFAOYSA-N 419.511 0.327 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1314872450 ZCLIGDOXWOIOCE-IBGZPJMESA-N 418.523 0.963 30 20 HCED CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1519505653 ZQJOIBXYOYCEJE-KRWDZBQOSA-N 424.502 0.923 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1545928742 ISJRBVQDVRCJDQ-RDJZCZTQSA-N 419.530 0.646 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C3CCOCC3)CC2)cc1 1629014931 MHBNCRIOMJPUBE-UHFFFAOYSA-N 406.508 0.596 30 20 HCED Cc1ccc(N(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)[C@@H]2C=CS(=O)(=O)C2)cc1C 1641220420 VYPWFAULZMBLFW-MRXNPFEDSA-N 414.443 0.369 30 20 HCED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1696589116 QOOJKJHTKZLNQP-CVEARBPZSA-N 409.450 0.840 30 20 HCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1696632395 LBMIRJGDIZFJJB-ZDUSSCGKSA-N 409.516 0.251 30 20 HCED CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1724042156 OZSOBQUODASKKL-UONOGXRCSA-N 410.500 0.140 30 20 HCED C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1741801251 ZGHUORIJZOQOOB-ZIAGYGMSSA-N 404.500 0.897 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H](C)N3CCOCC3)CC2)c1C#N 1751827721 JQSIYZDHOUSRHH-OAHLLOKOSA-N 413.530 0.547 30 20 HCED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1760622569 LCCSUYOYJYJGRA-GOEBONIOSA-N 402.503 0.132 30 20 HCED COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1770559566 SGWGURRAYKKSID-TZMCWYRMSA-N 421.483 0.069 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)C1 1771528626 RSNMLRMFCMDUOH-LJQANCHMSA-N 419.461 0.205 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)n3)C2)CC1 1778016590 NAMAXVMWEOMEQX-BFUOFWGJSA-N 401.423 0.319 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1779100055 RUZIOJLUUMZUFF-FGIMNINOSA-N 417.466 0.378 30 20 HCED COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102469 YRHZQUAAIODTSW-WPWRXMBVSA-N 411.455 0.299 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779134619 KXMGGLITRRLUAX-YUSOBQLHSA-N 414.418 0.241 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779964793 DHBURYMVCWWZKO-WHSLLNHNSA-N 418.494 0.883 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccnnc5)CCO4)C3)c2c1 1782194262 GAZHQCCTRHKCLF-NRFANRHFSA-N 417.429 0.982 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cn[nH]c5)CCO4)C3)c2c1 1782195528 DQBNQFURASPABV-FQEVSTJZSA-N 405.418 0.915 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OCC=C)C[C@@H]21 1783528563 XBAYWXNIXHFWID-OXLFWHROSA-N 405.495 0.416 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C(F)(F)F)ccn1)CCO2 1783566820 KJJHARCDGYECQK-QGZVFWFLSA-N 411.336 0.632 30 20 HCED COc1cccc(Cl)c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568175 PPOBRORJQQLQPD-LJQANCHMSA-N 406.822 0.880 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(Cl)ncn3)C[C@@H]21 1784485974 SORXJYPIOWMGNO-YXWQFLTLSA-N 406.870 0.762 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1 1785084184 PGDUIWAAIPADFK-YBOAYWMSSA-N 410.474 0.893 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785213970 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CC(C)(C#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832150321 WQZGUJUEZWWOQL-CVEARBPZSA-N 407.389 0.306 30 20 HCED C[C@@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(F)(F)F 1832151710 XSEOKACLURGTHM-IAGOWNOFSA-N 404.385 0.170 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1nc(C)cc1C)CCO2 1833035465 ITVVHPHZMVDFLT-HXUWFJFHSA-N 422.551 0.876 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CSc3nc[nH]n3)CC2)CC1 1833429489 SYWVQTCAZRENQG-UHFFFAOYSA-N 416.551 0.882 30 20 HCED C=C(C(=O)N1CCC(N2CCC(NC(=O)CC(=O)NC)CC2)CC1)C(F)(F)F 1833440373 WLICORBEOZSYEY-UHFFFAOYSA-N 404.433 0.813 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)CC1 1833468849 GYQDEXJWOIAKCY-CVEARBPZSA-N 406.527 0.121 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c(C5CC5)c4F)CCO3)C2)CC1 1833678632 JSVSWRBGOPSNLH-FQEVSTJZSA-N 417.441 0.800 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2 1834241853 MRLSSGBHKBBDFH-FQEVSTJZSA-N 406.483 0.473 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CN4CCOCC4)CC3)CC2)C1 1834618593 QZIHPALCHLIHCW-UHFFFAOYSA-N 404.555 0.856 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CN)CC2)CC1 1834656487 HRMRRHGXSWUONM-AWFCHZOYSA-N 405.543 0.011 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3nc4ccccn4n3)CC2)CC1 1834970376 VHYWXGJXVITZCA-UHFFFAOYSA-N 424.461 0.003 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)o1 1835098808 QOZCTEZPZUOLLR-QFIPXVFZSA-N 424.457 0.429 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nc(OC)ccc3[N+](=O)[O-])CC2)CC1 1835250377 MSUHGUSLFQPHSF-UHFFFAOYSA-N 415.450 0.817 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1835344370 ALLOWBFGOJUGPL-ZQUFOJLJSA-N 420.466 0.276 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1835672741 KVJBARSWIAQAAS-IBGZPJMESA-N 421.523 0.495 30 20 HCED CCNC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835707129 YEJSRURXSNFCFX-OAHLLOKOSA-N 420.558 0.815 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1cccc(Cl)c1)CCO2 1835727544 ASUMOGJEXABRDF-IEBWSBKVSA-N 406.870 0.710 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)O1 1836604691 RMUDKQATTVBRHA-LZJOCLMNSA-N 422.526 0.292 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836881691 KICZLBDOTYIQIO-QGZVFWFLSA-N 410.540 0.815 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1837289425 LEEWYOQXJZIVRM-UHFFFAOYSA-N 401.423 0.701 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837396508 IEPJSMYSQDEBOW-UTKZUKDTSA-N 421.469 0.864 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1837567641 QQHRYPCMMLLWLH-SFIWVIFNSA-N 405.451 0.191 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837703057 UEAXJJGYEFMVHJ-UTKZUKDTSA-N 405.495 0.327 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839059965 NGFBYFPPUYDNCS-UTKZUKDTSA-N 418.494 0.881 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1839174051 CCFZVUQMWDKAGH-OAQYLSRUSA-N 417.462 0.661 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1839175811 GZGPAEQRKGYBTI-HXUWFJFHSA-N 408.451 0.256 30 20 HCED CCn1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839223909 KCGYJEZTWGDUQH-OXJNMPFZSA-N 421.498 0.774 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1839229198 DCNNEDIIFZVNHF-RXVVDRJESA-N 424.542 0.730 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839625103 BQRWFEKDHWDPNO-XIKOKIGWSA-N 423.470 0.257 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839867044 RKHLLFLOXGSLTQ-DYESRHJHSA-N 405.495 0.347 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)C(F)(F)F 1839894620 IJCVUPLGELQJPN-SUMWQHHRSA-N 419.400 0.088 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840166362 FJEDCZODJRIIFL-IRXDYDNUSA-N 406.401 0.560 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1nc(C)cc1C)CCO2 1840348780 XBPSSIDMXYUSOE-NRFANRHFSA-N 402.495 0.760 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1nc(C)cc1C)CCO2 1840348782 XBPSSIDMXYUSOE-OAQYLSRUSA-N 402.495 0.760 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840454516 IKCCRYLLQKAFTM-YZVOILCLSA-N 409.508 0.624 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O 7394485 SHHCKSTZGCSDAB-UHFFFAOYSA-N 406.826 0.844 30 20 HCED O=S1(=O)CC[C@H](/N=C(\O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 14252096 NNNWOOWWXXIQNR-ZDUSSCGKSA-N 411.505 0.991 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)C1=O 53270731 FWOARMNTWZMMKZ-LLVKDONJSA-N 405.407 0.866 30 20 HCED CCc1nc(CN(C(C)=O)[C@H]2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)C2)no1 409481342 AXJFDWYGSBYTNI-ZFWWWQNUSA-N 412.516 0.781 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)CCO1 409512557 JJRKPBORRSCQDN-FZMZJTMJSA-N 418.397 0.647 30 20 HCED CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)N(CCC#N)CCOC)cc1 409571795 RSWILIMXFWGTPB-ZDUSSCGKSA-N 404.514 0.352 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 410137336 VUVCFKXYKCOJIT-UHFFFAOYSA-N 418.541 0.312 30 20 HCED Cc1cc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)no1 410220837 RKJISDAMZRDEPN-HNNXBMFYSA-N 417.491 0.866 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 428359693 AMTXYIPPXZUOBV-CYBMUJFWSA-N 402.498 0.014 30 20 HCED C[C@@](O)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 431671276 SREWYTLIGHSQMS-IBGZPJMESA-N 407.492 0.569 30 20 HCED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 438876475 MLLLZZZEASACFL-LLVKDONJSA-N 414.871 0.718 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 443517503 QBOKXFLSIIJVOZ-LBPRGKRZSA-N 403.420 0.754 30 20 HCED Cn1cc(-c2noc(-c3ccc(S(=O)(=O)CCCC#N)cc3)n2)c(=O)n(C)c1=O 445550449 CDYHTWYQCUULNT-UHFFFAOYSA-N 415.431 0.878 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 464301938 RHZFSHJJIDTKJA-BDJLRTHQSA-N 404.423 0.707 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(S(N)(=O)=O)c1 465268255 SEHJXQLFKSUUOD-LBPRGKRZSA-N 401.452 0.738 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 470993525 CRLTZMJZYBAHEC-CJNGLKHVSA-N 409.402 0.833 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C3CC3)c2=O)nc1 474345632 BYLKZOWGONCZGJ-MRXNPFEDSA-N 410.499 0.746 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 478426500 KHCYABKRYOEPSU-UHFFFAOYSA-N 404.492 0.099 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(OCC(N)=O)c1 482376767 AGDXRTZOUHICKI-ZDUSSCGKSA-N 416.459 0.406 30 20 HCED COC(=O)c1cn(C2CN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)C2)nn1 483616506 DYAULKCUADWKIE-NSHDSACASA-N 418.435 0.839 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cnnc3[C@H]2C)cc1 484448711 SPQFRAZPNSXWQS-CYBMUJFWSA-N 418.479 0.627 30 20 HCED COCCn1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488681911 VYZZZGDSLRPNLD-INIZCTEOSA-N 410.434 0.257 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 489053722 RPMCUVLBGWSQFE-LBPRGKRZSA-N 403.457 0.011 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)CC[C@@H]3C2)CC1 499254398 VCVBMJLVYCINDZ-OAHLLOKOSA-N 424.461 0.761 30 20 HCED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 499431330 NBEHHQZZHAUKLF-HOTGVXAUSA-N 401.463 0.731 30 20 HCED C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508868920 XWGJIRVGVCZBOU-AWEZNQCLSA-N 416.869 0.844 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 509722582 ACSHYBZQNWGMHY-MRXNPFEDSA-N 408.480 0.126 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O 524917252 PSOBWAUKGGNXKZ-UHFFFAOYSA-N 412.446 0.243 30 20 HCED CN(C)CCN(CCN(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 531122346 GBMQQEQCDRIJOS-SFHVURJKSA-N 414.510 0.715 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 532799899 IZJAWQKAUAQDJM-UHFFFAOYSA-N 422.869 0.215 30 20 HCED CN(C)C(=O)C(C)(C)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533522691 ODSMFYAFMZVPJT-UHFFFAOYSA-N 414.466 0.911 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 535896466 QACVPPGDIDYZSS-JTQLQIEISA-N 405.426 0.792 30 20 HCED C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541141009 RQIXTKDGWZXIBO-FZMZJTMJSA-N 403.826 0.944 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)C#N)CC2)cc1[N+](=O)[O-] 542874169 CLQDOJRMPXZICO-LBPRGKRZSA-N 411.440 0.779 30 20 HCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(=O)c1C#N 544694564 MRJCTRCCIWFUAM-UHFFFAOYSA-N 400.460 0.562 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)c1 547930088 VDRZWKIMPZRCJV-WIUDPPPLSA-N 407.267 0.527 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 553672075 JGLYGOKBJXHPND-UHFFFAOYSA-N 409.508 0.352 30 20 HCED CN1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 557270845 DNJMSHXMUACWND-HZPDHXFCSA-N 403.458 0.229 30 20 HCED CCOc1cc(C(=O)NCC(=O)NCC#N)ccc1OCC(=O)N1CCCCC1 557722924 WTJOVNYVPKTSBW-UHFFFAOYSA-N 402.451 0.846 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)c3nccs3)CC2)c1C#N 561804215 NKBAIDNWVNALDV-LBPRGKRZSA-N 401.496 0.625 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 573889714 LAERPNHSZBKIRB-UHFFFAOYSA-N 413.257 0.007 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)cn1C 588001683 LKVBLTPSVSBPKI-UHFFFAOYSA-N 405.440 0.602 30 20 HCED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@H](C)C#N 604543669 WBJVGIMTZFWXLT-PBHICJAKSA-N 422.507 0.490 30 20 HCED Cc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1S(=O)(=O)NCC#N 609413461 XFLMJQODRNIIEO-UHFFFAOYSA-N 404.452 0.334 30 20 HCED N#CCCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 611176324 ZNRGHQPBUPMMND-UHFFFAOYSA-N 423.477 0.986 30 20 HCED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617168465 KYGAPHBHWZMZLW-HNNXBMFYSA-N 416.459 0.946 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(CO)CO)nnc12 646468073 ZMBVCLCCKGCRAA-UHFFFAOYSA-N 417.491 0.429 30 20 HCED C=CCn1c(Cc2noc(-c3cc(=O)c(OC)co3)n2)nnc1N1CCOCC1 685260651 RVYUTCXXYODATQ-UHFFFAOYSA-N 400.395 0.903 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCC(=O)OC 726574288 CJVWXNVJZMDACN-CYBMUJFWSA-N 416.503 0.715 30 20 HCED C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1=O 732156144 KGCUPDYLKLZGNU-NIQRWSHPSA-N 411.418 0.096 30 20 HCED COC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742117275 BGFZYDBFECZKAT-OAHLLOKOSA-N 401.444 0.798 30 20 HCED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccco1 744010462 MJEYAVYTEVETGP-LBPRGKRZSA-N 404.448 0.529 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 746020183 KYGIUOGHPYTSQU-UFOSLELVSA-N 403.483 0.993 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1Cl 749327562 SEZRBVAEIXQAGU-UHFFFAOYSA-N 411.827 0.628 30 20 HCED Cn1nc(C(=O)N2CCN(CCOC(=O)c3cc(C#N)cs3)CC2)ccc1=O 752180713 QPUSLMZZCHTZPV-UHFFFAOYSA-N 401.448 0.328 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(F)cc(F)c2)c1=O 755627537 LOVVUJRZGDQUPO-UHFFFAOYSA-N 407.442 0.862 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2CC(F)(F)F)cc1 758387346 JDAPAWVHCRNIAI-UHFFFAOYSA-N 418.357 0.784 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 759056975 OFECQTHNBNEOCF-UHFFFAOYSA-N 411.455 0.705 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cnn(CC)c1 763461279 SRKHVNWACNHDNA-UHFFFAOYSA-N 410.503 0.483 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cccc(OCC(N)=O)c1 766324344 DTRNZCRECMKSLF-ZDUSSCGKSA-N 417.443 0.833 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc(C2CC2)n1C1CC1 768451531 YGMWOFRQBDXUIF-UHFFFAOYSA-N 400.464 0.845 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)[C@@H]1CCCO1 773784590 BQGGXLQNIMDTLP-CVEARBPZSA-N 422.459 0.502 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 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0.594 30 20 HCED COc1ccc(N2CCN(CCCNS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 800000805 QEJACRJFKQFAIT-IBGZPJMESA-N 423.539 0.266 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cn1 801553350 UHSCUFQREUSHAL-UHFFFAOYSA-N 408.462 0.653 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c(F)c1 802572847 JPIYSDSPJLOHOX-BYNSBNAKSA-N 420.368 0.836 30 20 HCED N#Cc1ccccc1/C=C\C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 806317232 CEIRRBOSOMHUBK-OOFWQKGWSA-N 417.487 0.446 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1 808449669 FLTNSYKNWZZZKO-NZSAHSFTSA-N 403.504 0.975 30 20 HCED COc1ccc(CNC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1C#N 809504360 JNGIMIHJPMPEEA-ZDUSSCGKSA-N 412.368 0.805 30 20 HCED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 811525655 WJNUXZKBEJOAQK-OAHLLOKOSA-N 419.381 0.791 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812251829 HCGOXCJLJIHTMI-LSDHHAIUSA-N 409.512 0.222 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1 839095106 DZIOZUQOSDKFHR-CQSZACIVSA-N 423.498 0.287 30 20 HCED C/N=C(/NCCNS(=O)(=O)c1cc(C)sc1C)NCCN1CCOCC1 849105447 MXCQSSFPETUURP-UHFFFAOYSA-N 403.574 0.140 30 20 HCED Cc1c(C#N)c(NC(=O)COC(=O)CN(C)S(C)(=O)=O)n(Cc2ccco2)c1C 914923452 JQMQFNUQZFPNPF-UHFFFAOYSA-N 422.463 0.991 30 20 HCED CC(=NN[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916238912 KGYPFQIAZKVHEK-OAHLLOKOSA-N 401.510 0.208 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OC(F)(F)O4)c2=O)cn1 920398729 JUJIDBMRRBIKLT-UHFFFAOYSA-N 413.365 0.981 30 20 HCED COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1301861638 XISIXJJNPYAKQW-SFHVURJKSA-N 424.509 0.675 30 20 HCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1304905332 XMZMSYLWBJNFOK-CYBMUJFWSA-N 417.495 0.033 30 20 HCED CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1306549132 LKSQQVPWGRCGAZ-KKUMJFAQSA-N 403.487 0.510 30 20 HCED Cc1nc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)ccc1C#N 1318536923 SRJRCGBDMGPJJR-UHFFFAOYSA-N 420.433 0.444 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)CC1CCOCC1 1321194962 TVCKKLKBQHPMPM-RHSMWYFYSA-N 409.508 0.766 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1321673537 XQWCFORCFMNQRO-INIZCTEOSA-N 418.519 0.536 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)o1 1322418834 UHVUFTCVEKUYBR-XOBRGWDASA-N 414.466 0.908 30 20 HCED Cc1cc(S(C)(=O)=O)cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1C 1343456782 VVJDNQKTLJMAIK-OAHLLOKOSA-N 412.489 0.286 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)C3CCOCC3)CC2=O)cc1 1449883223 ZSCSKNRJVAMDBT-OAHLLOKOSA-N 405.476 0.621 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(=O)nc1O 1464260762 WEIITRAXZJBVLB-UHFFFAOYSA-N 415.837 0.387 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)c(=O)nc1O 1615448300 RBOGKNGEJJTPQH-ZDUSSCGKSA-N 418.251 0.978 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2CC2)C1 1620171353 ZBLWRWVLIVCWEN-YOEHRIQHSA-N 412.491 0.853 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)cn1C 1673550418 ZMFXVAMSFZCKSD-UHFFFAOYSA-N 403.468 0.728 30 20 HCED CC1(C)COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1724031295 LZBHWZZOJOZDFN-UHFFFAOYSA-N 409.494 0.864 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4ncccc34)CCO2)C1 1778971933 RKKUDSBYTBCORU-DYESRHJHSA-N 413.478 0.746 30 20 HCED Cc1noc(N)c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105241 SDAJYBOFNJBXNR-NDXPISSFSA-N 421.454 0.538 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779222663 ZNAKNMIKLACWRP-IIBYNOLFSA-N 408.462 0.930 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1780739429 JNPPPNZVEHRKTM-GCKMJXCFSA-N 421.494 0.288 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCNC4=O)CCO2)C1 1783105083 IHUBIQBVYYFDAJ-JLTOFOAXSA-N 401.467 0.282 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CS(=O)(=O)N3CCCC3)CCO2)C1 1783111890 FLDIFCLHTAEHTG-QFBILLFUSA-N 413.540 0.454 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCC(N)=O)C3)C2)c(O)n1 1783149410 XAYCCYMZGRDQIG-OAQYLSRUSA-N 416.478 0.615 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2)C(F)(F)F 1783207549 MSUAPRXDGGWQJU-WBMJQRKESA-N 401.389 0.863 30 20 HCED CC#C[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1783567222 JNWIXEHHVBEBDL-JPYJTQIMSA-N 424.453 0.807 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783981698 ZXNOJBJUSRMVAA-INIZCTEOSA-N 413.356 0.008 30 20 HCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1cncn1 1784473648 SSFHDDIGBPSQPH-RSYVAIHRSA-N 400.439 0.381 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1785016118 KUQJGARCYLITFN-OBJOEFQTSA-N 409.468 0.830 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cncnc3)[C@H]2C1 1785392161 VPCMIQKJFLAQTP-UBDQQSCGSA-N 403.483 0.800 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)n1cncn1 1786859811 HZPAGHXJUPUGCE-QZWWFDLISA-N 417.514 0.101 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(Cl)n3)[C@H]2C1 1788875380 QJSSVRVREJHLSV-HOSILWTGSA-N 406.870 0.762 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789177550 NGWMQYRLNOFBAE-OTRWWLKZSA-N 415.446 0.442 30 20 HCED CN1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)C1 1789740839 PTSKAKKSWKICAO-FXDDEMFSSA-N 419.570 0.780 30 20 HCED CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1790561815 YGYWPLPGIMGTIM-IWNKRFAQSA-N 408.499 0.807 30 20 HCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2ccnn2)C3)cc1 1792423397 JYZVXKNSHPDIIG-RMFSNUHRSA-N 408.462 0.372 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C=O)s1)C2 1792488430 AQSJLDIVCRCIMB-KUIZXIRVSA-N 417.487 0.622 30 20 HCED 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N#Cc1cc(NC(=O)C(=O)NCCCCS(N)(=O)=O)ccc1OC(F)(F)F 479278687 UZIHBDIIBUEQQL-UHFFFAOYSA-N 408.358 0.580 30 20 HCED CCOC(=O)c1c(NC(=O)N2CC[C@@H](NC(=O)NC)C2)c(C#N)cn1CCOC 481450286 JGYPOQSZJFMRKL-CYBMUJFWSA-N 406.443 0.718 30 20 HCED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1=O 484422130 LFNQPSMCIZBANS-MRXNPFEDSA-N 406.446 0.976 30 20 HCED COc1ccc(CCNS(=O)(=O)c2ccc(C#N)c(F)c2)cc1S(N)(=O)=O 489666227 NKHVQZXSCHXRRX-UHFFFAOYSA-N 413.452 0.874 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 504756910 OSBJMTNBNZEOSM-MRXNPFEDSA-N 406.464 0.150 30 20 HCED C=CCN1CCC(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 518496385 YGGZZYQZPIHTTI-UHFFFAOYSA-N 411.484 0.811 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 534550123 OWKBECPPYMXCRG-UHFFFAOYSA-N 424.523 0.270 30 20 HCED COc1ccc(Cn2ncc(C)c2NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1OC 535169476 VDLXKWWDCIINNJ-OAHLLOKOSA-N 413.434 0.947 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 538254930 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HCED Cc1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1S(N)(=O)=O 578565614 DCCOMRVSWHPBMV-UHFFFAOYSA-N 422.488 0.109 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588124092 VKTCARLKDHZEEY-GOSISDBHSA-N 408.462 0.274 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 608911152 NBLYLMNQONJKDF-UHFFFAOYSA-N 418.906 0.468 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1C 609822690 UPANVIFHSXTONP-UHFFFAOYSA-N 407.879 0.374 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 610000376 DHLUANCTSHXCKL-OAHLLOKOSA-N 402.524 0.882 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)cn2)cc1 611462085 UOPYOSXDGPNYRG-UHFFFAOYSA-N 409.402 0.659 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 726770589 YTFUJZWLXJYWHU-UHFFFAOYSA-N 403.464 0.399 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)[C@@H](C#N)C(=O)N3CCCC3)cnc21 727233643 UFWAYYFDYMRPTG-SECBINFHSA-N 407.228 0.224 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 728570743 MAWJRMXNNFYGEM-SFHVURJKSA-N 411.506 0.697 30 20 HCED N#CCNC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 731241389 WLNKKXKFIOKAJD-CQSZACIVSA-N 410.408 0.321 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(N)=O)cc1 734563424 WDBPECAZHXRLEX-QGZVFWFLSA-N 412.427 0.757 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 743902346 ZOBSWUXZLUBGSI-UHFFFAOYSA-N 411.455 0.564 30 20 HCED O=C(CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)NC1CCCCC1 746216418 ZVHBEQLWURCBQW-QZQOTICOSA-N 417.510 0.496 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nn[nH]c2C1 747990373 WVLVYTAZLSSARN-AWEZNQCLSA-N 402.480 0.987 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C#N)c[nH]3)C2=O)cc1 748226181 JFGQLTCRFCJKHL-LJQANCHMSA-N 411.374 0.550 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C(=O)NCCCO)CC1 749671559 NWFWPGRDZWKRKA-UHFFFAOYSA-N 405.426 0.513 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C 753838963 DZFLULXSZGWYRW-UHFFFAOYSA-N 413.408 0.345 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2OC)c1=O 758054658 MMYKCBGIDBQNHC-UHFFFAOYSA-N 409.467 0.342 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CCOC 758560907 QSYSHMAZAHZEPD-UHFFFAOYSA-N 418.544 0.941 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CCO2)c1 762004016 AJTWSKCHJZHKNJ-QGZVFWFLSA-N 414.443 0.744 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 766413058 VFMUCQDYRHNBRF-AWEZNQCLSA-N 420.872 0.726 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 767465242 XCLFZJRRQXZLOH-UHFFFAOYSA-N 400.526 0.760 30 20 HCED CON=Cc1ccc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 770285074 OEJFYCGPPIJLII-UHFFFAOYSA-N 416.434 0.805 30 20 HCED COCCOc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(Cl)c1 770867362 ZYYYSMHFPXTHNS-AWEZNQCLSA-N 414.867 0.945 30 20 HCED C[C@H]1CN(C(=O)NCCNc2ccc(C#N)cn2)CCN1c1nccn2cnnc12 771206104 YBSQQOOKCUAHRS-AWEZNQCLSA-N 406.454 0.723 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)[C@@H]1CCCO1 773059350 WUTUSNVGLVNHKV-KBPBESRZSA-N 406.551 0.689 30 20 HCED C#C[C@@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCCO1 776263409 MTMKHCILZWTARZ-MSOLQXFVSA-N 421.519 0.744 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC[C@H]1O 778902278 KOWGPUYRDHLMNH-AWYIAAKZSA-N 422.507 0.667 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 781964455 IRVVTHFLXPQHBH-GOSISDBHSA-N 413.434 0.372 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(CN(C)C(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 783480457 QKZAEQVOEFMBBY-MRXNPFEDSA-N 421.475 0.472 30 20 HCED C#CCN(C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21)[C@H]1CCS(=O)(=O)C1 783481756 XRBGGBYJFZOQAC-HOTGVXAUSA-N 401.488 0.651 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[C@@H]2CCOC2)c1 785150414 CUZGSKSANRILAO-PFKVCDDJSA-N 422.507 0.981 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786357238 BRAGLATUVDPGPH-FKGLVLAHSA-N 403.416 0.654 30 20 HCED CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787759249 MRTWNWOXEGZUHB-OAHLLOKOSA-N 414.510 0.882 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)n1 789794102 XMEKLOURTGRCKD-UHFFFAOYSA-N 424.461 0.320 30 20 HCED CN(CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 793585368 BNKBAEXEZMVGCZ-YJBOKZPZSA-N 405.480 0.248 30 20 HCED C#CCC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 799080394 ICXJDOBJMPDWLA-INIZCTEOSA-N 422.503 0.749 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 799283213 ACNQQRQDOKVGEA-HNNXBMFYSA-N 409.508 0.853 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCC2(OCCO)CCOCC2)ccc1F 800666396 BDEJTWNDRLRMKS-UHFFFAOYSA-N 416.471 0.578 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)cn1 801287860 JOJANIFQTUHBLB-PSBWJHGTSA-N 409.446 0.154 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 803105125 IHUHFLRECRKBLO-KBPBESRZSA-N 415.516 0.038 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1F 804165189 QJHPRFZYGGOSEQ-WUKNDPDISA-N 410.427 0.931 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1C#N 807769441 UJGZRAPHRSQINB-OAHLLOKOSA-N 410.434 0.147 30 20 HCED COc1cccc(S(C)(=O)=O)c1NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807985840 OIPKWYCQVDHGDM-UHFFFAOYSA-N 409.468 0.008 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCCO1 808620304 XKXIKQQRVKBDKE-JYJNAYRXSA-N 407.829 0.998 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)C1=O 809330231 VGDGPRLUXORFNZ-BATSVXPKSA-N 400.479 0.573 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 810778879 QAVQYDWZVRZBFT-GFCCVEGCSA-N 410.448 0.535 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CC(N)=O)C1 813841790 UQKOCTUKGVLIHE-HIFRSBDPSA-N 406.508 0.864 30 20 HCED COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cn2)CC1 815615223 LOIUPBAYFLIAMR-GOSISDBHSA-N 404.402 0.373 30 20 HCED Cn1cnnc1COCC(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 815919882 QLYOMGRGXGOBLD-UHFFFAOYSA-N 403.342 0.727 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CNC(=O)Cc1cccc(F)c1 816127216 LEDCWZBFLKRYSS-UHFFFAOYSA-N 420.378 0.769 30 20 HCED C[C@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 825320254 LKUBSRJGZXDMIU-JPAZDARGSA-N 400.478 0.835 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCOC 916198176 DMMIIGGXLAQBRP-UHFFFAOYSA-N 421.544 0.582 30 20 HCED O=C(N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1077433501 ZDTOLISIZSPCKO-LFAQGZIKSA-N 404.894 0.904 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCc3cn(C)nc3C)CC2)o1 1116821763 ASPQJAAQGYPKQV-UHFFFAOYSA-N 400.439 0.721 30 20 HCED NC(=O)N1CC[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1117721779 XDDFBACJRMCJES-CQSZACIVSA-N 421.523 0.802 30 20 HCED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1OCC(=O)N(C)C 1141874058 QBRCJWKFFYKGJH-OAHLLOKOSA-N 413.434 0.555 30 20 HCED CNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1299053863 WRNPLGOPKNQOJP-INIZCTEOSA-N 411.466 0.553 30 20 HCED COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1301869840 ZZYMDYJCCRIDMY-ZNMIVQPWSA-N 403.487 0.462 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)F 1303860588 CDIINNGEUVRWTH-ZYHUDNBSSA-N 421.449 0.627 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OCC)CC1 1319379984 NEELPMGRBBJNBE-KRWDZBQOSA-N 422.526 0.248 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCN3CCCS3(=O)=O)CC2=O)cc1Cl 1435985853 MJOUKOUHULKYAF-CYBMUJFWSA-N 410.883 0.716 30 20 HCED CN(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1503613463 OEBYSTYMGCFBHB-CYBMUJFWSA-N 415.420 0.623 30 20 HCED CNS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1503836002 MDOQSDFPPPAQQH-GOSISDBHSA-N 422.486 0.891 30 20 HCED N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(=O)NCC(F)F)c1 1505313983 NYQIIKIDTXEJBL-CYBMUJFWSA-N 403.393 0.510 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1517627104 KWRISKQQRHKCAV-ZDUSSCGKSA-N 417.495 0.033 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 1556993184 ZOVWQQZSYPZTTA-GZBFAFLISA-N 406.508 0.910 30 20 HCED CCOC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1557388133 OVYNVRFTCYEXHL-LBPRGKRZSA-N 407.370 0.837 30 20 HCED N#Cc1cn(CCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(=O)nc1O 1624577021 IVRMJSGKSCLLRK-KRWDZBQOSA-N 410.409 0.759 30 20 HCED CCNS(=O)(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 1629550670 YTLKQSIEXOUNAK-UHFFFAOYSA-N 400.460 0.903 30 20 HCED Cc1nnsc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1692948948 YCNLOYYEXCYKFA-NHYWBVRUSA-N 411.488 0.830 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)n1 1742713131 LLYPAVFSOBHSMU-MSOLQXFVSA-N 414.514 0.589 30 20 HCED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(C)(C)O 1747194353 ZMCIYHHSNWBBLT-CQSZACIVSA-N 400.487 0.962 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1747540763 IYKAGUKHLFNCSU-HNNXBMFYSA-N 402.480 0.528 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1760374891 ZCBWDWHFGHQDJH-AWEZNQCLSA-N 401.920 0.991 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1761365134 YKJGEJVBJSFTDV-LSDHHAIUSA-N 423.543 0.563 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778061783 UWMOKJMYYJUALL-KZULUSFZSA-N 404.427 0.995 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134543 JRBJYPPOHHWGDK-FFCJBUTOSA-N 418.494 0.691 30 20 HCED CC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779417710 JGZPZXSVBHQQNH-BCPXDLCOSA-N 411.499 0.800 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885256 LJPNRXKAROSCFY-PDQMUUICSA-N 418.450 0.293 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780256416 WDSGQPXNKXOXTD-JLELOPKESA-N 418.450 0.760 30 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ONLPXMPWQYXJMA-DYESRHJHSA-N 418.494 0.457 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1836859595 QJKDBKXGRWKJJZ-MAUKXSAKSA-N 422.526 0.470 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5ncnn5c4)CCO3)C2)CC1 1837167285 SDPLMBKXDOIXDC-FQEVSTJZSA-N 410.434 0.103 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837693018 DRKWFSSVKKTJOR-DNVCBOLYSA-N 411.524 0.053 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837703045 UBCJSXQDHNFVCZ-KBXCAEBGSA-N 415.437 0.345 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837832684 GAPYWVZKEWCLRI-IBGZPJMESA-N 404.854 0.613 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837919607 FSYUFAABEAHZKW-AUUYWEPGSA-N 422.869 0.238 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnncc1C(=O)O)CCO2 1837949273 MSJZOJYTZFYYRT-FQEVSTJZSA-N 416.434 0.048 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1839174065 CQTKRZCYAVZELW-LJQANCHMSA-N 407.423 0.254 30 20 HCED Cc1cccc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839370027 MCDBJSUPGGLXBD-NRFANRHFSA-N 400.431 0.461 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1839842057 KAAZLKPGDSLAFN-ZLGIVVLRSA-N 405.539 0.995 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)C(F)(F)F 1839892172 XRBWCVYGIMUGTQ-HNNXBMFYSA-N 403.361 0.004 30 20 HCED Cc1ccccc1CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044500 KERBBTXRFLLEKH-JOCHJYFZSA-N 414.458 0.472 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)[C@@H]3CCC(=O)NC3)C4)c2c1 1845580639 BZKKTZHECYYNJD-CQSZACIVSA-N 406.446 0.778 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCNC2=O 1847809099 ZOQGQPNZQOAINL-HOTGVXAUSA-N 401.467 0.425 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C2=NN(C)C(=O)CC2)c(C#N)c1 1848047765 PLVWQSNHMRTNDG-OALUTQOASA-N 423.473 0.919 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(I)cc2)c1=O 11457200 LISJFIFFOXZIRS-UHFFFAOYSA-N 410.171 0.662 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 52638358 BBIOJKLFLZYHIO-UHFFFAOYSA-N 412.494 0.626 30 20 HCED CN(C)C(=NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)N(C)C 305774551 ZSOLGTGXPOSYPB-UHFFFAOYSA-N 406.530 0.270 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 409499781 IBZYCMICZWTFGG-SFHVURJKSA-N 424.523 0.153 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 429834037 RQLAWEGLEWUTEH-NSHDSACASA-N 416.477 0.390 30 20 HCED CCS(=O)(=O)NCCCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 429950821 ZJJCAPVCINBQQD-LBPRGKRZSA-N 402.498 0.823 30 20 HCED N#Cc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 439461624 LMQJCPZCGZQIKI-INIZCTEOSA-N 410.927 0.633 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 441715401 IANDAIGTTZWGRG-IAGOWNOFSA-N 416.526 1.332 30 20 HCED C[C@H]1CCNC(=O)[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 442495544 MZNHJKKRFUWSCG-BBRMVZONSA-N 405.480 0.099 30 20 HCED CCCc1c(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cnn1-c1cccc(C#N)c1 443724481 ZDVJYIMEMKAVFX-FZKQIMNGSA-N 424.461 0.736 30 20 HCED C=CCNC(=O)Cc1noc(CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)n1 445335038 QLYPONMQNWZZDQ-UHFFFAOYSA-N 407.452 0.693 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCOCC1 460609159 WDXDIXDTFTULOH-KRWDZBQOSA-N 411.466 0.550 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 460686834 VAHKWKQHMDWAKZ-MAUKXSAKSA-N 418.457 1.494 30 20 HCED COCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1 461358634 IFDKDXBGGMUTKY-UHFFFAOYSA-N 415.540 0.672 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 461784235 ILVUZKDSFYDJHD-ZDUSSCGKSA-N 419.438 0.857 30 20 HCED N#Cc1cccc(OCCCCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 476158478 RQTLWNJYJMNPSW-RBUKOAKNSA-N 421.519 0.409 30 20 HCED CCn1ncnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 478051485 CEKDVKDYGFKJAM-UHFFFAOYSA-N 402.480 0.887 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 481248632 CYLILDODCWHITM-CJNGLKHVSA-N 422.532 0.749 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(COC)o2)c1=O 481577440 APWCZSKTDGTXQS-UHFFFAOYSA-N 405.476 0.325 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccco3)c2=O)cn1 489023969 CNMDUXBGYBLTTK-ZDUSSCGKSA-N 410.455 0.817 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(C#N)(COC)CC2)ccc1F 501430782 UGJMYPBZVNBNKS-UHFFFAOYSA-N 412.443 0.451 30 20 HCED N#Cc1ncn(CC(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)n1 501822869 MCVXGGDJTQBUKI-GOSISDBHSA-N 407.478 0.485 30 20 HCED CCN(CCOCCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 503410306 MQLZCBPBAUBIJJ-UHFFFAOYSA-N 417.466 0.786 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)CO)CC1 504853552 REUFIIAVOIHOCR-UHFFFAOYSA-N 423.429 0.656 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 505752359 DJXQRSKGRJFOPR-UHFFFAOYSA-N 413.455 0.709 30 20 HCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCC(F)(C#N)CC1 506531686 CGDVVNIQXFQUBX-UHFFFAOYSA-N 424.454 0.929 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2=O)cc1 506869324 YUYFSFACJHNRAZ-KSZLIROESA-N 406.442 0.727 30 20 HCED C=C(C)CN1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 517707273 PMBXPKPDIHMDRW-KRWDZBQOSA-N 402.561 0.815 30 20 HCED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 521126817 OLOVIARMQLVLOP-UHFFFAOYSA-N 413.456 0.112 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1ccccn1 523181197 AQKCQHSKSSQTJR-UHFFFAOYSA-N 406.467 0.922 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)NC(C)(C)C 524805036 PXEZNWRLMXXBMA-AWEZNQCLSA-N 408.480 0.761 30 20 HCED CN(CC(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 541169235 FNPAMYJYRRLGKH-QGZVFWFLSA-N 416.434 0.849 30 20 HCED Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551009563 PDSSPKCHGSGXMW-QZTJIDSGSA-N 420.473 0.703 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)C1=O 551127350 ZLPKFTKUGUXHTK-AWEZNQCLSA-N 407.854 0.973 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)C2=O)cc1 552737714 XSLRRCBKLBVERW-HNNXBMFYSA-N 416.459 0.553 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H](S(=O)(=O)NC(C)C)C3)CC2)o1 555281728 QFOBHJPFXWMSOS-HNNXBMFYSA-N 409.512 1.000 30 20 HCED CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCc1cccc(C#N)c1 555883563 XWVOCNFDTNULGX-UHFFFAOYSA-N 400.460 0.741 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 557731175 AYKOLDQATVMDSL-GOSISDBHSA-N 419.595 0.919 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1nnc2n1CCC2 559555494 KCMFAJLFLFYQEF-DOTOQJQBSA-N 407.478 0.638 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCN(C4CC4)C3)C2=O)cc1 559900510 KWVKOZLTWPSKRC-HKUYNNGSSA-N 409.490 0.376 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)C2)nc1 559985937 FRCARLCCFCSLJM-INIZCTEOSA-N 409.402 0.436 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 560626247 NVWUYNXPBVJANO-HNNXBMFYSA-N 401.448 0.470 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 573997349 VGSVFHRBDVGNEF-QZTJIDSGSA-N 408.543 0.534 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)c1 577638935 DJLPIULAHXZULG-CQSZACIVSA-N 410.400 0.355 30 20 HCED CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2)ccn1 581655820 BWYIGMAHADRLHM-MRXNPFEDSA-N 409.402 0.923 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC2CCN(c3cc(CC)ncn3)CC2)CC1 584179219 IKHSRVNPDUBFIR-UHFFFAOYSA-N 400.527 0.891 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585716322 IFRXXRXVCKSMDZ-UHFFFAOYSA-N 423.477 0.850 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1[nH]nc(C2CC2)c1C#N 588769026 IZDBGISINJFMNF-UHFFFAOYSA-N 404.452 0.770 30 20 HCED CC(C)N[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588870163 XIEHUTKMPQBJHC-OALUTQOASA-N 411.506 0.764 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 618876810 FFUPAFVSNVPWAZ-QGZVFWFLSA-N 404.430 0.632 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 678918546 BAULGTGBABHULE-OAHLLOKOSA-N 423.539 0.963 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 728108239 XKHIITHUBGZSJN-UHFFFAOYSA-N 412.424 0.185 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 728532317 UOBJMECPTRHBGN-UHFFFAOYSA-N 406.464 0.833 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(CCN2CCOCC2)CC1 732467016 SCSDWVWOMYWGNY-HNENSFHCSA-N 405.499 0.657 30 20 HCED CNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 732496313 RAPVJKZXQQTKFE-IEBWSBKVSA-N 404.426 0.955 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)CC1 733150267 GENZVURLEPZUEQ-UHFFFAOYSA-N 410.522 0.720 30 20 HCED CC[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737268217 BDDPWEXDQBPBAY-AFDUHFSSSA-N 410.496 0.715 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc3c(c2)nnn3C)CC1 737435054 YYDQOJXIJWLBQF-UHFFFAOYSA-N 414.495 0.745 30 20 HCED COc1ccc(C(=O)NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741340150 KMDJBQWTESCDRV-HTXNQAPBSA-N 401.375 0.411 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)CC1 747279613 XYSJTVHQXKNHHG-UHFFFAOYSA-N 407.492 0.227 30 20 HCED C[C@H](CC(=O)NCC1CCN(CC#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748336419 UVACYCULFODSJC-CQSZACIVSA-N 403.508 0.855 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749856415 PTKBGILHVDQRTP-ZDUSSCGKSA-N 400.504 0.798 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)c1 759408334 NHJHNSJPLKCZGV-UHFFFAOYSA-N 411.418 0.879 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(CNS(=O)(=O)c3cnn(C)c3)n2)c1 761808013 RXTRHBFAHIVALR-UHFFFAOYSA-N 400.420 0.312 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccn(C)c2)c1=O 763460439 IICZBRNOVLMKGY-UHFFFAOYSA-N 400.504 0.455 30 20 HCED COc1cc(OC)cc(OCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 763810528 AHLBQYATPYZIFQ-UHFFFAOYSA-N 419.459 0.938 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O 765108503 OCXZFMBGDPYIDL-UHFFFAOYSA-N 419.337 0.895 30 20 HCED CCOC[C@H](C(=O)OC)N(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772714268 UPGVUUXLJIXRSJ-GXTWGEPZSA-N 411.480 0.540 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)C1=O 778120012 CLELRMLFDURQAO-UHFFFAOYSA-N 406.439 0.647 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)C3CCN(S(N)(=O)=O)CC3)C2=O)cc1 778768448 IXUXBBXMPWNAAA-MRXNPFEDSA-N 406.464 0.512 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)cn1 781062462 HVJAIZDWYHMBSP-UHFFFAOYSA-N 416.459 0.913 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 783004581 AMQSVQOWCOJNFJ-UHFFFAOYSA-N 404.533 0.439 30 20 HCED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 789723736 DJZIZEXUMAKIBG-HNNXBMFYSA-N 416.459 0.411 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccc(C#N)nc2)CC1 791051846 JNJVRXBZTWYIPE-AWEZNQCLSA-N 414.491 0.750 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cn2nc(CC#N)n(C)c2=S)C1 794645930 QJULTIHTCAAUFO-CYBMUJFWSA-N 402.546 0.347 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CCCNC(=O)C(F)(F)F 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20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCSC 443549430 HMLQXSTZRORUMB-UHFFFAOYSA-N 418.500 0.003 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C 445601268 QRCQXRGXPDLXNL-UHFFFAOYSA-N 409.870 0.895 30 20 HCED COCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 446539517 MPHLTMQJPTVADD-INIZCTEOSA-N 423.491 0.970 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCC(=O)N1CCCCC1 460601732 BMWXQINHMYFIEN-UHFFFAOYSA-N 409.450 0.905 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(Cc2ccco2)CC1 464860486 QHQZCXNCPWVIFH-QGZVFWFLSA-N 409.494 0.796 30 20 HCED CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465417925 RJKYAMYXFYBDBV-AWEZNQCLSA-N 421.461 0.660 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 467048918 UDHZYXYXGXMXGP-LESCRADOSA-N 405.476 0.979 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1 467139584 BZQAXYAKJGAREI-GFCCVEGCSA-N 405.448 0.330 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCc1c(OC)cc(OC)cc1OC 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0.781 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)c(C(F)(F)F)c1 547921603 FLGHYTDQZIESHO-MWLCHTKSSA-N 405.354 0.916 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COCCOC)C1 549274717 QVCLABBCCCCOCL-LSDHHAIUSA-N 401.533 0.954 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)CC1 550386083 BRKSZDAJMBIKIP-OAQYLSRUSA-N 421.501 0.734 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 553345616 SCGIWMZOMVZJMT-HNNXBMFYSA-N 422.551 0.929 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 554178117 XVLPPWHPSXVTPJ-UHFFFAOYSA-N 404.448 0.923 30 20 HCED COCC[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 575782324 CGMCDOVFUNUAIX-LJQANCHMSA-N 422.507 0.588 30 20 HCED C[C@@H]([C@@H](C)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 587658599 CARFFMWGSDLVSY-CVEARBPZSA-N 414.510 0.264 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 588127725 QBHDIJWJZWCMSW-UHFFFAOYSA-N 405.543 0.489 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 589461676 XCMYLCRUVZUJEH-QAPCUYQASA-N 416.503 0.838 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)CC2)c1C#N 589966645 LJQUCITZZRXDAI-AWEZNQCLSA-N 406.512 0.378 30 20 HCED COCCN(C)S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 609541776 OBSIPLDKRLMFBD-UHFFFAOYSA-N 410.475 0.810 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 610928859 SBVRQNHUFKFEHH-UHFFFAOYSA-N 410.908 0.139 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2)cc1 616842188 FAUZIPCPKOIMLT-UHFFFAOYSA-N 405.480 0.824 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617122628 IONGTZSPJQCTDH-DLBZAZTESA-N 404.492 0.589 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 732785017 VOUKINDUTYLPHF-CQSZACIVSA-N 417.409 0.833 30 20 HCED Cc1ccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1C 733567065 VWFGVXTXIIYEID-UHFFFAOYSA-N 400.391 0.514 30 20 HCED Cc1nc2cc(O)nn2c(C)c1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 733884223 PWQGMJGXWIZMPZ-UHFFFAOYSA-N 414.447 0.407 30 20 HCED Cc1cc(C(=O)OCC(=O)NCc2cccc(C#N)c2)nc2c1c(=O)n(C)c(=O)n2C 738860059 JCXNZDUEIWIHPD-UHFFFAOYSA-N 421.413 0.286 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c1 741181302 NWUULFKPHWMAEK-UHFFFAOYSA-N 414.462 0.802 30 20 HCED NS(=O)(=O)c1ccc(NN=Cc2c(N3CCOCC3)nc3ccccn23)nc1 741807294 YQNBZXLKIPGYOX-UHFFFAOYSA-N 401.452 0.659 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 744144845 ZXKXYVNYASSMBG-UHFFFAOYSA-N 421.456 0.244 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 744521017 FUHMMCIFQAFNMB-UKRRQHHQSA-N 403.460 0.671 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1 747816453 FKKKZZSKRWRZCJ-UHFFFAOYSA-N 424.545 0.727 30 20 HCED N#Cc1ccc(CC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 750246771 SJNHGOJVDCUKLQ-ROUUACIJSA-N 420.487 0.839 30 20 HCED C#CCNC(=O)C1CCN(c2cc(N3CCC(C(=O)NCC#C)CC3)nc(C)n2)CC1 751876422 URDYVPNDCOEREA-UHFFFAOYSA-N 422.533 0.717 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 758597025 NPMWGFZHZCLEEY-KGLIPLIRSA-N 400.501 0.869 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 764939609 MSGFNCJHBYBXOG-CQSZACIVSA-N 410.455 0.961 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc3C2)c1 769829173 CQWMQZVOMZOSFI-UHFFFAOYSA-N 413.455 0.965 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCNc2ccc(C#N)cn2)C1=O 771270668 TVYSDXCVLUTURG-NRFANRHFSA-N 422.445 0.957 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCCS3(=O)=O)CC2)o1 772410313 GHAAKXNTQLBSPH-AWEZNQCLSA-N 410.452 0.014 30 20 HCED N#CCCCS(=O)(=O)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 776117680 VKSZFZKEFWRDNV-UHFFFAOYSA-N 424.504 0.597 30 20 HCED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C1CC1 777312446 CARIBHFAJIOYTA-UONOGXRCSA-N 413.496 0.646 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 780043193 AJKKTZHAGLAFOW-CYBMUJFWSA-N 416.459 0.922 30 20 HCED CCOC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 781203882 FSQSYZYGPIQWDG-MLGOLLRUSA-N 409.464 0.200 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)cn3)CC2)cc1 782026600 URFHAYHXNPWXDY-UHFFFAOYSA-N 413.503 0.884 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)c(C)c1)[C@H]1CCS(=O)(=O)C1 783479573 DRMLUARPOOHLRK-KRWDZBQOSA-N 419.503 0.419 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OCC)cc2)CC1 784691905 IURYHJAWRDYDEU-UHFFFAOYSA-N 415.446 0.555 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCn1c(C)nnc1S 784776149 JCVMOHDQRKIFOD-UHFFFAOYSA-N 404.452 0.527 30 20 HCED N#CCN(C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccccc1 786367020 MFBBHHMYINMDAS-OHDICMOHSA-N 411.414 0.639 30 20 HCED COc1cccc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)c1 787780438 YLPWRZDOXSDPPO-UHFFFAOYSA-N 408.462 0.839 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C)[C@H]1CCS(=O)(=O)C1 789590126 RJWDPZUESMEMOZ-INIZCTEOSA-N 400.460 0.768 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(N3CCC3=O)c2)n1 790965102 DDQYRCITVLPKRX-UHFFFAOYSA-N 409.446 0.867 30 20 HCED CCN1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 792476295 OCHPAVUPAKCDRW-HKWRFOASSA-N 421.479 0.086 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@H]3CCCOC3)CC2)cc1 792742051 GPTQGLSSGNNMSR-INIZCTEOSA-N 413.521 0.621 30 20 HCED CCNC(=O)OC[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804235040 OEWZDHHMWZKZOI-CYBMUJFWSA-N 408.480 0.852 30 20 HCED COc1ccc(CNC(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)cc1C#N 807695992 YDUUOMMSGMNQCC-UHFFFAOYSA-N 407.473 0.964 30 20 HCED Cn1ncc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1N 814687612 NHNNKXDCPCQOMZ-UHFFFAOYSA-N 409.428 0.377 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 815849334 QQEFYXYMWGRTHU-BPHPCYGNSA-N 408.480 0.685 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)C(C)(C)C)CC2)o1 915373864 IAEWVPOYQAXQMJ-LBPRGKRZSA-N 405.455 0.597 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CC(C)C 917354985 HZEXPNOSQCZDIW-UHFFFAOYSA-N 417.535 0.182 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NC)CC2)cc1 919665809 FLVNQMSJBMPXCV-MRXNPFEDSA-N 421.475 0.719 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1cccc(OCC#N)c1 1117660861 FDKUKQUAMRXMEX-HNNXBMFYSA-N 408.480 0.424 30 20 HCED CCc1noc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1141414128 SVZYVGQWIUCTRN-UHFFFAOYSA-N 419.463 0.553 30 20 HCED COC(=O)[C@H](Cc1ccccc1O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1148295635 SNGOMEXOKACRRD-AWEZNQCLSA-N 417.443 0.331 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](n2cncn2)C(F)(F)F)cc1 1151543652 BKTFZDBWIXIQCT-CYBMUJFWSA-N 401.370 0.984 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cnn(C)c1 1157776499 VJZYBPYXTWDMET-OAHLLOKOSA-N 417.491 0.872 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)CNc3ccc(C#N)cn3)CC2)cn1 1293852338 IOQXTMWEOIASMC-UHFFFAOYSA-N 403.468 0.068 30 20 HCED CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303274638 JFJKDPLLHRXIJD-IAGOWNOFSA-N 400.531 0.746 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(N=C3NS(=O)(=O)c4ccccc43)cn2)C[C@@H](C)O1 1322157218 KUKMKPAFZXAGDI-CHWSQXEVSA-N 403.464 0.889 30 20 HCED Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1325130526 UIWMBWPDLCFCKP-CYWPZFBISA-N 411.487 0.977 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1347063349 JIAXWYOOHGNRLI-AWEZNQCLSA-N 416.463 0.631 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(C)CCC(=O)N1 1450977485 MEXGTVXWHDUJGR-LIRRHRJNSA-N 406.508 0.925 30 20 HCED N#Cc1sccc1N1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1464069713 ORVUYWKUNLUQFP-CYBMUJFWSA-N 403.551 0.896 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1 1507782228 XKXCCUSKBNEPAZ-LLVKDONJSA-N 412.292 0.599 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1539804231 SZCAECZXHNVDHN-ZIAGYGMSSA-N 419.935 0.979 30 20 HCED COC(=O)c1cn(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nn1 1539990606 XWYREZLMGIWIOP-LBPRGKRZSA-N 416.825 0.759 30 20 HCED Cc1cnn(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1542829334 RFTLGAVQXQYVPE-CABCVRRESA-N 405.484 0.114 30 20 HCED CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1547575781 VCIPFFASDSHLGC-RHSMWYFYSA-N 414.507 0.896 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(C#N)(c2ccccn2)CC1 1635093493 VCAFIPZBDOOVBP-UHFFFAOYSA-N 421.523 0.299 30 20 HCED C[C@@](O)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1Br 1639553003 QDBOFTGMBRPIIW-QGZVFWFLSA-N 421.251 0.997 30 20 HCED C[C@H](CC(=O)N1CC[C@H](CN2CCCC2=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1645886009 UHKBHSBCKHUAPB-HUUCEWRRSA-N 418.519 0.975 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682384696 JGPGSUOZCAFMKR-ROUUACIJSA-N 406.508 0.634 30 20 HCED COCCN1C[C@@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1712470739 SWONKLXKTFKMGW-RDJZCZTQSA-N 411.466 0.564 30 20 HCED CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1728635853 JSEYEWCEDQFDFO-GBESFXJTSA-N 417.558 0.784 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1750069282 KDOIDOYSUBNEQC-HZPDHXFCSA-N 402.547 0.851 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825377 NMECFWWHIVGCOS-ACJLOTCBSA-N 404.496 0.522 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2)C1 1778967865 JKACBZGNOGQWQH-PNLZDCPESA-N 423.554 0.940 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020633 RQIXRSCUOCCULG-MHTGZXFVSA-N 416.526 0.821 30 20 HCED Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1779134511 HMPWAIIQWDLHKW-LKQKOTCASA-N 401.423 0.463 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnn1C)C2 1779333959 KHNHRAHJZPBNQV-RZQQEMMASA-N 405.499 0.516 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1781269906 UOGOTRXFLSNJFP-OAQYLSRUSA-N 418.494 0.908 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](C)ON=C(C)C)C4)C3)(C1)C2 1781398468 QIJMTRCVQZTRRG-NUDUCMMGSA-N 421.494 0.961 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017319 HCGXPZVCMVAIME-RZQQEMMASA-N 402.451 0.121 30 20 HCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1782353424 MLCHWERGDAQDJM-GCKMJXCFSA-N 418.494 0.292 30 20 HCED CCC1(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)COC1 1782948800 OLCIXUOTMHKJJG-MKMCAPMPSA-N 409.483 0.772 30 20 HCED CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558199 PVSUMELZJHVURN-GCKMJXCFSA-N 420.462 0.274 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1783567430 OVLZIHAFKDDVBD-NRFANRHFSA-N 410.430 0.413 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783893989 ROZOMVIFBLGTPT-SHYBKKQSSA-N 407.492 0.600 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCCN3C)[C@H]2C1 1784114141 RKNOMIRYVJQZNC-OKYOBFRVSA-N 421.538 0.960 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnc3)[C@H]2C1 1784257330 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XOUBUEBUBQREJE-UHFFFAOYSA-N 405.484 0.107 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 442297629 DIWMANVBUGLIGX-UHFFFAOYSA-N 420.535 0.627 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 444516257 SNKLNVDKLXQLOK-IAGOWNOFSA-N 408.462 1.208 30 20 HCED CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460734291 JWSNSBBIHWJCAG-INIZCTEOSA-N 423.477 1.245 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCc1ccccc1 482105280 GOZBDBPYDBYAOM-OAHLLOKOSA-N 414.487 1.000 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491386827 IGZKORLFKCMIGK-UHFFFAOYSA-N 423.477 0.853 30 20 HCED C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1=O 500015896 UBDVRPVDDLWKGF-YOEHRIQHSA-N 408.524 0.983 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1cc(O)n2ncc(C#N)c2n1 502692823 RCUYRLDTOCSHPP-UHFFFAOYSA-N 414.403 0.513 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCOC2)c1=O 505660063 JBYIUUPWZDRENU-AWEZNQCLSA-N 400.504 0.716 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)n(C)c1=O 505835500 XHODQKZMGKJGGR-CYBMUJFWSA-N 400.826 0.858 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 508460599 ZMRSJAKXKKHYIT-QZTJIDSGSA-N 421.461 0.892 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508919034 OSPAQKHGBOZFDH-UHFFFAOYSA-N 401.471 0.760 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 511947871 QUUNHLSICMQWDK-UHFFFAOYSA-N 411.443 0.447 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1=O 514634899 GRYHZIGHYFEJLI-ZDUSSCGKSA-N 406.445 0.885 30 20 HCED N#Cc1ncn(CCNC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 517752721 CIIDWWHHUSFTBN-UHFFFAOYSA-N 417.495 0.550 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 524281067 DZXOTHKMMFUHSW-GFCCVEGCSA-N 411.483 0.448 30 20 HCED N#Cc1ccc(NC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1Cl 532894144 PJZJAOPDGOYUJM-UHFFFAOYSA-N 419.869 0.153 30 20 HCED CC#CCNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 534263289 FYDQGGNNGVBZSX-UHFFFAOYSA-N 409.446 0.194 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 546005656 UFNLLNNQFGVSNI-AWEZNQCLSA-N 401.467 0.564 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1=O 550171440 GDUXKIWEIIKBMO-RBUKOAKNSA-N 414.506 0.421 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1O 550652793 ADTBKCDEUKEZSY-YTQUADARSA-N 405.495 0.617 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc3c2OCC(=O)N3)CC1 551191292 VVZKHFBDYSUJAN-UHFFFAOYSA-N 406.402 0.571 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N2CCc3ccccc32)CC1 552828095 DGDLEYKOHMHKLX-QGZVFWFLSA-N 413.522 0.000 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 553012056 PXTNDQSGUMFZOQ-OAHLLOKOSA-N 422.551 0.881 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1=O 554419622 SQPKVGCUPAPNQH-GDBMZVCRSA-N 402.426 0.293 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 561453667 ZTQQYAYYJLGBBQ-LAQRGFTBSA-N 414.506 0.066 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1 563967006 PCSCDKSTAASQAZ-UHFFFAOYSA-N 406.464 0.402 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCCOc1ccc(C(F)(F)F)cc1 570247794 LATSXGIFSJOIPC-UHFFFAOYSA-N 408.402 0.832 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CN(c3ccccc3)C2=O)n1 580502896 KTVGXKCGPMRNMU-HNNXBMFYSA-N 401.386 0.609 30 20 HCED CCCC(=O)NC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 583842097 BOHVIGUVCLBHTJ-MRXNPFEDSA-N 406.508 0.991 30 20 HCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(=O)N(C)C)c1=O 604269922 JGADEUBBYZRXBN-UHFFFAOYSA-N 416.528 0.150 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609458155 OTDNTSVMAFKTLB-KRWDZBQOSA-N 423.495 0.956 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 610738760 YGMAMFBQDVTIFK-UHFFFAOYSA-N 404.414 0.972 30 20 HCED C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611662362 RWCCJGVOYZGHEJ-GUTXKFCHSA-N 413.452 0.020 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)c2)CC1 615635014 OGEWIXZSSGCQMP-GOSISDBHSA-N 423.470 0.025 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)cc1 615643884 HRDJNZRXXKLOHU-GOSISDBHSA-N 410.471 0.466 30 20 HCED CN(C1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1)S(C)(=O)=O 725771833 MIPHOFWCXMFPOX-LJQANCHMSA-N 419.507 0.639 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 728686023 LCCARMOCCNVLLA-UHFFFAOYSA-N 401.898 0.954 30 20 HCED N#C[C@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)C(=O)N1CCS(=O)(=O)CC1 732909976 IEOKIJPTVWUMEV-HZPDHXFCSA-N 419.459 0.536 30 20 HCED CN(C)CCN1CCC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 733882698 VJIKTYFZMUPXFN-UHFFFAOYSA-N 407.540 0.115 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)n(C)c1=O 744489299 LTGAVKAFMQRQJQ-UHFFFAOYSA-N 421.373 0.099 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCC(=O)NC(N)=O)cc1 747248183 HPOSALVVGFPOMC-FYJGNVAPSA-N 410.456 0.206 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C#N)cs2)c1=O 748646380 VETPXOYYVBCQNF-UHFFFAOYSA-N 402.501 0.517 30 20 HCED CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 749379794 PXCVHIUOCPEWNK-UHFFFAOYSA-N 412.487 0.812 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 749670075 LASDXPYOHHUGAK-UHFFFAOYSA-N 413.409 0.924 30 20 HCED Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)nc12 750725115 QRCJESQOQPSCTD-NSHDSACASA-N 406.406 0.280 30 20 HCED COC(=O)c1cn(C2CN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 758968872 HBWIBZYNNREQJZ-IBGZPJMESA-N 409.406 0.218 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cnc1Cl 760384591 CYZFINWXHGYVPN-UHFFFAOYSA-N 418.906 0.870 30 20 HCED N#Cc1cccc([C@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CCO2)c1 761328976 BPIWXIVPUBAGMX-QGZVFWFLSA-N 412.427 0.850 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)c1 763457517 CTUKIEAUJAMOIS-UHFFFAOYSA-N 409.471 0.410 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(N)=O)c2cccc(Br)c2)C1=O 763674366 HXVJVYICRXUXPC-LBPRGKRZSA-N 424.207 0.496 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CCCCN1S(C)(=O)=O 766980345 RBLXZMMMNWXDFO-LBPRGKRZSA-N 401.466 0.186 30 20 HCED COc1ccc2c(c1)nc(CNC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)n2C 770148503 YSCPKWXIDPCMIZ-UHFFFAOYSA-N 413.459 0.937 30 20 HCED Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCC3)C2=O)cc1 771079282 SQQRRIXYPVUIIU-SFHVURJKSA-N 418.475 0.902 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCO[C@@H]2C[C@H](N(C)C)CC[C@@H]21)c1cc[nH]n1 772436721 VQBMKGTWPSBTAV-VNQPRFMTSA-N 407.471 0.404 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CCCO1 773789284 LHGMYAKWHXTEAC-HZPDHXFCSA-N 418.475 0.393 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)OC)CC1 781476539 IVEHZOQYTRBLLW-UHFFFAOYSA-N 407.373 0.678 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 783480815 VBKIQGBEAXSCEN-WMLDXEAASA-N 420.487 0.626 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)cc1 784772159 GBAMUWATYCVLGR-JZRFMTABSA-N 424.523 0.961 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)[C@H]1CCCO1 785641981 UQZKRMQDFPQYPR-ZWKOTPCHSA-N 421.519 0.428 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2ccc(C#N)[nH]2)c(O)nc1=O 786092558 OOYVRKHENAPKDS-UHFFFAOYSA-N 402.411 0.741 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 786444176 XJDWFGURQDZSMJ-FQEVSTJZSA-N 417.441 0.384 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(CN2CCOCC2)CC1 787753761 JVVJWPHDLHNWHG-UHFFFAOYSA-N 400.483 0.052 30 20 HCED Cc1cc(F)cc(-n2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)nn2)c1 789425101 IZJAZABEJFFSOB-CQSZACIVSA-N 405.411 0.294 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 793206254 YCQLBUQPGSVBJT-LBPRGKRZSA-N 405.432 0.560 30 20 HCED Cn1c(=O)n(C)c2cc(OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 794170078 QCYVNJCAWMBBKR-UHFFFAOYSA-N 414.443 0.911 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCn2cnc(C#N)n2)C1=O 795174701 ALETZFWPZQTOIZ-CQSZACIVSA-N 413.463 0.926 30 20 HCED C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 795817796 SSEZMQSLZIFPPN-RRQGHBQHSA-N 403.460 0.818 30 20 HCED CN(C(=O)COC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(C)(C)C#N 795841688 SFHOAAVQRBVSJC-MRXNPFEDSA-N 403.357 0.922 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 805092397 DVJDCUAREVZBBQ-HNNXBMFYSA-N 407.496 0.595 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCS(=O)(=O)C1 807799674 OOBKYJZDYSDERW-CYBMUJFWSA-N 413.521 0.446 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)n1 809867078 LKCJJZGKKGBVSS-GOSISDBHSA-N 403.527 0.728 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)c2cncc(C#N)c2)CC1 810041360 VVFMLHCVBLVYAX-UHFFFAOYSA-N 423.495 0.749 30 20 HCED C#Cc1ccccc1CC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 810123648 PMHIFDKUJSYFFW-UHFFFAOYSA-N 412.515 0.874 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 810781710 AXVDFVMNNRGTEU-CLOOOTJHSA-N 403.460 0.259 30 20 HCED CC(C)S(=O)(=O)CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 811555351 XIOPAVPJGHGHCO-UHFFFAOYSA-N 401.510 0.445 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CCC1 814254117 RNVWPSTYFCBWHY-UHFFFAOYSA-N 415.519 0.507 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 918874989 JXIFTYHXCAVWMW-UHFFFAOYSA-N 424.479 0.571 30 20 HCED C=CCCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCO2)nn1 944612731 ZNUBODZAZSNRKX-KJFNJWSJSA-N 401.467 0.235 30 20 HCED N#C[C@H]1C(CN2CCC[C@H](CNS(N)(=O)=O)C2)=CC(=O)n2c1nc1ccccc12 1253337853 GNDBRRATNNHHQN-HIFRSBDPSA-N 414.491 0.729 30 20 HCED Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1289161825 QHVKQOHATWZWND-SUMWQHHRSA-N 424.506 0.995 30 20 HCED C[C@H]1COCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1291308401 MTYQHVQTEGFTET-DOTOQJQBSA-N 422.555 0.641 30 20 HCED CC[S@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297804919 VHMQBLWXZNITTQ-HJWYETAXSA-N 402.528 0.624 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCC1 1360684219 MAOHEMKRIWFAKU-SWLSCSKDSA-N 400.480 0.635 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(C)CCOC 1546527947 WEEZRRIPVWOGQH-UHFFFAOYSA-N 415.546 0.659 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)[C@@H]4CCC[C@H]43)CC2)o1 1617917954 KEXISMXDKBTUGN-HZPDHXFCSA-N 407.496 0.155 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1F 1630507519 JTFREUNODZGYIV-UHFFFAOYSA-N 413.409 0.643 30 20 HCED CNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1748269425 PWNUWBSUEFNJCV-AWEZNQCLSA-N 418.479 0.213 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1748277982 MTAXAEZOUARQRG-INIZCTEOSA-N 416.507 0.966 30 20 HCED 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CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CCC1 1847510085 JYKZBGJFPVBOQK-SOUVJXGZSA-N 406.483 0.768 30 20 HCED COCCOCCOCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746517 FDAYNDQIGNELIK-OALUTQOASA-N 408.495 0.298 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NC(C)(C)C 24072135 PPSHUUWCAUFJLQ-LLVKDONJSA-N 410.452 0.393 30 20 HCED Cc1cccc(NC(=O)CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1C 28753598 RDAFBSYXIPZOMR-UHFFFAOYSA-N 410.478 0.333 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2ncccn2)C1)S(=O)(=O)c1ccc(C#N)cc1 46423394 CENKVUHVERBWEY-INIZCTEOSA-N 414.491 0.754 30 20 HCED C#CCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 138623883 PSEMMPNYUWSBIW-UHFFFAOYSA-N 408.480 0.761 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 409479962 ZTMFFPHHCZAKHG-AWEZNQCLSA-N 400.526 0.995 30 20 HCED Cc1sc(NC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)c(C#N)c1C 426367308 WEVANDVANQYJLT-UHFFFAOYSA-N 403.508 0.942 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)cc1Br 433002310 XDNJZBMGFAFBMO-UHFFFAOYSA-N 401.242 0.541 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)CCN(C)C)cc2)C1=O 440267210 KYSAUIHUVPKGLK-KRWDZBQOSA-N 415.494 0.761 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441957794 UTPLOSFHQBSAQF-ZDUSSCGKSA-N 410.455 0.216 30 20 HCED C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 447774799 APGIPUGZYQWRAV-LBPRGKRZSA-N 422.486 0.794 30 20 HCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465422505 KBAZTYBITACWJL-ZDUSSCGKSA-N 407.434 0.431 30 20 HCED CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 471188963 XZDSTYNMPFRZDV-UHFFFAOYSA-N 406.508 0.958 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)cn2)c1=O 474342145 SRIFLBGFXWNZFG-UHFFFAOYSA-N 412.540 0.878 30 20 HCED C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 475598164 ZTSAWCGLUJXTKM-ZIAGYGMSSA-N 405.542 0.319 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 480262768 WVRJNKXNEVAOQF-UHFFFAOYSA-N 414.443 0.200 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)C2=O)cc1 480836333 ADSRGUOUGPJSLQ-SJORKVTESA-N 406.446 0.692 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2csc(C)n2)c1=O 484484518 GJLWNNKIJSBSLS-UHFFFAOYSA-N 418.569 0.939 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 484823127 IQVWPTONJPNTPQ-CYBMUJFWSA-N 419.463 0.912 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@]3(C#N)CC3(C)C)cc2)CC1 484897985 BBCRGZVLWMDFGE-IBGZPJMESA-N 404.492 0.961 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486597162 CEXVJGOLFVKYGK-KRWDZBQOSA-N 420.491 0.379 30 20 HCED COC(=O)CCN(C)S(=O)(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 486998968 OWBDRTXOWNMKOK-UHFFFAOYSA-N 408.480 0.948 30 20 HCED CN1CCN(C(=O)CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487369110 UXILMCKBFMYRDS-GOSISDBHSA-N 412.494 0.122 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489193681 GPGLDVFQVFMJIF-QGZVFWFLSA-N 404.430 0.663 30 20 HCED C=CCc1cc(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc(OC)c1OC 497957124 XFHDLBGXXPZXNA-UHFFFAOYSA-N 401.423 0.369 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CCNS(=O)(=O)c1cccs1 499338440 VJLYXAPNOHBQGJ-UHFFFAOYSA-N 400.526 0.491 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 499801906 WGBXWQCCIDUDOX-INIZCTEOSA-N 417.441 0.693 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1Br 499911549 KFDHJBZXNFEAHW-SNVBAGLBSA-N 401.242 0.149 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c1 505002545 IVRDRWYQSCBJID-INIZCTEOSA-N 405.480 0.712 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 508942009 LNZDGSUVZMERIE-UHFFFAOYSA-N 405.414 0.584 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 512492928 AEXJAMOBUUZSEB-UXHICEINSA-N 414.506 0.855 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2CC)c1=O 512757399 JTDWULFDTGFARW-OAHLLOKOSA-N 413.503 0.110 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCNC(=O)c2cnccn2)c1 524432243 WIALJBGLWMOUJV-UHFFFAOYSA-N 404.333 0.434 30 20 HCED COCc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)c1 525265671 IOLYECPJYLVPPS-UHFFFAOYSA-N 413.499 0.660 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)NC2(C#N)CCC2)c1 527118009 OSTPCBCMKOYOAN-UHFFFAOYSA-N 421.523 0.748 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n(CCC#N)n1 532610359 MCYAVUSQXAVUJY-UHFFFAOYSA-N 409.450 0.491 30 20 HCED CCCS(=O)(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 538096870 XRIOTTRZFXDHGB-SFHVURJKSA-N 413.588 0.473 30 20 HCED COc1cc(C#N)ccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 545295418 LWKLJZZKCLEYFY-UHFFFAOYSA-N 401.423 0.102 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)C1=O 546783936 XYOKEPXHNQHIIH-KRWDZBQOSA-N 407.492 0.566 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 546862114 CPKFWFPYONVDIV-UHFFFAOYSA-N 404.492 0.009 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 549824957 CJCRJPISEAGNDF-BMGDILEWSA-N 414.462 0.168 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCCn2cnc(C#N)n2)cc1 552328549 ZJRGHEZLGSMOQE-UHFFFAOYSA-N 404.496 0.932 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 553672108 LNYLVAAVWAERJC-UHFFFAOYSA-N 423.535 0.742 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2cc(C#N)ccc2C)cc1S(N)(=O)=O 556989080 DDVWRMFOAHPHBM-UHFFFAOYSA-N 416.459 0.820 30 20 HCED Cn1c(=O)c2cc(NC(=O)N3CCN(c4cnccc4C#N)CC3)cnc2n(C)c1=O 559425625 ALZMQSJOVLAWTA-UHFFFAOYSA-N 420.433 0.253 30 20 HCED CC(C)NS(=O)(=O)N1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 559761380 CUXBHGFMERGQKE-GOSISDBHSA-N 405.524 0.914 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 579166661 DELJSOBTSQOJSU-UHFFFAOYSA-N 410.452 0.510 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CN1Cc1ccccc1 583045500 QJYAWOILPLVCKB-WBVHZDCISA-N 423.521 1.034 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 585701270 SOSXGJBVAMOYGG-CZUORRHYSA-N 421.461 0.585 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 585760637 DOCMSEHNKZFKLC-UHFFFAOYSA-N 419.441 0.860 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 604373670 YDALJWXNQJMPRI-SFHVURJKSA-N 422.551 0.287 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1 609664868 LLPZSEVJRMIDTB-IBGZPJMESA-N 404.536 0.711 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1[C@@H]1CCOc2ccccc21 610245135 WKBRKINIFWBOPZ-QGZVFWFLSA-N 418.478 0.926 30 20 HCED COC(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 619604674 PFIZMLFXXYUQHU-ZDUSSCGKSA-N 408.374 0.979 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725950761 GRJGHFUCZIHOEX-DLBZAZTESA-N 416.409 0.600 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(Cc2ccccc2)C(C)C)C1=O 726042171 FKQJPSNDEFGRTQ-UHFFFAOYSA-N 401.419 0.944 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1 726380693 BKXYWGNTWADIAI-UHFFFAOYSA-N 413.455 0.731 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 728573041 IUHIQXRTCJXITJ-CQSZACIVSA-N 403.439 0.297 30 20 HCED CN1CCN(CC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 731883938 QWINCHQUBAGYPN-UHFFFAOYSA-N 419.551 0.211 30 20 HCED COc1ccnc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1 732466874 SLKXDXQYLAZFGD-ZCXUNETKSA-N 400.439 0.448 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@@H](C)c3ccccc3)c2=O)cn1 732563165 SPCMCPKGRFAKCU-AWEZNQCLSA-N 407.499 0.985 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)CN2CCC(=O)NC2=O)cc1 733561004 ZWSCVZWYCSMZGQ-UHFFFAOYSA-N 402.407 0.817 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CC1 735519216 QXNABUGPYMMWMZ-SFHVURJKSA-N 412.538 0.763 30 20 HCED C[C@H](CC(=O)OCCNC(=O)c1ccncc1)/N=C1/NS(=O)(=O)c2ccccc21 744045713 MLELNQYYUBZHAE-CYBMUJFWSA-N 416.459 0.872 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 747567301 NDDWIWKKAQCRBY-DJIMGWMZSA-N 420.535 0.825 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 747736312 JMRKUMBRWRQJPH-QZTJIDSGSA-N 417.506 0.956 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)CC1 747993678 PJVGINIGGMRVPF-UHFFFAOYSA-N 418.881 0.968 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C2CC2)c1 749694498 HTPAVMZMRZUZGR-SSPLZPMDSA-N 408.480 0.325 30 20 HCED COC(=O)c1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c[nH]1 753161368 HUJSRMIJWHQOGJ-UHFFFAOYSA-N 406.468 0.578 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 753882368 ZQKOSAKDKARFAX-AWEZNQCLSA-N 422.507 0.098 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758078130 ZDSNXLDATPCTJI-UHFFFAOYSA-N 420.494 0.843 30 20 HCED COCCN(CCOC)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758645554 RHRUCJKNKOHSNN-KGLIPLIRSA-N 406.505 0.175 30 20 HCED C#CCN1CCN(C(=O)c2cc(C(=O)N3CCN(CC#C)CC3)cc([N+](=O)[O-])c2)CC1 764126996 NLRMCGBWUAKIFD-UHFFFAOYSA-N 423.473 0.377 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnnn1-c1ccccc1 766344430 XDGMENBCXKFJNB-ZDUSSCGKSA-N 412.431 0.944 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)[C@H]3CCSC3)CC2)o1 767118357 VUJKFIKABYMXGI-AWEZNQCLSA-N 407.496 0.484 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)CC1 767303132 REPFKTUBUURQTL-UHFFFAOYSA-N 403.501 0.915 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 767551929 PZJRTHZRRLGZBY-UHFFFAOYSA-N 422.445 0.959 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1 769591213 YNIJRUAEFZNRID-AWEZNQCLSA-N 401.510 0.434 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(CSC(F)F)o2)c(=O)n(C)c1=O 771897542 FHWDAOLTLITMEC-UHFFFAOYSA-N 408.408 0.445 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 773308167 DXSUZPGNFOPPMW-UHFFFAOYSA-N 423.491 0.310 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)O1 775578621 WNQMRGWTQMYCOW-ZFWWWQNUSA-N 422.507 0.257 30 20 HCED COC(=O)c1cccc(COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1C#N 785661713 VBIFHPVCMZRGLV-MRXNPFEDSA-N 415.446 0.569 30 20 HCED CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787758695 IUFYRJOYKSLZFU-CQSZACIVSA-N 416.482 0.855 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 799287987 VSCYGZSPUPVQCO-AWEZNQCLSA-N 400.439 0.176 30 20 HCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)NC1(C#N)CCCCC1 800234506 NRRSHNUDROCCHS-ZDUSSCGKSA-N 408.480 0.821 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)c1 805363549 GIOIBMGKAQLFBA-CQSZACIVSA-N 413.521 0.094 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)nc1 808564082 DZGCKUGOBSAMHH-QGZVFWFLSA-N 424.436 0.538 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 810786004 WUDRQAUYHSQMDD-UHFFFAOYSA-N 400.478 0.099 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 814544859 ORTIUMPGDYGRRR-XEZPLFJOSA-N 412.464 0.513 30 20 HCED CC(C)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 844150362 FQCMXKHTJNTDCI-KRWDZBQOSA-N 422.551 0.978 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)cc2)c1=O 916199272 FSDLOZPMAYAALP-UHFFFAOYSA-N 401.463 0.821 30 20 HCED COCCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916714363 CDSFOMVJTJSAFQ-QNGOZBTKSA-N 411.484 0.384 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916867520 BYEUWCDPNJMOOC-KRWDZBQOSA-N 423.491 0.573 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 918608394 JFESZRAWVAVPJQ-SAPNQHFASA-N 402.498 0.329 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(NC(N)=O)CC3)CC2)cc1 1137026481 KQPJJJJYXYVHGS-UHFFFAOYSA-N 419.507 0.618 30 20 HCED CCN(CCC#N)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(CC(C)C)c1=O 1248740933 UNSOZJFLDZQWNH-UHFFFAOYSA-N 404.471 0.424 30 20 HCED CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1301854336 VJVIAXNOWFNIIZ-MRXNPFEDSA-N 420.481 0.741 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1309069651 ZQJIBVUGENXROR-CQSZACIVSA-N 413.544 0.149 30 20 HCED Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)C(=O)CN1CCN(S(C)(=O)=O)CC1 1343761690 RMDOYRDWXMGHTL-HNNXBMFYSA-N 402.476 0.945 30 20 HCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)CC1=O 1464298012 IHFPOZXKWUKISY-ZDUSSCGKSA-N 414.915 0.669 30 20 HCED N#Cc1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1 1473680833 AZKOKGGCWRFQDK-KRWDZBQOSA-N 416.503 0.768 30 20 HCED C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1545096736 PTGMTZPVKGULBG-WMZOPIPTSA-N 414.514 0.908 30 20 HCED CCN(CCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1547574382 KOKUIXDVCPJUMR-INIZCTEOSA-N 419.511 0.740 30 20 HCED Cn1c(=O)[nH]c(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)c(C#N)c1=O 1559104711 UMVFDQRJGSWIPX-UHFFFAOYSA-N 408.462 0.047 30 20 HCED CCOC(=O)C1([S@](C)=O)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 1559844158 ZMTMXBZFSMBIIE-SANMLTNESA-N 413.521 0.503 30 20 HCED CCOC(=O)c1csc(N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)n1 1562024922 ILYVTJDMLAJGCF-LBPRGKRZSA-N 401.514 0.921 30 20 HCED 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1839224809 PJCCHISURHPZBZ-DNVCBOLYSA-N 424.523 0.943 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)cc1 1839237387 GRUWWAUQEJGDNV-NRFANRHFSA-N 424.461 0.114 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)c(F)c4)CCO3)C2)CC1 1839304296 TXCCOHWIBPGEIJ-FQEVSTJZSA-N 403.410 0.905 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccn4C)C3)C2)c1 1839451712 KENPDDMMCBEPDW-QFIPXVFZSA-N 423.473 0.984 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839681305 KQCTXLRLCDSHOH-MGPUTAFESA-N 408.451 0.418 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839878480 AKSPTVSLJXNQSA-YCRPNKLZSA-N 414.462 0.153 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cccs3)C2)C1 1840041791 IPVVHEWOXBLBGA-GNAXCBTBSA-N 404.444 0.306 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840101838 SZBDHMRPFCDMAQ-NRFANRHFSA-N 411.462 0.796 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840129516 XHBQPJCVGNMFQW-IERDGZPVSA-N 422.526 0.340 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840158274 JTWCIBXYRKOFRV-KUHUBIRLSA-N 408.524 0.536 30 20 HCED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841415268 CNFCRDYMLZLXMV-KRWDZBQOSA-N 411.458 0.877 30 20 HCED CN1CCN(C2(C(=O)N3CCCC34CN(C(=O)C(C)(C)NCCC#N)C4)CC2)CC1 1845102163 UVDVXWQKERGFSQ-UHFFFAOYSA-N 416.570 0.252 30 20 HCED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197107 UHMDOZDCKCPKHF-CQSZACIVSA-N 417.462 0.535 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979566 CJRYGKJYYJAWRU-KRWDZBQOSA-N 416.434 0.205 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 9855144 RNKXFZLCJATCJL-UHFFFAOYSA-N 415.518 0.790 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)CC2)cc1 52363591 IHROHMVHIWIVEK-UHFFFAOYSA-N 408.480 0.035 30 20 HCED Cc1nn(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)c(=O)c(C#N)c1C 64025975 CXOYPPZSMGQEBB-UHFFFAOYSA-N 420.429 0.106 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 107764558 RTKGGUOBRZWDEJ-KRWDZBQOSA-N 405.476 0.323 30 20 HCED CCN1CCN(C(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 140299836 NKHAAKRIUKXTAI-QGZVFWFLSA-N 419.551 0.417 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/Cc2ccccc2S(=O)(=O)N(C)C)CC1 303793130 ZDOSSMUEDFXAOD-UHFFFAOYSA-N 411.528 0.962 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CCO1 409579868 DSVYGACEIPUEFG-DLBZAZTESA-N 408.480 0.154 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 410119887 FFIDGKVNZISMSP-OAHLLOKOSA-N 414.553 0.907 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1 431443388 FFGXEAYGHPODTE-CRYYWNKWSA-N 422.532 0.830 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)C1=O 437856706 YPQKCPFFFUCTMF-CJNGLKHVSA-N 421.475 0.562 30 20 HCED N#Cc1ncn(CC(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)n1 438673948 NDVNCRKWITUKBV-UHFFFAOYSA-N 410.419 0.330 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 441451421 NFKRTMDLPHCVOC-QGZVFWFLSA-N 416.478 0.541 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)C[C@@H](C)O1 442853157 ITHZHLLYFBAJRW-ZIAGYGMSSA-N 408.480 0.376 30 20 HCED Cc1nccnc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 443137191 SQNQRFTXNONKQT-UHFFFAOYSA-N 417.433 0.525 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)ccc1OC(F)(F)F 443297807 SUBCRGJCAASJKP-LLVKDONJSA-N 421.353 0.325 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCSC 443548177 FFKJEISPTMPFBU-UHFFFAOYSA-N 421.519 0.678 30 20 HCED CCCN(C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460710170 ABZNJOIUFLNELL-QGZVFWFLSA-N 409.494 1.576 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](CN(C)CC2CC2)C1 460711104 WDBQSFMLZCXBMN-SFHVURJKSA-N 421.505 1.576 30 20 HCED N#Cc1ccccc1N1CCCN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463381987 QKTCWKWUROBZMJ-JYBIWHBTSA-N 408.458 0.759 30 20 HCED C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 468276687 AEUWVYGHRJIQJE-CKOOPXGMSA-N 422.485 0.946 30 20 HCED CNS(=O)(=O)c1csc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 471700336 JSIADISDMSIBHW-UHFFFAOYSA-N 408.509 0.532 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@](C)(O)CN3CCOCC3)C2)n1 480505993 QTGHTTITMDOFHX-RXVVDRJESA-N 401.511 0.678 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)ccc1F 481249067 DRNSCLLGXDEIFY-ZDUSSCGKSA-N 401.350 0.921 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H](C)CN2CCN(C)CC2)c(C#N)cn1CCOC 481472601 FDQIERURGBHUGO-HNNXBMFYSA-N 420.514 0.940 30 20 HCED COC(=O)c1ncn(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 487096749 CGZBUULFERUMJV-UHFFFAOYSA-N 411.378 0.533 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccccn3)c2=O)CC1 489010805 VSOUZWANOUKOHA-HNNXBMFYSA-N 424.526 0.680 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489332510 QUGLEYGIGLQNBO-CVEARBPZSA-N 406.508 0.557 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2ncn(-c3ccccc3)n2)n1 490898337 ABXIVNMXPNPNND-UHFFFAOYSA-N 413.401 0.975 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 501894603 PBVBZNIWURMYGC-SFHVURJKSA-N 406.508 0.999 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 502254073 MEBJLADTFJGYHV-RCCFBDPRSA-N 414.462 0.086 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(F)(F)F 507071157 SWZLTJOSLZSAHM-LLVKDONJSA-N 410.349 0.574 30 20 HCED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 507779351 ULZLXZVIFKHZPP-QAPCUYQASA-N 423.477 0.458 30 20 HCED Cn1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c(=O)n(C)c1=O 538497033 VOCKDRHHRKKEKX-UHFFFAOYSA-N 417.472 0.804 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1=O 544725191 AVULCRQFAYKRPC-ZDUSSCGKSA-N 401.510 0.344 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(N3C[C@@H](C(=O)O)CC3=O)CC2)c1 547929998 JPMYCWRKKJRWJD-ZDUSSCGKSA-N 409.439 0.925 30 20 HCED C=C(C)Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 549265461 BABYRNQINKPFPU-UHFFFAOYSA-N 404.515 0.659 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(C(C)C)CC3)CC2)c1C#N 550375636 IGUXVVASXOZPTJ-UHFFFAOYSA-N 401.515 0.238 30 20 HCED CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)Cc1ccccc1 550411851 FZIVVOGSMMVTOU-FQEVSTJZSA-N 420.517 0.891 30 20 HCED C[C@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(N)=O 551353416 JNOYMIGZQMVEEQ-ACJLOTCBSA-N 417.429 0.851 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)C(C)C 556205623 GGNSEBKICBVQJR-GOSISDBHSA-N 416.526 0.410 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1 560225214 WTEPYNAFHNPNSL-UHFFFAOYSA-N 423.429 0.249 30 20 HCED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCc2ccccc2C1 560866230 KMCKHCWJFZTBFR-OAHLLOKOSA-N 423.521 0.818 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1 561930965 KNAAXFXPHDCFGF-MRXNPFEDSA-N 418.523 0.741 30 20 HCED C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 563405473 BLVLTECRICOXGT-UHFFFAOYSA-N 424.461 0.787 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCO[C@@H]3CCOC3)C2=O)cc1 579165368 UYFBHQDJQPNACV-QZTJIDSGSA-N 414.462 0.482 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1 580489980 HDGOKMQREMAYCD-UHFFFAOYSA-N 423.516 0.791 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)c2)cc1 588741278 SSPUDSDKFHIKJW-UHFFFAOYSA-N 419.507 0.914 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 594742421 BQRBCLVXBZCIJH-GASCZTMLSA-N 408.524 0.841 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC)c2=O)c1 603995235 SKRLGIUCFTXEHC-UHFFFAOYSA-N 415.515 0.984 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610384539 IXQDUGQHOZHIEY-MLGOLLRUSA-N 410.434 0.939 30 20 HCED CCS(=O)(=O)NC1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725768578 OHOOQQNHEPRZET-IBGZPJMESA-N 419.507 0.686 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)CC1 729256782 HWAJREABKYSCDF-UHFFFAOYSA-N 421.457 0.426 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)COc2cccc(C#N)c2)c1 729418263 UIHPCQXOJWTWDO-UHFFFAOYSA-N 402.432 0.600 30 20 HCED O=C(O)C(F)(F)Oc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1 730727447 SNEKZEOGDKOPRS-UHFFFAOYSA-N 402.423 0.873 30 20 HCED CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 735588895 OEVQLNJPBMKBDP-OQKWZONESA-N 423.539 0.894 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C)c2=O)cn1 743727294 IPLOLXYBYVMZEN-UHFFFAOYSA-N 412.446 0.815 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745444539 SMMNGFZVVUUXBU-PSAQNDRJSA-N 405.451 0.523 30 20 HCED CN(C(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1(C#N)CCCCC1 745482205 NICMPNTYULLKNK-OMNBBPDLSA-N 403.435 0.377 30 20 HCED C[C@@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)NC1(C#N)CCCCC1 746942549 NGQVYFAMBAFSSM-GFCCVEGCSA-N 413.434 0.520 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 748228747 UYRAEUWWDOFBBP-UHFFFAOYSA-N 416.459 0.717 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)NCc1ccccc1 748284041 LDWGMSQOAYYLOB-UHFFFAOYSA-N 414.487 0.938 30 20 HCED Cc1cc(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)nn1-c1cccc(C#N)c1 751606200 PKFJABZCWYTTTN-UHFFFAOYSA-N 419.401 0.683 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)[C@H](C#N)C1 755543360 BODIYMZRNQCIJJ-GHMZBOCLSA-N 412.397 0.962 30 20 HCED C#CCOCCC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 756486558 DZGHWZUISWAQFS-UHFFFAOYSA-N 400.435 0.599 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2CC)c1=O 758049266 FDOSAYIXZNIVJB-UHFFFAOYSA-N 407.455 0.172 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CC)c2)c1=O 758060087 YWXVXMLNKQJXFL-UHFFFAOYSA-N 407.455 0.172 30 20 HCED COCCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758751310 JGKDDQCYMJSZQK-HZPDHXFCSA-N 423.514 0.930 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 763423771 LNPWHWZPZFXQDW-AWEZNQCLSA-N 409.406 0.439 30 20 HCED C#CCNC(=O)CN1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 763674339 KCAGXAMSLQNBCG-QGZVFWFLSA-N 419.323 0.921 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 765424261 FFKKEOJHGSUVJC-INIZCTEOSA-N 412.429 0.514 30 20 HCED C[C@@H](CNC(=O)c1cccnc1)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 766398378 QNLLRXITXPKAOE-KBPBESRZSA-N 416.459 0.982 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCCC[C@H]1S(C)(=O)=O)c1cc[nH]n1 772303360 PCPMDWXNLCGJAI-UONOGXRCSA-N 414.484 0.508 30 20 HCED CCOCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 772351562 MRUQYMOGLUIHNJ-CAPFRKAQSA-N 410.496 0.933 30 20 HCED COc1cccc(C[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)n2nnnc2C)c1 776144765 UWOZGUNAECDZES-HNNXBMFYSA-N 406.468 0.770 30 20 HCED 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Cn1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1836062148 HUDLZICKCANBFD-QFIPXVFZSA-N 423.473 0.604 30 20 HCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1)n1cnnn1 1836826420 UYXGWEWBRGBFSM-HNNXBMFYSA-N 400.483 0.646 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)CN)CC2)CC1 1837840169 INNPOVYXAMXGPB-UHFFFAOYSA-N 400.479 0.894 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838094693 SCHPGYBMGIUCCM-DYESRHJHSA-N 418.494 0.428 30 20 HCED COc1ccc2[nH]cc(C(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)c2n1 1838486696 PDNSUUWEZRAEHS-FQEVSTJZSA-N 413.434 0.555 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838536214 MYPZBDBLRXKTCM-OAQYLSRUSA-N 401.463 0.259 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1ccnc1 1838732959 GPKCDXVYFQSEBB-QRWLVFNGSA-N 412.450 0.414 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838816720 OZJLTXQLMLMOEV-UWJYYQICSA-N 403.479 0.442 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1839228287 YNYAZFAGZYJLAJ-GPMSIDNRSA-N 422.486 0.096 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c1 1839420334 BTOBKDWBUHIIJJ-HXUWFJFHSA-N 413.409 0.804 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840294087 MWNRVRCYDQYLPG-OAQYLSRUSA-N 416.478 0.749 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CCO2)C1 1840609620 NNNQWMRWYUZJKV-LDDOYCOJSA-N 400.422 0.547 30 20 HCED CCC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820132 AMHIDFWHQYLFAF-OAQYLSRUSA-N 415.446 0.373 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1841300719 RLUNNTFIBBSMGY-HNNXBMFYSA-N 417.466 0.589 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1841598733 YCJCRGCKQYSVCL-CYBMUJFWSA-N 401.492 0.883 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841969857 XVANFUXAFUSHQF-INIZCTEOSA-N 400.479 0.588 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c(O)n1 1842297730 KKVRERGYRCQSES-RDJZCZTQSA-N 400.479 0.446 30 20 HCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842620487 CGZQEVKEVUTYQC-UHFFFAOYSA-N 424.498 0.661 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1)C2 1844286702 BTXDGADEBJKYAA-GOSISDBHSA-N 413.430 0.870 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1844388096 UTYRIWYFBMQKCL-QGZVFWFLSA-N 414.462 0.292 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845203127 ZWBLPZJENLNULK-KRWDZBQOSA-N 418.425 0.508 30 20 HCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197456 PFLINVYLEPGTTL-UHFFFAOYSA-N 409.414 0.237 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846568322 CULOKXKPBQZJGJ-SOQIOHJVSA-N 408.484 0.629 30 20 HCED CCCn1c(N)c(N(CCOC)C(=O)COc2ccccc2C#N)c(=O)[nH]c1=O 14911854 GFQQWBJZCMOJLQ-UHFFFAOYSA-N 401.423 0.459 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 19111436 KYAHRVFUMAFCRH-UHFFFAOYSA-N 424.508 0.009 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1 54984084 UQTZPBHPJVNKNV-UHFFFAOYSA-N 410.544 0.381 30 20 HCED C#CCN(Cc1ccc(F)cc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 109329983 VICRDUNRBUBDLK-MRXNPFEDSA-N 405.451 0.953 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 109475119 XBROWFYLQAAAJA-AWEZNQCLSA-N 411.503 0.351 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(O)(C(F)F)CC2)n1 427413619 MSNIALNECFDWJX-UHFFFAOYSA-N 407.352 1.440 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cc1 433664090 MGIHDYNZTODVFN-ZDUSSCGKSA-N 408.480 0.826 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)ccc21 435214007 AFMXLEDHUXCAOT-MRXNPFEDSA-N 411.462 0.993 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 437342187 GHHFEJHRHRQPLV-AWEZNQCLSA-N 409.468 0.212 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)n1 439042312 SXLQULXAYDLSPA-KRWDZBQOSA-N 408.462 1.546 30 20 HCED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 443378742 VXSFLCAUAXSDDE-AWEZNQCLSA-N 407.414 0.891 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)cc1 443846272 VDPTVNMQOPIRNX-KBPBESRZSA-N 413.496 0.022 30 20 HCED C=CCNC(=O)Cc1noc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)n1 445345138 SGPYHPJVBPPCHS-UHFFFAOYSA-N 422.463 0.611 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)[C@H]2CCCO2)cc1 448389560 MFHMERJNSXZCBX-HZPDHXFCSA-N 411.480 0.088 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCCOc1ccc(C#N)cc1OC 460487328 FJKGVWZDOGUYAR-AWEZNQCLSA-N 410.448 0.524 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)cn1 460805565 SXDZJCORRXGHIE-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 461322469 XYCHUAXYVDXEPX-UHFFFAOYSA-N 402.480 1.448 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1OCC(=O)Nc1cccnc1 467585740 CYSJQXJTSWFQFS-UHFFFAOYSA-N 411.418 0.456 30 20 HCED CN(Cc1ncnn1CC(F)F)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 470575173 USABSGBHBYBBFE-UHFFFAOYSA-N 412.422 0.694 30 20 HCED COc1cccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 478778414 MFBYAAFEPCHTQA-UHFFFAOYSA-N 416.459 0.391 30 20 HCED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1=O 484417769 BVYAYBNRIRETGY-AWEZNQCLSA-N 412.454 0.802 30 20 HCED COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 491447078 NXIRZLYGHBWURF-QGZVFWFLSA-N 411.466 0.364 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 493923453 BOOZXZBTRJOJJM-INIZCTEOSA-N 400.479 0.722 30 20 HCED CC1=CCN(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 498852462 GIGQPNVGLAXMET-LJQANCHMSA-N 409.490 0.544 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 502285150 TYOLTYLTZYKYER-PMACEKPBSA-N 414.506 0.903 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c2)c1 503296015 NZZDFTDFFUSOEJ-UHFFFAOYSA-N 421.413 0.744 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 504096042 NFGUUVDKWLMQAI-ZFWWWQNUSA-N 413.521 0.651 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)n1 508333140 QFVFGXXOFKKCLJ-UHFFFAOYSA-N 409.450 0.921 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 509206291 WBTCFKFJYCWBRH-UONOGXRCSA-N 406.464 0.462 30 20 HCED CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509874686 UWASJSAITCFRRD-HUUCEWRRSA-N 421.523 0.877 30 20 HCED CCC[C@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 512243256 JVKNLRZKWHWDDS-FQEVSTJZSA-N 420.535 0.940 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@H](C)COC)n(C2CC2)c1=O 512789945 CXWBCUUBJXLOBV-GFCCVEGCSA-N 401.492 0.115 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)ccc1Br 516097843 BOOJULWRWRTMLB-UHFFFAOYSA-N 418.211 0.033 30 20 HCED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 517399850 CVWIMUVPYPOJAW-UHFFFAOYSA-N 414.510 0.834 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 517807728 YXUYEYYJVJUBOJ-GOSISDBHSA-N 405.524 0.809 30 20 HCED COCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCS(=O)(=O)C1 524679800 YEHYZXRNPPLBCG-MRXNPFEDSA-N 403.464 0.602 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1C#N 525892599 FEFQTCVIBKIKQI-LSDHHAIUSA-N 400.483 0.813 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539159734 HBHBPUZKCXGNNG-UHFFFAOYSA-N 417.514 0.461 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 541895550 MYVLKGFQHSITLV-UHFFFAOYSA-N 419.511 0.888 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cc(F)cc(F)c3)CC2)c1C#N 550398297 UHNCKEOKCOXPDR-UHFFFAOYSA-N 402.405 0.843 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 554768405 MHMWOEWOMDMHCQ-UHFFFAOYSA-N 418.431 0.478 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@H](CN3CCOCC3)C2)n1 555030958 WHAITMVMQXXQSA-OAHLLOKOSA-N 409.450 0.258 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 558495802 ANMPXFGYVSNKHS-GDBMZVCRSA-N 401.398 1.132 30 20 HCED CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OCCO 560596607 XAZJZECNWHBFCN-UHFFFAOYSA-N 409.508 0.863 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n1 561937426 MWFIDQCTQUGILC-UHFFFAOYSA-N 416.873 0.769 30 20 HCED CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 585761031 RYIGVHDPNUDZOB-LRDDRELGSA-N 417.441 1.096 30 20 HCED COC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCCO1 587659471 OXWWHLMGOYQHGQ-SJORKVTESA-N 401.467 0.348 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1cccc(C#N)c1 587739787 FHFWNVBGDRCFKZ-AWEZNQCLSA-N 406.446 0.578 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 588279346 HQYPYLWGPZOISH-AWEZNQCLSA-N 409.450 0.989 30 20 HCED Cc1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)no1 589417386 WCTURKIUTFITRM-CQSZACIVSA-N 408.378 0.369 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CN3CCCC3)CC2)cc1 590371705 AZNPBAGTIDMFDL-GOSISDBHSA-N 420.535 0.532 30 20 HCED N#Cc1ccc([C@H](N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C(N)=O)cc1 609676779 UQFXHDXAJHXSBE-NQIIRXRSSA-N 421.505 0.970 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cncn3)CC2)c(F)c1 609944292 QRQVFKIYENMDGG-UHFFFAOYSA-N 420.408 0.960 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCO1 609944781 WNEGLJRRDJVYBU-JKSUJKDBSA-N 401.423 0.677 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cn2)C[C@@H](C)O1 612269596 JXVYJEGWKSTGOP-STXHMFSFSA-N 416.482 0.610 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 613156677 CTALBJMBLWFKEP-DJJJIMSYSA-N 408.422 0.981 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 615631241 KLFOWOVBDUYYSR-FQEVSTJZSA-N 401.442 0.787 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 728533665 OMBIHKISNYYDBO-UHFFFAOYSA-N 420.535 0.128 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1=O 733993694 ASYQMUAXKOCDSJ-IBGZPJMESA-N 422.489 0.211 30 20 HCED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCCNc1ncccc1C#N 734073328 GHCGHMVPOXGMRZ-UHFFFAOYSA-N 401.448 0.832 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCC3(O)CCS(=O)(=O)CC3)ccc2c1=O 743757095 XSEZWIOTSKNLAN-UHFFFAOYSA-N 423.516 0.541 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1Cl 744114506 RVNBRLUQDAFDOD-UHFFFAOYSA-N 410.839 0.785 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@H](C)C(=O)NC(=O)NC 744594659 UFYOEDMTMVBUEZ-ODXCJYRJSA-N 414.418 0.539 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 744777238 QRNZSNPOQOTISL-UHFFFAOYSA-N 408.484 0.601 30 20 HCED Cn1c(=O)c2cc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)cnc2n(C)c1=O 746940791 BWKPSYULMRMHEV-UHFFFAOYSA-N 418.369 0.911 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748436575 YLBDRYYBDDMYCQ-CYBMUJFWSA-N 402.451 0.911 30 20 HCED 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C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C)CCC3)C2)C1 1829760062 PJKXXJFWPWDVLL-RMUOZIPVSA-N 405.495 0.491 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1831414568 ZJTYZCBASCOLQS-NQIIRXRSSA-N 420.510 0.883 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1831421742 QOFMYBIRADEBBQ-JXFKEZNVSA-N 406.483 0.564 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccccc3)C2)C1 1831421920 WJGZFWJVNKARFU-VGOFRKELSA-N 416.474 0.917 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1831483992 ULJPXAWRLQMCRL-GJYPPUQNSA-N 414.568 0.948 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831881404 OJGJYZXVGWJMSM-OXJNMPFZSA-N 423.535 0.410 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C(C)=O)[nH]n4)CCO3)C2)C1 1833818241 KPJHPSAECSQUKG-FQEVSTJZSA-N 402.451 0.649 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2)C(F)(F)F 1833836769 UKKXNHHUJHLHDA-INIZCTEOSA-N 416.356 0.371 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1835097238 ZDEKIRVCJWTPQM-QFIPXVFZSA-N 406.442 0.598 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1835344835 YIKBPVBEZHVXES-XLKWYTADSA-N 403.483 0.218 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835887090 IRBPWCVYDWJBGO-FXAWDEMLSA-N 412.531 0.632 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836136445 XDDUVGKOJXCSOA-XLIONFOSSA-N 403.483 0.503 30 20 HCED Cc1ccc(O)c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1836247879 IBCREGIZSVZNIV-UHFFFAOYSA-N 413.474 0.974 30 20 HCED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1837070633 NSXNRUVBONNLQA-UHFFFAOYSA-N 418.581 0.949 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1837395391 YYAVTNMROIMMIZ-UZLBHIALSA-N 406.483 0.063 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837399154 NPIILDKCHNPNGT-DYESRHJHSA-N 422.478 0.415 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCC1 1837446480 CBLKSZYGKKCPMB-GWJNGDFSSA-N 417.510 0.608 30 20 HCED CCOCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526172 BUSGYNBBQGLLHS-ZSJUENAVSA-N 413.471 0.008 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)CC2)CCC1 1837739380 WXQXWZCKTGSBCU-KRWDZBQOSA-N 402.495 0.957 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC4)C3)C2)c(C#N)c1 1839133540 VHVYHEULIJBTCT-QFIPXVFZSA-N 413.474 0.976 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1839227452 FMPDPDCNWCZNMA-NPGRCNIMSA-N 423.510 0.811 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839884654 ANDKYRBYCOQRTJ-NRFANRHFSA-N 409.527 0.961 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839887119 VPJKSLLDKNYHNX-KRWDZBQOSA-N 417.409 0.106 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C4CCC(O)CC4)CCO3)C2)CCC1 1840276448 NWAGZUGGBQXNSX-BPZDKFOGSA-N 405.495 0.688 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)ON=C(C)C)C2 1841582197 MUWBFJCAIFQCDY-ZIAGYGMSSA-N 402.517 0.319 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 1843925835 NBIBPJJNCANVQO-GOSISDBHSA-N 411.458 0.179 30 20 HCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)cc(C(F)(F)F)c1 1845513139 CVJIWEWAKLUBDW-UHFFFAOYSA-N 408.384 0.877 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 52077441 TYTBBECRMGBCAA-MRXNPFEDSA-N 403.508 0.873 30 20 HCED CN(CCC#N)S(=O)(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 56123773 COZZLRVGRQMAPX-UHFFFAOYSA-N 409.512 0.527 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 429919845 FIOYHYSUSQKTJF-UHFFFAOYSA-N 411.484 0.233 30 20 HCED CN(C)C(=O)C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)c2ccc(Cl)cc21 441853487 HHAVUABNKDTRBM-TZMCWYRMSA-N 404.854 0.999 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)c1 441875806 RIDFEEXWZRAEDD-HZPDHXFCSA-N 424.475 0.718 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 462087639 AKJZWMOGQAPWQQ-CQSZACIVSA-N 403.468 0.993 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 464947960 CWWVKKGBTFFHHA-CQSZACIVSA-N 409.516 0.240 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 468646408 DKVKUEBKPRZPHB-HNNXBMFYSA-N 417.491 0.828 30 20 HCED CO[C@]1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 470933471 SVRLDYBKRYURCN-HXUWFJFHSA-N 420.535 0.892 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)CC2 473865256 PYPXNOVGUXSEES-DLBZAZTESA-N 408.462 0.918 30 20 HCED Cn1ncc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1C#N 474899273 ZXAAQSZTIWCHRR-AWEZNQCLSA-N 403.464 0.679 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc1[N+](=O)[O-] 478981204 ILXMAEBANPDMND-UHFFFAOYSA-N 419.419 0.950 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)no1 481079681 JPMRGDLXVQCPDH-UHFFFAOYSA-N 414.397 0.715 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 481252839 PBIHARIPUOBEJV-BBRMVZONSA-N 422.532 0.749 30 20 HCED C=C[C@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 482808834 BFOOYZTZHNKXBY-HNNXBMFYSA-N 409.508 0.999 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OCCO)cc1 483126691 YQKPTUYEXDRMEK-AWEZNQCLSA-N 403.460 0.913 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486630392 OXNAMLFEARDNTB-MRXNPFEDSA-N 417.447 0.007 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 490209021 YXOYUYOUTRYARL-GFCCVEGCSA-N 403.870 0.961 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1=O 501031609 BVPFOAYTPFCWOI-SFHVURJKSA-N 415.494 0.795 30 20 HCED COc1cc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1OCC(N)=O 505822625 AYVNYWDBJOOEHI-UHFFFAOYSA-N 424.461 0.858 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCCc3ccccc32)cc1 507318175 LQBWMYKKGMODKV-UHFFFAOYSA-N 412.471 0.932 30 20 HCED Cc1cccc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c1C 510191491 QQWHFPDCUIQTDA-HNNXBMFYSA-N 420.491 0.905 30 20 HCED CS(=O)(=O)Cc1ccccc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 516821645 MPUSOGIHUBGDBX-UHFFFAOYSA-N 421.500 0.698 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 520732447 HXMGODWUITYPGH-GOSISDBHSA-N 419.551 0.731 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 524285786 RAMFTMFONSHPCZ-UHFFFAOYSA-N 407.430 0.793 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541074797 ISRBBBFMUCOBRJ-UHFFFAOYSA-N 422.488 0.555 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2n[nH]c(O)n2)CC1 548197052 VLAHWROXEKCGII-UHFFFAOYSA-N 408.465 0.007 30 20 HCED C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551077343 PUYVXUONUJVRNJ-LPHOPBHVSA-N 411.506 0.766 30 20 HCED CN(CC(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C)S(=O)(=O)c1ccc(C#N)cc1 557049201 IGHFXIFQCFATRV-HNAYVOBHSA-N 417.491 0.806 30 20 HCED Cc1c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 557475087 YDNFESMEICTTKE-AWEZNQCLSA-N 420.429 0.501 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 562795417 LGPJABSIUIZFLT-INIZCTEOSA-N 407.540 0.226 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2ccc3c(c2)OCO3)CC1 563508964 MGJLCJGRTGBCTK-UHFFFAOYSA-N 407.430 0.689 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 570084100 AFOGXNXCTSDQAB-INIZCTEOSA-N 418.494 0.352 30 20 HCED Cc1noc([C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C2CCOCC2)n1 571097716 VHTLMOXRXLTZGG-QGZVFWFLSA-N 419.463 0.812 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(N3CCSCC3)CCCC2)C1=O 576604155 NRGNIXBGBSJXOW-MRXNPFEDSA-N 408.568 0.710 30 20 HCED CCCCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 579627020 JYYPDSOACAHGLM-OAHLLOKOSA-N 413.521 0.652 30 20 HCED COC(=O)[C@H](CNC(=O)Cn1cnc(C#N)n1)Oc1ccc(Br)cc1 586841611 KZOMXEHHWHSMCR-LBPRGKRZSA-N 408.212 0.649 30 20 HCED CCn1ncnc1CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 588798817 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CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731861694 KHYHKPKDZTXXBU-ZPHPHTNESA-N 420.491 0.973 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(=O)NC2CC2)C1=O 735225065 GKJGFZBIVFVMFN-CQSZACIVSA-N 404.448 0.762 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 743901872 RAYQAIYHJISQPV-UHFFFAOYSA-N 411.455 0.564 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 746434263 HWKMFAZBOGUFMR-OCCSQVGLSA-N 406.443 0.486 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2CN2CCOCC2)CC1 747993995 WEVHDTGFDIIJKJ-UHFFFAOYSA-N 412.490 0.445 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc3ncccn23)CC1 755730421 KVEIVAMGRKSHQO-UHFFFAOYSA-N 400.468 0.506 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(Cl)c2)c1=O 758050844 IYTXTGJKIWCHSD-UHFFFAOYSA-N 401.875 0.462 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cncs2)c1=O 758067024 MCQGHZQFGIMHPJ-UHFFFAOYSA-N 402.526 0.078 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)c1 758226806 PKWYJFZFSREHOB-FJGOLAJPSA-N 420.495 0.741 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C(N)=O)no1 758346856 JWCRIDVBRVZVDT-ZDUSSCGKSA-N 419.463 0.687 30 20 HCED CC1(C)C/C(=C/c2cn(CC(=O)O)nn2)C(=O)/C(=C\c2cn(CC(=O)O)nn2)C1 759083769 LDTKPYLOHHWDRI-LPPGRIHKSA-N 400.395 0.895 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3nc(CC)cs3)c2)CC1 762982492 XHVWFCDZFHHWAW-UHFFFAOYSA-N 400.508 0.789 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccccc3)c2COC)CC1 767969135 RMFYQFMAKFZBLW-UHFFFAOYSA-N 409.490 0.916 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cscc2Cl)c1=O 771915673 IIMJQILSRCDOJK-UHFFFAOYSA-N 414.921 0.201 30 20 HCED C[C@@H](O)c1ncc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 773018599 MSUZTKNYVVPCIJ-GFCCVEGCSA-N 410.525 0.974 30 20 HCED O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCC#CCO)cc1 773550014 GVURLVRIESQIDP-MRXNPFEDSA-N 414.487 0.835 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCCN(CC)CC)c1)[C@@H]1CCCO1 773792966 JXIKMGBGDOGFAD-MOPGFXCFSA-N 414.506 0.994 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)[C@@H]1CCCO1 773802325 ZSTNYEXWSVVRTH-ZFWWWQNUSA-N 409.464 0.692 30 20 HCED COC(=O)c1cncc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 788665300 QJZDVOWIGXNDKQ-GXTWGEPZSA-N 410.452 0.906 30 20 HCED COc1cccc(/C=C(/C(=O)NS(=O)(=O)CC2(C#N)CC2)n2nnnc2C)c1 793204193 FJXHPJPCVYNZGR-DHDCSXOGSA-N 402.436 0.738 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(CC)CC2)c1 794519082 ZLDCHNOGZNKIJF-OAHLLOKOSA-N 409.508 0.860 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 794613394 ROHAFHYXKTVYAT-UHFFFAOYSA-N 422.445 0.349 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 799285390 DUVCWRWWKZQPES-GOSISDBHSA-N 406.446 0.946 30 20 HCED CC[C@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 803785372 YQBMNSRVQQZHLU-QGZVFWFLSA-N 412.468 0.607 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812396676 XLAAURQPAIRHOO-ZBFHGGJFSA-N 404.496 0.342 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN(C)C(=O)[C@H](C)n1cccn1 816022894 KHMFOEKXFNNVCV-LBPRGKRZSA-N 405.436 0.288 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCNC(C)=O)C1=O 914555856 NCIIJWYPUCRZJR-OAHLLOKOSA-N 405.480 0.849 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 915621615 NDONKFZISDXPDI-SFHVURJKSA-N 405.520 0.971 30 20 HCED N#Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc1 1320777229 ODLNKJJELBUMDD-UHFFFAOYSA-N 400.416 0.431 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1359151271 QGEZQZNYTLXZCX-QWHCGFSZSA-N 416.891 0.092 30 20 HCED CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1454610802 XXBFDEJNXLOEJB-QGZVFWFLSA-N 415.469 0.721 30 20 HCED CNS(=O)(=O)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1473516949 VWYJPOUSYSFOKY-CQSZACIVSA-N 400.464 0.305 30 20 HCED N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(=O)NCC(F)F)c1 1505313984 NYQIIKIDTXEJBL-ZDUSSCGKSA-N 403.393 0.510 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N 1541120040 VFMBRYSJYBPHLY-IRXDYDNUSA-N 403.531 0.965 30 20 HCED COC(=O)[C@H](COC1CCC1)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1596030452 ZMCNIVOMXXIJCS-GUYCJALGSA-N 423.491 0.794 30 20 HCED CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1618271636 UKFSELNYUDIUMX-KGLIPLIRSA-N 419.486 0.825 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@H](O)c3ccnn3C)CC2)CC1 1620444628 IUXDSUPXKVDTEP-CTNGQTDRSA-N 402.543 0.858 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1F)CC(=O)NCc1ccc(C#N)cc1 1646130082 WYTNQKUJTBGDFE-UHFFFAOYSA-N 420.466 0.972 30 20 HCED CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)N1CCOCC1 1694295792 MSIFASNAQNLPSO-AWEZNQCLSA-N 405.503 0.651 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)CCO1 1770749476 YYOHIMFLVBWMPB-CABCVRRESA-N 401.471 0.361 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccncn2)C1 1778153233 SDYXFNIEUJJBJQ-FPSSLUBQSA-N 413.478 0.463 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778850181 OQOPJVTXTPSAMS-NNMXDRDESA-N 406.571 0.960 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1778880031 VYDBNROIACANKY-SIFCLUCFSA-N 404.467 0.183 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1778974502 QQVHXJZOIAIVKH-AUSJPIAWSA-N 412.483 0.951 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2)C1 1779075151 HABKXWBMEVMAGH-WIYYLYMNSA-N 422.478 0.505 30 20 HCED Cn1cc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cn1 1779137480 OFNBXRAEAMGOAI-XZEIMLRBSA-N 413.478 0.895 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)C2)C1 1782737083 UFCBNCKUDJMVLK-ROYATCLZSA-N 404.536 0.973 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1783170151 HIBPGTUIYJDXIE-WOIUINJBSA-N 404.555 0.550 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncc(F)c3)C[C@@H]21 1783530160 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CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786362543 WVBFFQJHMBPJJC-JONQDZQNSA-N 424.498 0.155 30 20 HCED N#CCC(=O)NC1(c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)CCC1 1786688389 QVSGJCXKTNZRJA-UHFFFAOYSA-N 404.492 0.765 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)noc3N)[C@H]2C1 1786837924 VLPCPJWCKVPUAY-KKUMJFAQSA-N 420.466 0.668 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnc3)C[C@@H]21 1788570447 SQYJKSLGRINZAD-KFGODFMUSA-N 404.511 0.997 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)n1 1788730471 FWFMWWJQIDRUSI-JYJNAYRXSA-N 401.467 0.180 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(O)c3)C[C@@H]21 1791077883 KVTNGYCJRFLRAY-SZMVWBNQSA-N 400.431 0.393 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)ccc(O)c3F)C[C@@H]21 1791078203 OGWMSSMBHCWLEE-MJVIPROJSA-N 408.357 0.352 30 20 HCED COc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791079326 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C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840939527 IRHGDHPBYNHAJD-XMSQKQJNSA-N 423.554 0.502 30 20 HCED CN[C@H](CC(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2)C(=O)O 1842952855 ZGJXCKHHYGEOIS-QGZVFWFLSA-N 414.462 0.375 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)n2)C3)ccc1F 1845202692 AESPZULOEHBOLA-UHFFFAOYSA-N 411.393 0.958 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2sccn12 1847805229 RDTDFMPOFAJNSV-RDBSUJKOSA-N 400.460 0.610 30 20 HCED CCS(=O)(=O)NCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 409516743 YGPIFMPXLQVSAX-UHFFFAOYSA-N 407.496 0.858 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 410140976 DBSWNAWTUSOMLI-WMZOPIPTSA-N 405.524 0.746 30 20 HCED CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc(C#N)n1 427048436 FOJMWFJPNQTLJS-UHFFFAOYSA-N 419.467 0.241 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 439918001 BDMHYGUWSDVIAG-GOSISDBHSA-N 405.524 0.687 30 20 HCED CCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441805702 YERHKAFHEKCFBW-GFCCVEGCSA-N 410.356 1.158 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 443744131 KUNJBAJKVPAVLG-UHFFFAOYSA-N 402.432 0.954 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2c(F)cccc2Cl)C1=O 444493479 COMWTWSTFSIINX-LLVKDONJSA-N 411.817 0.723 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)nc1 446085685 ZWHBJERVIWSAIZ-PBWTXFEYSA-N 420.473 0.592 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 446699435 BKTONSOPQPTAKW-UHFFFAOYSA-N 416.463 1.453 30 20 HCED CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460594241 AWHYEGWULJCDSY-UHFFFAOYSA-N 411.466 1.151 30 20 HCED C[C@@H]1CN(C2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CCO1 460598653 NDZOIQBRACTQPG-OAHLLOKOSA-N 423.477 0.789 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)cn1 460663009 ILOAKQOYGGQGCT-UHFFFAOYSA-N 421.396 0.355 30 20 HCED Cc1nn(C)c(N2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1C#N 472154281 ITIOMXDZCVWLKZ-UHFFFAOYSA-N 423.525 0.251 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478040567 MLLOFRGQSXBPBT-QGZVFWFLSA-N 420.535 0.197 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 482291288 ZLKXTXHDKODUOO-GJZGRUSLSA-N 409.464 0.590 30 20 HCED CC1(C#N)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 482641418 JUMMSRRUECKIIN-UHFFFAOYSA-N 422.482 0.811 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2)nc1 489558334 WIULVLAKZUXEJU-BGJMDTOESA-N 421.457 0.923 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 490209022 YXOYUYOUTRYARL-LBPRGKRZSA-N 403.870 0.961 30 20 HCED C=CCN1CC[C@@H](N(C)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 500018102 KTVYWGSJAHZVRJ-QGZVFWFLSA-N 408.524 0.102 30 20 HCED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508740763 RUAIKZMTTLHHMV-UHFFFAOYSA-N 412.498 0.253 30 20 HCED C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)S1(=O)=O 518445667 UQZTVNQOIORJOW-OWCLPIDISA-N 410.565 0.964 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 519289719 ASVXZIQRHIZJMN-UHFFFAOYSA-N 400.483 0.113 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)N(CCC#N)CCCN(C)C)c2ccccc2O1 525875919 MOEDGAVXUZKWRX-QGZVFWFLSA-N 402.451 0.648 30 20 HCED CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 526132058 NEZZBBSKKSKTAW-UHFFFAOYSA-N 415.473 0.773 30 20 HCED COc1ccc(C(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC 531800851 HWMZATKPSFHVOD-CQSZACIVSA-N 424.461 0.833 30 20 HCED NS(=O)(=O)C1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 536385752 HPQNLGNXRWRSCX-UHFFFAOYSA-N 403.426 0.926 30 20 HCED COC(=O)c1ccc(-c2nnn(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)n2)cc1 537070619 KYJGOTXXAWHBMZ-KRWDZBQOSA-N 411.466 0.819 30 20 HCED Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1S(=O)(=O)NCC#N 537129432 UOOJGPQUODPGHO-HUUCEWRRSA-N 408.480 0.163 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)N1CCN(C)CC1 538071750 FZBFODFUUKYDDQ-MRXNPFEDSA-N 403.531 0.836 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 540102696 DYICWOPNAIQCCZ-APYUEPQZSA-N 411.418 0.719 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCCC#N)cc2)C[C@@H](C)O1 541385233 AFDZFVYVMKIMCK-ZIAGYGMSSA-N 408.480 0.843 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 557474501 QHSLBBBSXFMYII-CYBMUJFWSA-N 402.432 0.903 30 20 HCED CN1CCN(c2cc(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)ccn2)CC1 557840736 OMLGEPXOKOMSHD-UHFFFAOYSA-N 411.514 0.785 30 20 HCED CN(CCc1nccs1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 570074326 YABFMRPZHHWBNG-MRXNPFEDSA-N 411.487 0.933 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 571801449 MUXVRMCTPQBNGV-WCZJQEMASA-N 403.483 0.436 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1 578651193 IEOVUMDFQGCUNQ-AWEZNQCLSA-N 405.480 0.681 30 20 HCED C=CCOC[C@H]1NC(=O)N(c2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1=O 579144266 QYGGXZGBXRYYGA-QGZVFWFLSA-N 422.507 0.640 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 580221878 SDDSINGVJFEWBR-WBVHZDCISA-N 417.485 0.619 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)n1 580605009 FTBOTCLUWLBPQI-CQSZACIVSA-N 417.433 0.653 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 581480670 KQABEPOWVLDZOL-CQSZACIVSA-N 420.491 0.826 30 20 HCED N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 584850521 WXWRRQDTKXMNAS-UHFFFAOYSA-N 411.443 0.857 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 585760294 CASNGPVKCZLWAC-SFHVURJKSA-N 419.441 0.858 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)C2=O)cc1 588869846 OQCYLPSGDIIFNU-OALUTQOASA-N 420.473 0.836 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1 589295228 HELGXMZSHOTEMQ-QGZVFWFLSA-N 406.508 0.550 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609836148 OLLVJESBFARZTL-MRXNPFEDSA-N 415.494 0.258 30 20 HCED N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 611533127 FVGGCSKAXHDEJB-ICSRJNTNSA-N 423.535 0.619 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCO1 611654046 ZOXGFQICOCKTDH-MRXNPFEDSA-N 409.402 0.657 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)[C@@H](C)C2)cc1 677218963 VRZDIVRRMDWPHG-HNNXBMFYSA-N 408.524 0.984 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN1CCOCC1 727106059 HHRUCJRUUYDRPF-KRWDZBQOSA-N 422.551 0.930 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 729674750 LHALNYJGLOSUFL-UHFFFAOYSA-N 419.528 0.468 30 20 HCED Cc1cccc2nc([C@@H](C#N)C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c12 735792028 GQCJXTPZFLPVKD-LBPRGKRZSA-N 405.418 0.885 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 742066011 WGKZTCGJBBQAMV-HSZRJFAPSA-N 410.518 0.823 30 20 HCED CS(=O)(=O)CCS(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 742286827 MVOOWTOMPIGIKG-UHFFFAOYSA-N 408.505 0.603 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c1 742552173 OLBZFNMHSAPHQW-JBBFIGJUSA-N 409.493 0.994 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 745354304 SWVAEXXSWAVEMZ-ABAIWWIYSA-N 419.463 0.345 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)cc1 746962206 AESMMMIMOKTGSO-QGZVFWFLSA-N 406.460 0.796 30 20 HCED CN(Cc1cnn(C)c1)C(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1 747836838 FOOJGWBIXLHFAA-UHFFFAOYSA-N 400.483 0.677 30 20 HCED N#Cc1nc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 749282514 IQRYTOTWBUHLCA-LLVKDONJSA-N 404.901 0.246 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2c(C)noc2C)n1 750014940 SWXHLSDGCZLAHQ-LLVKDONJSA-N 412.449 0.754 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 750418472 LYLYHRFHGLMROX-UHFFFAOYSA-N 404.448 0.759 30 20 HCED COC(=O)[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1cccc(C#N)c1 751644981 NUURBOGWDIQXKE-OAHLLOKOSA-N 408.370 0.575 30 20 HCED C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 751731448 PSVNPBPTZRZLEM-LBPRGKRZSA-N 404.448 0.448 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(CC)s2)c1=O 752186572 ZWNCJGVIJLRCEI-UHFFFAOYSA-N 404.517 0.380 30 20 HCED COCCc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)n1 755548151 CJTOTLPIFCSIPG-GXTWGEPZSA-N 420.470 0.423 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(C)c2)c1=O 758061274 CBDBRWJNOFHDLV-UHFFFAOYSA-N 418.434 0.391 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(F)cc2)c1=O 758088875 FWEWZTSXJGNOTB-UHFFFAOYSA-N 413.474 0.728 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 758639545 FQWGCLZLZUUJRR-WFASDCNBSA-N 419.467 0.700 30 20 HCED Cc1cc(C(N)=NOCC(=O)NCCCN(C(C)C)S(C)(=O)=O)ccc1F 762708934 JUXJXXMZKUYXCU-UHFFFAOYSA-N 402.492 0.947 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)Cc2ccccc21 763909676 LTXYKIPQLPRNIE-UHFFFAOYSA-N 402.436 0.154 30 20 HCED C=CCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 772715839 VLGHTBAUFNVWDU-UHFFFAOYSA-N 411.299 0.702 30 20 HCED C=CCNC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 777513414 DFURZUQHPPZERY-ZDUSSCGKSA-N 407.448 0.042 30 20 HCED N#CCN1CCC(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 777937638 NGPZORDTOQNKGG-UHFFFAOYSA-N 409.424 0.818 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780609407 RKWJAJJGUNKBTH-JTSKRJEESA-N 418.538 0.917 30 20 HCED CN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 782672051 OPLKMSVFUNPICW-SILNSSARSA-N 410.496 0.669 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 782987847 RWGXDQIDEZPSDF-UHFFFAOYSA-N 407.944 0.684 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 783616982 USIANKMZFVCKNJ-UHFFFAOYSA-N 409.489 0.635 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C1CC1 784918121 DMPGNRHINBYOIG-UHFFFAOYSA-N 421.475 0.279 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1 785327211 BKZWPDCHESXHSM-KRWDZBQOSA-N 418.519 0.816 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1)[C@H]1CCCO1 787497859 AXHNYRPCYIHFNT-LEWJYISDSA-N 412.534 0.737 30 20 HCED CN(CCN(C)C(=O)C(=O)NCCNc1ncccc1C#N)C(=O)OC(C)(C)C 787787517 MLIXABJUKLBLHY-UHFFFAOYSA-N 404.471 0.807 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 788277742 GHCRGZVCBJTLPZ-HNNXBMFYSA-N 416.482 0.997 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 792453846 TVWBYSUKOZHUDX-MRXNPFEDSA-N 400.479 0.939 30 20 HCED N#CC[C@H](CC(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 795987243 UPZHBFKWULZCOT-HUUCEWRRSA-N 407.448 0.630 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 803138042 WAFXWODXWNNEDG-JKSUJKDBSA-N 422.526 0.995 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(N3CCN(C(=O)OC(C)(C)C)CC3)no2)C1=O 809515776 VMDTVERZKWLTTP-UHFFFAOYSA-N 420.426 0.604 30 20 HCED CC[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)OC 810485203 XWOCHFLOTPNXKF-FJGOLAJPSA-N 410.496 0.979 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC(C)C 814249393 NVIAYDKRNXURAQ-UHFFFAOYSA-N 421.473 0.833 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1 815913300 NZYSJMGMUFQEMA-CRAIPNDOSA-N 411.462 0.979 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 917134401 SOQJMFHMXVTIOD-UHFFFAOYSA-N 423.498 0.941 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 917203968 SSKVUAGWLQXIPB-DJJJIMSYSA-N 410.438 0.437 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C 917272560 XEIOSHAQEHNVRL-XHDPSFHLSA-N 404.402 0.848 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCNC2=O)C1 1118556490 XDSXBFUMFQBILO-UONOGXRCSA-N 411.532 0.458 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCNC3=O)cc2)cc1 1175970338 YZDGDGFKQFTQOX-UHFFFAOYSA-N 413.459 0.683 30 20 HCED CC[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCc2ccccc2C1 1211270548 ZUFBXQAVBRXIRY-GOSISDBHSA-N 410.478 0.957 30 20 HCED Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)cn1 1298809194 CATRRFMCWDKDFC-UHFFFAOYSA-N 408.470 0.962 30 20 HCED CN(C)C(=O)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314634932 MFZPRWDVVBUMPE-HOTGVXAUSA-N 414.514 0.274 30 20 HCED COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1315784901 OKCSTTDOTJRVIW-KFWWJZLASA-N 414.532 0.632 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@]1(N2CCOCC2)CCSC1 1318515812 IMEHVQJDRVUAGB-ZPICJPFVSA-N 409.512 0.020 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 1319447225 JEDUZBCNJLALIB-WMEZAZGNSA-N 405.499 0.580 30 20 HCED N#C[C@H]1COCCN1C(=O)c1cc(Br)c(C(=O)N2CCOC[C@@H]2C#N)o1 1324932311 COYOKPGBEMCQQM-QWRGUYRKSA-N 423.223 0.771 30 20 HCED CC(=O)N1CCN(CCn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)CC1 1596289223 MVHFNPJJKRGWPY-SFHVURJKSA-N 401.515 0.686 30 20 HCED 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C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1834601582 SWOCOFKJFBCPPH-NRFANRHFSA-N 420.462 0.693 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 1834619142 JUYVHJZIGYLZMT-SFHVURJKSA-N 422.570 0.481 30 20 HCED COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096639 JRMPEUUQRKIGAP-JOCHJYFZSA-N 400.475 0.920 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1835100237 IKRBBDHWBILRAX-HSZRJFAPSA-N 421.453 0.909 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3nc4ccccc4[nH]3)CC2)CC1 1835300228 POGWPOMLRLKHPD-UHFFFAOYSA-N 423.473 0.836 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1835675443 RGSYDXZBAPJLRL-SVMVAKDDSA-N 418.538 0.771 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675535 VSDUCKYNNDBDRR-DYESRHJHSA-N 422.526 0.316 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835697872 YWGVGSJDYMMLML-CQSZACIVSA-N 405.499 0.025 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836203376 ZSRWFULEUYXQIJ-YLJYHZDGSA-N 421.498 0.449 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)c1 1836632598 VTCMIHLFUWPUAZ-UHFFFAOYSA-N 401.463 0.790 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1837311681 KRGBVRQJTYNBFX-NQIIRXRSSA-N 417.510 0.893 30 20 HCED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838907080 XSSQLZAVLIFACF-OAQYLSRUSA-N 409.446 0.974 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839223178 ONGAMZYZAYUQPC-JXFKEZNVSA-N 420.466 0.191 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3C[C@@H]4CC[C@H]3C4)C2)C1 1840044555 LMMYTGRTBVXNPU-WOYCLPQFSA-N 404.463 0.357 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@H]4CC[C@@H]2O4)CCO3)c1 1840050688 UXGGAWQJKUWZGA-RDBAUFEQSA-N 414.462 0.524 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(CC)c3F)C2)C1 1840166893 JWMXIIPODGKRHM-HXUWFJFHSA-N 406.458 0.985 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCc1ccc(OC)cc1)CCO2 1840254487 WLVOIVSRZKFSKA-OAQYLSRUSA-N 402.447 0.301 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606827 IUXUSGZGJZYEEI-KPYOPSEVSA-N 410.470 0.387 30 20 HCED COCCn1nccc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1843509305 IZMVYTHGSOAWDX-ZFJBLLOBSA-N 419.482 0.876 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1844235737 VKYOLVUVHZYLFY-MRXNPFEDSA-N 421.519 0.875 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CCc1ccc(O)nn1)C2 1845189208 FMYYTJIITDGDCW-UHFFFAOYSA-N 402.451 0.828 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nn[nH]c1C(F)(F)F 1847264028 VYHGWKQSSWJCBR-WZQADMAKSA-N 412.372 0.497 30 20 HCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847944172 HCNMPZWHWWQDQW-FHIRATQRSA-N 423.466 0.204 30 20 HCED CN(Cc1cnn(C)c1)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 52077434 QBHBIQZUSDSGCC-UHFFFAOYSA-N 416.507 0.257 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1 431447434 GOZORNQZIHLENC-CRYYWNKWSA-N 422.532 0.830 30 20 HCED COCCCS(=O)(=O)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 431768863 NAAUMXXLPOPIGD-HNNXBMFYSA-N 412.537 0.709 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 437025021 RBEIXGJGGFTUPI-BEFAXECRSA-N 417.462 0.554 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)nn1CCC#N 439087481 QUVVXNUAEMEESF-SFHVURJKSA-N 422.489 1.394 30 20 HCED C[C@@H](O)C[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443873547 CLTSKHIDZBZSIG-AEFFLSMTSA-N 420.535 0.626 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cn1 446491364 WXTGFELGXGUXNH-UHFFFAOYSA-N 421.421 0.838 30 20 HCED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 447910445 XYNVROZPHBCSLR-INIZCTEOSA-N 413.434 0.530 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCOCC1(C)C 460618943 NEVNSJXKIYDDHH-UHFFFAOYSA-N 411.466 0.613 30 20 HCED CCN1CCN(CCc2noc(CCc3c(C)nc(O)c(C#N)c3C)n2)C(=O)C1=O 460837060 AMJLEAWUKBZAFQ-UHFFFAOYSA-N 412.450 0.677 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nnc(C(C)(C)C)s1 465426546 SJGOGIXFJZDCMX-LLVKDONJSA-N 414.495 1.173 30 20 HCED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 468081514 CAXYCVLRGHSFLM-GFCCVEGCSA-N 415.841 0.866 30 20 HCED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 470554179 WGXONPQJIKLWKD-WBVHZDCISA-N 415.475 0.690 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCN3CCOCC3)ccc21 470804407 SHRHHCGCYFQIDM-UHFFFAOYSA-N 413.478 0.656 30 20 HCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 471875527 VCGCBUGWXIUAAT-SJORKVTESA-N 412.494 0.331 30 20 HCED CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 480394125 HHRFECJAVVEQQA-IRXDYDNUSA-N 419.569 0.915 30 20 HCED COCCc1noc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 482810757 QRSGMSJVWLDXLC-GFCCVEGCSA-N 407.452 0.456 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccccc3C#N)CC2)cn1C 486119176 VGRSOWRASYBLMT-UHFFFAOYSA-N 416.507 0.935 30 20 HCED COC(=O)CCN(C)S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 486997464 KJVWFUCMRPVPDL-UHFFFAOYSA-N 423.451 0.668 30 20 HCED CCn1c(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)nc2cc(C#N)ccc21 490749263 QWNYNDSIIKQGCQ-UHFFFAOYSA-N 405.418 0.919 30 20 HCED C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N1CCOCC1 507441032 KGPMRGYNNACIQR-UHFFFAOYSA-N 420.491 0.984 30 20 HCED CCN(CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508320327 SPBCPELEYJTBJK-UHFFFAOYSA-N 412.454 0.185 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 509012923 GCIKPAQFBHRMCX-UHFFFAOYSA-N 405.370 0.182 30 20 HCED COC(=O)[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1C(=O)OC 511355710 SEFHONFUEKCEQO-RDJZCZTQSA-N 422.459 0.426 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C 518284067 NRZDCIOAABXQAV-UHFFFAOYSA-N 403.479 0.940 30 20 HCED COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 525846982 GZXRIJKRZKNPLY-UHFFFAOYSA-N 413.438 0.860 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCNS(=O)(=O)c1cccnc1 533005274 LPSUCTLHKRUSIO-UHFFFAOYSA-N 404.496 0.836 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)c1 537083635 BFZYPJNPZLYROJ-UHFFFAOYSA-N 421.396 0.355 30 20 HCED C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 537138586 YTCKWHARQBKATO-HOTGVXAUSA-N 424.523 0.758 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)c(C(F)F)c2)C1=O 538411819 JIGPQVLGJXIWHC-UHFFFAOYSA-N 415.374 0.943 30 20 HCED C=CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 541887391 AVZRRPGDJDPMRE-UHFFFAOYSA-N 402.498 0.314 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 541895583 SRPYVWBPLCHCGL-UHFFFAOYSA-N 416.486 0.692 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)n1 543931334 RSTZHNMDBJAJMR-GXTWGEPZSA-N 416.825 0.485 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)nn1 545173500 DGKCPBLXBUZUHA-SJLPKXTDSA-N 417.514 0.394 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 550646744 HRRJYZFDBVYMRR-CRAIPNDOSA-N 413.478 0.007 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CCC[C@H](C)C2)CC1 550778442 NSQDDKBFRUSJBR-SFHVURJKSA-N 407.559 0.061 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 554880064 QABYELHJWHUMFI-UHFFFAOYSA-N 411.299 0.433 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 558564819 VUMKEIITJVEMHJ-INIZCTEOSA-N 415.585 0.733 30 20 HCED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)O1 558740047 SUFAHXQOFYXQHX-PJVZLEMVSA-N 406.527 0.862 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 560647765 VRZGGTDNPJDWQR-CQSZACIVSA-N 401.442 0.473 30 20 HCED COc1ccccc1C1(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 560961552 KVYZTTZXVBNHEO-UHFFFAOYSA-N 410.478 1.111 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cnccc2C#N)CC1 561428497 AKYFLGIMTZODAG-OAHLLOKOSA-N 424.486 0.841 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc4c3OCC(=O)N4)CC2)c1 568924657 SEAOGFOGJZBTCW-UHFFFAOYSA-N 406.402 0.571 30 20 HCED COCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 574181542 GBRNYBJFQQDGCY-UHFFFAOYSA-N 407.902 0.555 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 589453273 LITXHSQTHOJXDC-RTBURBONSA-N 420.535 0.721 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603994052 DAWDGOCRSMKCFO-UHFFFAOYSA-N 411.483 0.226 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(CC(N)=O)cc3)CC2)cc1 604147798 AMEOVOUPLVRVAU-UHFFFAOYSA-N 405.458 0.869 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 608984693 QBTQPGVVZPLUKP-MRXNPFEDSA-N 406.512 0.645 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)nc1 609001190 RHLVHESAFWDULJ-UHFFFAOYSA-N 411.510 0.528 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)c1 609953866 IVLJEHSNZPXZFM-CYBMUJFWSA-N 409.393 0.554 30 20 HCED N#CCc1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 619479157 YTZCLNABHGUDNY-UHFFFAOYSA-N 424.460 0.918 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(Cc2ccc(C)o2)C2CC2)C1=O 726043175 RDOYQMONDITQQV-UHFFFAOYSA-N 403.391 0.599 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)Nc3cnccn3)C(=O)N2CC(=O)NC)cn1 730725743 YJNMPFVMKQQLQX-GFCCVEGCSA-N 416.467 0.399 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(=O)N(C)C 732798124 XOZGUFWXEJWLTB-UHFFFAOYSA-N 415.519 0.504 30 20 HCED Cn1ccc(N2CCC[C@@H](OC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)n1 744788835 RZWGAICZNRLMDL-MRXNPFEDSA-N 416.459 0.945 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2ccnn2C)c1=O 758062357 RHJVKULBNKWCMF-UHFFFAOYSA-N 407.430 0.557 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(C(=O)O)CCOCC1 762187554 APPBLDCQLNUKJK-UHFFFAOYSA-N 409.464 0.503 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1 766635020 UJUGRENLJQZMIX-INIZCTEOSA-N 408.524 0.539 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)cn1 772317091 UJYLGASPSDXBOG-UHFFFAOYSA-N 423.429 0.217 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C)[C@H]1CCCO1 773800105 UUQLFUFHHHGTTM-GOEBONIOSA-N 405.476 0.671 30 20 HCED C[S@](=O)CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 775989621 VNUBWHVWIAIIDY-HPGBDJQBSA-N 423.608 0.453 30 20 HCED C#CCN(C(=O)C(=O)Nc1scc(C2CC2)c1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 783481165 ODHFMTSMOARSKM-GFCCVEGCSA-N 424.500 1.000 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 784825096 XFXDKRDRGXOJHR-QGZVFWFLSA-N 400.479 0.160 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785157301 ZMFZAYNTVAXGLZ-PGMHBOJBSA-N 406.464 0.204 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 787780216 ZWOKQFPHEOAAFR-QZTJIDSGSA-N 414.510 0.365 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)n1 789788337 HRZZOFFRPKWTHD-UHFFFAOYSA-N 401.423 0.553 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)N(C)C 792424221 DCLQTDFCOIIKMS-OBZJLHOISA-N 423.495 0.031 30 20 HCED Cc1nccn1-c1ncccc1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 793807086 PFUQQMZYPBYVGP-UHFFFAOYSA-N 421.465 0.460 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccnc(C#N)c3)C2=O)cc1 795966895 IYMKVQQLKZZNTA-HXUWFJFHSA-N 423.385 0.617 30 20 HCED Cc1oc(C#N)cc1C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 797888267 ARUULXGVFZEJIV-UHFFFAOYSA-N 409.406 0.642 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)cc1 808449674 FLTNSYKNWZZZKO-QXAKKESOSA-N 403.504 0.975 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)[C@H]1CCCO1 809313312 SIOAYRCHPOFOIO-JKSUJKDBSA-N 405.401 0.546 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)cc1C#N 809503861 AGCWHAAXXOTZON-UHFFFAOYSA-N 413.522 0.669 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812440221 DVCCGUDSXNEGKC-SJORKVTESA-N 418.523 0.874 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 815785526 FOUPILLPBCFGJN-UHFFFAOYSA-N 401.444 0.943 30 20 HCED N#CCN1CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 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0.411 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1519529610 KVVIWUVWDKJKDO-NVXWUHKLSA-N 416.507 0.955 30 20 HCED Cn1cc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1618408150 IWMJGPVIJLSCKT-CVEARBPZSA-N 419.511 0.275 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1618691103 UYMREIPFTFJLLF-IAGOWNOFSA-N 412.450 0.183 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@]2(O)CCSC2)cc1 1620352320 PGGNLZOIBVONOD-LJQANCHMSA-N 414.491 0.533 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)cn1 1624986058 GMVSAHDTZVPEFG-UHFFFAOYSA-N 413.463 0.287 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)s1 1625458014 KWFBHFYWMDACBP-UHFFFAOYSA-N 401.448 0.565 30 20 HCED N#Cc1cn(CC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c(=O)nc1O 1635761513 XGIWJFJVZPGAOM-LLVKDONJSA-N 410.352 0.807 30 20 HCED CN(C)CC[C@@](C)(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1648730181 PCAGAAYQFRTXNS-HXUWFJFHSA-N 422.551 0.778 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(C(N)=O)CCOCC2)CC1 1654165789 TXQDNBTVIJUWMW-KRWDZBQOSA-N 403.458 0.159 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1F 1662465589 ZUMDVOWLFHRAQM-CYBMUJFWSA-N 418.468 0.827 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1662972112 YWFYAQITBBNSBG-LLVKDONJSA-N 408.299 0.633 30 20 HCED CC(=O)N1CCN(CCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1706006124 YSPMSMGVDLRTHR-MSOLQXFVSA-N 417.514 0.413 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712884615 PJNJUGWZWFSBEC-HZPDHXFCSA-N 402.480 0.427 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(O)CCO[C@H]1C 1727603812 UXKHUPDVXCQPIB-YWZLYKJASA-N 414.514 0.621 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 1741988669 UDWGLEWQQIDBDY-LSDHHAIUSA-N 409.512 0.726 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1766371000 PLSHOUIHUPDQSV-MRXNPFEDSA-N 409.450 0.936 30 20 HCED 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N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)ncn4)C[C@@H]32)cc1 1783604207 AWNADFLIQDMWPX-LNLFQRSKSA-N 421.457 0.890 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1783771625 UQYZGOBRROHZRY-BXTJHSDWSA-N 411.499 0.667 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1783925294 UQHWWFQTAWAFSP-FGZHOGPDSA-N 414.458 0.484 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1785015869 UZUQJVLOAKGGPH-XIRDDKMYSA-N 405.520 0.898 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1785375477 BUULLCCGMWHEQV-LJQANCHMSA-N 413.459 0.932 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785868397 FTAORELDARHPKW-ZOBUZTSGSA-N 405.520 0.898 30 20 HCED Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1787186006 RDSINSMDLFYABN-OHUPQBMTSA-N 403.487 0.178 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CCC)[C@H]2C1 1788739516 NZKQXFNYABHZMR-ATIWLJMLSA-N 409.527 0.862 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1789952982 ZLJAJMVBVHYIAN-UGUYLWEFSA-N 411.503 0.038 30 20 HCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc2c[nH]nc12 1790362718 QEJZQDKFVOYGTE-JQFCIGGWSA-N 410.430 0.553 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)[C@H]3SC(=N)NC3=O)C[C@@H]21 1790828812 AQXYQZOYEWQECP-PLZKBRGSSA-N 422.551 0.981 30 20 HCED CN1CCc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)ccc21 1791077072 ZSHNNJPNKHLVNS-LNLFQRSKSA-N 411.458 0.360 30 20 HCED CC(C)(C#N)C(=O)NC1(c2ccc(NC(=O)CN(CCO)CCO)cc2)CCC1 1791323750 CKNUVILXOXCCQS-UHFFFAOYSA-N 402.495 0.957 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCNC(=O)C3)[C@H]2C1 1791343716 GDDLOPQPWLFUIE-JSRQGNBESA-N 407.511 0.065 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792558454 YICRTHHYHKCYMB-RMYQPGKMSA-N 422.489 0.618 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)CCC)C2 1792565856 BWJQPDWWPLNBIB-CFFBLSJMSA-N 404.511 0.788 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1793354653 HYHLBOMPZDSBFP-IHSNIMORSA-N 413.478 0.612 30 20 HCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSCC(=O)OC 1793364885 KGAKFBUXTZMBOD-JJLQDPRZSA-N 406.451 0.694 30 20 HCED Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cn1 1794168915 WASACIYCBVWOMG-OPVJXMOQSA-N 413.522 0.804 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781231 RPACHEUWVKXLGG-FTEYMNFISA-N 402.491 0.313 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@H](O)CC1)C2 1797818228 MLNKFOZXURPKTH-BIWIVMDHSA-N 423.510 0.656 30 20 HCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccncn2)C3)c(C#N)c1 1799237295 GKQJJVOZCZJYOY-UPHUGPLXSA-N 421.457 0.803 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 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CC(=O)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807152043 YYMNXHMEILCEJU-PKOBYXMFSA-N 414.510 0.505 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)c2ccccc2)[C@H]1c1cccnc1 1812876437 LKQWHEMUNGHVRI-YYWHXJBOSA-N 407.426 0.909 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)OC)[C@H]1c1cccnc1 1813263726 ZXJNZTMWGAGAPO-QGPMSJSTSA-N 402.451 0.482 30 20 HCED CN1CCN(CCC(=O)N[C@H]2CCc3nc(NC(=O)C4(C#N)CC4)sc3C2)CC1 1814467967 FQLMQIXDHWYSEN-AWEZNQCLSA-N 416.551 0.996 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814920541 QJBSLXWKXLDGIB-BXUZGUMPSA-N 420.539 0.468 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3C(=O)CNC3=O)n[nH]2)CCC1 1815602335 OLDFOLXCRPMLMZ-CYBMUJFWSA-N 413.438 0.647 30 20 HCED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815671309 MCGRXOPFHBHWFP-CQSZACIVSA-N 408.484 0.046 30 20 HCED CN1CCN(CC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)C#N)CC3)CC1 1818794398 OIHWWUUZGBMPTL-CYBMUJFWSA-N 404.540 0.852 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3cnc(O)[nH]3)sc2C1 1820657530 VVRALBVZPQMHPT-WWQCOOJYSA-N 416.463 0.656 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC#N)CC2 1823566619 OKSHZQVCDVBHTL-YMTOWFKASA-N 409.468 0.812 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831216157 YXLBQPGNZWKZCD-ZJSXRUAMSA-N 423.513 0.571 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)cc3)C2)C1 1831397071 OSVWBMIWXPUOGH-IIBYNOLFSA-N 404.438 0.934 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1831406214 ANSVYHIPTPOMKS-NRFANRHFSA-N 420.510 0.956 30 20 HCED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831622416 DXPMWVDYHUEEGO-AVRDEDQJSA-N 400.475 0.777 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1csnn1)CCO2 1831748871 ZEEORWKITPIYNA-JHBOHYQCSA-N 422.511 0.080 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1832451976 NAOSMVWNGDZBJK-GOSISDBHSA-N 410.496 0.296 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832806436 CDIHRYNFJAWYNF-IBGZPJMESA-N 408.524 0.718 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1833426288 CWOFPYZNLMOEKX-UHFFFAOYSA-N 400.523 0.594 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1833428085 LBAUYFFCCHENEE-FPLPWBNLSA-N 412.534 0.806 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cn1 1833428229 GRNAMRAIAVVPLX-FQEVSTJZSA-N 417.466 0.495 30 20 HCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1834715216 IQERPXUBXULDLJ-UHFFFAOYSA-N 416.530 0.272 30 20 HCED COc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834753927 UWEXRZUSQBMHBC-FQEVSTJZSA-N 403.435 0.444 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn(C(F)F)n4)C3)C2)CC1 1835344841 YVMRCDQJOCNLSP-SFHVURJKSA-N 409.393 0.652 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411443 CEWIYLWLMRFBKT-XMSQKQJNSA-N 419.522 0.834 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cn4cccnc4n3)CC2)CC1 1835548214 KALXVHYOSCEFQT-UHFFFAOYSA-N 424.461 0.003 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC(=O)C=C)CC2)CC1 1836858901 CJTHIGMLWZHEKD-IAGOWNOFSA-N 419.522 0.714 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1837305862 LEPGGSBDUVYRCR-LLGFUMIMSA-N 423.510 0.274 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn3C)C2)C1 1837395045 OLRUIQQOOLJSGJ-LAUBAEHRSA-N 405.495 0.668 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1837397816 VUVSNRIGDNVKLA-SUMWQHHRSA-N 408.417 0.968 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559727 CTUJJYOBFJFDDE-FHMMEVJKSA-N 419.478 0.746 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1837561502 PMMNFBJHRPECJD-LKQKOTCASA-N 418.475 0.925 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838338308 YPCCITJHHKADJT-JXFKEZNVSA-N 420.466 0.191 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccnc5c4OCO5)CCO3)C2)CC1 1838475783 ZEJNDKDWOZCUDM-HXUWFJFHSA-N 414.418 0.184 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185964 UBYUIRRAXVQUBE-NQIIRXRSSA-N 419.453 0.467 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839841638 VAADYBBERMLBAI-DYESRHJHSA-N 420.510 0.812 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1839887694 MEXDTWZRZVPRIB-KRWDZBQOSA-N 414.409 0.588 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)O)CCO3)c1 1840025675 MMPXTBBZSZXNEW-VBKZILBWSA-N 403.435 0.018 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4occc4c3)C2)C1 1840042925 WVBHVRIBXXNVOV-NRFANRHFSA-N 412.398 0.591 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840066971 PUHVUUKIBQGELQ-OJJSKHJLSA-N 418.425 0.936 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840158876 SHVJWLZQHPSYNC-BDJLRTHQSA-N 400.888 0.518 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840159039 VQDZDNPGVPRVHB-LIRRHRJNSA-N 411.499 0.928 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840478126 YCXPHUWTFJFNRF-MBOZVWFJSA-N 418.498 0.459 30 20 HCED COc1cc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840680299 VCWYAWJIXBBVMK-OAQYLSRUSA-N 416.430 0.162 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938349 OTRICUIUINONCN-WIYYLYMNSA-N 409.527 0.520 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300375 BCXIOLVBIFMQAJ-KYBWMHIFSA-N 415.494 0.684 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)c(Cl)c1 1845488316 WSSVXHQVHJCFLZ-SFHVURJKSA-N 418.881 0.679 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CN3CCNC3=N)C4)c2c1 1845581489 VTDXKKKPKZKPMZ-UHFFFAOYSA-N 406.450 0.092 30 20 HCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)N(C(=O)OC(C)(C)C)C1 1846197167 BQNICWAYSZPVCR-HNNXBMFYSA-N 417.462 0.843 30 20 HCED Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 30626650 UBWGHTAMPKEYLS-UHFFFAOYSA-N 406.493 0.610 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CNC(C)=O)ccc1OC 56139829 QJZKPMKIMLNHTB-HNNXBMFYSA-N 416.521 0.695 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCCN1CCN(c2ccncc2)CC1 409593589 INIJMBNAPCSDLN-UHFFFAOYSA-N 410.544 0.290 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 428931004 NWIJEPRMABYRSO-LJQANCHMSA-N 420.429 0.446 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1CN1CCOCC1 430235343 DLGVTZHFSMMGDV-KRWDZBQOSA-N 416.478 0.845 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1=O 440258225 HPSCCVHMHBWFID-AWEZNQCLSA-N 413.438 0.163 30 20 HCED Cc1ccc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 444639516 MFVJHLVMVBGFHJ-HNNXBMFYSA-N 413.521 0.836 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@@H]3CCOC3)CC2)c1 448481355 LIWYXHJRUAEBPE-INIZCTEOSA-N 409.450 0.474 30 20 HCED Cc1ccc(C(=O)N2CCN(C3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 474898866 LJNLUZNHDFKZRA-UHFFFAOYSA-N 406.508 0.734 30 20 HCED CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 479074653 WUPAWZXODMHJFH-CVEARBPZSA-N 423.491 0.748 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)cn1C 481071925 NHAQIZUSZTXZQO-UHFFFAOYSA-N 423.520 0.437 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 482781544 MQADNLSXYDGVJG-AWEZNQCLSA-N 408.524 0.539 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 486462161 PJASIJUKEQVLTL-BFYDXBDKSA-N 404.471 0.389 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 504968743 IEOBRILWGHHTFN-CZUORRHYSA-N 418.479 0.173 30 20 HCED Cn1nccc1[C@H]1[C@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC(=O)N1C1CC1 505701206 NVFHAMLCHIHXRQ-OXQOHEQNSA-N 418.457 0.802 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCOC1 510080198 XXULMJPAWBNLMY-KRWDZBQOSA-N 406.508 0.502 30 20 HCED CS(=O)(=O)N1CCC(N(CC(F)F)S(=O)(=O)c2ccc(C#N)nc2)CC1 510587868 NYUKZFVDYAPZIC-UHFFFAOYSA-N 408.452 0.633 30 20 HCED CCN(C(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)[C@@H]1CCS(=O)(=O)C1 513974909 VBRGWJCCRUYULF-MDOVXXIYSA-N 416.503 0.367 30 20 HCED CNC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 514663301 SWVWPWULQKXIGH-SFHVURJKSA-N 402.474 0.492 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1 517001280 YNVSBPVSKMRDNM-MRXNPFEDSA-N 416.434 0.897 30 20 HCED CNC(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 521946921 MFSUAMMODRQKFM-UHFFFAOYSA-N 416.459 0.909 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccs2)c1=O 523088900 RNJIKLKZENOPJB-UHFFFAOYSA-N 407.517 0.273 30 20 HCED CN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 524015447 FJFOVFWUIUTXJJ-UHFFFAOYSA-N 400.526 0.661 30 20 HCED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(CCC#N)CCN1CCOCC1 531381604 RTQHJVGHWRYVLJ-FQEVSTJZSA-N 414.506 0.661 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 531793706 ZZLIPSADBXMWRD-KFWWJZLASA-N 406.512 0.924 30 20 HCED C[C@H](C#N)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 531796081 AKZDKURGJZEZER-DGCLKSJQSA-N 400.482 0.433 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](N4CCCC4=O)C3)CC2)o1 532981607 KDCULDYGQHXXBW-INIZCTEOSA-N 400.483 0.590 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 534951926 PRGXLNDFRAAEHA-UHFFFAOYSA-N 422.536 0.760 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 536560677 XTWHVSIXNSRDOJ-UHFFFAOYSA-N 405.480 0.988 30 20 HCED C=CC[C@@H](CO)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 537086011 XYLZXUQRPHCFCY-MRXNPFEDSA-N 411.528 0.017 30 20 HCED CCNC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537172948 PAOFMMYPIMZODP-INIZCTEOSA-N 404.540 0.804 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 539288564 HURCCTFNNFSYDR-UHFFFAOYSA-N 410.438 0.105 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cnn(CCN2CCOCC2)c1 541877924 GSPBDOJRCYVEFZ-UHFFFAOYSA-N 401.475 0.489 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 545502007 UHIPDWNJOAFYKT-AWEZNQCLSA-N 419.463 0.616 30 20 HCED CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(N)=O)C1 549756240 GZKZTVFMWBPRPQ-KRWDZBQOSA-N 414.466 0.846 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 552594460 UIQCEKAZKRKQCO-SFHVURJKSA-N 415.490 0.448 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 554291684 CXMLKZCXOXWYSF-GOSISDBHSA-N 423.525 0.789 30 20 HCED CC(C)NS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cn2)c1 555837112 VNCKTZIQIYZBEO-UHFFFAOYSA-N 401.448 0.895 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)CCC#N)cc2)C[C@H](C)O1 556995375 FWWSBNGVJUJJHV-KBPBESRZSA-N 408.480 0.795 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nc1 559628248 ZEMNUAMQEDTMBZ-GOSISDBHSA-N 418.457 0.841 30 20 HCED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCc2ccccc21 560857253 WDGHBANHEZIDDE-AWEZNQCLSA-N 409.494 0.822 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1=O 563575352 MGKRQYKCEQYKBD-ZDUSSCGKSA-N 424.404 0.613 30 20 HCED N#Cc1cc(Br)ccc1CN1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 570504145 AKPGGIWZIQTKGD-JKSUJKDBSA-N 414.325 0.596 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 570960346 PCRZFHRPGWEWNH-INIZCTEOSA-N 411.462 0.831 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)n(CCC#N)n1 575812108 UNPKKSWIQUWVCP-OAHLLOKOSA-N 401.471 0.648 30 20 HCED CCN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579050655 GJKTUDZORDMEOU-RBUKOAKNSA-N 411.506 0.576 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(OC[C@H]3CCOC3)CC2)c1 581856012 XRTWZUYROGUNIO-INIZCTEOSA-N 407.492 0.881 30 20 HCED C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 582802403 ZMIHNPQGVXSACX-HNNXBMFYSA-N 418.461 0.551 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1 586830922 GNKFITDAMWXAFB-HNNXBMFYSA-N 417.466 0.384 30 20 HCED CC(C)OCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 588650311 VDQXSOKZBCNDHW-UHFFFAOYSA-N 401.423 0.996 30 20 HCED C=CCN(C(=O)c1ccc(CNS(=O)(=O)CC)cc1)[C@@H]1CCS(=O)(=O)C1 607632690 KJTCDIHTXSJPBY-MRXNPFEDSA-N 400.522 0.941 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 609352342 XEVJFZRLLMZWCH-QGZVFWFLSA-N 406.508 0.834 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726669437 BPTAXCOUWCSOHO-ZDUSSCGKSA-N 409.464 0.546 30 20 HCED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1F 727611173 RPWPTYGYFDWXGW-UHFFFAOYSA-N 423.401 0.802 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1Cl 730405386 JNEMCYXNKNFZNA-UHFFFAOYSA-N 410.839 0.881 30 20 HCED N#C[C@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)C(=O)N1CCS(=O)(=O)CC1 732909974 IEOKIJPTVWUMEV-CVEARBPZSA-N 419.459 0.536 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 735771761 IRHUXDJJHDEEDW-HNNXBMFYSA-N 424.479 0.597 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1C 737096590 JACBGRZKIKUIPJ-UHFFFAOYSA-N 416.463 0.384 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2SC(=N)NC2=O)c1 742552169 OLBZFNMHSAPHQW-HLBVEJKMSA-N 409.493 0.994 30 20 HCED Cn1ccc(N2CCC[C@H](OC(=O)CNS(=O)(=O)c3ccccc3C#N)C2=O)n1 744617992 QWKYNSDHFGZVDL-AWEZNQCLSA-N 417.447 0.309 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746944171 YEDCTAWZERLTKG-JEOXALJRSA-N 401.423 0.232 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](C)(O)C2)c1 749774215 OKMOVIBUGCNHRD-CTBJKRMSSA-N 408.480 0.421 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1=O 751618755 RLFKPWHZICYSGJ-CYBMUJFWSA-N 418.456 0.766 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc1C#N 752204440 PVPVZMLSGIIFNE-UHFFFAOYSA-N 406.424 0.777 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2Cl)c1=O 758054277 KNYQUVCKFUTERR-CYBMUJFWSA-N 415.902 0.851 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 761032498 IWOZAJGXXFKHCA-MRXNPFEDSA-N 421.523 0.425 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 761036767 IXOXDDNWPNOFKL-MRXNPFEDSA-N 400.545 0.719 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(OC)cc2)CC1 761921068 CAVNTBXAVNLDNB-UHFFFAOYSA-N 423.473 0.867 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c1 763713633 JSCXSSGACGOTIQ-OALUTQOASA-N 405.520 0.971 30 20 HCED CCc1nnc(S)n1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 765658901 RIBCRYWXDUUUIP-NSHDSACASA-N 408.509 0.484 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)c1cc[nH]n1 772358152 JHCFJBWLAKFOHP-UONOGXRCSA-N 412.468 0.262 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 776116509 SUZPNAYKKFNMNG-UHFFFAOYSA-N 423.563 0.849 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc2c(cc1SC)OCCO2 783348054 WGCOVQXXRCCEGA-UHFFFAOYSA-N 400.478 0.835 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 785145748 VNEURLVZBCTLTR-KRWDZBQOSA-N 404.419 0.991 30 20 HCED N#CC1(NC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCCC1 787002913 XQBZIYXEDVGBMF-KRWDZBQOSA-N 420.510 0.586 30 20 HCED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CCN(Cc2ccccc2)C1=O 787774389 HOZSLRUBUIUERN-SFHVURJKSA-N 420.473 0.741 30 20 HCED CCC(=O)NCc1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)ccc1OC 798843674 PTANYBAMWBQLPP-NSHDSACASA-N 420.451 0.251 30 20 HCED C#CCNC(=O)CN1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 802023134 IKQWIABUBOPURO-UHFFFAOYSA-N 402.499 0.958 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC(N)=O)c2)cc1 802330082 YPMDBSZBYCKAEB-UHFFFAOYSA-N 400.416 0.659 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 804558865 RMSPWSMLHLCETR-KUHUBIRLSA-N 418.475 0.191 30 20 HCED C#CCCS(=O)(=O)NC[C@@H](O)COc1ccc(I)cc1 808294615 GLYFTTRIQOMQAV-GFCCVEGCSA-N 409.245 0.974 30 20 HCED CC[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)OC 810484106 NXNHIYYPAQTOJT-HDOZFUISSA-N 410.496 0.979 30 20 HCED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 811734387 DNPVHJASQPWUQM-IBGZPJMESA-N 400.439 0.296 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812189509 BKHYFYHZVNXQMN-OAHLLOKOSA-N 411.528 0.470 30 20 HCED Cc1cnn(C)c1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 813990454 JQGKBXBLQCVMDE-UHFFFAOYSA-N 401.452 0.697 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 915006940 WRYMBNSFMIIKMT-LJQANCHMSA-N 423.491 0.919 30 20 HCED CCO[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917305176 QBYZCAFNJQSMPN-HZPDHXFCSA-N 421.475 0.359 30 20 HCED Cn1c(C(=O)O)cc(Br)c1C=NNC(=S)NCCN1CCOCC1 1116077118 MYSJMYAZUNQXLF-UHFFFAOYSA-N 418.317 0.616 30 20 HCED CN1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1298879672 OZOSQWJAHJALQY-MOPGFXCFSA-N 414.445 0.434 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 1320723535 UPGVOVCRGVUHIQ-ZGOJQLDESA-N 409.446 0.544 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C(C)C)n2)c(=O)n1CCOC 1323675646 RPKLIJPHQDIAEB-UHFFFAOYSA-N 418.544 0.941 30 20 HCED C[C@@H]1CN(c2cccc(CN(C)C(=O)NCCn3cnc(C#N)n3)c2)S(=O)(=O)C1 1478603657 ISEXAQOVDITQBC-CQSZACIVSA-N 417.495 0.777 30 20 HCED Cn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1503671937 IIZNNHGACFHFFV-AWEZNQCLSA-N 404.500 0.487 30 20 HCED Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1612435238 ZQCGNFBFYXDMKX-JQWIXIFHSA-N 411.513 0.430 30 20 HCED CSc1nc(O)c(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cc1C#N 1632820608 WQGHJOFBAYSHQV-UHFFFAOYSA-N 404.496 0.506 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 1641568257 SLFGFUMOEBWRAO-KRWDZBQOSA-N 411.505 0.264 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCn3cccn3)CC2)cc1 1659433128 RTCRBMXRMCMUAE-UHFFFAOYSA-N 409.493 0.091 30 20 HCED CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1663491046 XMPHZONJPOLYIZ-LBPRGKRZSA-N 422.326 0.975 30 20 HCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)[C@@H](C)C1 1741044766 POLVINNALHDFIA-KSFYIVLOSA-N 423.521 0.940 30 20 HCED CC(C)(C)OC(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1750506643 VCPFHWSAIFHNSY-AWEZNQCLSA-N 419.486 0.768 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)C1 1751277268 JQXUOHGBTFYATA-MAUKXSAKSA-N 418.527 0.992 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)c1 1778414459 IFCPTWYRCPWYTQ-FQEVSTJZSA-N 405.418 0.915 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1779038072 OENJYAIOGGPYMM-RDTXWAMCSA-N 413.544 0.101 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779285811 NWWDKPNKAOTJRA-VGSWGCGISA-N 417.506 0.206 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 1779621863 QKXPEZSXQAONIH-LAUBAEHRSA-N 404.511 0.999 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)c4cn5[nH]cnc(=O)c5c4C)C3)C2)C1 1780016723 OOECTHKNIAPGAI-NRFANRHFSA-N 411.462 0.741 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691495 GBPACSAFUPFKOC-FOIQADDNSA-N 419.503 0.682 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1781396085 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C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cncnc1C 1798199931 LGOHHOXEKWAKRI-JLVBRIDZSA-N 402.451 0.498 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)C2 1798394121 AKUDJDREGZAJHL-FCGDIQPGSA-N 420.554 0.362 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cc(C)on1)C2 1798397149 YPZFCTHALYPQRN-IVSAIRAKSA-N 418.494 0.924 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)nc2sccn12 1799096698 YRPSJYNJZRDWLS-ZSBIGDGJSA-N 400.416 0.096 30 20 HCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799186669 PFOOQHKLSIQRAI-HUUJSLGLSA-N 404.555 0.406 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1800980436 JRKQKULDDARYJB-FQRJBHLQSA-N 409.552 0.685 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800987368 OSDLWBPCPJSFIR-QKDZRIPBSA-N 406.508 0.108 30 20 HCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1801164356 HLEQFQPMRSFXAV-UPHUGPLXSA-N 414.506 0.918 30 20 HCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)n1cccn1 1801383689 YXHJURBXKOKAAN-NXOAAHMSSA-N 402.499 0.316 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4c(c2)CNC4=O)C3)CCC1 1801984907 VMUZOCAGMYFAGJ-ALXJQNPVSA-N 408.458 0.827 30 20 HCED CCOCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801992491 KIZPNNQJHVJRSI-UPHUGPLXSA-N 401.463 0.953 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2c2cccnc2)CC1 1803914684 DRJKEBQVVUCLSD-OXQOHEQNSA-N 421.457 0.706 30 20 HCED CN(C)CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807146085 VAOVZERHUUJFSP-PKOBYXMFSA-N 400.527 0.931 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810146244 JBMCPUKUOBGFPF-PBHICJAKSA-N 410.482 0.970 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1810247275 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N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)c4ccccc4)CCO3)C2)c1 1834706491 LOCOLEWCTWZLSV-QFIPXVFZSA-N 422.441 0.839 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102135 HPVJFBJKJRTUEM-VGSWGCGISA-N 413.474 0.019 30 20 HCED C[C@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344499 ILMYPRZNUFOHLP-YWZLYKJASA-N 414.466 0.037 30 20 HCED CC(C)n1nccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835947089 GUCRITKFRYGOQF-UHFFFAOYSA-N 415.494 0.737 30 20 HCED Cn1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1835985878 GAWSDSJCTGFXGS-NRFANRHFSA-N 400.479 0.223 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn5cccnc45)CCO3)C2)CC1 1836844728 KKOIANRFOHNKCU-FQEVSTJZSA-N 410.434 0.103 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cc3ncccn3)CC2)CC1 1837211896 KFLFCFASMQLVQS-UHFFFAOYSA-N 400.435 0.106 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1837300223 CSENDDNVBOVPRW-JXFKEZNVSA-N 403.483 0.654 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1837492375 GYMDJGACJWTLJB-FVJLSDCUSA-N 408.470 0.499 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837737783 GEJBEOVITGQPMV-VGSWGCGISA-N 412.490 0.752 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837741194 JMTIZIFIWNJNTL-UZLBHIALSA-N 401.467 0.642 30 20 HCED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905355 CAOKKKOZMZFGBL-UGKGYDQZSA-N 412.490 0.722 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)n[nH]1 1838907380 OQJFKUVMCIUWPC-QFIPXVFZSA-N 423.473 0.903 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)CCO2)C1 1839695124 ZGWTZKCSHFJGCQ-RXFYRGCNSA-N 408.520 0.909 30 20 HCED CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043308 QXLBJCIWCXFYMS-NRFANRHFSA-N 400.431 0.407 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840160888 XCMRHVDBDWSQJI-KUHUBIRLSA-N 419.507 0.426 30 20 HCED CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2)OCC 1840165841 LUPBJUZKRYJTGV-KSSFIOAISA-N 404.529 0.550 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840167968 YKBWKPPAFDMLGJ-GOSISDBHSA-N 405.411 0.191 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1840169572 MDIGSNZCNYFLGR-FQEVSTJZSA-N 406.479 0.590 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840532151 IVVCWDQCLKRODI-UGKGYDQZSA-N 413.474 0.594 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)n[nH]2)C1 1842985286 MDJVFCWPMJLMQE-CYBMUJFWSA-N 417.466 0.849 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847746604 NVVGUUASTMJCKZ-OWSLCNJRSA-N 417.506 0.972 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)CC(N)=O 1847863873 MLZLFRFIXSYJIU-WCVJEAGWSA-N 420.510 0.616 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnnn3C[C@@H]3CCCO3)CC2)o1 31529929 NJVWZCLCUHIYLE-ZDUSSCGKSA-N 418.483 0.461 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 41854376 ABOUSQIJFBRESF-UHFFFAOYSA-N 417.447 0.740 30 20 HCED CN(CCN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1)Cc1ccccc1 410142241 XPCHHPXBNDRWAN-LJQANCHMSA-N 407.540 0.205 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 410153410 YUZJZMOHBJFHOB-KDOFPFPSSA-N 422.507 0.743 30 20 HCED CC(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432874861 VZMQNFVZYSKUGO-UHFFFAOYSA-N 415.313 0.763 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1=O 439389632 VOFXODPKFPDWER-QGZVFWFLSA-N 400.483 0.720 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC)[C@@H]2CCNC2=O)cc1 443256425 LYSXZUPWNKBJAW-OAHLLOKOSA-N 408.480 0.169 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)NCCCC)ccc1C 443273856 ISKHUIAZJHOAIB-UHFFFAOYSA-N 410.496 0.430 30 20 HCED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 443393636 NSPQKVQAJXKSAV-YJBOKZPZSA-N 415.494 1.449 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 464302429 RHZFSHJJIDTKJA-BZNIZROVSA-N 404.423 0.707 30 20 HCED CNC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 470654330 QERXMWGLKLICOY-UHFFFAOYSA-N 419.507 0.443 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 470994831 RZGSHFSBTFVNAQ-IRXDYDNUSA-N 414.462 0.588 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCn4ncnc4C3)nnc12 474842345 PLCUYFGULILFQK-UHFFFAOYSA-N 422.474 0.956 30 20 HCED C=CCCCCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 480515560 RQHBLOAILHMTGO-UHFFFAOYSA-N 422.551 0.711 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)NCc1cccnc1 481476841 GMFLJMVEVHDMTN-CQSZACIVSA-N 415.475 0.443 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1)C(=O)OC 481582139 QJMXYXGJEZATQP-CQSZACIVSA-N 400.453 0.420 30 20 HCED CCn1c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)nc2cc(C#N)ccc21 490768815 LQZYEJLLUSPJGO-UHFFFAOYSA-N 406.406 0.314 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c3ncccc23)CC1 491173473 USVUCWUFIMJORA-UHFFFAOYSA-N 411.462 0.628 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)nc1 497460477 HOIPRYLVSQRSJK-UHFFFAOYSA-N 408.462 0.653 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 510230034 SJTVPLNUEGLWNV-KSSFIOAISA-N 422.507 0.886 30 20 HCED CCn1c(N)c(C(=O)CN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513979900 LHGHWVRXXMJUHA-PRWKNARSSA-N 408.418 0.079 30 20 HCED COCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(C#N)o1 519844549 PSKHWNFKYZGYQP-UHFFFAOYSA-N 400.438 0.658 30 20 HCED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 523468084 YBMWNRLKMKFMFK-LBPRGKRZSA-N 410.452 0.025 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 524344641 KEPSJLHSOKWZGI-UHFFFAOYSA-N 419.510 0.972 30 20 HCED COc1cc(C#N)ccc1OCCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 525422636 CTIUOMQQNXBJIG-UHFFFAOYSA-N 400.435 0.239 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)o1 526000954 UNDVZUBJBYHHED-MRXNPFEDSA-N 402.499 0.775 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 533377109 FQQMQQBATJDLMS-HXUWFJFHSA-N 402.462 0.878 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 541361954 FMDXPQZJQISOOS-HUUCEWRRSA-N 423.491 0.994 30 20 HCED C=CCN(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 553102886 LFEAGYSOJDPPDW-MRXNPFEDSA-N 413.521 0.696 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 553344196 OGIQSSBNJHZCGS-KMFMINBZSA-N 409.508 0.869 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 554399775 ZTKDDEQQMWHAQN-FUHWJXTLSA-N 411.506 0.970 30 20 HCED C=CCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(-n2cnnn2)c1 557717711 GDAFRQHLODAZHQ-CRAIPNDOSA-N 418.523 0.857 30 20 HCED C=CCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 557717712 GDAFRQHLODAZHQ-MAUKXSAKSA-N 418.523 0.857 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 573732681 CKSLUIJEULIQNY-UHFFFAOYSA-N 422.449 0.152 30 20 HCED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 581982697 AKHSDOBLRCCLDC-UHFFFAOYSA-N 408.414 0.315 30 20 HCED CN(C)c1nc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cs1 587663905 DCRRYURODMHUPF-UHFFFAOYSA-N 413.507 0.877 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)C2)nc1 589884364 ADYZSPBRUXOSLI-OALUTQOASA-N 414.510 0.522 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 590897962 UVLNIXIRBPKGBK-AWEZNQCLSA-N 413.499 0.759 30 20 HCED COc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1NC(C)=O 609157969 WVGSFTWBBFRLRZ-UHFFFAOYSA-N 410.496 0.890 30 20 HCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N3CCO[C@H](C#N)C3)cc2)CC1 609282196 KFWWXGOVLLBTMM-GOSISDBHSA-N 400.483 0.653 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 609530621 OXBKVHFXUXVGRP-SFHVURJKSA-N 419.551 0.321 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 610392313 VNDVFQUYCCEQIK-UHFFFAOYSA-N 424.523 0.390 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 611357729 LGCZDFODGZTAJZ-UHFFFAOYSA-N 403.411 0.598 30 20 HCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 725769757 YFRJXKMAKQXAJD-LPHOPBHVSA-N 402.476 0.934 30 20 HCED C#Cc1ccc(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cn1 728936967 ALJXGERWPIRYAF-CYBMUJFWSA-N 401.444 0.615 30 20 HCED COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(CC#N)CC2)c1 729483026 MMASKDALPWBEPB-SNAWJCMRSA-N 409.464 0.720 30 20 HCED N#Cc1cccnc1NCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 731456976 CWTRURNZUZEDQV-UHFFFAOYSA-N 410.419 0.206 30 20 HCED COC[C@H](C)NC(=S)NN=C(C)c1cccc(S(=O)(=O)N2CCOCC2)c1 739399181 AHRMYIGINYMPMT-ZDUSSCGKSA-N 414.553 0.931 30 20 HCED C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 740071435 MXBWGJCRTCXPIV-UHFFFAOYSA-N 407.521 0.945 30 20 HCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(C)(=O)=O)c(F)c1 741760856 SYIUEWUTHOWBQZ-UHFFFAOYSA-N 402.517 0.750 30 20 HCED Cn1ccnc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 743465976 VFJNXRBSFDCICT-UHFFFAOYSA-N 402.480 0.198 30 20 HCED CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)OCCn1ncc(C#N)c1N 744112195 SMSXQPPKDMVHLD-CYBMUJFWSA-N 406.468 0.873 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 747854520 NKKUQFIJXXSEML-UHFFFAOYSA-N 413.526 0.160 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C 758586047 PWOSGZGNGNFXSI-UHFFFAOYSA-N 411.531 0.717 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758643503 VSZPJBMBXYSBJU-UONOGXRCSA-N 416.500 0.465 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 761036357 DOUJVQNNTUEZMW-UHFFFAOYSA-N 416.406 0.032 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 770099347 MHPGFYUFAUQLGB-SNVBAGLBSA-N 403.254 0.938 30 20 HCED C=CCS(=O)(=O)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 772718002 JQCFKLIUWJZDAL-UHFFFAOYSA-N 414.509 0.388 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1 773414906 LBJTWLHNAADFOW-SFHVURJKSA-N 405.520 0.925 30 20 HCED C#C[C@@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 775388674 YINZAYBSEUWBLZ-OAHLLOKOSA-N 407.492 0.446 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 775550572 HEOLXTLGGSMYDL-UHFFFAOYSA-N 419.486 0.334 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O 783844198 HSZFJNJVHGTEMR-QWHCGFSZSA-N 408.455 0.915 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(c2ncccc2F)CC1 784169398 JHKIFJFUHYZCMZ-UHFFFAOYSA-N 417.466 0.998 30 20 HCED C[C@H]1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CO1 784269588 IXYBHVBNLULVJN-GOEBONIOSA-N 421.475 0.359 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NCc2cccc(C#N)c2)CC1 796571810 SSZJKZMMWNFXSV-UHFFFAOYSA-N 407.492 0.617 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCOC[C@@H]3C#N)ccc2F)CC1 800902734 YIJJNRHHCQTVMX-HNNXBMFYSA-N 424.454 0.043 30 20 HCED COCCN1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 801618719 YWNSETYBUDYYNR-SILNSSARSA-N 423.495 0.779 30 20 HCED C[C@@H](C#N)OCCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 801822028 ZYKZCOMBSFIRAZ-AWEZNQCLSA-N 411.480 0.859 30 20 HCED C#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 802577157 RQFRWLPDNWQMGN-CQSZACIVSA-N 421.475 0.290 30 20 HCED CC[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)S1(=O)=O 805392994 OXQSWNDUFOPWPU-CHWSQXEVSA-N 413.521 0.539 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)n1 807639190 VCRKCKHIDTUCBG-HNNXBMFYSA-N 414.510 0.589 30 20 HCED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2nnc3n2CCCCC3)nc1 809176465 ZCKOWORVYNRHQB-UHFFFAOYSA-N 409.493 0.660 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1S(=O)(=O)N(C)C 813981113 UPRXWJUSCWMGPT-UHFFFAOYSA-N 424.460 0.331 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)cc1 816759341 KWWWSZQHHKLRMT-INIZCTEOSA-N 406.464 0.455 30 20 HCED COC(=O)C1CCN(S(=O)(=O)NC(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 919669073 AEVQRKCPEJEFBE-UHFFFAOYSA-N 424.479 0.454 30 20 HCED N#CCOc1ccccc1C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 920633122 GWLPIUYXZYUVNQ-UHFFFAOYSA-N 415.427 0.982 30 20 HCED C[C@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)O1 921172721 JGXCODPKFSNNBD-OKILXGFUSA-N 409.464 0.671 30 20 HCED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@H](OC)C2)nn1 944044096 LETAMQKODXGMBE-PYHWDSJMSA-N 401.467 0.233 30 20 HCED Cc1cc(CN2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 1117634072 YJVSNTCQGOEYDS-UHFFFAOYSA-N 417.491 0.868 30 20 HCED COC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1138813965 JUSNGBBZUFWRJW-GFCCVEGCSA-N 402.432 0.723 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)nc1 1212136187 JMXXSOYCELPGRR-CYBMUJFWSA-N 401.466 0.083 30 20 HCED N#Cc1cn(CCC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c(=O)nc1O 1295408509 KVTOSOFZVRVWKD-UHFFFAOYSA-N 407.434 0.431 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCC1(C#N)CC1 1337237644 HDALPWUJUSDROW-CQSZACIVSA-N 400.478 0.615 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1339049069 VDORFDNGPQRIDN-HOCLYGCPSA-N 407.434 0.794 30 20 HCED CNC(=O)NC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469002962 QJMSDZPDPUNRPM-LBPRGKRZSA-N 407.496 0.424 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C(=O)C1 1596428615 MLUMSCGDRPZCMP-UHFFFAOYSA-N 413.434 0.923 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1597318634 XEQMVIXQYDMJSF-LJQANCHMSA-N 405.455 0.974 30 20 HCED COC(=O)C1(C#N)CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 1645675161 KSPHKIUSDOFSOD-UHFFFAOYSA-N 422.507 0.963 30 20 HCED Cc1nc(C#N)cc(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 1655219916 RRUIBCULKCZEPO-UHFFFAOYSA-N 422.511 0.728 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1665033292 VQVPEDCSZAPPPK-UHFFFAOYSA-N 420.516 0.977 30 20 HCED CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cn1 1696610673 NIOXKSTVORVSTA-MRXNPFEDSA-N 410.482 0.639 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705744956 UJOYDZOVHOZAJB-LBPRGKRZSA-N 404.924 0.687 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCC1 1706870817 ITRKHVOMCCEOLE-XJKSGUPXSA-N 413.523 0.815 30 20 HCED CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1710604652 KAQFLOVYMPMZNU-CZSZNVFWSA-N 411.528 0.706 30 20 HCED CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCOCC1 1768479463 IQKADBSLKNIBPE-UHFFFAOYSA-N 409.494 0.864 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594294 JXSDKUZUYTYQGH-LWOHLBADSA-N 422.445 0.885 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1778966735 CRFFJTKLAHKPJT-HRAATJIYSA-N 418.494 0.892 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1778967979 OJOSTAIZTDUKHH-QRWLVFNGSA-N 422.457 0.799 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1779016248 AWPCCJDJYKGIPM-FNNTWHHHSA-N 405.543 0.774 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103744 AHFCTEOHLVFWDH-BPFNHQQESA-N 410.515 0.733 30 20 HCED CNC(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396009 MGZONXFZEJHKHG-DYESRHJHSA-N 419.522 0.335 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)Cc3ccccc3NC4=O)C2)C1 1779983576 JWZFIFPVDLFPEL-QFIPXVFZSA-N 419.441 0.574 30 20 HCED CNc1nsnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780330487 UHZJMRLGANMSQH-KRWDZBQOSA-N 401.452 0.537 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581381 GAQYFACPHLTGRQ-LAUBAEHRSA-N 413.478 0.975 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783126862 JQEDMMCSLYHKCT-GCKMJXCFSA-N 419.526 0.902 30 20 HCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCC(N)=O)C3)C2)ccc1F 1783153014 ZJOZMVHRFCGRGE-FQEVSTJZSA-N 402.426 0.335 30 20 HCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784389443 BTOJOERYWKAVPU-UFYCRDLUSA-N 422.522 0.449 30 20 HCED 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C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](N)c2ccccn2)CCO3)C1 1835693971 BDGHCVPQZTUAHB-WIYYLYMNSA-N 400.479 0.504 30 20 HCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)S)CC3)CC2)nn1C 1836204287 DVNZGWMKKQFIAX-CYBMUJFWSA-N 409.556 0.932 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967923 DVXJKSCCWIVIFK-HNNXBMFYSA-N 421.502 0.473 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1838075461 WBPYDVOUVFKRPC-IBGZPJMESA-N 417.485 0.596 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 1838558890 BANSYDVOIBKREK-UHFFFAOYSA-N 418.406 0.623 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1838952853 JIKHUBDXBPZZLS-KKSFZXQISA-N 424.461 0.481 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208513 SUWDIWMAWRVROJ-SMDDNHRTSA-N 407.330 0.689 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839222602 SMURWCNYDGHWTF-FXAWDEMLSA-N 410.515 0.340 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cc[nH]n4)C3)C2)cc1 1839363376 GTZAIJBVFGNABO-JOCHJYFZSA-N 423.473 0.788 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645170 AEBDUCZDLNYIPJ-JIFRPHPKSA-N 409.483 0.074 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1839840403 FHQKKAGBGIEUCZ-IIBYNOLFSA-N 419.478 0.678 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839841808 ZAROCVJCAGBYOS-SYNHAJSKSA-N 422.551 0.682 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1840840691 IHAAPCCRLNSFJY-JOCHJYFZSA-N 416.474 0.813 30 20 HCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C1CC1 1843360634 FRMWUVZYFDGSRI-INIZCTEOSA-N 405.451 0.581 30 20 HCED CCOc1cc2c(cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N)OCCO2 425973183 GRWXPQWGQCGWLQ-UHFFFAOYSA-N 414.422 0.721 30 20 HCED C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 428791177 CMJYBGUXNRTGTI-FUHWJXTLSA-N 407.478 0.934 30 20 HCED Cc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)cc1S(N)(=O)=O 439614499 YPYRYBQGQBMQOM-UHFFFAOYSA-N 401.448 0.918 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)cc1 440104674 MTEFVDRTWJKFRI-UHFFFAOYSA-N 422.441 0.687 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 441044585 XIJLORJXUQEURR-KBPBESRZSA-N 400.435 0.384 30 20 HCED CCOC(=O)c1cc(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cn1C 443717189 IOOHPSDZHGYLED-UHFFFAOYSA-N 421.417 1.540 30 20 HCED N#CCCn1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n1 444040040 VZUSOYDPCWIMFS-HIFRSBDPSA-N 407.427 0.698 30 20 HCED N#CCN1CCC(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 461696052 BZLSREMPTZRSRF-UHFFFAOYSA-N 421.523 0.136 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCO[C@@H](C#N)C3)c(Br)cc21 462283879 OETVHAHDAWHPQC-VIFPVBQESA-N 415.269 0.553 30 20 HCED CC(C)[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1CCOCC1 464817868 IPUDFFGEOXVTAW-SJLPKXTDSA-N 401.515 0.925 30 20 HCED C[C@H]1CN(CCN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 469145309 VBBOJUYARISSSE-IYBDPMFKSA-N 408.524 0.746 30 20 HCED Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 474575943 NHOSGGYPRDFLRE-UHFFFAOYSA-N 423.398 0.933 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 484549065 BZTJXNNTGOZPON-WBVHZDCISA-N 404.492 0.289 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)c1 501806695 QVHIGSWRAYDWAE-OAHLLOKOSA-N 424.523 0.771 30 20 HCED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502374284 AEAQKIOWYNHIRE-ZWKOTPCHSA-N 407.492 0.899 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 505666296 XCECIVKKWWDMPY-OVWALXMSSA-N 418.453 0.977 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2)c1=O 505690763 VZLZXPRFNZZCQC-UHFFFAOYSA-N 405.483 0.723 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOC[C@@H]3[C@H]3CCCO3)n2)cc1 507348377 SELRRDHFRWYCOC-IAGOWNOFSA-N 410.434 0.543 30 20 HCED COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)cc1 509003951 YXVHJNOUDKXHTP-UHFFFAOYSA-N 409.402 0.642 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CCN1Cc1ccccc1 513037925 VTXSRPCGIMXEHJ-LJQANCHMSA-N 405.458 0.889 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514032766 LCOABNYUPJPUGT-PJIJBLCYSA-N 417.491 0.465 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)nc1 518210146 PIGXEPUQDUOZMF-UHFFFAOYSA-N 412.837 0.993 30 20 HCED C=CCc1ccc(OCC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c(OC)c1 520500929 MAKRNWINSLXYAI-CQSZACIVSA-N 410.492 0.564 30 20 HCED COC(=O)c1cccc(CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c1C#N 534470359 RULNAUFIUOPRFP-UHFFFAOYSA-N 404.448 0.980 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)s1 536893700 PKQMGGPDLMDQFP-UHFFFAOYSA-N 406.555 0.060 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)n1 536972561 CTGKIJJBNQWUPO-UHFFFAOYSA-N 418.479 0.841 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2CCCOC)c1=O 549936123 LZCNKSHLUOOYTQ-UHFFFAOYSA-N 413.503 0.110 30 20 HCED CCNC(=O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 551469703 UJAGREBVYAXFDG-INIZCTEOSA-N 409.450 0.985 30 20 HCED Cn1nnc(CNC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)n1 551481445 XHMUUKUBSCRPRX-UHFFFAOYSA-N 407.438 0.820 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1=O 554149720 BFHDTDVDOONVBL-HOCLYGCPSA-N 415.469 0.862 30 20 HCED CCOC[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)C 554694308 GMMQRRNUJAHHCC-ZWKOTPCHSA-N 400.479 0.953 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1F 564008785 OVTZFVYQXXYBDT-LBPRGKRZSA-N 411.436 0.648 30 20 HCED CCS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 565687251 FRONVWRSCSHEFL-UHFFFAOYSA-N 421.500 0.947 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 570301690 DCGPHYNICGWPJV-UHFFFAOYSA-N 413.459 0.175 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc1 570326108 JYHKAIMABQGPCK-MRXNPFEDSA-N 407.492 0.881 30 20 HCED COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 573737044 GLIBAQDKTIXWIA-UHFFFAOYSA-N 410.433 0.205 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 576204313 NVRRANSQSNFQBP-INIZCTEOSA-N 401.467 0.564 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1 580111235 ZOXWQVZMCRASJZ-UHFFFAOYSA-N 416.873 0.769 30 20 HCED COCCN(C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCOC1 587659717 XJHGSCDBCFWPHD-KRWDZBQOSA-N 401.467 0.302 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 604150171 WNIFHYZRZCEBBX-UHFFFAOYSA-N 405.414 0.385 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 608961719 APYLTZKZRFJSLA-UHFFFAOYSA-N 404.452 0.416 30 20 HCED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 611176221 WIYZXTCMWSLCSD-UHFFFAOYSA-N 423.514 0.190 30 20 HCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NCc2ccc3c(c2)OCO3)cc1 726788645 UGFRMGHCRYTYAR-UHFFFAOYSA-N 405.432 0.772 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2)CC1 729281450 BANSDAOJHZHSFG-UHFFFAOYSA-N 402.470 0.619 30 20 HCED C#CCN1CCC(C(=O)NCC(C)(C)CNC(=O)C2CCN(CC#C)CC2)CC1 732114143 HOVQONBXHCHTIK-UHFFFAOYSA-N 400.567 0.935 30 20 HCED CN1CCN(Cc2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 735848344 IPGFFFNFMBFESL-DQRAZIAOSA-N 411.506 0.967 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742618383 XXNBMXBSVQUKGN-OCCSQVGLSA-N 424.548 0.884 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CC1 747993375 IMPVNXMTAJFQCF-UHFFFAOYSA-N 414.462 0.080 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc21 757596036 UQCYGROGBWUKTL-YPMHNXCESA-N 415.454 0.877 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758067041 FVTZNFRNXOOVPW-UHFFFAOYSA-N 420.494 0.627 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760376225 WNVVXYSOXABHKY-UHFFFAOYSA-N 406.895 0.552 30 20 HCED COCCN(C(=O)CON=Cc1cnn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 764566923 WUGCHMWHUPETMN-KRWDZBQOSA-N 421.479 0.280 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 765352409 PHFQYCKFDGUVPG-AWEZNQCLSA-N 402.476 0.213 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C 766053168 RJKXYNAJEFTNNK-UHFFFAOYSA-N 415.387 0.068 30 20 HCED Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 766254926 KWXUQLWBWOHNNY-NXVVXOECSA-N 401.379 0.793 30 20 HCED C[C@H](CC(=O)N[C@H](C(N)=O)c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 768539787 QAMAVYVULDYPJJ-DIFFPNOSSA-N 418.450 0.986 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 773295468 VXLGNAGSQAYRMT-UHFFFAOYSA-N 400.479 0.650 30 20 HCED COc1cc(SC)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 773301708 JMAIYERLMHSYSB-FOCLMDBBSA-N 404.448 0.998 30 20 HCED O=C(O)CCN(C[C@@H]1CCCO1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776621048 HZQKJLRTQRWPHQ-AWEZNQCLSA-N 423.491 0.988 30 20 HCED COCC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 778873126 LLGDCKCEVBVCMH-UHFFFAOYSA-N 421.475 0.361 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)c1 783453128 HUIAXGUQQIQIAY-UHFFFAOYSA-N 417.429 0.988 30 20 HCED C#CCCCNC(=O)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 806910975 GBSAYTIAQXFXFQ-INIZCTEOSA-N 420.510 0.586 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCNc2ccc(C#N)cn2)cc1 810088211 VZSOXUKWBSBMEK-UHFFFAOYSA-N 416.463 0.418 30 20 HCED C#CCN1CCN(CN2C(=O)N[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)CC1 812282297 UEFGPIMXACPHAE-FQEVSTJZSA-N 405.499 0.516 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 812500469 XNYGXIPHJYMZHH-INIZCTEOSA-N 412.427 0.704 30 20 HCED CN(Cc1ccccc1S(N)(=O)=O)C(=O)C(=O)Nc1ccc(F)cc1OCC#N 815786109 SXFWYBHXZOBLBR-UHFFFAOYSA-N 420.422 0.973 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(F)c2)c1=O 916199274 FVDFPIKWBZYISN-UHFFFAOYSA-N 401.463 0.821 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 920720566 YWKZPZSNFYOWAY-QGZVFWFLSA-N 424.435 0.615 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)n1C 1003542673 KBJDVOVPAUONFC-OCABDXPQSA-N 402.495 0.957 30 20 HCED Cc1cc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)c(C#N)cn1 1051481034 XWIAKDUONLFLFZ-KOCLDHPWSA-N 405.462 0.823 30 20 HCED C[C@@H](C#N)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1115905149 UYRSYQHACKAHFY-ZFWWWQNUSA-N 401.510 0.386 30 20 HCED Cc1cccc([C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N2CCOCC2)c1 1141610342 JWQNEBAHOCOREZ-GOSISDBHSA-N 411.462 0.709 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1163163746 YGAJRXNDQMIZNH-IFXJQAMLSA-N 419.459 0.501 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1223879653 WVAHBHUJXBCBIH-YGTFVGLLSA-N 404.511 0.638 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1COCCO1 1303830071 VDHHSXKROWNJCS-KGLIPLIRSA-N 412.516 0.434 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)CCOC1 1314143872 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VONYVCLAHBQJQV-IBGZPJMESA-N 420.422 0.645 30 20 HCED COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840236739 SUOIDZSPFKRXQB-BEFAXECRSA-N 416.540 0.885 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cc3ccco3)CCO2)C1 1840468132 VZBHOWQSKNSFDL-HMFYCAOWSA-N 418.490 0.953 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840840149 BRHMXIRQGZXIND-HNNXBMFYSA-N 424.347 0.211 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1840894941 XHKXFQUHIBNORM-HRAATJIYSA-N 400.431 0.335 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccc[nH]2)C1 1842015288 HIQGCPOHFOLPLI-MRXNPFEDSA-N 402.495 0.911 30 20 HCED COc1nccnc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299809 SSWOAPOEAVEFHM-URMYYVDKSA-N 403.439 0.831 30 20 HCED COCCn1nccc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300368 AUJWJKVSYMOYDR-ZFJBLLOBSA-N 419.482 0.876 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3c[nH]c(=O)cn3)C2)c(C#N)c1 1844763382 CQOXHMZRJFFQRF-UHFFFAOYSA-N 407.430 0.710 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2cccn2)nc1 1847263727 LDHSAGZDPGCHGG-LUNNPTDRSA-N 420.473 0.941 30 20 HCED CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@H]1CN(Cc2ccccc2)CCO1 409504420 SSDPPRVUJDAQDZ-GBESFXJTSA-N 408.524 0.725 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC 427686888 SVCSMOQOJYAIOJ-VXGBXAGGSA-N 404.423 0.468 30 20 HCED CN1C(=O)C[C@H](C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)[C@@H]1c1cnn(C)c1 428790460 BOPBUYOEOYTIGY-STAGFUQPSA-N 418.457 0.812 30 20 HCED CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C#N)c(Br)c1 432850696 HHVMXDGMIRYGMD-UHFFFAOYSA-N 404.242 0.360 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 439553662 YLFPAWARKWBMFV-OAHLLOKOSA-N 401.467 0.830 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)C[S@@](C)=O)cc1 442021821 IVMXTHODRLXQAH-ZBSNKRKSSA-N 415.537 0.657 30 20 HCED CC1(C)CCCN(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 447430949 KMABOYRQXQJTAZ-UHFFFAOYSA-N 409.494 1.375 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 461308923 PSBBCHIASUDEEL-UHFFFAOYSA-N 416.401 0.645 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC1CCN(S(C)(=O)=O)CC1 462011668 HCVSVLMVEJZKCJ-UHFFFAOYSA-N 417.495 1.241 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N=c1nc(CS(C)(=O)=O)[nH]o1 462278980 KBKVWLWLYYWZOK-UHFFFAOYSA-N 406.468 0.503 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@]12C(=O)Nc1ccccc12 463857272 QJYNYRKADPVSQH-BEFAXECRSA-N 404.492 0.384 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)N3CC(n4cc(C(N)=O)nn4)C3)n2)c(Cl)c1 466889933 FKDQHJSKFNLCTJ-UHFFFAOYSA-N 411.813 1.177 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)ccc21 471062666 SFGAPNBHTZTDBP-INIZCTEOSA-N 424.461 0.444 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCOC[C@H]2C#N)c1 472246424 HKCBLJXCBBUXJX-OAHLLOKOSA-N 408.480 0.198 30 20 HCED Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472993111 LVWUWJWONCQUDV-UHFFFAOYSA-N 402.480 0.518 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(S(C)(=O)=O)CC1 481933317 GTXUYRUSRNSCAD-LRVUVFPRSA-N 413.521 0.697 30 20 HCED COCCn1nnc2c1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 499078643 GTJBWMYJWMRDQK-CYBMUJFWSA-N 418.479 0.048 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502011516 QZEUFAAYKCXDCP-HNNXBMFYSA-N 415.519 0.098 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)CC2)nc1 502531066 ZAMNRXSVVJHPID-UHFFFAOYSA-N 421.461 0.913 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 506574061 AOZRJVOQRIGWDB-HNNXBMFYSA-N 410.438 0.555 30 20 HCED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508706303 OEYLQEUHRPLRQL-UHFFFAOYSA-N 414.514 0.499 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 508884264 GHNCDIABCHNXHV-ZNMIVQPWSA-N 400.549 0.620 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC(=O)NC 508884604 ITLXHYLYZNQDPB-UHFFFAOYSA-N 406.512 0.954 30 20 HCED CC[C@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)NS(=O)(=O)N(C)[C@H](C)CC#N 509428130 BKJRFGZPWYUTDO-RRFJBIMHSA-N 422.577 0.292 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)CCC#N)cc1 510930322 OHKPPYCJPSRBHM-UHFFFAOYSA-N 410.496 0.996 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 516792265 RWGRCUJHSNDMSF-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCS(=O)(=O)C1 518336459 WASJVBRUQHNUDZ-HOTGVXAUSA-N 408.499 0.901 30 20 HCED CN(C)C1CCN(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 519866475 ZUDVRYAQYNSNIC-UHFFFAOYSA-N 410.482 0.220 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)C1=O 520508697 PHNHLMCHYBIHCO-AWEZNQCLSA-N 400.435 0.615 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCOCC 522283707 IQSYUHQDJIRAFE-UHFFFAOYSA-N 400.504 0.761 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 532121302 PUBIYHNDUONXGZ-UHFFFAOYSA-N 415.493 0.548 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c1 541149189 INEQKVRPKHUCJW-UHFFFAOYSA-N 409.450 0.807 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(OC)c(OC)c(OC)c2)C1=O 550492987 CBLJHKZVSAVDFL-AWEZNQCLSA-N 405.451 0.574 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)Oc1ccc(F)cc1 550948607 IJESJXCPGQIFHN-OAHLLOKOSA-N 417.397 0.920 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CSc2nnnn2CC(F)(F)F)CC1 553356475 XDNWMUWVARXVQG-UHFFFAOYSA-N 412.401 0.943 30 20 HCED C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 554150837 NUPKVUOKLWQXOU-BJJXKVORSA-N 401.442 0.566 30 20 HCED C=CCOC[C@H]1NC(=O)N(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 560980965 MORPLUSOSZBAAF-MRXNPFEDSA-N 409.464 0.331 30 20 HCED Cn1c(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C#N)c(=O)n(C)c1=O 561360017 OYRKOQOUQNEWAS-LLVKDONJSA-N 409.493 0.140 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCCN(C(C)C)C3)CC2)c1C#N 574026682 SPESAVWBFGIXJH-QGZVFWFLSA-N 415.542 0.485 30 20 HCED COC(=O)CCCc1nnc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 582517705 XBTGVWMFDKWEPW-UHFFFAOYSA-N 423.476 0.822 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 582518435 RXNWAJTYLYBXGE-QAPCUYQASA-N 416.503 0.838 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CCN2C1=O 588293915 ZRAGTAGRCVFPNC-WFASDCNBSA-N 419.463 0.873 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)cc1 606057197 DICVHCQKAPGMHE-UHFFFAOYSA-N 411.484 0.377 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 615256633 RVRUPRACNMZJIE-UHFFFAOYSA-N 402.451 0.795 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1=O 684920217 KJHJAAVJLPFHNM-MRXNPFEDSA-N 413.521 0.535 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)Cn1cc([N+](=O)[O-])ccc1=O 727001833 JWLDKLCMRVEIFQ-UHFFFAOYSA-N 422.357 0.996 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 728532726 IJLQKFVUHGMERR-OALUTQOASA-N 412.534 0.803 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 728570712 LDQHCRWIOWKQOT-GOSISDBHSA-N 413.522 0.217 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccccc2)c2nccs2)CC1 731031969 PQOMEAAEMCFNAE-FQEVSTJZSA-N 411.531 0.716 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 732466141 LMIQLUJSWWIRQM-ISLYRVAYSA-N 413.434 0.386 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 733150165 CTVGZJJXVAVVMC-UHFFFAOYSA-N 407.474 0.189 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 741343108 ZCYMSIUZMBPHLX-FKEVTRRJSA-N 407.423 0.248 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 743898606 GTKHOCZBMFNETO-UHFFFAOYSA-N 418.469 0.693 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745353526 NCWDQWNUQBMBLP-UKRRQHHQSA-N 412.512 0.836 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748436576 YLBDRYYBDDMYCQ-ZDUSSCGKSA-N 402.451 0.911 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968963 RFKBXTVOBVVACG-OALUTQOASA-N 410.438 0.484 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(N)=O 757896562 GSMUJQXOZMIUFA-LBPRGKRZSA-N 424.479 0.928 30 20 HCED Cc1csc2nc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc(=O)n12 769814830 MCMRIGXBBYPXPB-UHFFFAOYSA-N 418.456 0.958 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1COc2ccccc2O1)c1cc[nH]n1 770814300 YITTWQLDXJMEJS-CYBMUJFWSA-N 402.407 0.992 30 20 HCED CCC(=O)N1CC[C@@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 773229659 PSWYIUKNTWOQSM-CQSZACIVSA-N 403.439 0.305 30 20 HCED COC(=O)C[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 776940834 WMGHMUHRLMPDLJ-IBGZPJMESA-N 416.459 0.715 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 780058515 FXZINGFTZHULCV-DZGCQCFKSA-N 410.434 0.961 30 20 HCED COC(=O)[C@@]1(F)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 781527455 OCUSVBJKPZWJIF-GOSISDBHSA-N 403.345 0.935 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1 783347185 LETFBRDUOFOFBY-UHFFFAOYSA-N 417.509 0.494 30 20 HCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)NC1(C#N)CCC1 787637669 VFLNFWLJMVSGSU-AWEZNQCLSA-N 420.491 0.976 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)n1 789793605 OCFJSAOSAYRJNP-UHFFFAOYSA-N 402.418 0.956 30 20 HCED COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)c(OC)c1 793201193 IXQIAVOVFOVBQU-LBPRGKRZSA-N 407.448 0.806 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(C)C(=O)C1 793921360 UQFWNXNLLRNBCD-HIFRSBDPSA-N 406.508 0.877 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCC2(O)CCOCC2)C1=O 795185906 ZDQGWQDMXVNCTC-CULCSUMMSA-N 420.535 0.992 30 20 HCED C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 800056541 XDNBKTPBCMWTTH-MJBXVCDLSA-N 418.516 0.806 30 20 HCED C#CCN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 802578962 XMTSLUSOWUBIOV-UHFFFAOYSA-N 414.434 0.391 30 20 HCED Cc1nnc(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1C 803174624 MLMAVIXAAAOURW-OAHLLOKOSA-N 418.523 0.936 30 20 HCED 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C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1831405489 CGXVQCSKYGDTMG-FQEVSTJZSA-N 406.483 0.771 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1831426655 MRNCNVUYFVXPOF-IFXJQAMLSA-N 424.885 0.791 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831484795 FBHRMHGZNBPYRF-HKUYNNGSSA-N 408.524 0.430 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)no1 1831499311 TZSBIXFJBCOZGO-PKOBYXMFSA-N 411.524 0.936 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C4=CCCS4)CCO3)C2)c1 1831556395 UUSJEOYXCHSRKI-LJQANCHMSA-N 402.476 0.977 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831857928 NFBUHTFFZZDSKM-KUHUBIRLSA-N 407.471 0.589 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1832047920 ZRHNAWFBYFGVTP-YWZLYKJASA-N 422.482 0.366 30 20 HCED Cc1cc(C)n(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n1 1833036179 ZMOQLZRRCTYAJT-UYAOXDASSA-N 424.567 0.911 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1833477180 MNBQOKZAVIQENK-HOTGVXAUSA-N 419.530 0.397 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1833705201 PZBXXKMVMASNQX-UHFFFAOYSA-N 406.556 0.769 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2)C(F)(F)F 1833817346 PQYZOQBKEHMYGB-KRWDZBQOSA-N 414.384 0.974 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1OC)CCO2 1834132100 DMXCMUVGBLCNRO-OAQYLSRUSA-N 401.463 0.964 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834677270 ZNAFZFKOYFNYOI-SFHVURJKSA-N 404.559 0.809 30 20 HCED CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834755687 IYQHHNXIYWJGID-CSODHUTKSA-N 421.494 0.726 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COCc4ccccc4)C3)C2)CC1 1835343129 YYKMMSQIOQGYOJ-JOCHJYFZSA-N 413.474 0.963 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1835353962 HYCFFQUTPOHZPL-NRFANRHFSA-N 424.461 0.641 30 20 HCED C[C@@H](CN)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767694 MJMWVLPYMIMBAE-ZPYCQHKQSA-N 423.558 0.682 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3sc(N)nc3c1)CCO2 1835787840 XOHALQCJKHLYJX-LJQANCHMSA-N 400.460 0.582 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCC(=O)N4)CC3)CC2)c1 1836169777 ZMDWIXKYCQMWRY-KRWDZBQOSA-N 412.494 0.350 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836884518 LEMZUTTZAHYLLX-NRFANRHFSA-N 409.446 0.213 30 20 HCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1837330085 VWXGAUUAGDZYQH-IBGZPJMESA-N 421.523 0.712 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1837385883 WNTDBOMIPYSQKZ-FTRWYGJKSA-N 410.515 0.363 30 20 HCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)co1 1837441174 VPBAHNXQQOYLST-XACCNFBGSA-N 419.482 0.525 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1837442341 WGSITDTTZJBACC-ZTBJCTOSSA-N 420.432 0.867 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444002 OPIVXAFFYXXKOJ-RVNBFGHRSA-N 424.542 0.728 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1)C(F)(F)F 1837590579 OBUUAINIEKHNBH-QGZVFWFLSA-N 416.400 0.836 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1 1837661882 VPMHEEBHAZZLLA-KKSFZXQISA-N 409.527 0.947 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837698787 RVGRYAFDNVRWNM-NJNPRVFISA-N 419.522 0.902 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)C1 1838694193 SIOKFUNHMVXYKQ-IIBYNOLFSA-N 418.494 0.641 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cnc[nH]3)CC2)CC1 1838774278 XNQMGFFVFQQFSF-OWOJBTEDSA-N 400.435 0.510 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nc2nccn12 1840163322 GFIJHBCKMGGXCZ-IFXJQAMLSA-N 419.507 0.426 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840204444 QPXSZTPEHCXULK-JTSKRJEESA-N 415.490 0.982 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cscn1)C2 1841054409 WIEWZOYUNWELFX-XVWMLYKFSA-N 403.508 0.075 30 20 HCED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1841137910 AUNXAPFQBBYUBN-UHFFFAOYSA-N 401.492 0.645 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CSC(=N)N)C3)c(C#N)c1 1845138479 GGROQTCLTJLUAM-UHFFFAOYSA-N 401.492 0.939 30 20 HCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846298654 ZYJVYNACKHXDAK-OAHLLOKOSA-N 419.478 0.971 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)C2(C#N)CC2)C3)C1 1846411238 OCNGGHJFDUYFLH-NRFANRHFSA-N 418.494 0.865 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c(=O)c4ccccc34)CC2)cc1 10452276 KBDNMKCNGGUOPO-UHFFFAOYSA-N 423.454 0.941 30 20 HCED CCCNC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 57297229 JZJFJIIOEWUWPZ-UHFFFAOYSA-N 407.496 0.490 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCCNS(=O)(=O)N(CC)C[C@@H](C)C#N 409538534 XERFSQAAZRRDIO-GASCZTMLSA-N 422.577 0.008 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)CCO1 409591024 IDQYINNOXACTIV-GOSISDBHSA-N 406.508 0.623 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 410179195 QSTFBVVIYQKDIW-OAHLLOKOSA-N 410.452 0.461 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)OC)cc1 439430660 JQVAETONMQXIAF-KRWDZBQOSA-N 423.491 0.604 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 439552724 VWQATJFDSWXWRZ-ZDUSSCGKSA-N 424.479 0.463 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)n2)c(Cl)c1 440958056 WHDSSYNWEOSUJF-TZMCWYRMSA-N 414.853 1.496 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@]4(CCO[C@@H]4C)C3)CC2)o1 447820294 GIUJSCLHGFZTTE-MDOVXXIYSA-N 403.483 0.772 30 20 HCED CCNC(=O)C(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 448348161 HXBZWUNLFBMRQP-UHFFFAOYSA-N 421.523 0.736 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOc1ccc(C#N)cc1 460582734 DHXHRUMDMSTLHA-UHFFFAOYSA-N 415.413 1.453 30 20 HCED C=CCN(CC(=O)NCc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 467137509 LHDRWKIUOQZCDX-HXUWFJFHSA-N 421.563 0.810 30 20 HCED C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468031361 VOIRVCSPIWIZMB-CBFGRJNTSA-N 422.485 0.753 30 20 HCED C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 468478852 KYTVHBCBZRPKNP-HNNXBMFYSA-N 407.492 0.975 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)Cc2noc(C)c2C#N)C1 473283928 SAHXDRPYYYWZND-ZDUSSCGKSA-N 400.439 0.903 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 479820375 UDWMUSBLNUHNSS-PBHICJAKSA-N 420.491 0.075 30 20 HCED COCCOc1ncccc1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 498375347 PEHLHXKWDNJIHW-UHFFFAOYSA-N 418.475 0.915 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)C1=O 499133577 ARDSQXXYVNCBPT-UHFFFAOYSA-N 412.324 0.894 30 20 HCED CCOCCOC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500374841 ABJJGJLPQWMHPC-ZDUSSCGKSA-N 414.256 0.789 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)Cc3cc(C#N)ccc3F)cn2)CC1 500933784 DUGXYCVPSHOPLI-UHFFFAOYSA-N 420.470 0.610 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 503051394 WBXJVPPVCWSIJF-UHFFFAOYSA-N 417.491 0.786 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 506762165 ORIHPMOEKANJRB-DGCLKSJQSA-N 410.500 0.282 30 20 HCED COc1ccc(S(=O)(=O)N[C@](C)(C#N)CSC)cc1[C@@]1(C)NC(=O)NC1=O 508000997 UNVJARPUVQPHRN-HZPDHXFCSA-N 412.493 0.673 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H](C)C#N)CC2)c1 512482233 CXERMQZZCDMAQI-OAHLLOKOSA-N 424.523 0.628 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)c1 517116437 NEFXVIITNPYYDG-UHFFFAOYSA-N 419.445 0.770 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c(F)c1 523234209 ZSJNTFCNQCZNBU-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CC(C)Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1 532032439 DBHNCFGVXNDRIL-UHFFFAOYSA-N 424.526 0.375 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN(CCO)CCCO)CC1 532559178 LHXPPGHFOYJHSH-UHFFFAOYSA-N 403.439 0.132 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccnc2N2CCOCC2)n1 536981874 FCUNHKYKWYIUBY-UHFFFAOYSA-N 411.466 0.996 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539367969 FLWLCJJJNPNZKW-MAUKXSAKSA-N 410.515 0.899 30 20 HCED CN(CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)S(=O)(=O)c1ccc(C#N)cc1 549143024 SDNNSLWYRUWPCV-QFBILLFUSA-N 421.519 0.863 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3nnc4n3CCC4)C2=O)cc1 550186420 RZJLMEMZOKKRTD-HNNXBMFYSA-N 407.434 0.024 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)CCO1 558564934 GJEUGYAVKHIKIQ-MRXNPFEDSA-N 418.479 0.323 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cnn(-c2ccccc2)c1 559514002 MUKDRHVPDIXJFR-UHFFFAOYSA-N 406.450 0.757 30 20 HCED C=CCSCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 560671429 RSGRORYJOFCFCE-UHFFFAOYSA-N 404.536 0.877 30 20 HCED COc1ccc([C@H](CNC(=O)NCC(=O)NCC#N)N2CCOCC2)cc1OC 561422053 TZHWVMMXBRPFBO-HNNXBMFYSA-N 405.455 0.016 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2[N+](=O)[O-])CC1 564871440 HRTCRHDWNGWHQU-LJQANCHMSA-N 402.455 0.837 30 20 HCED N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1F 583016846 MDJYONXVBJNOKM-UHFFFAOYSA-N 421.410 0.928 30 20 HCED N#Cc1cccc(C(=O)NCCC(=O)N2CCN(C(=O)c3cccc(C#N)n3)CC2)n1 589469773 RJNRJDULLYJRPT-UHFFFAOYSA-N 417.429 0.324 30 20 HCED N#Cc1cnn(-c2ccccc2NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1N 590544322 TWHNONLJJPSPDC-HNNXBMFYSA-N 423.477 0.445 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609086674 RLMHLDVMWWDMCP-UHFFFAOYSA-N 423.420 0.767 30 20 HCED CCc1nc(CN(C(C)=O)[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)no1 611091386 SZJHIRIBCFFKPW-QGZVFWFLSA-N 424.461 0.883 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccc(CC#N)cc1 613144402 TWVUTAWADZAJLJ-IRXDYDNUSA-N 409.508 0.118 30 20 HCED CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 615632186 NFVJQORNPVWHHP-HXUWFJFHSA-N 401.442 0.753 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 619762670 HHFBVWPSDCREMJ-UHFFFAOYSA-N 419.507 0.999 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 728573060 JFZOSAXGFLHUFM-UHFFFAOYSA-N 420.535 0.793 30 20 HCED CC(=O)Nc1cccc(OCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 729382548 XYPLMXCKJUJBSZ-UHFFFAOYSA-N 416.459 0.879 30 20 HCED N#C[C@H](C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCS(=O)(=O)CC1 732909889 HJAIBTQHMZYKIE-CQSZACIVSA-N 417.403 0.360 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738856289 SOKISKOYNXNFEI-CYBMUJFWSA-N 400.435 0.687 30 20 HCED CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 743918490 SFIVLWBMMUYFMU-YPKPFQOOSA-N 420.447 0.814 30 20 HCED C[C@@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743997217 ZLNVVPHQGGLVJP-JEEMYIIMSA-N 410.496 0.573 30 20 HCED C[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(=O)NC1CC1 745497830 TVLZKHIKXZGCEB-MNOVXSKESA-N 422.463 0.424 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)NC(C)C)ccc1F 746376124 SWKTZBJTWPUNDM-UHFFFAOYSA-N 407.489 0.348 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2cc(S(N)(=O)=O)cn2)C1=O 748557387 IGHWEQKLAKCLDW-MRXNPFEDSA-N 414.488 0.233 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](C)(O)C2)c1 749774216 OKMOVIBUGCNHRD-KETZHDHUSA-N 408.480 0.421 30 20 HCED CCOC(=O)c1sc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)nc1C 750641385 TZUOOBDORWHDKR-FYWRMAATSA-N 407.452 0.954 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CS[C@H]3CCS(=O)(=O)C3)C2=O)cc1 754706291 FVQRAZKRUJSAIL-JKSUJKDBSA-N 407.517 0.696 30 20 HCED COC[C@@H](C)NC(=S)NN=Cc1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-] 755527314 VTIONFZUJPDAGH-SECBINFHSA-N 400.413 0.900 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755538748 TVQHIIRQWHOODT-UKRRQHHQSA-N 415.450 0.860 30 20 HCED O=C(O)Cn1cc(/C=C\C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 759085330 VLXSYKBZALQWGV-PLNGDYQASA-N 406.420 0.280 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC3(CO)COC3)CC2)cc1 761847855 DFERJCWODGEMCO-UHFFFAOYSA-N 411.480 0.811 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 762584036 IEENVDQTSYSNNJ-UHFFFAOYSA-N 415.425 0.944 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccnn2C)cc1 762699648 PDLUHDWZTWEXPJ-UHFFFAOYSA-N 405.480 0.524 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccn(C)c2)c1=O 763434017 HUCVJHJQVBQNNF-UHFFFAOYSA-N 416.547 0.950 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@H]2CCOC2)CC1 771040554 KUINCPWPGPMFFS-HNNXBMFYSA-N 406.508 0.485 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc[nH]n1 772431109 BWZWJZYBBHBMCD-NSHDSACASA-N 419.360 0.363 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776447599 KRNHDUCBHLNEPC-LBPRGKRZSA-N 406.395 0.989 30 20 HCED C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 780232294 KLHLTROFSMLMPK-UIRSRIPUSA-N 422.507 0.667 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 783014527 VGIGCTDAQRPKOF-CQSZACIVSA-N 415.516 0.595 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCCO)C2CC2)c1 784799903 TXULECJVAGANHE-HEHNFIMWSA-N 422.507 0.811 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)c1=O 793678912 QOYUHNQCBSIDIM-LBPRGKRZSA-N 404.389 0.543 30 20 HCED C#CCCN1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 798323153 MNJJANHXAOTTQS-UHFFFAOYSA-N 400.298 0.878 30 20 HCED C=CCN1CC[C@H](OC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 798622963 ICJUDXCMBULQPH-SFHVURJKSA-N 421.519 0.631 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)CC1 799612909 GNJICHWOGYHUMU-KRWDZBQOSA-N 422.595 0.508 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H](C#N)C(C)C)ccc2F)CC1 800931605 WKIBPEVOOJJYSN-INIZCTEOSA-N 410.471 0.956 30 20 HCED CCN1CCN(c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cc2F)CC1 805823265 FDQWQVJLDCTLEK-UHFFFAOYSA-N 400.462 0.930 30 20 HCED COc1ccc(S(=O)(=O)Oc2ccc(F)nc2C#N)cc1[C@]1(C)NC(=O)NC1=O 808345823 MGHCACRRQUWXFW-KRWDZBQOSA-N 420.378 0.923 30 20 HCED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)n(C)n1 809872172 USJALHBZETUNRB-MRXNPFEDSA-N 410.482 0.309 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2c(C)nn(C)c2C)cc1 811833422 BVHDNIALWDHPSO-UHFFFAOYSA-N 404.448 0.744 30 20 HCED CN(C)C[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 813376007 BZUWXJGZZXMIAR-KRWDZBQOSA-N 414.915 0.935 30 20 HCED C[C@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 815266623 QEDOHCNGAPQNFU-CMPLNLGQSA-N 414.871 0.997 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O 888891399 FCTGIOYOOUPIGR-GLIABKTBSA-N 408.455 0.821 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CC(=O)NCCOC)C1=O 914552542 CVSMGPBYYNMXJW-AWEZNQCLSA-N 410.471 0.964 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc(C)s2)c1=O 917769265 ZKXBJMBCBLHWDR-UHFFFAOYSA-N 404.517 0.447 30 20 HCED C=C[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1116622689 FKRXBXCOABQXHX-INIZCTEOSA-N 409.508 0.617 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@]2(CC)CCN(C(=O)OC(C)(C)C)C2)CC1 1118155774 VFFFZZUFNLYYRU-OAQYLSRUSA-N 406.527 0.917 30 20 HCED CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1291795150 OMYHAFMXPXAMQO-HUUCEWRRSA-N 403.487 0.548 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)c(OC)c1 1300076059 BGZUYDAAKNUSLK-AWEZNQCLSA-N 421.479 0.736 30 20 HCED CCCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1313495457 OTMMXULQNCGKRN-GOSISDBHSA-N 408.510 0.967 30 20 HCED CS(=O)(=O)C1(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1316337670 UFFXHHNJURQXED-CQSZACIVSA-N 417.495 0.821 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1318453306 XYWBFBCTVLARHO-BMRADRMJSA-N 408.436 0.125 30 20 HCED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C)c3=O)cc2)cn1 1321540027 JLCKQEXZNCKJCL-UHFFFAOYSA-N 405.483 0.629 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c2OC(C)(C)C3)CC1 1339914417 NLSPWJIZBHEUBE-UHFFFAOYSA-N 405.520 0.846 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2c(C#N)c(C)nn2C)c1 1437521947 LBGJVWKQKUOSKT-UHFFFAOYSA-N 406.468 0.431 30 20 HCED CC(=O)N1C[C@H]2CN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]2C1 1455204570 NHUIVBQDUQOXQM-AEGPPILISA-N 404.492 0.440 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)cc(C#N)c1 1464054666 WZJPZDNLFXJZHL-RYUDHWBXSA-N 409.283 0.411 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1501190725 LHXQNVMCGJSCBS-MRXNPFEDSA-N 416.507 0.966 30 20 HCED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1517813059 OSNGDWJPFYAXST-HZSPNIEDSA-N 400.505 0.288 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)CCO1 1521129778 OEMZQESEIKWLSH-IRXDYDNUSA-N 423.477 0.664 30 20 HCED CN(Cc1nnc2n1CCNC2=O)C(=O)COc1ccc(C#N)c(Br)c1 1651893118 UBGHLWMERZWIRH-UHFFFAOYSA-N 419.239 0.693 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1C#N 1662465227 JRLWTCIECORQTN-CYBMUJFWSA-N 400.478 0.688 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1683752980 UZHNRADKTSZCJN-SJORKVTESA-N 420.491 0.730 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1692747088 XJVMGWOHJJUECZ-AWEZNQCLSA-N 414.495 0.978 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1706865267 YEAWZLTXIPPCNO-OGHNNQOOSA-N 412.516 0.168 30 20 HCED COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1749326562 YGHDMCSRLLUGCZ-IAGOWNOFSA-N 417.514 0.352 30 20 HCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1766246907 SGBHUCOMBPDDBM-UHFFFAOYSA-N 419.511 0.328 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1779063357 VZFAFCDUSZLKTK-JOCHJYFZSA-N 414.458 0.782 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1779106977 QORGAGDLVBGJJZ-KPYADVPTSA-N 423.510 0.896 30 20 HCED N=C(N)SCCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137208 IVYWUUHYOSDEBC-VMHWHBCQSA-N 407.496 0.545 30 20 HCED N[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccn1 1779137493 ORQCEHLVSDKKHW-OMJZWIOZSA-N 411.462 0.623 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779141539 ZVCBXUJLDCSKPE-FAKCTINISA-N 418.494 0.833 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779218661 AJBAVKVEWPUQEL-IIBYNOLFSA-N 408.462 0.930 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc5cccnn5n4)C3)C2)c1 1779963515 ZXPRIMYGPZJMFK-HXUWFJFHSA-N 405.418 0.686 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331356 RRJUFFCCNNVRFD-UGSOOPFHSA-N 408.480 0.011 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1780593043 PHOIQOGCUVHFAM-JOCHJYFZSA-N 419.441 0.809 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)c1 1780598435 PYFLXOXXZOHSQV-GOSISDBHSA-N 424.379 0.680 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781028765 FHLJXBITUNOAKT-FQKOBMELSA-N 422.526 0.830 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1781271681 HDNLDSQTAFKAAX-SFHVURJKSA-N 423.495 0.236 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781341752 UWBIVOPEEOCEHV-KKSFZXQISA-N 423.510 0.505 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781391457 SZRDEAVIMWBDDI-KBXCAEBGSA-N 422.442 0.422 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1781397048 TUAKZGUIVQAKQU-MGPUTAFESA-N 417.466 0.651 30 20 HCED COCCn1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)S)C2)n1 1782179946 OPDHDPMJGYRNGV-IDHHARJASA-N 410.540 0.975 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1783162507 LUIRQMQCKMNFIF-IIBYNOLFSA-N 412.446 0.146 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21 1783535231 DIYGQJDCQZDULZ-BJMLIQPHSA-N 405.495 0.251 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CSCC(=O)O)C3)C2)c1 1783960340 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PBIOATCPSDMITJ-KUHUBIRLSA-N 404.492 0.723 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1840161538 STHAFVWTFOEKPM-RBZFPXEDSA-N 419.503 0.570 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840173865 VNDLVUOKPWGCAM-LEWJYISDSA-N 415.446 0.754 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnc(Cl)c4)C3)C2)CCC1 1840813295 RLYBZOFFZMTKJM-IBGZPJMESA-N 419.869 0.894 30 20 HCED CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)c1ccc(F)cc1 1846196398 UNWOXGUCJLLFSL-GOSISDBHSA-N 401.394 0.294 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 409510800 UTWYTDOYYWANIA-UHFFFAOYSA-N 404.514 0.133 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 409516917 JMCOZCCXOAWWPR-CABCVRRESA-N 420.491 0.710 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cn1 409728288 OPCAEDDHCYOTKC-UHFFFAOYSA-N 406.450 0.871 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)CCO1 410161167 XPGSQCQOUUZMNP-GXTWGEPZSA-N 423.413 0.795 30 20 HCED N#CCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 427626573 QOTSMGMJTLXJOL-NSHDSACASA-N 406.386 0.648 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)nn1CCC#N 436558020 WAFDOKKDRNNVOX-UHFFFAOYSA-N 410.434 0.734 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 464624971 RRAFSCZCVKJCSP-IEBWSBKVSA-N 420.535 0.748 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 465066178 QIOSOWJMRRURAN-GOEBONIOSA-N 415.537 0.599 30 20 HCED COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1OCC(N)=O 465128740 KVDDAWPVPLUTRE-ZDUSSCGKSA-N 410.434 0.572 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)CCN1Cc1ccccc1 465947262 GKFHKWXBIGNIJS-VQTJNVASSA-N 412.538 0.993 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccncc2OCC(F)(F)F)C1=O 466649627 BIMCHFQQQAPTQO-UHFFFAOYSA-N 400.313 0.616 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 478844899 STISERRKYYOOFJ-UHFFFAOYSA-N 423.473 0.897 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)Nc1cccnc1 481264820 KWJXTXYCQXTPNV-ZDUSSCGKSA-N 401.448 0.765 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](CC(N)=O)c3ccccc3)n2)cc1 486369525 GIYHTFSNWRGIBK-QGZVFWFLSA-N 417.429 0.869 30 20 HCED N#Cc1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1Br 487936349 REOVZTBFVHGJRM-UHFFFAOYSA-N 419.243 0.684 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 488147955 LJRZMHIKFMEYCO-AWEZNQCLSA-N 411.528 0.422 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)C1=O 495268460 XDIURRDSBHOHKH-AWEZNQCLSA-N 400.439 0.101 30 20 HCED CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 498738832 NOOWTBAIXUZERF-UHFFFAOYSA-N 409.494 0.856 30 20 HCED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CCCS(N)(=O)=O 507548236 HYZATVVLBQZIPG-UHFFFAOYSA-N 400.482 0.495 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 509218502 PGSDKIMTRZXKJU-SECBINFHSA-N 400.935 0.748 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCOC1 512726532 XYHMEZAKXCCFJC-CQSZACIVSA-N 415.519 0.192 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C 512790208 IQSLUIKKNMZWSS-UHFFFAOYSA-N 409.870 0.895 30 20 HCED C=CCN1CC[C@@H](N(C)c2nc(OC)nc(N(C)[C@@H]3CCN(CC=C)C3=O)n2)C1=O 513060546 XPDXSMIJJVCHHA-HUUCEWRRSA-N 415.498 0.326 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 515322247 VSGJHTLFQWIJLN-GFCCVEGCSA-N 422.385 0.444 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)CC1 521272463 CJHUCRRJEIKOGC-SFHVURJKSA-N 419.551 0.649 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)n2)cc1 531159199 CCJMMXWBRVBUNT-KRWDZBQOSA-N 421.461 0.750 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)c(OC)c1 536378614 NWSKCJNABHWVMA-CYBMUJFWSA-N 403.482 0.760 30 20 HCED Cn1c(=O)c2cc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cnc2n(C)c1=O 551773098 NWJFGKREKUVLGO-UHFFFAOYSA-N 418.413 0.248 30 20 HCED COCCN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1=O 553872931 XVZHOMJBDWSTMI-UHFFFAOYSA-N 402.270 0.800 30 20 HCED C=CCOc1ccc(CNC(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 553898755 CSTXAMZTYDZEEM-HOCLYGCPSA-N 409.508 0.990 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)ccc1Br 559643322 IRNCRCACRRCBES-AWEZNQCLSA-N 422.283 0.715 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)n1 566040184 ZSNAGCHNMXNHJP-UHFFFAOYSA-N 406.402 1.380 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3cccc(C(N)=O)c3)CC2)c(F)c1 566988725 ZDKSKJNERDGDDE-UHFFFAOYSA-N 409.421 0.761 30 20 HCED CCNC(=O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 567457008 SZZBUNKYNSHCNU-KRWDZBQOSA-N 423.477 1.044 30 20 HCED N#Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cnc1C(F)(F)F 571064774 FRUWWTPQDACDOP-OLZOCXBDSA-N 418.397 0.200 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCC3CCN(C4CC4)CC3)C2=O)cc1 579636344 HUXCGOGAGRYTKM-HXUWFJFHSA-N 423.517 0.766 30 20 HCED COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 586848173 BUTFPUMKZHPJAO-UHFFFAOYSA-N 408.462 0.939 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 587703975 LKISENSHRCLSGK-PAZMTAOXSA-N 413.430 0.687 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@@H]2C(N)=O)nnc1-c1ccncc1 610217004 AINQTGCAZWHAGB-CYBMUJFWSA-N 415.479 0.804 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 610684286 IMYOVSMWVXUUOW-DLBZAZTESA-N 412.542 0.737 30 20 HCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc12 610700704 ZWXUDFRWAHIQKX-GFCCVEGCSA-N 419.449 0.614 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 615256635 RWIGJTADIGLVGJ-UHFFFAOYSA-N 412.468 0.273 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 728571235 ZILMORGXXZDUME-LJQANCHMSA-N 402.470 0.093 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 729257243 XZWWKXIXAYGSNA-INIZCTEOSA-N 400.454 0.462 30 20 HCED C=CCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 743876200 WAJVPDFVEGSUPZ-UHFFFAOYSA-N 402.423 0.602 30 20 HCED COC(=O)c1ccc(OC)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 747268702 WTBSPNJQKMPHBY-FOCLMDBBSA-N 409.420 0.287 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(N)=O)C2)cc1 747977274 NECDLFOXHPDDLG-HGVMIPIXSA-N 409.468 0.217 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)CC1 748816637 IKJJRKPBZIVLQX-PMACEKPBSA-N 403.571 0.076 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)Cn1cnc2c(N)ncnc21 750504816 BNHLJIOUMAQRRK-UHFFFAOYSA-N 417.389 0.648 30 20 HCED Cc1nn(-c2ccccc2)c(COC(=O)CNS(=O)(=O)c2cn(C)cn2)c1C#N 756451833 KFNCUKAYKZZJJL-UHFFFAOYSA-N 414.447 0.808 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761227306 ZUMIESCUHRYMCL-UHFFFAOYSA-N 416.411 0.905 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)O)[C@H]1CCCOC1 762237638 LVCWEXQOPNEDBE-LRDDRELGSA-N 409.464 0.501 30 20 HCED C#CCCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 762298911 PCJXORVEBOXOIZ-UHFFFAOYSA-N 420.535 0.287 30 20 HCED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)NCCC#N)CC1 766194725 WBHMXZVPHUJUDG-UHFFFAOYSA-N 400.888 0.685 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2ccccc2C#N)CC1 766386399 GXYHJGKXWOPXCU-UHFFFAOYSA-N 401.467 0.848 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](CO)OC[C@H]1C 768999555 NLEFGOCYQJLISM-FMKPAKJESA-N 409.508 0.748 30 20 HCED CCOc1ccnc(N2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 769341390 SRGPCRZESLNIPF-VHEBQXMUSA-N 414.466 0.831 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771440485 WCVKEWPHUQXQQI-LJQANCHMSA-N 418.406 0.017 30 20 HCED NC(=O)c1c[nH]c(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 771725775 QMWSBAYDFGDJQC-UHFFFAOYSA-N 400.420 0.835 30 20 HCED CN(Cc1ccc(OCC(=O)O)cc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 774061207 GMCQDNIJCCSGGP-UHFFFAOYSA-N 417.443 0.847 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)Cc1ccccc1C#N 777286113 RYVVBYCVAXELFV-UHFFFAOYSA-N 410.452 0.145 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(C)(CO)CO 780993504 QTSYSJVSQVLCSL-OAHLLOKOSA-N 411.524 0.733 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(N)=O)c1 782681765 WZNJUAJBTLUXJS-JWGURIENSA-N 423.495 0.210 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 783475946 SKMDMJODBNWDDF-MAUKXSAKSA-N 419.503 0.499 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 785767517 OSNTVAAKDGMENC-QGZVFWFLSA-N 410.430 0.978 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)Nc3cccc(S(C)(=O)=O)c3)CC2)c1C#N 788274492 ICGJBOFRQNXLQD-UHFFFAOYSA-N 416.507 0.764 30 20 HCED CCCN1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 788553768 NAPWRXQLDFORQY-CQSZACIVSA-N 406.508 0.975 30 20 HCED C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)n1 788824863 AFLKDXFFINOVCA-UHFFFAOYSA-N 404.492 0.791 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)n1 789788737 PFZUHPPNTSOMTH-UHFFFAOYSA-N 424.461 0.660 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)nc2)CC1 791053711 NFGMTTCRKMOLRR-AWEZNQCLSA-N 414.491 0.750 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 796184040 JHWLUMVOBLJACK-UHFFFAOYSA-N 414.505 0.830 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 807381095 CNDCKIFJZCRUSS-UHFFFAOYSA-N 421.475 0.774 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274024 RNFLEAGUUPKMMF-UHFFFAOYSA-N 407.446 0.795 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1)c(=O)n2C 813211231 GKRKMOSGBCQNOT-JTQLQIEISA-N 406.324 0.724 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 815849335 QQEFYXYMWGRTHU-GJEKEPIOSA-N 408.480 0.685 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 816714887 ZIPOKTFCUYPADW-UHFFFAOYSA-N 407.477 0.627 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccccc3S(N)(=O)=O)NC[C@@H]2C1 849077384 FTGOQXASCBPZGF-CQSZACIVSA-N 409.512 0.715 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1CCN(c2ccc3nnnn3n2)CC1 904497219 AEFRBWGHDRPTKP-SFHVURJKSA-N 400.443 0.333 30 20 HCED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)nn1 1006328490 JGOMBLMZFQBASR-YCCFLXJFSA-N 400.483 0.618 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 1116402199 ZEQQSVWWXSJMSC-QGZVFWFLSA-N 405.524 0.099 30 20 HCED CC(C)(C)OC(=O)NCC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)COC1 1167449756 ZURDTOAXZDWLFB-UHFFFAOYSA-N 424.479 0.135 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1(CS(C)(=O)=O)CC1 1286970607 PSBLRFBHPGOHIX-AWEZNQCLSA-N 408.528 0.821 30 20 HCED COC(=O)c1cccc(CN2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1C#N 1307771194 ZSHMIFUYZWJGID-UHFFFAOYSA-N 414.509 0.435 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1314531439 PDRDKQFBHKLAQO-IBGZPJMESA-N 416.507 0.953 30 20 HCED CN1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1314927440 KRXUDWLYFBNERA-JXFKEZNVSA-N 400.458 0.803 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1nnnn1C 1337433817 IIMPQFBWCPXQQM-YPMHNXCESA-N 405.484 0.685 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC(O)(CC#N)C2)cc1 1447924769 RCRFGCIUYMLWAB-WBVHZDCISA-N 407.492 0.421 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1505325882 UTDBMTIBSIHHSL-IAGOWNOFSA-N 416.507 0.817 30 20 HCED N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CCO1 1521137925 UXJYNWDAHWBHTD-CRAIPNDOSA-N 409.512 0.289 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c1 1540583537 YPMHAWUYGXEKOW-STQMWFEESA-N 402.398 0.825 30 20 HCED C[C@@H]1CCCN1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1544250104 MUTOOGVKKKMWMG-PMPSAXMXSA-N 408.528 0.393 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)cn1 1558225943 JZQJWWVWDLSUBL-UHFFFAOYSA-N 418.454 0.500 30 20 HCED CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1561925600 MZRSTGNXIOPXCV-ZDUSSCGKSA-N 412.269 0.679 30 20 HCED Cn1ccnc1[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1 1563660586 JTTYWJXCFZRLFL-HNNXBMFYSA-N 411.397 0.782 30 20 HCED COc1cc2c(cc1S(=O)(=O)N1CCN(C3CC3)[C@@H](C#N)C1)C(=O)NCCC2 1665513190 PGBRLTCSPRGYAJ-HNNXBMFYSA-N 404.492 0.732 30 20 HCED Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1707613206 KWVZCZYFRYYVAL-WBVHZDCISA-N 416.507 0.855 30 20 HCED CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729610128 JPMGTXGFBXKFTB-MRXNPFEDSA-N 411.514 0.627 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1 1760307294 PBGWUFNYERFCSB-VXGBXAGGSA-N 400.277 0.989 30 20 HCED CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1766866264 YDCQXGLGHQDNCS-CQSZACIVSA-N 408.528 0.789 30 20 HCED CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1767358975 SGXAHSMYRYUPBM-NEPJUHHUSA-N 401.393 0.452 30 20 HCED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@@H]1C 1771113277 PDJFHWHNFRBUNH-DNVCBOLYSA-N 406.487 0.307 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2C[C@@H](O)C2)C1 1778764683 NLEHTMGSEBDUNK-LMFXEZDMSA-N 423.510 0.800 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1778967688 MHFRNWXIUUPGTD-IERDGZPVSA-N 403.479 0.402 30 20 HCED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1O 1779134162 CGSPMMFAWVMHQE-DKLCPLSMSA-N 401.423 0.281 30 20 HCED Nc1n[nH]c(CCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)n1 1779239135 QTIMYQIIGKVXJV-FOIQADDNSA-N 400.483 0.247 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779627891 NNGOTORYSXMPHT-OPAMFIHVSA-N 423.473 0.954 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](C)NC(C)=O)CCO3)c1 1780172096 AVAMEOZXAVLQQQ-SZNDQCEHSA-N 414.462 0.535 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CSCC(=O)O)C3)c1 1780181926 YIDOMJDDLPONEW-DNVCBOLYSA-N 420.491 0.832 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1Cl 1780191998 ONIHWCJLHDMILK-SFHVURJKSA-N 415.841 0.342 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)c1 1780597336 JRHNTNNBYJINJC-FQEVSTJZSA-N 409.402 0.517 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1)n1ccnn1 1781966994 NQIWGQJRSOIURI-JLTOFOAXSA-N 412.425 0.994 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3cncn3c1)C2 1782010247 IXNNGTOPRCPPMN-DYESRHJHSA-N 410.430 0.550 30 20 HCED O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CN1 1783161270 OSMVVZGECRMUCX-VHZXSOCGSA-N 417.487 0.453 30 20 HCED COc1cc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1783562531 AMZIRMBYRCANRJ-LJQANCHMSA-N 408.357 0.505 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(N(C)C)c3)[C@H]2C1 1785552663 QSDXKLAXKYWUSA-FVCZOJIISA-N 414.506 0.779 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@H](NC)C(=O)O)C[C@@H]21 1788523706 BXLXDDNTIMSGST-TXTZMMAHSA-N 407.511 0.797 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)OC(=O)OCC)[C@H]2C1 1790606838 XKVHSINJDUFXJN-WOYTXXSLSA-N 410.467 0.566 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790910869 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C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)c2cnc(O)nc2O)[C@@H]1c1cccnc1 1813036814 INRVPEYDDURKRT-VHRBIJSZSA-N 403.464 0.921 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)CCNC(C)=O)[nH]n1 1814439234 DFVZVOFOQSSJTO-XITLMJRVSA-N 416.482 0.786 30 20 HCED CC(C)n1cnc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)n1 1817688162 JHIIUJJJNXQYAL-SNVBAGLBSA-N 402.436 0.629 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc[nH]c2[N+](=O)[O-])n[nH]1 1818078467 GHRNMMXMJGOVMZ-JTQLQIEISA-N 401.339 0.435 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2C(=O)C=CC2=O)CC1 1824496439 WUOIEPIPKMLJGV-AEFFLSMTSA-N 415.490 0.569 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3c1OCCC3)CC2 1825670079 BJDSQEUAFXLGAB-JTQLQIEISA-N 415.431 0.436 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OCC)CCO2 1829544848 APOPIVWRRXJCRB-NRFANRHFSA-N 401.463 0.964 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C(F)(F)F 1829861509 MAMSWAYGVSTFIB-PBHICJAKSA-N 421.416 0.476 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830960616 XBIQUZZMTSLWNP-NRFANRHFSA-N 418.494 0.458 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831098417 MOKNOYCXTIDIOW-DENIHFKCSA-N 421.538 0.213 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216024 FCCCCPCNWGGSND-IERDGZPVSA-N 413.478 0.147 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1831438395 QDLBEMKOEACYJA-FRVUEHSBSA-N 410.511 0.585 30 20 HCED Cc1cc(C)n(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n1 1831484946 JLOUAUMGPUWMRL-UYAOXDASSA-N 424.567 0.911 30 20 HCED COc1nccnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831484954 JUNKWZOTQRCKAQ-KXBFYZLASA-N 424.523 0.510 30 20 HCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833205389 WNNPVRXTQSLTCL-UTKZUKDTSA-N 415.494 0.669 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833291166 BWNNJCRKKKYQEA-NRFANRHFSA-N 422.445 0.522 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)c1 1833852437 HLBPBJZQBBLIRE-NRFANRHFSA-N 417.510 0.377 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(N(C)C)o4)CCO3)C2)C1 1833896367 TUPVNXDMPIGRQT-FQEVSTJZSA-N 404.467 0.777 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1834486686 UXKHBPKQZNIXIQ-JOFDYHQFSA-N 422.438 0.274 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)cn4)C3)C2)CC1 1835342567 VWFMCMDPROJLTG-FQEVSTJZSA-N 402.426 0.523 30 20 HCED COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835668343 ZUMAACSIMIVHBQ-HXUWFJFHSA-N 410.515 0.150 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835708797 YPOJXVNUDYLUGD-IRLDBZIGSA-N 414.506 0.731 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]c5ccccc45)CCO3)C2)CC1 1836939534 KPVPJPBNXYAVPM-NRFANRHFSA-N 409.446 0.937 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837224395 OHRNGJUNIVFDDT-PZJWPPBQSA-N 408.495 0.834 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837394782 JQNOXDWEXODQRJ-OXJNMPFZSA-N 404.467 0.120 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1837401117 ULGPGBXRXQOUJW-HBGVWJBISA-N 409.527 0.158 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837447774 SFSHTHVYJQFMES-SFRQHRMHSA-N 422.526 0.341 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1838639472 GZMOIJSPJKFVII-HOTGVXAUSA-N 410.515 0.920 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccn4)C3)C2)c1 1838906506 NBPHKPYLCHVGSO-OAQYLSRUSA-N 407.430 0.732 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839315030 QKAUXMGMOXAHFO-VFNWGFHPSA-N 420.437 0.640 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839641524 LCYWKFATAOHNSC-DNPICXIKSA-N 420.510 0.495 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@@H]4C=CS[C@@H]24)CCO3)c1 1839699071 WVQQELMLJXEEHC-MCNSXXNHSA-N 414.487 0.831 30 20 HCED Cc1ccc(C)c(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839935703 FVCHHUCYJGXVKX-QFIPXVFZSA-N 414.458 0.390 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4ccccc34)C2)C1 1840042629 FYLILGFHTSVGIY-JOCHJYFZSA-N 423.425 0.393 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840129515 XHBQPJCVGNMFQW-HRAATJIYSA-N 422.526 0.340 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840434020 OKOFPPPKLNCKPJ-NQIIRXRSSA-N 402.495 0.779 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840435135 XKTQGMASFASTIP-QFIPXVFZSA-N 414.506 0.449 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1cccn1 1840816079 OFDLXTBVLRMVKO-OXJNMPFZSA-N 401.467 0.594 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCCC4)CCO3)C2)c1 1840940288 ZQKBMERASRDDTN-OAQYLSRUSA-N 415.494 0.442 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)[C@@H](O)C1 1845103964 PQZVPPVOARYKDZ-IRXDYDNUSA-N 417.506 0.831 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 42933641 AUWPIDXPRVDSQA-UHFFFAOYSA-N 414.491 0.675 30 20 HCED C=CCn1nnnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 53578531 LIPAWGHIPSGBFY-UHFFFAOYSA-N 412.453 0.939 30 20 HCED CS(=O)(=O)c1n[nH]c(/N=C(\O)CCNS(=O)(=O)c2cccc(Cl)c2)n1 64348043 LNAOOKZHVRIZCI-UHFFFAOYSA-N 407.861 0.818 30 20 HCED CN(C)CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCS(=O)(=O)C1 427711691 UGVPYSXVHBLFDM-QGZVFWFLSA-N 416.507 0.517 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 430378742 STDNJSFRIRSXCK-IEBWSBKVSA-N 408.543 0.487 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2)n1 437359031 MVSGIJXXTIHKFO-UHFFFAOYSA-N 406.377 1.576 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1=O 440258062 QLDJCZWWLSIVQP-ZDUSSCGKSA-N 413.883 0.927 30 20 HCED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H](C)CO 443810250 APEKWVRXJUASDD-RYUDHWBXSA-N 405.842 0.926 30 20 HCED COCCn1ccc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 444504224 YXEAWEIYDTVRMB-UHFFFAOYSA-N 410.478 1.074 30 20 HCED Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N2CCOCC2)o1 444591574 HAFBANCBVGWDAF-HNNXBMFYSA-N 400.439 0.826 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 466483761 YKFDUOWYRRGYHH-OKILXGFUSA-N 409.468 0.942 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)C1=O 469633513 OXSWTKGTDCPALW-UHFFFAOYSA-N 420.447 0.290 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 473447151 HDRXDMNBYZAZSG-UHFFFAOYSA-N 415.494 0.906 30 20 HCED CS(=O)(=O)c1ccc(OCCC(=O)N(CCC#N)CCN2CCOCC2)cc1 478247880 AZGIZIRHBWXNTK-UHFFFAOYSA-N 409.508 0.933 30 20 HCED CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O 480576545 KWHYRTHGGRCOOS-ZDUSSCGKSA-N 416.525 0.013 30 20 HCED C=C(C)Cn1c(SCC(=O)NCCN2C(=O)CNC2=O)nnc1-c1ccco1 482190364 FLXHUOXFWBMDTB-UHFFFAOYSA-N 404.452 0.874 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 484720042 KHNLURBGJLQLKA-IAGOWNOFSA-N 420.535 0.947 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486630391 OXNAMLFEARDNTB-INIZCTEOSA-N 417.447 0.007 30 20 HCED CC(C)[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCCS1(=O)=O 489188344 XTGFYIXTNZXIQL-ROUUACIJSA-N 418.519 0.835 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 489916592 PZDJUNKDGKCTKC-LSDHHAIUSA-N 401.423 0.280 30 20 HCED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1=O 499460872 YEFSNZPXRKCFCL-GFCCVEGCSA-N 407.224 0.911 30 20 HCED COC(=O)C1(NS(=O)(=O)c2ccc(C#N)cc2Cl)CCS(=O)(=O)CC1 501473973 DLZOIXGCMBWHKV-UHFFFAOYSA-N 406.869 0.610 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)CC2)c1C#N 505661119 KOSKIIHTMFQITR-UHFFFAOYSA-N 407.434 0.245 30 20 HCED CCN(C(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1Cl)C(C)C 508971608 UVNHUTAEZUXGAH-UHFFFAOYSA-N 407.858 0.905 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC(C)(C)CCC#N)cn2)C[C@@H](C)O1 511006240 YGCBICXTGJUBQQ-HUUCEWRRSA-N 418.498 0.904 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC#Cc1cccc(F)c1 513913652 STOFJZFLDUKQPQ-CYBMUJFWSA-N 403.435 0.759 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 520172876 LUDZDPNAMRRZRL-UHFFFAOYSA-N 413.503 0.644 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cnn(CC)c1 522538920 WYYNJTDXEFRQNV-CYBMUJFWSA-N 410.503 0.967 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CCN3CCOCC3)cc2)C1=O 522998520 SGJBUGFNMMPLHS-UHFFFAOYSA-N 400.435 0.477 30 20 HCED COC(=O)C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 538389032 QHHUONIZJSUGLC-SFHVURJKSA-N 418.469 0.534 30 20 HCED C=CC[C@H](CO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 539329132 CLLHLJCJDRTODQ-KBPBESRZSA-N 414.480 0.910 30 20 HCED COC(=O)C1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 539490130 JDMCSPUVYGGKKN-HNNXBMFYSA-N 406.508 0.457 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C3CCCC3)nn2C)CC1 541018271 OMWSYBPMZHTTIZ-UHFFFAOYSA-N 402.499 0.463 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N2CCCCC2)nc1 555993186 RWMDOKXELDXJTF-UHFFFAOYSA-N 424.509 0.956 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@@H](C#N)[C@H](c2ccccc2)C1 558044691 BXAYHKHJRNSKJO-SJORKVTESA-N 406.508 0.586 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCC[C@H]2C1 558262071 WUPSTUBULZJSIZ-HQJJXPTPSA-N 418.519 0.988 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(N3CCC(OC)CC3)CCCC2)C1=O 563291338 AZNRNGBBXMQDKD-GOSISDBHSA-N 420.554 0.772 30 20 HCED CN(CCc1nccs1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 570074325 YABFMRPZHHWBNG-INIZCTEOSA-N 411.487 0.933 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)n1 570267445 IRTIILLSONXRSX-UHFFFAOYSA-N 406.446 0.060 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 571213939 WHRWQQBNDOEMQB-AHIWAGSCSA-N 408.418 0.878 30 20 HCED CN(C)c1nc(N)nc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 571948000 XHMCFNHYSJWJLH-UHFFFAOYSA-N 409.410 0.602 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCc3cn(CCOC)nc32)C1=O 582089463 GNQGVEQNIYBGJN-HZPDHXFCSA-N 403.483 0.268 30 20 HCED Cc1c(C(=O)NCCn2cnc(C#N)n2)cc(Br)cc1S(N)(=O)=O 586828165 NXQOSASOISBFFA-UHFFFAOYSA-N 413.257 0.298 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 588125127 YARROWIPIDLIIV-UHFFFAOYSA-N 417.897 0.729 30 20 HCED N#CCCN(CCC#N)C(=O)Cn1nnc([C@@H]2CN(Cc3ccccc3)CCO2)n1 609479388 JZYJOQDBTMHTDJ-SFHVURJKSA-N 408.466 0.903 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 610239543 LVFXSUMFIJSNMV-HOCLYGCPSA-N 410.544 0.396 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CCN2C1=O 610707095 MXSZEACYCFBDJG-INIZCTEOSA-N 411.466 0.600 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 610767835 ODOYUHLHTDJKMK-QGZVFWFLSA-N 406.508 0.862 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 610775489 QDIZNJFAYUAILC-QGZVFWFLSA-N 409.450 0.616 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 615311805 SNPCUOJOMIAFTH-INIZCTEOSA-N 422.493 0.362 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCOC[C@@H]1C 729384840 DLXVXQWUPWXHME-RDJZCZTQSA-N 422.551 0.977 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(N2CCCS2(=O)=O)c1 732419769 SDFHNXVIVBUNRO-WUKNDPDISA-N 419.463 0.874 30 20 HCED C[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1CCN(c2ccc(F)cc2)CC1 735116558 PFMJQPFZTWPWCP-AYAKEVCGSA-N 415.469 0.979 30 20 HCED CN1CCC[C@H](N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)C1 738209397 AVVHBDHSXVLGFH-SIKLNZKXSA-N 410.522 0.995 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)s1 743879682 DLFRVUVNKNVREQ-UHFFFAOYSA-N 411.436 0.802 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(C(N)=O)s3)CC2)o1 748959595 TVWOHVANBPOJFE-UHFFFAOYSA-N 403.420 0.521 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)c1 754317354 HXLHWTVSOFCWCC-UHFFFAOYSA-N 401.286 0.549 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cccc(C#N)c1 756760668 UNWMCVGMTFDIPZ-NEPJUHHUSA-N 405.436 0.529 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N(C)C 757289763 AGZQFEWZQHMDMT-AWEZNQCLSA-N 421.461 0.726 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758641758 CALZVETXCXZOAJ-NXEZZACHSA-N 416.481 0.967 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cccc(Cl)c2F)c1=O 759691172 QVCKYPVUAHKEMF-UHFFFAOYSA-N 411.867 0.774 30 20 HCED CNCCCc1n[nH]c(NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1C#N 760309266 QJNZMCKPYAEAJT-MRXNPFEDSA-N 412.429 0.631 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 763899109 BNCADFYNMRANDQ-IBGZPJMESA-N 423.491 0.919 30 20 HCED COC(=O)CCc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 767681210 PXLSYSSNSGWYCS-LLVKDONJSA-N 422.419 0.457 30 20 HCED CC(C)(C)c1nnc2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn12 769300352 WYDBHTGOEMBRIS-CYBMUJFWSA-N 403.464 0.606 30 20 HCED CCCN(C)C(=O)[C@H]1CSCN1C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 772155593 SDGZRNLXHJIRKJ-CYBMUJFWSA-N 411.484 0.463 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21)[C@H]1CCCO1 773784145 AIJMTWQKZFRBJE-DOTOQJQBSA-N 405.476 0.171 30 20 HCED C#C[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@H]1CCCO1 775616897 GRVPKPPVVVARBY-HZPDHXFCSA-N 407.496 0.466 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 777016639 CFSQFSLGSANYES-HUUCEWRRSA-N 411.480 0.052 30 20 HCED C=CCn1c(C)nn(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1=S 779869420 HQKGTCZFULGQAJ-HNNXBMFYSA-N 401.558 0.992 30 20 HCED N#Cc1cccnc1NCCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 780824679 JKEYOIRANCENFL-INIZCTEOSA-N 422.511 0.201 30 20 HCED CC(C)(C#N)COC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 781466507 DNQKVOJNQYWJIA-CQSZACIVSA-N 402.494 0.861 30 20 HCED C[C@H]1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CO1 784269591 IXYBHVBNLULVJN-HOCLYGCPSA-N 421.475 0.359 30 20 HCED 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C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3Cl)C2)C1 1839807204 PBCCJLFOCRROJD-LJQANCHMSA-N 408.886 0.995 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1 1839887620 CLTPZDNRZLXQIR-QGZVFWFLSA-N 404.410 0.607 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840025780 PIZYVEVDDKSRMG-ORAYPTAESA-N 407.854 0.662 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840166041 RYHXXEWBNWQFBZ-KSMMKXTCSA-N 408.524 0.289 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1840295437 NUYDPEXPEFRJAC-NRFANRHFSA-N 402.495 0.992 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCS2)CCO3)c1 1840577945 JDXRMKHOEAUBLP-QFBILLFUSA-N 404.492 0.852 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812174 DADYQYZEQWOQNO-OAQYLSRUSA-N 420.510 0.299 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1ccnc1 1840812529 WBXDNYCMMXYJGD-OXQOHEQNSA-N 401.467 0.594 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1840840507 CLSCLDSWVMDBDB-KKSFZXQISA-N 423.510 0.769 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840841637 MKUVXTGFTKYQIA-NRFANRHFSA-N 423.510 0.723 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840855792 URKIZKOXVZMZIX-GHTZIAJQSA-N 407.511 0.551 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)CC#N)C2)[C@@H](O)C1 1842620926 HTWAAZAXMLSECD-GJZGRUSLSA-N 406.483 0.721 30 20 HCED Cn1c(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)cccc1=O 1844299659 JGQDSGWEWMWMMG-AGKWGAAGSA-N 402.451 0.731 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1847810087 GFHHDJOLUABPHG-BPUTZDHNSA-N 401.467 0.423 30 20 HCED COc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)cc(OC)c1OC 1847975284 ACXLYZISUJIWDQ-GJZGRUSLSA-N 416.430 0.545 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)o1 31529160 KFCBLTSIDYYVHM-UHFFFAOYSA-N 424.373 0.708 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)cc1 48548522 PIZXCSGLJLICRV-UHFFFAOYSA-N 418.541 0.896 30 20 HCED CCN1CCN(Cc2ccccc2C/N=C(/NC)NCCN2CCOCC2)CC1 303869711 BAOUIIBKTWWCFI-UHFFFAOYSA-N 402.587 0.821 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CCO1 409486641 QDPRIBUWECJZOR-MRXNPFEDSA-N 424.914 0.574 30 20 HCED Cn1c(O)ncc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1=O 434872378 ZYORXOMMQUTQQF-UHFFFAOYSA-N 411.397 0.627 30 20 HCED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 439404858 RURDLDRNYPMYDC-CQSZACIVSA-N 407.496 0.322 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 442279185 XEDZAOILAABTJI-UHFFFAOYSA-N 408.418 0.023 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cnn1-c1cccc(C#N)c1 443749509 PSAXEYGIBXTJSO-QGZVFWFLSA-N 410.434 0.348 30 20 HCED C=CCNC(=O)Cc1noc([C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n1 445340581 JODXNJKTZBQTNT-CYBMUJFWSA-N 408.484 0.823 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 446737043 XWPNSPAIKCALMC-UHFFFAOYSA-N 412.450 0.221 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N(CCN(C)C)Cc1cccc(C#N)c1 447191303 GOQWJDXVMIGBMP-UHFFFAOYSA-N 402.542 0.191 30 20 HCED CCCNC(=O)C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460597383 KMMRSOPUHOUSLV-UHFFFAOYSA-N 409.450 0.842 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)ccc2OC)c1=O 461343848 MEHNOCGNBPJGAQ-UHFFFAOYSA-N 419.478 0.733 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 465071727 OULVNQWUKADRNY-GDBMZVCRSA-N 415.537 0.599 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN([C@@H](C)CO)CC1 470934003 TWRLGTALRVKJBE-HNNXBMFYSA-N 404.467 0.437 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 473569439 LYTNYSYNSACSIS-QGZVFWFLSA-N 410.927 0.779 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c1 476047278 FPEJIUQMMKRRMC-SJORKVTESA-N 419.507 0.081 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 482379073 CACHPJLYEYZXRT-NVXWUHKLSA-N 406.508 0.406 30 20 HCED CN1C(=O)C[C@H](C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)[C@H]1c1ccnn1C 489060901 FIQDRQANJPVLNZ-DHJMFYJESA-N 418.457 0.812 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 490115426 VPBDXSQUCBHSRE-CQSZACIVSA-N 413.478 0.707 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 495025175 GNLXYLCESFWPEG-ZIAGYGMSSA-N 410.471 0.809 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 498661872 KKXBEYWDQBOCNZ-LLVKDONJSA-N 415.269 0.409 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 501242168 FFXBABLENKJEJS-UHFFFAOYSA-N 413.499 0.737 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 503661167 ZGSJZAHDNXJVAX-UHFFFAOYSA-N 402.480 0.309 30 20 HCED N#CCCN(CCC#N)C(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 505608204 KEUQEZVDMKLHSK-IBGZPJMESA-N 411.462 0.769 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)n1 508338609 GEIVLULPNWOFKV-UHFFFAOYSA-N 417.429 0.835 30 20 HCED Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508374192 AQEVKNKVBVZQBM-UHFFFAOYSA-N 409.450 0.886 30 20 HCED C=CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508841847 USIPEVLRUHLBLT-OAHLLOKOSA-N 412.516 0.015 30 20 HCED CC(C)(CCCO)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 510443512 LKSHUOGKUTWZQH-QGZVFWFLSA-N 400.479 0.690 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)n1 510611077 ABLHZXZVQBTRLN-UHFFFAOYSA-N 414.445 0.046 30 20 HCED Cn1c(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1 515929338 MIABCFFHCUSDFV-UHFFFAOYSA-N 424.486 0.991 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 522466441 QXUQPXHFHLTWJB-HXUWFJFHSA-N 420.535 0.902 30 20 HCED Cc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1S(=O)(=O)NCC#N 522717742 OHBQGRMVCCPFPX-OAHLLOKOSA-N 416.463 0.066 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 544335194 LDZMAUGKZBFHHF-KRWDZBQOSA-N 416.478 0.703 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@H]3C3CC3)n2)c(F)c1 551433133 IWPYMQHQVQRSRM-KDOFPFPSSA-N 410.409 0.995 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCOC[C@@H]3CCCO3)C2=O)cc1 552690576 ZHASEFKQEXKNJH-ROUUACIJSA-N 414.462 0.087 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 558549924 JZEWSUFAZUMCDO-UHFFFAOYSA-N 410.438 0.105 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1 560754950 UULCJSAAMJLULP-CYBMUJFWSA-N 402.842 0.847 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CC2 569465228 NGZNZMZZWCIOGL-RBUKOAKNSA-N 421.505 0.502 30 20 HCED Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 574428902 CVHXJYBYOUPPKT-AEFFLSMTSA-N 420.473 0.919 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 581219156 GCURPISWQNCDFO-ZDUSSCGKSA-N 402.484 0.976 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 582054113 FGBOQGLDBRIRLH-QGZVFWFLSA-N 416.522 0.927 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)n1 582517603 YILCBJCEDTZFOP-OAHLLOKOSA-N 421.461 0.938 30 20 HCED COc1cc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccn1 585703992 DAQGRNNPMGWHPS-UHFFFAOYSA-N 410.434 0.792 30 20 HCED CS(=O)(=O)N1CCC(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 603591960 RQBDAWDGQMYOTG-UHFFFAOYSA-N 407.496 0.744 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC)c2=O)c1 603995303 ZIQMTRBRIYTYGT-UHFFFAOYSA-N 413.499 0.690 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H]4CCC[C@H]4O)CC3)CC2)o1 609671730 DKHPPUVVDRBIQE-ZWKOTPCHSA-N 402.499 0.034 30 20 HCED Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 610562986 NNBMGXBQEIBKJM-UHFFFAOYSA-N 419.423 0.738 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C)c1C(F)F 611149804 XWGMCSXORMPMMO-SNVBAGLBSA-N 404.381 0.695 30 20 HCED COc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)n1 617091880 NILQHHLAAAQKCD-MRXNPFEDSA-N 423.429 0.826 30 20 HCED COCC[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 726301350 UCRRNLUARLHXJI-JEEMYIIMSA-N 410.496 0.979 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 726547067 ZSVMXEYGDTWLKK-CQSZACIVSA-N 424.548 0.885 30 20 HCED CO[C@@H](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 726723835 HJRIGFGDRHYLAO-JPDJOPTESA-N 410.496 0.979 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)C(=O)O 728154682 OMSFQBSXJPZEQQ-OAHLLOKOSA-N 401.444 0.927 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@@H](C)CC)CC1 728530402 CQSTWBPGDROVEP-GHTZIAJQSA-N 424.545 0.880 30 20 HCED CC(C)NS(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731863042 PFTQDUZUYKDPBY-FBMGVBCBSA-N 406.464 0.630 30 20 HCED CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732897582 BMSNUSBYTKOGIF-HDOZFUISSA-N 410.496 0.715 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCCC2)cc1 737235748 AMFWRUQBHGBTNE-JWGURIENSA-N 422.507 0.859 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n[nH]1 737299106 LPRMXGFPJXNCTR-KQWNVCNZSA-N 418.479 0.786 30 20 HCED C[C@H](CC(=O)N1CCC[C@H]1C(=O)NC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 742547596 RVWUAVMFXRANRQ-DOMZBBRYSA-N 404.492 0.773 30 20 HCED CNC(=O)[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 750962247 NVKDRCSZBQEHLQ-PGRDOPGGSA-N 419.441 0.929 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 757597187 XOEQVSWKTBQUOQ-BFHYXJOUSA-N 400.501 0.676 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccc(F)cc2)sc(=Cc2cnn(C)c2)c1=O 758041358 TXUZERFNTZQAFH-UHFFFAOYSA-N 407.430 0.557 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCCO3)c1=O 758053643 VNQCXVVSPOMZLT-UHFFFAOYSA-N 421.478 0.440 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccs2)c1=O 758082227 CORMNVJPICLPSH-UHFFFAOYSA-N 412.540 0.272 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 758107487 ZCHVPMAIRQGIJB-UHFFFAOYSA-N 406.489 0.667 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 758663054 SFBUVQDOUVEDKA-ZNMIVQPWSA-N 410.471 0.967 30 20 HCED 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C#CCCCC(=O)N1CCC(OC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CC1 1837117682 ODCTXPOKPCTHGY-QGZVFWFLSA-N 418.494 0.387 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837565025 IZPFWYJPUSHERN-JNVMUYNCSA-N 419.478 0.770 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837680776 OMFLJSMJTOFTCY-HRAATJIYSA-N 420.510 0.441 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)ccn1)CCO2 1837958248 MFVSWASNXLRRDJ-OAQYLSRUSA-N 401.463 0.964 30 20 HCED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CCCN1 1838739150 MNJVELQGPKJJET-UXHICEINSA-N 401.467 0.098 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838799287 UPOYJYYBUMATJU-HXUWFJFHSA-N 423.466 0.220 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1839228893 RYFHFOKLZPGJNO-UZLBHIALSA-N 409.483 0.938 30 20 HCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1F 1840159302 YHTDWYAONHKPBS-SJKOYZFVSA-N 400.476 0.256 30 20 HCED 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COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C)C#N)CC2)cc1 432108596 DHVLHJGVUYKTQI-AWEZNQCLSA-N 408.480 0.337 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)CN1CCOCC1 435236117 HXNPUTSSPZCUCS-HNNXBMFYSA-N 404.467 0.701 30 20 HCED CC(C)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 437966175 XLPOEOCCPAYKQV-GOSISDBHSA-N 407.492 0.473 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1(O)CCCC1 443867250 IEDYBNOZSPJKAP-UHFFFAOYSA-N 420.535 0.628 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1 466636810 FHHSMWDGYFUIEW-INIZCTEOSA-N 408.480 0.279 30 20 HCED C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 468780804 BWYQSEHRVZFELC-OAHLLOKOSA-N 420.535 0.844 30 20 HCED Cc1nn(C)c(N2CCN(Cc3nnc4n(C)c(=O)c5sccc5n34)CC2)c1C#N 472156226 MZQUQFOJCCQFGJ-UHFFFAOYSA-N 423.506 0.879 30 20 HCED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)c1C#N 472164138 SJYDNHHKDAIYRF-KRWDZBQOSA-N 423.525 0.250 30 20 HCED CC[C@H](C)[C@@H]1CN(C(=O)c2cnn(C)c2C#N)CCN1C(=O)c1cnn(C)c1C#N 476487732 URMSJYWVHATCOB-UGSOOPFHSA-N 408.466 0.910 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)NCCc1ccccc1 481244453 BCAKNKXCPWOIRM-HNNXBMFYSA-N 414.487 0.700 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)cc1 484404984 DXRCDFGNQBRUOD-HNNXBMFYSA-N 417.491 0.828 30 20 HCED N#Cc1ccc(OC2CCC(N3C(=O)[C@@H]4CS(=O)(=O)CCN4C3=O)CC2)nc1 484478238 ZRRRCHDQHGYKCJ-NRXISQOPSA-N 404.448 0.704 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 487756326 RUMPFBDAGYKAHA-HOTGVXAUSA-N 403.545 0.746 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 490452190 FYJDKVAGGSREFP-UHFFFAOYSA-N 424.461 0.647 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 498874984 LFFGLNLHTNJBLI-AWEZNQCLSA-N 415.855 0.280 30 20 HCED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 499706415 ZKZHHEJVQWBBIN-ACJLOTCBSA-N 410.478 0.651 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1 502951792 QSPLYRXUYOUMOC-PMACEKPBSA-N 412.534 0.960 30 20 HCED CN(CCOCCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 503228842 BSHBPLUTNRNIKL-UHFFFAOYSA-N 403.439 0.396 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1C 505079135 ZTXGNRZOZCCUQP-UHFFFAOYSA-N 401.488 0.420 30 20 HCED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCNC(=O)C1 506931961 ZCGSWNHKFPKBEO-UHFFFAOYSA-N 407.427 0.002 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CC(N)=O)c1ccccc1 512403175 AEQXUJQKNBQZFE-GUYCJALGSA-N 400.460 0.958 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2CCNS(C)(=O)=O)CC1 512408205 CHDZTUZLBMZLDP-ZWKOTPCHSA-N 413.588 0.473 30 20 HCED N#Cc1ccc(CN2CCC(N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)cc1 513232545 HSSJFXVPIIRNNF-SFTDATJTSA-N 418.563 0.610 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N[C@H](C)CCC(C)C)C1=O 519131252 GUWPCDWUBDYPLO-KGLIPLIRSA-N 424.523 0.806 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCOC2)ccc1OCC(F)(F)F 523064201 QJNKOZWZIBSWEW-MFKMUULPSA-N 401.341 0.951 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CCO1 523070720 IOKNDSZUMAONLI-ZDUSSCGKSA-N 419.239 0.778 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2csc(C)n2)c1=O 523081505 MATRLQIVQDXECC-UHFFFAOYSA-N 418.544 0.837 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531852269 GKDCZJRVAVICOQ-UHFFFAOYSA-N 405.483 0.897 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)c1=O 534980213 WUUJJTLQWHTWSX-UHFFFAOYSA-N 410.369 0.050 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 539206316 UUAXFPXURUCDFE-CYBMUJFWSA-N 421.465 0.847 30 20 HCED COc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)cc1[C@]1(C)NC(=O)NC1=O 542710201 BMXUYBZIAGDYQC-INIZCTEOSA-N 404.408 0.454 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(c4cccnn4)CC3)n2)c(F)c1 542999234 WCUQWXYJALJSED-UHFFFAOYSA-N 420.408 0.960 30 20 HCED 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30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1 1831493574 SYOYEBJTNGUKOL-LPHOPBHVSA-N 424.523 0.510 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1832454347 IXNLQAZSYDLXIO-LJQANCHMSA-N 406.508 0.774 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)C[C@H](NC)C(=O)O)CC3)CC2)C1 1833048771 VAUWOESGZKVOHT-SFHVURJKSA-N 406.527 0.587 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833428629 GUVWZZGXVSOAHS-INIZCTEOSA-N 400.523 0.662 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834121637 KWDUYBYYQKCOGS-JXFKEZNVSA-N 421.498 0.599 30 20 HCED Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cs1 1834293223 UTVXRCFKDLGGKC-UHFFFAOYSA-N 404.492 0.725 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)CCNC(=O)c3ccc[nH]3)CC2)CC1 1834398018 HMTUZIGHFVFLIF-UHFFFAOYSA-N 414.510 0.620 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cnn1C 1834422764 ISTVSWZWAOJMRB-HSZRJFAPSA-N 422.485 0.850 30 20 HCED 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445551186 SZEBRYTZZKESRC-UHFFFAOYSA-N 421.410 0.404 30 20 HCED CCOc1ncccc1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460616947 YLMUYCSCQVIGIL-UHFFFAOYSA-N 405.418 1.496 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465063514 AVYAFYIMJXLEAT-HOTGVXAUSA-N 413.521 0.307 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 465353255 BMJZVARHPVJHSG-CYBMUJFWSA-N 411.480 0.735 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)n1 466897877 PLJFBUMIUMWHKJ-UHFFFAOYSA-N 411.813 1.177 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)N(C4CC4)C3)CC2)cc1 468708092 CIAPCJCETLAXPM-UHFFFAOYSA-N 402.476 0.750 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 468845770 DRKLPKIKCMZZEK-KZULUSFZSA-N 411.480 0.434 30 20 HCED COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472869013 MKPBGLGOUMYWGL-UHFFFAOYSA-N 424.461 0.603 30 20 HCED COC(=O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 476900478 GRMXDRHFBGOTJA-INIZCTEOSA-N 413.434 0.080 30 20 HCED N#Cc1ccc(N2C(=O)C[C@H](N3CCN(CC(=O)N4CCCCC4)CC3)C2=O)cc1 477053719 AVUXWEJNDAEZPC-IBGZPJMESA-N 409.490 0.820 30 20 HCED Cc1ccc(S(=O)(=O)N(C)C(C)(C)C#N)cc1S(=O)(=O)N1CCOCC1 479134395 SMQDCTIYXCNCJQ-UHFFFAOYSA-N 401.510 0.939 30 20 HCED C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[S@](C)=O 482920915 XDURYRYDKDQQML-RXBISOJRSA-N 412.537 0.731 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 484214027 ZPQXSKUJTQLRJD-UHFFFAOYSA-N 401.511 0.882 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 484391391 PKZJPWSDZLTKSW-QGZVFWFLSA-N 413.478 0.660 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 484675678 FBORDQGGPLVERZ-IBGZPJMESA-N 403.479 0.632 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 487156464 KAOZFDCFLYUETE-QGZVFWFLSA-N 415.475 0.398 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 498193463 AMEXWELRFDWMSE-IAGOWNOFSA-N 420.535 0.989 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)N3CCN(C)CC3)cc2C1=O 498501781 CKXHDFRUUCKIBF-SFHVURJKSA-N 410.474 0.847 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1nc2c(s1)CSCC2 500254926 SFVFEBZTJQVOGK-UHFFFAOYSA-N 409.537 0.945 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)nn1CCC#N 505068516 NBORWFYTTOFFMB-CQSZACIVSA-N 404.496 0.610 30 20 HCED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CCCS(N)(=O)=O 506862023 NZRLYWFUTWTOON-UHFFFAOYSA-N 400.482 0.592 30 20 HCED C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508868065 SOPHPFUKEJMGCD-AWEZNQCLSA-N 412.450 0.295 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 511685688 HLBPBGUYNLVUMS-LLVKDONJSA-N 416.406 0.496 30 20 HCED C[C@@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 512500359 WCKFLAVZZPGIPL-HNNXBMFYSA-N 422.507 0.382 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 513391291 XPEBYNHKBDZAIB-JKSUJKDBSA-N 406.508 0.942 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n1 536969009 PMPKQRRSNJNAKV-HNNXBMFYSA-N 403.487 0.333 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCCn1nc2n(c1=O)CCCC2 543753197 MKORPBOPCYXFNY-UHFFFAOYSA-N 401.475 0.222 30 20 HCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544863934 JJWDTMQARGDHNV-UHFFFAOYSA-N 413.459 0.644 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3nnc4n3CCC4)C2=O)cc1 550186421 RZJLMEMZOKKRTD-OAHLLOKOSA-N 407.434 0.024 30 20 HCED CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 552340782 HWZZIKSYFBOJSK-UHFFFAOYSA-N 420.473 0.919 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 555222503 MUNRBJZNFYEIQW-AWEZNQCLSA-N 408.532 0.973 30 20 HCED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 555243646 CAVQQVFKAIZUAJ-MSOLQXFVSA-N 418.542 0.727 30 20 HCED CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 561887865 OLBPTSMMYMMNKU-INIZCTEOSA-N 422.493 0.968 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(O)c3)CC2)c1 571070067 DOHFVFOPXDKCTO-UHFFFAOYSA-N 400.460 0.891 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 576541267 KILPHOAJWVTCFG-ZIAGYGMSSA-N 408.480 0.730 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3cccc(O)c3)CC2)nc1 579877461 LJBLATBOKVNTLC-UHFFFAOYSA-N 400.460 0.891 30 20 HCED Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)cn1 580906608 FQQDVOXHMMVQAZ-UHFFFAOYSA-N 400.464 0.960 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OC)s3)c2=O)cn1 583969254 IUGIPULUWRAQSK-UHFFFAOYSA-N 415.500 0.435 30 20 HCED COCCOCCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585693153 QWJNBKLCORWEGL-UHFFFAOYSA-N 405.455 0.242 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603796810 QIMFHRQEFXDSBC-UHFFFAOYSA-N 416.459 0.494 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)N(CCC#N)c1ccccc1 603823826 BUWTUBLVJLSZKA-MRXNPFEDSA-N 406.508 0.558 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)CC1 603887767 ZYYOVIITVDRWOL-SFHVURJKSA-N 422.532 0.668 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCC)CC2)cc1 606031777 MFXJDYUHBWUHEU-UHFFFAOYSA-N 416.482 0.213 30 20 HCED Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 609282795 SCNJQBNJRYMSKS-AWEZNQCLSA-N 408.480 0.713 30 20 HCED CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CCCCC#N)CC2)c1 609675166 ALMMKRWSROQUBP-UHFFFAOYSA-N 413.521 0.872 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CCCOCC)C[C@H]2C)C1=O 672648274 SZBMKURTBKAZPX-SQNIBIBYSA-N 408.543 0.485 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(CC(N)=O)c1=O 684535727 SNNIOKOSESKDFY-UHFFFAOYSA-N 413.503 0.435 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(OCC(N)=O)cc3)CC2)cc1 725794560 JZKPHJGVTYIQDA-UHFFFAOYSA-N 414.487 0.929 30 20 HCED C[C@H]1CN(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 726260766 RSOPIIJSFRCIIR-INIZCTEOSA-N 421.523 0.295 30 20 HCED CC(=O)N(C)CC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 729189383 YFVGAKFBHZGAFW-KRWDZBQOSA-N 420.491 0.987 30 20 HCED N#Cc1ccc([C@H](OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(N)=O)cc1 734563417 WDBPECAZHXRLEX-KRWDZBQOSA-N 412.427 0.757 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3CC)c2=O)c1 753789705 XCEMEOHZZXIQJS-UHFFFAOYSA-N 403.467 0.346 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 753891157 GQAZNPWWOOPCCF-LBPRGKRZSA-N 413.883 0.827 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757587847 BTVFXMMYFWVSCP-BXUZGUMPSA-N 424.479 0.831 30 20 HCED COC(=O)c1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 758641924 DBHDPHAMIMFRTJ-DGCLKSJQSA-N 412.468 0.849 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3CCN(CCC#N)CC3)C2=O)cc1 760945101 VUCIXTWSDISDOM-FQEVSTJZSA-N 414.466 0.025 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccn(C)c3)c2=O)CC1 763461368 XGTBKENEHLZYMF-UHFFFAOYSA-N 411.531 0.297 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 765692454 RUZNODMNUINCCC-ZBFHGGJFSA-N 402.451 0.926 30 20 HCED CCCN(C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)[C@@H]1CCS(=O)(=O)C1 770825472 VDZIDAYWAXBVJR-GFCCVEGCSA-N 400.457 0.119 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)cc1 771439030 ZYTLWMYPKULCGV-UHFFFAOYSA-N 407.430 0.862 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCOC)c2=O)cn1 772279948 SHAXWORVAZDZLA-UHFFFAOYSA-N 413.503 0.415 30 20 HCED C#C[C@@H](C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 775388579 URJZXRXKYACZTF-RISCZKNCSA-N 406.913 0.560 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 776143983 VMRSULLSAPZFRL-GOSISDBHSA-N 404.448 0.376 30 20 HCED N#Cc1ccc(NCCNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nc1 780821958 ZLXAIOXWWUBQTM-INIZCTEOSA-N 422.511 0.201 30 20 HCED C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(C)(C)O 781860980 CCZLKTGZDCXFFY-HNNXBMFYSA-N 422.551 0.809 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 782986545 CXJYMMRRSSKYPR-UHFFFAOYSA-N 414.427 0.858 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OCCCOC)c1)[C@@H]1CCS(=O)(=O)C1 783478187 BAFOUARTMYLXMP-MRXNPFEDSA-N 408.476 0.689 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)N(C)C 792420632 WVJFDZAIWICVRU-OBZJLHOISA-N 423.495 0.031 30 20 HCED C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2c(C)cnn2C)c1=O 795196671 ACWGPNABMRBOBX-UHFFFAOYSA-N 417.494 0.751 30 20 HCED C[C@H](OC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)N(C)CCC#N 795833794 KETAEDAIUNBHCV-ZBEGNZNMSA-N 403.357 0.922 30 20 HCED COc1c(S(=O)(=O)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(C)nn1C 798858504 WXPNSFMUMLGZEG-UHFFFAOYSA-N 400.420 0.913 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c(F)c1 802559741 DINWSFFHISPHEG-UHFFFAOYSA-N 412.374 0.108 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)ccnc1-2 806883130 ZKOSLFNUTUQTEN-UHFFFAOYSA-N 407.409 0.640 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 807674536 MOEISVINIHBXBM-MRXNPFEDSA-N 401.511 0.376 30 20 HCED C=CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O 812254186 COMRITCZFBXOFJ-GOSISDBHSA-N 409.443 0.320 30 20 HCED C#Cc1ccccc1CC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 813447986 ONNMZNIRZMWSPG-HXUWFJFHSA-N 404.532 0.948 30 20 HCED N#C[C@@H](C(=O)C1CCC(OC[C@H]2CCCO2)CC1)C(=O)N1CCS(=O)(=O)CC1 815947011 MGNYYJMUQAALBT-BACDZXNISA-N 412.508 0.707 30 20 HCED COCCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2ccnn2C)c1=O 914565003 PMCYPRYCHRLOGR-UHFFFAOYSA-N 424.482 0.684 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 916888897 CRBYCZPISUFMQE-NSHDSACASA-N 404.408 0.960 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 916891845 GJQULJJITSULDE-CQSZACIVSA-N 411.455 0.698 30 20 HCED NC(=O)[C@@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 921056469 ZYHPYNGWVDBDNR-OAHLLOKOSA-N 400.460 0.328 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]c(C(=O)N2CCCC2)c1 1296058596 NLJOELXHKGBOFR-UHFFFAOYSA-N 401.448 0.928 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1319170888 GYPDPVOHAGDDLN-HNNXBMFYSA-N 416.503 0.984 30 20 HCED CC(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1508873306 LCWIZIBFKQHRGR-FUHWJXTLSA-N 412.498 0.821 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1519161602 LFHAPANVSRKCKK-OAHLLOKOSA-N 415.454 0.707 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)cc2)c1N 1570543271 ITKMLSKVYVYZIP-UHFFFAOYSA-N 423.477 0.973 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)CC1CC1 1596850221 MBASOHNQWJRPRU-AWEZNQCLSA-N 408.528 0.821 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C#N)CC1 1620169411 PUBWJBUNUPJQRO-JKSUJKDBSA-N 408.528 0.946 30 20 HCED C[C@H](CC#N)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1654068868 MBNOCSGRQAFDID-CQSZACIVSA-N 408.480 0.182 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)cnc4c3)CC2)c1C#N 1662817483 JGSQTGIHWNAZCJ-UHFFFAOYSA-N 413.463 0.348 30 20 HCED Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1696870580 JZRPICBGCVMFLC-OAHLLOKOSA-N 418.527 0.009 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCSC1 1706871142 NEDIMUNCKBWYNH-CQDKDKBSSA-N 418.520 0.198 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@](C)(C#N)C1 1710900757 YWPQKGDOPGAISL-QGZVFWFLSA-N 404.500 0.804 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1741371835 MSKTZLDCFGYHNY-CRAIPNDOSA-N 408.528 0.128 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1766871386 YGBKORRGRPZSTO-GOSISDBHSA-N 420.470 0.879 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1778970422 BQMBRRINLIVTCS-IIBYNOLFSA-N 413.478 0.746 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1779020704 WKEPUAVXBGPKPC-CCULFSDZSA-N 401.467 0.702 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1779064915 JZMLDXMWZRNQAY-FQEVSTJZSA-N 402.451 0.257 30 20 HCED COc1nccnc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134044 AXIWXUQKLOLFOX-XACCNFBGSA-N 413.434 0.641 30 20 HCED 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C/C=C(/C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530591 OAVOSWZUZSWLNN-PHQVRNHHSA-N 409.483 0.938 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837599116 KDUPGAPTGGUVJH-WIFRZSDBSA-N 421.494 0.968 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1837869026 WRXPPQQECNMNHT-UHFFFAOYSA-N 417.514 0.699 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nc2nccn12 1839549989 PPXHSRUBBWBLMV-KUHUBIRLSA-N 419.507 0.426 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ncccn4n3)C2)C1 1839842560 ZLGHSBIGKFMLQM-FOIQADDNSA-N 414.466 0.407 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839878707 FRBHUZBWLNBEKG-VFNWGFHPSA-N 414.462 0.153 30 20 HCED COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840158096 HANCLZQEQCVYKJ-FOIQADDNSA-N 423.535 0.798 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840159666 JWGKBFSFZIJTSF-ORAYPTAESA-N 409.508 0.942 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840784694 ZJDVKQARUMJYCX-BFUOFWGJSA-N 412.483 0.706 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1841599629 CLXOTMPCTFHQMH-CABCVRRESA-N 409.483 0.114 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305631 CRDNDURNMQMIGG-UHFFFAOYSA-N 409.490 0.638 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844309308 TYVVQGIOYFRVDS-OAHLLOKOSA-N 404.467 0.489 30 20 HCED CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846981345 HUOATRWBSZDULF-UHFFFAOYSA-N 405.476 0.575 30 20 HCED COCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 23367945 NUTGYKXRXNDRAE-CQSZACIVSA-N 407.902 0.919 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)OC 32770761 CDKXPFPYKNMXRL-INIZCTEOSA-N 419.482 0.315 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 32831485 ZEMRVJZGEKRPKA-SFHVURJKSA-N 423.495 0.956 30 20 HCED CS(=O)(=O)NCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 47829525 LEYDXWYPRYHAEE-UHFFFAOYSA-N 408.459 0.453 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)CCO1 409489717 BDNRKUKOUOMPOZ-GJZGRUSLSA-N 405.436 0.579 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 409557285 LMWWZPODLZJESW-UHFFFAOYSA-N 410.496 0.942 30 20 HCED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H](C)C#N 432131818 WBJVGIMTZFWXLT-WMLDXEAASA-N 422.507 0.490 30 20 HCED Cc1nnnn1-c1cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)ccc1F 438752524 GGMOEDOUBMNVLW-UHFFFAOYSA-N 402.434 0.742 30 20 HCED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 438876478 MLLLZZZEASACFL-NSHDSACASA-N 414.871 0.718 30 20 HCED Cn1cnn(-c2ccc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc2)c1=O 442256213 XBRNSDMBELSUPZ-UHFFFAOYSA-N 418.413 0.671 30 20 HCED CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460161028 COVZQMASCRSYOD-QWHCGFSZSA-N 419.515 0.285 30 20 HCED COc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1[C@]1(C)NC(=O)NC1=O 473770026 QLMQGSZXKARPRX-KRWDZBQOSA-N 401.404 0.817 30 20 HCED COCCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@@H]1CCS(=O)(=O)C1 481881701 TXONOAPTESWYPJ-QGZVFWFLSA-N 417.491 0.992 30 20 HCED CO[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1OC 488018543 STTIEUOFPBKDAQ-IRXDYDNUSA-N 415.450 0.800 30 20 HCED C[C@H]1CN(C2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 497382110 DGGZRTTURFTDLY-INIZCTEOSA-N 420.535 0.890 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 498439961 LSVOHALUXOJVES-UHFFFAOYSA-N 417.285 0.703 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 500388070 YDTSMZPSYIKTBB-HOTGVXAUSA-N 421.523 0.739 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 501299243 GJGNYJLSXUECKP-UHFFFAOYSA-N 401.467 0.404 30 20 HCED COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C(C)C)cc1 503611661 PEULTTXWJMIWNJ-SFHVURJKSA-N 422.507 0.583 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)cnn2-c2ccccc2)CC1 505015380 VLEHFAXILBKTNJ-UHFFFAOYSA-N 410.478 0.566 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)cc1 514038995 BFMXRYPWKAGAAT-UHFFFAOYSA-N 402.432 0.827 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1C#N 516151478 FSQJIVZZWDZBKD-UHFFFAOYSA-N 413.394 0.706 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 532217917 CTZRPRHHUJKWEP-CFVMTHIKSA-N 413.521 0.697 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2CC)c1=O 533120396 XUBKWUIPMVKVRH-UHFFFAOYSA-N 403.508 0.190 30 20 HCED CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 539451697 RVAQYODQGMJONB-CVEARBPZSA-N 410.565 0.966 30 20 HCED CCN(CC)CCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 550659694 VEBKJUFGDLPFTA-UHFFFAOYSA-N 414.510 0.978 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cc(C)ccc1C 552007541 MNECIPSNUVIWML-UHFFFAOYSA-N 407.499 0.807 30 20 HCED CN1C[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCC1=O 554392357 MSYDKXKSAUMQCC-MRXNPFEDSA-N 420.473 0.492 30 20 HCED COCCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 555266782 FZZNNXIKJGQGSB-CQSZACIVSA-N 415.425 1.476 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 559925408 WCBGRLIPTDNCIQ-UHFFFAOYSA-N 401.511 0.287 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2)nc1 561099718 GDMXTAZCSNXTTL-BBWFWOEESA-N 400.435 0.339 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1I 584402515 YDEWNVNAUBVBDN-UHFFFAOYSA-N 405.167 0.787 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 603555610 HWGRIPKOZWVUQB-UHFFFAOYSA-N 412.537 0.572 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 603641767 AIGQFIUVTLAWBK-UHFFFAOYSA-N 418.431 0.162 30 20 HCED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2NC1=O 604168510 AWWSKXYIXUPFGB-CYBMUJFWSA-N 420.429 0.960 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CC(N)=O 607947681 SJVMQCKXEOPJLO-ZDUSSCGKSA-N 413.499 0.660 30 20 HCED CNCCCc1n[nH]c(NC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1C#N 611166382 FOPKAUXXUGAGBI-UHFFFAOYSA-N 404.496 0.777 30 20 HCED CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 611547754 SCWWYASRRPQVNU-IRXDYDNUSA-N 404.492 0.984 30 20 HCED CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccnn2C)c1=O 614946812 ZAMZWAFHKRJZOC-UHFFFAOYSA-N 408.439 0.778 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)c1C#N 615966222 PFTOXUHPRQHKLN-INIZCTEOSA-N 407.478 0.693 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cn1 726108008 CXGFIEWTRYUITQ-CQSZACIVSA-N 404.496 0.782 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727160688 IBECRQFXCDWIPN-LBPRGKRZSA-N 415.519 0.465 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742601066 CQZXUEWJVQYAGW-AWEZNQCLSA-N 416.503 0.492 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 743887504 CXKHMICYRYULPH-MRXNPFEDSA-N 403.410 0.626 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@H](O)C(=O)OC)CC2)ccc1F 747520685 LKEWNUIHZHHHLR-INIZCTEOSA-N 414.455 0.676 30 20 HCED C#CCNC(=O)C1CCN(Cn2nc(CCC(N)=O)n(CC(C)C)c2=S)CC1 747796650 WNDULJYQEBVQTI-UHFFFAOYSA-N 406.556 0.907 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)c(F)cc2F)CC1 747992026 SPWJPCSMAVFPCS-UHFFFAOYSA-N 407.373 0.678 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCOC 748790321 COUZKVIEUABVLE-UHFFFAOYSA-N 402.501 0.519 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2F)c1 749019875 DBZOHTHFTATLIN-UHFFFAOYSA-N 405.407 0.835 30 20 HCED N#Cc1ccc(OCCOC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 753662300 FEFUUDODYDEHJQ-AWEZNQCLSA-N 405.432 0.646 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2OC(F)(F)F)c1=O 758084245 RPLMHGFQHRKGGC-UHFFFAOYSA-N 407.373 0.691 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncnc1N 761979676 DYBLZEGKPMUTGP-AWEZNQCLSA-N 402.480 0.828 30 20 HCED CCOC(=O)CN1CCC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 766379583 GGWBJQUVGLFEIQ-HOCLYGCPSA-N 423.491 0.796 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(C(=O)NCC(C)C)CC1)c1cc[nH]n1 770821898 LRFPMPPHNOOZBG-UHFFFAOYSA-N 407.471 0.704 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(F)c(Br)c2)c(=O)n(C)c1=O 771889968 CRMPAQKCRHZQSA-UHFFFAOYSA-N 419.232 0.298 30 20 HCED C#C[C@H](NC(=O)N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)[C@H]1CCCO1 773563142 VTAHDRSAPXWNQH-UHOFOFEASA-N 408.480 0.402 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nn1CCC#N 773858321 PPUXCEAUKPRWOR-AWEZNQCLSA-N 420.470 0.796 30 20 HCED C=CCS(=O)(=O)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 779366215 AQBMZSRIYCVDFD-UHFFFAOYSA-N 402.494 0.555 30 20 HCED N#C[C@H](C(=O)c1cn(-c2cccc(Cl)c2)nn1)C(=O)N1CCS(=O)(=O)CC1 781475454 ZOCQJSUTOFNZCD-CYBMUJFWSA-N 407.839 0.500 30 20 HCED CO[C@H](C)CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 782432939 MUIOLBYOONOZPY-OAHLLOKOSA-N 423.491 0.749 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 782905333 HZQJXSJOLGSDTC-SJLPKXTDSA-N 420.487 0.832 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1nc[nH]n1 785057542 INTLWPGPZLIEDQ-FOGZXTFPSA-N 419.467 0.433 30 20 HCED CN(C[C@H](O)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785084199 MBXIEEPBBPQARR-HGSNWSKYSA-N 422.507 0.667 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 788332150 XYIHHAQEJCOYME-UHFFFAOYSA-N 408.885 0.399 30 20 HCED C#CCn1ccc(CN(CC)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 788826943 OXDBABHSNUCIRU-UHFFFAOYSA-N 419.507 0.538 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)n1 789788402 JPPPVHLWQMXOJK-UHFFFAOYSA-N 422.449 0.414 30 20 HCED C#C[C@@H](CCC)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 791740401 CJEAWUSIGAREIM-GOEBONIOSA-N 400.522 0.686 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCOC)c2=O)cn1 794580914 FVBFNNQOPVKGHB-HNNXBMFYSA-N 414.487 0.352 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCOC 795186976 IPNPMYRGMXEBKN-UHFFFAOYSA-N 403.508 0.018 30 20 HCED C[C@H](OC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)N(C)CCC#N 795833793 KETAEDAIUNBHCV-MEDUHNTESA-N 403.357 0.922 30 20 HCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCF)C1=O 797815053 JKGUXTWNZZZGGC-RILUTCLRSA-N 402.473 0.240 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1F 801156256 ZOBLNTHROOOBTK-ICFOKQHNSA-N 410.427 0.332 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 803302423 OCQYCUMWHIIXHX-LPHOPBHVSA-N 414.506 0.946 30 20 HCED C#CCNc1nc(N[C@H](C)[C@@H]2CN(C)CCO2)nc(N[C@H](C)[C@H]2CN(C)CCO2)n1 804561682 PQBBWKPIEQUXHL-VQHPVUNQSA-N 418.546 0.179 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccnc2N2CCC(O)CC2)cc1 810341713 KSMMRPAUHOYWDM-UHFFFAOYSA-N 415.475 0.831 30 20 HCED C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 812214708 RETPGVIPIKIBCI-UONOGXRCSA-N 417.557 0.171 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 816098762 ABXRWIQVOVMMTE-BYNSBNAKSA-N 402.451 0.813 30 20 HCED 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RKRORDIBEBRUGE-LJQANCHMSA-N 423.491 0.131 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840210472 KWKNUFSADVKBAS-VLIAUNLRSA-N 405.426 0.802 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1846979224 GCGOWNDCEAOGHK-UHFFFAOYSA-N 421.413 0.942 30 20 HCED C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1ccccc1C#N 16162115 LEDGQWNBYAMPHP-LBPRGKRZSA-N 424.417 0.266 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 50169085 XZNTYFPTTGQHER-UHFFFAOYSA-N 413.478 0.662 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 409486162 LYVIFPKULRSRPI-KSSFIOAISA-N 403.464 0.439 30 20 HCED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437424255 VNMSATQNJCANOH-HNNXBMFYSA-N 401.467 0.305 30 20 HCED N#CCCn1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 438324425 XSVRLXNABAOGPV-UHFFFAOYSA-N 418.479 1.139 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 439052951 WBVFRTGXCIFAGR-UHFFFAOYSA-N 405.524 0.667 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 439207637 USJHVQZHJQATLG-ZBFHGGJFSA-N 400.435 0.792 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1=O 440286863 ZCHXUVPTVIHXDO-IRXDYDNUSA-N 414.462 0.988 30 20 HCED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 442116309 VCCMUGKLMYGOGC-CVEARBPZSA-N 411.418 0.893 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC(NC(=O)C4CCC4)C3)n2)c(F)c1 442551833 ZKCOFLFDXDLFGG-UHFFFAOYSA-N 410.409 0.949 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 446524641 UHEHRHVRQRTQFF-UHFFFAOYSA-N 414.466 0.443 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cn1 460697213 JQPFKTIDOHWVFM-CQSZACIVSA-N 405.422 0.608 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCOC[C@H]1C#N)n2C 461641909 KZWQBRCENTXLCG-CYBMUJFWSA-N 405.480 0.507 30 20 HCED N#Cc1ccc(OC2CN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)c[nH]3)C2)cc1 461739123 VYRCSSQMURTEKL-UHFFFAOYSA-N 416.459 0.811 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(OCC(=O)OC)cc2)C1=O 468991888 MYCHJINBESKOCN-LBPRGKRZSA-N 403.391 0.392 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2Cl)C(=O)OCC)C1=O 472109627 BJIPBMMVQMMPJG-CQSZACIVSA-N 421.837 0.907 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C(=O)O 472353398 ZOODIWCMARFHIH-UHFFFAOYSA-N 419.463 0.818 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)c1C#N 472887258 ZCHOZYYDAXTYHE-UHFFFAOYSA-N 421.461 0.772 30 20 HCED N#Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)ccn1 474291566 HEGIGHCCAGNXHK-CQSZACIVSA-N 420.472 0.671 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 481778887 LPXULZAKKGYJIU-FUHWJXTLSA-N 419.551 0.463 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 482185756 STEUJCZTJHOAHV-BLLLJJGKSA-N 419.484 0.870 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C#N)s2)c1=O 482551760 IHWNEHQTCNOFHR-GFCCVEGCSA-N 414.512 0.661 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 488965752 ALLNEZZCKGBDIP-NSHDSACASA-N 401.514 0.158 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccncc2)c1=O 489029853 VAQTUCFSSMDLMU-MRXNPFEDSA-N 413.499 0.840 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)OC)CC1 490018294 PQFDHKAULNAMHL-CVEARBPZSA-N 403.501 0.383 30 20 HCED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502374282 AEAQKIOWYNHIRE-QZTJIDSGSA-N 407.492 0.899 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 506783125 PQKOLGWAVSSEDD-UHFFFAOYSA-N 420.491 0.922 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508957223 XRMYQIDXPVLGPX-AWEZNQCLSA-N 406.487 0.115 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 515160311 SOEQZVWABYEQNP-OALUTQOASA-N 420.535 0.721 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccncc3)c2=O)cn1 523179606 YWAWYMQLNIZUEM-UHFFFAOYSA-N 406.471 0.292 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(-n3nnnc3SC)c2)C1=O 523410669 DLGRJBWPJUYHFX-UHFFFAOYSA-N 401.408 0.300 30 20 HCED COC(=O)Cn1ncc2c(=O)n(CC(=O)Nc3cc(Cl)ccc3C#N)cnc21 524622297 FPOLDGGSIHBHEH-UHFFFAOYSA-N 400.782 0.930 30 20 HCED CCOC(=O)c1ccc(C#N)c(SCC(=O)NC(=O)N2CCC[C@@H]2C(N)=O)n1 525111384 VEPPURKWZZIHMT-GFCCVEGCSA-N 405.436 0.408 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCc1ccccn1 531369900 BERNBDYGBHXYQC-UHFFFAOYSA-N 421.507 0.730 30 20 HCED CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(CC#N)CC(=O)OC 534138786 KIUXZHNODKEUIW-UHFFFAOYSA-N 405.454 0.144 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)c1C 536423133 XPBOCWYRDKAUNG-LLVKDONJSA-N 403.464 0.849 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 540800105 TULWOZXNTWHCJB-UHFFFAOYSA-N 401.435 0.784 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCNS(=O)(=O)c1ccccc1 541895349 MGFGFDHDBKYFMM-UHFFFAOYSA-N 405.484 0.416 30 20 HCED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 542999603 JDOLGEUXYVGRPF-ZDUSSCGKSA-N 412.381 0.474 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 548134117 OQVZZXAFBPFCDQ-UHFFFAOYSA-N 406.464 0.578 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C2=O)cc1 554694855 QKKUWIUIBBGNCX-WOJBJXKFSA-N 423.517 0.862 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CCN1Cc1ccccc1 555909223 QXUPJSLXWBJPGR-FQEVSTJZSA-N 423.517 0.740 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(OC(F)F)cc2)CC1 559440438 GDBAZDJHXDNUIR-UHFFFAOYSA-N 424.448 0.393 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c([N+](=O)[O-])c1 564011827 NWKCLGJKVOGFFJ-UHFFFAOYSA-N 420.407 0.323 30 20 HCED COc1ncccc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564664413 VROGBLKLZBKTBB-KRWDZBQOSA-N 407.430 0.495 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2cccc(O)c2)c1 570733783 URAGMCZNAWCWFR-UHFFFAOYSA-N 416.459 0.478 30 20 HCED C=CCOC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccc(F)cc2Cl)C1=O 573809986 XXCCCJDEZFLYNW-GFCCVEGCSA-N 405.835 0.880 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CC(N)=O 589157214 MMWSJEISOCXSTC-UHFFFAOYSA-N 421.425 0.725 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O 604527798 JBHGKSJSRKMKHO-INIZCTEOSA-N 413.409 0.511 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O 608911300 ZKZBPUURLCRCRW-UHFFFAOYSA-N 412.515 0.546 30 20 HCED C=CCN(C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 609847567 UUDPLGUMYHWOFC-NSHDSACASA-N 417.465 0.366 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)n1 610700714 DZHQMEYVJZOWCD-LBPRGKRZSA-N 411.422 0.436 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)O)cc1 611527890 FJXAAYYWVIDPPC-QRQLOZEOSA-N 422.551 0.715 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 615257085 ULJAUBUVIWTTBO-UHFFFAOYSA-N 411.436 0.204 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 728571182 XPUXKOXAWXWWLY-MSOLQXFVSA-N 414.506 0.040 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 729256908 MBAINJVUQSXXRI-QGZVFWFLSA-N 412.490 0.332 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4cnccc34)c2C)CC1 731192244 VWYRJCORGYSSPE-UHFFFAOYSA-N 417.473 0.631 30 20 HCED O=C(NCCNC(=O)c1ccccc1Cl)NCCN/C(O)=C1/N=CC=CC1=O 732444465 MQRFXSDAUWEPPT-ICFOKQHNSA-N 405.842 0.895 30 20 HCED CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732899438 VNWHFFJMTGURRI-AKFGLMPPSA-N 424.523 0.961 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O 733119542 YKHMTYQNLOTJCN-STQMWFEESA-N 408.455 0.820 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C1=O 740830365 XNYOMQZDINCGJL-CHWSQXEVSA-N 408.455 0.725 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)cc1 746616753 IHMJSNGNSJFCEO-OAHLLOKOSA-N 407.492 0.308 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 748458584 XZZHQAKNKBOXOL-UHFFFAOYSA-N 422.493 0.798 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)CC1 748834006 DPLADSOCSGVCDO-UHFFFAOYSA-N 400.498 0.680 30 20 HCED CCCN(C)C(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749634387 UKTDTJPMAWUYMP-CYBMUJFWSA-N 410.521 0.495 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)OCCNc1ncccc1C#N 750331099 FXXGRASCIHXNSH-UHFFFAOYSA-N 418.421 0.786 30 20 HCED C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 752849193 SXNLUJQDDZJKEJ-SJORKVTESA-N 407.540 0.505 30 20 HCED CC[C@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 756196231 RTDIKGIAPDWANM-CHOFAJOMSA-N 424.523 0.963 30 20 HCED COC(=O)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(C#N)cc1 756748529 NLPRBQAVNCJMCV-ABAIWWIYSA-N 406.420 0.416 30 20 HCED CS(=O)(=O)[C@H]1CSCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 756944683 ARNKROXIEISNNB-HNNXBMFYSA-N 402.519 0.419 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758049711 JUPZMIISVNVHAF-UHFFFAOYSA-N 408.439 0.577 30 20 HCED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2CCN(CCC#N)CC2)C1=O 760945392 XAJZYJCIMUZBFX-OAQYLSRUSA-N 412.494 0.492 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(C3CC3)s2)c1=O 761835329 HELXOFIIJXHVRT-UHFFFAOYSA-N 418.544 0.918 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cn1 762008818 ZWLWBESALKGFGC-KRWDZBQOSA-N 410.434 0.382 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 766985638 XPTWXEIKQQUTCQ-OAHLLOKOSA-N 416.434 0.848 30 20 HCED CCOC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(O)c1 768916531 DLJZZMIQPDEYNZ-KRWDZBQOSA-N 417.443 0.851 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1)c1cc[nH]n1 770823186 LEYPMJLCCZTBGT-NSHDSACASA-N 423.451 0.218 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21)c1cc[nH]n1 772358150 JHCFJBWLAKFOHP-KGLIPLIRSA-N 412.468 0.262 30 20 HCED C#C[C@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@H]1CCCO1 775616898 GRVPKPPVVVARBY-JKSUJKDBSA-N 407.496 0.466 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780062480 OTRHIZCOIJLCRQ-INIZCTEOSA-N 415.494 0.929 30 20 HCED COC(=O)N(C)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782906516 SHGOLSLTJZEYJA-UHFFFAOYSA-N 417.466 0.902 30 20 HCED N#Cc1cc(C(=O)O[C@H]2CO[C@@H]3[C@H](OC(=O)c4ccnc(C#N)c4)CO[C@H]23)ccn1 798866165 FQZHXRNFEVJVLN-XMTFNYHQSA-N 406.354 0.769 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)c(F)c1 802570865 YWHLPLVQUYKKFM-ZDUSSCGKSA-N 414.430 0.937 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 803935402 OVBCNJJAGMRPEG-ZDUSSCGKSA-N 400.501 0.437 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccncc1 805814127 PTOWVUFTYGAGMW-SFHVURJKSA-N 401.511 0.828 30 20 HCED NS(=O)(=O)c1cc(C=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1F 807966659 DRSXDGFPNHBCRE-UHFFFAOYSA-N 416.412 0.835 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 808328754 SNRRKTIBQMFQRU-HNNXBMFYSA-N 401.533 0.704 30 20 HCED CCOC(=O)C1=C(CN2CCN(c3snc(C)c3C#N)CC2)NC(=O)N[C@H]1C 810063369 UIHWHFSKCZZOBI-LBPRGKRZSA-N 404.496 0.964 30 20 HCED 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CCOC(=O)c1c(NC(=O)CN2CC[C@@](O)(CC#N)C2)sc(C(=O)NC)c1C 1473584623 YNJJUBXMUWPYTJ-SFHVURJKSA-N 408.480 0.882 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1516182580 LDKOBQLMRAIGAT-DLBZAZTESA-N 416.404 0.753 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCCS1(=O)=O 1541664755 MZVYCEAGXRMCNL-GOSISDBHSA-N 423.543 0.582 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556458093 ZRTKAGQIXWQUJB-KYNGSXCRSA-N 412.490 0.831 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1618662305 TZBAGWGEXOVOTB-UHFFFAOYSA-N 416.507 0.824 30 20 HCED CC(=O)N[C@](C)(C(=O)N1CCN(CCC#N)CC1)c1ccc(S(C)(=O)=O)cc1 1635905841 NNXYYCNLMRALHX-IBGZPJMESA-N 406.508 0.499 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCOC[C@@H]2C)CC1 1637999948 USPGXPXTBSFHOD-HOTGVXAUSA-N 420.535 0.937 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1723780809 VIAITCDYNPSOPK-UKRRQHHQSA-N 422.515 0.131 30 20 HCED 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RGBYBDXEJBGAGY-FQEVSTJZSA-N 416.434 0.242 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccc(N(C)C)c3)C2)C1 1839806179 FHTKDNMFRYLZPC-OAQYLSRUSA-N 401.463 0.221 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1)C(F)(F)F 1839891300 XODSRTBJNSJDEX-PBHICJAKSA-N 421.416 0.476 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1)C(F)(F)F 1839893126 PAXCZFFWTWRWFM-KRWDZBQOSA-N 414.384 0.974 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1840160011 ULLXHOSPBZDLFR-VCBZYWHSSA-N 409.508 0.636 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840160723 QHEOAKHPFIIWCY-FZKQIMNGSA-N 405.480 0.118 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840161512 RSPOEFWSHWDMOK-KUHUBIRLSA-N 404.492 0.723 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840163182 NQXVYPLKRBNVCC-RISCZKNCSA-N 407.330 0.689 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840170414 DOSHIOOFSIZJSJ-JTSKRJEESA-N 414.506 0.775 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233677 XXOCBHYUMUKKAC-UWJYYQICSA-N 405.495 0.163 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840840341 MWOLNLBGVMOUMS-FQEVSTJZSA-N 419.503 0.348 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1841599093 PFSDCKZVTHKPKL-AWEZNQCLSA-N 405.476 0.340 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CS(C)(=O)=O)C2)c(C#N)c1 1842779723 PLYOMEYKMDTNHN-UHFFFAOYSA-N 405.476 0.357 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845255809 SHNNAYOJJYSUDD-AWEZNQCLSA-N 419.438 0.761 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)ON=C(C)C 1847786454 REOITZHGKRCQGA-XGUBFFRZSA-N 402.517 0.317 30 20 HCED Cn1c(Sc2ccc(S(=O)(=O)N3CCCCC3)cn2)c(C#N)c(=O)n(C)c1=O 14263995 VFGKTVWGOKVQSB-UHFFFAOYSA-N 421.504 0.676 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC(=O)NC3CCCC3)CC2)cc1 15545104 MJYCUYVNBUQCNN-UHFFFAOYSA-N 419.507 0.633 30 20 HCED CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1 409564814 DEGWAJXEMGHIBT-AWEZNQCLSA-N 402.542 0.940 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 435219481 ZZAXPVJARXYCIG-HNNXBMFYSA-N 420.491 0.922 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 435624402 CFWZPIALFPNYTD-UHFFFAOYSA-N 411.441 0.754 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 439605651 BBDMGXCCGYRUMV-INIZCTEOSA-N 424.461 1.469 30 20 HCED COc1cc(NC(=O)CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc(OC)c1 442008599 COILOENNISCVBU-UHFFFAOYSA-N 414.422 1.046 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)n1 444572837 SNXJALRIHYOMEU-UHFFFAOYSA-N 400.483 1.423 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 465326527 XBNBLZCSDRKOEY-UHFFFAOYSA-N 423.477 0.520 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)C1=O 467674820 VWEYDUAWKJOFEP-PVAVHDDUSA-N 409.508 0.268 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 470765163 KDRMXECFBBHVIJ-SCLBCKFNSA-N 406.464 0.259 30 20 HCED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 473226030 SSZGJAZEGITFHH-XMSQKQJNSA-N 408.458 0.697 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 481778881 LPXULZAKKGYJIU-AEFFLSMTSA-N 419.551 0.463 30 20 HCED N#Cc1ccc(N2CCC[C@H](N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2=O)cc1 489982853 YXVQHUMPVIWDCI-GBESFXJTSA-N 418.519 0.141 30 20 HCED N#Cc1ccc(NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 498062451 ITBPKBSCDWAJGY-UHFFFAOYSA-N 415.475 0.702 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cc4n(n3)CCCC4)C2=O)cc1 500399423 PVEJXUVQZJMTMU-QGZVFWFLSA-N 406.446 0.947 30 20 HCED N#Cc1ccc(NCC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc1 502092294 OBEJJCQFSZUWKC-UHFFFAOYSA-N 409.475 0.779 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 503731251 FVOKPAIRLCFOGR-UHFFFAOYSA-N 407.434 0.490 30 20 HCED N#Cc1cc(F)cc(C2(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)CC2)c1 505912284 KUDCHCCQZCBWQT-UHFFFAOYSA-N 414.437 0.259 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1=O 508104071 IOHPTPSPNPZDKM-DOTOQJQBSA-N 421.519 0.519 30 20 HCED CN(CCn1cccn1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 516753950 VBMLZZUQTNOFCM-UHFFFAOYSA-N 416.507 0.220 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)C1=O 517811936 NQHSUTHBVZQHPX-UHFFFAOYSA-N 414.827 0.627 30 20 HCED C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCO[C@H](C#N)C1 518004042 XSCUDDAEPHTDGJ-GDBMZVCRSA-N 408.480 0.259 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)C1=O 522246442 RXEJONOWEVEZFO-CQSZACIVSA-N 413.434 0.544 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 531370674 RTJVLEFKOLXSGP-SNVBAGLBSA-N 400.485 0.447 30 20 HCED C[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 532824485 XPZKCTYMUNNOKG-ZDUSSCGKSA-N 413.521 0.508 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 534288342 GVXFHXNHTRMFON-UHFFFAOYSA-N 415.479 0.760 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C(=O)O 543786128 DALIJXGAYHFEBB-LBPRGKRZSA-N 408.523 0.375 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 550978944 RMUNDPMNPLBMSL-UHFFFAOYSA-N 420.473 0.425 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)n2)c(F)c1 551433135 IWPYMQHQVQRSRM-RDTXWAMCSA-N 410.409 0.995 30 20 HCED C[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 553242326 SKLKMQKHUPXHHP-YBWZTWLNSA-N 410.430 0.484 30 20 HCED C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cc2)C[C@@H](C)O1 554290778 WNDZDVMCQQCMRR-GASCZTMLSA-N 411.466 0.899 30 20 HCED CN(CCCO)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 555020981 GJDYDSILPSYHLB-UHFFFAOYSA-N 411.466 0.383 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 556005393 GFDSJSDJJMPQQO-UHFFFAOYSA-N 400.523 0.902 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCNS(=O)(=O)c1cccs1)CC2 563608939 PYHWPRPRZCGQRX-UHFFFAOYSA-N 404.473 0.604 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 568776117 NAEKSMZXASFQML-CYBMUJFWSA-N 419.438 0.715 30 20 HCED COCCOc1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 570653917 ZVBMTUIDLAAAOG-UHFFFAOYSA-N 423.473 0.943 30 20 HCED COCCOCCN(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 573999973 SKOFBGJWYHMOIV-UHFFFAOYSA-N 405.842 1.457 30 20 HCED CN1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 576670363 QKYGNXFAVGETSL-IRXDYDNUSA-N 402.561 0.649 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 581242602 PKPDEOXOJIKAID-AWEZNQCLSA-N 404.427 0.079 30 20 HCED COc1ncccc1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585710750 PPNPTROVDXNTAA-UHFFFAOYSA-N 410.434 0.792 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 588292410 RDSMQXFXWCZMFS-GFCCVEGCSA-N 419.463 0.920 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)nc1 588781439 QXQRYIIHMVFAIK-GOSISDBHSA-N 424.505 0.509 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CC1 590998805 YERCGBPQCCMWKL-UHFFFAOYSA-N 409.467 0.821 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 603590796 HDTQJJYIEQQVOI-LBTBCDHLSA-N 421.457 0.879 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(=O)N(C)C 604269943 JZSZGDCOAVCZNZ-UHFFFAOYSA-N 404.517 0.089 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NC3CCN(CC#N)CC3)c([N+](=O)[O-])c2)CC1 609334278 VDCLGVZAWSHLKY-UHFFFAOYSA-N 422.511 0.931 30 20 HCED CSc1nc(O)c(C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)cc1C#N 609771598 QBXTWKXRAGNAJX-ZDUSSCGKSA-N 419.507 0.386 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)C1=O 623217223 PLEOJKVCCOUTRX-UHFFFAOYSA-N 404.467 0.604 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(N)=O 684534587 BRLNPVQQXBJULT-GFCCVEGCSA-N 401.492 0.291 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 728530918 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C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OCC)c1=O 758067009 FGIUQEUXMVROPJ-UHFFFAOYSA-N 411.483 0.207 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758069213 NRSPYMSAVKTROL-UHFFFAOYSA-N 409.467 0.365 30 20 HCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2CC(N)=O)c1 763460354 JKPPCYMFRCRKOQ-UHFFFAOYSA-N 420.494 0.736 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C1CCN(C)CC1 767882923 JUQPKNSVWCNKTN-UHFFFAOYSA-N 417.560 0.662 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)c1 773469306 FDPFHSLRDHLNQV-UHFFFAOYSA-N 416.507 0.802 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 773952673 BIHPSEPNPTUYLQ-CYBMUJFWSA-N 409.464 0.135 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCCO1 775801614 YKKARDORDZRSOW-OALUTQOASA-N 405.520 0.431 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 777849417 MKZSUZTUDJXFLN-FQEVSTJZSA-N 410.455 0.848 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 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0.975 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1674963033 RRIGVIPZPMUAET-STQMWFEESA-N 405.430 0.595 30 20 HCED CCc1nnc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)s1 1694619353 ZAVYXLGIQPGHKR-GFCCVEGCSA-N 402.484 0.591 30 20 HCED CNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1696936918 ZMGGZVSJGZMKGN-HOTGVXAUSA-N 409.450 0.366 30 20 HCED COCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1712425744 KJEUJYFIEGOEFP-YOEHRIQHSA-N 414.507 0.200 30 20 HCED Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)n1 1729588985 RYYVFRWMVWCUNA-OAHLLOKOSA-N 412.479 0.617 30 20 HCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)[C@H](C)C1 1741044768 POLVINNALHDFIA-ZHRRBRCNSA-N 423.521 0.940 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1748295857 PFXYSSHXOMPFOC-MRXNPFEDSA-N 404.496 0.455 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1750389484 ZTKHKPWIFLAPNH-CRAIPNDOSA-N 409.512 0.462 30 20 HCED 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410.421 0.599 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NNC(=O)C1 1797682031 MGBFNIJHOLERNN-CCWDJLKJSA-N 418.570 0.503 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C(F)(F)F)n1 1798086064 HBXULZAHVHXUHS-CULMDFNYSA-N 411.336 0.392 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnncc2C(=O)O)c1 1798100623 AFLMJQLSWONLLI-JLVBRIDZSA-N 421.413 0.563 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc2c1OCO2 1798469379 MDZILZKONKZQAJ-YWVIFJGQSA-N 405.476 0.933 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800632107 KKOXHVXBMLSPIU-UVBQOVKKSA-N 400.475 0.218 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1800985619 LHCSFEYYXHTWJC-VFFTVRQLSA-N 404.492 0.488 30 20 HCED CNC(=O)CC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803478666 CLACBHPZYPUFEX-UBUVPOOTSA-N 414.510 0.695 30 20 HCED C=C1CC(C(=O)N2CC[C@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2c2cccnc2)C1 1804086971 CKAPKXULRJKGCB-DNVCBOLYSA-N 411.462 0.605 30 20 HCED CNC(=O)CC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807143601 MXRDZFBRLMJCGW-VQIMIIECSA-N 414.510 0.505 30 20 HCED CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1810309192 PNQQCWVHSYKVPN-DOTOQJQBSA-N 414.535 0.875 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)C(=O)Nc2cccnc2)[C@@H]1c1cccnc1 1810465243 LMVWDINWKYVHET-BEFAXECRSA-N 421.413 0.209 30 20 HCED CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1814626838 VARUDDWAOVHZOV-ZCGJJJPHSA-N 423.495 0.672 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 1815821155 KDUAGQBAOZOEHH-ZDUSSCGKSA-N 415.366 0.295 30 20 HCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1819776493 DDEITPYFMZIFIV-VSMYLPJWSA-N 417.495 0.403 30 20 HCED O=C(COCCO)Nc1cc([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)[nH]n1 1820926937 MYOXMQXKFLCYFR-SRKDWSFESA-N 423.470 0.940 30 20 HCED COCCn1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825665663 TULQQFQHQXXNGU-LLVKDONJSA-N 417.447 0.300 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CSc3nc[nH]n3)sc2C1 1826675249 MWIKBACQANVSLR-MRVPVSSYSA-N 406.449 0.054 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827196113 OQKZYSYDNDBNDF-QGZVFWFLSA-N 416.530 0.575 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cnncc2C(=O)O)CC1 1829254605 IBUPLOOBJZIGNQ-MRXNPFEDSA-N 414.418 0.496 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C1 1829860395 AEMUZSOHQJSEPR-QAPCUYQASA-N 417.453 0.569 30 20 HCED CNc1nsnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831207283 BNKPUCXAMFQTFD-GOSISDBHSA-N 405.480 0.063 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1831253435 GLKHMLXYOXPEMS-WIYYLYMNSA-N 412.446 0.550 30 20 HCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1832758673 BMAUHACPTFCBDB-NRFANRHFSA-N 416.478 0.639 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(F)c1 1833631524 WVZMPJZTNLIFOI-FQEVSTJZSA-N 418.425 0.603 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835172921 QFPPHOALMVPANK-VLIAUNLRSA-N 422.503 0.733 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccc5[nH]ccc45)C3)C2)CC1 1835342382 SKPZPZFMSOFCGV-OAQYLSRUSA-N 409.446 0.937 30 20 HCED COc1ccccc1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835362271 JOWCJWGSTRCUFL-OAQYLSRUSA-N 401.463 0.998 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)s1 1836084292 HRXNEGHAVPUVME-BZNIZROVSA-N 400.526 0.164 30 20 HCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)C#N)CC2)CC1)n1cnnn1 1836580669 DVKLIHJZQWXDFZ-CQSZACIVSA-N 403.487 0.782 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1837440164 DLLSJNLLHLLYAR-QYFNWXPYSA-N 418.538 0.961 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837563672 TULYJBDBJDWION-QCGXUGPJSA-N 411.405 0.810 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837952237 OYEOEVLSBNSGNS-IERDGZPVSA-N 417.462 0.199 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838067318 AGNGEPDKXXCRJL-QRWLVFNGSA-N 404.467 0.954 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1838210708 NDYRCSMYNXOICS-LJQANCHMSA-N 406.508 0.774 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)c3C)CCO2)C1 1838380517 QADPPHKIPCCMOV-XMSQKQJNSA-N 417.506 0.750 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCN(C)C3)CCO2)C1 1839062615 DXFJQCKMYZHOCB-ZWOKBUDYSA-N 413.584 0.739 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)CC=C)CCO2 1839838009 FBEHGRIXIXTWGS-KSALOMHHSA-N 405.495 0.513 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840292507 UTYJYLDJFXJOQA-OAQYLSRUSA-N 402.495 0.842 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840383296 OWXMFTYFVAPTOP-NRFANRHFSA-N 400.479 0.533 30 20 HCED C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840391037 QKVVNZAECHSALH-DNVCBOLYSA-N 404.492 0.932 30 20 HCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814053 LUNLICUXEGRRCS-VKGTZQKMSA-N 411.524 0.295 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842882483 PKEGTASVXRQOBV-CYBMUJFWSA-N 408.503 0.142 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844284920 YTNDGWSNBOUSEQ-KRWDZBQOSA-N 410.467 0.667 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)COC(=O)C(F)(F)F)C2 1845188703 WWGZBNDWEFOOHY-UHFFFAOYSA-N 406.357 0.805 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC=CC[C@H]2C(=O)OC)C1 1846338137 QNRYDLZAAYUJEH-CZDHMLMNSA-N 415.490 0.804 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846982589 YMCQODXXFKJAIA-OAHLLOKOSA-N 419.503 0.821 30 20 HCED C=CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 9082848 XATHTDGKYWFUJU-ACJLOTCBSA-N 406.460 0.713 30 20 HCED C=CCNC(=O)COC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 11353697 SSNYQUFPRGOVFQ-UHFFFAOYSA-N 412.464 0.104 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22033402 FAYXFMVZKXRMGX-SECBINFHSA-N 405.816 0.760 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 144456498 MWMULRWASXNKHK-OAHLLOKOSA-N 415.494 0.954 30 20 HCED COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409587861 RZAXFCRYVRSZOE-INIZCTEOSA-N 414.915 0.935 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCCC(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410116262 OTMTZEDTUHAWBG-CALCHBBNSA-N 404.511 0.647 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 410399755 GIFVTISPMSGXIJ-ZIAGYGMSSA-N 412.516 0.302 30 20 HCED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 438877858 VYCRTGSIYNEELL-HNNXBMFYSA-N 401.467 0.717 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 442403503 GGCDIWWXFRKKSZ-AWEZNQCLSA-N 410.434 0.859 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 443081586 WBVAYOTXVIFPMN-HNNXBMFYSA-N 408.436 0.868 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)ccc1OC(F)(F)F 443327004 MEHRSFCCXKDIOY-JTQLQIEISA-N 406.342 0.285 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cnn1-c1cccc(C#N)c1 443697164 WNVRXAUXPQNGLW-LBPRGKRZSA-N 418.479 0.428 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)cn2)CC1 446672753 QUFQUILZSDQKOJ-UHFFFAOYSA-N 410.272 0.229 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 447455563 YMJRTKZCTIFBLQ-HZPDHXFCSA-N 405.451 0.768 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)cc2)c1N 447770762 UNDNEPWFPLDGKL-KRWDZBQOSA-N 414.491 0.966 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C#N)cc1 464794277 MLKMBBHIGKUALM-INIZCTEOSA-N 411.480 0.335 30 20 HCED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 468082405 IIVNKDACPUZAFD-ZDUSSCGKSA-N 415.841 0.866 30 20 HCED Cn1ncc(C(=O)NCc2cccc(CNC(=O)c3cnn(C)c3C#N)c2)c1C#N 476512002 SLIUDQHSNGCDMG-UHFFFAOYSA-N 402.418 0.757 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCN(C)c2ccccc2F)CC1 477459499 OOHFIKYAFPCQCQ-UHFFFAOYSA-N 419.501 0.215 30 20 HCED COc1cc(F)cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 481171747 WGZROYXJDFEUBR-UHFFFAOYSA-N 414.441 0.713 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487108209 FGXWQEUGKNSJHU-QGZVFWFLSA-N 419.507 0.382 30 20 HCED C=C(C)Cn1c(SCC(=O)N2CCN(C(=O)CO)CC2)nnc1-c1ccco1 497437029 HFYPFAZCDIXALE-UHFFFAOYSA-N 405.480 0.869 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1 507783378 MVTQACIRTDWMTB-YJBOKZPZSA-N 400.479 0.863 30 20 HCED CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1C 515326153 UPWQXLIEIUARFE-OALUTQOASA-N 411.506 0.968 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1Cl 515970119 BZGJRBNPFWAXBJ-UHFFFAOYSA-N 417.853 0.443 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(CC)n2)c1=O 517983826 ADGKEDHVDCUNTJ-UHFFFAOYSA-N 406.533 0.604 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 518509594 GJDWYJVRJYNTJU-LBPRGKRZSA-N 422.488 0.772 30 20 HCED CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C 519722797 IATFNVUJOZNKTI-BXWFABGCSA-N 411.506 0.716 30 20 HCED COc1ncc(NC(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1C(N)=O 519727195 PQRMYLJGEYCQJW-UHFFFAOYSA-N 411.418 0.674 30 20 HCED CCOCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C 521674167 ADGSTGICGJHLSJ-MRXNPFEDSA-N 408.524 0.748 30 20 HCED N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 524281291 PHPJBLOMJAXWTB-UHFFFAOYSA-N 412.427 0.176 30 20 HCED CC1(C)[C@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C[C@H]21 525121841 GWWNJRBOKVPXTP-CALCHBBNSA-N 402.520 0.979 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 537489249 KSWHDXNZOCPEDW-QGZVFWFLSA-N 410.478 0.687 30 20 HCED CN(C)C(=O)NCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 538315634 JSEVMHZMDUPMRC-UHFFFAOYSA-N 421.523 0.689 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc1[N+](=O)[O-] 539805483 ONWDRGYDEYTUEF-UHFFFAOYSA-N 419.419 0.950 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548369989 VKRYUYQFIANZAY-UHFFFAOYSA-N 411.465 0.322 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 551409737 JAOKMZCUFOPMSE-HNNXBMFYSA-N 423.495 0.425 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 552504146 JJOIHAIAGZMEAI-UHFFFAOYSA-N 404.536 0.482 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1=O 554149898 DSRPXNCFVFNCDZ-OAHLLOKOSA-N 401.442 0.473 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 561939208 MIMLAFBTYBJLEJ-UHFFFAOYSA-N 423.886 0.519 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1CCC[C@H]1C(N)=O 573232901 ZARSJGZPWXRFMP-ZDUSSCGKSA-N 415.313 0.939 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2snc(C)c2C#N)CC1 577253684 RQOJNUFMMIDRJR-OLZOCXBDSA-N 422.511 0.611 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCN(C)CC1 578125287 VYNLPAMYNHYPNS-SFHVURJKSA-N 424.509 0.466 30 20 HCED COCc1nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)sc1C(=O)OC 579900570 MKPXOXOMPNNYGG-UHFFFAOYSA-N 424.460 0.865 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN3CCC[C@@H]3C2)CC1 585725223 KFCCGZFIVRORJV-HZPDHXFCSA-N 412.494 0.815 30 20 HCED C=CCNC(=O)CN(CC(=O)NCC=C)S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 589982006 BLQOURMDIVJNMM-UHFFFAOYSA-N 424.479 0.807 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)C1 610232599 CROOXYNUWPQZCF-HNNXBMFYSA-N 402.480 0.870 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1 674453683 VWYWZCLYUWSNPP-KUHUBIRLSA-N 420.491 0.601 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1=O 726042368 BDWGDKMWNARSJA-UHFFFAOYSA-N 416.346 0.004 30 20 HCED CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 727013067 ONUHCSISUOTBBO-CJNGLKHVSA-N 421.475 0.255 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)CC1 729371637 NUVCPCJNVKPCQI-UHFFFAOYSA-N 410.396 0.329 30 20 HCED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 737860642 WBQMRPNDFPRLON-UHFFFAOYSA-N 414.871 0.661 30 20 HCED CS(=O)(=O)c1cccc(OCCOC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 741340691 NHURRERCXDVILV-ISLYRVAYSA-N 408.432 0.929 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741373384 KGUMCPCMDRBJKZ-AWEZNQCLSA-N 410.471 0.617 30 20 HCED CC(C)CCS(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744123645 PPXPPTVFJGLGDK-GFCCVEGCSA-N 401.510 0.996 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)CCC)cc1 749634879 YZWFJMCLNRIZBB-MRXNPFEDSA-N 409.533 0.982 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)c1 764036087 YBTDZMYVMPESFS-HNNXBMFYSA-N 406.420 0.194 30 20 HCED C#CC[C@@]1(C(=O)N(C)C[C@@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 764613564 QCPRGILWXMBREL-UTKZUKDTSA-N 409.527 0.931 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 767468804 UDEGOCFIAFKLJD-CABCVRRESA-N 414.528 0.513 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)C1=O 767532469 OURRFUDBSCXWPD-KRWDZBQOSA-N 413.500 0.988 30 20 HCED COc1ccccc1CNC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769642259 VECZRIPHMMFGPQ-UHFFFAOYSA-N 417.443 0.705 30 20 HCED C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)[C@@H]1CCCO1 775344629 ACISDCJKIJGHMZ-ZNMIVQPWSA-N 424.475 0.906 30 20 HCED C#C[C@@H](NCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)[C@@H]1CCCO1 775795152 MNJVOAXOWRJZOL-NEPJUHHUSA-N 419.459 0.757 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCCO1 775795657 PDVHRLBCGWSMNN-PMACEKPBSA-N 419.547 0.907 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC[C@@H]1O 778896872 DBIKIMSCMSTHJA-WIAOGZMSSA-N 422.507 0.667 30 20 HCED CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(=O)NC2(C#N)CCC2)c1 784190851 BZOXNEFGBTVYEG-UHFFFAOYSA-N 424.479 0.060 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1)C1CC1 784917887 AIFKGYGHPXSSSR-UHFFFAOYSA-N 418.519 0.576 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3ccccc3n2CC)CC1 785448404 SFFHZSMAZHHOCK-UHFFFAOYSA-N 412.494 0.119 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)c1 788166772 MMXVHPAAABWAPQ-UHFFFAOYSA-N 423.472 0.464 30 20 HCED C#CCC1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 788499236 VQVOOZSMOURMLC-INIZCTEOSA-N 416.565 0.621 30 20 HCED NC(=O)CNC(=S)NN=Cc1ccc(Br)cc1N1CCOCC1 788715920 WESXSAQLNCYHFZ-UHFFFAOYSA-N 400.302 0.569 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)n1 789788640 KEFMAGDVUORVSY-UHFFFAOYSA-N 411.466 0.953 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccsc1 790434172 NQQYQOKWFHKSJE-UHFFFAOYSA-N 414.512 0.565 30 20 HCED CCC(CC)(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 803231352 LSVGNLZWBASCIW-UHFFFAOYSA-N 410.448 0.817 30 20 HCED N#Cc1ncn(CCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)n1 803553246 GMFJLYGJGJXBOZ-UHFFFAOYSA-N 424.870 0.254 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CN(C)Cc3ccccc32)n1 807676258 MSVHUHGUPCNUHQ-FQEVSTJZSA-N 409.490 0.794 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCCO1 807969152 MCOPIXMQSCLBQH-KSZLIROESA-N 419.428 0.869 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1)[C@@H]1CCCO1 809304232 GLHZVBHNASDFIV-ULQDDVLXSA-N 404.536 0.450 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 813635515 WDAUESCHNLQIRX-UHFFFAOYSA-N 420.539 0.294 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(Cl)nc(N)n3C)nc2)CC1 814745661 CXTNWPUSBWRPQO-UHFFFAOYSA-N 412.907 0.433 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cc2)c1=O 838176413 QLGJNUQZAZZMIL-OAHLLOKOSA-N 415.515 0.519 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 843375222 XXSWDCDOEAAMAL-CYBMUJFWSA-N 411.505 0.293 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)CCc2c(C)nc(O)c(C#N)c2C)C1 919011274 ZFCIUQMEQZQATH-HNNXBMFYSA-N 402.451 0.879 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 919014777 FNGSUZBCWKFMPH-MRXNPFEDSA-N 412.446 0.610 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1303771278 JNNQDAQDBAIIMQ-LIRRHRJNSA-N 419.507 0.837 30 20 HCED CCOC1CC(O)(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1314264911 ULEFXYYEVZENLS-XAUUPUKJSA-N 404.471 0.059 30 20 HCED N#Cc1ccccc1S(=O)(=O)NC(=O)CSc1nnnn1CC(F)(F)F 1318333901 XRKRKIUNKZRWLR-UHFFFAOYSA-N 406.371 0.704 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)CC[C@H]2C1 1468853625 VSHCUMVKONMDGH-GUTXKFCHSA-N 417.466 0.972 30 20 HCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCOC2)cc1 1504231769 XHGSTLSDISTCGV-RXVVDRJESA-N 413.478 0.952 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCCn2cc(CO)nn2)CCO1 1521130219 SKQSXILBROMBHY-HNNXBMFYSA-N 412.429 0.987 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1545928740 ISJRBVQDVRCJDQ-DOTOQJQBSA-N 419.530 0.646 30 20 HCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1554930970 VPVILSLIKUTLNG-CJNGLKHVSA-N 420.495 0.674 30 20 HCED N#C[C@H]1CC[C@@H](NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1564891015 ITYCBLHTYHGDNA-QWHCGFSZSA-N 406.464 0.822 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(S(N)(=O)=O)c3)CC2)cc1 1657359570 YKFXLDHLQZYHDJ-UHFFFAOYSA-N 420.516 0.712 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1706748031 SEARMFCPCMOKRL-MNOVXSKESA-N 422.433 0.597 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1ccnn1 1741931376 NKYJQZXWCKTGLA-PBHICJAKSA-N 421.531 0.700 30 20 HCED CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768308791 VGSCWQCMDNHJMS-OFJJUDJNSA-N 419.555 0.459 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nn(C)c4c3CCC4)CCO2)C1 1778971938 OMEUYLZPNHXTGQ-VGSWGCGISA-N 416.522 0.925 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C3(C(=O)OCC)CC3)CCO2)C1 1778973545 LGTGFJDZTIGSMB-YWZLYKJASA-N 408.495 0.733 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021766 VMMNTRQEZSQLSY-XSPLDFTMSA-N 405.499 0.328 30 20 HCED 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30 20 HCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782846775 PJEXHXWJZGKYCN-APPDUMDISA-N 411.384 0.887 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1783054083 CEAMPZYJXFDLBD-VFNWGFHPSA-N 414.462 0.085 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C(=O)O)ncn1)CCO2)C(F)(F)F 1783203053 QYZZAXWNKUKBEE-INIZCTEOSA-N 414.340 0.737 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)[C@@H](O)C=C)C[C@@H]21 1783531782 WSFYAXSGTIRTPJ-HLPXXCTFSA-N 419.522 0.398 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1783771627 UQYZGOBRROHZRY-STXHMFSFSA-N 411.499 0.667 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1784485313 JPCZSAQVTZMICS-AESZEHBQSA-N 404.467 0.060 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1785016498 IJUXDRPMLRGUJT-IHRRRGAJSA-N 408.528 0.218 30 20 HCED O=C(CNC(=O)c1cccs1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 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C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836137841 ODLZMBBZNHKSTC-OAHLLOKOSA-N 417.510 0.546 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)C1 1836643994 OVUZCCBKSLXEGZ-GCJKJVERSA-N 413.474 0.996 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1837302958 IKZWOSAAJMPVMR-FTRWYGJKSA-N 407.467 0.320 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@H](C)CC)C2)C1 1837393612 WTFHLTYFUWYXSC-WOYCLPQFSA-N 412.527 0.423 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)c1 1838075251 DZLORSHEUMADOO-FQEVSTJZSA-N 413.522 0.765 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838652182 TZEZXURJKQAWPS-QRWLVFNGSA-N 420.466 0.658 30 20 HCED Cn1nc2c(c1C(=O)N1CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C1)CCC2 1839581283 HRDHODRHFKLYPW-JOCHJYFZSA-N 412.490 0.392 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839651488 HAIDEHWEEIAHOV-HRAATJIYSA-N 418.494 0.783 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839986353 MOJCJBYCAAEPOP-OAQYLSRUSA-N 421.494 0.381 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1840168469 KGQJAEPOPFNMRY-OAQYLSRUSA-N 402.495 0.856 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840170641 RBNGKWJNIUSIEY-FQEVSTJZSA-N 402.451 0.115 30 20 HCED Cc1cc(F)cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840241323 YMHRIRNVHBZAKE-NRFANRHFSA-N 418.421 0.221 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840716964 YYNFOWQIBCAYSW-XFQAVAEZSA-N 401.463 0.764 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1840812101 ZNEICYHEHBEYPO-FQEVSTJZSA-N 422.384 0.052 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1848062849 ZJRZPJDTMWIOEK-KKUMJFAQSA-N 413.540 0.993 30 20 HCED N#Cc1c(CCCNC(=O)Cn2ccc(=O)[nH]c2=O)nn(-c2ccc(F)cc2)c1N 25163159 WFFIRRRITVHVQU-UHFFFAOYSA-N 411.397 0.064 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)cc1 29639883 UIVCJBXIHZDFHR-UHFFFAOYSA-N 402.432 0.995 30 20 HCED N#Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 52716204 YKVWXWANLHNZAP-UHFFFAOYSA-N 404.448 0.635 30 20 HCED COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)N1CCO[C@@H](C#N)C1 409482057 DYVYIXMVIOOOSX-BBRMVZONSA-N 410.427 0.450 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 409562581 MULMNDUXODIDSH-AWEZNQCLSA-N 401.514 0.114 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 410411425 OWJPAUBCNONCDA-CVEARBPZSA-N 410.544 0.758 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2nnn(OCC(=O)NC3(C#N)CCC3)c2c1 438906378 BKBVQDVXDOBFAD-UHFFFAOYSA-N 406.468 0.453 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1cnn(CC)c1 440377052 BXLIFIQZJHJZRX-UHFFFAOYSA-N 409.471 0.822 30 20 HCED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443145862 NSHIKDROXXKGGA-UHFFFAOYSA-N 414.340 0.713 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 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30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 486811061 TYCXDAOTZAABAS-BLVKFPJESA-N 413.459 0.087 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 505389927 SEDQXYWSQIJSNN-UHFFFAOYSA-N 422.551 0.777 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCC[C@H]2C(N)=O)CC1 506094499 HSRFTIBLQWSODP-HNNXBMFYSA-N 412.450 0.795 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1 506756383 LXTKHLIHOCXZMV-ZDUSSCGKSA-N 410.500 0.404 30 20 HCED CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 506759264 SWNNAFPLGFIUEB-AWEZNQCLSA-N 409.512 0.936 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CNS(C)(=O)=O)CC2)n1 506969556 MIWPKNBZBGNYRV-UHFFFAOYSA-N 410.500 0.236 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3C)c(=O)n2C)CC1 507085084 IZYRNOGOQZIUSY-UHFFFAOYSA-N 414.506 0.562 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508951143 LZERUSKBFAFNRV-HZPDHXFCSA-N 411.528 0.599 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 509948794 LUQSGURDVBVCDH-INIZCTEOSA-N 423.539 0.916 30 20 HCED CCc1nc(CN(C(C)=O)[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)nc3)C2)no1 513844458 WJVRIPAXNHZSHJ-CQSZACIVSA-N 404.452 0.710 30 20 HCED CCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CC(=O)N(C)C1=O 513925426 HGIYFRONAZEZQX-HNNXBMFYSA-N 406.464 0.488 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(Cl)c2)c1=O 535160491 DWJDFZWIONRRTM-UHFFFAOYSA-N 409.870 0.988 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1 536966400 LQDOLKXNXQAPAQ-ZDUSSCGKSA-N 401.471 0.085 30 20 HCED C=CCNC(=O)CNC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 537454405 SVRMPQDSGARLGL-UHFFFAOYSA-N 412.487 0.970 30 20 HCED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 539375218 RVIVYAKYQZORMO-QZTJIDSGSA-N 408.499 0.653 30 20 HCED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCc4ccc(C#N)cc43)C2=O)n(C)n1 550519298 XSFYVCMUGCOBDB-MRXNPFEDSA-N 406.446 0.801 30 20 HCED 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CC(C)(C(N)=O)N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265803 RFLDVYGIBMNCPA-KRWDZBQOSA-N 412.494 0.250 30 20 HCED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CCc3ccc(C#N)cc32)cn1 488324284 DBYPOXZJYAZTIR-APWZRJJASA-N 406.446 0.800 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cnc(C#N)nc3)CC2)cc1C 488751970 QDOLZHBNYSMZGP-UHFFFAOYSA-N 415.475 0.877 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 489083170 NONBPQAEPIUVTB-JTQLQIEISA-N 404.370 0.416 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 497461584 IQZAUXZAAPQYOZ-FUHWJXTLSA-N 419.551 0.889 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCN2C(=O)CCC2=O)CC1 506135775 MTCONYPPJCBTIR-UHFFFAOYSA-N 412.406 0.787 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NC(C1CC1)C1CC1 506959541 CTVYMECCUOWCPR-UHFFFAOYSA-N 402.480 1.000 30 20 HCED C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508816709 KIRXRWUUMQLBQB-KRWDZBQOSA-N 418.461 0.464 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCCCC#N 510355022 MXFJHLPISDWBBH-UHFFFAOYSA-N 401.467 0.831 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513671111 GFJIPPWYAKNFGX-ZSEKCTLFSA-N 422.445 0.881 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)C1=O 514494253 UBNNILMCRSBEEP-UHFFFAOYSA-N 422.419 0.247 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)COc2ccc(C#N)cc2)c1 517857615 MXNRESGSEAIPFB-UHFFFAOYSA-N 402.432 0.600 30 20 HCED CC(C)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 519626324 ZEWOWVZXHGZXPE-GOSISDBHSA-N 407.540 0.225 30 20 HCED C[C@@H](C#N)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 531358609 WAXQHDOUJYYFSH-LBPRGKRZSA-N 404.448 0.851 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCCc3[nH]nc(N)c3C#N)CC2)o1 534099055 ZGQXJGFAIFWGLD-UHFFFAOYSA-N 411.470 0.245 30 20 HCED CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 539451698 RVAQYODQGMJONB-HOTGVXAUSA-N 410.565 0.966 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)n1 541142411 OOQGXEHWTXDDAZ-GFCCVEGCSA-N 401.814 0.605 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)n2)c(Cl)c1 543916178 GFUZFYOBKSZCRO-UHFFFAOYSA-N 416.825 0.311 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 544059348 WHTFVROROMSAEJ-UHFFFAOYSA-N 405.436 0.728 30 20 HCED CN1CCN(C)[C@@H](c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)C1 546496467 TWNYWPWPLRPEKG-HZPDHXFCSA-N 409.450 0.917 30 20 HCED C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549292810 ZBVDXVAVXHZBRS-MRXNPFEDSA-N 410.478 0.601 30 20 HCED CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 554152526 ZAYMDOKJBKZBDT-OAHLLOKOSA-N 413.457 0.960 30 20 HCED CN1C[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CCC1=O 554392517 PXEIWPLSMAKKGS-AWEZNQCLSA-N 403.870 0.597 30 20 HCED COC(=O)CC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 557136661 MFNWGSCJSFKXEE-CQSZACIVSA-N 423.491 0.701 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)n1 567285607 BRZCVNKCXLIXQT-UHFFFAOYSA-N 423.477 0.648 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 573406458 GYONZNVUOJCDSF-KRWDZBQOSA-N 408.462 0.942 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)C1=O 578086671 JVSQXFLJWASRCZ-CZUORRHYSA-N 401.463 0.880 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 578091612 DBFCWYBPRZBLGP-OAHLLOKOSA-N 406.508 0.142 30 20 HCED COCCN1CCCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1=O 579148003 AUVLHSLNWPHRIR-UHFFFAOYSA-N 423.267 0.967 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC[C@H]3CCCCO3)CC2)c1C#N 588823612 PGZKAIOXBJAQEZ-MRXNPFEDSA-N 402.499 0.714 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccc(OC)nc1 608884704 SHFRPRTZOORZJM-UHFFFAOYSA-N 412.496 0.922 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)nc1 609199761 JHOPHLXDYWXTBD-KRWDZBQOSA-N 413.526 0.809 30 20 HCED N#C[C@H]1CN(C(=O)c2cc(I)ccc2-n2cnnn2)CCO1 609268457 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Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)nc12 750725111 QRCJESQOQPSCTD-LLVKDONJSA-N 406.406 0.280 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCOC)c2=O)o1 760379303 VWEQHOLXNNQLBP-UHFFFAOYSA-N 417.487 0.073 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(=O)N(C)C 763461208 UZRODQZGAMJJSZ-UHFFFAOYSA-N 400.504 0.455 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNC(=O)c1cccnc1 766369269 MOGXXKRQVSRKKR-ZDUSSCGKSA-N 402.432 0.593 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 772297599 BYFAKTJRCRPZCL-UHFFFAOYSA-N 403.423 0.994 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)[C@@H]1CCCO1 773798522 UIQWWJFNENHCDW-CVEARBPZSA-N 415.446 0.588 30 20 HCED C[C@@H](CC(=O)OCCCS(=O)(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 774521841 FOECAWVJECZIGL-LBPRGKRZSA-N 417.509 0.328 30 20 HCED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[C@H](C#N)C(=O)c1nccn1C 777332595 CWGGZCRURPNXEU-JSGCOSHPSA-N 405.455 0.977 30 20 HCED CCNC(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 782343836 UAMGXJAYTKDJQR-UHFFFAOYSA-N 415.406 0.524 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 783298818 WUDKSQLONGJJLR-CYBMUJFWSA-N 410.456 0.154 30 20 HCED CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784379875 UGEXXIFBVNTPTC-QNGOZBTKSA-N 423.495 0.032 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 787601624 FAARWVHEDMASFE-WDEREUQCSA-N 408.386 0.239 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCC1(N2CCCC2)CCOCC1 787774936 MIFRXIFETZKHLM-UHFFFAOYSA-N 400.483 0.243 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)cc1C 788327016 AAWCOUKSEDMXQC-MSUUIHNZSA-N 414.418 0.671 30 20 HCED CNC(=O)NCCC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 797269324 WIAOXXHHYLQOKC-UHFFFAOYSA-N 407.221 0.584 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1=O 799267818 XMYFTDQPWYBBCN-GFCCVEGCSA-N 415.418 0.867 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1)c1ccncc1 805805663 DCIWWFCMJBBHBQ-SFHVURJKSA-N 401.511 0.828 30 20 HCED CC(C)(C)[S@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 806190672 GWZWJDFMZDMLMR-GUNSETOZSA-N 418.519 0.833 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)n1 809527431 SMUQMWQKRMQDIX-ZACQAIPSSA-N 422.576 0.987 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 810780845 UDQCSDOZPLJJDQ-CYBMUJFWSA-N 401.510 0.529 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812304702 NQEKMTRXCWRLFH-JKSUJKDBSA-N 404.496 0.484 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CCNC(=O)OCC(F)(F)F 816128790 XAAJIFRXNOQHJZ-UHFFFAOYSA-N 424.313 0.950 30 20 HCED C=CCN(CC=C)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914665102 JJPNUKSFJWEJIE-UHFFFAOYSA-N 421.475 0.165 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)NCCCC)CC2)c1=O 915206378 UXAVODVPOIHPDX-UHFFFAOYSA-N 405.499 0.130 30 20 HCED CCNC(=O)COc1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 915777091 AALPHUOBCWTWMH-UHFFFAOYSA-N 410.434 0.635 30 20 HCED Cc1n[nH]cc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918267816 ZUVIABDAJATSCJ-KQWNVCNZSA-N 418.479 0.786 30 20 HCED CN(C)C(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1298003653 LICXJNYPVRXQJN-ZDUSSCGKSA-N 422.449 0.009 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C1CC1)N(C)C 1303405467 VHDWYIZFALRXEL-MSOLQXFVSA-N 414.558 0.933 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1321408407 MLEYKFPAAVPYHV-OAHLLOKOSA-N 410.500 0.322 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCN(C)CC2)CC1 1471235403 PXJZVOZCKSERPU-MRXNPFEDSA-N 419.551 0.463 30 20 HCED C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1510058399 KKBSHEFSTVBUEL-IJEWVQPXSA-N 408.528 0.392 30 20 HCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1517482296 VJVPIOZIFIKQNT-LJQANCHMSA-N 406.454 0.351 30 20 HCED C[C@H]1CN(C(=O)c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)C[C@H](C)O1 1583149782 RFLCETIJNYKHSI-STQMWFEESA-N 411.418 0.709 30 20 HCED CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1618271638 UKFSELNYUDIUMX-ZIAGYGMSSA-N 419.486 0.825 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCc2nnc3c(=O)[nH]ccn23)c1 1666204088 KPACTYWRFLGBBK-UHFFFAOYSA-N 409.225 0.530 30 20 HCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1708152680 QRVSWXBSVDKAAS-AWEZNQCLSA-N 411.466 0.484 30 20 HCED COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cn1 1712466484 NHLPFHBCLBSUCQ-HOCLYGCPSA-N 421.527 0.667 30 20 HCED CNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729723228 ZAVSAOWKVNSTFX-INIZCTEOSA-N 410.482 0.511 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1779271751 SCUCCPVSJMKVLV-VDVULAQNSA-N 420.554 0.862 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1779884618 UGICNZCRHQUSFG-QFIPXVFZSA-N 422.441 0.958 30 20 HCED CSc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1O 1780154017 GHNYZEFAARQDRP-IBGZPJMESA-N 404.444 0.646 30 20 HCED 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C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1840160111 XHHQCNOEDWBIMB-FZKQIMNGSA-N 405.480 0.118 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840216852 SGKCMMXMYYBQPM-UKKLRFBMSA-N 420.510 0.609 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCS(C)(=O)=O)CCO2 1840551190 PAZIMKJBABKGDS-LJQANCHMSA-N 414.524 0.071 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840813303 RPXGRAQBUYAOAE-FQEVSTJZSA-N 401.467 0.492 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1845253322 CUHTZBLGDSBQBM-CQSZACIVSA-N 416.482 0.635 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845996196 QNUFTKVEJXVQLM-HUUCEWRRSA-N 420.510 0.795 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)CO[C@@H]2CCCc3ccccc32)c1=O 42185376 YTZVDUIJZHUNPO-PKOBYXMFSA-N 413.474 0.999 30 20 HCED N#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C1CC1 63516171 ODKHCUWJCLJPSW-UHFFFAOYSA-N 402.520 0.996 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 65930635 FYESEEIRPYUCQB-UHFFFAOYSA-N 420.473 0.708 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 409593965 ZAABNDYAZDXASE-CQSZACIVSA-N 413.931 0.914 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 410122617 WIPIVPJGJIAZOS-KRWDZBQOSA-N 407.492 0.566 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 410140975 DBSWNAWTUSOMLI-SJLPKXTDSA-N 405.524 0.746 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(CC(=O)NCCO)cc2)cc1 426901386 RVQXEASVYZJHCV-UHFFFAOYSA-N 415.471 0.763 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 430396263 SQVKQVHJZFUJPX-KMFMINBZSA-N 409.508 0.951 30 20 HCED COCCCS(=O)(=O)N1CCN(CCC(=O)Nc2sccc2C#N)CC1 431179377 LUVNVJWBAKVPSP-UHFFFAOYSA-N 400.526 0.932 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCCN3CCCO[C@H](C)C3)CC2)c1C#N 433469458 KXYKVBMCPRDNTQ-MRXNPFEDSA-N 403.531 0.933 30 20 HCED COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)nn1 433878398 QFHONMFMKCDWET-UHFFFAOYSA-N 414.241 0.564 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 439210507 BKRKBBRFZNYCAW-HUUCEWRRSA-N 407.434 0.656 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCC(NS(=O)(=O)NC)CC2)c(OC)c1 463192873 MMUIFXXCCDZHOQ-KRWDZBQOSA-N 413.540 0.682 30 20 HCED C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 465467608 APYDNPFRSTWUQR-UGUYLWEFSA-N 410.478 0.949 30 20 HCED C[C@@H](C(=O)NC(C)(C)CN(C(=O)[C@@H](C)n1cnc(C#N)n1)C1CC1)n1cnc(C#N)n1 466328180 IXCZVGPQPBHAEU-QWHCGFSZSA-N 424.469 0.321 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)c1C#N 471681795 AIUKCMUREGUIAI-UHFFFAOYSA-N 419.283 0.873 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)cn1 473440935 KRVCCPCVELLMRC-HZPDHXFCSA-N 400.416 0.658 30 20 HCED N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 473569437 LYTNYSYNSACSIS-KRWDZBQOSA-N 410.927 0.779 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3cnn(C)c3C#N)c2)CC1 475592195 STZZPXWJQIJNCV-UHFFFAOYSA-N 402.480 0.870 30 20 HCED CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 489588125 GBMAVIPUYIPTGZ-WBVHZDCISA-N 420.539 0.980 30 20 HCED COC(=O)[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C(=O)OC)C1 503885572 ONUXKASQZMFQRH-GXFFZTMASA-N 402.375 0.952 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ncc(S(N)(=O)=O)s3)CC2)cc1 506811281 IMUBIALGMCPJQP-UHFFFAOYSA-N 413.506 0.173 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 507464817 OJGCGCXWEDBFED-UHFFFAOYSA-N 420.495 0.331 30 20 HCED Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508425392 YPQZXWVUXYYGDT-UHFFFAOYSA-N 413.463 0.994 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 508976905 JRGWXJNIPNVGSG-UHFFFAOYSA-N 405.842 0.661 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](CC)S(=O)(=O)[C@H](C)C2)cc1 509772031 OGTJOZDLWDQCDL-CJNGLKHVSA-N 407.492 0.965 30 20 HCED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 509959986 SBDJDDITXSCYTG-CQSZACIVSA-N 424.527 0.440 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 511313015 IWKYGBAFZTXSCC-UHFFFAOYSA-N 408.418 0.105 30 20 HCED CCn1cc(C#N)c(=O)n(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)c1=O 514434511 OSBIGHFTADAETF-UHFFFAOYSA-N 401.404 0.343 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 515338463 INAKESNRVNLQBI-GOSISDBHSA-N 420.516 0.905 30 20 HCED CCOC(=O)C(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)OCC 518173166 WQXOZLLWUKDYFL-UHFFFAOYSA-N 411.436 0.022 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(S(=O)(=O)CCCC#N)CC2)c1 518453589 KSQUGSRETRKHMA-UHFFFAOYSA-N 421.522 0.475 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)s2)c1=O 532417475 LOBUHYYWGKYEDN-UHFFFAOYSA-N 407.517 0.656 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)n1 536970914 KQXBKBODRZFNDB-UHFFFAOYSA-N 415.454 0.645 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)s1 538102525 LQOCUQYENMIJFK-UHFFFAOYSA-N 424.508 0.739 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 540262136 FLTSAQSKQCEJOQ-UHFFFAOYSA-N 415.498 0.215 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543961535 WNGUJKJKLYPWAG-LLVKDONJSA-N 407.427 0.713 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 544119630 BANVQDGUULGGSS-LBPRGKRZSA-N 418.449 0.745 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1C(F)(F)F 548256571 OQGTWYWFBCDWMA-LLVKDONJSA-N 412.367 0.449 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(N(C)C)CCCCCC1 555739337 JAGLMNMNMNAMCX-UHFFFAOYSA-N 403.531 1.025 30 20 HCED CC#CCN(C)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 555752812 LVMXLXQEQQXXTL-UHFFFAOYSA-N 413.478 0.514 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 563627526 AONABNBYLUQRHQ-CYBMUJFWSA-N 418.397 0.506 30 20 HCED COC(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 568335037 PAODVNBPVJDUSN-UHFFFAOYSA-N 417.443 0.705 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2=O)cc1 571309667 LVLDOPDXECWKFU-INDMIFKZSA-N 422.485 0.849 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)nn1 573310635 LIQVIEZVGKHMJF-UHFFFAOYSA-N 412.425 1.562 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)C1=O 575909430 FHBVLXVJLJZCSQ-CQSZACIVSA-N 410.448 0.667 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)c1 582366874 UHMKNEVZPQSQIS-UHFFFAOYSA-N 412.490 0.909 30 20 HCED CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)N(CCC#N)CCOC)C2 582494568 OUIRREUQJRLADA-UHFFFAOYSA-N 416.525 0.060 30 20 HCED COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N1CCN(CC#N)CC1 583053819 WPCIGJUSDCFJFI-UHFFFAOYSA-N 416.297 0.994 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC2CCN(C3CC3)CC2)CC1 585698272 AOVZVOCDEMRLFW-UHFFFAOYSA-N 412.494 0.815 30 20 HCED COC1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCOCC1 588646975 HCZDHCBLRWQPCV-UHFFFAOYSA-N 404.442 0.658 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 609038301 MAPMBJBWNLOWAT-UHFFFAOYSA-N 422.514 0.309 30 20 HCED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 728105206 AEMPCBGLDGPVHU-SFHVURJKSA-N 422.463 0.982 30 20 HCED CNC(=O)CCOc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732434128 WSIYRGOFQFZCPG-ZCXUNETKSA-N 401.423 0.849 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sc(C)nc2C)c1=O 736588185 SYLQMGLAXBEWJH-UHFFFAOYSA-N 418.544 0.755 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(Br)cn1 742295067 QZOYUFHJSFSQBD-SEYXRHQNSA-N 401.242 0.649 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cccn2)c1 743893711 ABGFJCVLCUWFQU-JWGURIENSA-N 418.479 0.451 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1 745145957 PFAVCFJSYULHHK-UHFFFAOYSA-N 415.474 0.747 30 20 HCED C[C@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442613 LFLONFQAWIFRCK-UVQHHTHUSA-N 403.435 0.423 30 20 HCED N#C[C@@H]1COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 748342705 PVAWBTFJUWSLOV-ZIAGYGMSSA-N 405.432 0.375 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNC(=O)Nc2nn(C)cc2C#N)CC1 750612617 HQKAVUUHLIPNJV-UHFFFAOYSA-N 405.459 0.931 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 751368541 GXBDVOOOJLKWIL-KBPBESRZSA-N 403.460 0.024 30 20 HCED COC(=O)[C@@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)c1cccc(C#N)c1 751649590 MJACYLPMLWCYHA-HNNXBMFYSA-N 410.386 0.518 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 756877552 VBPBDNIYIYKFTO-OAHLLOKOSA-N 419.445 0.807 30 20 HCED CCS(=O)(=O)CCN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 760057417 XSSVFOXCFSIJPG-UHFFFAOYSA-N 401.510 0.398 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 761153423 AYGKTKXQFQUYMD-CQSZACIVSA-N 418.425 0.764 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)c1C 761984964 VUHTUAVLRCWEOR-INIZCTEOSA-N 408.418 0.962 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 766991510 XYMWENVGUIAVEE-UHFFFAOYSA-N 423.472 0.936 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3CCSCC3)no2)c1 771387841 HHVJNPCNIGOINS-UHFFFAOYSA-N 406.489 0.766 30 20 HCED C[C@@H](CC(=O)NCc1nc(C(F)(F)F)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 775910637 VHAICLIKRLHBGI-QMMMGPOBSA-N 416.385 0.957 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccc1F 782897994 VFVPUYQXOWVTJL-UHFFFAOYSA-N 402.386 0.819 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1 783060476 HJFDJLZZCSPEAG-UHFFFAOYSA-N 405.498 0.334 30 20 HCED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)OCC(=O)NC1(C#N)CCC1 784231259 YQRULSMDKCQNQT-UHFFFAOYSA-N 402.451 0.709 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3c[nH]c(C#N)c3)C2=O)cc1 786904227 DPRPKGBECDMABA-LJQANCHMSA-N 411.374 0.550 30 20 HCED C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787680950 IKAOMXHXTJSWQO-RCBQFDQVSA-N 403.410 0.895 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 796154911 URHKXRHQLCNCRL-UHFFFAOYSA-N 421.406 0.980 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 796570360 QJXUHZDCLTVLKD-UHFFFAOYSA-N 407.492 0.617 30 20 HCED CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCCn3cnc(C#N)n3)nn2)CC1 803549935 JJEDJKYDRKMSGG-UHFFFAOYSA-N 415.458 0.743 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)CC1 805057038 AOYHKXPEANZTMK-RBUKOAKNSA-N 400.479 0.442 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 805392041 OZWVYBDWNOWMPY-CABCVRRESA-N 422.459 0.524 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Cl)cc2c1OCC(=O)N2 806967064 DFHGORZTXONAII-UHFFFAOYSA-N 401.828 0.326 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c1 808137099 NWSLPCOUAIVMQX-GOSISDBHSA-N 418.519 0.023 30 20 HCED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3snc(C)c3C#N)CC2)C1=O 811785686 GJWKCHLPDCRKFP-GOSISDBHSA-N 420.495 0.666 30 20 HCED NS(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 913188034 VUHRFHJMXFZBLM-UHFFFAOYSA-N 422.488 0.079 30 20 HCED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916890054 YNRKOZSTCISBCW-OAHLLOKOSA-N 417.443 0.939 30 20 HCED CCCCS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 917648129 SAWMBCMTSDPUHN-UHFFFAOYSA-N 413.521 0.606 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnc(C)s2)c1=O 917762884 MPFWTMNOZDQVLA-UHFFFAOYSA-N 418.544 0.907 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2C(=O)CNC2=O)c1 1115886405 BBTBBTADCKAQHE-QNGOZBTKSA-N 421.479 0.770 30 20 HCED CS(=O)(=O)N1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 1116324045 JETCOHOLUOZZFV-CQSZACIVSA-N 403.464 0.479 30 20 HCED N#C[C@@H]1C(CN2CCC[C@H](CNS(N)(=O)=O)C2)=CC(=O)n2c1nc1ccccc12 1253337854 GNDBRRATNNHHQN-UKRRQHHQSA-N 414.491 0.729 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1286966514 UHWQRILTHYNZIY-ZIAGYGMSSA-N 404.500 0.755 30 20 HCED CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1288742532 PDPKGEQJKVMJIP-JSGCOSHPSA-N 409.464 0.342 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1Cc1ccon1 1319196775 RTLZEUKXHWHROU-UHFFFAOYSA-N 406.467 0.684 30 20 HCED 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C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC=O 1847939747 FJXLSIIGDTYDIT-WCVJEAGWSA-N 408.499 0.792 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CC)C1=O 50511653 CZTATZVVQCDHDG-UHFFFAOYSA-N 402.411 0.183 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)CCO1 409593762 JFSDNAQAQUCQFA-QGZVFWFLSA-N 401.448 0.893 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CSCC(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 410121017 RPQSAKNJCXSNSE-HOTGVXAUSA-N 422.551 0.210 30 20 HCED C=C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 426854665 UVUWOUBROLXMCU-INIZCTEOSA-N 423.535 0.975 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C)S(=O)(=O)CC2)cc1 429868516 PLCZGZVCMBRSIE-ZDUSSCGKSA-N 408.480 0.968 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 430371797 AADPZXXTKRBDFY-PXNSSMCTSA-N 420.554 0.677 30 20 HCED CNC(=O)CN1CCC(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432869523 XMYMYDXUQZBCDZ-UHFFFAOYSA-N 415.313 0.809 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)S(N)(=O)=O 437338089 OARGOZCJVDCSMS-CYBMUJFWSA-N 416.459 0.869 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 440379307 HPKTVNWGUVTESH-UHFFFAOYSA-N 412.496 0.639 30 20 HCED COCCOC1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 441514805 TWUFXYYKMNSMPT-UHFFFAOYSA-N 403.826 1.210 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3cccc(C#N)c3)C2)cc1 441599581 OVMAXDBIZYIIMZ-UHFFFAOYSA-N 414.443 0.695 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443152086 JACJABYAPJTEPS-UHFFFAOYSA-N 408.358 0.451 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](OCCN2CCCC2)C1 443815808 XJYYNOMCPRBSIW-FUHWJXTLSA-N 420.535 0.938 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 444919192 HZSCIUDRWATJLT-HNNXBMFYSA-N 413.438 0.964 30 20 HCED C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 445340013 HIOPRUDZCMNUEF-UHFFFAOYSA-N 406.464 0.911 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 446803019 SUABCVXIAFUXQJ-CABCVRRESA-N 424.465 0.257 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC)cn2)c1 462365606 MKCHJYQZJRLVKA-UHFFFAOYSA-N 410.477 0.706 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1F 465418306 SWPFOJITYNLZGB-LLVKDONJSA-N 411.397 0.262 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)ccc1OCC(F)(F)F 471008199 AUODZPCZRKHIRO-WCQYABFASA-N 414.340 0.587 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(C)C 476231177 KWFUJMRDCKSJPL-UHFFFAOYSA-N 415.515 0.840 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 482436274 JGPPIWKMNOUMST-LBPRGKRZSA-N 420.520 0.734 30 20 HCED N#Cc1c(CCCNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 488697575 PGXZCKLVDVWLMY-CVEARBPZSA-N 400.414 0.547 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 488854261 JYEKAKYFCVFOEM-HNNXBMFYSA-N 413.521 0.918 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(C)n(CCC#N)n2)c1 504235171 IJYZMZIMBCEJNY-UHFFFAOYSA-N 420.495 0.936 30 20 HCED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 507488093 SZUBDUOPENSVIC-UHFFFAOYSA-N 406.497 1.000 30 20 HCED C[C@@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(N)(=O)=O 507715095 DEOQWKFQYZWWJW-NSHDSACASA-N 407.452 0.816 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cnc2n(C)c1=O 510162585 IHPQPIJEOREBIV-KRWDZBQOSA-N 418.457 0.482 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)nc1 511660095 ZNKRABKTZLSZEV-UHFFFAOYSA-N 408.462 0.256 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513982555 FLHBQYNJLZNYLN-DJJJIMSYSA-N 417.491 0.465 30 20 HCED N#CCCn1cc(CN2CCN(C(=O)Cn3cnnn3)CC2)c(-c2ccncc2)n1 516215364 RRDQAGCCCDPFFE-UHFFFAOYSA-N 406.454 0.190 30 20 HCED CNC(=O)Cn1nc(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1C 519725164 OFFMTKHUSXHBOR-UHFFFAOYSA-N 402.484 0.928 30 20 HCED N#CCCn1ccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 522780751 YERMJAVXFHVLMR-UHFFFAOYSA-N 405.436 0.875 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(OC)nc1 524235188 QOMJSEGOPXSSGC-UHFFFAOYSA-N 410.430 0.691 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 524281024 BMOHXFROPFGSGN-UHFFFAOYSA-N 418.906 0.468 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1CCOCC 532194583 XZBNRZAHTDVRTL-UHFFFAOYSA-N 419.503 0.715 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 552662161 DZYORBKTUGERIJ-UHFFFAOYSA-N 414.554 0.606 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 561373416 CUAONYIQPWNNBG-GUYCJALGSA-N 418.519 0.988 30 20 HCED COc1ccc([C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)N2CCOCC2)cc1 562771720 IQZBFDKIIUMCNK-LJQANCHMSA-N 400.479 0.947 30 20 HCED CCO[C@@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1(C)C 577310357 PSWINIJQMFDMFE-FOIQADDNSA-N 412.450 0.760 30 20 HCED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 577981161 FHIYSOQJGWNOFY-RCCFBDPRSA-N 414.510 0.740 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4F)n3)C2)nc1 590272782 GPMCWBOOBSAWJW-CQSZACIVSA-N 421.392 1.291 30 20 HCED Cc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1S(=O)(=O)NCC#N 608868453 VNLFQQJGSJTFQR-UHFFFAOYSA-N 422.488 0.838 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CC[C@@](F)(C#N)C2)c(O)nc1=O 615636065 QIODTERNNKXBPU-ORAYPTAESA-N 424.477 0.637 30 20 HCED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 670208435 QACDYPATHAWDEL-HNNXBMFYSA-N 406.487 0.115 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)C1=O 726042578 KIFWRKSAECJXMO-NSHDSACASA-N 416.390 0.492 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)NC2CC2)C1=O 726401358 OTEMVRZTYBWTDZ-CYBMUJFWSA-N 403.464 0.132 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 726545100 KARHCKVIXOMGLC-CYBMUJFWSA-N 410.521 0.495 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731861668 JFOUMJSIPCWJJQ-VLGSPTGOSA-N 404.448 0.407 30 20 HCED COC[C@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 747450633 BEMMJOPJNFGGEL-LJQANCHMSA-N 406.508 0.707 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 748222955 PHSQGVNZKWFNJE-UHFFFAOYSA-N 420.422 0.715 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2NCC)CC1 749990744 RUOIPSICLROLCM-UHFFFAOYSA-N 407.540 0.558 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3ccccc3OC)CC2)CC1 750220224 WASVWFQTFURYTH-UHFFFAOYSA-N 413.522 0.029 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 752120535 NCNZPDDFDPLCRB-FKIZINRSSA-N 416.409 0.613 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccccn3)c2=O)c[nH]1 753356698 GEWKZPGIPWFISZ-UHFFFAOYSA-N 405.439 0.689 30 20 HCED C[C@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 755118492 ULDARVGOJCWQHU-IBGZPJMESA-N 421.475 0.361 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2occc2Br)c1=O 758052528 RCUGYOIFWBTPTD-UHFFFAOYSA-N 418.272 0.704 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 758575665 RWYGVQLOMDHWMX-BFHYXJOUSA-N 419.486 0.798 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(SC(F)F)nc2)CC1 771224199 UUSXSKMYEOLVRI-UHFFFAOYSA-N 413.450 0.781 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 771892751 USERLZBYHCHBHE-UHFFFAOYSA-N 406.342 0.295 30 20 HCED C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@@H]1CCCO1 775329664 REPASTQYESACPG-XIRDDKMYSA-N 418.471 0.921 30 20 HCED CN1C(=O)CN(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 776247638 YGKDMVGEDBKLAZ-UHFFFAOYSA-N 407.452 0.211 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 782905331 HZQJXSJOLGSDTC-AEFFLSMTSA-N 420.487 0.832 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCOC2=O)cc1 783069829 JDEXGMMILXXMDQ-UHFFFAOYSA-N 414.443 0.998 30 20 HCED CN(C[C@@H](O)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785082736 GZWQFKOSLZTJEJ-WFOVFMPGSA-N 422.507 0.667 30 20 HCED C#Cc1cccc(NC(=O)CN(C)c2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)c1 785834199 CYTUZAPCVJUDRM-UHFFFAOYSA-N 421.500 0.794 30 20 HCED COc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCS2 786037451 RPSPFEKIILZWHY-UHFFFAOYSA-N 410.477 0.271 30 20 HCED Cn1c(=O)c2ccc(C(=O)O[C@@H]3CCCN(c4cc(C#N)ccn4)C3)nc2n(C)c1=O 791978133 PDIYHJTXZBBPKL-CQSZACIVSA-N 420.429 0.725 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)c1C#N 793446274 DTUYAABUHXLULA-CVEARBPZSA-N 412.475 0.943 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)ccc1F 794162510 SSENTEZAVUOFPR-RYUDHWBXSA-N 404.485 0.938 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C)o2)c1=O 794581129 FGEPSGPLMMZNPU-AWEZNQCLSA-N 402.472 0.956 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC 799286895 LNVAOJDRXJRFRU-QGZVFWFLSA-N 402.495 0.666 30 20 HCED C#CCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 806912389 XRNFRHAFICQWPB-OAHLLOKOSA-N 408.499 0.396 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 807350675 TUHGEDZUTNNPRS-RHSMWYFYSA-N 407.492 0.861 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)C1=O 808041046 LYLPCFKZACBUKO-OAGGEKHMSA-N 408.499 0.605 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 808470754 HXVZWVBJDLUPRE-MGBSGCIJSA-N 410.405 0.237 30 20 HCED CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810360229 IAFHGVXJUBINJU-AWEZNQCLSA-N 408.480 0.962 30 20 HCED COc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810363724 BFBOSZSTNHXCNB-QGZVFWFLSA-N 406.402 0.936 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 888601214 QYVZMYJCEXSYBM-GFCCVEGCSA-N 411.436 0.111 30 20 HCED CCN(CC)C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 920764373 ZBQCHFBCNGVYQB-UHFFFAOYSA-N 407.496 0.443 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 921163166 AZFOWKQULKMFSQ-UHFFFAOYSA-N 417.443 0.916 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN([C@@H]4CCOC4)CC3)C2=O)cc1 1118829612 KYRMIDKRUIBQFP-QZTJIDSGSA-N 411.462 0.696 30 20 HCED 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N#CCCN(C(=O)CCC(=O)N1CCCC[C@H]1CNS(N)(=O)=O)c1ccccc1 1640669407 WBVNVKMFLMZDHZ-KRWDZBQOSA-N 421.523 0.888 30 20 HCED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N)OC 1744150197 NTKQXHKEDWXIIM-RBSFLKMASA-N 414.532 0.774 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777933239 KLPKCMJEZRGAKL-IIBYNOLFSA-N 413.478 0.746 30 20 HCED CC(=O)Nc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1778256136 FOMNYURXKCHXBV-NRFANRHFSA-N 413.430 0.105 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1778846311 ZWGXFJZZAIZRDN-NRFANRHFSA-N 423.477 0.264 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1778968586 STWSTLMYGGIJFB-ZLIFDBKOSA-N 408.417 0.703 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014184 AJSNZLGOWZUXHJ-BCVDLATCSA-N 402.499 0.644 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1779101459 PRGQHIPIMWCKCY-NQMNLBCASA-N 403.439 0.449 30 20 HCED 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30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785672643 QJJLWGMWIRGQHQ-HEHNLYSKSA-N 422.526 0.831 30 20 HCED CS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1786648521 DVWAOLSNWHPRQF-ULQDDVLXSA-N 405.476 0.196 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1787393274 DDUFRJTZRWZWAW-VGWMRTNUSA-N 424.498 0.155 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)C[C@@H]21 1788525900 YDVGCIFJYSHJHX-RVDAZCDBSA-N 421.538 0.385 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1788575384 HHLBFXSCBFSMPX-CBVHJVASSA-N 416.522 0.996 30 20 HCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4ccnn4)C[C@@H]32)c1 1790224424 GGPYYHGGUIAFFQ-ZVZYQTTQSA-N 412.425 0.582 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3cc(Cl)ccn3)C[C@@H]21 1791076739 HEAGIXORSKJTGH-QEJZJMRPSA-N 421.837 0.182 30 20 HCED 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YXCSXPJTDDMQEJ-NRFANRHFSA-N 424.542 0.540 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1837398476 BKCJETIJDXPFSD-IIBYNOLFSA-N 420.510 0.670 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(F)nc4)C3)C2)c1 1838737950 HECITTNFFOYEOK-FQEVSTJZSA-N 413.409 0.804 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838835519 LXGYRMRIPNWRLZ-FOIQADDNSA-N 406.483 0.711 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1839006632 LGOBDZIZTAHBBA-IBGZPJMESA-N 408.357 0.123 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212694 JQBNHXOUGMRSME-URLQWDBASA-N 413.540 0.018 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1839807472 BYCUZSMGPHHPJB-GOSISDBHSA-N 403.826 0.315 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3C)OCCO4)C2)C1 1839807946 QBZPZRINTYPXDU-OAQYLSRUSA-N 400.431 0.469 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1839845346 MSGVTCAUKJKHDS-KSSFIOAISA-N 409.512 0.565 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1840046854 LOSFFLCGXUJTMO-IIBYNOLFSA-N 421.494 0.476 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840450084 RUYHFKGHPPUUIK-IERDGZPVSA-N 416.478 0.855 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1840459367 FDQKARJJPTZOAO-SIKLNZKXSA-N 417.506 0.763 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1840842595 PSAAMBCMSKUXGY-FQEVSTJZSA-N 403.435 0.721 30 20 HCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)cc1 1841005873 PBZRVFKQMHWUBA-UHFFFAOYSA-N 420.406 0.419 30 20 HCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)CNC(=N)N)C2)N(C(=O)OC(C)(C)C)C1 1842884810 VCYLOEPMEZWBDA-AWEZNQCLSA-N 420.514 0.238 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1ccc(CC#N)cc1)C2 1844159057 HUPKFANOKYXZKV-MRXNPFEDSA-N 400.435 0.634 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c1 1846825851 IAILVZAJOYYLRX-AWEZNQCLSA-N 409.446 0.682 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)c3cccnc3C#N)CC2)n1 428425179 UDTKLNJLVGGWFC-CYBMUJFWSA-N 406.468 0.940 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N1CCc2ccc(C#N)cc21 433650171 QNKIEKVHJCZOGD-SRABZTEZSA-N 411.414 0.399 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 438764941 QJHNTPZTWGHDNW-UHFFFAOYSA-N 421.523 0.641 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 443261421 KJOIEVASPKLKEN-MHZLTWQESA-N 405.867 1.363 30 20 HCED Cn1c(=O)c2cc(NS(=O)(=O)c3cccc(Cl)c3C#N)cnc2n(C)c1=O 443373339 WISRZWDTLIWAPV-UHFFFAOYSA-N 405.823 0.958 30 20 HCED CCCc1c(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cnn1-c1cccc(C#N)c1 443749243 NWWDKROCZUPUSD-UHFFFAOYSA-N 423.433 0.303 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)cc2)cn1 460578509 SGFZDCJAODRNGL-MRXNPFEDSA-N 424.392 0.773 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 465427591 YMHWMWUGXCPKBN-AWEZNQCLSA-N 417.433 0.605 30 20 HCED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2c(F)cc(C#N)cc2F)cn1 466280765 MZJSRFOUNARHKD-UHFFFAOYSA-N 412.422 0.512 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C 470507565 NBGWWOSVRRFVGA-HZPDHXFCSA-N 420.535 0.937 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)Cc3ccc(C#N)cc3F)cn2)CC1 481035905 LWZZUCGXRRRHPU-UHFFFAOYSA-N 420.470 0.610 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 481254226 JTAPDVNBTDEMAN-WBMJQRKESA-N 422.532 0.747 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CC(C)C)c1=O 488994777 GKXDHICAZGCBIC-AWEZNQCLSA-N 400.504 0.891 30 20 HCED CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 498456829 CGVOTDKUQBIGKT-OAHLLOKOSA-N 408.480 0.700 30 20 HCED C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1CO 498989391 FRGORIYUQOJDBD-AEFFLSMTSA-N 420.535 0.484 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2scc(C)c2C(=O)OC)CC1 499003090 RDSZLJWDLFJUDG-UHFFFAOYSA-N 408.480 0.228 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC 501254599 BGGPEZAJAFWHGV-UHFFFAOYSA-N 413.499 0.760 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H](C#N)c2ccccc2Cl)n(C)c1=O 505642604 ZOYHNSVBQZLUSQ-ZDUSSCGKSA-N 400.826 0.858 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)Nc1cc(C)nn1C 506908933 NLZOZAJAVHBXMC-UHFFFAOYSA-N 401.452 0.980 30 20 HCED COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 508068776 ORCUQYBJTGJPDU-INIZCTEOSA-N 417.509 0.305 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(-c2ccccc2C(F)(F)F)n1 508963042 XMNPDMKHWYWBRG-UHFFFAOYSA-N 408.340 0.894 30 20 HCED C=CCN1CCC(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 519270630 ZAENRKADDQBAEJ-UHFFFAOYSA-N 410.540 0.645 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1C#N 525892596 FEFQTCVIBKIKQI-CABCVRRESA-N 400.483 0.813 30 20 HCED N#CCc1ccnc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 531653009 ODOHKAPQPULANA-UHFFFAOYSA-N 422.488 0.969 30 20 HCED COC(=O)CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H]1CCCO1 532976355 HFYLSOGKDPZPNO-INIZCTEOSA-N 419.482 0.547 30 20 HCED CCOC(=O)C=c1sc(=Cc2ccccc2C#N)c(=O)n1CC(=O)N(CC)CC 534413733 KTQBBOWYQIFBOI-UHFFFAOYSA-N 413.499 0.822 30 20 HCED C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542998641 RZPSKNFDKPBVSO-WCQYABFASA-N 403.826 0.944 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCC(N(C)C)CC1 544159134 GNPNAWUOIMKNDO-UHFFFAOYSA-N 417.510 0.664 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 566390151 DAKUWWSOPAVJDP-KBPBESRZSA-N 422.507 0.731 30 20 HCED C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 572516985 VKKUYHINZKHJKF-CRAIPNDOSA-N 413.478 0.007 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(C)CC1 586850970 DZNHWSQQCWSWCG-KXBFYZLASA-N 411.506 0.622 30 20 HCED CN(C)CCCOc1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 588025068 NKLBLHBCBBHWFQ-UHFFFAOYSA-N 401.511 0.737 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)NCC(=O)NCC#N)sc2c1CC[C@H](C)C2 588720713 RRCJXAQXMQWSPL-JTQLQIEISA-N 406.464 0.744 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608891254 REXSKFDSJJEMHU-UHFFFAOYSA-N 414.462 0.548 30 20 HCED COCCN(C(=O)CN1CCC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 612154698 BRKBXPGCGVZMBC-FQEVSTJZSA-N 420.514 0.792 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 615256544 PUQTVEBFQVWPAF-UHFFFAOYSA-N 424.479 0.035 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C1=O 673261602 WMLUWGFDUHEDBV-SFHVURJKSA-N 413.453 0.915 30 20 HCED COCCNC(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725765927 QYNPTKFJQAKPEF-OAQYLSRUSA-N 413.478 0.757 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)C1=O 726043641 ZANONAZLXJZUJL-UHFFFAOYSA-N 413.386 0.516 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)N1C(=O)NC2(CCCC2)C1=O 726735940 RWIBVONLOIBFNX-LBPRGKRZSA-N 404.448 0.757 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)cc1 730397219 ROHQGYLGQCDGGX-XSOQZJFOSA-N 408.480 0.685 30 20 HCED 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BFDWGFPTPPJOLF-WOYCLPQFSA-N 411.543 0.389 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836010912 VQJDGHKVDZDBBP-UTKZUKDTSA-N 403.479 0.442 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836198879 GWNJHVDWDDRNEQ-DYESRHJHSA-N 420.510 0.221 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4c(c3)CC(=O)N4)CCO2)C1 1836790191 BEYNHAQXWBCYFL-RBZFPXEDSA-N 419.503 0.570 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1836858902 CJTHIGMLWZHEKD-IRXDYDNUSA-N 419.522 0.714 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837310985 WOTRXJYEQGJTCP-PXNSSMCTSA-N 403.483 0.503 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837392749 HEYDPQZILQFXLN-UWJYYQICSA-N 420.510 0.372 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)ccn3C)C2)C1 1837400579 IFVGYXSXGMAGPO-VGOFRKELSA-N 419.522 0.977 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1837535749 KMDFMMWHHRIGKP-FQEVSTJZSA-N 411.418 0.720 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)OC(C)C)CCO2 1837592415 RBKOWXDLDJWGDT-SXQBJFQMSA-N 423.510 0.115 30 20 HCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1837795807 RYPCLXFRAMXYLB-QGZVFWFLSA-N 411.524 0.866 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5cccnn5n4)CCO3)C2)CCC1 1838430854 FSGBHRBARUHREK-NRFANRHFSA-N 424.461 0.493 30 20 HCED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838596158 RMSKSCOZKDFKJT-XOBRGWDASA-N 420.897 0.876 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3F)CCO2)C1 1838854092 ZQWHVHVAAVQNPE-HRAATJIYSA-N 404.438 0.934 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645168 AEBDUCZDLNYIPJ-CXQWBTLCSA-N 409.483 0.074 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C(=O)OCC)c3F)C2)C1 1839808814 CHUDBUNQXVLKDY-OAQYLSRUSA-N 418.421 0.706 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1839845723 ZFRIWIZNFYSCNK-TXPKVOOTSA-N 400.541 0.769 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1)C(F)(F)F 1839892594 VYEMRQHZRYOGMI-BDUNBXCCSA-N 420.384 0.681 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1)C(F)(F)F 1839894393 ASYDHMVUUKQQLE-YATRRXNKSA-N 414.384 0.998 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840143718 CBURAGSZPLVHER-HMFYCAOWSA-N 418.490 0.612 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@H](C)C#N)c3)CCO2)C1 1840716963 YYNFOWQIBCAYSW-VWKPWSFCSA-N 401.463 0.764 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)CCC1 1840813212 MSCOKBDRFLEOSU-HXUWFJFHSA-N 400.435 0.551 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1845188130 JNVDSUPMEVASDM-OCCSQVGLSA-N 422.507 0.502 30 20 HCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1845200185 RGZDMHJPAPGKOO-GJZGRUSLSA-N 409.531 0.335 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845992493 XWSLNEOJDPSPNS-QVKFZJNVSA-N 420.510 0.795 30 20 HCED Cc1cn(CC(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)c(=O)nc1O 1846968195 KMJGAYOCKRUOCZ-UHFFFAOYSA-N 406.442 0.512 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 27260953 NITSLYAZBILOCU-UHFFFAOYSA-N 415.475 0.734 30 20 HCED C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29249723 GFULGTHDJSZAJO-DZGCQCFKSA-N 421.523 0.580 30 20 HCED C[C@@H](Cn1cccn1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 46462769 PHRURKPUAVQMAR-HNNXBMFYSA-N 402.480 0.859 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CSCC(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410121021 RPQSAKNJCXSNSE-IYBDPMFKSA-N 422.551 0.210 30 20 HCED COCCN(C(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@H]1CCS(=O)(=O)C1 428782283 KVWZCGSECPMWFQ-DLBZAZTESA-N 422.507 0.068 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434827268 QIDPIJADXPYLCO-MRXNPFEDSA-N 414.510 0.818 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 437062855 NVTQGZHLYSSTON-YOEHRIQHSA-N 400.435 0.774 30 20 HCED COC(=O)c1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)o1 438226303 AHRGYMOJAUUGMA-UHFFFAOYSA-N 409.424 0.541 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 438760832 YLFWIYAGNVIZTP-UHFFFAOYSA-N 409.512 0.368 30 20 HCED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 439389336 UOSDYPKLSAIEFO-INIZCTEOSA-N 414.853 1.319 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 439797732 BUCSBIIEEOVHSG-HNNXBMFYSA-N 411.480 0.496 30 20 HCED CC(C)[C@@H](NS(C)(=O)=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 476690732 ZRPNYHHHYYUDMZ-QGZVFWFLSA-N 418.523 0.949 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 480950103 CUPAAVRHSWCVFW-CABCVRRESA-N 418.460 0.918 30 20 HCED N#Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(Br)c1 481086372 DDWDOVRZHWGJQM-JKSUJKDBSA-N 414.325 0.908 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)CCS(C)(=O)=O 482423999 PHDCVMWGLSNJQJ-LBPRGKRZSA-N 401.510 0.555 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(-n4cnnn4)cc3)C2=O)cc1 486017027 MUOSKZCRYVBLFA-LJQANCHMSA-N 401.430 0.994 30 20 HCED CCNC(=O)C1(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCC1 488665551 VSUJVROSDBQSCL-UHFFFAOYSA-N 409.450 0.809 30 20 HCED C=CCN1CC[C@H](N(C)[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 499994820 HKDCPDNWRORBQT-PBHICJAKSA-N 408.524 0.100 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)S1(=O)=O 509739969 LLRITCYBDBFTPY-DOMZBBRYSA-N 416.463 0.502 30 20 HCED C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)CC1 510691421 RZUBGVINZMUCHR-SFHVURJKSA-N 402.470 0.416 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 510695187 BBJVMVPMHWAXQJ-MXWKQRLJSA-N 402.502 0.122 30 20 HCED CCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 511009153 GEYHCDSXPKGCSG-UHFFFAOYSA-N 408.933 0.997 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 520732448 HXMGODWUITYPGH-SFHVURJKSA-N 419.551 0.731 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)cn1 531115690 JKUJBVPKNHHXQY-ZDUSSCGKSA-N 417.369 0.978 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 537362089 BLZZJUWPOKWDFU-UHFFFAOYSA-N 414.422 0.497 30 20 HCED Cc1nc([C@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CCO2)n[nH]1 543004544 AKDHXYWXYKGODS-OAHLLOKOSA-N 424.396 0.848 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C(=O)NCCCCC#N)CC2)c1 553592621 UCORNXSNMXCMCO-UHFFFAOYSA-N 406.508 0.946 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2OCCC)CC1 554659278 ZCUWLNJGUOXULK-UHFFFAOYSA-N 416.522 0.846 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 557495432 CSMSUIZFBVPQPB-QGZVFWFLSA-N 421.461 0.342 30 20 HCED CC1CCN(CCCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 559808064 JGSLVCLDULKAQT-UHFFFAOYSA-N 403.531 0.883 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)n1 559908504 CMTDYKYYUXSEMZ-UHFFFAOYSA-N 419.239 1.183 30 20 HCED Cc1cc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)on1 560872224 QZPWVGADDCZXNI-UHFFFAOYSA-N 403.464 0.477 30 20 HCED Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)c1C#N 562811666 JONULJQQBXKLRO-CYBMUJFWSA-N 412.541 0.579 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)cc1 563323237 PROLATBOZYOBLQ-ZDUSSCGKSA-N 404.452 0.722 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)ccn1 563485803 XOITYMXNSMENLY-OAHLLOKOSA-N 406.402 0.920 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(CC4CC4)CC3)CC2)c1C#N 564718616 NHKJYBAXVWFZBU-UHFFFAOYSA-N 413.526 0.239 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3F)CC2)c1 569862699 NSVVWYYTLBNVAO-UHFFFAOYSA-N 403.439 0.719 30 20 HCED N#Cc1ccncc1N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 578832664 MDOSPJHUKMJOQJ-UHFFFAOYSA-N 407.477 0.112 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 581041839 BOQJFHFPMUUNOJ-ZDUSSCGKSA-N 401.510 0.292 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CC1 586824798 UHULASOIEUUMBR-LJQANCHMSA-N 417.485 0.419 30 20 HCED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)c1 588125003 SGDFGYHAKXJNAG-INIZCTEOSA-N 415.494 0.503 30 20 HCED N#CC1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 590490757 PRTVLFNMPNQRGN-CYBMUJFWSA-N 418.397 0.600 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1CC(N)=O 608911874 UGIZLQDIYMQIOB-UHFFFAOYSA-N 416.528 0.146 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 609404711 OLCYJPGYRNFDIN-UHFFFAOYSA-N 403.508 0.957 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccccc2[C@@H]1C(N)=O 610805897 OIKDLPKLDZPRCL-FZKQIMNGSA-N 412.471 0.836 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(N)=O 611492462 HHQFTOUYMCASSG-UHFFFAOYSA-N 418.406 0.171 30 20 HCED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 619878784 ADOKAWDAGXCROW-RHSMWYFYSA-N 401.467 0.037 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 675404081 FKPSFGBXOVRNFA-KRWDZBQOSA-N 424.505 0.877 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)CC1 728534297 GOEQLLVDCYMCKP-UHFFFAOYSA-N 411.437 0.187 30 20 HCED COc1ccc(C=NNC(=S)NCCCN2CCOCC2)c(OCC(=O)O)c1 734362949 DPLCCNWXNYIXCJ-UHFFFAOYSA-N 410.496 0.679 30 20 HCED COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 735054983 LPTPKONSUAAJCW-BQOWYSNXSA-N 421.475 0.748 30 20 HCED COC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(S(N)(=O)=O)c2)S1 743277192 LGUIJJBKJVIDLY-JOYOIKCWSA-N 400.482 0.285 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 744879267 VNKYBWLRWNDKEM-NSHDSACASA-N 402.494 0.741 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 746216324 YAKUJSKKHZIPPN-RDJZCZTQSA-N 422.526 0.641 30 20 HCED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 746989037 FFFRGYQQTXWPHD-UHFFFAOYSA-N 401.448 0.665 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 747735256 OZYIUBKVTJEVNW-IXDOHACOSA-N 419.547 0.881 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 748425847 GLPJNQWOHIMBKZ-JZLYGMAVSA-N 411.484 0.393 30 20 HCED CCOC(=O)C1=C(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)NC(=O)N[C@H]1C 750822242 LBTGKJNTEPHRMX-YBTHPKLGSA-N 411.418 0.844 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C)c2C(=O)OC)CC1 751107848 RJKDIAWPMOKTPS-UHFFFAOYSA-N 407.492 0.227 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1=O 751630297 GKCGVMKJUSAKNY-SGTLLEGYSA-N 402.432 0.989 30 20 HCED CCNC(=O)C1(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCC1 754442387 IFMRHJQCIBGRFK-CYBMUJFWSA-N 406.508 0.926 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(CNS(=O)(=O)c3cn(C)c(C)n3)n2)c1 761803112 IPNNYBLVJZXRRX-UHFFFAOYSA-N 414.447 0.620 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(CCO)CC2)c1 764064495 NOTMBGWMFIFNBL-JZJYNLBNSA-N 409.512 0.641 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 765875792 GIQILNUXYGJSGY-HNNXBMFYSA-N 406.512 0.926 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C#N)CC(C)C2)CC1 767425369 REBNABHHIFPCGO-UHFFFAOYSA-N 424.479 0.607 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(Cc3ccon3)c2=O)cn1 772311242 KBCSLCWQVVQYPQ-UHFFFAOYSA-N 410.459 0.272 30 20 HCED C=CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 772716516 BQQQHHAOFPUVDC-UHFFFAOYSA-N 408.885 0.607 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1)[C@@H]1CCCO1 773791958 SCYAETFRAYEIIO-RDJZCZTQSA-N 415.446 0.160 30 20 HCED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)C(=O)Nc1cccc(OCC#N)c1 774017754 MQPKSVRVDFXBCT-UHFFFAOYSA-N 402.432 0.800 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1 781036311 LFZHDHLJSPQCGR-GOEBONIOSA-N 422.459 0.165 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)cc1 781036313 LFZHDHLJSPQCGR-ZBFHGGJFSA-N 422.459 0.165 30 20 HCED C[C@@H](C#N)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 781946319 YYOBVSOULSOKOG-LBPRGKRZSA-N 418.497 0.250 30 20 HCED CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1 782129204 GZWHVJPAIBWAKT-UHFFFAOYSA-N 413.459 0.991 30 20 HCED C[C@@H]1[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C 786456780 MRESQAJKTJUDMP-HZSPNIEDSA-N 413.496 0.598 30 20 HCED CC(C)(C#N)CS(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 790008050 XHFGWYNWPLHJGV-UHFFFAOYSA-N 415.537 0.818 30 20 HCED CCCCCCC[C@@H](CC(=O)O)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 792563606 PWRWSCLSTWZIRL-AWEZNQCLSA-N 413.562 0.602 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2nccnc2C)CC1)c1cc[nH]n1 799735911 DBTSIRJIYBBCMO-UHFFFAOYSA-N 401.427 0.141 30 20 HCED COC[C@H](C#N)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801507573 MQGHMISGMOQBHL-AWEZNQCLSA-N 413.427 0.374 30 20 HCED COC(=O)[C@H](Cn1ccnc1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 807283877 LVWSSUZINDZLBE-OCCSQVGLSA-N 419.463 0.058 30 20 HCED C#CCN1CCN(C(=O)C[C@@H](CC(C)(C)C)C(=O)N2CCN(CC#C)CC2)CC1 809628575 ZHTBVJHKZMWOML-FQEVSTJZSA-N 400.567 0.984 30 20 HCED C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC)c1 812041079 QEBMBSSBSHHOIM-CYBMUJFWSA-N 404.496 0.964 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812279347 PYOMOJJFIJJHSZ-UHFFFAOYSA-N 405.430 0.242 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 814541725 SNKPHJNHNLWXIZ-AWEZNQCLSA-N 412.464 0.898 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 815861486 LCDYKUDXMARRJQ-UHFFFAOYSA-N 400.479 0.698 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 816130172 BTGVAWZMGRRZDU-LBPRGKRZSA-N 418.387 0.913 30 20 HCED CCOC(=O)c1c(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)n[nH]c1C 912560371 MFQRBPUJTRCTFS-UHFFFAOYSA-N 412.449 0.993 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N(C)C)c1 918242146 XJYRYCSXRMYMIO-JWGURIENSA-N 423.539 0.894 30 20 HCED CC(=O)NCC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 918859439 STHCDRMITCCDND-UHFFFAOYSA-N 401.379 0.134 30 20 HCED Cc1nn(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c(=O)c(C#N)c1C 1115818277 QIWBTZWFNHLFPD-JTQLQIEISA-N 401.448 0.357 30 20 HCED COc1ccc(C(=O)NCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 1116026139 ZGFNJUVNYFJJFR-HTXNQAPBSA-N 402.407 0.076 30 20 HCED N#Cc1ccc(-c2cc(N3CCN(C(=O)NCC(=O)N4CCOCC4)CC3)n[nH]2)cc1 1231069633 TWIVKPCGVQVYTC-UHFFFAOYSA-N 423.477 0.639 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(C(=O)NC3CCN(CC#N)CC3)CC2)n1 1252630203 VHVFVJMLQIFBOI-OAHLLOKOSA-N 405.503 0.982 30 20 HCED CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1306548235 YZMAQDXRDACMGI-JKSUJKDBSA-N 417.514 0.795 30 20 HCED CS(=O)(=O)Nc1cccc(F)c1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1319063196 QENILJGSPYIWGP-MSUUIHNZSA-N 410.427 0.730 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=CC(C)(C)S(C)(=O)=O)CC1 1320193998 SXIUKBVZXLZDLB-UHFFFAOYSA-N 403.530 0.239 30 20 HCED CC(C)(CS(C)(=O)=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 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446523116 NFZKSKMKDKBYEA-INIZCTEOSA-N 402.499 1.176 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 460550446 HPRIJZMIBVFTQI-STQMWFEESA-N 407.562 0.724 30 20 HCED Cc1c(Br)cc(C#N)c(=O)n1CC(=O)NCCCN(C)S(C)(=O)=O 460944984 TWCIBKYYSGNAOJ-UHFFFAOYSA-N 419.301 0.189 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 462092267 LEWSFLHJUXBDOE-UHFFFAOYSA-N 422.493 1.219 30 20 HCED CN(CC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 468852946 DYHBEVQRNNYVQK-GOSISDBHSA-N 411.480 0.388 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnc(O)nc3N)CC2)c1 470964426 YDWRQKNVUVVAJF-UHFFFAOYSA-N 418.479 0.191 30 20 HCED CC(C)[C@H](NCC(=O)NCc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 470992777 ALQXLHWLOIWBKI-NRFANRHFSA-N 423.521 0.985 30 20 HCED Cn1nnnc1N1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476010308 NIEXCVAPVCFGGL-KRWDZBQOSA-N 408.466 0.358 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482182917 QRFOENOKNPEZGD-HOTGVXAUSA-N 407.540 0.367 30 20 HCED N#Cc1cccnc1OC1CCC(N2C(=O)[C@@H]3CS(=O)(=O)CCN3C2=O)CC1 484482472 IZVZMMXCLDRBKV-NRXISQOPSA-N 404.448 0.704 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 504337416 DVJMXTMEGSOLPY-UHFFFAOYSA-N 412.446 0.951 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(F)(F)F 507030803 AKPDEDMDMNPFJG-ZDUSSCGKSA-N 418.397 0.386 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O 508096494 DSQSPKJIJLKSQY-CVEARBPZSA-N 418.881 0.807 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cc1 532750913 MXXMHMZKCBVZSW-CQSZACIVSA-N 409.468 0.083 30 20 HCED COC[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 533225076 VPFXCQLXZAUTJJ-IBGZPJMESA-N 423.491 0.903 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](C)C#N 540312078 CCMSGGGTFBLXPR-ZDUSSCGKSA-N 424.479 0.321 30 20 HCED N#C[C@@H]1CSCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 540430497 OOEPZIIPKMIALK-CYBMUJFWSA-N 411.505 0.984 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCCC#N 541385963 KHBCKDXLWMDRIA-UHFFFAOYSA-N 424.479 0.465 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)C1=O 542245500 JXDSDCJZDQASRY-CQSZACIVSA-N 404.810 0.316 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O 543956632 KQRSIEJMALGEGG-SJCJKPOMSA-N 416.434 0.896 30 20 HCED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccn1 546903626 LQXUCFBYLZTRBD-UHFFFAOYSA-N 407.434 0.337 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc(C)c3ccccc3n2)CC1 552854263 HZOWXRHLXOJYTL-UHFFFAOYSA-N 410.478 0.001 30 20 HCED COCCCN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 553265823 FCMHDIARUBFHRB-UHFFFAOYSA-N 413.522 0.824 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC2(O)CCN(C)CC2)c1C 556504315 SPRWEJYNVKPFPE-UHFFFAOYSA-N 410.478 0.872 30 20 HCED C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 561131576 SFXKYGYRZZTVBV-ZFWWWQNUSA-N 422.482 0.285 30 20 HCED Cc1cccc2c1OC[C@H](NC(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2 562159236 KVUOBEKHDYNRBQ-GOSISDBHSA-N 416.441 1.565 30 20 HCED C=CCOC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 573508005 VCAVFCNBMVYCBZ-SNVBAGLBSA-N 410.901 0.882 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 577163432 NMNSRRULJZOALU-STEAMIEHSA-N 420.473 0.592 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3ccccc3C#N)CC1)CC2 580376850 BFGBRSCMWPCGIK-INIZCTEOSA-N 423.477 0.076 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)CC3CCS(=O)(=O)CC3)CC2)c1C#N 582455886 PHRRERSOUFLPNP-UHFFFAOYSA-N 418.566 0.600 30 20 HCED C[C@H]1OCC[C@]12CN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)CCO2 587640003 HHZLYPXPJQQXDW-VFNWGFHPSA-N 413.478 0.445 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)C2=O)cc1 588868407 LQXXJJNYZFNINT-HKUYNNGSSA-N 422.441 0.968 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ncccc3C(N)=O)CC2)nc1 588962687 LYAQKPOLOFZSKO-UHFFFAOYSA-N 400.464 0.043 30 20 HCED CSc1nc(O)c(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1C#N 603921757 XEHKGNWDPUJMEH-UHFFFAOYSA-N 403.464 0.288 30 20 HCED N#CCN1CCC(NC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)CC1 609340382 RKPLIRKFSWEZCT-UHFFFAOYSA-N 404.559 0.998 30 20 HCED CC[C@H](C)[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 609532744 PUUWOMUDBWJROC-JXFKEZNVSA-N 401.511 0.949 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cn2)cc1 609603255 KTUGISOTJMOWNY-UHFFFAOYSA-N 408.374 0.352 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN([C@@H](C#N)C(C)C)CC1 610735057 QRHFJJREDIIIIJ-INIZCTEOSA-N 409.512 0.447 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 615104728 WQYFLFOEEZPWME-CQSZACIVSA-N 422.511 0.110 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 616694891 HEECUAGGAICAKN-UHFFFAOYSA-N 423.491 0.855 30 20 HCED CC(C)(C)N1C[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1=O 681338703 FPGNIDDLXHDIRI-IYBDPMFKSA-N 418.538 0.516 30 20 HCED COc1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1S(=O)(=O)NC1CC1 731772811 XIYGEWVTWBYAKG-UHFFFAOYSA-N 405.436 0.643 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 732319949 USWWUDUZFMMBFD-MRXNPFEDSA-N 404.448 0.847 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H](C)CS(C)(=O)=O)C1=O 733200676 HIHJCRTURGDEBH-LZHUFMSSSA-N 412.537 0.493 30 20 HCED N#Cc1ccc([C@H](OC(=O)CSc2nnnn2CC(F)(F)F)C(N)=O)cc1 734583165 ROOJWIIAUKWMTE-NSHDSACASA-N 400.342 0.969 30 20 HCED Cc1cc(C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)nc2c1c(=O)n(C)c(=O)n2C 739144213 PTFGDRBHCXOYDH-ZDUSSCGKSA-N 415.450 0.194 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@@H]1CCOc2ccccc21 742144054 RIVHJDYRVZQSSN-MRXNPFEDSA-N 421.482 0.264 30 20 HCED CCNC(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742498038 DMMOBFMHOFPIKH-ZDUSSCGKSA-N 407.496 0.377 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cn1 744733710 FHDJNTIEJDKEOI-UHFFFAOYSA-N 402.392 0.363 30 20 HCED CN1/C(=C\C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)C(C)(C)c2ccccc21 748694074 MQIPWQGPOVESSC-IUPCOXQMSA-N 411.462 0.894 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(CC)s2)c1=O 752185781 QFZFIXAQVBDSOH-UHFFFAOYSA-N 416.528 0.477 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)c1ccccc1 767630333 ZDNWMYFHLAKDFH-ZDUSSCGKSA-N 415.427 0.725 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2ncn(C)n2)C1=O 768419174 YZBQGCVWAUPFIF-CYBMUJFWSA-N 402.436 0.812 30 20 HCED N#Cc1cnn(CCOC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1N 768779553 WAQSHIKNQADJMX-OAHLLOKOSA-N 419.463 0.651 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cn1 770454570 JYCWJRPKEGVSAX-UHFFFAOYSA-N 402.432 0.677 30 20 HCED C#C[C@@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 775793698 NBHIBPDGNJNGLP-MJGOQNOKSA-N 405.520 0.987 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 779480120 SMMVNAAGTYDLCF-HHQHTSIZSA-N 422.507 0.714 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 782925694 NHEQFQFKPULRBB-UHFFFAOYSA-N 414.874 0.613 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 783479807 GAZVUVRDZGYIAY-INIZCTEOSA-N 400.460 0.519 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 787752861 CSBRVJHNONYJTN-UHFFFAOYSA-N 423.433 0.738 30 20 HCED C[C@H](O)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 793873919 XGYLGSWHEBVLMX-ZNMIVQPWSA-N 408.524 0.417 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)C(=O)NCCF)cn1 799862598 YHPLVVILTRDCNE-RISCZKNCSA-N 424.502 0.977 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)n1 807066355 JACLUIGARAWEDC-UHFFFAOYSA-N 411.462 0.880 30 20 HCED O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)NC3CCCCCCC3)cn2)C(=O)N1 814223529 WRVHKZUTFYLUDU-UHFFFAOYSA-N 422.467 0.607 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1 815689009 XSBRSOYHWOZXII-RCAMIRMHSA-N 420.491 0.135 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC(CN3CCN(C)CC3)C2)ccc1F 820465170 HBHNZTITJACNKS-UHFFFAOYSA-N 410.515 0.609 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1F 838666254 XYLIBMFHZXJWHD-UHFFFAOYSA-N 409.446 0.577 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)[C@@H]2CCCN(C(N)=O)C2)cc1OC 916923990 STXPLIWUSMGHMC-HUUCEWRRSA-N 402.451 0.862 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCCO)c(OC)c2)c1 918331410 KHVZBTFPNYGXME-UHFFFAOYSA-N 418.471 0.908 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCS(C)(=O)=O)cc1 921062034 AEWQLFVDSBNAHZ-JXAWBTAJSA-N 402.498 0.666 30 20 HCED C=CCN(C(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)[C@H]1CCS(=O)(=O)C1 1116190280 DPULEHNTSHCOMS-VIFPVBQESA-N 419.389 0.528 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1)C1CCCC1 1211881389 QDYVVKRSQKUYDF-QGZVFWFLSA-N 414.553 0.986 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCOC2)C1 1302481333 ZCDNMDWJJLNKRP-HOTGVXAUSA-N 424.527 0.387 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 1307383731 JEXHMTKOKRRSSI-UHFFFAOYSA-N 402.432 0.567 30 20 HCED C=CCN1CC[C@@H](N(C)Cn2nc(C[C@H]3CCS(=O)(=O)C3)n(C)c2=S)C1=O 1327011998 DVRVGCQFYHKKOH-ZIAGYGMSSA-N 413.569 0.604 30 20 HCED CN1CCC(C#N)(NC(=O)c2cccc(C(=O)NC3(C#N)CCN(C)CC3)n2)CC1 1331872889 NAEVJMTUEJRVCI-UHFFFAOYSA-N 409.494 0.517 30 20 HCED N#CC[C@]1(O)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1460298332 RHIGLZFHXMZETJ-FQEVSTJZSA-N 420.535 0.828 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1cc(Br)ccc1C#N 1475481954 PYHNVWPPMSOGGH-GHMZBOCLSA-N 409.283 0.411 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@]3(O)CCOC3)CC2)c1C#N 1511665026 LDXNNDXCLZDUNF-FQEVSTJZSA-N 414.514 0.793 30 20 HCED Cn1nccc1[C@@H]1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1543526697 MPWPXPFMVLJJGV-DOMZBBRYSA-N 403.464 0.495 30 20 HCED CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1598136255 BSPSXIKCNWBXPL-INIZCTEOSA-N 409.498 0.684 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H]2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)[C@@H]2C1 1622249553 KOVRZNLTGFEMKQ-SOUVJXGZSA-N 400.501 0.787 30 20 HCED C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1NC(=O)OC(C)(C)C 1628627272 QWRBEIFLUPHKPK-OCCSQVGLSA-N 405.455 0.972 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1631886860 YUHFVTDXHMURSS-QWHCGFSZSA-N 405.455 0.972 30 20 HCED Cc1cc(O)nc(N2CC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 1638200319 URSYTZOVBGHIHI-INIZCTEOSA-N 415.475 0.672 30 20 HCED CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1678168553 IGCSCFJJVVXXEZ-UHFFFAOYSA-N 401.515 0.583 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695872700 KGSZRUHBOATITM-GQIGUUNPSA-N 418.521 0.697 30 20 HCED Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1696868442 RHHCVQNZWGVSEE-LJQANCHMSA-N 401.446 0.974 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)n1 1742332901 MJMOXJAOLRAJNB-HUUCEWRRSA-N 402.480 0.812 30 20 HCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)no1 1761688979 QMBVGFZUDCLEKE-SWLSCSKDSA-N 423.499 0.552 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778060250 JNXSORRXECOHAL-IQUTYRLHSA-N 419.438 0.484 30 20 HCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274815 HLDAOOIFOHWLMF-SIKLNZKXSA-N 412.490 0.631 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1778970624 GTYIYLZQYIZMOS-HRAATJIYSA-N 413.478 0.975 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ncn(C(C)C)n3)CCO2)C1 1778972461 VFVJVGKLOBUPHO-QRWLVFNGSA-N 405.499 0.876 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1779105215 ROKNRJZHMVYWGU-SMCFQVJDSA-N 422.526 0.831 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062355 CQOYHKIMHJSNEG-JOCHJYFZSA-N 423.473 0.727 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1780993265 QDWNPZVXNDULRL-ZVYDBLGCSA-N 404.511 0.017 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CNC(=O)C2)C1 1781779423 LIDABFSYRWRAPH-WHSLLNHNSA-N 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HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840172821 KTCRBQQGPVBWRK-LJQANCHMSA-N 417.491 0.920 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1840291842 JAJCZINAZTYSGJ-NRFANRHFSA-N 400.479 0.669 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4nc[nH]n4)C3)C2)CCC1 1840816480 VRXJQYPSJHGDAR-GOSISDBHSA-N 420.495 0.047 30 20 HCED CCOC(=O)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1840817031 DAJYTPYRLIXJPL-HXUWFJFHSA-N 422.482 0.225 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840818746 VTOVFRMAPUXJGO-QHCPKHFHSA-N 423.469 0.807 30 20 HCED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H]2CCCS2(=O)=O)C3)cc1 1841100966 GZOHJVKZHRSVRD-KRWDZBQOSA-N 401.488 0.881 30 20 HCED NC(=O)c1ncccc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842156780 QDCJDSPGWDQZGJ-IMQYADFFSA-N 415.450 0.527 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C(C)(C)n2nc(C)ccc2=O)C1 1844353080 FHPGMVKYTXQFOM-MRXNPFEDSA-N 400.479 0.529 30 20 HCED COc1cc(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)ccc1[N+](=O)[O-] 1846196364 PCHYFFJMDXAONK-UHFFFAOYSA-N 401.375 0.437 30 20 HCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1846257323 DZDGJRUCBSHZJR-HNNXBMFYSA-N 404.529 0.204 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(NC(C)=O)o1 1847262611 XICJIVNYPOOODF-UWERJEOXSA-N 400.435 0.912 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC(=O)N(C)C)nnc12 11022729 UTWWDWCRJPFSLC-UHFFFAOYSA-N 414.491 0.869 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1 48598380 PPKLGLYDRGIURY-UHFFFAOYSA-N 405.480 0.835 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(CC)Cc2cccc(F)c2)c1=O 104985986 DCKZNKCTPHTWDZ-UHFFFAOYSA-N 402.426 0.732 30 20 HCED CCN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 106172254 UUVCROILGDIIES-UHFFFAOYSA-N 407.540 0.636 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCO1 409513743 OBZICLLTOHIRRY-FZMZJTMJSA-N 402.835 0.643 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)n1 410135381 NIEFNTZVOCMGJH-UONOGXRCSA-N 400.505 0.621 30 20 HCED Cn1ncc2c(N3CCN(C(=O)Cn4nc(C#N)c5ccccc54)CC3)ncnc21 432494103 YMLWHVJUISRWHK-UHFFFAOYSA-N 401.434 0.933 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1C(F)(F)F 440397362 HSLFEFOEQCABMZ-LLVKDONJSA-N 404.370 0.795 30 20 HCED CN(CC1(O)CCOCC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442503755 XLTLVJQYXPTLHD-UHFFFAOYSA-N 401.398 0.821 30 20 HCED CO[C@@]1(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCOC1 461792243 YUADVJRWQDWEDK-GOSISDBHSA-N 403.826 1.258 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cn1 462103558 PNUCMXROZLPNKN-UHFFFAOYSA-N 418.417 0.676 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 465187380 VDTXBFKYBDXVJD-DZGCQCFKSA-N 409.454 0.107 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1C 472861834 KDHGKWCUSSOEDG-UHFFFAOYSA-N 413.438 0.013 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC(O)(CC#N)C1)n2C 473365681 CKDOSCFXDSDMHC-UHFFFAOYSA-N 405.480 0.243 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCOCC(N)=O 473997030 TYHFHXVXIUYGHL-UHFFFAOYSA-N 400.229 0.716 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 474183802 JEWGUOHFTVCDKF-LLVKDONJSA-N 403.420 0.021 30 20 HCED Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1C#N 474189502 NVLXWYLCDVZYML-UHFFFAOYSA-N 404.408 0.347 30 20 HCED C=C(C)COCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 474551285 PCZLIDYGADPICT-UHFFFAOYSA-N 412.508 0.968 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475189760 KJBUYSBPTQOLHW-UHFFFAOYSA-N 410.434 0.211 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 475483246 UFRRXHKQNRIUJJ-GASCZTMLSA-N 407.471 0.166 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477217159 DDNIBANBGJIFIJ-UHFFFAOYSA-N 414.418 0.925 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(CS(N)(=O)=O)cc1 480467095 HEFJIAZZCNOSLY-GFCCVEGCSA-N 422.488 0.652 30 20 HCED CNC(=O)c1cccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482107756 XTORKGKZVLDVOT-AWEZNQCLSA-N 414.487 0.944 30 20 HCED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488641128 UIEMJFXJONDACP-MRXNPFEDSA-N 407.430 0.421 30 20 HCED CC(C)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)N1CCN(C)CC1 498456552 GRMCJZOMYUPKKS-LJQANCHMSA-N 406.552 0.861 30 20 HCED C=CCN1CC[C@H](N(C)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 500018099 KTVYWGSJAHZVRJ-KRWDZBQOSA-N 408.524 0.102 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)C1=O 501443904 BXIUMBGFAAHQHW-INIZCTEOSA-N 402.451 0.247 30 20 HCED COCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 505166072 QJIWSWWXVRSNPV-MRXNPFEDSA-N 410.434 0.651 30 20 HCED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 509838594 WGBCFLOWJDMEOU-LSDHHAIUSA-N 421.523 0.877 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)n1 513302190 SLIRARSTAQCXDE-UHFFFAOYSA-N 407.365 0.632 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN3C[C@H](C)O[C@H](C)C3)CC2)C1=O 519127437 AVAXKIMPEFWYJI-GASCZTMLSA-N 406.483 0.311 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H](C#N)C1 520691176 DLDUKNJDGMOYHT-TZMCWYRMSA-N 401.485 0.977 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3ccnn3C)c2=O)cn1 523863777 AOTICSKDIVNPBP-UHFFFAOYSA-N 410.503 0.967 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 524454383 VGLLBEGIWJBLBY-MRXNPFEDSA-N 423.491 0.981 30 20 HCED CN(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cncn1C 538020759 JFJSWQYFPOWPPL-SFHVURJKSA-N 416.507 0.428 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCOCC3)n2)c(Cl)c1 543006157 BWWXKPDJVBBVJF-UHFFFAOYSA-N 402.842 0.784 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)cn1 547306768 BGTCVZFMVYAWHZ-INIZCTEOSA-N 407.434 0.691 30 20 HCED Cc1nc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 550277502 PBHHQOWHLHQADM-QGZVFWFLSA-N 411.487 0.899 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 550646746 HRRJYZFDBVYMRR-MAUKXSAKSA-N 413.478 0.007 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(C)Cc1ccc(OC)c(OC)c1 551588630 WOKPFPCVIRWERJ-UHFFFAOYSA-N 410.452 0.619 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 552455691 DODLJPHKBCAWAS-GOEBONIOSA-N 415.469 0.909 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)n1 559038109 DFSRQHZCPBJHFA-ZBFHGGJFSA-N 410.409 1.091 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 560647764 VRZGGTDNPJDWQR-AWEZNQCLSA-N 401.442 0.473 30 20 HCED CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 562236195 CLGAFXHRBZNENE-UHFFFAOYSA-N 409.493 0.594 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCCO[C@H]3CCOC3)CC2)cc1 564078172 FWLYDJZXDYIKDT-FQEVSTJZSA-N 414.506 0.904 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1Br 564359277 SJSOCAZWIVZPMR-NSHDSACASA-N 406.196 0.022 30 20 HCED CC#CCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 565856199 ZRFVQQBFKUNOKM-UHFFFAOYSA-N 421.519 0.639 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 570013732 WVYKDUKKZAYEHK-HNNXBMFYSA-N 422.507 0.493 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)CC1 583960658 NSIBCTNARIYFNQ-MJGOQNOKSA-N 416.522 0.104 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 586882627 GOINJITWHARNSY-INIZCTEOSA-N 423.514 0.217 30 20 HCED CN(C1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1)S(C)(=O)=O 608926191 JMPOWOADDGYYAV-UHFFFAOYSA-N 402.480 0.822 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 615315123 DLTNERGJHSEHHA-INIZCTEOSA-N 401.467 0.028 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC)c(OCC)c2)CC1 674195491 WPJOMMOLSFKGLS-UHFFFAOYSA-N 418.494 0.869 30 20 HCED CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 727013064 ONUHCSISUOTBBO-BBRMVZONSA-N 421.475 0.255 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 728532981 PXGYFMCLDISPPJ-MRXNPFEDSA-N 414.531 0.655 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 728570913 OZJQHZSDMUGZJY-SFHVURJKSA-N 415.513 0.230 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 728589924 NLILNMGTZJFCRH-OAHLLOKOSA-N 418.519 0.040 30 20 HCED COC(=O)C(C(=O)CSc1n[nH]c2nc(=O)c(C)nn12)=C1Nc2ccccc2N1 730084124 BHYDBMKKDMWWSU-UHFFFAOYSA-N 413.419 0.704 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 742069073 YGLKHRRMBGQZPC-SFHVURJKSA-N 416.909 0.977 30 20 HCED CC(C)OCCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 746351420 NGAHFNYDHGRVKH-UHFFFAOYSA-N 408.524 0.684 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O 748567367 KHPRTVHWGHJHFG-CYBMUJFWSA-N 408.455 0.727 30 20 HCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C#N)n(CCOC)c1=O 748785115 NWQBURRJCHUWAA-UHFFFAOYSA-N 400.416 0.890 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cn1C 750620978 QKZCFXYDWIUFOZ-GFCCVEGCSA-N 411.484 0.281 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)ccc1F 751248638 QKNRMLOHMKYRIR-UHFFFAOYSA-N 409.443 0.827 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753360049 TVCCDBPHFWIYAY-UHFFFAOYSA-N 400.460 0.216 30 20 HCED COC(=O)c1cccc(COC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1C#N 756176812 GMDREJBPNJZZQI-UHFFFAOYSA-N 420.447 0.799 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc(S(=O)(=O)CC)cc2)CC1 756976012 KCOVPNNOLOZXSA-UHFFFAOYSA-N 419.547 0.697 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)cc2)c1=O 758060019 XAMOOKBAAHPGHJ-UHFFFAOYSA-N 423.494 0.051 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)COc1cccc(C#N)c1 759880887 VFEAZAJXNPAQPC-UHFFFAOYSA-N 419.415 0.775 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 761023820 LAQBMVJUCDUYKQ-LJQANCHMSA-N 406.552 0.628 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)ccc1F 761026845 SQWXULXWIKTTIL-CQSZACIVSA-N 410.471 0.966 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCSC2)CC1 762029101 QHBPURDWTYBVAS-HNNXBMFYSA-N 423.516 0.687 30 20 HCED O=C(O)[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 769527342 WANONQLKADLMOS-CQSZACIVSA-N 409.464 0.598 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OCC(C)C)CC1)c1cc[nH]n1 772156191 XAZGSNOFKTWCKZ-UHFFFAOYSA-N 409.443 0.630 30 20 HCED COCCOc1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)CCCC#N)cc1OC 776122341 PTLWFCVBYUIRLT-UHFFFAOYSA-N 401.397 0.992 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(C)c2OC(F)F)c1=O 777945483 ITUBMYUISZEDTP-UHFFFAOYSA-N 403.410 0.702 30 20 HCED C=CCCN(OCc1ccccc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 783873069 HJUWZJODTGLDNX-UHFFFAOYSA-N 406.464 0.928 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC1)COC(=O)N2 785080887 AKSLUFAJZPJJAF-UHFFFAOYSA-N 402.407 0.623 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 785215556 GIZMGBNZXITANN-AWEZNQCLSA-N 405.426 0.872 30 20 HCED Cn1c(=O)c(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc2ccccc21 794880379 RSDGWFIHYAUCNS-UHFFFAOYSA-N 410.455 0.893 30 20 HCED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCn2cnc(C#N)n2)C1=O 795183229 HQCJJDDLRYDBQN-FSXJBPCSSA-N 412.479 0.224 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1 796180283 ORSAGMWBPDQEJF-QGZVFWFLSA-N 403.504 0.231 30 20 HCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 797138643 XCZOXLCWPCIBCM-HIFRSBDPSA-N 404.471 0.925 30 20 HCED C=C(C)CN(CC)C(=O)CS(=O)(=O)Cc1c(C)nn(CCS(C)(=O)=O)c1C 797937507 SREAPAVSRLUEGI-UHFFFAOYSA-N 419.569 0.884 30 20 HCED C[C@H](C(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 798860578 UOYYEPWLBSRZCP-LLVKDONJSA-N 412.472 0.556 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(OCCO)CCOCC2)[C@H](C#N)C1 800716567 ZOQJMFHKKKWRJY-HUUCEWRRSA-N 412.487 0.603 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)n1 804747539 GPABSRBIZUIXBD-UHFFFAOYSA-N 419.482 0.227 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc3[C@H]2O)cn1 808970163 KJUFNHDDQWUSDK-NVXWUHKLSA-N 404.386 0.688 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)[C@H]1CCCO1 809309590 GLJVUWQZXPJIFD-RBUKOAKNSA-N 413.474 0.553 30 20 HCED CN(C)CCN(C)CCCN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 811542529 AIAINIVGPOYBSW-UHFFFAOYSA-N 409.556 0.457 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2n1CCC2 837010488 BNKCKRBXTQURNF-CQSZACIVSA-N 416.507 0.994 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCO)CC1 843450226 XJNFZUDLBJURDF-MRXNPFEDSA-N 408.524 0.276 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 916809582 GLUZIMVEBJKPFZ-MRXNPFEDSA-N 415.406 0.622 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N(C)C 918271169 TYQQQNLJTGAWGN-QIAIEURZSA-N 409.512 0.504 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCS(=O)(=O)CC3)CC2)cc1 1318490651 PAVRFVSELMNQJV-UHFFFAOYSA-N 411.505 0.216 30 20 HCED 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KICZLBDOTYIQIO-KRWDZBQOSA-N 410.540 0.815 30 20 HCED CN1N=C(C(=O)N2CCC(OC3CCN(C(=O)CCC#N)CC3)CC2)CCC1=O 1837056242 WPLMEXBXGZKDOS-UHFFFAOYSA-N 403.483 0.897 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1837393357 PNIHLNGNTMZTLE-UTKZUKDTSA-N 420.510 0.372 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837532857 HQFZFPMAAPNNIP-YRMLPGOYSA-N 413.471 0.007 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1 1838640277 ATFBOWQZDULPGY-OAQYLSRUSA-N 423.429 0.025 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839228356 AIBGJPBDVTXEGN-PXNSSMCTSA-N 412.531 0.584 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)c1 1839362196 CWQDMUCJTWVDTC-JOCHJYFZSA-N 423.473 0.870 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])c(O)cc1C)CCO2 1839467846 ZONVBVNJQRBNBP-LJQANCHMSA-N 403.391 0.312 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ccsc3[nH]1)CCO2 1839521619 AEDDZZOJKYDSKR-IBGZPJMESA-N 417.443 0.387 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@@H](C)CC)C2)C1)C(F)(F)F 1839891450 GGFDMWVPXCMKOX-DXCKQFNASA-N 408.417 0.968 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C)c1O 1840045166 UVPHOZWRZCXJSO-NRFANRHFSA-N 416.430 0.167 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840435498 ZLTDFPWRRKQWMV-DYESRHJHSA-N 415.494 0.669 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840581594 INXCFNAIHJIHQD-CNNODRBYSA-N 421.538 0.354 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841582611 LJVPJACSACYPLO-ZIAGYGMSSA-N 401.529 0.091 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129206 AOLUUXMEIYZYCU-GFCCVEGCSA-N 408.480 0.246 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)c1 1844596703 ZGMKMWDZFKQCMF-UHFFFAOYSA-N 408.393 0.717 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1847939151 ADLVZSBAHDONKB-ILXRZTDVSA-N 419.486 0.344 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@H](C)c2ccccc2OC)c1=O 25522158 QLIXPHLCFLDEAJ-CQSZACIVSA-N 400.435 0.430 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O 116308056 IRBABJGDJGJNOX-UHFFFAOYSA-N 401.379 0.220 30 20 HCED CC(=O)Nc1cccc(NC(=O)CO/N=C(\N)C2=C(N)C3(CCCC3)N(C)C2=O)c1 148764507 RZRHZWAXRGSIOM-UHFFFAOYSA-N 414.466 0.870 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 216301081 XNFXTZCGQZUFRO-LJQANCHMSA-N 402.524 0.928 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)N(CC)CCC#N)CC2)n1 410137413 WFBHGIZCSXFXCS-AWEZNQCLSA-N 400.505 0.765 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O 427286539 GIGSNZHIFCJZKZ-ZDUSSCGKSA-N 404.810 0.538 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)Nc2ccn(CCC#N)n2)ccc1OC 433407314 WILYFPZSIZSVJO-UHFFFAOYSA-N 422.467 1.374 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)ccc1OC 435114694 VDRQIAPHNZHLFL-GXTWGEPZSA-N 424.479 0.367 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C1CC1 440383386 NMUDIDUNYVPDRR-UHFFFAOYSA-N 413.499 0.657 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCOC1 441915889 ACXNHJKIPLAKFB-CQSZACIVSA-N 400.504 0.798 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1C#N 442135363 QMUMNONELXWXGA-RNODOKPDSA-N 413.434 0.778 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 443286313 SIZOVSKAQLUPDX-LBPRGKRZSA-N 400.313 0.369 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 460389869 REVBTLXSHHGLRY-AWEZNQCLSA-N 410.544 0.913 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCN1CCCCC1=O 460611135 COVOPROSDRDTSE-UHFFFAOYSA-N 409.450 0.905 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 461803498 ZFZKKPVLJRCSHW-UHFFFAOYSA-N 404.474 0.951 30 20 HCED N#Cc1cccn(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1=O 467211892 PWLHLROOFMFHSK-GOSISDBHSA-N 408.414 0.231 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)cn1C 468635161 MNQYTMCBPJZIOT-CRAIPNDOSA-N 409.512 0.851 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)CC2)cc1 470247263 MIRMGNUHBKBQQU-DOTOQJQBSA-N 420.491 0.108 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)CC(=O)OC)CC1 473196705 MLVGMEZVLMHQIZ-CQSZACIVSA-N 402.451 0.991 30 20 HCED CN(CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 474758493 PZRYZYXPIFSAHR-KRWDZBQOSA-N 420.491 0.075 30 20 HCED CCO[C@@H]1C[C@](O)(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1(C)C 476845637 CSSRPRKZWRMXCY-APWZRJJASA-N 409.508 0.861 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cnn(CC(F)F)c3)C2=O)cc1 488675711 JILWFGOABSGHRJ-OAHLLOKOSA-N 416.388 0.876 30 20 HCED COC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)nn1 494996560 JECWQPCQRMTUHY-UHFFFAOYSA-N 408.418 0.213 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)C1=O 495268461 XDIURRDSBHOHKH-CQSZACIVSA-N 400.439 0.101 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C)c1=O 502022468 YYDBTHPNPNMKLT-UHFFFAOYSA-N 403.508 0.098 30 20 HCED CS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 504127176 FGPMVLNYFGPLHS-KRWDZBQOSA-N 404.492 0.841 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1CCC#N 505013110 IBCNZYXICJYIIO-AWEZNQCLSA-N 407.438 0.443 30 20 HCED CCCc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cnn1-c1cccc(C#N)c1 508359494 OAWGEBNCHDGBLK-UHFFFAOYSA-N 417.433 0.915 30 20 HCED COCCNC(=O)c1cccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 509414447 CGWHAEMEDPAXTF-UHFFFAOYSA-N 424.523 0.299 30 20 HCED CN(C[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1)S(C)(=O)=O 514813529 GAGZQJFJJIZMFV-OAHLLOKOSA-N 400.526 0.330 30 20 HCED C[C@@H]1CSCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 517546833 GBGPYCJDQIVKAY-YOEHRIQHSA-N 400.504 0.987 30 20 HCED C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCO[C@@H](C#N)C1 518004045 XSCUDDAEPHTDGJ-ZBFHGGJFSA-N 408.480 0.259 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 523451135 SVUJBMSGJFDZLT-UTKZUKDTSA-N 415.542 0.878 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(C#N)c3)CC2)cn1 525461125 FNPKNIBTMVERIF-UHFFFAOYSA-N 409.493 0.423 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)C2)nn1 545854380 QYXCVBWQAJOGDN-CYBMUJFWSA-N 414.426 0.286 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCc2nc(C)cs2)CC1 553013265 HNHWUCKXSUTQKN-UHFFFAOYSA-N 407.540 0.337 30 20 HCED CN(C)c1n[nH]c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 553187707 ZVMSJUQIPZKZEI-UHFFFAOYSA-N 403.468 0.782 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1 554542956 UJUUNKHDWJMTFI-UHFFFAOYSA-N 400.526 0.550 30 20 HCED Cc1ccc(C(=O)NCCC(=O)Nc2ccccn2)cc1S(=O)(=O)NCC#N 557638182 INQUMVQTNJKFDT-UHFFFAOYSA-N 401.448 0.951 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)NCC(=O)NCCN3CCOCC3)C2)c(F)c1 561128447 AGSCHVKGGMDKGJ-MRXNPFEDSA-N 403.458 0.088 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 561405045 UQESAADTCSWLTE-KRWDZBQOSA-N 405.524 0.075 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC3CCN(C4CC4)CC3)C2=O)cc1 563963245 JAULUWYYGCPGLI-IBGZPJMESA-N 409.490 0.913 30 20 HCED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 563986822 NVNKGXNMXVPMIM-UHFFFAOYSA-N 401.872 0.708 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCCOc1cccc(Cl)c1 567529150 HAAUTENETCZIIC-UHFFFAOYSA-N 400.844 0.792 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)n1 567718877 XSBWBGCXNWNXLY-CQSZACIVSA-N 410.400 0.355 30 20 HCED CCN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567784560 MYWIPITZNSMSOB-PKOBYXMFSA-N 411.506 0.970 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 588765497 QYGQJKUDWLYWAR-GOSISDBHSA-N 404.474 0.997 30 20 HCED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(C2CCC2)C1 588825785 LXJJZKOVQYXIDF-CABCVRRESA-N 415.542 1.024 30 20 HCED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCCN(Cc2ccc(C#N)cc2)CC1 590615039 IQZCDQWRBHSWEM-APWZRJJASA-N 404.536 0.758 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@]2(C#N)CCSC2)c1 603888455 UDFWCRZBUZHHMY-SFHVURJKSA-N 424.548 0.962 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)Cc1ccccn1 609142738 MEUJKOBOGUHKPP-UHFFFAOYSA-N 417.491 0.997 30 20 HCED CN(CC(=O)N1CCO[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 609268501 ZMILSWUUPOBTRA-LBPRGKRZSA-N 402.270 0.821 30 20 HCED Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(=O)c1 619209653 UDSBCJZACCXBLH-OAQYLSRUSA-N 411.462 0.994 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 678683656 JNQFQRJZGYYACX-QZTJIDSGSA-N 400.479 0.599 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CCOC 725762211 HPHRNWRFCKLCMC-UHFFFAOYSA-N 419.478 0.269 30 20 HCED Cc1oc(NC(=O)COC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c(C#N)c1C 726641657 NHIPUIPGZALYJG-UHFFFAOYSA-N 423.451 0.660 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726670807 NCSAEQDHMPBLNG-DJJJIMSYSA-N 423.491 0.981 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(CCOc2ccccc2)CC1 732466949 UERRKVYYNWYXFM-VXPUYCOJSA-N 413.478 0.919 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)COc1ccc(F)c(F)c1 732467706 WVHLHWJEPBDBBV-WHBPPDGWSA-N 410.377 0.530 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H](C)CS(=O)(=O)CC)cc1 733184341 PPEWDHUMKNHGBH-CQSZACIVSA-N 400.522 0.883 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN1CCN(Cc2ccccc2)CC1 735847358 KIEJFQACVOMBDR-QURGRASLSA-N 411.506 0.837 30 20 HCED C[C@@H](CC(=O)N1CCN(c2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742525391 BCJWDDPESBCVNL-AWEZNQCLSA-N 414.491 0.643 30 20 HCED C#CCCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 747405180 WKDIMNHYYNVYCU-HNNXBMFYSA-N 418.519 0.291 30 20 HCED NC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 753653826 USHOATRORRPVIP-UHFFFAOYSA-N 401.448 0.316 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)[C@H](C#N)C1 754381004 YTLBIYARUJLVSI-CQSZACIVSA-N 423.495 0.721 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccn(C)c3)c2=O)cn1 763459797 CMAUUAJXLLRWAU-UHFFFAOYSA-N 408.487 0.236 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1)[C@@H]1CCCO1 773799604 SZQLXFYTKCWBIV-MOPGFXCFSA-N 412.490 0.700 30 20 HCED O=C(CCNC(=O)C(F)(F)C(F)F)N1CCN(C(=O)C(F)(F)C(F)F)CC1 778949718 SLFIMABLQFPLQE-UHFFFAOYSA-N 413.265 0.964 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 783616454 IOFVKUJONVUGQA-INIZCTEOSA-N 420.491 0.253 30 20 HCED C#CCn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)c1=O 788770525 VKVYMIXWPBMJNY-UHFFFAOYSA-N 424.394 0.030 30 20 HCED C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 795972055 OOCKIWISALOVQK-GFCCVEGCSA-N 402.432 0.505 30 20 HCED COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798744714 AZKHRKWFAFYXCY-GFCCVEGCSA-N 400.395 0.326 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1 799284360 DQZUPSVBGZKHMU-INIZCTEOSA-N 409.508 0.840 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)CC1 802553147 BBLMTDDBWSHIJA-UHFFFAOYSA-N 407.373 0.678 30 20 HCED C[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)Nc1ccccc1C#N 803861754 GLQSNUBXOCFAIG-JTQLQIEISA-N 404.404 0.297 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)c1ccncc1 805807552 JZOYJIZKVAIIIZ-HKUYNNGSSA-N 413.522 0.970 30 20 HCED C#CCCS(=O)(=O)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 810785704 OKJXCVZUSWZCPE-ZDUSSCGKSA-N 401.485 0.362 30 20 HCED CC(=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811639798 HDCPBFXCIRINNR-UHFFFAOYSA-N 417.403 0.968 30 20 HCED N#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 812617755 CCZOBLBXLRWEGK-UHFFFAOYSA-N 424.435 0.665 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(OC)c1 839301237 DTAWEUAJJWYMEZ-UHFFFAOYSA-N 421.482 0.446 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)NC3(C#N)CCN(C)CC3)n[nH]c2n1 917514652 XPPDPANXAXDQKC-UHFFFAOYSA-N 418.531 0.001 30 20 HCED N#Cc1ccccc1/C=C\C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919986273 FQQKCPVQYBZAIH-KEGWNNHHSA-N 423.516 0.233 30 20 HCED 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C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1831421875 UTHNLMQSDCBFTR-OXJNMPFZSA-N 404.467 0.446 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1831431536 DUZXENCDDGDOMH-IERDGZPVSA-N 419.478 0.046 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(F)nc1)CCO2 1832831492 CVZWIZDCJNPAJZ-FQEVSTJZSA-N 404.442 0.913 30 20 HCED NC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1832937561 SZYRVOWWOLDRGD-XDQYTSLISA-N 423.514 0.803 30 20 HCED CC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833093522 GOCVPYDOPWDRFE-HXUWFJFHSA-N 402.539 0.886 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccccn3)CCO2)C1 1833184060 VIKGSDUQFYUPLP-XMSQKQJNSA-N 415.490 0.509 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C)nn3C)CC2)CC1 1833463623 RFYOCXHHDBTSSJ-KRWDZBQOSA-N 415.538 0.952 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3noc(C)n3)CC2)CC1 1833465116 MCKAYZWWXIZYOB-HNNXBMFYSA-N 417.510 0.530 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCc3cn[nH]c3)CC2)CC1 1833812676 HPLHMHXHNUOOBC-QGZVFWFLSA-N 415.538 0.952 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834124659 GAAHDNBQJFJCEH-KKSFZXQISA-N 417.462 0.199 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1835344735 RPIAVDDFCHORNY-WNBNNUDTSA-N 400.435 0.459 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628467 SBUJPCAKHZMKAZ-AUUYWEPGSA-N 423.470 0.436 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486344 BKWZJYCSRZWSOK-PGRDOPGGSA-N 422.522 0.424 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1837533687 ZFXMMYUSSRIWAI-XLKFECATSA-N 423.466 0.276 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1838680701 XREKHAOLMBPMFE-KRWDZBQOSA-N 409.483 0.461 30 20 HCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(F)F)C3)C2)c(C#N)c1 1839131856 CUARYOOXIBYXAS-HXUWFJFHSA-N 423.416 0.831 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1839176442 PEFORFJPPXHYIL-INIZCTEOSA-N 424.828 0.784 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839228357 AIBGJPBDVTXEGN-XLIONFOSSA-N 412.531 0.584 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839360997 KNSNMHTYSFDVIS-KNQAVFIVSA-N 415.490 0.840 30 20 HCED CNC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839450838 JZRKWGKEMSOHGN-OAQYLSRUSA-N 414.462 0.073 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2)C(F)(F)F 1839711546 YSGXNHQOVOSABQ-BBRMVZONSA-N 417.388 0.414 30 20 HCED CCCc1onc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042683 IIOVNKBXIVIZLR-FQEVSTJZSA-N 419.434 0.094 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840174022 DGNJHBFTMCLMNT-OAQYLSRUSA-N 414.462 0.925 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840357848 LODUBOLPKQVOMQ-GHTZIAJQSA-N 417.510 0.893 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)n3cccn3)CCO2)C1 1840441807 HRFWMIWNKOLSMW-WWMYMODYSA-N 420.510 0.474 30 20 HCED Cn1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1=O 1840812199 FKQCYAXKKHYOCP-NRFANRHFSA-N 414.462 0.149 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1840840638 YQYVYYNZORVDSP-OAQYLSRUSA-N 414.462 0.523 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1840843014 ORIMHQCHKKXDRW-QFIPXVFZSA-N 423.473 0.955 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840843947 VFFPXGGPZISXJE-JOCHJYFZSA-N 424.457 0.819 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CCO2 1840910887 PWHUCWFWSMIPNX-IIBYNOLFSA-N 423.510 0.769 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1841607455 NZHTZMASJFCKLW-CQSZACIVSA-N 407.492 0.893 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1841625018 HQHMJJFQLYKBSA-CQSZACIVSA-N 412.537 0.610 30 20 HCED 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COc1ccccc1CCNC(=O)CO/N=C(/N)C1=C(N)C2(CCCC2)N(C)C1=O 148758018 SKBLXKOJRYEVHN-UHFFFAOYSA-N 415.494 0.640 30 20 HCED CN(CCc1ccccn1)C(=O)C/N=C1/NC[C@H]2CN(C(=O)OC(C)(C)C)CCN12 304990603 CYZQICWWIHAIOP-KRWDZBQOSA-N 416.526 0.963 30 20 HCED C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 430227376 ONJRVJCKGOBVII-NEPJUHHUSA-N 414.853 1.448 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 430399783 HTAPHHQGMRIEPL-RBUKOAKNSA-N 406.571 0.960 30 20 HCED N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 431109064 QJMFIOGFXRXDOU-UHFFFAOYSA-N 417.491 0.891 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1C 432725859 AJWNQDOACTUUBI-UHFFFAOYSA-N 418.475 0.461 30 20 HCED N#Cc1ccc(NCc2nnnn2CC2CC2)nc1NCc1nnnn1CC1CC1 436355998 ULRPJOLFMFMERF-UHFFFAOYSA-N 406.458 0.970 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H](CO)C(C)(C)C 441065211 QMORZFMJIWJJIR-GOSISDBHSA-N 422.551 0.730 30 20 HCED 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CC[C@@H](CC#N)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 480742731 XKHZUNYDIOIUID-AWEZNQCLSA-N 401.510 0.987 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCCN2CCN(c3ncccn3)CC2)c(F)c1 481013400 LMWPMCLTVSIBFZ-UHFFFAOYSA-N 404.471 0.729 30 20 HCED COCCOc1ncccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481147466 ZHKPJJUTDVRNNQ-CQSZACIVSA-N 418.475 0.962 30 20 HCED C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1CO 498989394 FRGORIYUQOJDBD-WMZOPIPTSA-N 420.535 0.484 30 20 HCED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CCCS(=O)(=O)NC 507485431 MHDNVSRUFCXMNF-UHFFFAOYSA-N 414.509 0.756 30 20 HCED CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508349251 NAROBVZDWNGMPC-UHFFFAOYSA-N 413.438 0.152 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 510534516 QRAPSUFCTQHJPD-IFXJQAMLSA-N 420.491 0.744 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1 510585559 VDPGFZXHDIPVBT-SFHVURJKSA-N 408.524 0.917 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CCC#N)CC2)C[C@@H](C)O1 513112806 FQHWXRMNOSNMNZ-IYBDPMFKSA-N 415.560 0.998 30 20 HCED CNC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 516034677 BCUPVHCJPNMBST-QGZVFWFLSA-N 418.519 0.944 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 519126156 RAVVXXXDUQMFMX-RWQQGDIJSA-N 409.446 0.154 30 20 HCED C=CCN(C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)[C@@H]1CCS(=O)(=O)C1 519443856 IUQHCICKKRTGDM-OAHLLOKOSA-N 415.471 0.825 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 521311185 WEGPRGBERGHVSQ-CYBMUJFWSA-N 404.448 0.518 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)c1 536341853 ASXIPABGPGIEFR-UHFFFAOYSA-N 418.417 0.216 30 20 HCED CCOC(=O)c1cn(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 538831592 KQEFWUUQTMAYDE-UHFFFAOYSA-N 419.463 0.682 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 538905778 JLLOWDBGQLTPMF-CQSZACIVSA-N 419.449 0.975 30 20 HCED N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)n1 546176087 HZIORPHMDNPAJO-UHFFFAOYSA-N 412.431 0.819 30 20 HCED COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NCCn1cnc(C#N)n1)CC2 557640572 SVYOLGAMINLKDD-UHFFFAOYSA-N 412.450 0.648 30 20 HCED CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cccc(Br)c1C#N 557787760 USMZTODKBNWQLT-UHFFFAOYSA-N 402.270 0.800 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 558426086 QPPGVXGXIFMHPI-BXUZGUMPSA-N 400.482 0.528 30 20 HCED Cc1ncc2c(n1)CCN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 578358346 BYBQSJRELFWFSF-LJQANCHMSA-N 418.457 0.853 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c1C#N 580179214 JXFBFUGUOZQNNK-UHFFFAOYSA-N 416.467 0.227 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)n1 580605008 FTBOTCLUWLBPQI-AWEZNQCLSA-N 417.433 0.653 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN([C@H](C#N)C(C)C)CC2)c(=O)n(C)c1=O 599181651 KVOCMYIRIUQYKK-OAHLLOKOSA-N 404.515 0.134 30 20 HCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 608911264 WZIFTOKSBBUEBT-UHFFFAOYSA-N 410.499 0.137 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3F)c(=O)n2C)CC1 609350225 DXZKQDMVNZYBEK-UHFFFAOYSA-N 418.469 0.392 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 609411815 WYQURXYGGFDFFD-UHFFFAOYSA-N 422.488 0.957 30 20 HCED N#CCCn1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n1 609789908 KVHHYLBVTWLJJL-UHFFFAOYSA-N 402.436 0.170 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2C)CC1 674193546 ARHWUQJULNUKFH-UHFFFAOYSA-N 415.494 0.647 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccc4c(c3)OCCO4)c2=O)cn1 726786076 ZGVXQCMAZZOPME-UHFFFAOYSA-N 419.466 0.684 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)Nc2ccc(C)cc2)CC1 728536299 SVYYQFAJSYDUQT-UHFFFAOYSA-N 402.520 0.560 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 728571036 UNAGLLDVWBHAFR-DLBZAZTESA-N 416.522 0.637 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 729256918 MOIPRPZYWAGJGV-UHFFFAOYSA-N 418.519 0.124 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 730073698 ROGKBBDTVRDDBO-FJGOLAJPSA-N 419.463 0.189 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)c1 731126105 BBGLELITRYQTIZ-INIZCTEOSA-N 400.479 0.696 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 732418341 NQLSICBFAVHTKR-VHEBQXMUSA-N 411.418 0.984 30 20 HCED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1c(C)nc(O)nc1O 734751639 WBFVMKXUMQIWAY-UHFFFAOYSA-N 421.483 0.363 30 20 HCED CNS(=O)(=O)c1ccc(C)c(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 736988349 GJLTZOIRFIILCO-FOCLMDBBSA-N 407.452 0.551 30 20 HCED COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1c(C)noc1C)c1ccc(C#N)cc1 740195974 WUDOISJGNSNKKN-OAHLLOKOSA-N 407.404 0.899 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 741143418 SQGBJILDVHDSON-UHFFFAOYSA-N 410.477 0.092 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)C(=O)C1 741432212 ODVAPOKWKJPYTC-UHFFFAOYSA-N 422.463 0.442 30 20 HCED COC(=O)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(O)cc1 742251364 SSIGSRIQLSCEQS-ORIGZDJFSA-N 401.419 0.757 30 20 HCED C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(CNC(N)=O)cc1 744953484 XINWZSQGVSBGRA-LBPRGKRZSA-N 402.432 0.999 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cn1 746355166 UUWUMSWPHZICIL-UHFFFAOYSA-N 400.826 0.983 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cn1 746433461 XEIOHMIAVDGSLS-UHFFFAOYSA-N 412.425 0.788 30 20 HCED C[S@@](=O)CCN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 746466357 DFGNSPNBDBLDTP-MUUNZHRXSA-N 400.508 0.679 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)cc1 747271141 ZKCONGXOAMQQQZ-UHFFFAOYSA-N 409.370 0.957 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 749968056 FHFAXFRMNTZJKY-MAUKXSAKSA-N 405.480 0.296 30 20 HCED CCOC(=O)NCCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 751896719 CXSOBCZSLOZWBT-UHFFFAOYSA-N 407.427 0.573 30 20 HCED C#C[C@@H](CCC)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760528524 CLSVCDQXCBMXDJ-ZFWWWQNUSA-N 423.491 0.288 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)CC1 761030000 CCRHMNGLFPQLGE-FQEVSTJZSA-N 404.536 0.648 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1nnc(C2CC2)o1 767625296 ATHWNVRNZJSYPA-SNVBAGLBSA-N 419.419 0.667 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@H]2c2nccs2)c1=O 769797574 BVFSVSNHLDOGDX-ZDUSSCGKSA-N 407.521 0.748 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 770291646 FHVIHEWKFURWAF-HNNXBMFYSA-N 407.540 0.257 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CCCOC)CC2)c1 770311294 GWGSGOPHMQAMLM-UHFFFAOYSA-N 423.491 0.148 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N(C)C(C)(C)C#N)C1=O 771436257 JDNQGLFSWLERFX-FQEVSTJZSA-N 416.434 0.766 30 20 HCED Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccc(F)cc1 777319036 YQIRHEVJYNLATN-OAHLLOKOSA-N 404.423 0.899 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1 781401071 OTQBFHLBHPUXSQ-CJLVFECKSA-N 422.511 0.053 30 20 HCED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)cc21 782131625 QLOVZSYYUUNPFM-UHFFFAOYSA-N 408.418 0.678 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786999571 SSOJCMQQDLEBCM-FVJLSDCUSA-N 422.526 0.686 30 20 HCED Cc1nccn1-c1ccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cn1 787482628 UREAUHBAMRINTK-UHFFFAOYSA-N 404.434 0.687 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NOC[C@H]2CCOC2)c1 788345885 XAOCGZHBHIDWJR-JPDJOPTESA-N 424.479 0.522 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)n2)c1=O 790425181 SFZSAYPWENXGJU-UHFFFAOYSA-N 416.503 0.235 30 20 HCED COC[C@H]1CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 815813128 ATBFWYQSKGZHQX-HUSAPJIJSA-N 408.480 0.685 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CCCCC1 816019420 KHYOQDNWZUSRDZ-UHFFFAOYSA-N 404.448 0.902 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)cc2)c1=O 838168002 RWVGSGYDZKTNLZ-UHFFFAOYSA-N 415.515 0.840 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 916869992 BXGXXYCBMURRBK-ZDUSSCGKSA-N 422.235 0.907 30 20 HCED C[C@@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)O1 921172722 JGXCODPKFSNNBD-ZIAGYGMSSA-N 409.464 0.671 30 20 HCED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1109545571 CBOGBYSYDDRUHU-SRHAUSEGSA-N 403.523 0.960 30 20 HCED CN(C)CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1116255546 COYDPMDQZZWZKY-AEFFLSMTSA-N 418.519 0.488 30 20 HCED N#Cc1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)ccc1Br 1197339868 SMDZTEUVVPZBEH-UHFFFAOYSA-N 408.299 0.635 30 20 HCED CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1288191437 NTNAFOCOUXVISX-WBMJQRKESA-N 415.495 0.245 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1314872072 UPPBEIZILQBKRL-INIZCTEOSA-N 420.495 0.218 30 20 HCED C=CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)O 1344551732 FTOLDODSVNJXNV-HNNXBMFYSA-N 411.480 0.533 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)C1CC1 1360240077 ASSHSHYMHMEPHT-JXFKEZNVSA-N 401.515 0.754 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)c(Br)c1 1463961161 GNTULVNREIOWNB-CYBMUJFWSA-N 423.310 0.892 30 20 HCED CS(=O)(=O)NCCn1c(CCOc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1505152658 LZJHLFYPPULIEB-SFHVURJKSA-N 422.486 0.891 30 20 HCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)ncc1C#N 1563136678 TYIRIBKANHUYKB-GASCZTMLSA-N 422.511 0.765 30 20 HCED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CC(=O)N2CCOCC2)CC1 1611773407 MIFSUIUAUIGPQC-UHFFFAOYSA-N 415.498 0.389 30 20 HCED Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)c2cnn(C)c21 1618732220 RPULVOVPCMPFAO-QGZVFWFLSA-N 404.430 0.675 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)c(=O)nc1O 1621129721 YYSWCWXNFPHLGV-AWEZNQCLSA-N 401.810 0.786 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCc2nc(N)sc2C1 1627317645 XPJIWYOZNAYMGG-JQWIXIFHSA-N 405.505 0.937 30 20 HCED C[C@H]1CN(c2cccc(CN(C)c3[nH]c(=O)n(C)c(=O)c3C#N)c2)S(=O)(=O)C1 1642637464 GMLNLYVYKGDDCS-LBPRGKRZSA-N 403.464 0.368 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC[C@@H](CC#N)C2)c(O)nc1=O 1659395085 NVZHAXLHVWIREI-HNNXBMFYSA-N 420.514 0.936 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)CCO1 1663847764 JBUSKQVYLUOFLC-JKSUJKDBSA-N 400.501 0.933 30 20 HCED C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1692663509 LCHFKOZACJFHCK-OAHLLOKOSA-N 418.523 0.942 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(F)cc1 1692800761 LGFHFMFABWUSAG-XJKSGUPXSA-N 422.486 0.999 30 20 HCED CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709831900 WCYZDLDHWJJJCF-KRWDZBQOSA-N 411.514 0.771 30 20 HCED Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cn1 1729569052 ISVXOAHTSQWSHU-SFHVURJKSA-N 419.511 0.358 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1750970954 ZKFNYXVWNIXUQJ-KSSFIOAISA-N 407.544 0.582 30 20 HCED CCn1nc(C)cc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1777846165 XNJWEGAMVULSEP-OXQOHEQNSA-N 402.451 0.427 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1779103002 LTUXYGGWMXZIKU-MJWAHQGTSA-N 418.450 0.293 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779437725 KRFOWFPSGRVLDP-FQEVSTJZSA-N 403.458 0.946 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1781400106 LSTUZNJVXOAAJQ-YWZLYKJASA-N 404.467 0.961 30 20 HCED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1)C(F)(F)F 1781779430 GLYXFAZQMMVJFD-OGHNNQOOSA-N 403.401 0.755 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc(Cl)n1)C2 1782011249 RLTQFXFXGRGEKW-FOIQADDNSA-N 419.865 0.879 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1782013357 QJYQISOHQJEHSV-JTSKRJEESA-N 423.473 0.749 30 20 HCED Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cc4ccc(C#N)cc4)[C@H]3C2)n1 1783602893 GDNFNESIEUWXCG-BZSNNMDCSA-N 408.462 0.523 30 20 HCED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1784255720 ZTDZAOAFZUBIRK-HXUWFJFHSA-N 400.435 0.287 30 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C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1840292921 UNABCUOKNQETGP-OAQYLSRUSA-N 402.447 0.903 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463587 QETNUZDBSBOVAW-UZLBHIALSA-N 406.483 0.010 30 20 HCED CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820131 AMHIDFWHQYLFAF-NRFANRHFSA-N 415.446 0.373 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)CC#N)C2)C1 1842622699 NZASZWWXNWWODU-HUUCEWRRSA-N 406.483 0.721 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842885182 HQKQIMJYBDMAHY-ZUOKHONESA-N 420.514 0.142 30 20 HCED NC(=O)c1nccnc1C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283082 MMQXFLUWVGSPHJ-UHFFFAOYSA-N 411.462 0.091 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844286415 MEUCRJQVHMQISC-HOTGVXAUSA-N 410.467 0.258 30 20 HCED O=C1CCCCN1CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302652 HHABDQPWPRSOLD-MRUVXERFSA-N 406.483 0.731 30 20 HCED 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446737127 YUBGABSHJMRDQD-UHFFFAOYSA-N 424.505 0.780 30 20 HCED Cc1ccn(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(=O)c1C#N 460448104 GNBOPDVPTBRIOP-LJQANCHMSA-N 422.441 0.539 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(O[C@@H]2CCOC2)CC1 460693270 ANPJDKPVRGPWRC-QGZVFWFLSA-N 424.461 1.182 30 20 HCED COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)sc1S(N)(=O)=O 465265206 JPKQEPOESHUYJU-JTQLQIEISA-N 422.492 0.417 30 20 HCED C=C(C)Cn1c(SCC(=O)N2CC(=O)NC[C@@H]2C(=O)OC)nnc1-c1ccco1 468639498 RICNQHOEBWKWNM-GFCCVEGCSA-N 419.463 0.706 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(-n3nnnc3C)ccc2F)c1 471256140 DWYMHDUHNJLWTH-UHFFFAOYSA-N 411.353 0.569 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1c1ncc[nH]1 473099576 QCSHXKGKSVDASX-MRXNPFEDSA-N 419.449 0.706 30 20 HCED N#CCC1(O)CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 473386441 UCEYOCVZBSIURH-UHFFFAOYSA-N 402.270 0.604 30 20 HCED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 476056751 UWGORDMNLZTZCM-AWEZNQCLSA-N 419.507 0.422 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC(O)(CC#N)C2)cc1 476826450 REQDZNTWCMDWKO-RDJZCZTQSA-N 421.519 0.595 30 20 HCED CO[C@@H](C)c1noc(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 477287942 XOKMXFMNOYLVGY-LBPRGKRZSA-N 407.452 0.928 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 481252843 PBIHARIPUOBEJV-CZUORRHYSA-N 422.532 0.749 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)co1 486008920 QXRKCXNWEREHTA-OAHLLOKOSA-N 402.432 0.590 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 497327581 PHALWJBEWQLORR-OCCSQVGLSA-N 411.505 0.732 30 20 HCED Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)c1C 497859760 IBOKEQJPZNEZLT-SQNIBIBYSA-N 421.519 0.795 30 20 HCED COCCOc1c(Cl)cc(NC(=O)C(=O)NCC(=O)NCC#N)cc1Cl 508942467 QMMWFNSSYDXYRX-UHFFFAOYSA-N 403.222 0.713 30 20 HCED C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508955177 DHLDWTPRMTXOMW-XJKSGUPXSA-N 410.434 0.124 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(O)n2C[C@@H]2CCCO2)cc1 518155435 QXCMKLTYYKNXQX-AWEZNQCLSA-N 405.436 0.124 30 20 HCED COCCn1nc(C)c(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1C 533134115 DRMGIGJTHOKIJW-UHFFFAOYSA-N 411.466 0.700 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCO1 541968168 UBIOUNBQUTUSDZ-MRXNPFEDSA-N 409.402 0.657 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 542221095 QQDJAMKKNPFCPV-UHFFFAOYSA-N 404.835 0.906 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 549278574 BZNWCOXKVJMUER-CYBMUJFWSA-N 422.515 0.051 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 554677043 PNAHZUUKYJUZGC-QZTJIDSGSA-N 419.570 0.202 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 572739429 JPSJQVKRIDTFQK-UHFFFAOYSA-N 405.484 0.583 30 20 HCED N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 575070206 XQHAUKQCWGZERG-UHFFFAOYSA-N 403.464 0.501 30 20 HCED Cc1nnc([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 575211366 NRTLWJLVWXPBSR-ABAIWWIYSA-N 412.475 0.813 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)cc1 576984003 FJIHKKMOPGLWKD-UHFFFAOYSA-N 411.506 0.183 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)no1 578105088 JVSCTWVZTQQLAX-UHFFFAOYSA-N 421.454 1.080 30 20 HCED COc1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1OC 582918839 KMAVFVGXCJOAIW-UHFFFAOYSA-N 409.446 0.935 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@H](O)C(F)(F)F)cc1 583051354 KVCSJTLQCDEIAX-ZDUSSCGKSA-N 423.413 0.861 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 585725592 XXQPKBMMHXXBHV-QYZOEREBSA-N 409.490 0.518 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)nc1 586874881 YXHQAGRSIFCKNE-UHFFFAOYSA-N 420.473 0.496 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 603875990 LSKFIHKGHSMXFM-UHFFFAOYSA-N 407.473 0.437 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 603915921 QNMAVEFDCRMYOG-UHFFFAOYSA-N 411.509 0.740 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)nc1 608989978 ATGPEYGXJVIQSK-UHFFFAOYSA-N 415.475 0.765 30 20 HCED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 609088849 LCFRJGMJSDJJIG-UHFFFAOYSA-N 404.395 0.544 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(F)cc2F)c1=O 609563879 CKUFFTYUJYVBLO-UHFFFAOYSA-N 407.467 0.803 30 20 HCED C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 669816393 YKISPLOZDFZAIL-GJZGRUSLSA-N 414.532 0.087 30 20 HCED COCC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 726300522 LRFGWWYZLAGREF-JEEMYIIMSA-N 410.496 0.979 30 20 HCED CS(=O)(=O)CCCC(=O)[C@@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 731288343 QDKOMJYCYLSVCZ-SNVBAGLBSA-N 411.392 0.838 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 733364215 ACUVKJBHXOTYIX-QFIPXVFZSA-N 412.534 0.468 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 737250848 BMMTUYMSGOCTMI-UHFFFAOYSA-N 415.450 0.692 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCOC 743725229 JLPXCVUOPFLQDM-CQSZACIVSA-N 418.519 0.517 30 20 HCED N#CCN1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 744556436 AOUGQHDUKBZUAL-UHFFFAOYSA-N 401.492 0.515 30 20 HCED CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 749070851 ZTUDMSKOYQUKCF-OAHLLOKOSA-N 412.471 0.819 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cn1C 750619664 CTAJSWRMBRZNMK-SJKOYZFVSA-N 413.500 0.383 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2C2CC2)c1=O 751138549 LLZKDUWSSBAFGI-UHFFFAOYSA-N 414.512 0.363 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2C)c1=O 758061140 VYIHGPNVDSZANY-UHFFFAOYSA-N 420.538 0.519 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@]12CCCO2 759411098 BJWMPXWJSIUBHS-FRQCXROJSA-N 407.492 0.958 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 763349459 BGMBNIDVRGNWDO-IBGZPJMESA-N 412.490 0.681 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(C)C)nn1-c1ncccn1 768225009 BQWYFLGKURKEOH-UHFFFAOYSA-N 406.468 0.441 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c(F)cccc2N2CCCC2)c(=O)n(C)c1=O 771892380 QKUCWNQPVZYLCH-UHFFFAOYSA-N 409.443 0.136 30 20 HCED C#CCCN1CCN(c2ccc(S(=O)(=O)NCCCN(C)C)cc2[N+](=O)[O-])CC1 774529087 NCBOOZVRGODDDT-UHFFFAOYSA-N 423.539 0.970 30 20 HCED C#C[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 775374706 ILFHFDYHUCHKOI-OAHLLOKOSA-N 409.446 0.192 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CN3C(=O)c4ccccc4S3(=O)=O)nc12 782114682 PUJGUYLPKRHERG-UHFFFAOYSA-N 413.371 0.194 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[C@H]2CCOC2)c1 785150413 CUZGSKSANRILAO-KTNMXJNISA-N 422.507 0.981 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNc1ncccc1C#N 787760098 RXXQBLHKKXZRPN-UHFFFAOYSA-N 419.489 0.943 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1 787893171 HFRRVYKTPXWULJ-UHFFFAOYSA-N 423.311 0.905 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 790325370 MPCWMWKFQBUSBN-IRXDYDNUSA-N 424.542 0.753 30 20 HCED C[C@H](NC(=O)C#Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCS(=O)(=O)CC1 790582423 SNJRXBAOXXZKSM-LBPRGKRZSA-N 402.394 0.819 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 798589176 WMALJDCCUGGVQG-CZUORRHYSA-N 423.491 0.385 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 799284973 SIPCMSXCIMNRJG-LBPRGKRZSA-N 401.872 0.419 30 20 HCED CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccnn2CCCOC)c1=O 802722435 ZOJPBQAZKZDQJE-UHFFFAOYSA-N 401.492 0.596 30 20 HCED C#CCN(C(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)C1CCCC1 804081145 HWKLBULIMKAFGV-UHFFFAOYSA-N 411.506 0.641 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 804898703 OPHIKTRUPBMGCF-AWEZNQCLSA-N 404.433 0.765 30 20 HCED Cn1cc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 808662063 JLOQIAYPQZDOEQ-UHFFFAOYSA-N 411.378 0.440 30 20 HCED N#Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 808717258 ASOCIITZWJNXTQ-UHFFFAOYSA-N 402.432 0.992 30 20 HCED COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)CCc2c(C)nc(O)c(C#N)c2C)nn1 811182167 SPMKXUCBLMUCFQ-HZPDHXFCSA-N 415.406 0.770 30 20 HCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 812076104 ZEEJDWIKHFKRCF-HNNXBMFYSA-N 412.516 0.387 30 20 HCED C#CCN1CCN(C(=O)CN(CCC(=O)OC)S(=O)(=O)c2ccc(C)cc2)CC1 812306748 CWIONAVDXORAOF-UHFFFAOYSA-N 421.519 0.326 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 814547914 KCKWPMWMWFTULW-AWEZNQCLSA-N 416.434 0.413 30 20 HCED CCN(C(=O)CON=Cc1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 853721482 GKUVKJLHSYCYRI-SFHVURJKSA-N 409.508 0.909 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1C(=O)CCC1=O 916440808 UTHXIRKPLQKETD-FTRNENOISA-N 406.464 0.975 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 916893624 DWDZMGVWXFPRIU-CQSZACIVSA-N 407.386 0.602 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)[C@@H](C#N)C(=O)NC1CC1)n2C 916926865 ASBYQAVUHJYPAW-CQSZACIVSA-N 417.491 0.744 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)N(C)CCCC)CC2)c1=O 917480945 RHVMDHHSIQIPQH-UHFFFAOYSA-N 419.526 0.472 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 918613759 XAWXNELUULKRCX-NONDHBLVSA-N 407.452 0.426 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1Nc1cncc(C#N)n1 1052780763 RGMKJLANDWSHOA-JPZLZDEASA-N 405.462 0.912 30 20 HCED C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCN(CC(=O)NCC#N)CC2)O1 1111545890 RWVGKJLHFPEMEE-FWCYYJLNSA-N 402.495 0.131 30 20 HCED C#CCNC(=O)C1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 1116951630 LOKAAHDKGWDHRF-UHFFFAOYSA-N 402.480 0.027 30 20 HCED CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1305108957 XPTZJBUMNHKCKW-IAGOWNOFSA-N 422.555 0.641 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CO)(NCC2CC2)CC1 1306867357 MCMJERMNTCSPDU-OAHLLOKOSA-N 420.535 0.578 30 20 HCED C=CCN(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)[C@H]1CCS(=O)(=O)C1 1323198203 VMRRUBUHRXZSKX-HNNXBMFYSA-N 401.506 0.197 30 20 HCED COC(=O)C1(NS(=O)(=O)Cc2cc(C#N)ccc2F)CCS(=O)(=O)CC1 1325172922 IAXGIADCOZAWBB-UHFFFAOYSA-N 404.441 0.237 30 20 HCED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1342585667 YSAQDQGOOAQIAD-CYBMUJFWSA-N 420.413 0.571 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 1611768053 YSXAEEPHBDDDNK-MAUKXSAKSA-N 408.528 0.948 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)CCO1 1618690241 NFCNIKDHZHISIQ-DLBZAZTESA-N 414.466 0.429 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2C#N)CC1=O 1622465423 QARBAASOUGLZDW-QGZVFWFLSA-N 412.487 0.296 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1656498441 PVMOUGOUBURVMM-UHFFFAOYSA-N 420.516 0.977 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(O)CCSC1 1706850800 WTLQLNPHRKNIFS-SLEUVZQESA-N 402.546 0.495 30 20 HCED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)CC1=O 1767522332 XQSHKRWDBWSEGR-IBGZPJMESA-N 423.521 0.942 30 20 HCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1768451463 OSGBPRHILHKQAB-KRWDZBQOSA-N 409.450 0.936 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@]3(F)CCCCC3(F)F)C2)C1 1778222895 LXIFDELKRXWRGV-DLBZAZTESA-N 402.369 0.822 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1778934143 SDIKVVDTQHIUNI-VFNWGFHPSA-N 413.430 0.168 30 20 HCED Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1779102509 ZLVSJJQRFJKFSK-XVSPKSMYSA-N 405.455 0.393 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1780101871 POFYDMBUEPYCAY-XZEIMLRBSA-N 412.446 0.541 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnn4ncccc24)CCO3)c1 1780334900 PWRZQDIKGIUMNF-HXUWFJFHSA-N 405.418 0.686 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nn[nH]c4C(F)(F)F)C3)C2)c1 1780363043 ZPRMDTKCNHZBBE-MRXNPFEDSA-N 423.355 0.781 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697934 BVOKXWRJXRHVSP-LEWJYISDSA-N 415.446 0.618 30 20 HCED 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CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846485595 HNCHBLZBEHPVGX-CYBMUJFWSA-N 419.434 0.204 30 20 HCED Cc1cn(CC(=O)N2CCCC23CN(C(=O)c2ccc(C#N)cc2)C3)c(=O)nc1O 1846969991 ODZVKAHRVJPGNJ-UHFFFAOYSA-N 407.430 0.646 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(OC(F)F)cc2)c1=O 29494879 ZLLGRMDTYYLWAH-UHFFFAOYSA-N 422.388 0.462 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCOCC2)c1=O 31447829 NYLGYZLJMPKABR-UHFFFAOYSA-N 411.462 0.050 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1=O 42154931 XJHLXKCKWCGSID-UHFFFAOYSA-N 415.881 0.899 30 20 HCED C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 432125173 FQYIXGWCVFOVGE-AWEZNQCLSA-N 408.480 0.186 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 437760932 RENTVLXKUWUZDH-PBHICJAKSA-N 411.528 0.854 30 20 HCED COc1cc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1C#N 442803362 SPTJOTPBMGNKMO-UHFFFAOYSA-N 404.448 0.765 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)nn1CCC#N 443666841 VGDVJRGBNSJGBC-INIZCTEOSA-N 400.483 1.484 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 447197729 BLOOOZMKJCWSOK-UHFFFAOYSA-N 402.542 0.191 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cn(C)nc3C(F)(F)F)CC2)c1C#N 447216067 FCJATJQQGVZNMJ-UHFFFAOYSA-N 424.387 0.640 30 20 HCED COC(=O)C(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 465005294 FYTAKXCGENCZRU-UHFFFAOYSA-N 408.480 0.773 30 20 HCED N#CCN(C(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O)c1ccccc1 477625590 DFWMYJPSCFJDLB-UHFFFAOYSA-N 413.434 0.056 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 482202279 BUPZJHGOIRSJBI-AWEZNQCLSA-N 402.480 0.293 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 482573166 GSYDWGCIOQPKCE-CYBMUJFWSA-N 412.368 0.820 30 20 HCED COCCC(=O)N1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 489019205 UTERVBIPOVJZNV-UHFFFAOYSA-N 422.507 0.322 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F 489249882 HZSWIJJPCFPBGV-ZDUSSCGKSA-N 405.473 0.464 30 20 HCED N#CCCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Cc1ccccn1 494561168 ICIFQXAVXRLYMO-MOPGFXCFSA-N 420.535 0.992 30 20 HCED CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H](C)CS(C)(=O)=O 497047877 MMCMAVDXHQMQCS-CYBMUJFWSA-N 401.510 0.692 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)C1CC1 497491842 GNSQWESHHSUBNZ-LJQANCHMSA-N 416.507 0.678 30 20 HCED CN(C)S(=O)(=O)CCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 497636818 OAUNLLHHDPUGDL-UHFFFAOYSA-N 422.486 0.796 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCOC2)c1=O 505660065 JBYIUUPWZDRENU-CQSZACIVSA-N 400.504 0.716 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1S(=O)(=O)NC1CC1 506545312 ADMATGMYCUKUHM-UHFFFAOYSA-N 424.454 0.929 30 20 HCED CN(CC(=O)N1CCN(c2cccnn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 506558372 STGQPFXIXCXZEU-UHFFFAOYSA-N 400.464 0.318 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H](C)N1CCOCC1 514306710 IYRPPECIEMXBHV-HZPDHXFCSA-N 417.485 0.571 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 516446947 CRGILEBEQMQFLR-UHFFFAOYSA-N 405.842 0.346 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)cn1 524275490 GHIKAIZPPSNCJN-UHFFFAOYSA-N 424.486 0.064 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(N)(=O)=O)s1 531800151 LHNSBVMGWFXIQE-NSHDSACASA-N 406.493 0.337 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC[C@H](C)C#N)CC2)cc1 531964306 SEWPGYYQBJJWLR-OAHLLOKOSA-N 422.507 0.584 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1=O 543018390 PMGJCIXMNGNBCM-UHFFFAOYSA-N 418.816 0.965 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1 548781274 JCLWLNQXEJWRLR-UHFFFAOYSA-N 410.478 0.882 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 556224926 VYSGGWYTZGDPNX-MRXNPFEDSA-N 420.510 0.925 30 20 HCED C=CCN(CC(=O)NCC(=O)Nc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 557662820 RKCHOUNFWSLQGU-HNNXBMFYSA-N 409.508 0.733 30 20 HCED CN(CC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)S(=O)(=O)c1ccc(C#N)cc1 560898528 DZGZIFMDVGHORE-NSHGMRRFSA-N 421.519 0.957 30 20 HCED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 564071383 UQPZYZDMPCPZJA-IERDGZPVSA-N 412.446 0.187 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)C2=O)cc1 571436976 DFYMQGLBIBBIPG-PKOBYXMFSA-N 410.474 0.803 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCC(N)=O)Cc2ccccc2)cc1 572747510 QSPCFIFZLIIMLJ-UHFFFAOYSA-N 400.460 0.741 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc1 577071527 UDCSTGTXKAUPSC-JKSUJKDBSA-N 413.521 0.395 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccco3)C2=O)cc1 588869082 XEDWFFMTMSRILH-ROUUACIJSA-N 422.441 0.968 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 590277840 DWEJZGLROXRKJC-SJCJKPOMSA-N 422.367 1.348 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCCOCC 590903492 CQSSNZMPWPRVLC-UHFFFAOYSA-N 418.544 0.907 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603661909 RBQNVXCLCBUAGZ-DNVCBOLYSA-N 407.540 0.899 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 728532566 BZJPEPWUDHMDMS-UHFFFAOYSA-N 421.501 0.630 30 20 HCED C#CCN1CCC[C@H]1COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 729812281 QUVNAIBLIRYWNK-NSHDSACASA-N 408.256 0.533 30 20 HCED CCC(CC)[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1CCOCC1 732444220 JGGXAYOKKHHSHT-NXDJFEHLSA-N 407.515 0.949 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)/C(C)=C\CC)CC1 733148575 CTUJTIROJFITBF-UGIZUQJLSA-N 406.552 0.528 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 733149771 QPDVXWIAFGZOPN-UHFFFAOYSA-N 424.461 0.893 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 733804412 CUJBSFFSCQGTOQ-HZPDHXFCSA-N 422.507 0.860 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1ccc(C(=O)NCC(N)=O)cc1 734720556 XKJHFUOCLNEGLY-UHFFFAOYSA-N 420.429 0.971 30 20 HCED CCc1nnnn1-c1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 736218412 MEXXQXCMIZDSER-UHFFFAOYSA-N 411.447 0.902 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(CCC(C)C)nn3)CC2)o1 740990100 RPXIUCSDXNIVGX-UHFFFAOYSA-N 415.454 0.998 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cn1 746415526 XIXAZIADQURNST-ZDUSSCGKSA-N 405.798 0.620 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cnn(CC#N)c2)o1 747433875 XOPUSMXEBAPGGP-ZDUSSCGKSA-N 421.435 0.968 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCN1CC2 747527405 TWQBTJNWIPHQLK-MRXNPFEDSA-N 419.551 0.402 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CC)C3=O)CC1 747737627 WUEUMZOCRBIRJS-UHFFFAOYSA-N 403.460 0.453 30 20 HCED C#CC[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 757258002 GQONQBGUNXGYOS-SFHVURJKSA-N 409.446 0.561 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC1 757845280 SCNDUACRAUATJP-UHFFFAOYSA-N 420.491 0.009 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758756257 XJRJGOUBVAJHQK-HZSPNIEDSA-N 415.516 0.469 30 20 HCED COCC(=O)N(C)CC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 759232975 WXJDVKZDOPWDEZ-INIZCTEOSA-N 412.450 0.385 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(OCCC)cc2)CC1 761036838 FAYZIYUNESGHMY-UHFFFAOYSA-N 408.524 0.177 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 762706001 JJAGBBLINQTEKO-OAHLLOKOSA-N 411.418 0.879 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2CC(N)=O)cc1 764998084 PIRCVIPXLFWUSU-UHFFFAOYSA-N 406.467 0.428 30 20 HCED Cc1oc(NC(=O)COC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c(C#N)c1C 766989541 VEUMHJPHRGDIDV-UHFFFAOYSA-N 408.411 0.891 30 20 HCED COCCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2ccnn2C)c1=O 767881357 UTOFRUAVLBNWFS-UHFFFAOYSA-N 400.504 0.942 30 20 HCED C#CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 768873127 QYMZHNDVWKCKKB-UHFFFAOYSA-N 403.460 0.897 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 769215675 KFOMPRLFQBRYDX-ACJLOTCBSA-N 406.464 0.823 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccc(S(C)(=O)=O)s1)c1cc[nH]n1 772641603 SYWWHGBODPUHLE-UHFFFAOYSA-N 414.465 0.475 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 776123200 YXVMKTIRTQXNGN-UHFFFAOYSA-N 419.456 0.210 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778817614 CLHDIYMHETWNLT-HNNXBMFYSA-N 417.447 0.309 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 780658388 HSNRJMGQXYGLQK-UHFFFAOYSA-N 408.466 0.612 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 783480106 IILIZYBAPMPUQH-INIZCTEOSA-N 400.460 0.768 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)[C@H]1CCS(=O)(=O)C1 783482630 YWSPNJBZOXJBFR-RDJZCZTQSA-N 406.460 0.442 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 785164457 IHAOKMZHZLSERA-UHFFFAOYSA-N 411.480 0.477 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C#N)COC)CC2)o1 785173083 RBOSPTKYTZJCFN-CYBMUJFWSA-N 414.436 0.939 30 20 HCED CCOC(CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)OCC 786768842 LDKHNUBKNOBQJQ-UHFFFAOYSA-N 406.487 0.154 30 20 HCED COCCN1C[C@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CC1=O 791171277 OAPBTSLTYASDLW-LLVKDONJSA-N 411.256 0.664 30 20 HCED COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N(C)[C@H](C)CC#N 796240852 DQYUEQSVSQJBKN-ZIAGYGMSSA-N 418.516 0.950 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)N(C)C[C@H](C)C#N)cc1 800078628 DMDXFTZYHDXSSH-CYBMUJFWSA-N 417.509 0.200 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)CNS(=O)(=O)c3ccccc3N)C2=O)cc1 800234862 DVRUJVTWZIUAFZ-INIZCTEOSA-N 414.443 0.767 30 20 HCED C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2)CC1 802310318 ZONFHBBOFFNXFS-QGZVFWFLSA-N 416.551 0.886 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)c2cccc(Br)c2)C1=O 802318980 YEBXVXPXDPCROQ-GFCCVEGCSA-N 410.224 0.576 30 20 HCED C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC)CC1 802340456 MBFKTROSDHMZLC-UHFFFAOYSA-N 403.508 0.750 30 20 HCED NC(=O)Cc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 810748950 QTQJTEOQBXQBBG-UHFFFAOYSA-N 400.460 0.459 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1 810778241 ZDTAOTCUWAOUBC-UHFFFAOYSA-N 402.494 0.809 30 20 HCED C#CCCS(=O)(=O)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1 810779309 HTFKZZHQLZMASZ-UHFFFAOYSA-N 412.533 0.839 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2cccnc2)CC1 811477549 VJLAYKVQKOCYJJ-UHFFFAOYSA-N 413.503 0.855 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811678247 BNDKNPAPZQKHQW-OLZOCXBDSA-N 411.480 0.289 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCN(O)C3=O)c2)C[C@@H](C)O1 816755040 RSOQWXWSACVNIU-DVOMOZLQSA-N 411.480 0.595 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 816994427 SKYFVYMDWIAKGL-UHFFFAOYSA-N 410.459 0.341 30 20 HCED C[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1ccccc1C#N 844202484 LBOWZKKHYJYVHZ-LLVKDONJSA-N 401.404 0.398 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 912685205 YFXHLOHKMURUAE-UHFFFAOYSA-N 423.491 0.389 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2C)c1=O 914565115 UBYPNOQAQDUEDH-UHFFFAOYSA-N 409.471 0.431 30 20 HCED N#Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919986277 FQQKCPVQYBZAIH-RTRPANQVSA-N 423.516 0.233 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccccc2OCC#N)CC1 920413209 JADLOZFKXRTDAH-UHFFFAOYSA-N 416.478 0.805 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1079141883 DLEFHXQXHMMRIT-QKDSSNGWSA-N 402.491 0.668 30 20 HCED C#CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC12CCOCC2 1186425476 TVOCAXYGPYGMIU-SGTQZHETSA-N 401.507 0.004 30 20 HCED CNC(=O)c1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1299053864 WRNPLGOPKNQOJP-MRXNPFEDSA-N 411.466 0.553 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCOCC1 1301810254 UTCDKZKPVFQQFA-MRXNPFEDSA-N 406.487 0.745 30 20 HCED C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(C)(=O)=O 1301974580 QRBVPDRZULEEBB-CQSZACIVSA-N 416.511 0.662 30 20 HCED 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1837279831 UAZMINPMBMAESG-ONZODILHSA-N 401.507 0.196 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837964667 NZHDZLHVUDYTMQ-FOIQADDNSA-N 408.451 0.433 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)nc1 1838734566 CAFHNVKLQAUASF-OAQYLSRUSA-N 409.446 0.974 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccccc4)C3)C2)c1 1838735151 XILFGGHVPIGCAC-KNQAVFIVSA-N 424.457 0.690 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838831813 HPCSYZAECFIPOX-YWZLYKJASA-N 422.482 0.090 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952794 INUZMDXFDUTDNF-VGSWGCGISA-N 414.506 0.968 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)F)C2)C1 1839174496 GLOAZMFFJWPIPX-IBGZPJMESA-N 400.447 0.700 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839222603 SMURWCNYDGHWTF-PXNSSMCTSA-N 410.515 0.340 30 20 HCED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839419919 BUXKMEUUGPPPTA-FQEVSTJZSA-N 404.442 0.329 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839841446 RRSQOENZSAQLPO-BFUOFWGJSA-N 406.439 0.170 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840161185 HFTRESNLUQQCAJ-XIKOKIGWSA-N 405.480 0.346 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840163209 FIWVKWKWZGJATI-VHFSOBRXSA-N 405.520 0.798 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840172080 PVKVGONESFYDGD-NRFANRHFSA-N 411.462 0.913 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1840294540 KKBSPKVFXBSAAX-SIKLNZKXSA-N 405.539 0.978 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)cc1 1840538510 JTAPRXIBGYHOMI-KNQAVFIVSA-N 413.474 0.859 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840567350 OJIUDABXDQMHKE-SFHVURJKSA-N 403.470 0.994 30 20 HCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841235650 AKJVANDKOHGPRP-MRXNPFEDSA-N 417.462 0.372 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c1 1842564076 LXIBRVXHNXCEQA-UHFFFAOYSA-N 404.430 0.629 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccco2)C1 1843078793 CZSMLJDCWWIJNK-UHFFFAOYSA-N 403.435 0.722 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)C2)C3)c(C(F)(F)F)n1 1843169722 VQCMWQPWRHYELK-NSHDSACASA-N 421.379 0.925 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1845188889 STBKXVXZDZRNBV-UHFFFAOYSA-N 418.538 0.479 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846127473 CFMFHGUHMZDMAQ-SPLOXXLWSA-N 417.462 0.535 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(Br)c1 21947692 ZORKGVKCWIHMRF-SNVBAGLBSA-N 403.254 0.409 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 24974564 NALJZSWOGQXDPD-ZDUSSCGKSA-N 415.402 0.630 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 31806274 SUOCKOWWTVNVMW-UHFFFAOYSA-N 404.404 0.101 30 20 HCED COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)N1CCO[C@H](C#N)C1 409482069 DYVYIXMVIOOOSX-CZUORRHYSA-N 410.427 0.450 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 410117029 LLIXLXDXVZLNBO-AWEZNQCLSA-N 418.541 0.694 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433897417 OEEOFJGPLIPNDK-AWEZNQCLSA-N 419.457 0.321 30 20 HCED CC1(C)CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@H]1C#N 434027969 OOERCZGZMTVFOI-INIZCTEOSA-N 404.492 0.961 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)n1 439047510 QAVDFAQZFJFICX-KRWDZBQOSA-N 408.462 1.280 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 445937316 ITWWZPJDWFIIRX-UHFFFAOYSA-N 408.524 0.986 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472209537 XCDBPVZQHLKKNS-UHFFFAOYSA-N 403.464 0.898 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC(F)F)cc1 472878118 MYGNGHVLSMOTBO-UHFFFAOYSA-N 405.423 0.830 30 20 HCED Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1C#N 474200215 WHDJJZHFROBWDS-UHFFFAOYSA-N 417.447 0.210 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 475774249 BBTBONKKELQMEK-ZDUSSCGKSA-N 421.928 0.978 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3ccccc3C#N)CC2)cn1 476080390 OHFVKJXZAKLANJ-UHFFFAOYSA-N 411.466 0.871 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCSCC1 479372166 DMXQDQHTWJRLCK-OAHLLOKOSA-N 408.549 0.828 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1CCN(CCN(C)C)CC1 482160477 AOPZNVSSIORFRM-INIZCTEOSA-N 421.567 0.615 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 482841582 GYISTPMCXOWWCJ-RDJZCZTQSA-N 406.508 0.406 30 20 HCED C=CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 486375565 NHEPFCJRLXEXKO-LBPRGKRZSA-N 405.473 0.941 30 20 HCED COC[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 495946604 HEUBGSALFZNTKQ-DLBZAZTESA-N 410.430 0.872 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](OCC)C23CCCC3)CC1 503807796 BHOPEUHFORIZER-IRXDYDNUSA-N 406.527 0.287 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CS(=O)(=O)CCO3)C2=O)cc1 504411505 PMAGVKNJTPBTCA-JKSUJKDBSA-N 406.464 0.166 30 20 HCED C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508888876 PWYSJMQSGWFJQL-UHFFFAOYSA-N 420.495 0.619 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 509205698 NENAEJPZNBJLAF-XJKSGUPXSA-N 413.931 0.963 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 509972180 NALINICTVLLACX-OAHLLOKOSA-N 400.526 0.862 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 518077689 MXBDDFDOOFYVOW-UHFFFAOYSA-N 406.446 0.942 30 20 HCED C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 520669332 OTLCAVSGGMJFMG-GJZGRUSLSA-N 409.450 0.399 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)c1 527030671 IPEQAIMJTBFMRX-OAHLLOKOSA-N 411.483 0.202 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCS(=O)(=O)C1 543011394 ANABXPUSORGXLB-LBPRGKRZSA-N 421.866 0.981 30 20 HCED Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 543928194 LQWWMJUKSQPHMZ-AWEZNQCLSA-N 413.825 0.919 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545494005 QOPNIIJPJGBNDM-UHFFFAOYSA-N 413.459 0.644 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 547417241 RTEKNLXVPITCLC-UHFFFAOYSA-N 413.434 0.876 30 20 HCED N#Cc1ncn(CCNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)n1 553165343 VMVFDPAJHABHKZ-KDOFPFPSSA-N 400.439 0.996 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCn2cnc(C#N)n2)s1 553358763 NGSODELCSGKNPS-UHFFFAOYSA-N 411.513 0.741 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 561755332 BBXIFMIFRNEJLF-XLAORIBOSA-N 406.442 0.440 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)n1 564467324 CWONNAGGPWQNHB-HNNXBMFYSA-N 409.450 0.401 30 20 HCED CN(CC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1)S(=O)(=O)c1ccc(C#N)cc1 567075627 YRALNHJTGNZPTJ-SFHVURJKSA-N 418.519 0.942 30 20 HCED CSc1nnc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 571006202 PWAZCXGDAIEBSZ-UHFFFAOYSA-N 420.524 0.139 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)n1 577565049 HRINEMMIHBJDCD-CQSZACIVSA-N 415.413 0.999 30 20 HCED Cc1nccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 579656193 DHTUDQNSQGYYON-UHFFFAOYSA-N 400.464 0.284 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)N1CC(C#N)C1)c(=O)n2Cc1ccccc1 590486471 YBADLCVNVKIMQK-UHFFFAOYSA-N 422.445 0.036 30 20 HCED N#CCCCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 604163004 RZFWVKYOSAQOGO-UHFFFAOYSA-N 413.478 0.730 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCO1 606093408 FBNOMKYNWQCXPR-FQEVSTJZSA-N 406.442 0.783 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609146911 DVAORCYAKJOVHR-UHFFFAOYSA-N 410.500 0.585 30 20 HCED C=CCc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 613740537 GOCWWOQPSSEAJK-OAHLLOKOSA-N 410.492 0.808 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)OCCCO2 615049654 LUZNZWDRCIWRIW-UHFFFAOYSA-N 402.451 0.861 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cn2)c1 615391493 NHQBNXZPSPZZAG-HNNXBMFYSA-N 420.385 0.447 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 615629482 MAJUPNHNGVUZAC-IBGZPJMESA-N 404.398 0.327 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1Cc1ccon1 618641974 GAGZAPKTMMSUNS-UHFFFAOYSA-N 406.876 0.910 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 728533298 GBUSQVCXBVYAKR-IBGZPJMESA-N 410.518 0.858 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 729257238 XMVVOKXUPCPWDC-UHFFFAOYSA-N 404.423 0.509 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnc(C)s2)c1=O 732664279 MSGKIOBYELWRPU-UHFFFAOYSA-N 418.569 0.939 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)CC1 733149322 FLAJWVYUTBUUQR-OAHLLOKOSA-N 404.898 0.742 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(C(N)=O)cc2)CC1 734751385 SMHOSSXHXFNRDH-UHFFFAOYSA-N 402.480 0.563 30 20 HCED C[C@H](CC(=O)Nc1ccn(CC(=O)N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 742611982 FXFGUVGRSDXBRX-GFCCVEGCSA-N 418.479 0.427 30 20 HCED C[C@@H](CCN(C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 744908262 SGJNLMSPFBMWMQ-KTNMXJNISA-N 423.539 0.894 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1 746013127 LJTLPYIXGMXMQS-IBGZPJMESA-N 418.475 0.048 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CN2CCN1CC2 747527337 SIGCDEVYFUBMPL-RDJZCZTQSA-N 419.551 0.400 30 20 HCED COC(=O)c1cccc(COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1C#N 756140261 OQWSHYMSEOTXHL-UHFFFAOYSA-N 401.400 0.886 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC(F)(F)F)cc2)c1=O 758077995 WMXMBOMZEJLRIW-UHFFFAOYSA-N 421.400 0.733 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2(C)OCCO2)cc1 759433312 JVLKHENYSMULBQ-UHFFFAOYSA-N 411.480 0.701 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](Cc2ccc(Cl)cc2)C(=O)OC)C1=O 759508623 ZFBXGBGBSATKPV-CYBMUJFWSA-N 408.794 0.944 30 20 HCED C#CCN1CCN(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3c(=O)n2C)CC1 762484411 MHLLLDNWMCGWKD-UHFFFAOYSA-N 401.448 0.711 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)C1=O 763742513 UQPSFKGMBDAUCL-HZPDHXFCSA-N 401.419 0.314 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)cn1C 765779562 KDHWCFNRGUBTCG-UHFFFAOYSA-N 417.491 0.707 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1 783344092 CAMCWRDEUHFVCT-UHFFFAOYSA-N 406.464 0.596 30 20 HCED CCN1CCC[C@H]1CN1C[C@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1=O 785654386 PWYQHHONMORNNE-CJNGLKHVSA-N 412.450 0.683 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)n1 789793366 JOJVASVKBPJACZ-UHFFFAOYSA-N 417.491 0.553 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798567273 XKDOKMWITWQCNI-OAHLLOKOSA-N 412.439 0.790 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)cc1 800629269 CSWRTCIKYVSVJK-UHFFFAOYSA-N 408.414 0.752 30 20 HCED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 802323664 LKNLMVOQMOVHQD-ORIGZDJFSA-N 420.491 0.776 30 20 HCED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)NCC(=O)NCC#N)cn2)CC1 806446090 HCVHLYHGHKXQFO-UHFFFAOYSA-N 418.458 0.295 30 20 HCED C=C(CNC(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O)c1ccccc1 807489706 VSZRIAZPPBIRIB-UHFFFAOYSA-N 403.460 0.661 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 808957082 ALUXEYGWBORRFQ-UHFFFAOYSA-N 417.443 0.610 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 810785991 WIGJXRPAMXJSLT-UHFFFAOYSA-N 402.494 0.809 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 918391845 OWNRPWXFJRQMTE-UHFFFAOYSA-N 409.471 0.827 30 20 HCED CC1(C)NC(=O)N(CCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1=O 918817089 HQKMLJVVWLJWKY-UHFFFAOYSA-N 408.436 0.100 30 20 HCED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 996882328 ZOXKLJLPDBPIGI-ANPSJLJUSA-N 415.494 0.767 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 1116318428 IHTFCIIGWNCHHT-YOEHRIQHSA-N 422.489 0.796 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[C@@](O)(CC#N)C2)cc1 1183762596 AEVJKBUKFDOFLN-IBGZPJMESA-N 422.507 0.324 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1286631087 YPGSJYUSRZJKSR-RYUDHWBXSA-N 420.923 0.064 30 20 HCED N#Cc1cn(CC(=O)N2CCN(CCOc3ccccc3Cl)CC2)c(=O)nc1O 1290442738 KZXDJCKFFLRSEJ-UHFFFAOYSA-N 417.853 0.697 30 20 HCED CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1297990942 UBYPTHVGXWJXQH-OAHLLOKOSA-N 408.528 0.789 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1316532648 SCSOTFXRTGTTAG-QZTJIDSGSA-N 420.470 0.255 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)N3CCC(C(=O)NCCCO)CC3)CC2)nc1 1318228645 QNGPJQSWWQWQFH-UHFFFAOYSA-N 414.510 0.842 30 20 HCED C=CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)OCC 1320134632 YXIQQPBXEMIHCX-HNNXBMFYSA-N 411.480 0.408 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1468254157 KPQURTQHGPVKIP-MLGOLLRUSA-N 411.505 0.261 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCCC(=O)Nc1ccccc1C#N 1541066359 XUADBHLEDHXFLP-HNNXBMFYSA-N 420.491 0.429 30 20 HCED CO[C@]1(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)CCOC1 1554710881 IJQBOLKKDVLDEO-IBGZPJMESA-N 400.487 0.632 30 20 HCED CC(C)(C)OC(=O)Cn1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1570732780 ZRJOUESHQFPJHX-UHFFFAOYSA-N 419.463 0.902 30 20 HCED Cc1ccc(N(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)[C@H]2C=CS(=O)(=O)C2)cc1C 1641220419 VYPWFAULZMBLFW-INIZCTEOSA-N 414.443 0.369 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](CS(N)(=O)=O)C2)CC1 1655770909 SLDBFOSDGRUTQN-QAPCUYQASA-N 423.514 0.145 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1711352300 RNHRTQNCXCYMJJ-UHFFFAOYSA-N 405.466 0.956 30 20 HCED COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1730610409 JAHXPKXJNRVRQX-KRWDZBQOSA-N 414.466 0.669 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1750079071 MQDPSOGBJMGFPP-AWEZNQCLSA-N 409.516 0.032 30 20 HCED Cn1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779104858 OVCPIMUUNOSZNU-LAAGDHCCSA-N 419.482 0.322 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)C1CC1)C2 1779360657 IVWWVAKGNHBERR-JPFMVSBKSA-N 404.511 0.951 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1779381795 DVNSXLQSHRIILF-LJQANCHMSA-N 410.390 0.947 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779917177 BRQFDMBYSJBRQO-OAQYLSRUSA-N 414.462 0.324 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1Cl 1780190232 QTOKDIXICQUHGY-LJQANCHMSA-N 415.837 0.531 30 20 HCED COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780332429 YBZJKVAEWKPJEP-OAQYLSRUSA-N 409.446 0.976 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)ccc1F 1781300251 OWEDTRVRHKVSQZ-HXUWFJFHSA-N 402.426 0.335 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2 1781488806 CMIFRGNTESVJRZ-LUQKVYGDSA-N 413.478 0.627 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnccc1Cl)C2 1782013293 AOGCNOPZRHKWSJ-DNVCBOLYSA-N 405.838 0.951 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1783562952 LFNSCCWJIXEJRB-SFHVURJKSA-N 405.338 0.265 30 20 HCED COc1ccccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1784265865 MJAOJPMBYRWKMU-LNLFQRSKSA-N 414.458 0.696 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3nccs3)C[C@@H]21 1784482887 UKYSEDXRZPOOOI-WOYTXXSLSA-N 420.535 0.962 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1784541326 IVDFFNGGOORTOE-ZGDBRWAVSA-N 416.540 0.536 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1785381760 DUGZDBQKOUJSJB-CIBWYJFOSA-N 411.458 0.659 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787081072 YCMVBYRGICIOCS-DNUAJFIVSA-N 423.535 0.944 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCSC(=N)N)C[C@@H]32)c1 1789344089 KRLKHIOQICWHJG-YDHLFZDLSA-N 404.496 0.496 30 20 HCED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1790867776 COIQTXARLLTAIX-SXNHZJKMSA-N 416.453 0.815 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1OC)C2 1792485177 FKCTUPYMBFOIOT-GZHYHUHOSA-N 414.462 0.152 30 20 HCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)cc1 1793164563 GSNCILBMWZEJLU-IZZQQSIFSA-N 412.446 0.408 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](NC(C)=O)C(C)(C)C 1793193312 WFBWSXCTQHMGGG-CWQOZTLDSA-N 423.554 0.700 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1793344205 DLNQJNSCHGKTQP-YFKTTZPYSA-N 415.372 0.065 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C(C)(C)C)nn1)C2 1793358534 KZCIHTDJDJSGMP-PNBKFKSVSA-N 405.499 0.827 30 20 HCED CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)C#N)C3)cc1C(=O)O 1794432130 NYMZRJWYEHVZIB-YWVIFJGQSA-N 417.466 0.915 30 20 HCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)c(Cl)c1 1795893783 MOTCTYJSWXSGTQ-ZSBFGKGUSA-N 414.853 0.707 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1797694982 NTKUCPLYFZMAJN-UXXRCYHCSA-N 400.545 0.238 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1797713262 KPQBJPAYBDEOCY-YYIAUSFCSA-N 413.478 0.734 30 20 HCED Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c(O)n1 1797741124 CWXRSZBPTFOPSK-UFVVLBOUSA-N 415.494 0.771 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781136 YPSPEKTZIMOJGW-VBYALHQYSA-N 406.523 0.682 30 20 HCED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797836863 FZWSIMKLMAUJSY-ZPCIEXNKSA-N 404.467 0.203 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOC1=O)C2 1799391973 XLFCMMAHRHBQCF-PNBKFKSVSA-N 410.471 0.219 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2c1NC(=O)C2 1800027879 DMZKDFZPABOFBG-JNNRSPCRSA-N 411.458 0.423 30 20 HCED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1800541023 UJPACMNVWYCOHF-CCWDJLKJSA-N 402.426 0.427 30 20 HCED CCSc1cccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800777776 ACROKFLUBKKNQW-FVCICTRLSA-N 403.460 0.485 30 20 HCED COc1ccc(/C=C(\C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800778891 JJHHMWOGUHCZEV-DWSNTNAQSA-N 412.442 0.776 30 20 HCED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800952950 MTUSYYGDZVESEM-QEOTZNIISA-N 403.479 0.881 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801442359 VBBWNCVTNWLXOJ-HGKCTWBKSA-N 403.479 0.780 30 20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(C(=O)OCC)CC1)C2 1802025190 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HQSDIEDHCLYKCS-JOCHJYFZSA-N 421.457 0.661 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc4ccccn34)CCO2)C1 1830667244 PUORFZSQSQTWBZ-QRWLVFNGSA-N 418.519 0.652 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)C1 1830708771 LNKCNGSKXCMQLC-GCKMJXCFSA-N 419.478 0.336 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1831391586 SFEIRNKQKLPODE-JUXOCIIHSA-N 416.474 0.215 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1831427283 TVOPFNTVLQYKQW-IERDGZPVSA-N 420.510 0.644 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1832000538 SIKAQTOYJVCEMT-KKSFZXQISA-N 421.494 0.545 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1832454381 LMKWSKDPOMXLAV-LJQANCHMSA-N 423.491 0.075 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832664134 LVOOBERWHAFXFH-HRAATJIYSA-N 420.462 0.492 30 20 HCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)s1 1833019071 QJQONEKVHGWERX-IBGZPJMESA-N 419.507 0.539 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)c1 1833222173 MATYCBARGVVXFO-UHFFFAOYSA-N 400.479 0.363 30 20 HCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834518655 AZFLYHHUTQFHTA-NRFANRHFSA-N 422.529 0.888 30 20 HCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)=O)CCO3)c(C#N)c1 1834719511 BZIUXJWRCNGFKS-NRFANRHFSA-N 415.446 0.155 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1834756334 UFUFMTOJCHHZJR-FQEVSTJZSA-N 410.434 0.251 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834877227 UQLJBSUQCJYYGL-HNNXBMFYSA-N 420.518 0.046 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1837396492 IDKHLNBPCNLNDI-QRWLVFNGSA-N 406.483 0.361 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCS3)C2)C1 1837447907 WYSQTBFKEGHLMX-BBNMULTHSA-N 424.567 0.810 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1837561281 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414.462 0.612 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCOC)C2)C1 1839173385 MIBWIILNXINJSH-HXUWFJFHSA-N 412.483 0.379 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1839173643 CWIDKTORRPKKDM-LZJOCLMNSA-N 424.494 0.520 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1839276997 OKLJZFFHTUWIOI-GOSISDBHSA-N 406.370 0.718 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736724 GPMKSTBDKPWDAL-GZRFBZBPSA-N 405.520 0.798 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C\C=C\C)CCO2 1839832826 LCHAWYNPBIDORB-ZKCAWOEBSA-N 403.479 0.434 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839840677 GQUVAJXWLZHFCE-DJJJIMSYSA-N 406.439 0.170 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839846040 HFHFSYHZNBMMHT-IERDGZPVSA-N 418.494 0.783 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839870427 LYCLMZPQRRLKFP-FVJLSDCUSA-N 405.495 0.347 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C)C2)C1)C(F)(F)F 1839893794 QKVBKILPHAETCF-KRWDZBQOSA-N 414.384 0.974 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 1840160522 JKNCUMASGWYFIK-JLTOFOAXSA-N 422.503 0.846 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840204616 URVIAFUZLZZEAM-IERDGZPVSA-N 401.463 0.592 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273068 LAELIZKVDGMAMU-FRVUEHSBSA-N 408.495 0.032 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1840292635 CHXICMJJLFDJAV-OAQYLSRUSA-N 417.462 0.349 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840439199 WIEHOIZVRIPTLM-GHTZIAJQSA-N 420.510 0.883 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840452208 IOOWTPMJSZONOU-KKSFZXQISA-N 414.462 0.609 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1840844831 ODGYAJDZWDYMNV-KGVIQGDOSA-N 420.506 0.836 30 20 HCED O=C(O)c1cc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)ncn1 1842217031 DQZXIKIFHSMYPK-QPCOYWRUSA-N 417.422 0.521 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1843386668 IOYQJUVPMSCETE-IBGZPJMESA-N 410.518 0.853 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301494 QWPQFWNUMYJICZ-IUOVYFEOSA-N 402.451 0.731 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CN2CCN(C)CC2)C3)c1 1844726378 YUOIVIFBDKTCES-UHFFFAOYSA-N 411.506 0.631 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2Cc3[nH]nc(C(F)(F)F)c3C2)C1 1845858783 OGRRBCWYOOROAQ-SNVBAGLBSA-N 410.352 0.435 30 20 HCED Cc1c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cnn1C 13297502 UODNQJHNJCIWQG-UHFFFAOYSA-N 419.463 0.995 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 14207300 LFOJKQARGMKHKD-UHFFFAOYSA-N 400.526 0.592 30 20 HCED N/C(=N/Cc1ccccc1OCCN1CCOCC1)NCCCN1CCOCC1 303883261 MASHDNOWNWRNIS-UHFFFAOYSA-N 405.543 0.524 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)n1 436814789 LXPUSHBVPRTZOL-UHFFFAOYSA-N 424.461 1.138 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)C1=O 440274028 GFWPHWZRVZVSDE-MRXNPFEDSA-N 402.451 0.337 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CN(c3ccccc3)C2=O)n1 441332067 IUPNJIZEJFUGNK-MRXNPFEDSA-N 418.388 1.353 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CN(c2ccccc2)C1=O 441340913 LMWJRNUAPKAJGZ-INIZCTEOSA-N 415.413 0.918 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)n2)c(F)c1 445159597 OCJVPVRKSXQRFZ-UHFFFAOYSA-N 424.436 1.292 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 445959448 IRSFUWPPXODRJD-NVXWUHKLSA-N 416.507 0.323 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C2CCCC2)CC1 460615192 QXFFYHBQMPFWCS-UHFFFAOYSA-N 407.478 1.473 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCC(NS(=O)(=O)NC)CC2)cc1 463205051 SYVKKDWSRJCPMA-UHFFFAOYSA-N 423.539 0.850 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cnn(C)c3C)CC2)c1C#N 469867912 YWODWFJCIDFKNL-BEFAXECRSA-N 424.509 0.510 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 473843549 POTVCXNXFAXRRY-DLBZAZTESA-N 405.476 0.483 30 20 HCED C=C(C)[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 476214611 DVIGMPVDCONISI-HNNXBMFYSA-N 409.480 0.994 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc(OC)n2)c1=O 478760564 QDWLGOUYNONXOM-CQSZACIVSA-N 411.483 0.998 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 482143399 ZZKLLOJSBIMZHQ-GXFFZTMASA-N 418.397 0.504 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2nccnc2C)cc1 485918008 NYGSTRFEHGZONZ-UHFFFAOYSA-N 417.491 0.889 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3CCN(c4ccccn4)CC3)C2=O)cc1 489244089 ZBJJCJSHQHYXJY-HXUWFJFHSA-N 418.501 0.993 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 491285945 VBRVKRRFHXDSGW-SJORKVTESA-N 423.477 0.900 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 497945317 YFKQNLXDPYMOSF-CYBMUJFWSA-N 401.510 0.460 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(COC3CCOCC3)cc2)C1=O 500965313 XUYJDYBJAREXAM-UHFFFAOYSA-N 415.446 0.975 30 20 HCED N#CCNC(=O)CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 511895564 IYNOGZPJBGILRC-HNNXBMFYSA-N 405.480 0.193 30 20 HCED N#CCNC(=O)CNC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1 511905571 KEVWBRQJVNEGJD-UHFFFAOYSA-N 401.448 0.926 30 20 HCED C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 513322341 SBTAAGUKXODLIY-HSMVNMDESA-N 410.409 0.947 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C1CC1 521673247 TZLMOGJRZJACHK-UHFFFAOYSA-N 405.426 0.789 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 523210435 ZJIFSWVTPUXTRP-GOSISDBHSA-N 413.526 0.728 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)ccc1Cl 533002584 LZHNRTAIYRKNEJ-UHFFFAOYSA-N 407.839 0.640 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 535152060 AILATZDREPYSKI-LBPRGKRZSA-N 404.452 0.542 30 20 HCED CCN1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 537151543 RGTZZFRKKKZQEU-CABCVRRESA-N 401.515 0.587 30 20 HCED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CC(N)=O)c1=O 546622488 KQGOVULTPRGPMQ-UHFFFAOYSA-N 416.890 0.139 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 550216929 KRFGAYHJSNJNOW-UHFFFAOYSA-N 412.471 0.821 30 20 HCED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cn3)C2=O)c1 550869747 PIFFXPOLYGOLPS-INIZCTEOSA-N 409.402 0.831 30 20 HCED C[C@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 551883881 WKAQZEUXULQXCR-ZNMIVQPWSA-N 403.531 0.737 30 20 HCED CC1CCN([C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(C)C)CC1 559749095 KHHYQQDQVMBTLO-SFHVURJKSA-N 417.558 1.127 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1cncc(C#N)c1)C2 565450284 PELNLXGHDWAFCX-UHFFFAOYSA-N 406.489 0.951 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3cnccc3C#N)CC2)c(O)nc1=O 565650775 YFBUDDWQDCTPSD-UHFFFAOYSA-N 411.466 0.459 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 579397160 FIHMQJQARNRRNG-SIKLNZKXSA-N 414.506 0.903 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)c1cccc(S(=O)(=O)N3CCNC(=O)C3)c1)CC2 580578310 TXXOCDKEMOESQN-UHFFFAOYSA-N 410.455 0.882 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(CN(C)C)CCCC3)CC2)c1C#N 582262297 UHEAVULERBNKMA-UHFFFAOYSA-N 415.542 0.487 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 587648126 QXBMCCHWJJSVCC-YOEHRIQHSA-N 401.467 0.301 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CN(C)CCO1 589138330 AHQWZMGOKDIIBO-RDTXWAMCSA-N 403.458 0.181 30 20 HCED CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 604130902 DYXLGRAKLRBMMW-UHFFFAOYSA-N 411.466 0.937 30 20 HCED CN(CC(=O)Nc1cnn(CC(=O)NC2CC2)c1)S(=O)(=O)c1ccc(C#N)cc1 604183504 OOOWDBKPHPYANQ-UHFFFAOYSA-N 416.463 0.293 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1 604270036 NEODSMQSBDFCCQ-UHFFFAOYSA-N 424.526 0.342 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 609038816 XCMCVXNZKVNPAE-UHFFFAOYSA-N 420.498 0.086 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 610239542 LVFXSUMFIJSNMV-GOEBONIOSA-N 410.544 0.396 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 610425211 NKTCMFONULWILR-IRXDYDNUSA-N 400.483 0.869 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccccc2[C@@H]1C(N)=O 610805883 MTIDRFDSSOBNKX-FZKQIMNGSA-N 412.471 0.836 30 20 HCED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)O1 611373183 BCNQSDUKJXUDGR-IAGOWNOFSA-N 400.483 0.857 30 20 HCED CC(=O)N[C@H](C(=O)NCC#CCNC(=O)[C@H](NC(C)=O)C1CCCC1)C1CCCC1 680339361 FFMVCXVRYMBMIN-BGYRXZFFSA-N 418.538 0.612 30 20 HCED CC(C)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733156586 FROJYQSJWVFKPB-INIZCTEOSA-N 407.540 0.113 30 20 HCED N#CCOc1ccc(COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 733378212 WCHJOJRLEKRSRB-CQSZACIVSA-N 405.432 0.798 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2nn[nH]n2)CCCC1 736161809 KOMSNGYYOBEDBK-UHFFFAOYSA-N 403.468 0.604 30 20 HCED CN(Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746375758 CRZBHXCNSOCRKC-UHFFFAOYSA-N 409.450 0.741 30 20 HCED Cc1c(C(=O)OCC(=O)Nc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 748435005 OBXHRYBFFWDVLL-UHFFFAOYSA-N 407.386 0.608 30 20 HCED CCS(=O)(=O)NCCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 753370558 SXBAEVGPPDXJAF-HNNXBMFYSA-N 422.463 0.636 30 20 HCED C#CCNC(=O)C1CCN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 754032516 OFMMIGRPMCUVOJ-NRFANRHFSA-N 414.550 0.640 30 20 HCED CS(=O)(=O)[C@H]1CSCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 756944773 CCSWSVJYKAFUCN-AWEZNQCLSA-N 417.534 0.061 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccn(C)c2)c1=O 763433852 FTCZELOCLYAPGI-UHFFFAOYSA-N 402.520 0.704 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763459641 CFMNVWJDMCRWOE-UHFFFAOYSA-N 411.531 0.320 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cccc(OCC(N)=O)c1 766326176 QERYGLHXVKWBBH-CYBMUJFWSA-N 417.443 0.833 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771439816 SFFRKCIWRDJDHA-FQEVSTJZSA-N 416.434 0.768 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C3CCC3)CC2)cc1 774288749 GAZUCTKTYMNKQJ-UHFFFAOYSA-N 411.505 0.957 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 779613339 OATZXKBVNRMLMJ-SFHVURJKSA-N 406.508 0.953 30 20 HCED C[C@@H](CC(=O)N1CCCN(C(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 781115934 GWUXDKZVIIESGT-AWEZNQCLSA-N 418.519 0.975 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 784708871 DLJQSOOFFSDLIZ-HOTGVXAUSA-N 402.451 0.501 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@]2(C)CO)c1 784930476 YXVDDXMKHANEDB-SRMPHAGFSA-N 422.507 0.811 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 787058316 ASARNZZEVZDKOY-HOCLYGCPSA-N 422.463 0.982 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c(=O)n(C)c1=O 790868362 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CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)nn(C)c2C)c1=O 917355114 PYLVJIVJGKNQBL-UHFFFAOYSA-N 417.535 0.326 30 20 HCED C#CCN1CCC(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCO2)CC1 944627657 GOSOAAXSRYTJQH-NADOGSGZSA-N 401.507 0.099 30 20 HCED CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1117311427 KPAXEVNJHQFKHN-UHFFFAOYSA-N 423.421 0.148 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1302955098 XWXDWTXNDZRMMB-VQIMIIECSA-N 422.555 0.203 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)cn1C 1307527461 LAYABNMTFZWAJI-QGZVFWFLSA-N 419.507 0.346 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1318047775 FICLSSYPNMKTCI-HOTGVXAUSA-N 404.492 0.699 30 20 HCED N#CC1(CCCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCOCC1 1344555130 JRXSCYRSZQLANT-INIZCTEOSA-N 419.569 0.221 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1518167855 SDIUYGMLMNVAFL-INIZCTEOSA-N 422.449 0.836 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1CCCO 1611319584 JKFKJFFLTQJAIW-DLBZAZTESA-N 403.531 0.986 30 20 HCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1CCCO 1611319585 JKFKJFFLTQJAIW-IAGOWNOFSA-N 403.531 0.986 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634188752 ZEQZLVBMYHFUEL-ARFHVFGLSA-N 406.464 0.165 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)cc3=O)CC2)cc1C 1641230174 RIIOYSINBUAIGW-UHFFFAOYSA-N 415.475 0.265 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 1665808090 ZBSBKRGVBZCWNC-CQSZACIVSA-N 415.541 0.195 30 20 HCED COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1C[C@]1(O)CCS(=O)(=O)C1 1712442384 XEQAVLLZJDLQSC-LJQANCHMSA-N 419.507 0.661 30 20 HCED CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729225568 QLEVWORFCVOGTO-MRXNPFEDSA-N 407.544 0.661 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1778790981 CEYRCZBINRMHDK-ABDUDLSGSA-N 421.494 0.262 30 20 HCED 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30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1C 1838273869 XXRGOEHTEBMADD-FQEVSTJZSA-N 401.467 0.356 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838395084 PEGWYHDAYQOXGM-MGPUTAFESA-N 407.467 0.626 30 20 HCED C/C(=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2)C(=O)O 1838952337 PPJYBHZIJLKXJK-PLTPHKKDSA-N 413.430 0.659 30 20 HCED CN1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1839065358 COHGPZZHSCAKFE-DYESRHJHSA-N 415.494 0.298 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccc(OC)cc3)C2)C1 1839810638 KCOLJYNEUNNALY-OAQYLSRUSA-N 402.447 0.301 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840168872 WQFCXBKOXILDPM-HXUWFJFHSA-N 402.451 0.359 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595295 VEVCAGBZKPCXLH-OXJNMPFZSA-N 411.499 0.549 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCSC3)CCO2)C1 1840860701 NAZQGMBHMSHOSR-UWVAXJGDSA-N 410.536 0.624 30 20 HCED 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CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 430502983 KIEYNXGRMDDRHK-LJQANCHMSA-N 414.853 1.320 30 20 HCED CCc1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1S(N)(=O)=O 438760871 YUGUMJPIPDYSCZ-UHFFFAOYSA-N 409.512 0.529 30 20 HCED C=CCNC(=O)c1ccc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)nc1 438894197 FXDSVASKKUCXQT-UHFFFAOYSA-N 421.445 0.953 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCOC1 441928736 ODRRBRKXVYITSM-AWEZNQCLSA-N 413.474 0.867 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCN(CCO)CC2)cnn1-c1cccc(C#N)c1 443686928 WQGJTQJCWHSKLO-UHFFFAOYSA-N 410.478 0.771 30 20 HCED Cc1ccc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)cc1S(=O)(=O)NCC#N 447144913 PTIVQKHWBHAVBX-UHFFFAOYSA-N 413.521 0.836 30 20 HCED CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1(C)C 447290240 KUAKDUBSGKIXIE-MGPUTAFESA-N 412.450 0.760 30 20 HCED Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 448231570 SUMZOMJIBHBWHR-INIZCTEOSA-N 423.477 0.868 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCNS(=O)(=O)c3cccnc3)cc2)c1N 448426798 UWCKVMQLNKTRRB-UHFFFAOYSA-N 411.447 0.429 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463772224 ZUFJWEQTZQFRKD-QFBILLFUSA-N 400.479 0.654 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465417546 OOVYYOLMRXMMFU-CYBMUJFWSA-N 408.418 0.811 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 468845709 DRKLPKIKCMZZEK-KPZWWZAWSA-N 411.480 0.434 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H](CO)O1 469980805 HEJDEIOPVOOBJT-HUUCEWRRSA-N 415.450 0.536 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)N[C@H](C)C(=O)N3CCCCC3)CC2)c1C#N 472162443 ZCRQZSMLUNPQNG-MRXNPFEDSA-N 401.515 0.239 30 20 HCED CSc1nc(C2CC2)cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C#N 479101237 RJIMPNYQYWWVRP-LBPRGKRZSA-N 422.532 0.976 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 480488352 RBVFJJAWFWFQGI-UHFFFAOYSA-N 412.446 0.535 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481749705 XERHKSFKEUGYCY-CYBMUJFWSA-N 416.525 0.013 30 20 HCED CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482180422 RPFNKTTUZGBWNC-CVEARBPZSA-N 407.540 0.367 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)n2)cc1 491389413 NWQZDGWQZRCVBY-UHFFFAOYSA-N 419.449 0.204 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1C#N 504774456 KBYHUJSTDWKGTD-OAHLLOKOSA-N 420.491 0.458 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 509270053 NEZRFYBWAAEPFO-UKRRQHHQSA-N 405.480 0.897 30 20 HCED N#CC1(F)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 510888188 UNFXSFMHWSSEMM-UHFFFAOYSA-N 410.471 0.974 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C1CCN(C)CC1 516375895 YLPPSABZBSNGSP-UHFFFAOYSA-N 416.503 0.035 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)nc1 516482799 IJMUQWNKCAWFNZ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)O 517005356 OFSFSJGXJBVZRR-PXAZEXFGSA-N 411.436 0.448 30 20 HCED COC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 518442863 BDAOKWXAXUHEKY-KRWDZBQOSA-N 416.459 0.788 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)cc1 525329468 JGXYHMGXTLVQKJ-UHFFFAOYSA-N 406.508 0.764 30 20 HCED COc1ccc(S(=O)(=O)N2CCCN(CC(=O)NC3(C#N)CCC3)CC2)cc1 526134939 AIABILYSNPLJPO-UHFFFAOYSA-N 406.508 0.954 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 527251297 AAUICBISAYVLDH-UHFFFAOYSA-N 404.496 0.748 30 20 HCED COc1cc([C@@H](C#N)NC(=O)c2ccc(S(N)(=O)=O)nc2)cc(OC)c1OC 538417001 IFXWMJSAFCCIKD-GFCCVEGCSA-N 406.420 0.749 30 20 HCED COC(=O)[C@H](O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540550528 UYBPNKKHMFYMMO-QFBILLFUSA-N 420.535 0.703 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cn3cc(Cl)ccc3n2)CC1 550355072 BHNMWPJGNSYGGA-UHFFFAOYSA-N 418.885 0.050 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1C 553242245 PBGFNJCNXQRETP-OAHLLOKOSA-N 418.479 0.344 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)CC1 553354435 RCEQMFGJUGAKPO-UHFFFAOYSA-N 419.239 0.327 30 20 HCED CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2cnccc2C#N)CC1 561428953 HRVTZTHISVYPRM-SFHVURJKSA-N 417.477 0.890 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 567655139 MCRJNJUBDALKKC-ZDUSSCGKSA-N 406.913 0.820 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 577008337 FPWONVLLFXWOCU-HNNXBMFYSA-N 403.531 0.782 30 20 HCED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1=O 577572953 RRHLDHYVTUKAFX-AWEZNQCLSA-N 412.454 0.572 30 20 HCED Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)CCC2 584743081 YADUVBLBAOFHDJ-KRWDZBQOSA-N 407.478 0.801 30 20 HCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 589159351 OZOODDLGKHOLRA-UHFFFAOYSA-N 408.414 0.315 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 609108150 OGFZNENOLLXKHK-NVXWUHKLSA-N 404.492 0.337 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 609108440 DMFWWKCWWYBSMZ-GOSISDBHSA-N 405.524 0.220 30 20 HCED CC[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)N1CCOCC1 610647662 AYSWYHKAAKQDGU-HNNXBMFYSA-N 416.482 0.893 30 20 HCED C[C@@]1(C#N)CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@](C)(C#N)C3)CC2)C1 612165997 SCMLVTRMBLAVHR-VXKWHMMOSA-N 414.554 0.909 30 20 HCED N#Cc1ccc([C@@H](OC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C(N)=O)cc1 734556398 PRBCLZCGTIIKNK-IAGOWNOFSA-N 409.377 0.887 30 20 HCED CC(C)COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 737305266 GEIXXGAWTJPWKO-WUKNDPDISA-N 401.423 0.698 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCOCCS(C)(=O)=O)ccc2c1=O 741717756 FZFKBFJKINZUCF-UHFFFAOYSA-N 411.505 0.662 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccnc1N1CCC(C(N)=O)CC1 742402247 HPJNDLNLDZZWIY-UHFFFAOYSA-N 414.491 0.914 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 743918517 SVNBEJVRBDEEKY-WUKNDPDISA-N 400.366 0.419 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cccc(O)c2)CC1 746238631 PWQBBMNMKJWMBG-UHFFFAOYSA-N 400.460 0.780 30 20 HCED C#CCNC(=O)C1CCN(C[C@@H](O)COc2ccc(C(=O)OC)cc2OC)CC1 747968475 KIFNXPPDCRAPDA-QGZVFWFLSA-N 404.463 0.683 30 20 HCED COC(=O)C1=NOC2(CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1 753689358 KTLQRLRANAFIMR-UHFFFAOYSA-N 419.459 0.784 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccc4)n3)CC2)nc1 755207623 WDOYTKBORXWVHR-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 758752490 MQVSECQFVHNWMV-JYJNAYRXSA-N 421.498 0.778 30 20 HCED COc1cc(C=NNc2nccc(N3CCOCC3)n2)cc(OC)c1OCC(N)=O 762599696 AHTLKFWXTCUTDC-UHFFFAOYSA-N 416.438 0.641 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)Nc2cccc(C#N)c2)c1 764028719 YVLGPXZVLAXBSB-UHFFFAOYSA-N 406.420 0.607 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)Nc3cc(CC#N)ccn3)n[nH]c2n1 764209203 NPDWWSFYSOZQOS-UHFFFAOYSA-N 412.483 0.997 30 20 HCED C=CCCS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 765208736 YVYHXQPHOCCWMX-UHFFFAOYSA-N 423.557 0.459 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 766990812 OYVLDCQSOQCKGD-UHFFFAOYSA-N 423.472 0.936 30 20 HCED Cc1ccc(C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1S(=O)(=O)NCC#N 777506156 ILYIOBYFHGLJNH-HNNXBMFYSA-N 409.464 0.449 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC)[C@H]1CCS(=O)(=O)C1 783481895 ZCOLITWLNAOOFT-INIZCTEOSA-N 417.487 0.573 30 20 HCED C#CCN(C(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC)C1CC1 784918318 MAOXHFPJMUGKBQ-UHFFFAOYSA-N 407.448 0.521 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cn(C(C)(C)C)nn3)nc2)CC1 790149495 BZEOJDDOMJAUJB-UHFFFAOYSA-N 406.516 0.810 30 20 HCED Cc1nsc(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1C#N 793444491 QJAQWHZTONCLCG-MSUUIHNZSA-N 400.464 0.888 30 20 HCED C=CCn1nnnc1SCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 799303214 IBRVEVOWODZWMJ-UHFFFAOYSA-N 417.538 0.675 30 20 HCED CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1[N+](=O)[O-] 802175883 JKHVCMMKSVTGEK-UHFFFAOYSA-N 401.422 0.752 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 804012904 FMJDIPCLERKPJL-INIZCTEOSA-N 414.466 0.385 30 20 HCED C#CCOCCNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 805279519 MCAFZBLGDCIENH-UHFFFAOYSA-N 418.313 0.985 30 20 HCED COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 806897285 QVPOYWLZBCFUDU-OAHLLOKOSA-N 420.491 0.377 30 20 HCED CON=CC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 809573982 FBYPETOBIUXGDD-UHFFFAOYSA-N 416.843 0.136 30 20 HCED CO[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 810470946 WYLMMMIAYLOXNQ-ONVNGOMYSA-N 410.496 0.978 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCN(O)C3=O)C2)s1 816757713 ZMVPPUZQZWESEF-QWHCGFSZSA-N 401.510 0.954 30 20 HCED COC(=O)[C@@H]1[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@H]21 816967809 YWKZKJATYIFAAH-PIIMJCKOSA-N 417.487 0.836 30 20 HCED CNC(=O)c1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1 912796347 RBLVMLJRSQCOHJ-UHFFFAOYSA-N 416.507 0.823 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCOC 916198094 CAIDGLSPLHMYFT-UHFFFAOYSA-N 415.515 0.984 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)nc1 918264032 OFEXPXXNWZBAHP-UHFFFAOYSA-N 422.489 0.995 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(C)nn4cccnc34)CC2)o1 920537168 PABJOJPURYQTPL-UHFFFAOYSA-N 409.406 0.711 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)OCC)CC2)c1 921077790 MBVMMXHOKJBTHY-UHFFFAOYSA-N 407.492 0.309 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CCOC 1116424883 PPOYWPPHSQICMI-UHFFFAOYSA-N 412.393 0.219 30 20 HCED CNC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1177654129 MOCQQWVOTQWOMC-QWHCGFSZSA-N 407.496 0.424 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC(N)=O 1286631086 YPGSJYUSRZJKSR-NWDGAFQWSA-N 420.923 0.064 30 20 HCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1304905334 XMZMSYLWBJNFOK-ZDUSSCGKSA-N 417.495 0.033 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1314990990 VACPXHUQSXOJGU-OAHLLOKOSA-N 406.454 0.351 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)N1CCN(C)CC1 1322631710 COMNYNXEYMHRCB-HNNXBMFYSA-N 407.540 0.367 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](CO)C(=O)OCc2ccccc2)cc1 1323815038 CHLPGFALGFTANP-GOSISDBHSA-N 416.455 0.694 30 20 HCED Cc1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1492606269 ZOJQSCJQJTZZLM-CABCVRRESA-N 402.480 0.661 30 20 HCED CN(C(=O)[C@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 1539509884 IINQNRPRMDCZEK-OAHLLOKOSA-N 408.505 0.359 30 20 HCED CCOC(=O)c1csc(N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)n1 1562024921 ILYVTJDMLAJGCF-GFCCVEGCSA-N 401.514 0.921 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)CC1 1611772205 NPXVAXOCTKQCSI-HNNXBMFYSA-N 408.528 0.948 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1641428490 OGSXYIPAUBYLQE-CQSZACIVSA-N 424.504 0.181 30 20 HCED CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1729739026 RNMXQWOYWRWXHK-UHFFFAOYSA-N 407.475 0.473 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1769323166 UWHJWHBGGXXNAJ-QGZVFWFLSA-N 422.493 0.993 30 20 HCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c2ccccc21 1778165171 USWBTZUCNYGABX-NRFANRHFSA-N 411.462 0.474 30 20 HCED COCc1oncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017894 WYOBUSPFZKYBDS-BCVDLATCSA-N 419.482 0.736 30 20 HCED Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1779062765 OJPJEXAQJGKMPK-NRFANRHFSA-N 400.479 0.562 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)C2 1781745734 YUWJEWNAYDREDB-STXHMFSFSA-N 409.483 0.256 30 20 HCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781784094 CPRDQCYEEAJMOM-NRFANRHFSA-N 413.478 0.467 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782276302 DIFCEHVOOKTVCY-YWZLYKJASA-N 402.451 0.147 30 20 HCED COC(=O)CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782278081 PCDCNGSVTYSEHE-IIBYNOLFSA-N 422.478 0.712 30 20 HCED Cc1nccn1[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782629208 OXRJXNRYUDBTCT-YYFZDKIDSA-N 402.451 0.354 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)CCO2 1783558131 OJMKAUOKACEOFD-GXZWQRSESA-N 418.396 0.986 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1783930720 QGZVCFZSQDPOEH-NHCUHLMSSA-N 415.446 0.618 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1784494596 VVEAZUHAWZPDRG-OWSLCNJRSA-N 411.568 0.606 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1785333209 FXEXZKNUIHRWQD-MGPUTAFESA-N 405.520 0.955 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N(C)C)o3)[C@H]2C1 1785886411 NHKZOAVJXQLGBC-QBYUYEEZSA-N 420.510 0.907 30 20 HCED CCOC(=O)c1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)ccn1 1786367719 PKJISTVGKUWOGI-ZOBUZTSGSA-N 400.435 0.765 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1789954954 DVMZUCAKGNQFJW-QPSCCSFWSA-N 413.544 0.784 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C[C@@H]21 1790794011 UHMJZBQXTYCKFK-WHOFXGATSA-N 400.460 0.352 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(Cl)cnc1OC 1792401054 DLHKQJLHDIZIIO-ZJOBFFGXSA-N 421.881 0.985 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(OC)n(C)n1)C2 1792566640 OJHADKHPJBPWTP-MQRSDUHLSA-N 401.467 0.539 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cc(C)n(C)n1 1793130042 GHBYWWXIWRZZEE-HIRMHNASSA-N 404.511 0.434 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795276383 YMDZQRYYBGJWJG-NSAZKJPHSA-N 411.502 0.933 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 1795287336 ADBDMJBTMOWWNM-CLWJZODNSA-N 419.598 0.906 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CC(=O)N(C4CCCC4)C2)C3)CC1 1795407968 KIGPVVBVPILSQE-GGXPGOJBSA-N 414.506 0.671 30 20 HCED CN1CCN(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C/N=C/c2ccco2)C3)CC1 1795886024 QBFSTUCXOJBSPP-YBSWUJQSSA-N 415.538 0.974 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC[S@@](=O)CC 1797608561 KHONJCVYPDXBGZ-CIMFIESESA-N 400.541 0.308 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)c(Cl)c1 1799752177 ITQZDDKOGOMBFF-ZUMXRPEOSA-N 416.865 0.551 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnc2C)c1 1800276269 UDJKVVDQLSZVFM-RMFSNUHRSA-N 423.473 0.975 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800636178 QSMQRVNJDZABOJ-LFZDHENXSA-N 417.506 0.981 30 20 HCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(N)=O)c(Cl)c1 1802164803 FBTWHCLPQXSJAW-DRXBFXEBSA-N 405.842 0.083 30 20 HCED COc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1805307751 JESQEBFNDIJIPR-KSSFIOAISA-N 411.418 0.231 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnc3ncccn23)[C@@H]1c1cccnc1 1812877556 MZPOKQGQMALMHY-HNAYVOBHSA-N 418.413 0.532 30 20 HCED CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CC1)CC2 1819805119 MQGVXKQIZWWZFW-JTQLQIEISA-N 406.537 0.843 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1nccn1)CC2 1822925959 CIABEVSIFOVFIN-LBPRGKRZSA-N 418.479 0.856 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1829787539 XNISBMDDVZWWKE-UZLBHIALSA-N 420.514 0.683 30 20 HCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)C(C)C 1830057983 OCLPWNUPZKZYFM-OXJNMPFZSA-N 409.483 0.580 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831207276 BIOQORNPHLKWAL-JBYIUTFZSA-N 418.490 0.446 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN(CCO)CCO)CC2)CCC1 1832787777 FUHYHXRIRZBAHF-LJQANCHMSA-N 420.554 0.587 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833533908 BPHAJLFVPNUROE-CXAGYDPISA-N 411.484 0.409 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834769193 VCRJFYWOQPONKY-CQSZACIVSA-N 405.499 0.892 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCC(CO)CC4)C3)C2)CC1 1835340709 FVVXYHQKQSEPRQ-BPZDKFOGSA-N 405.495 0.545 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nc4ccccc4n(C)c3=O)CC2)CC1 1835372691 WSOFYCAMDDVLRN-UHFFFAOYSA-N 421.501 0.752 30 20 HCED Cc1noc(N)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1835630102 OQUFYOYBHOLIAL-LJQANCHMSA-N 403.439 0.329 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835644095 SQNQCDYIASFNOD-KSSFIOAISA-N 414.528 0.051 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835836249 MDYHDHBBADYZRU-QOKNQOGYSA-N 408.524 0.246 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H]4Cc5ccccc5O4)CCO3)C2)CC1 1836648927 WZIYJNLGUGDYOQ-PGRDOPGGSA-N 411.458 0.750 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1837306168 VNNCUCOKNKSYSX-VQIMIIECSA-N 414.524 0.256 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838352583 NPOHPNNRUKVHHC-HXUWFJFHSA-N 402.451 0.359 30 20 HCED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186267 JGEOHIJGRYLMDD-FQEVSTJZSA-N 405.426 0.343 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc1 1839363339 FRGLXJGMZJHLEZ-NRFANRHFSA-N 414.462 0.088 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)cc3O)C2)C1 1839809266 JLINDKMXYQBKGD-GOSISDBHSA-N 423.263 0.858 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1839838383 HADSUZBEUZTTIN-IAOVAPTHSA-N 408.417 0.968 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840062909 CFIZHSQVHJUNKS-MGPUTAFESA-N 420.466 0.658 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840166740 ZKJYDAUBSIYPNE-NRFANRHFSA-N 401.463 0.259 30 20 HCED COc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813432 ZMVFMBDWZLQCDK-OAQYLSRUSA-N 414.462 0.854 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nn[nH]c5c4)C3)C2)CCC1 1840815181 ATCLSNGVSWVLEL-NRFANRHFSA-N 424.461 0.722 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1cccn1 1840816078 OFDLXTBVLRMVKO-JXFKEZNVSA-N 401.467 0.594 30 20 HCED O=C([C@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302567 CLDNXZZIKZRZGU-LXMKPWBVSA-N 413.496 0.296 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747298 NVVGUUASTMJCKZ-XSLAGTTESA-N 417.506 0.972 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(S(C)(=O)=O)CC2)c1 55237034 CIIQZYHEEBCLPE-UHFFFAOYSA-N 401.510 0.258 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)CCO1 409499398 HSQNBPXFXPLMBT-GFCCVEGCSA-N 403.258 0.446 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 410139680 DKPWAXYYPNLQLP-AWEZNQCLSA-N 402.517 0.446 30 20 HCED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCC(=O)NCCO)c2)cc1 439250899 WDXGGIJUQDBYBV-UHFFFAOYSA-N 410.430 0.495 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)C2)cc1 442247161 FBHVQVKGLWWJMS-UHFFFAOYSA-N 402.414 1.426 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2)cc1 442249057 JGYGBRHDJORDQP-UHFFFAOYSA-N 407.365 0.901 30 20 HCED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 443360110 VOXKKZJCBJLNED-ZDUSSCGKSA-N 407.414 0.891 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 443750437 RIDCMNKCKIKBNE-LBPRGKRZSA-N 404.466 0.872 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446626518 VBDHLJSAARIBTE-XBMUEBEBSA-N 417.510 0.978 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCN(C)CC1 460616909 YBHYFVJFKZDIDL-SFHVURJKSA-N 424.509 0.466 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C1=O 461422576 DFYRCMHNZBFWSV-ZWKOTPCHSA-N 410.474 0.944 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)CC2(C#N)CC2)c1 463411223 DUXWAQQSSONFJS-NSHDSACASA-N 400.482 0.145 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CS(N)(=O)=O)cc1 465274256 JYYPYHQCZRJBSQ-ZDUSSCGKSA-N 400.464 0.488 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 465417647 PHSJVOCXAFTJFO-LLVKDONJSA-N 414.495 0.595 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 467864494 OBNSTRDYTXJRQN-UHFFFAOYSA-N 420.520 1.160 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCNC(=O)C1CCC1 470019827 VETIZTIKYLUYMQ-CQSZACIVSA-N 406.508 0.990 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)c1C#N 472046457 DRFYOGNCJFPYFD-INIZCTEOSA-N 402.547 0.315 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 472966392 SPDMQBUBIDVXCM-VBKZILBWSA-N 403.435 0.928 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC)c2=O)n1 477006949 BAGXVPXVQUBKEY-UHFFFAOYSA-N 400.504 0.999 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 482143367 ZQSXEKHEYPQHJQ-GWCFXTLKSA-N 418.397 0.504 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 486484859 IANGFIDUZQLFKN-BZSNNMDCSA-N 413.478 0.594 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488639250 GLKBXGGVHJWWMG-KRWDZBQOSA-N 423.477 0.172 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)nc1 497779813 JYOHJDMQTIUQRJ-UHFFFAOYSA-N 412.431 0.819 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 501171651 WRRGNUPGXNNZBE-PKAMJGAUSA-N 424.461 0.874 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCSC 502047519 JQPZUMDZXLUGIT-UHFFFAOYSA-N 403.533 0.202 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 503174822 KHEIZIYRZGKRKV-INIZCTEOSA-N 407.434 0.573 30 20 HCED C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(N)=O)C1 508947008 VOVONWBITADMSY-INIZCTEOSA-N 423.477 0.942 30 20 HCED C=CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccnn2C)c1=O 511141639 CLMKXCFGOHUGSK-UHFFFAOYSA-N 420.450 0.944 30 20 HCED CCOC(=O)Cn1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1=O 513817740 NVUFCNXJEKGWGH-UHFFFAOYSA-N 406.376 0.992 30 20 HCED N#CCCCS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 520362820 YTGVDQJRKDWMKJ-OAHLLOKOSA-N 401.510 0.867 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4ccnc4)nn3)CC2)cc1 522971161 JSIGCEMJDZWYFL-UHFFFAOYSA-N 423.458 0.681 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 523049747 PITUWWPOMTYPGT-UHFFFAOYSA-N 421.457 0.970 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 550187882 HJGLONIBDXTLSX-USXIJHARSA-N 418.469 0.781 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)C2)c(F)c1 553166526 KQNKVVWMTFVFLP-LSDHHAIUSA-N 409.487 0.555 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCOC2)CCO1 559212759 RUMFYLBHBSAQST-RHSMWYFYSA-N 407.438 0.686 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NCc2cnc3c(C#N)cnn3c2)c1 560904751 VGDRCJUFUUIQKY-LBPRGKRZSA-N 413.463 0.626 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC1(O)CCS(=O)(=O)CC1 565487660 YKUYVRRKWIIWAH-UHFFFAOYSA-N 412.411 0.795 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2N(C)C(C)C)CC1 581572331 WTFNFQHYEWTTOC-UHFFFAOYSA-N 415.538 0.594 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 608911181 OXOVTRCMEDKGAF-UHFFFAOYSA-N 424.507 0.415 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2=O)cn1 609805507 GAEMXGSQJBXNNA-KRWDZBQOSA-N 408.466 0.760 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 610775488 QDIZNJFAYUAILC-KRWDZBQOSA-N 409.450 0.616 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c(C)o1 732466202 NBLHNAOIUKNSFI-ISLYRVAYSA-N 415.450 0.890 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CSCN2C(=O)/C(C)=C/CC)CC1 733148573 CTUJTIROJFITBF-DYFCPDHGSA-N 406.552 0.528 30 20 HCED COc1cccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 733888099 LJPCXQUSBPYVPM-FMQUCBEESA-N 412.446 0.896 30 20 HCED CC(C)N(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 735588896 OEVQLNJPBMKBDP-XLNRJJMWSA-N 423.539 0.894 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 741343382 LPHKKSJCVMWLIH-WPCFGXOUSA-N 422.438 0.135 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H](Cc1ccccc1)CN1CCOCC1 746249951 MCRQGNCAYGKUKV-UGNPLGLKSA-N 412.490 0.963 30 20 HCED CCOC(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 749625076 DSXIFHNYDRWJNV-UHFFFAOYSA-N 411.422 0.437 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cccn2Cc2cccs2)c(=O)n(C)c1=O 755806122 YFSJTXDRSKNXNE-UHFFFAOYSA-N 407.477 0.308 30 20 HCED COC(=O)c1cccc(COC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1C#N 756196939 WIXGDZNKAHVLJA-UHFFFAOYSA-N 416.411 0.961 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCO1 761488321 KEOLHKQHDLIIIO-KBPBESRZSA-N 420.470 0.876 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)CCCN2CCOCC2)C1 766077630 PMWJUHRIFDRIFW-CABCVRRESA-N 402.517 0.387 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 766806772 CAGJTAVVHWQGIH-CQSZACIVSA-N 411.480 0.540 30 20 HCED N#CC1(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 767406754 SQQXXDOLGWWJEP-UHFFFAOYSA-N 424.475 0.950 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(CCOC)c2=O)cn1 772278045 KHJNERYSMNFGAJ-UHFFFAOYSA-N 401.492 0.273 30 20 HCED N#Cc1ccc(NCC(=O)NC[C@H]2CCCN2C(=O)CNc2ccc(C#N)cn2)nc1 772819177 RPVRZDRKGDDKKO-QGZVFWFLSA-N 418.461 0.851 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCCO1 773786419 JSFZEPCDFJSVNT-CABCVRRESA-N 421.475 0.371 30 20 HCED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 776116210 LINCZCQYVHEIBD-OJXHRBAXSA-N 418.475 0.539 30 20 HCED O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 779081048 ZFFAEJGEZHPMLM-HIFRSBDPSA-N 405.476 0.712 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1 781522799 BMARBEXNLFOEHD-UHFFFAOYSA-N 423.922 0.956 30 20 HCED C#CCN(C(=O)C(=O)Nc1c(F)cccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 783479950 HDQZSIRTABQNAL-ZDUSSCGKSA-N 404.423 0.599 30 20 HCED N#CC1(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCC1 784236570 HAWHHTNTTROKRL-UHFFFAOYSA-N 416.253 0.816 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCOC[C@@H]1c1noc(COC)n1 785330870 DYQJDFHNWQMMEW-CQSZACIVSA-N 418.381 0.906 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 786446333 YGCAZAINEZSMHX-UHFFFAOYSA-N 416.473 0.846 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)[C@H]1CCCO1 787175818 KELPXPHOQWRPCF-JKSUJKDBSA-N 417.462 0.123 30 20 HCED N#CCn1cc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cn1 787970884 AWGCNPCINTXMJP-MRXNPFEDSA-N 416.388 0.931 30 20 HCED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789402040 BBPBGRGCCIXTTC-ZDUSSCGKSA-N 423.429 0.936 30 20 HCED COC(=O)c1c(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n[nH]c1C 792783881 DQSIJWQQJMCFOX-CQSZACIVSA-N 417.447 0.456 30 20 HCED Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CC3)C2=O)cc1 793201624 PAQHRDOSWUWGBT-KRWDZBQOSA-N 404.448 0.512 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccccc2C)c1=O 794646644 ZRKWAGKADLJKJO-UHFFFAOYSA-N 403.467 0.286 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCc2nnn(CC(F)(F)F)n2)cc1 799460240 XWLQDQULRJWWLF-UHFFFAOYSA-N 418.357 0.784 30 20 HCED C=CCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 800786735 JLAPRYSIGJNXQL-CQSZACIVSA-N 417.557 0.226 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1)[C@@H]1CCCO1 809311172 UMIDRCXPKIGRCY-OALUTQOASA-N 418.538 0.219 30 20 HCED CSC[C@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 813980016 NNJLOCHQONXSBS-LBPRGKRZSA-N 410.521 0.996 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 914899464 AESGXQDYEWTUQT-UHFFFAOYSA-N 400.844 0.609 30 20 HCED CCO[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917305171 QBYZCAFNJQSMPN-CVEARBPZSA-N 421.475 0.359 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CC(N)=O)n1 918686861 ZQAKWQBNPBFAKF-ZDUSSCGKSA-N 418.479 0.460 30 20 HCED C[C@@H]1CN(c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)C[C@@H](C)O1 1122415312 RLEJMAHXCIOGMA-IIAWOOMASA-N 420.491 0.275 30 20 HCED C[C@@H](CC(=O)NC1CN(c2ccncn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1152385526 XSMCQNRQNNUHKQ-LBPRGKRZSA-N 400.464 0.299 30 20 HCED C[C@]1(C[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)NC(=O)NC1=O 1261115511 FHRQNDXYCKQFCY-CMPZQBNXSA-N 409.446 0.890 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)cn1 1298818546 KOMHOVXMDFNFRZ-DLBZAZTESA-N 400.487 0.254 30 20 HCED C=CC[C@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)O 1321657030 AFOGNCIJFNNZIU-INIZCTEOSA-N 423.491 0.445 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1 1324607037 WUOBZZDTGULYCT-QGZVFWFLSA-N 403.464 0.421 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1339049067 VDORFDNGPQRIDN-GDBMZVCRSA-N 407.434 0.794 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 1342523008 XPYXHYCNURPROW-KRWDZBQOSA-N 407.492 0.875 30 20 HCED CC[C@](COC)(NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1556921042 PNIVZSPOOGLLHV-KPZWWZAWSA-N 411.480 0.588 30 20 HCED C[C@@H]1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCO1 1612693640 ZHAUMABTONVUKT-KLHDSHLOSA-N 409.512 0.724 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1615956634 SQHDHQIYPURXHM-UHFFFAOYSA-N 410.482 0.804 30 20 HCED CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1650944307 VMTAFNKECPDDHS-KRWDZBQOSA-N 411.484 0.504 30 20 HCED CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1696878337 OKXSDMDIEFYKAV-RXVVDRJESA-N 423.477 0.524 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCOC1=O 1707911745 NQZAHFJQKLDFJH-CQSZACIVSA-N 411.470 0.806 30 20 HCED CNC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1769321848 WMBSLCVBZJAZNZ-INIZCTEOSA-N 400.439 0.827 30 20 HCED C[C@@H](Nc1nccs1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778073820 LVISFOFVFLXTGB-PJIJBLCYSA-N 420.491 0.545 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062688 FSFXDAYHLWLKRT-VGSWGCGISA-N 419.522 0.382 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529481 PPWPMPFAPATCJZ-YJYMSZOUSA-N 419.438 0.419 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N(C)C(C)=O)CCO2 1781268021 GEJIPMKCHJDCSL-MGPUTAFESA-N 409.483 0.193 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1781392077 XKYNTIHPMLPXHJ-VBKZILBWSA-N 417.466 0.425 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)cc1 1781786547 CPPJHXMZXCTPFY-NRFANRHFSA-N 423.429 0.711 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1=NN(C)C(=O)CC1)C2 1782188323 YQBJPUBKFHTVSE-DYESRHJHSA-N 402.495 0.912 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3cccc([N+](=O)[O-])c3=O)C2)C1 1782789492 UACOQXNJDKNUMR-FQEVSTJZSA-N 416.434 0.390 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783195692 VEFXJMHMCAIMQH-KRWDZBQOSA-N 422.392 0.073 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OC(C)C)C[C@@H]21 1783531608 MUMZFQVCNBMEJZ-OXLFWHROSA-N 407.511 0.638 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1783557726 QCJLSUQJCOUZRL-NRFANRHFSA-N 413.430 0.402 30 20 HCED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C[C@@H]32)CCC1=O 1784978454 WBJVGLQSYAOAKS-LNLFQRSKSA-N 423.473 0.760 30 20 HCED Cn1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1787048938 UXARYGYRNNZWFD-SZMVWBNQSA-N 416.526 0.224 30 20 HCED CC[C@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1787407642 JZMVNANSDLJODI-VJANTYMQSA-N 412.490 0.465 30 20 HCED COC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788652582 IYDZMVBFHHHVLW-KIKCDZBMSA-N 411.499 0.920 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCC3)C[C@@H]21 1788661167 DDZIKVSFSOJZAG-MJXFEGMOSA-N 407.467 0.799 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4n3)[C@H]2C1 1789140229 LCECZWQERUBJHA-MRHSLFKSSA-N 413.478 0.914 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc4c3OCO4)[C@H]2C1 1789177602 UQBIDLNOAIODTJ-OHFALNGGSA-N 417.462 0.995 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnn5cccnc45)C[C@@H]32)c1 1789344543 BQWIKRZGCIHDCW-ZVZYQTTQSA-N 419.445 0.836 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1789959494 MMNZUVPOWZOFER-WOYTXXSLSA-N 406.487 0.620 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21)C(F)(F)F 1790884544 YCDMAZLWMWBLSD-IHRRRGAJSA-N 419.400 0.927 30 20 HCED CS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792830906 CREBBUFTQJJUFK-XEMDLRDOSA-N 419.503 0.125 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1792836587 NMZXBRUSMMECOR-HBCWATKFSA-N 414.849 0.157 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 1793820277 UXUPKVJLPZVNQT-ZSBFGKGUSA-N 419.503 0.975 30 20 HCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnsn2)ccc1F 1794384780 DHUTWIXPJCXSTC-ZSBFGKGUSA-N 415.450 0.995 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1O)C2 1795601189 VAPRQEKZESCUAD-XEMDLRDOSA-N 414.506 0.806 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(CCOC)n1)C(F)(F)F 1796597057 PGNKIHZJEVJEHW-AGGWBTHJSA-N 416.400 0.851 30 20 HCED Cc1onc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c1C 1797740478 LOYOWNZZSOYTQA-KTZVYDJMSA-N 403.483 0.966 30 20 HCED CNC(=S)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1797759178 ASQCKNLUZMHXQS-ALXJQNPVSA-N 415.519 0.245 30 20 HCED O=C(CCn1cncn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798499983 IXNLFUGSEJGEMU-YVJCAOCBSA-N 404.471 0.835 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cncnc1)C2 1799302618 HEUVCYQKFBXTPC-HGKCTWBKSA-N 402.451 0.118 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(O)c1)C2 1799306954 TUFPRZCRAWGIRM-JLVBRIDZSA-N 403.435 0.500 30 20 HCED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799752089 DGSRLFCYXXUAHA-CCWDJLKJSA-N 418.881 0.941 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)CC3(O)CCC3)C4)c2c1 1799886015 GKSBBFGGLLBKDN-CCWDJLKJSA-N 423.473 0.943 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1)C2 1800455710 NTLDDXRMUUMUOL-ICDONNSOSA-N 423.485 0.948 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1CCCCC1=O 1800891246 YJMZDFQYJBVDQV-UPHUGPLXSA-N 407.511 0.571 30 20 HCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCn2cncn2)cc1 1801258255 YSSAFHQXOXKYDU-RMFSNUHRSA-N 408.462 0.372 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2 1801994550 QQWKHHJZRFQQCB-VPTLXERWSA-N 409.446 0.492 30 20 HCED CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccnc1 1802685688 JRUBOTWEVISMLI-DOTOQJQBSA-N 400.483 0.908 30 20 HCED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810358736 SXJUWPZAUPQJPM-LMNJBCLMSA-N 400.479 0.151 30 20 HCED COC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1810559911 PTCPBJHFZQYIQV-FGTMMUONSA-N 413.478 0.542 30 20 HCED O=C(Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1)[C@@H]1C[C@H](O)CN1 1820751280 ORFXRRBUODADTD-UMHFOVFLSA-N 414.466 0.837 30 20 HCED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)CC2)CCC1 1824976014 PFORBKDPFLZPCD-MRXNPFEDSA-N 415.494 0.852 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670456 CVCQHYGXEVEVRK-NXEZZACHSA-N 409.420 0.705 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826934179 UFLHJCNLUVNLMB-BZSNNMDCSA-N 422.570 0.772 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1827644002 OZJFPXSKSJHKTO-OALUTQOASA-N 412.490 0.659 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](COC(C)=O)OC(C)=O)CC2 1828095241 WMXVXQXHLUWNHL-DZGCQCFKSA-N 421.475 0.963 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1831215694 RHKANUIKOFFOQV-NRFANRHFSA-N 409.446 0.441 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1831431557 FCNLJYDJNPFCPX-IERDGZPVSA-N 419.478 0.757 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1832452477 ZBNNVGNWXHENIB-LJQANCHMSA-N 422.507 0.474 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832712900 OKEAKGRZCRHMKL-KDOFPFPSSA-N 411.549 0.948 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3ccco3)CCO2)C1 1833069332 ODYZDMIXJFNFHC-MOENXHEYSA-N 402.447 0.788 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833086801 DVIAOLWFQGBCKV-DYESRHJHSA-N 420.510 0.221 30 20 HCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768005 WVWWTIACXIDRPV-IERDGZPVSA-N 414.462 0.175 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1834768947 RKCSWKLGOPKOBA-SSKFGXFMSA-N 424.457 0.266 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835097257 ZUEPQZAAULRBDK-JOCHJYFZSA-N 408.458 0.542 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)CC1CC1)CCO2 1835220387 VBWPBYRHDYDEKJ-JJOCEZFHSA-N 409.483 0.772 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c1 1835434303 HMGRYQHWXNVDIN-OAQYLSRUSA-N 414.462 0.025 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632215 FNYRXXNWRJFNML-OAQYLSRUSA-N 419.526 0.051 30 20 HCED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1836559779 DJUKISGDVPXAKC-NSHDSACASA-N 410.500 0.821 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(F)(F)F)CC1)CCO2 1836709918 JYLFQDHQIDOGQC-PBHICJAKSA-N 418.412 0.824 30 20 HCED CC1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)CC1 1836805813 RIRHNDFHKJRTPT-UHFFFAOYSA-N 419.522 0.805 30 20 HCED CC(C)(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732595 WCMLZZBGRSOXGR-HXUWFJFHSA-N 404.467 0.771 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838737967 HVVUFRFMXXTENL-HXUWFJFHSA-N 408.418 0.470 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905499 JIYXLBQVEPFQRY-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839063767 WWDKMBJXYRYPJG-SIKLNZKXSA-N 423.554 0.767 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117279 BREMSXJSFOIOAD-OAQYLSRUSA-N 404.511 0.765 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839223179 ONGAMZYZAYUQPC-OXJNMPFZSA-N 420.466 0.191 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756855 WRDKBNWQECLJTQ-WEIACGKOSA-N 413.446 0.474 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Br)cnc3C)C2)C1 1839807417 YUHOBHDCRCCDEM-SFHVURJKSA-N 422.279 0.856 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1839842623 AWIAFLIGADOHOQ-XGHQBKJUSA-N 409.527 0.960 30 20 HCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840157874 CPPFZVBUBDONIV-YJYMSZOUSA-N 422.507 0.428 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840158430 LJKBOQPJWUXGDV-IFXJQAMLSA-N 408.524 0.536 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840165659 FXSUXYCVDBBJSA-YJYMSZOUSA-N 407.492 0.174 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455686 HKVMGNLUVBMFCF-LAUBAEHRSA-N 418.494 0.457 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(S(C)(=O)=O)c1)C2 1841597941 DJGGTZRNSYMJBW-HNNXBMFYSA-N 404.488 0.945 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)cc1 1848072057 XNSVLLSWFUPOBV-ROUUACIJSA-N 416.503 0.104 30 20 HCED COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@@H]2CCCCO2)n(C)n1 1848341237 PLNWBRFTCQVTBY-JQQARTOFSA-N 405.455 0.773 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccco2)CC1 7197398 DSYBYTNNRTVHCD-UHFFFAOYSA-N 403.416 0.841 30 20 HCED C#CCNC(=O)COC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 19050888 GCMLPGUPVHVLNE-UHFFFAOYSA-N 406.464 0.319 30 20 HCED C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 48275938 MYKOZHLMPQDJRV-CQSZACIVSA-N 416.459 0.803 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 410130708 NITRCUJOTODJLB-UHFFFAOYSA-N 404.514 0.181 30 20 HCED C=C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 426846439 VSFIFSJUESSCBL-INIZCTEOSA-N 423.535 0.975 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)[C@H](O)C(F)F)nn1CCC#N 439358711 MITGHVNYPURLTK-ZBFHGGJFSA-N 405.405 1.397 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1COc2ccccc2C1 460586588 RMINGTQNALHPTD-MRXNPFEDSA-N 402.414 1.506 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)c1C#N 472046458 DRFYOGNCJFPYFD-MRXNPFEDSA-N 402.547 0.315 30 20 HCED C=CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 475016578 LVPXYVJLWYSONQ-HNNXBMFYSA-N 400.522 0.681 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C#N)ccc1Cl 475525625 CSOLGMIRHAQYQX-GFCCVEGCSA-N 419.912 0.526 30 20 HCED COC(=O)CC1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 482842521 UYVVQDRGMSKHEB-ZDUSSCGKSA-N 409.464 0.454 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1nccn1C 503194860 ZYFOIZDWKUVRRO-UHFFFAOYSA-N 416.507 0.257 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)C1=O 503647630 JUQFJVRZPWALKJ-CYBMUJFWSA-N 407.448 0.332 30 20 HCED CNC(=O)Cn1nc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C 503861519 WDQDYIWMFAWPKG-UHFFFAOYSA-N 404.452 0.382 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)N(C)CC#N)c(=O)n2Cc1ccccc1 504598770 OZZKBJIEWGKZDT-UHFFFAOYSA-N 410.434 0.036 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 509270052 NEZRFYBWAAEPFO-HIFRSBDPSA-N 405.480 0.897 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cnc2n(C)c1=O 510162586 IHPQPIJEOREBIV-QGZVFWFLSA-N 418.457 0.482 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 513414729 KQGVIJCVSVTDLL-UHFFFAOYSA-N 413.503 0.485 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OCCN3CCCC3)cc2)C1=O 518435138 BUYFXAQGGVJHQU-UHFFFAOYSA-N 414.462 0.754 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 531557272 CSZFBWQEGRLRNA-HNNXBMFYSA-N 412.487 0.738 30 20 HCED C=CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 533388095 YCAKQPIFJOPBRQ-OAHLLOKOSA-N 407.496 0.178 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCC[C@H]1O 534382396 VNJMBQXPOXCCAQ-ZWKOTPCHSA-N 420.535 0.484 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)n1 539205510 JKCHUTUZRSGJHS-UHFFFAOYSA-N 410.481 0.430 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1 550697982 SQDGVYGDAAIVDG-UHFFFAOYSA-N 400.460 0.741 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 551542776 GXOYLIDDVNLJNY-UHFFFAOYSA-N 412.837 0.993 30 20 HCED CC[C@H]1CN(CC#CCN2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)C[C@H](C)S1(=O)=O 553925477 QXRJPNGDIBAFFK-USTZCAOPSA-N 404.598 0.785 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 559474941 YCFRYWNSYDJWRJ-CQSZACIVSA-N 401.430 0.846 30 20 HCED C[C@H]1CCCN(CCCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 559839905 SYDFTOQTZHYXEH-HNNXBMFYSA-N 403.531 0.883 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561706834 ITOZVXHYHDSEBK-OLMNPRSZSA-N 414.462 0.086 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 573997350 VGSVFHRBDVGNEF-ROUUACIJSA-N 408.543 0.534 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 574310410 IQXUKYWHUNMGON-SIKLNZKXSA-N 412.490 0.657 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@H](C(C)C)C3)CC2)c1C#N 577652611 RRYNNLWHWURQRH-DOTOQJQBSA-N 402.499 0.569 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 580357574 KOLJXNUBYVPLHN-CYBMUJFWSA-N 409.386 0.884 30 20 HCED N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)ccc1Br 584008392 OZIGSDDASKGWQT-NSHDSACASA-N 400.254 0.953 30 20 HCED COc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2ccccc2n1 588762042 UVQCIVTUEBORFZ-UHFFFAOYSA-N 421.461 1.128 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 603727539 XOMDJCUICAYIIK-UHFFFAOYSA-N 421.500 0.479 30 20 HCED N#Cc1nc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[nH]c1C#N 603873313 LCQNLCWLUTVZLJ-UHFFFAOYSA-N 402.392 0.231 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)cc1 609483377 RAKLGWJVEFUUER-MRXNPFEDSA-N 404.492 0.683 30 20 HCED C=CCN(C(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 609847566 UUDPLGUMYHWOFC-LLVKDONJSA-N 417.465 0.366 30 20 HCED COCCN1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 609920447 MNEVQDFMDJUPOL-QGZVFWFLSA-N 421.523 0.295 30 20 HCED Cc1nnc2n1C[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 611009855 YAWPMXPRGGNNIW-INIZCTEOSA-N 414.491 0.554 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccccn2)c1=O 618433952 ZQQYNZFKOJICJR-UHFFFAOYSA-N 418.478 0.779 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2Cl)c1=O 727163376 YPMCXTOISQQXKP-UHFFFAOYSA-N 408.892 0.139 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 734292947 LEINXJXKHMKHOH-UHFFFAOYSA-N 419.440 0.516 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)OCc2ccc(C#N)cc2OC(F)F)n(C)c1=O 752530869 APYBEAAYSCFDOI-UHFFFAOYSA-N 419.344 0.650 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 753890998 FCVBHJIXHRFILY-AWEZNQCLSA-N 404.442 0.953 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(CCC#N)n1 755546542 MGTLSXQLHLCXNF-KBPBESRZSA-N 415.454 0.919 30 20 HCED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O 756453801 AUPAYHSEGDLNQH-RBUKOAKNSA-N 408.422 0.238 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 758412555 XQVDXHCFJXALJW-MJBXVCDLSA-N 415.516 0.469 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C[C@@H](C)C(=O)OC)cc2)CC1 759379422 LEIHPLRZVOOCNJ-OAHLLOKOSA-N 413.474 0.965 30 20 HCED O=C(NCCS(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O)OCc1ccccc1 767080192 DCSGJMJMSZRPMT-WUKNDPDISA-N 422.463 0.359 30 20 HCED COC(=O)N1CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 771081794 BATKBJBRUAKCAC-UHFFFAOYSA-N 406.464 0.526 30 20 HCED CC(C)c1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCO2 771888782 GVANOSKFWJUPSY-UHFFFAOYSA-N 406.464 0.673 30 20 HCED CCOC(=O)CON=C(C(=O)NCC1(N(C)C)Cc2ccccc2C1)c1cc[nH]n1 772301198 BZDYQNFVZNASER-UHFFFAOYSA-N 413.478 0.909 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)[C@H]1CCCO1 773058045 QOWGTOGPKZWYGQ-DLBZAZTESA-N 401.506 0.959 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)[C@H]1CCCO1 773795884 ZOTKBLPARPWTMS-GDBMZVCRSA-N 423.491 0.571 30 20 HCED C#C[C@@H](NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCO1 775805609 GXZCOORSDSLQFN-MSOLQXFVSA-N 421.519 0.094 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc(S(N)(=O)=O)cn3)C2=O)cc1 778839475 IRJOFUVWEIZRGD-MRXNPFEDSA-N 400.416 0.953 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 782999167 KYHFHMTUCLOYNX-UHFFFAOYSA-N 417.553 0.914 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 783464835 MJWAJJFDJOLBDC-UHFFFAOYSA-N 414.443 0.317 30 20 HCED CN(C(=O)C(=O)Nc1cnn(CC#N)c1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 785282606 JYDAHMQRHDRVHB-ZDUSSCGKSA-N 407.839 0.986 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 786224217 QLUBMYCUGBQXRD-UHFFFAOYSA-N 410.268 0.800 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 786550636 QJERRKGFULSQAX-OAHLLOKOSA-N 422.445 0.158 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787055950 HYXREBCUKUMDDX-MRXNPFEDSA-N 422.463 0.982 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)CC2)c1C#N 788538122 ZPXBJFICOOARDV-HNNXBMFYSA-N 420.477 0.587 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)CC1 789975431 BAEQAJFIJGMQRH-ROUUACIJSA-N 413.522 0.593 30 20 HCED COC(=O)C[C@@H](OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 796932521 DQTBAEVUHPXUQJ-CMPLNLGQSA-N 412.420 0.152 30 20 HCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 802445207 KTGOYEBGWWXPSE-UHFFFAOYSA-N 420.495 0.457 30 20 HCED C=CCNC(=O)COC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803967247 CMDZAICBURZEBH-UHFFFAOYSA-N 404.485 0.646 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CO)CC2)c1 807049409 OUMJJXOSIYLQTH-JWGURIENSA-N 422.507 0.859 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](C(=O)N2CCCC2)C1 807816880 NIBVWAJCHHKDLT-OAHLLOKOSA-N 418.519 0.976 30 20 HCED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2nc(-c3ccoc3)no2)nc1 809173916 PECWRILDGVOFKU-UHFFFAOYSA-N 408.417 0.985 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 810772676 AJMFLVSFBRZCAU-CYBMUJFWSA-N 401.510 0.529 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)cc1 839262366 JOYMRRAOARAIID-UHFFFAOYSA-N 423.498 0.670 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1=O 849086908 FFHJIPFSWLJBBF-JZKQVHKSSA-N 420.514 0.587 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1C(=O)CNC1=O 914620019 KXUOWJGHNPRXTB-ZDUSSCGKSA-N 422.463 0.379 30 20 HCED CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(C)(C)C#N 914944640 MERNKQLQOQCFQP-UHFFFAOYSA-N 408.480 0.786 30 20 HCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 916873440 VQMOKZHZROQLBZ-AWEZNQCLSA-N 418.406 0.960 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)c1 990914250 HUVVVFSGWJFPAD-CFDVNRPPSA-N 407.434 0.083 30 20 HCED CCN(CCC#N)C(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1150011986 DJIOAIMZWSPSBS-UQZKUAJDSA-N 404.511 0.379 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1286960739 PPXGHBGIGYTTMX-AWEZNQCLSA-N 408.528 0.935 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1288526599 WWUKOJGQGSCCFM-ZIAGYGMSSA-N 408.528 0.977 30 20 HCED COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1309650843 PIJDHWFAJSEOEP-QWRGUYRKSA-N 403.254 0.865 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CCO1 1315009797 ZQFCFQALROLQOF-KRWDZBQOSA-N 421.465 0.450 30 20 HCED N#CC1(NC(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CCCCC1 1321671840 VKSGOCYTSWVMDD-UHFFFAOYSA-N 403.527 0.765 30 20 HCED 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CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C 1696824270 SNCWHZLCZFMGNS-UHFFFAOYSA-N 407.482 0.762 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722551493 ZOSOGYHHTCHNSS-RYUDHWBXSA-N 402.908 0.500 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccs1 1723961229 WNWNRLVZYINLOE-NEPJUHHUSA-N 411.513 0.316 30 20 HCED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 1742661911 KBNHXQOOJCECGV-MLGOLLRUSA-N 410.479 0.421 30 20 HCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777999814 VQIHNPCEYQUBAX-JOCHJYFZSA-N 408.458 0.860 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1778969358 ISXZVESDVDPSJE-IERDGZPVSA-N 419.478 0.412 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(C)=O)C2 1779340584 ZMMCNWJXMWMLST-CSODHUTKSA-N 409.527 0.600 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1780223072 AKMDTUNLWYDEKI-GOSISDBHSA-N 417.809 0.143 30 20 HCED 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OAVBZYVPODXNAI-OAQYLSRUSA-N 402.495 0.760 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1841748414 VTPQJAZEMZZETC-GJZGRUSLSA-N 420.510 0.795 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1842001123 YSDVQWRKJQCZED-UHFFFAOYSA-N 424.417 0.945 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1844655377 WUOCSIOASFZGJV-WAYWQWQTSA-N 424.461 0.006 30 20 HCED COC(=O)C12CCC(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)(CC1)CC2 1846195800 DZYAUQHJFITQOP-UHFFFAOYSA-N 402.447 0.791 30 20 HCED COc1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@H]2CCCCO2)n(C)n1 1848341239 PLNWBRFTCQVTBY-MVTFCRCUSA-N 405.455 0.773 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccco2)CC1 15527653 JNKSPFIYPVMHLB-UHFFFAOYSA-N 402.432 0.414 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 25622322 FPLZAPNBSHCSIG-GFCCVEGCSA-N 414.509 0.595 30 20 HCED CCCn1c(N)c(C(=O)CSc2nc(C(=O)OCC)ccc2C#N)c(=O)[nH]c1=O 55336755 YOXDXMPXVAARJX-UHFFFAOYSA-N 417.447 0.947 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 409541717 XJCBRSDWARIRJG-KRWDZBQOSA-N 407.540 0.647 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)CCO1 409594501 JAMLZSNYHCCIFF-IAGOWNOFSA-N 414.915 0.772 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC1 437129413 GEUXRQBHLPUPKU-MUUNZHRXSA-N 403.439 1.239 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)C 440394291 BXIVZXPKCUIMNR-UHFFFAOYSA-N 414.487 0.686 30 20 HCED COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446530965 OOFNFYUXAPKBTN-UHFFFAOYSA-N 418.450 0.495 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 460727151 ODZIFBXDXQFEQU-HNNXBMFYSA-N 407.434 0.656 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1c(C)nn(C)c1OC 461785979 PXARAOIXLKQCCN-UHFFFAOYSA-N 401.423 0.889 30 20 HCED Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)C2=O 465262376 LKIWWSCFWYFZQR-AWEZNQCLSA-N 404.430 0.990 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1CCN(c2ccccn2)CC1 465274220 JOMARVXISQHMEJ-SFHVURJKSA-N 420.521 0.993 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(N4CCOCC4)nc3)CC2)c1C#N 471858837 UMDUQOSELHZSGR-UHFFFAOYSA-N 424.509 0.864 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472105270 BNDRAFZJOZLSHU-UHFFFAOYSA-N 411.532 0.103 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cnn(C)c3C#N)CC2)cc1 475757764 KVWOLWBJDYNNGO-UHFFFAOYSA-N 416.507 0.337 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCC)n2)c1=O 477467990 BHXVJWDYNRCFPN-UHFFFAOYSA-N 416.503 0.379 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c2=O)n1 479364127 LVFDLAZDWMDNDY-UHFFFAOYSA-N 418.544 0.704 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)CNC(=O)c1ccc(C#N)cc1 481161250 CNMZCPBFXSDWFN-UHFFFAOYSA-N 416.459 0.473 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)s2)c1=O 482548428 CDAJTFAJSIEFDB-UHFFFAOYSA-N 400.485 0.225 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3C(=O)[C@H]4CS(=O)(=O)CCN4C3=O)C2=O)cc1 484471288 HWADXRXSXSMSKS-LSDHHAIUSA-N 402.432 0.115 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1C 484569279 KZVGWYCQOSVJIZ-UHFFFAOYSA-N 415.540 0.842 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 487210074 LKQLBXHAXAUMRM-UHFFFAOYSA-N 415.519 0.890 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 499807638 GPJUHZNYYBPZHS-DLBZAZTESA-N 400.435 0.805 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C)c1=O 502054177 XYFJWWCBVRVQQD-UHFFFAOYSA-N 405.549 0.424 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1Cl 503600746 HQMKZYAGRXICMA-UHFFFAOYSA-N 403.870 0.917 30 20 HCED Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 507856994 SEIMUQZGPFPBCS-KRWDZBQOSA-N 400.508 0.911 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)C1=O 508223566 YTJVSZCSWUCUKX-UHFFFAOYSA-N 410.434 0.184 30 20 HCED Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508379397 PZRVAQKIQISFJM-UHFFFAOYSA-N 423.355 0.505 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c(OC(F)F)c1 513639761 FVPPHQLTTGGHJR-UHFFFAOYSA-N 421.425 0.838 30 20 HCED CC[C@H](NC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCOCC1 514018236 QHEHAPXNCQOJIY-IVZHQMGZSA-N 411.462 0.679 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 544212999 XLOLEHMLYJNULB-YOEHRIQHSA-N 418.450 0.274 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 550422987 NOUGIGSXFJOOMW-UHFFFAOYSA-N 411.462 0.888 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 550592013 QWRVOVGVUVHSNX-UHFFFAOYSA-N 405.458 0.639 30 20 HCED Cn1ccc(NCCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 552080840 RDDWBQMIESWOSV-UHFFFAOYSA-N 416.507 0.921 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 552505335 JPFWSRZFXVHNGQ-AWEZNQCLSA-N 411.528 0.847 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 554848703 KEGNUDOBZIXSME-UHFFFAOYSA-N 416.459 0.819 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nccn3C(F)F)CC2)c1C#N 560837354 JOGOCHSSKJCUOA-UHFFFAOYSA-N 406.397 0.157 30 20 HCED N#Cc1ccc(Sc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(F)c1 561203462 SNLAVSZHGHRDLM-IWCJZZDYSA-N 403.395 0.600 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)n(C)c1 561432325 JTYIENZHOKOEMT-UHFFFAOYSA-N 402.480 0.504 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 578414448 GGRRQHOROOLFMW-UHFFFAOYSA-N 406.493 0.694 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CN(C)CCO1 588866401 RNFWUOOHFBMESK-QGTPRVQTSA-N 413.478 0.005 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)CC2)cc1 590420229 JYTXFKHNKJCWEP-HNNXBMFYSA-N 400.464 0.629 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 610782311 MGBOISWNYXPRSY-YOEHRIQHSA-N 421.523 0.145 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 618880934 SOWGWXASQNOGPU-KRWDZBQOSA-N 422.445 0.356 30 20 HCED C#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 725716381 SLUGSMXGRKCWCV-UHFFFAOYSA-N 423.535 0.930 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 731129233 QSEHAHGAXCBNLN-UHFFFAOYSA-N 401.444 0.742 30 20 HCED COc1cc(OC)cc([C@@H](O)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 735692304 JFAAFAQAOXLEJQ-INIZCTEOSA-N 419.459 0.592 30 20 HCED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NC(=O)NC1CCCCC1 741343504 UTFVBZXWECTJRW-UFZXGQNFSA-N 406.439 0.993 30 20 HCED C#CCN(CC#CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 742003463 SFGFVLVBJWECAF-UHFFFAOYSA-N 415.515 0.785 30 20 HCED C[C@H](CC(=O)N1CCN(CC(C)(C)O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742644893 YYBHVAPIMIKOPK-CQSZACIVSA-N 408.524 0.419 30 20 HCED Cc1ncsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(C)C)c1=O 743728959 UACGYLMWDKITBG-UHFFFAOYSA-N 418.544 0.693 30 20 HCED CCc1c(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754349674 ADNGMDHUHPLSFV-MRXNPFEDSA-N 421.413 0.450 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(CCO)CC2)c1 764064497 NOTMBGWMFIFNBL-LVZFUZTISA-N 409.512 0.641 30 20 HCED COC(=O)C[C@@]1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCCOC1 771649518 LHXMIBSIWHGOJO-SFHVURJKSA-N 409.464 0.639 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccccc2N2CCCCC2)c(=O)n(C)c1=O 771888523 DEPFBPAVRJJUCD-UHFFFAOYSA-N 405.480 0.387 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 772276227 BHGCOTXURZUDBN-UHFFFAOYSA-N 413.499 0.655 30 20 HCED COc1cccc([C@@H](O)C(=O)NCC#CCNC(=O)[C@H](O)c2cccc(OC)c2)c1 773790006 FPOASSRMTAVILA-WOJBJXKFSA-N 412.442 0.707 30 20 HCED C=CCOc1cccnc1C(=O)NS(=O)(=O)c1cccc(-c2nnnn2C)c1 775235789 XHOCQDKSHFDGNS-UHFFFAOYSA-N 400.420 0.956 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC1CC1 778492348 NSQZRUFGQFHBTC-OAHLLOKOSA-N 406.508 0.926 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)CC1 778735747 SCLGJQQKXFPUBV-QGZVFWFLSA-N 411.424 0.893 30 20 HCED C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 780205922 PNFAOUAYWSOVNF-ZBEGNZNMSA-N 403.416 0.809 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCOC3)c2=O)cn1 781659376 BAARXFVJZRNUDM-AWEZNQCLSA-N 412.515 0.942 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787747852 RTXPWNSCXKWNSB-STQMWFEESA-N 404.448 0.719 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)c1C#N 788108863 BLEADFOSLLEDND-UHFFFAOYSA-N 422.898 0.863 30 20 HCED CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 790008796 PXDOYKOOLNRCNJ-UHFFFAOYSA-N 416.481 0.781 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CCO[C@@H]1C 790258270 CJRXCWSHRLIFPT-FRIZHTMISA-N 409.508 0.796 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 791481891 FZXBSYBWYSUPRN-GOSISDBHSA-N 403.508 0.971 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 798037053 VDRUGQNICVBICT-GWCFXTLKSA-N 410.272 0.990 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 798037062 VJAXGBSRIWKDPG-TZMCWYRMSA-N 420.543 0.994 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)[C@H]1CCCO1 803132321 YIAUVYNUBWSYAV-GBESFXJTSA-N 413.474 0.509 30 20 HCED CC(C)[C@@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 807451548 OWPLOTIBZDEZFP-PFKVCDDJSA-N 424.523 0.819 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC 810780174 RWCSPUKLDQVUFB-UHFFFAOYSA-N 404.448 0.867 30 20 HCED C#CCNc1nc(NC[C@H](O)c2ccccn2)nc(NC[C@@H](O)c2ccccn2)n1 811828033 XVKGIPKEZCMJPV-CALCHBBNSA-N 406.450 0.998 30 20 HCED CNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 813726324 VBXUVIGTRRRWHT-ZFWWWQNUSA-N 408.480 0.962 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)CC2)cc1 815887146 VJTURADZKUJUJR-OVFHLDOESA-N 422.507 0.811 30 20 HCED CCN(CCC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 917253259 ZXLGQQNNGGOZIR-SFHVURJKSA-N 406.464 0.619 30 20 HCED Cc1cccc(C(=O)NCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 918384982 YGPMRDQHURQPJB-UHFFFAOYSA-N 400.460 0.580 30 20 HCED 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0.309 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779814182 NZSWYHXUEAXKOY-IBGZPJMESA-N 420.901 0.855 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)NCC)CCO2 1781270550 ODLARQNUDCBBKT-YWZLYKJASA-N 424.498 0.033 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3c(c2)CCNCC3)C1 1781522679 JKWXJVCJIZCDHI-DENIHFKCSA-N 411.506 0.811 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3nccc13)C2 1782015264 HMDRYGYIXQNROZ-DYESRHJHSA-N 410.430 0.550 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(F)ccc(O)c1F)C2 1782015290 ITKYESVTODYINZ-JLTOFOAXSA-N 422.384 0.886 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782547764 UKDQZTZDYGFXAC-RZQQEMMASA-N 402.451 0.121 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(C)=O)C3)C2)c1 1783144014 HRTMKYAORNLBMK-FQEVSTJZSA-N 400.435 0.146 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@@H]1OCCc3ccccc31)CCO2 1783557268 DOVQNFZZTXVISL-PGRDOPGGSA-N 412.442 0.608 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnccc1C(F)(F)F)CCO2 1783561380 ONZVIFRXLNPJSM-QGZVFWFLSA-N 411.336 0.632 30 20 HCED C[C@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccc(C#N)c3)[C@H]2C1 1783915622 HPAMYGNJXSBGRW-KNTRFNDTSA-N 412.490 0.605 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnccn3)[C@H]2C1 1784248512 KAOLVADERQKRSC-LAQRGFTBSA-N 403.483 0.800 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C)C[C@@H]21 1788573701 HBZSQGWYHVAZND-QUSNUVHPSA-N 407.511 0.160 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cocn3)C[C@@H]21 1788657561 ADEUVZWAYXQONF-FLAGSJHISA-N 406.439 0.797 30 20 HCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(CCO)CCO)[C@H]2C1 1790907633 ZTTYVYJZENGZHS-UFYCRDLUSA-N 423.554 0.021 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CCN(C)CC1 1792606760 GTEDSPFRHWUJGX-AJYBTWMASA-N 407.555 0.881 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCNC(=O)OC(C)(C)C 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LECYWRCJIJRCQA-LPHOPBHVSA-N 409.508 0.812 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1831498907 RISBJUUBWIWMLS-VQIMIIECSA-N 409.508 0.812 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)no1 1831499309 TZSBIXFJBCOZGO-MJGOQNOKSA-N 411.524 0.936 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sccc3F)CCO2)C1 1831913242 UGLCWNXCRLVQFA-AUUYWEPGSA-N 410.467 0.996 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CCC1 1832782109 JLKNPHXUVFYCBA-HOTGVXAUSA-N 415.494 0.898 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCC(=O)OC)CC2)CC1 1833464670 MMFYZGCWIJEKSF-INIZCTEOSA-N 407.511 0.550 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2)C(F)(F)F 1834197023 DZPJGDCFTSGBDL-KRWDZBQOSA-N 415.368 0.976 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835840468 UBTNSNCKSWPOQH-DYVFJYSZSA-N 414.553 0.750 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836158308 IBTICCCHOVZXAG-DYESRHJHSA-N 418.494 0.881 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457274 MEKKPYSZFKFDFJ-KPZWWZAWSA-N 405.480 0.346 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837289711 UOCLDFZXCMPYHS-JYLXEMOASA-N 403.523 0.587 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1837565262 PQDJYXFIBYUKAN-YUSOBQLHSA-N 415.450 0.121 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837970840 YVGIPQDYFWOWLM-FOIQADDNSA-N 423.466 0.643 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1839261304 URQDQWSCGSZSFL-FQEVSTJZSA-N 404.394 0.292 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1839840099 WTSNKEFJVRJEII-YWZLYKJASA-N 404.467 0.767 30 20 HCED Cc1c(F)cccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040523 PHECWLNBEADHIY-FQEVSTJZSA-N 404.394 0.292 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CCC(CC3)CC4)C2)C1 1840044434 XDZOSYAUXSULDK-VYHPPPRESA-N 404.463 0.501 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840159151 XHTJWQQTOZQVQC-HNAYVOBHSA-N 413.540 0.164 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323401 FZONAFVRLOPRSO-UZLBHIALSA-N 406.483 0.390 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(F)cn4)C3)C2)CCC1 1840812605 AMBVZOUTNCEVEN-NRFANRHFSA-N 416.453 0.913 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845228703 GGBSQEAOFLANHC-HOTGVXAUSA-N 423.510 0.504 30 20 HCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846197449 NNKUBSQDALCUAU-UHFFFAOYSA-N 419.478 0.925 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1846366234 BXZUGBUEHCUAQG-STQMWFEESA-N 401.529 0.784 30 20 HCED CNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662155 SJWJPOXMHUNHKO-GFCCVEGCSA-N 422.463 0.346 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 46742675 QGAIYWMGCZRVOR-UHFFFAOYSA-N 416.478 0.921 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CCO1 409542282 GGLRZEUNPBWVSC-MSOLQXFVSA-N 404.492 0.505 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O 410117872 GNMZGCMUUNEDTB-KRWDZBQOSA-N 410.496 0.493 30 20 HCED C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 427706063 LEAHNWPOIZHTMI-OAHLLOKOSA-N 420.491 0.313 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)C1=O 440266788 CTDUVPDOJOCCQM-KRWDZBQOSA-N 414.462 0.406 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)c(C)c2)c1 443908280 OLCOZMHHZIORQM-UHFFFAOYSA-N 422.488 0.692 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 447369509 UXQNYUPXWSXTEF-HNNXBMFYSA-N 423.491 0.948 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 460726584 MWJHBHFFBVDIGG-GFCCVEGCSA-N 407.438 1.505 30 20 HCED N#Cc1cccc(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 467776777 NOQFWTOQIDMCCF-MRXNPFEDSA-N 412.471 0.917 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)n(C)c1=O 468657456 GCUNHEULWFXYBT-JLTOFOAXSA-N 414.466 0.278 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(N2CCNC(=O)C2)ccn1 469203077 KJLGSZPFDKIVIA-AWEZNQCLSA-N 406.450 0.030 30 20 HCED Cn1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)cn1 470018910 RGONWDFEWWJYOO-UHFFFAOYSA-N 402.480 0.574 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)CC1 475709564 LUWPRHJBTVTSJW-UHFFFAOYSA-N 410.478 0.316 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1C 478843654 POHYZPDNOWTMOW-UHFFFAOYSA-N 407.499 0.970 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccccc1F 480668664 MAEGKWITWIYIQP-CYBMUJFWSA-N 418.450 0.910 30 20 HCED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1=O 484422129 LFNQPSMCIZBANS-INIZCTEOSA-N 406.446 0.976 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2sccc2C#N)C1=O 484667972 KCLMCJFKOIXLLY-ZIAGYGMSSA-N 410.521 0.350 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 498607006 PUKIVJIVUBCNGA-UHFFFAOYSA-N 421.523 0.161 30 20 HCED N#Cc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)nc1 502083159 NHDCHARRWBUTPC-UHFFFAOYSA-N 417.447 0.730 30 20 HCED CCS(=O)(=O)NCCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 503238839 CEUWHQFRSHQNGV-UHFFFAOYSA-N 419.511 0.497 30 20 HCED C=CCNc1nnc(SCC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)s1 504997924 GIHKQKGFLDWMRY-NSHDSACASA-N 406.555 0.890 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 506215603 OYFHKAZPBBDKEN-LBPRGKRZSA-N 403.913 0.705 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)Cc3c(C)noc3C)CC2)c1C#N 506828109 SCVCAWFWHLJTGN-GFCCVEGCSA-N 413.482 0.601 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C 507828548 GSUOGMXAVJFHHL-CQSZACIVSA-N 403.512 0.619 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508646704 GLUCVYZKABMEHE-SJORKVTESA-N 419.507 0.777 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)c1 516618308 BTFJCGNTEFWDMH-UHFFFAOYSA-N 405.414 0.562 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)NC3CCCCC3)CC2)C1=O 524652805 BNJMUZIWGCMEBV-UHFFFAOYSA-N 405.455 0.150 30 20 HCED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1=O 532995353 JINQQPLFSDZIQG-CQSZACIVSA-N 410.434 0.974 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1 537068443 CLQVWNVHHKMIJV-JKSUJKDBSA-N 402.451 0.293 30 20 HCED COCCCNC(=O)CN(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 538360388 LEYDTJJPBPARSD-IBGZPJMESA-N 419.501 0.619 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 540016812 DDIOFNAUIRZEJB-AWEZNQCLSA-N 408.480 0.824 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO 540453292 BZHZBQCSASNPDE-YPMHNXCESA-N 423.413 0.359 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(C)=O)c(Cl)c2)CC1 542129938 WMIJZKKQGMEJSN-UHFFFAOYSA-N 406.870 0.928 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 544335721 GWNRNCONKUPLAA-UHFFFAOYSA-N 411.418 0.574 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 556409235 AAZCHYMOHNHVSE-CQSZACIVSA-N 409.464 0.415 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)NCCn3cnc(C#N)n3)cc2[N+](=O)[O-])CC1 557111583 PUJRLPXAFUYYNW-UHFFFAOYSA-N 412.410 0.156 30 20 HCED CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 560271178 LUPABLBXMVBVIN-CYBMUJFWSA-N 411.466 1.055 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN(C2CC2)S(=O)(=O)c2ccc(C#N)o2)o1 561504532 BCMCMBJRYPCTKL-UHFFFAOYSA-N 410.433 0.748 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c(C)[nH]c3ccccc23)CC1 562862371 AEJNPSHINMSSDN-UHFFFAOYSA-N 411.506 0.581 30 20 HCED COC(=O)c1cc(C)nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 564479848 DBFOIRIAUVZXQW-UHFFFAOYSA-N 401.448 0.954 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 567269868 BAJPHEJQJCZHQL-RDTXWAMCSA-N 424.379 0.696 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)NCCNS(=O)(=O)Cc3ccon3)C2)c(F)c1 569834873 IGKCINJFEFRDCK-AWEZNQCLSA-N 421.454 0.747 30 20 HCED C[C@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 572516988 VKKUYHINZKHJKF-YJBOKZPZSA-N 413.478 0.007 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 578290611 MKADJUYZYRVMKY-UHFFFAOYSA-N 410.908 0.138 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 579289850 OKHNOJOYOOBOJQ-MRXNPFEDSA-N 401.515 0.443 30 20 HCED C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1nnnn1C 581774882 YRPBCSILCCXZTQ-UHFFFAOYSA-N 416.515 0.974 30 20 HCED Cc1cn2c(n1)CN(C(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 588865695 FDTAJMHEHZROAV-KRWDZBQOSA-N 406.446 0.717 30 20 HCED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866585 MSKXWQOMMCGTLP-CZUORRHYSA-N 407.434 0.365 30 20 HCED Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589471092 JLOYASYATLGHCQ-INIZCTEOSA-N 403.464 0.777 30 20 HCED N#Cc1ccc(N2CCN([C@@H]3CCOC3)CC2)nc1N1CCN([C@@H]2CCOC2)CC1 618156483 MYWFJYDTPVJHLI-WOJBJXKFSA-N 412.538 0.775 30 20 HCED Cc1nn(-c2ccccc2)c(Cn2cnc3c(c(S(C)(=O)=O)nn3C)c2=O)c1C#N 618652639 CIJSWXSGGDKRJX-UHFFFAOYSA-N 423.458 0.948 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cn1 618880945 STUDPOICXMJEGK-KRWDZBQOSA-N 410.434 0.260 30 20 HCED C=C(C)CN(CC)C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 661213777 DAZNJINKJBLOHU-UHFFFAOYSA-N 423.495 0.305 30 20 HCED C#CCOc1cccc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 730403193 XQQVRVKMDWZNMJ-HNNXBMFYSA-N 404.444 0.907 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1 732781382 QMANJBFTHMFHDA-KRWDZBQOSA-N 404.536 0.496 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1 733364237 BMBZJSWQPXZHDF-UHFFFAOYSA-N 408.861 0.493 30 20 HCED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC(=O)NCc1ccccc1 741344904 SQXNMMSCZIHJRB-ISLYRVAYSA-N 400.391 0.472 30 20 HCED C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 741667949 XWMGLIFMUVXMPO-IAGOWNOFSA-N 421.519 0.810 30 20 HCED N#C[C@@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCN1Cc1ccccc1 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HPODZTFYNKIVLT-DBXWQHBBSA-N 424.542 0.586 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1839224655 WMLUOLVLJZXWAP-UZLBHIALSA-N 404.467 0.953 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839240302 URNCBBUWAHXDRU-FQEVSTJZSA-N 401.467 0.329 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(C)c3)CCO2)C1 1839307029 AORPJFRQXOZKGU-VGOFRKELSA-N 416.474 0.809 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncnn4C)C3)C2)c1 1839451184 DOTQMHXGCNIFSM-OAQYLSRUSA-N 424.461 0.379 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nc2nccn12 1839549988 PPXHSRUBBWBLMV-IFXJQAMLSA-N 419.507 0.426 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839634082 BMICHQYROMDZKJ-GHTZIAJQSA-N 411.462 0.123 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c[nH]c4cc(OC)ccc34)C2)C1 1839806745 XGTVGWVLBRMNDC-JOCHJYFZSA-N 411.458 0.809 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1839809000 AZCAKCSFEFVJEI-FQEVSTJZSA-N 406.410 0.546 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840161013 BTCSKZHDVRGTHX-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1840167142 ZJAOOIIWOWBILT-FQEVSTJZSA-N 402.451 0.359 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1840167143 ZJAOOIIWOWBILT-HXUWFJFHSA-N 402.451 0.359 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840877310 PGBLJDYDNSUSEB-UWJYYQICSA-N 424.494 0.379 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1841607421 MHRUGEXRUYXHED-KGLIPLIRSA-N 416.478 0.787 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1841747813 NDSZTSJVZJWSCI-CABCVRRESA-N 408.499 0.794 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1843329422 VOWPWIOBFMWCSE-ZTYNIRBVSA-N 401.492 0.928 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)no1 1844314360 AXTKTZSANACBSW-ZVBGSRNCSA-N 413.434 0.628 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cc(Br)ncc1F)C2 1846195683 SAEDHWIQYVWYDE-UHFFFAOYSA-N 410.199 0.888 30 20 HCED COC(=O)c1ccc(OCC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc1 1846197458 PMQMFILUEVKIMM-UHFFFAOYSA-N 400.387 0.143 30 20 HCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846534655 NCFYNBBGRWPRPU-HNNXBMFYSA-N 416.482 0.963 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 15482492 SNSPQGNWQPVZPJ-UHFFFAOYSA-N 405.398 0.641 30 20 HCED CCN(CC)C(=O)CSc1nnc(SCC(=O)N[C@](C)(C#N)C2CC2)n1N 26096964 MIVQPLOECIDRKF-MRXNPFEDSA-N 411.557 0.853 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(NS(N)(=O)=O)c2)cc1 52304341 JKOLPIVXESOWBU-UHFFFAOYSA-N 408.461 0.727 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 144486672 AYFNKFMYIYRGMU-UHFFFAOYSA-N 410.430 0.721 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 409500235 JOUAQMBTHBTMEP-SJLPKXTDSA-N 408.524 0.772 30 20 HCED C=C[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 426851743 SXCNJMRIPSMTML-PWSUYJOCSA-N 423.413 0.281 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCn3ccnc3C2)cc1 427047059 SBTLOGNLIQEZEK-OAHLLOKOSA-N 417.491 0.759 30 20 HCED N#Cc1c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)sc2c1CCCC2 428803772 RUJNJJNTUYOKOY-GFCCVEGCSA-N 401.492 0.470 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCS1(=O)=O 429867262 LJRIVUSGOZRHSX-GFCCVEGCSA-N 419.438 0.857 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCS(=O)(=O)C1 433638384 TYDFURHCSCCHAN-SNVBAGLBSA-N 401.391 0.991 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433893064 DQNSRTMCPWKSDP-UHFFFAOYSA-N 412.443 0.146 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 437477857 UVESOXZLAPDEHZ-CXAGYDPISA-N 415.537 0.760 30 20 HCED C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 438873337 BLSUVFLOQQIUOI-AWEZNQCLSA-N 407.496 0.370 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]3[C@H](O)C(F)(F)F)n2)cc1 440130353 YLLSEQVAZZKAMR-KGLIPLIRSA-N 422.367 1.051 30 20 HCED CCOC(=O)c1cc(NC(=O)C(=O)N2CCC(C#N)CC2)cc(S(C)(=O)=O)c1 440418762 BHVPEHVQBMDJQB-UHFFFAOYSA-N 407.448 0.967 30 20 HCED N#CCCN(C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc2c(c1)OCCO2 463502127 PMDPUYFHCATBPI-LTDCPUDJSA-N 411.414 0.867 30 20 HCED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1=O 467202248 RCIGVQATEMXERP-UHFFFAOYSA-N 404.423 0.392 30 20 HCED CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@@H](C)c1ccc(C#N)cc1 467294743 CQNFAPRXOAESQE-LBPRGKRZSA-N 403.464 0.873 30 20 HCED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(CCS(N)(=O)=O)CC1 471032281 XFACPTDEAYKERJ-HNNXBMFYSA-N 411.503 0.367 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCC(N(C)C)CC3)cn2)C1=O 478618986 YYEKMRVKCGHBQA-UHFFFAOYSA-N 414.466 0.527 30 20 HCED CNC(=O)c1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480227594 QIPFUAXOVISKCB-CYBMUJFWSA-N 400.460 0.901 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 480528906 SJVZIBVVQXUIKX-PBHICJAKSA-N 418.519 0.990 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)cn1C 483512376 IXUVGPJDJRHAKG-UHFFFAOYSA-N 408.528 0.378 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 489009504 IWFZTBQDRYNZJG-GOEBONIOSA-N 411.483 0.592 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21 490265517 AHZMLRLSXZVBTF-INIZCTEOSA-N 418.413 0.437 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)C(C)C)c2)CC1 491035277 LWWNFWSOGPDBJS-UHFFFAOYSA-N 415.494 0.666 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cscn2)c1=O 497576791 RQDLVHIKTOHJKQ-UHFFFAOYSA-N 418.544 0.918 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)nn1CCC#N 505019180 CEISTQNZBFZGQM-HNNXBMFYSA-N 402.455 0.141 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 512642661 RKPKDNDOWDPGMA-GOSISDBHSA-N 405.524 0.830 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 516919604 MMDFAAUEKZCWPX-RBUKOAKNSA-N 414.506 0.363 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1=O 521758101 AIWNKFUSAYMXEF-NSHDSACASA-N 404.810 0.538 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(SCC(=O)OCC)s2)C1=O 522727809 AKGRHYWFEDTGGM-UHFFFAOYSA-N 413.437 0.109 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cnn(CC)c1 523580953 MFELPEFVRFDLOS-UHFFFAOYSA-N 422.514 0.930 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 525093901 LNXIPQWRUQVRRU-UHFFFAOYSA-N 412.450 0.902 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 525847018 LTGXZCXKDHUOKS-UHFFFAOYSA-N 409.406 0.119 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(CCC#N)n1 530520324 BIEKNKAZTFIBJO-UHFFFAOYSA-N 409.454 0.306 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 531710554 YHGYQWBIBYKZPW-GDBMZVCRSA-N 423.491 0.796 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 538166232 NTWHUHBZVDNOHG-GFCCVEGCSA-N 400.439 0.788 30 20 HCED N#Cc1c(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc2ccccn12 542047473 SKEBPBDTCPBPHN-UHFFFAOYSA-N 400.420 0.409 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)Nc1cnn(CC(=O)NCCO)c1 543349972 RIZIGSYUOTWNGI-UHFFFAOYSA-N 402.411 0.532 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCS(=O)(=O)CC3)n2)c(Cl)c1 543933550 PARUQUBGRXOJSF-UHFFFAOYSA-N 421.866 0.983 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 553768561 UQLLPCXCBHVDQW-RHSMWYFYSA-N 410.492 0.683 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)c1C#N 555073487 FETGPTODXBGUOK-GOSISDBHSA-N 402.480 0.692 30 20 HCED CN(C)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 561219606 IFOUUEWFCSDGCC-INIZCTEOSA-N 404.540 0.756 30 20 HCED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 569679880 UGEUVXAHZOJNLL-UHFFFAOYSA-N 408.480 0.654 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(NC(C)=O)c2)C1=O 570312524 TTZLNCGWYGVZEV-INIZCTEOSA-N 402.451 0.515 30 20 HCED CS(=O)(=O)NCC[C@@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cn1 580856692 ROWVSHOSLKRQHB-HNNXBMFYSA-N 400.526 0.521 30 20 HCED Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1S(C)(=O)=O 581042462 JCYBGOLYVJFUFL-UHFFFAOYSA-N 421.500 0.865 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 583637162 DIJHFMPGBUSBIM-JKSUJKDBSA-N 415.469 0.909 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ncc(C#N)cc2C)c1 590224242 QZQAANPOROLULG-LBPRGKRZSA-N 401.448 0.927 30 20 HCED COc1ccc(C(=O)N[C@@]2(C#N)CCSC2)cc1S(=O)(=O)N1CCOCC1 603887679 ZHDHVVNGLVORMY-QGZVFWFLSA-N 411.505 0.845 30 20 HCED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 609992188 ADQORGCDCMKXPZ-UHFFFAOYSA-N 418.269 0.643 30 20 HCED COC(=O)Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 616499666 RQDZYQAXTIHFRX-GFCCVEGCSA-N 402.432 0.974 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 679753575 WDMHFFUSNQMMKO-UHFFFAOYSA-N 424.482 0.725 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O 726042151 DXNYFIKJBGNUTN-UHFFFAOYSA-N 404.766 0.670 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc(-c3cccnc3)nc2O)CC1 728530855 WGXAHQFXJLLURE-UHFFFAOYSA-N 422.489 0.379 30 20 HCED C#CCN1CCC(C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 729975716 RFNADIVYTYSZKC-AWEZNQCLSA-N 406.508 0.383 30 20 HCED Cc1ccc([C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCOCC2)o1 732442296 UXYJZEOIOJMZNV-MJWGMMHASA-N 417.466 0.787 30 20 HCED COC(=O)COc1cccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 734669124 QRLJMDKDVBJZBZ-ZCXUNETKSA-N 402.407 0.564 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)c2ccc(CCNS(C)(=O)=O)s2)CC1 735936953 AWKYDNARWKNOSP-UHFFFAOYSA-N 412.533 0.911 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c1 742180571 XGFIICYMOYDNAZ-CQSZACIVSA-N 402.519 0.158 30 20 HCED COCCn1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1 743440420 MXLDFMNAEFNEGY-UHFFFAOYSA-N 407.500 0.307 30 20 HCED COC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)[C@@H](C)C2)cc1 746384133 FSQDRERPJIAEHG-AWEZNQCLSA-N 410.434 0.869 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2cnnc2C1 746601161 KLMZWIZGYRVTNY-CQSZACIVSA-N 402.480 0.918 30 20 HCED CC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 752769825 ZSZOXRXOKKJJNX-HIFRSBDPSA-N 422.507 0.257 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 756893580 VQIAXBQXWKMNGX-WHOFXGATSA-N 421.479 0.592 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 757301655 ZBOAFGGNVYDOJM-GXTWGEPZSA-N 411.455 0.610 30 20 HCED C#C[C@@H](CCC)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760528509 CLSVCDQXCBMXDJ-DZGCQCFKSA-N 423.491 0.288 30 20 HCED O=C(NC1CC1)N[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 761022885 AZVUAHZRYFFMMF-ZDUSSCGKSA-N 405.480 0.178 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SCC=C)CC1 761031717 UXOQNRDQFOGNCS-UHFFFAOYSA-N 408.549 0.988 30 20 HCED CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 764891462 UGNDITPZAUMUBE-HIFRSBDPSA-N 408.480 0.962 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@@H](C#N)C1 766832746 WOMWDMFOSOLEIC-AWEZNQCLSA-N 416.500 0.515 30 20 HCED Cc1c(NC(=S)NN=Cc2cn(CC(=O)O)nn2)c(=O)n(-c2ccccc2)n1C 768475929 FOOJGZURQKKQAC-UHFFFAOYSA-N 414.451 0.481 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 768926744 XRPREXILDCYTMV-UHFFFAOYSA-N 408.296 0.894 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2ncnc2C1 771626236 ICEVOISQCLQFKA-AWEZNQCLSA-N 402.480 0.918 30 20 HCED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NCCNc2ncccc2C#N)nn1 773269737 OBHOOTNBOHZRNA-UHFFFAOYSA-N 405.422 0.713 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 774011761 GMKMPKDTWVBJSW-GDBMZVCRSA-N 408.426 0.649 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(N(C)C)CCCCC2)n1 774809588 IVYLZEMNXAEHCC-UHFFFAOYSA-N 403.527 0.872 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 776117810 YEMJTBGTXXDXBI-UHFFFAOYSA-N 401.466 0.071 30 20 HCED Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2cnn(C(C)C)c2n1 777317592 DTEVREMGFLAKRX-CQSZACIVSA-N 403.464 0.900 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)c1 783454567 GQTWCIBWJAAISJ-UHFFFAOYSA-N 408.414 0.568 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(CN(C)C(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783480456 QKZAEQVOEFMBBY-INIZCTEOSA-N 421.475 0.472 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c[nH]1 786898620 GESOQRHEYPGIQB-UHFFFAOYSA-N 420.422 0.715 30 20 HCED Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)NCCNc3ncccc3C#N)cn2)n1 787488260 GHHLBAUFDWOISI-UHFFFAOYSA-N 418.461 0.995 30 20 HCED C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C1CC1 791928068 OBWNQCBEWDMYQT-LLVKDONJSA-N 403.468 0.704 30 20 HCED CC(=O)N[C@](C)(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccc(S(C)(=O)=O)cc1 797514264 AYDORPIYXDRYCL-DJJJIMSYSA-N 423.491 0.745 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)NC1(C#N)CCCCC1 800234505 NRRSHNUDROCCHS-CYBMUJFWSA-N 408.480 0.821 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)cc1 808077954 OZFCGWSBRADELX-MRXNPFEDSA-N 416.503 0.383 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]32)n1 809527430 SMUQMWQKRMQDIX-IXDOHACOSA-N 422.576 0.987 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 810780300 XPNFKGJOCILTGR-ZDUSSCGKSA-N 404.535 0.927 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 815861217 XNCHEQHNVDBQHA-UHFFFAOYSA-N 408.524 0.773 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(O)C2=O)(c2ccccc2)CC1 820476836 QKZAVFKJMYOMIT-INIZCTEOSA-N 409.508 0.866 30 20 HCED Cc1c(-c2noc(CC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(O)nc(=O)n1C 904900141 UZXKOHSDBLDREY-UHFFFAOYSA-N 416.419 0.126 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnn4c3OCCC4)C2=O)cc1 1189888521 JSEJDIMVGHAZFD-OAHLLOKOSA-N 401.448 0.617 30 20 HCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1=O 1213424378 JBTCDORNIHLEOZ-HNNXBMFYSA-N 414.915 0.669 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC(F)F 1290865049 JPGVHELQQUAGKO-LLVKDONJSA-N 405.413 0.345 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@H]1C 1316102471 WFLPDSSIZHQEKW-ILXRZTDVSA-N 412.516 0.558 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1359151270 QGEZQZNYTLXZCX-OLZOCXBDSA-N 416.891 0.092 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)c(F)c2)s1 1451466988 TZLDKZCOOZRLTI-UHFFFAOYSA-N 424.479 0.990 30 20 HCED N#CCc1ccccc1S(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 1464288351 ASYCRRIOMMHWIV-UHFFFAOYSA-N 420.516 0.911 30 20 HCED Cn1c(SCC(=O)NCc2ccc(C#N)cc2)nnc1[C@@H]1CCS(=O)(=O)C1 1472963514 XRCOTWNFJALEIU-CQSZACIVSA-N 405.505 0.997 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1519207175 MNEAPAUUWSZHFN-UHFFFAOYSA-N 407.482 0.762 30 20 HCED CS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1519524460 WFGPNMHSNZDPBL-UHFFFAOYSA-N 403.468 0.710 30 20 HCED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1541810306 PJRHUIPTAVLWKD-CQSZACIVSA-N 411.466 0.376 30 20 HCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cn[nH]c2)CCO1 1555995738 SGZBNFCKJSKSNR-CQSZACIVSA-N 412.479 0.964 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1596822824 OAOQOKASMSFWOB-RDBSUJKOSA-N 409.516 0.107 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(N2CCNC2=O)cc1 1598134412 YPZYHPSVKSAAKM-UHFFFAOYSA-N 413.459 0.571 30 20 HCED CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1616033896 XGCGZRPOBHSHSI-QWHCGFSZSA-N 400.505 0.432 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1618840324 OKGGVDUMOCAQBJ-QGZVFWFLSA-N 403.443 0.808 30 20 HCED CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 1622059303 ORFBTWBPOVKJJR-UHFFFAOYSA-N 408.299 0.490 30 20 HCED N#Cc1cn(CCNC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c(=O)nc1O 1628738365 OMQLLTMAYVYAQF-KRWDZBQOSA-N 412.450 0.193 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCCC2=O)C1 1635946252 QOFJFKZBCHVRAM-INIZCTEOSA-N 418.519 0.973 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(CC(=O)Nc2sccc2C#N)CC1 1654452285 QOSNDKGSHZAXAR-UHFFFAOYSA-N 405.527 0.148 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1705754914 IHFUDABVBLESDF-ZDUSSCGKSA-N 401.920 0.991 30 20 HCED CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710872408 VKGGXLRNJIOTLS-HNNXBMFYSA-N 423.543 0.028 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891349 BSKGTJIFGYZNNP-QGZVFWFLSA-N 422.400 0.905 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779920219 WFGJWJVZPXHDCY-OAQYLSRUSA-N 423.429 0.576 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)cc1)C2 1782009625 QVYJCMUPXMSYSM-DYESRHJHSA-N 416.430 0.373 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1782058232 ASPNMTHRAOFFPC-JOCHJYFZSA-N 421.457 0.567 30 20 HCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cccc(=O)n2O)C3)CCC1 1783124031 NOVZVPWYFWOFCA-IIBYNOLFSA-N 414.462 0.907 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783924592 SFWIRDYHMQRAKZ-VBKZILBWSA-N 424.498 0.161 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[S@](=O)CC)C[C@@H]21 1784503530 CCPRLFZZMREDJC-WKLGKGOUSA-N 400.541 0.716 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(N)=O)C3)C2)c1Cl 1785629732 UDJBJFRQWQZUKD-SFHVURJKSA-N 405.842 0.323 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787013989 HRBKKLBYGBYNFT-XSLAGTTESA-N 403.479 0.419 30 20 HCED CCc1[nH]nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1Cl 1787133072 DJSGZKJQDSLHET-GVXVVHGQSA-N 408.842 0.307 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787431323 FVWBWJATPFJDJU-CYUUQNCZSA-N 420.466 0.054 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1)C(F)(F)F 1787527598 AGSFTXACVABPFU-IHRRRGAJSA-N 405.417 0.857 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504247 OHAPBYKNXXQHPG-IHRRRGAJSA-N 408.528 0.218 30 20 HCED CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788679075 YELGHQGBRMHQJV-FJKQBVSTSA-N 423.535 0.837 30 20 HCED COC(OC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)ccc3F)[C@H]2C1 1790225502 ROGMTCONZVIIMW-QRTARXTBSA-N 405.426 0.910 30 20 HCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)NC)c1ccccc1 1793286249 DBQSJSNMJFKXPB-WEMPKCCASA-N 411.502 0.909 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)OC(C)(C)C 1795339861 OAIDGTAMMZSFNU-GUIRCDHDSA-N 401.529 0.761 30 20 HCED N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)c1ccccn1 1795612981 UGDHHQKJNJBHBN-DGHKDGCXSA-N 414.510 0.143 30 20 HCED N#Cc1ccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](N)CCC(N)=O)cc1 1795973786 BPPUQPZNLLSGSQ-RDGPPVDQSA-N 411.506 0.722 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1cnn2ncccc12 1796277378 HFGZHLVCVJSLKG-GBFHVWRSSA-N 422.445 0.645 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCC(=O)N1)C2 1797728842 LWKQHKSIIVBTFR-AXVVYFOYSA-N 419.598 0.906 30 20 HCED Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)cn1 1797808819 RRICECGHQBYGCY-IBINEDMASA-N 417.466 0.517 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797809741 DGWXCGYNEJTFNB-JQGNBBOVSA-N 411.499 0.512 30 20 HCED CN1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC2(O)CCCCC2)C3)CC1 1797838403 VXMDSZYXFQWVPN-ACDBMABISA-N 416.566 0.571 30 20 HCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1801050325 OZIKZJAQHQSRGX-ICDONNSOSA-N 423.510 0.524 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1802153160 SOTCTRWWSKDSCJ-PDDMAZILSA-N 417.506 0.997 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@H]3CCC(=O)N3)[C@@H]2c2cccnc2)c1 1806817266 ZTNKSCPNMXDBQG-MDZRGWNJSA-N 406.446 0.880 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CCC(N)=O)[C@@H]1c1cccnc1 1810252897 MQWBCXASIVEMSH-TXPKVOOTSA-N 402.495 0.926 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1814976414 MADBVOBLGLUUHP-WCQYABFASA-N 418.523 0.616 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819670225 LDSYWKBIIMDWHS-UWVGGRQHSA-N 406.468 0.732 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1819708794 CYPMKJZNLVZULX-VHRBIJSZSA-N 406.508 0.907 30 20 HCED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2nccnc2C(N)=O)[nH]n1 1822384490 MMVAFTCTXIMTDR-ONGXEEELSA-N 403.468 0.923 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1828089603 NWDTUWASXDUQLU-JTQLQIEISA-N 411.447 0.513 30 20 HCED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1829895989 ICIOJJCTTKPNOS-OAQYLSRUSA-N 404.511 0.478 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829954353 VRFBMDNBPLGXPE-NJNPRVFISA-N 419.522 0.737 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830945701 PPVRERMCOIUVMG-LAUBAEHRSA-N 420.510 0.319 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830965498 UDFLZZZFTGTUIZ-DYESRHJHSA-N 418.494 0.049 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C24CC(F)(C2)C4)CCO3)c1 1831588075 AIVPUHGTWIYGAW-MHJFOBGBSA-N 402.426 0.849 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncc(F)cc4F)CCO3)C2)CC1 1831961773 MVTIVHKTFZZWLA-LJQANCHMSA-N 406.389 0.734 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1832454373 KPHZTPUXKLIYTG-YLJYHZDGSA-N 422.551 0.895 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(C)=O)CC2)CC1 1833093341 BBQRLMGKEXDQED-OXJNMPFZSA-N 420.554 0.511 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C(OC)OC)CC2)CC1 1833389396 BZLCPUCOCPWMCR-QGZVFWFLSA-N 411.543 0.750 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1833430496 YPIQUHNJLFUDRM-FQEVSTJZSA-N 415.450 0.249 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1833478306 IFCKSBHMKFKNBT-FOIQADDNSA-N 405.451 0.368 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c(F)c1 1833627631 DAWQNBIPJMNKJJ-FQEVSTJZSA-N 420.441 0.849 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)on1)CCO2 1834348163 PDCGLDJQAPFBJQ-HXUWFJFHSA-N 421.450 0.562 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cnn1C 1834426686 DYYBWYBKBSUYIW-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834609641 HUOJNLNQHKTIOL-VFNWGFHPSA-N 417.462 0.660 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1834763620 PWOOYYRRKXIHJZ-QFIPXVFZSA-N 424.457 0.782 30 20 HCED CCOc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1O 1834765173 NDZZZLJWUATYQL-FQEVSTJZSA-N 403.435 0.775 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@@H](C)CC)C2)C1 1837393609 WTFHLTYFUWYXSC-IAGYGMIVSA-N 412.527 0.423 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn3C)C2)C1 1837395047 OLRUIQQOOLJSGJ-UWJYYQICSA-N 405.495 0.668 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560286 UYNTXRYRVDHQCZ-RNXLQWHDSA-N 407.467 0.437 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837814584 QADOKLDLXQRGRT-QFBILLFUSA-N 409.508 0.812 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c1 1839451665 IEAWJJNQMSEHLK-NRFANRHFSA-N 409.446 0.974 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)n1ccnn1 1839709797 SNHPXAVQLLUYJT-IERDGZPVSA-N 424.461 0.481 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1840159536 GYJNFGCNSBOFTE-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840161604 UYTHMOPQVIVLLG-KUHUBIRLSA-N 404.492 0.723 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1)C(F)(F)F 1840344257 BFIJYQBVMVHNET-RCAFFNEUSA-N 414.384 0.998 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C(C)C)CCO2 1840623325 FOAAROZOEJGRHW-UIGRODIVSA-N 405.495 0.513 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1840820360 LQGIBDZYRFUGNR-FIKGOQFSSA-N 417.437 0.751 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1840843106 VCYOWWILMXHWJB-HXUWFJFHSA-N 421.881 0.984 30 20 HCED O=C(/C=C\C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)NC1CC1 1844301040 PCPFHBIJPAANKV-IFNYTGRVSA-N 404.467 0.554 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)ccc1F 1845203176 FHYPSXXUXHXVPK-LJQANCHMSA-N 416.453 0.094 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847819773 RBBKCUDJBNGQMO-DDFVIKFVSA-N 415.512 0.398 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 9253855 IUMDXQMAWKEBQL-KKUMJFAQSA-N 405.451 0.907 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 11389548 ULNNRHRQDKPXKD-GOSISDBHSA-N 400.347 0.542 30 20 HCED COCCN(CC(=O)NC1(C#N)CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 11563842 UYRKQSVHAQVKQR-UHFFFAOYSA-N 420.514 0.570 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1 31806884 DGKGYXVJGZDLOQ-UHFFFAOYSA-N 423.472 0.543 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCO1 409485495 OGZYIKFYIREAAB-RISCZKNCSA-N 402.835 0.643 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 409539419 ZEBSLAULZUXAIO-UHFFFAOYSA-N 415.560 0.113 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)CCO1 409579473 FZLSLZLAIOGMBV-CQSZACIVSA-N 413.887 0.855 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 409667724 VLSBJYALWTWSSD-KRWDZBQOSA-N 422.489 0.749 30 20 HCED N#CCCn1ccc(NC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)n1 434222317 HYTOXYOJBSXHDN-CQSZACIVSA-N 408.418 1.326 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 435051908 RTCBHZLAHDKHOT-AWEZNQCLSA-N 409.464 0.231 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 437049967 FKDSCNNFOXDPDP-YJBOKZPZSA-N 421.519 0.957 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H]2C[C@@H](N(C)C)CC[C@H]21 437753499 CBEPULWRVUZLFY-IAAVTCLWSA-N 420.535 0.935 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1=O 440281660 KZNYXIJNCACGKM-GFCCVEGCSA-N 411.256 0.332 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(CCS(N)(=O)=O)CC1 440344437 OJCONCZFODNIRY-HNNXBMFYSA-N 400.570 0.557 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 461314159 ZVAUSFLBSAEANZ-UHFFFAOYSA-N 416.401 0.645 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 463389144 IUBYECPFAXOKFM-CVEARBPZSA-N 415.537 0.741 30 20 HCED C[C@H]1CN(CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 468836955 GFDWBIUJRYJCMU-OWCLPIDISA-N 408.524 0.793 30 20 HCED Cc1nn2c(SCC(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)n[nH]c2nc1=O 485285537 BGFFQMDMNWLPLD-OAHLLOKOSA-N 424.490 0.622 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3c(=O)nc(O)c4ccccc43)C2=O)cc1 486021876 VZPAUEDKNGNZQG-KRWDZBQOSA-N 417.425 0.891 30 20 HCED COC(=O)CCN(C)S(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 486997212 LLBBXNFAGKRKND-UHFFFAOYSA-N 417.491 0.968 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 488327994 WEQWILJDASPHFP-GRDNDAEWSA-N 414.462 0.622 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 491225454 UWJVKPRYLGLEFM-UHFFFAOYSA-N 423.395 0.962 30 20 HCED Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCO[C@@H](C#N)C1 507935923 XNAVUNRUHQRNRF-HNNXBMFYSA-N 402.480 0.995 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(OCCc3ccccc3)nc2)n1 508310773 ZSQBWAJHKYEGQQ-UHFFFAOYSA-N 405.418 0.921 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 509238828 ILODTGLTMOOLIC-HOTGVXAUSA-N 410.544 0.900 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)COCC(=O)NCc3cccnc3)C2=O)cc1 509723792 GTNBIWZNAFIUPQ-IBGZPJMESA-N 421.457 0.898 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNC(=O)c3ccco3)C2)C1=O 513504699 DWUPGOAPEIOPDI-CYBMUJFWSA-N 402.407 0.225 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)C1=O 517632138 VLGXZKUWQZEAMM-CYBMUJFWSA-N 424.404 0.613 30 20 HCED C=CCN(C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 534196393 XKXVUROJWDSYAY-INIZCTEOSA-N 423.491 0.725 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)c1 536131878 UJANHBZOQLBNHW-OAHLLOKOSA-N 401.510 0.305 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 537066228 UVVMKCJYZFSKOR-MRXNPFEDSA-N 402.495 0.704 30 20 HCED Cc1cc(N2CCC[C@H](NC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2=O)n(C)n1 538065626 WAHRNBUQTXUNFH-AWEZNQCLSA-N 412.454 0.628 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 540016772 CXQJUNYGQRPECB-INIZCTEOSA-N 408.480 0.848 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(C)(C)N1CCOCC1 549984809 GQZKDRRHMTVSAN-UHFFFAOYSA-N 415.538 0.675 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 552551041 YSVRYLQSFQRTLM-HIFRSBDPSA-N 414.491 1.003 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 553355384 CFXASFYNOMAOLM-UHFFFAOYSA-N 418.479 0.168 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(S(=O)(=O)NC)CC2)c1 555415027 XQSCKYLYLSUBAH-UHFFFAOYSA-N 401.510 0.305 30 20 HCED COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NCC(=O)NCC#N 557786236 IBWDLXYBMBTQIP-UHFFFAOYSA-N 406.398 0.861 30 20 HCED CN1CCN(C)[C@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 558039884 JBKIXDODCITELC-IAGOWNOFSA-N 416.501 0.144 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)n1 558530199 OZQXAZJRPNECNP-INIZCTEOSA-N 423.477 0.648 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCOc2cccc(C(F)(F)F)n2)C1=O 561655252 VTGAWIRMMSENDI-GFCCVEGCSA-N 414.384 0.841 30 20 HCED COC(=O)[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(OC)c(O)c1 570430146 IJUSLBJFOZFRIM-QGZVFWFLSA-N 405.432 0.945 30 20 HCED 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CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 610384538 IXQDUGQHOZHIEY-LRDDRELGSA-N 410.434 0.939 30 20 HCED C[C@]1(C#N)CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 612109512 YXHOVIDDURLPDW-LJQANCHMSA-N 420.539 0.869 30 20 HCED C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 679819559 PYQGVOQGAQSCJN-BJJXKVORSA-N 402.900 0.765 30 20 HCED C=CCN(CCOC)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 683033969 WQIUITZJFUHAAO-UHFFFAOYSA-N 403.439 0.846 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)C1=O 726042566 JXZSTFAZAJSPBJ-GFCCVEGCSA-N 402.407 0.600 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1=O 726042598 KYCVHPFUHBKBEG-ZIAGYGMSSA-N 401.419 0.815 30 20 HCED Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(C(N)=O)cc2)c1=O 726576150 XGAVEYCKAOCBHW-UHFFFAOYSA-N 404.455 0.375 30 20 HCED COCCN1C(=O)c2ccc(C(=O)N(CCC#N)CCCN(C)C)cc2S1(=O)=O 729343173 JKTHOSCMRPEPIU-UHFFFAOYSA-N 422.507 0.785 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 733148923 OMRCUNKCYWKNMU-SFHVURJKSA-N 404.417 0.742 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(C)CCOC2)c1 733668878 XYNCWCYKUIOJDJ-ODENVGOISA-N 422.507 0.981 30 20 HCED CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737304550 KKRMDNPQCDCAAM-OSEFQUDUSA-N 424.523 0.961 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 743918516 SVNBEJVRBDEEKY-MSUUIHNZSA-N 400.366 0.419 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 745443752 GJXDRPYFNZRIMY-UGYDUONOSA-N 417.462 0.812 30 20 HCED CCc1nsc(N2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)n1 745813121 IMKVAGDHXRTEIM-NXVVXOECSA-N 419.511 0.849 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)CC1 746187211 HKDFRLDBWNYKOR-UHFFFAOYSA-N 408.436 0.152 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)[C@@H](C#N)C1 754378501 GVJYRTQAKRYQRZ-YAYDYNKSSA-N 418.450 0.120 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 754938292 VNCOGAHXFMDOBH-UHFFFAOYSA-N 419.486 0.404 30 20 HCED C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)OCC 755565120 CDNSASVTCQJNAM-CABCVRRESA-N 408.542 0.019 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCO)cc2)c1 765452819 MKOUHYWDBUNZOP-UHFFFAOYSA-N 401.444 0.573 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 767625598 BLVQWUMEUOVQFP-YVEFUNNKSA-N 412.427 0.867 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)c3ccnc(S(N)(=O)=O)c3)C2=O)cc1 772429616 TYOXGVMYSNVKCI-OAHLLOKOSA-N 400.416 0.953 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@H]1CCCO1 773793789 LDEYVBUFLYOSQA-GDBMZVCRSA-N 404.854 0.512 30 20 HCED Cn1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C2CCCCC2)n1 783857214 XHEMNKQOGKVQCF-UHFFFAOYSA-N 408.484 0.178 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1 787673450 ROSPOKVRGDJXHH-INIZCTEOSA-N 405.520 0.923 30 20 HCED CN(C)CCCOC1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787779493 UGFAWWCIJHQOJI-UHFFFAOYSA-N 402.499 0.441 30 20 HCED COCCN1C[C@@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CC1=O 791171278 OAPBTSLTYASDLW-NSHDSACASA-N 411.256 0.664 30 20 HCED COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)C2 797379174 MMYHTJGVGLQNGF-LAPQFRIASA-N 401.419 0.954 30 20 HCED CC(C)(C)OC(=O)N1CCc2c(NC(=O)C(=O)NCC(=O)NCC#N)cccc21 807402954 QJILUBANPACOKW-UHFFFAOYSA-N 401.423 0.679 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[C@@H]1CCCO1 809310807 URBTUBFWWCQICD-SJORKVTESA-N 403.866 0.808 30 20 HCED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cn(C)nc2C(F)F)c1=O 812277453 VYIXNGPYTVSUQU-UHFFFAOYSA-N 407.402 0.561 30 20 HCED C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN(CCC#N)CCC#N)C1=O 917415562 VQBXMUKQUDYJGP-SFHVURJKSA-N 403.464 0.944 30 20 HCED C=CCN1CC[C@@H](N(CCO)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1=O 1089571277 ACKXGJRKMYYVKI-FZWBFHRNSA-N 403.523 0.482 30 20 HCED NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C1 1251902865 UJWQTXACLNWFQL-XAIYEJPOSA-N 411.462 0.645 30 20 HCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1297822533 ISPVIDNLBSDSEF-HOLBHBGLSA-N 416.507 0.809 30 20 HCED CN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1318121080 MUKPIVDWSIMYBN-ZDUSSCGKSA-N 416.297 0.964 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc(C(F)(F)F)n1 1556409510 YGZUVLZKWYYQQV-QMMMGPOBSA-N 403.342 0.943 30 20 HCED CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1615626775 ZJKFFNUYONIHTE-HUUCEWRRSA-N 412.516 0.182 30 20 HCED N#Cc1ccc(-c2cc(N3CCN(C(=O)C4(S(N)(=O)=O)CC4)CC3)n[nH]2)cc1 1644618403 OGCILVANLVQXHM-UHFFFAOYSA-N 400.464 0.418 30 20 HCED COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 1663320147 RKOSTOOPGGZJGW-UHFFFAOYSA-N 419.456 0.665 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cccn1 1692788261 ZRDZEBGPPQKHDF-CZUORRHYSA-N 410.479 0.617 30 20 HCED 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ULQCVSQQGOGWHQ-UHFFFAOYSA-N 410.478 0.695 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(N)=O)cc1 480106263 ALFWWLNWGRDTKZ-LBPRGKRZSA-N 402.432 0.728 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OC 481775036 DDVFZPYRDOWQJF-RHSMWYFYSA-N 416.430 0.936 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)cn1C 482608425 MPEJEIYNPGRUFD-UHFFFAOYSA-N 420.470 0.955 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(N4CCNC4=O)CC3)C2=O)cc1 487163784 SPKJOSQJZUQEKN-SFHVURJKSA-N 410.478 0.858 30 20 HCED N#Cc1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(OC(F)F)c1 498970768 WEHZXNZABIPSEU-CABCVRRESA-N 401.435 0.435 30 20 HCED Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 500730723 SWPWWYDUVJORQE-UHFFFAOYSA-N 404.408 0.347 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C[C@@H]2C)cc1 507438331 CUGCMLSRHAOKQD-HNNXBMFYSA-N 408.524 0.984 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C1CCN(C)CC1 516370796 MEOXXWMCZCFULK-UHFFFAOYSA-N 418.469 0.704 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C1CCN(C)CC1 516826581 ZFFXEDMRPXVWTG-UHFFFAOYSA-N 415.544 0.438 30 20 HCED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 518261570 LENVFFOTYDZEMM-OAHLLOKOSA-N 400.487 0.735 30 20 HCED C=C(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 518935048 QFLOPVNPOWFEFX-UHFFFAOYSA-N 404.515 0.560 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 522018518 XTUQRZWXRAIZNU-UHFFFAOYSA-N 401.511 0.691 30 20 HCED COC(=O)CN(CC(=O)OC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 540553916 QRJCNRGHZTUOJC-AWEZNQCLSA-N 408.480 0.105 30 20 HCED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543005538 RAWKJOOFTHIOFV-JTQLQIEISA-N 409.855 0.885 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccn2)CC1 548852626 PQUNGHVETYDTNE-OAHLLOKOSA-N 405.528 0.792 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COCCOC)C1 549274716 QVCLABBCCCCOCL-HUUCEWRRSA-N 401.533 0.954 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)ccc1Br 550677887 IPZNVDSGCDVFPN-UHFFFAOYSA-N 409.240 0.658 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 551181090 KLWKKWBQBWXKQP-UHFFFAOYSA-N 400.351 1.443 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1cnn(C)c1 553243980 GKJICZHHZNHGDQ-AYOQOUSVSA-N 410.434 0.265 30 20 HCED CCOCC(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555583928 QCHLJOOAYRLPTP-UHFFFAOYSA-N 408.524 0.796 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(O)cc2)CC1 555809822 WMJHRDFFAXPHTM-MRXNPFEDSA-N 402.495 0.276 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)NC2CCCCC2)c1 557536613 ANHSYOVMVZGYGY-UHFFFAOYSA-N 407.496 0.585 30 20 HCED COC(=O)c1cccc(CN2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1C#N 559397701 VLDFXNPUZXCIIP-MRXNPFEDSA-N 400.479 0.710 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 561339814 AZGBSYJVNRVQHH-MRXNPFEDSA-N 402.499 0.188 30 20 HCED C[C@@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 572108410 XCCROFMVZXLZJS-MMEWPQADSA-N 413.503 0.638 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 574213484 UZRIMRDJCZQHFD-UXLLHSPISA-N 415.469 0.813 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1 576317082 PZSZKQIYKOCDKT-CQSZACIVSA-N 400.460 0.658 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCN(C)CCN(C)C 577299135 JZOGIBDFUWSFGF-MRXNPFEDSA-N 409.556 0.567 30 20 HCED COc1ccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)cc1S(N)(=O)=O 588906570 MABIUXSUURTIDK-UHFFFAOYSA-N 411.461 0.701 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)nc1 609199767 JHOPHLXDYWXTBD-QGZVFWFLSA-N 413.526 0.809 30 20 HCED CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 609283063 RWKWKDFKZKVXJA-HNNXBMFYSA-N 408.480 0.797 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 672513387 ZVGRPKUEYJHRJV-UHFFFAOYSA-N 404.511 0.896 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)CC1 728534258 ZBLFFFUYMUSBHS-UHFFFAOYSA-N 420.395 0.793 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)c(C(=O)OCC)s2)CC1 728573197 UIUFCWIEHFODDT-UHFFFAOYSA-N 406.508 0.539 30 20 HCED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)nc1 728857326 DKOGMFDYWLHAHG-UHFFFAOYSA-N 411.443 0.792 30 20 HCED C#CCCN1CCC(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 740738839 PARNCZQDHSNOPH-UHFFFAOYSA-N 423.495 0.648 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 744589476 QALCQJCEQLUQIW-SZNDQCEHSA-N 415.446 0.846 30 20 HCED C[C@@H](CC(=O)OCCN1C(=O)NC(C)(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745498365 XDLCQPZCTFAARL-NSHDSACASA-N 422.463 0.377 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)c2ccccc2NC(=O)Cn2cnnn2)c1 745503167 HXGXZDIBCMLPPZ-UHFFFAOYSA-N 405.374 0.979 30 20 HCED CC(C)(C)c1nc(CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)no1 746279345 ZUMCMLPAFJDRFA-ZCXUNETKSA-N 416.482 0.928 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 746300053 VAPXLYXWXYULTL-VXPUYCOJSA-N 400.410 0.913 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@@H]1CCN(C2CCOCC2)C1=O 746942000 NYAITUMZSPRYNR-OAHLLOKOSA-N 407.448 0.160 30 20 HCED COC(=O)CCN(Cc1ccncc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 753715848 ZVASUCKPMOXEMW-UHFFFAOYSA-N 416.459 0.712 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758756625 YRLUHJYIHVNSTF-ZFWWWQNUSA-N 409.487 0.682 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=NN(CCO)C(=O)CC2)cc1 765472019 OCBLFYRLOLCRCB-LTGZKZEYSA-N 421.479 0.409 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(C)nc2O)CC1 766003691 AZKZNJKFSCJAKT-UHFFFAOYSA-N 409.284 0.755 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)c1cccs1 767638711 VVXZQTPNVIBLTB-LLVKDONJSA-N 421.456 0.786 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 772331743 QSKXGMIRXCYLAQ-UHFFFAOYSA-N 407.495 0.986 30 20 HCED CN(C)c1nccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 775845665 ILRKDCDMGFBTAD-UHFFFAOYSA-N 402.480 0.678 30 20 HCED Cc1nc([C@@H]2COCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 779694116 SDXAPPCJJKCJSM-AWEZNQCLSA-N 419.463 0.797 30 20 HCED COCCCN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 782969430 VFJJFORJQYPUKZ-CABCVRRESA-N 423.491 0.968 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 783495000 HANZSKLADSFQEX-GJZGRUSLSA-N 402.451 0.917 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1 785329250 KLVKDPRXIFMOLE-QGZVFWFLSA-N 418.519 0.816 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(CN3CCCC3=O)cc2)nc1 787429226 DEDSMCMAJKWYOH-UHFFFAOYSA-N 420.473 0.920 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCN(Cc2cscn2)CC1)c1cc[nH]n1 789972303 YTVGRMKFMWAHBM-UHFFFAOYSA-N 420.495 0.885 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OC 795405324 ILAJMSGJOWOLIO-QMMMGPOBSA-N 417.914 0.828 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 820723769 FYPQMRUSTRSFCE-UHFFFAOYSA-N 413.449 0.268 30 20 HCED C/N=C(/NCCNS(=O)(=O)c1ccc(Cl)s1)NCCN1CCOCC1 848989675 QHIUSLSOLQGFPF-UHFFFAOYSA-N 409.965 0.177 30 20 HCED COC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 918361047 DZMFQHHDDWULRR-UHFFFAOYSA-N 420.491 0.870 30 20 HCED C#CCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1115816244 OFJKEEAJCLCAMK-ZDUSSCGKSA-N 401.282 0.732 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1116054915 WLPFBZHARYLNFA-GOSISDBHSA-N 407.474 0.195 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCOC 1253611422 FQGBMHZVMGQVGK-UHFFFAOYSA-N 419.478 0.733 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N(C)C 1288160794 VFFKYNKKQYPVBC-HNNXBMFYSA-N 402.503 0.071 30 20 HCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)N(C)C 1288673184 LHWVKWASVPKHKJ-NVXWUHKLSA-N 424.509 0.893 30 20 HCED Cn1nccc1[C@H](O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1306878973 KVUQHPIIRFVDFC-LJQANCHMSA-N 417.491 0.542 30 20 HCED Cc1ccc(S(=O)(=O)NCC2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 1309596619 MFEGAAVYIWMIRZ-UHFFFAOYSA-N 413.521 0.988 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)C2)nc1 1324342355 AVRUDKOXHWEAFB-KRWDZBQOSA-N 415.471 0.942 30 20 HCED CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1515980270 MLPPQKHRACSQFN-KBPBESRZSA-N 401.471 0.264 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1555995821 LMMQVBCWVUGXGM-CRAIPNDOSA-N 409.512 0.462 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 1556619629 QOVWYIIJHYLYMP-RCBQFDQVSA-N 411.505 0.403 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1611308085 LJMGDEKNINBTNJ-HIFRSBDPSA-N 422.515 0.131 30 20 HCED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1690226071 WFUZKAPRDLSIGD-UHFFFAOYSA-N 424.303 0.882 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCC[C@@H]1C 1706891529 WFXMWUXFCMEAAK-SZOQZIPDSA-N 412.516 0.168 30 20 HCED COCCN1C[C@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1712471075 YZSFXRRHKQEVDS-CVEARBPZSA-N 411.466 0.564 30 20 HCED CCN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764674200 OBMUPVPGLOEBPB-INIZCTEOSA-N 414.514 0.169 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1778108119 YAWYISASVXEWGN-CFCCAZDESA-N 415.494 0.881 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)c1 1778159336 XKZPRXBVIQMXLH-OAQYLSRUSA-N 412.446 0.844 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1778877869 DDPBILJUKLFVFR-MGPUTAFESA-N 404.467 0.137 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1779243356 UVLDADAGDHSXDH-FQEVSTJZSA-N 409.483 0.352 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780104105 QIORKDFQNXXORQ-OAQYLSRUSA-N 417.462 0.338 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)c1 1780169059 MXQXSKMTOSQLFU-OAQYLSRUSA-N 409.446 0.976 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1780249141 MNRYITKQHBSBOF-NRFANRHFSA-N 423.429 0.407 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnncc2C(=O)O)CCO3)cc1 1780697448 FRHPZCCQEMFJJJ-NRFANRHFSA-N 421.413 0.804 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N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccnc(-c4ccccc4)n3)CC2)CCO1 410116517 JZVIAUAFUIMHBY-QGZVFWFLSA-N 414.491 0.735 30 20 HCED CCN(Cc1cn(C)nn1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 441625360 YSYFAZABLVSTSG-UHFFFAOYSA-N 412.841 1.513 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 442064096 ZWABFJHQEKDXCL-OAHLLOKOSA-N 418.494 0.826 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@@H](C(N)=O)O1 443274722 KBZFAOPGCUEZBK-PELKAZGASA-N 400.313 0.497 30 20 HCED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444511097 TXOUNEPVIYUCIY-IAGOWNOFSA-N 401.515 0.752 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 448477796 JHIRKXBJNXQJKY-OAHLLOKOSA-N 409.450 0.474 30 20 HCED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 463373164 DMQYPWWGEHBGKI-GOSISDBHSA-N 411.480 0.701 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 465187481 ROPFULVKJWPZBH-LBPRGKRZSA-N 423.389 0.902 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H](CO)[C@H]3CCOC3)n2)c(F)c1 485320780 KPEOBTNRHBDRNK-UONOGXRCSA-N 401.398 0.583 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 488652670 YSXCSKJCYFHGMH-UHFFFAOYSA-N 421.339 0.577 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(CC)CC)nc2)CC1 491031191 CSNQRSBUKAQOBZ-UHFFFAOYSA-N 402.499 0.313 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 498506369 VXVCCCVEMZGCEB-LJQANCHMSA-N 423.521 0.915 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 504756909 OSBJMTNBNZEOSM-INIZCTEOSA-N 406.464 0.150 30 20 HCED COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C(=O)OC)C1 506035620 HXEMWACFYLNQGC-BRWVUGGUSA-N 408.499 0.105 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](NC(C)=O)C1 506947611 ZARQXXZOXJBULP-CQSZACIVSA-N 421.479 0.625 30 20 HCED C=CCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508902618 LEHFQGQYYXVYGG-KRWDZBQOSA-N 411.510 0.895 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)CSCC(=O)N3CCOCC3)CC2)cc1 514641012 NTZYWSMMYRKRSE-UHFFFAOYSA-N 402.520 0.794 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 517749472 PBNLRJXPXKGGDN-KBPBESRZSA-N 416.521 0.564 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 524123428 DSLXWIXHJOLNHZ-UHFFFAOYSA-N 411.405 0.613 30 20 HCED C=CCN(C(=O)c1nccc2c(S(N)(=O)=O)cccc12)[C@@H]1CCS(=O)(=O)C1 537732943 AZBFTFOOJBONID-GFCCVEGCSA-N 409.489 0.698 30 20 HCED COC(=O)[C@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539450544 OPRXHPJGNFZOFP-QZTJIDSGSA-N 404.442 0.408 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 540016774 CXQJUNYGQRPECB-MRXNPFEDSA-N 408.480 0.848 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 540347154 WIARRPISBFLCFY-LEWJYISDSA-N 404.603 0.779 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N(C)C)CC1 541370776 LSILBSCBHNQZOD-UHFFFAOYSA-N 402.451 0.849 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543960864 CKVKESSHUKZMDH-UHFFFAOYSA-N 422.442 0.266 30 20 HCED Cn1c(CCC(=O)NCCCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 544087491 GJESPLHBYYPQAB-UHFFFAOYSA-N 419.507 0.947 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCCS3(=O)=O)CC2)cc1 544383991 WBKFVPCVAVMOSJ-INIZCTEOSA-N 411.505 0.358 30 20 HCED CN(CC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 549143018 SDNNSLWYRUWPCV-APWZRJJASA-N 421.519 0.863 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)nc1 550992361 GUKGXZIFSUIOCM-HNNXBMFYSA-N 405.480 0.745 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCO[C@@H]3CCCC[C@H]3C)CC2)c1C#N 551154097 ONSRZIMFHVLOSF-CRAIPNDOSA-N 416.526 0.960 30 20 HCED C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCCn1cnc(C#N)n1 553965605 CXYUADUEDLXGCN-CYBMUJFWSA-N 410.438 0.555 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1 559723060 LWRXVKHRFGEUPP-IYYOBANKSA-N 413.430 0.687 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)CC1 561979018 PGLVRLBGRFAFKG-GOSISDBHSA-N 415.538 0.070 30 20 HCED CN(C)C(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 564405703 GOHGELFWSIAHIQ-UHFFFAOYSA-N 400.460 0.855 30 20 HCED COc1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1OC 572621554 BWTCFEAJCRLMRE-UHFFFAOYSA-N 409.446 0.935 30 20 HCED C=CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 576018355 XZWHLVOHZZJULB-SFHVURJKSA-N 412.490 0.760 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)o3)C2)o1 577546486 RJIWPGQDUVIBCJ-LBPRGKRZSA-N 424.460 0.995 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(c4cnc[nH]4)CC3)C2=O)cc1 578359290 WMPVCXWTTHYMRF-SFHVURJKSA-N 420.473 0.905 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 580414735 JGGFEPPEYAYOKR-UHFFFAOYSA-N 408.418 1.173 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 585701271 SOSXGJBVAMOYGG-XJKSGUPXSA-N 421.461 0.585 30 20 HCED CCCCCN(CCO)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868740 RRBLVKVLMJGJPZ-GOSISDBHSA-N 400.479 0.786 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCCC(=O)OC 590990217 KDJQUJVDUMADHN-UHFFFAOYSA-N 419.528 0.954 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 608911344 BNAPKBPOILQLEO-UHFFFAOYSA-N 410.499 0.265 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 608911793 PUQQKMPPHJPJNS-UHFFFAOYSA-N 418.906 0.324 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 610391889 AKZLCPOSQIVBOR-UHFFFAOYSA-N 422.551 0.998 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1C 611360477 IHBOLIWYOYCEPO-UHFFFAOYSA-N 410.434 0.802 30 20 HCED CN(CCCNS(=O)(=O)c1ccc(C#N)c(Br)c1)S(C)(=O)=O 618987090 JABMKWMNRODAFP-UHFFFAOYSA-N 410.315 0.881 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(c3cccs3)CC2)CC1 676846650 KNYPDIXYGLIQQO-UHFFFAOYSA-N 419.551 0.280 30 20 HCED COC(=O)C(C(=O)CSc1nnc(C)n1CC(N)=O)=C1Nc2ccccc2N1 728219502 KYIMYVDBFKQWNJ-UHFFFAOYSA-N 402.436 0.655 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)CC1 728536030 FSLDYSYHZCDNIN-UHFFFAOYSA-N 409.490 0.680 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)c2cc3ccccc3n2CC#N)n(C)c1=O 729768615 LCXZPMKJORARFP-UHFFFAOYSA-N 406.402 0.769 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCCCC2)CCOCC1 731889645 JMSLJHLNXKXLDB-UHFFFAOYSA-N 420.535 0.876 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2ccc(OCC#N)cc2)c1 732073680 CJFBYWBQUZZLNM-UHFFFAOYSA-N 416.459 0.794 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1nc(CN2CCOCC2)cs1 732233935 LRFJMJMXUSPHTN-PFONDFGASA-N 406.468 0.623 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](CN1CCOCC1)c1ccccc1 732442370 PJVRMCVYORVAMG-NHKNDPDJSA-N 413.478 0.886 30 20 HCED COC(=O)c1cn(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc12 732911023 WPEGFLFVYPSULS-CQSZACIVSA-N 417.443 0.394 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CSc3nc[nH]n3)cc2)CC1 733148930 PEOWFRBYWFJYFI-UHFFFAOYSA-N 412.519 0.994 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(=O)NCCOC)C1=O 735224782 CRWNVVWPLBPDOU-CQSZACIVSA-N 422.463 0.246 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)CC1 747993426 LOIVCYWLODUCFG-UHFFFAOYSA-N 405.476 0.325 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c1 749158090 SKDLLGOADXKPBO-UHFFFAOYSA-N 411.439 0.835 30 20 HCED CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 751923129 HWPJAFDNYZMKBJ-JSMJOEJTSA-N 403.508 0.727 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)N(C)C 752135663 DCLQTDFCOIIKMS-GHTHLWOPSA-N 423.495 0.031 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cc1csc(-c2nc[nH]n2)n1 766987008 OXTUZRMVNONRDX-UHFFFAOYSA-N 404.433 0.856 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCCn1cccn1 767632151 UOCCOAXIOUFFPT-AWEZNQCLSA-N 419.463 0.171 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)cn1 772301002 UPVGHCYUKSYJAI-UHFFFAOYSA-N 413.528 0.620 30 20 HCED COCCCN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 782969431 VFJJFORJQYPUKZ-GJZGRUSLSA-N 423.491 0.968 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(Br)cc1C)[C@H]1CCS(=O)(=O)C1 783479188 BBKHDBAJKPVCSY-NSHDSACASA-N 414.281 0.740 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 785158336 UWHJQRZUZXXDRW-UHFFFAOYSA-N 416.478 0.064 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cnc(N3CCOCC3)s2)c1 785531324 GQMXDKQSNUQQDR-UHFFFAOYSA-N 420.516 0.821 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)n1 789793244 GOWKKANXJOBYQY-UHFFFAOYSA-N 417.491 0.720 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 796285672 RJRZYEDVYRXCLT-MRXNPFEDSA-N 417.466 0.741 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 800074455 LZIUCCBCMLHYKG-AWEZNQCLSA-N 401.489 0.538 30 20 HCED COc1ccc(CNC(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1C#N 807103106 ZOFHGSCOSOLYMK-MRXNPFEDSA-N 400.479 0.800 30 20 HCED COCC1(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 811161320 VVMXBESSFPTSRI-NSHDSACASA-N 415.493 0.129 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815509748 WBPNSIWAZIEQMZ-UHFFFAOYSA-N 407.496 0.944 30 20 HCED C[C@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 825320256 LKUBSRJGZXDMIU-RWYMCXKJSA-N 400.478 0.835 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 831700446 GUZIWVFUYCWGBX-SFHVURJKSA-N 424.479 0.521 30 20 HCED CC1(C)NC(=O)N(CCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 912958381 IYFFEOFYTLPKLP-UHFFFAOYSA-N 408.436 0.366 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCOC 916198536 NLVTYOGWTAPTFF-UHFFFAOYSA-N 421.906 0.475 30 20 HCED CC(C)NC(=O)CN(C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 920478755 KYUNPYUWCVROGE-XLNRJJMWSA-N 423.539 0.894 30 20 HCED N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)C1 1316527976 RTGOHGSVDKGCSE-GOSISDBHSA-N 400.418 0.426 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1 1318073678 IMVSTKSPXQVUCC-INIZCTEOSA-N 413.430 0.820 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1 1318073679 IMVSTKSPXQVUCC-MRXNPFEDSA-N 413.430 0.820 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@]1(N2CCOCC2)CCSC1 1318515813 IMEHVQJDRVUAGB-ZPWFJYARSA-N 409.512 0.020 30 20 HCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CCn2ncn(C)c2=O)c(=O)n(-c2ccccc2)n1C 1343385884 HULXNTHEOWTLBC-HNNXBMFYSA-N 423.433 0.117 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)o1 1458293202 QUMQSSANSLXXLX-BEFAXECRSA-N 422.507 0.924 30 20 HCED N#Cc1cn(CCNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)c(=O)nc1O 1470361263 QIYMMNBRJIZREL-MRXNPFEDSA-N 401.398 0.149 30 20 HCED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1=O 1502303882 OCTXERHYZRSPHH-UHFFFAOYSA-N 406.454 0.447 30 20 HCED Cc1cnn(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1542829335 RFTLGAVQXQYVPE-GJZGRUSLSA-N 405.484 0.114 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1555809360 SILAVEGBEAIKAJ-SUMWQHHRSA-N 420.474 0.459 30 20 HCED COc1cc(C)c([C@H](C)NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1OC 1559448647 JTGOWEWVBFWMOD-LBPRGKRZSA-N 400.435 0.930 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)c(=O)nc1O 1635831254 KYADXURSCYPXBL-LBPRGKRZSA-N 412.324 0.959 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1663859926 XGJALJLAWVVZEY-LJQANCHMSA-N 410.515 0.913 30 20 HCED N#CC[C@]1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1669977738 MHUFGAKEEQCOTG-KRWDZBQOSA-N 413.521 0.900 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCOCC1 1690994053 VDBIYUJXOCTTTP-QLFBSQMISA-N 413.548 0.205 30 20 HCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1707953226 YHGJIZSHCRLYOP-CYBMUJFWSA-N 402.480 0.528 30 20 HCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1722541171 KOQZOKWRBTXKKV-UHFFFAOYSA-N 410.906 0.998 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1723778903 TVEBTBIMIBBFMC-LSDHHAIUSA-N 423.543 0.420 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1749269410 RVFGJGWGTAJQDO-KBPBESRZSA-N 419.935 0.836 30 20 HCED 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N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1835359311 CVGXHTMKKBEILD-LJQANCHMSA-N 402.407 0.184 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1835714400 MJFQZRBFCXSYLQ-DLBZAZTESA-N 422.526 0.240 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969868 VNFFXNLVCMNTQS-HNAYVOBHSA-N 424.885 0.031 30 20 HCED CC(=O)O[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)C(C)C 1837223880 FBRVXADAKZJZSF-QIIPPGSGSA-N 402.513 0.349 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837403665 XGHBJAOBKCKMIH-IERDGZPVSA-N 410.511 0.321 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837476777 DEGXYOSPTIWWJQ-IERDGZPVSA-N 413.478 0.147 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560008 HAUFNXAURHLCSU-UWDDZFTESA-N 421.494 0.562 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837600145 JJGCPDWNMXYIKY-QRWLVFNGSA-N 404.467 0.770 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838215855 QIEGCZDTASUBBS-KKSFZXQISA-N 418.494 0.428 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)c1 1839422077 AXRAVIPDJSKHJF-IIBYNOLFSA-N 417.437 0.804 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)CCO2)C1 1839694119 GSHIKQAAXBEEOV-RXFYRGCNSA-N 406.504 0.356 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1840293183 LMWUEEZZNWWNTL-UZLBHIALSA-N 408.499 0.083 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840834533 RZSSEAMJYRJGPQ-JOCHJYFZSA-N 411.458 0.916 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1841054071 JCPXIRAEVNNRAE-PLNGDYQASA-N 421.347 0.403 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1ccccn1)C2 1841611077 TUNWHVZLXVEKDM-HOTGVXAUSA-N 400.479 0.994 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CNC(=O)C(F)(F)F)C2 1842921282 DZCDYKOLUZJSRP-UHFFFAOYSA-N 403.405 0.150 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1845485345 UOAVZJXGCZFCKM-UHFFFAOYSA-N 421.392 0.559 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccc[nH]2)CC1 7452382 ZEGXPZHUMWRNLB-UHFFFAOYSA-N 402.432 0.576 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCN2CCCCCC2)c1 431576489 GJTDVAUASZRHRC-UHFFFAOYSA-N 422.551 0.873 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 435019702 KUJVYEXJIPZUHS-UHFFFAOYSA-N 412.468 0.321 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1C 440388917 JSHUOELRKVVHES-UHFFFAOYSA-N 419.466 0.834 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(F)c(C#N)c1 442313239 WBSRWQHHNDHFHC-KBXIAJHMSA-N 403.366 0.587 30 20 HCED N#Cc1ccc(NCC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)nc1 467663058 CGVDANLBYZVTPV-UHFFFAOYSA-N 407.883 1.503 30 20 HCED C[C@@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCO1 470067551 QOFKDMAFYIHPMX-HZPDHXFCSA-N 408.524 0.842 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 479838830 UHRMPRKZBCQTIL-CQSZACIVSA-N 416.459 0.803 30 20 HCED CC[C@H](CC#N)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 480742733 XKHZUNYDIOIUID-CQSZACIVSA-N 401.510 0.987 30 20 HCED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 486123972 SOBMKJVQUPIMPT-GOSISDBHSA-N 417.491 0.821 30 20 HCED COc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1S(=O)(=O)N1CCCC1 491376234 PPOHTYZPNFVMIP-CQSZACIVSA-N 422.463 0.169 30 20 HCED Cc1cc(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)nn1CCC#N 504438991 RSLXKKCUXVDAES-UHFFFAOYSA-N 400.414 0.658 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)N(C)[C@@H](C)CC#N 511008466 FCPFOGYYCNNLTD-LBPRGKRZSA-N 408.933 0.995 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 515160312 SOEQZVWABYEQNP-RBUKOAKNSA-N 420.535 0.721 30 20 HCED C=CCN1CCC(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 519283593 RJGVRAZPVMDHCW-UHFFFAOYSA-N 408.524 0.433 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccn2)c1=O 522283733 MFMCSBHIRBYEIW-UHFFFAOYSA-N 400.504 0.617 30 20 HCED C=CCN(C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)[C@@H]1CCS(=O)(=O)C1 522897645 VKNZSHCIHLYHQA-CQSZACIVSA-N 419.507 0.579 30 20 HCED CCn1cc(C#N)c(=O)n(Cc2nnnn2-c2ccccc2Br)c1=O 524100953 FFVXBOZRIBOPGE-UHFFFAOYSA-N 402.212 0.688 30 20 HCED CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 530893574 JZCMYYMOZRYVIG-UHFFFAOYSA-N 414.512 0.837 30 20 HCED CN(CC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 532174240 RAQFEYOMYQKQJX-MOPGFXCFSA-N 420.535 0.938 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 532509367 FPOQWTPTAJFMLT-OAHLLOKOSA-N 408.480 0.824 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)c(Cl)c1 537389915 ZIGXYPBROFEBSH-UHFFFAOYSA-N 408.871 0.404 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCSC[C@H]3C#N)CC2)cc1 538228360 SXUKRKQQLGCNKL-MRXNPFEDSA-N 408.549 0.769 30 20 HCED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 540308330 SNNRGIFEIXUOPS-UHFFFAOYSA-N 410.500 0.547 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1=O 541762597 FTKZEKBWMGWXKO-AWEZNQCLSA-N 413.521 0.535 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 542989466 KMGYYMMPIPVZSH-AWEZNQCLSA-N 416.825 0.309 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)C1 550284575 UFTHUGUITPDPBR-SNVBAGLBSA-N 412.942 0.882 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 550754252 ROHJFLNKTAHOGM-UHFFFAOYSA-N 423.473 0.943 30 20 HCED CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 557119477 DYJMVIQTBMXQPQ-UHFFFAOYSA-N 420.473 0.919 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)Nc1cccc(I)c1 559646272 RPSQZLQYISIKCE-UHFFFAOYSA-N 422.248 0.862 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2COc3ccccc32)CC1 566941105 MVSBCCRGESILQM-WBVHZDCISA-N 400.479 0.114 30 20 HCED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 569474989 RAIKNSUSGUVKPZ-UHFFFAOYSA-N 418.523 0.872 30 20 HCED CCN1CCC(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 572386309 FZLXZBHMVCDUDR-IBGZPJMESA-N 411.506 0.623 30 20 HCED C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 573312853 WPOKVJLBURNJIM-ATZDWAIDSA-N 411.506 0.968 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 573462146 NVVVNHOJCXSLOQ-CABCVRRESA-N 407.434 0.656 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1=O 577617542 DIMSUHIIRYGMDA-KRWDZBQOSA-N 416.478 0.015 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCOC[C@H]3CCCO3)CC2)nc1 586830940 RMQYWRKUCKNQFZ-QGZVFWFLSA-N 401.467 0.350 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCCNS(=O)(=O)Cc2cccc(C#N)c2)c1 603598019 OJKBOQUYUOQYGH-UHFFFAOYSA-N 418.500 0.969 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3)o2)c(=O)n1C 603993326 OLBCRGWDQYYDED-UHFFFAOYSA-N 409.467 0.972 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)nc1 604195519 GACHODZYEIUCSA-UHFFFAOYSA-N 400.464 0.365 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCO1 609282747 LCVFXUVNFPZXGF-INIZCTEOSA-N 406.402 0.234 30 20 HCED N#Cc1cc(NCCN2CCOCC2)cc(NCCN2CCOCC2)c1[N+](=O)[O-] 609848496 SZRLGQDLMVELFJ-UHFFFAOYSA-N 404.471 0.955 30 20 HCED COCCN(CCC#N)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 610987536 CCQUCNOGFCQHLI-UHFFFAOYSA-N 411.480 0.905 30 20 HCED NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1 682264466 KIOJWHOTJQJMEI-INIZCTEOSA-N 403.485 0.976 30 20 HCED NC(=O)NC[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 729363537 MHLDQLIJACIADE-ZDUSSCGKSA-N 407.496 0.555 30 20 HCED CNC(=O)CNC(=S)NN=C1C(=O)Nc2c(I)cccc21 731927688 NRMPVQMUTQAWNR-UHFFFAOYSA-N 417.232 0.158 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1 733149065 XIQDBDBYNUPJOS-UHFFFAOYSA-N 415.519 0.359 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(CC(F)(F)F)CC2)c1=O 738069331 GRLYLRSUGQUQBW-UHFFFAOYSA-N 403.405 0.071 30 20 HCED C[C@H](O)C[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741097441 DNWNPKVWDSRIAD-WRGUXLKQSA-N 424.523 0.961 30 20 HCED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc2c(c1)OCO2 741340622 MKRFAIDROMLELP-VHEBQXMUSA-N 401.375 0.491 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1cnn(C)c1 743649584 MKPJEKWQVUZUBL-HOTGVXAUSA-N 419.507 0.867 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)CC1 747279650 YZIOQRQUGLMHGQ-UHFFFAOYSA-N 405.520 0.971 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCCCNS(=O)(=O)CC)ccc1F 753342839 DKRRZLHDVCZMBK-UHFFFAOYSA-N 408.473 0.776 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)C1 755542753 AMIHRDPVXNDRFA-SMDDNHRTSA-N 419.413 0.738 30 20 HCED CCN(CC)C(=O)CCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 756519740 GGGGFBJJLZMLAC-UHFFFAOYSA-N 405.455 0.695 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2ccnn2C)c1=O 758078552 PGHGWJCGEYZPLN-YOEHRIQHSA-N 409.515 0.474 30 20 HCED CCOC(=O)N1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 765346988 DNXXZRUVYDCODF-AWEZNQCLSA-N 408.480 0.916 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CC1 767308432 JMAFXAZPURUMDG-UHFFFAOYSA-N 401.510 0.396 30 20 HCED CC(=NNc1nc(O)c2cnn(C)c2n1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 769819182 KAXOOERMPPVJCC-UHFFFAOYSA-N 419.423 0.268 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1 771240442 INJYNQLIIBEURC-OAHLLOKOSA-N 419.445 0.812 30 20 HCED Cc1ccc(OC(F)F)c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 771889996 DAGVOSMUARDRTG-UHFFFAOYSA-N 402.379 0.306 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCCO1 774867486 XZENAVWHUUZWNQ-GBESFXJTSA-N 403.454 0.612 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778817615 CLHDIYMHETWNLT-OAHLLOKOSA-N 417.447 0.309 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2cnn(Cc3ccc(F)cc3)c2)c1=O 780293986 MKIZWOCXQRVKGT-UHFFFAOYSA-N 409.446 0.967 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1C)[C@@H]1CCS(=O)(=O)C1 783481514 PBZNATHAJNTUKN-CQSZACIVSA-N 422.459 0.134 30 20 HCED CN(C[C@H](O)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785084200 MBXIEEPBBPQARR-SEPJKUCUSA-N 422.507 0.667 30 20 HCED C#CCn1ccc(CN(CC)S(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)n1 788696467 QVORKYKNBBEESR-UHFFFAOYSA-N 402.436 0.075 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 792320499 DENQJTSXIZOJBI-MDOVXXIYSA-N 404.467 0.783 30 20 HCED C#CCC[C@@H](O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 798413096 QEAZJWCLFDEVSP-DLBZAZTESA-N 402.499 0.356 30 20 HCED CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 800060514 JXCFAFQDDWQSSR-UHFFFAOYSA-N 400.400 0.917 30 20 HCED C#CC[C@@]1(C(=O)NCCn2cc(C(=O)OC)nn2)CCCN1C(=O)OC(C)(C)C 803644051 FPRBMDGLBBOOIW-IBGZPJMESA-N 405.455 0.974 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(Nc2cc(OCC)ncn2)CC1)[C@@H]1CCCO1 809306503 RKLPGKFKSBCGPQ-CVEARBPZSA-N 401.467 0.575 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)COc2ccc(N3CCCC3=O)cc2)c1 813984516 UIKMWDJIDQDOBO-UHFFFAOYSA-N 400.416 0.964 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCNS(=O)(=O)c3ccccc3)NC[C@@H]2C1 849086748 ONDPNDAWKYUIGU-OAHLLOKOSA-N 423.539 0.845 30 20 HCED CCCCS(=O)(=O)N1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1124651358 PIZGDBNVOPQJSI-UHFFFAOYSA-N 424.527 0.898 30 20 HCED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1=O 1296104443 APROXIWKRVKAFJ-JOCHJYFZSA-N 423.521 0.942 30 20 HCED CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1314075840 VZWJWDYLPKLMKZ-LIRRHRJNSA-N 416.486 0.822 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)CCc2c(C)nn(CCC#N)c2C)CC1 1318584356 BPIWPHGLYDXHGG-UHFFFAOYSA-N 402.499 0.543 30 20 HCED CC(C)S(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1346028771 YMYKOKSHJJOMGE-OAHLLOKOSA-N 412.489 0.448 30 20 HCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccoc2)C1 1519564641 UTRGMJFHIQBEEA-PBHICJAKSA-N 424.458 0.694 30 20 HCED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1541005803 YWFZDOXALNHYIA-KRWDZBQOSA-N 414.514 0.133 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1556697168 QZMAVTYQEVHVQY-BLLLJJGKSA-N 411.505 0.261 30 20 HCED 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C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1839808888 ICWDMMCHAXHSBE-OAQYLSRUSA-N 409.446 0.279 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1)C(F)(F)F 1839891352 AIKSNPLDVUSFIT-INIZCTEOSA-N 418.372 0.495 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1)C(F)(F)F 1839893426 YMPASZULAJIZTO-HNNXBMFYSA-N 405.329 0.569 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1)C(F)(F)F 1839894558 FCBNKEIVFSWERJ-MRXNPFEDSA-N 402.373 0.527 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840163568 KIWKYZPMUMVCML-BBATYDOGSA-N 412.464 0.192 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840383636 WDEQSASCNGLRHD-GHTZIAJQSA-N 420.510 0.711 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840483940 PRXWSUKLGXEGDU-IIBYNOLFSA-N 403.479 0.876 30 20 HCED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840523377 XZIQFIBDFKVHJW-JLDPKJTDSA-N 407.467 0.582 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCCC4)C3)C2)CCC1 1840816220 SAOXLIAOTJYKFE-OAQYLSRUSA-N 404.511 0.623 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1844159105 KBSLFYQBVQZLGJ-QGZVFWFLSA-N 418.425 0.508 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1)C2 1844286821 JPEFKUMCIXGXFM-SFHVURJKSA-N 413.430 0.870 30 20 HCED O=C(CC(F)(F)C(=O)O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300478 KVVJQERBEGDPQQ-UMXKZIAQSA-N 403.382 0.829 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)C2 1846195390 KMQZGKYCRRUAGH-UHFFFAOYSA-N 421.335 0.653 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 43269971 TZSYZZOGFGATDQ-UHFFFAOYSA-N 404.408 0.196 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCS(=O)(=O)C1 47857465 KCLHFZXOIRKRKO-NVXWUHKLSA-N 405.524 0.499 30 20 HCED C=CCn1nnnc1SCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 52910499 FANRIVQWPZDRLF-UHFFFAOYSA-N 402.480 0.740 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 109198784 MQYNDIYODHJRHG-UHFFFAOYSA-N 415.537 0.647 30 20 HCED CCN(C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 110086116 HKGOGBUIYKQBHA-DNVCBOLYSA-N 418.475 0.361 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 409573786 LNYJGQVLRJFUQL-INIZCTEOSA-N 407.540 0.890 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 410130282 KIHSZOXLSKODLH-QGZVFWFLSA-N 410.544 0.289 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)n1 425954939 PKPJGGCPUWMKIO-UHFFFAOYSA-N 424.852 0.698 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437383700 IALDJQMMDKQSIL-INIZCTEOSA-N 415.494 0.695 30 20 HCED C[S@](=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 438169770 XODIDWVBXBHBJX-MHZLTWQESA-N 424.548 0.875 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCOC3)c2=O)nc1 441944798 YEEXQKMISGIZPL-AWEZNQCLSA-N 410.499 0.431 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 445117992 RUYVFLZPQWGWCD-GOSISDBHSA-N 402.495 0.590 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 445851973 MSWWONIYWMMUBA-CYBMUJFWSA-N 420.470 0.446 30 20 HCED CS(=O)(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 461374141 QHPHIFZSFZESKE-HOTGVXAUSA-N 410.565 0.966 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 461550375 URLVNEOPDACNJG-INIZCTEOSA-N 421.523 0.992 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 464692218 OVJCOIUNOYBVAQ-KNCCTNLNSA-N 406.402 0.630 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 465215286 PRRKUEMRUOLUHB-IAGOWNOFSA-N 401.515 0.925 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 466829190 PXCOXQYYSZYMPE-UHFFFAOYSA-N 424.461 0.751 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2ccnn2C)C1)S(=O)(=O)c1ccc(C#N)cc1 470331579 XYWXFLCNIIELAG-MRXNPFEDSA-N 416.507 0.697 30 20 HCED CC(C)[C@@H](NCC(=O)NCc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 470992778 ALQXLHWLOIWBKI-OAQYLSRUSA-N 423.521 0.985 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)n1 471402566 CHDIOYCMSXBCKF-GOSISDBHSA-N 410.522 0.901 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C 477191947 UCOWVVNHUAQKQJ-UHFFFAOYSA-N 404.423 0.913 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3CCc4sccc4C3)CC2)c1 478828964 JMCKRUAZNSBEQQ-UHFFFAOYSA-N 424.530 0.838 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480940889 WMFVFRJKUDHVQN-UHFFFAOYSA-N 421.438 0.536 30 20 HCED C=CCOC[C@H](NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 481753953 WEEICJMBBXYQGF-GJZGRUSLSA-N 404.419 0.671 30 20 HCED COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 486607242 SCRHLGWWCIZRON-MRXNPFEDSA-N 416.459 0.763 30 20 HCED CSCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 488991656 XWXSYQNEXPLXKI-CYBMUJFWSA-N 418.544 0.505 30 20 HCED CC(C)[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCCS1(=O)=O 489188345 XTGFYIXTNZXIQL-ZWKOTPCHSA-N 418.519 0.835 30 20 HCED C[C@H](C(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)n1cccn1 490268379 IEUXWSXRKAZIBB-QAPCUYQASA-N 408.462 0.691 30 20 HCED CC(C)C[C@@H]1C(=O)NCCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 498643243 NHORESCUGGODAH-QGZVFWFLSA-N 406.508 0.942 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)CC1 499904979 BXTKNJWLQLNAFK-HUEGOHFSSA-N 423.494 0.718 30 20 HCED N#CCCn1cc(C(=O)NCCN2C(=O)CNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 499930700 OAHLGOPSDKYCEA-UHFFFAOYSA-N 411.378 0.654 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1C 506448671 RRMOUEXVYCDPEO-MRXNPFEDSA-N 415.475 0.945 30 20 HCED C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 507485809 NCPVBCJFWHJIIJ-CQSZACIVSA-N 419.507 0.806 30 20 HCED C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508741230 WAKMUEGURKEXAL-INIZCTEOSA-N 410.478 0.807 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508995244 BKLFDSJWCPWXIU-UHFFFAOYSA-N 403.531 0.737 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 511426241 OQRZDXRDXILJBU-UHFFFAOYSA-N 401.202 0.799 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)C1=O 512877290 ZCHCXYJIEVTBEH-SNVBAGLBSA-N 416.398 0.035 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 524451642 QKQRWSITJVAZPJ-UHFFFAOYSA-N 406.489 0.957 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1cccs1 535334779 GKUCLFBGIWPYEH-GFCCVEGCSA-N 406.489 0.833 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536967710 HWKWXNQCUVRFNE-ZDUSSCGKSA-N 404.471 0.544 30 20 HCED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cnn(C)c1 542575433 ICUBLKIZEFIGHR-HNNXBMFYSA-N 416.507 0.475 30 20 HCED C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 554443573 UAZVURLAYZCFEN-QGZVFWFLSA-N 414.510 0.599 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)CC2)c1C#N 561700910 HBQVBWILUCIWTF-WBVHZDCISA-N 400.483 0.323 30 20 HCED CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1CCOC 570441328 LTDDTBLYKMWQDM-QGZVFWFLSA-N 408.524 0.796 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3C[C@@H](OC(C)C)C3(C)C)CC2)c1C#N 572406023 YIFHDRVPANWNDN-DLBZAZTESA-N 416.526 0.957 30 20 HCED N#Cc1nc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[nH]c1C#N 572829802 SPDAOALNUVKYLY-UHFFFAOYSA-N 414.325 0.969 30 20 HCED CCCCN(CCCO)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 574431589 WAUHUVKIQYEJTF-SFHVURJKSA-N 400.479 0.786 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CCC[C@H]2C1 577981159 FHIYSOQJGWNOFY-KSZLIROESA-N 414.510 0.740 30 20 HCED Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1=O 580354540 IPWSOSMEKWFUAN-MRXNPFEDSA-N 406.446 0.488 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 582348942 KYQMZUVUMBTHJQ-UHFFFAOYSA-N 414.397 0.505 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCOC[C@@H]3CCOC3)C2=O)cc1 588107126 YEVKLHCPVDFRLI-SJLPKXTDSA-N 414.462 0.339 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 589157623 IEEBKEHERSXVAF-UHFFFAOYSA-N 405.426 0.792 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3cncc(C#N)c3)cn2)CC1 589585055 JUXVCIDPFCIIHH-UHFFFAOYSA-N 422.492 0.231 30 20 HCED N#CC1CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 590490123 GIYFAZZNMQDLEJ-UHFFFAOYSA-N 402.432 0.557 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 604429806 YCZSRWRZBNYODU-UHFFFAOYSA-N 410.544 0.040 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 609202547 OACDEEIVQCGXBI-UHFFFAOYSA-N 420.473 0.701 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 609450817 VDLCGRDUNSKJOW-UHFFFAOYSA-N 401.463 0.739 30 20 HCED Cn1nnnc1CCNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 611319342 RLPDWMGRSHVEGC-UHFFFAOYSA-N 405.418 0.958 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003398 NCIPVIGELFERNP-IRXDYDNUSA-N 415.446 0.306 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 726577602 TWHHTYVEOOMHSE-UHFFFAOYSA-N 421.482 0.460 30 20 HCED Cn1nc(C(=O)N2CCN(CCOC(=O)/C=C\c3ccccc3C#N)CC2)ccc1=O 729208395 IECCQFHDOHHSLC-TWGQIWQCSA-N 421.457 0.666 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)CC1 729256743 GOPCKLNVVXHYEM-KRWDZBQOSA-N 400.479 0.558 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 734147395 VDEQLKDZJRVEHJ-KGLIPLIRSA-N 406.508 0.878 30 20 HCED COCCN(C(=O)COC(=O)C1(C#N)CCC1)c1c(O)nc(=O)n(CC(C)C)c1N 736846232 VNOLXMWJTRIPBC-UHFFFAOYSA-N 421.454 0.404 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cn1 744734710 NSDFNKONDFSHQP-UHFFFAOYSA-N 402.392 0.363 30 20 HCED C#CCNC(=O)C1CCN(C(=O)/C(=C\c2cccc(OC)c2)n2nnnc2C)CC1 747736951 SKNNXELPRURKEX-XMHGGMMESA-N 408.462 0.976 30 20 HCED CC(C)(C)NS(=O)(=O)c1ccc(NNS(=O)(=O)c2ccc(C#N)nc2)nc1 751269120 MACIPOTUZFVHHA-UHFFFAOYSA-N 410.481 0.730 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 756897238 WDMFFJHIBANRBE-ZIAGYGMSSA-N 400.501 0.533 30 20 HCED C#CCNC(=O)CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 759482508 IWOQCMQDCVKODN-SJORKVTESA-N 406.527 0.964 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1 761023402 HMHOOCHOZHUZRP-UHFFFAOYSA-N 419.551 0.701 30 20 HCED CN(CCCNC(=O)CON=Cc1ccc(N2CCOCC2)cc1)S(C)(=O)=O 762654815 PXDPESITZLDUQY-UHFFFAOYSA-N 412.512 0.271 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c1 764030995 APGZOXLTXJHVST-LBPRGKRZSA-N 420.447 0.995 30 20 HCED Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)s1 765145194 HBZQSTCSKSBLLI-UHFFFAOYSA-N 415.500 0.739 30 20 HCED N#Cc1ccc([C@H](OC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C(N)=O)cc1 767552049 HHAXMANTGFTFRY-IBGZPJMESA-N 422.445 0.547 30 20 HCED C[C@@H]1CN(C(=O)Cc2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)C[C@@H](C)O1 771224032 NWNGNTULAQNPAU-VXGBXAGGSA-N 419.463 0.487 30 20 HCED CC(CCc1ccccc1[N+](=O)[O-])=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888381 BLSDIOZUXFOTOK-UHFFFAOYSA-N 409.424 0.279 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(CN3CCCCC3)no2)cc1 773470788 KBCFFILXDKYTOA-UHFFFAOYSA-N 417.491 0.897 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 773799545 SMWKUAVVPLUNCZ-RDJZCZTQSA-N 405.476 0.123 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 782896255 DFUSKCIKLOZGII-UHFFFAOYSA-N 411.466 0.730 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 782909236 UXLAIZFLDOKDFR-WBVHZDCISA-N 421.475 0.722 30 20 HCED Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cn2)n1 787502272 RWBJDISDZBFHTI-UHFFFAOYSA-N 418.461 0.995 30 20 HCED CCO[C@H](C)c1noc(CN(C)C(=O)C(=O)NCCNc2ncccc2C#N)n1 787787418 KGMKGJYMPSCEJP-GFCCVEGCSA-N 401.427 0.620 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 789331986 LVUABBJNPFGIPB-MOPGFXCFSA-N 422.551 0.533 30 20 HCED Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 789570785 JQQCONMLBTZQOS-ZCXUNETKSA-N 408.418 0.762 30 20 HCED N#Cc1ccnc(N2CCC[C@H](OC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)c1 791976024 PBRVBBKSVZAALL-KPHNSTPASA-N 410.430 0.628 30 20 HCED Cc1ncc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc1C#N 793357147 JSFDAPXAGBVGTN-UHFFFAOYSA-N 410.481 0.649 30 20 HCED C=CCN1CC[C@H](OC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 798568771 IVJSGCDRELPART-INIZCTEOSA-N 409.464 0.596 30 20 HCED COc1ccccc1-n1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cn1 798835269 UWXLWWNHJYORIA-LLVKDONJSA-N 401.408 0.410 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C(=O)c3ccc(F)cc3S2(=O)=O)CC1 801664681 YTBFYKJPTLDTMU-OAHLLOKOSA-N 408.455 0.663 30 20 HCED CN(C)C(=O)OC[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804657685 IWXWJXYWUFTRNV-CYBMUJFWSA-N 408.480 0.804 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 854297805 XDTRPTAYZJMXSX-HNNXBMFYSA-N 420.487 0.971 30 20 HCED 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C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1831419720 PRSOBBBVXRSDGV-DBXWQHBBSA-N 409.527 0.518 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnco1)CCO2 1831932331 OYTSCEGAZQJHGR-VBFVGENYSA-N 422.438 0.274 30 20 HCED Cc1csc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1832984812 FZOVCTFRAOVHLX-FQEVSTJZSA-N 420.487 0.534 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833143347 HLUJCWBCJUKKNH-INIZCTEOSA-N 423.558 0.420 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1833703069 UWVBSWFNPVLVNU-QRWLVFNGSA-N 424.473 0.529 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1834760767 KAPNMHSNTFKRGU-VQTJNVASSA-N 414.418 0.091 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1835645313 DOCJQJCYDWACSR-HNAYVOBHSA-N 424.542 0.835 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)O1 1835677327 NSFSLHMBTBGAKK-LZJOCLMNSA-N 422.526 0.292 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1835809828 HXNNTNOAGGFUHB-GJZGRUSLSA-N 408.572 0.804 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)s1 1836074863 DSDJWSKHJSPSKB-GOSISDBHSA-N 407.496 0.395 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836130476 MTDLNYHFMJKDQQ-FQEVSTJZSA-N 405.499 0.727 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1836681777 RSAWZRMWFNBUEF-KRWDZBQOSA-N 423.510 0.504 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837048596 SALKCLIXQHHMTK-SFHVURJKSA-N 403.464 0.770 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c3C)C2)C1 1837396810 MZKHABRYEAKZKT-UTKZUKDTSA-N 405.495 0.966 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837440674 TVQAGAYHZGBICI-OGTJOQQYSA-N 422.526 0.484 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837440754 XDUKTFWNOXCNRE-PIUNUONSSA-N 421.542 0.010 30 20 HCED Cc1ncoc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441240 XVODYHNPBOIZAY-PDEZOQIOSA-N 419.482 0.525 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1837559704 CACYDHXHPIQZNT-ZKSMDFIPSA-N 402.407 0.457 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)n[nH]c3C)CCO2)C1 1837801623 YTMCPZDBMGWJGT-UZLBHIALSA-N 404.467 0.135 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837820377 UPUOUWUHKMYKMG-QRWLVFNGSA-N 420.466 0.658 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1838405040 MWKHQLXOSTXSAF-QFIPXVFZSA-N 421.538 0.439 30 20 HCED NC(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838409488 YCUKJTIARAJLJR-OEAKJJBVSA-N 418.494 0.963 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1838675737 BXTBEAKKFVGOAW-JOCHJYFZSA-N 423.473 0.903 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)cc1 1838949982 IKUBCLCOICJKDF-NRFANRHFSA-N 409.446 0.525 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1839226929 YYEVILFHPWDXIO-LAUBAEHRSA-N 418.494 0.881 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839530885 OMMHLAYOYSOPHH-KKSFZXQISA-N 418.494 0.490 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840020785 XBZFGDFTBMVGGH-IIBYNOLFSA-N 401.463 0.328 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccsc3)C2)C1 1840041927 PZGBITWISGZLDX-IBGZPJMESA-N 406.460 0.225 30 20 HCED COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840157591 VLYLBMKKVBIFEU-MGPUTAFESA-N 424.519 0.849 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1840295442 PAHSPETVWUHLDP-PXNSSMCTSA-N 403.483 0.489 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCS3)CCO2)C1 1840577332 QXSAYOBYXPRIKS-GUXCAODWSA-N 412.552 0.912 30 20 HCED Cc1noc(N)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812997 XQLCRPUXSSHXDN-IBGZPJMESA-N 403.439 0.329 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814775 HFWJSBCSEYAJHO-OAQYLSRUSA-N 415.494 0.719 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2ON=C(c3ccccc3)O2)C1 1844195532 SDBZHHIKDCZKHF-VFCOFNOGSA-N 424.457 0.783 30 20 HCED O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315615 LZYXHOYRUWCPSD-QPSGOUHRSA-N 400.357 0.580 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1 1845484592 IJSACUPOSNPYKH-CYBMUJFWSA-N 422.482 0.842 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(C)n3ccnc3n2)C1 1845639066 IECOIGOEOKPKOQ-WAYWQWQTSA-N 408.462 0.713 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)COCCOCCNC(=O)OC(C)(C)C)C2 1845958007 KRINBJSMFRVSLH-UHFFFAOYSA-N 409.483 0.381 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC 1847261938 QHOCCRVIMHGATF-LQUVTHPDSA-N 415.490 0.802 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(-n2cncn2)c1 1847262447 NJYRHQIEQRFLFK-RJCMGOLDSA-N 420.473 0.941 30 20 HCED C#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 7943450 BSEQAZAVUMWUJT-UHFFFAOYSA-N 403.254 0.410 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1 48159762 FQLVYYJQAPQYLQ-UHFFFAOYSA-N 401.467 0.803 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CCC#N)CCCN(C)C)cc1 64362110 QTANBSMGGFFFLU-UHFFFAOYSA-N 423.539 0.959 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)CC1 301892914 OTRGAXYICJROIG-UHFFFAOYSA-N 404.540 0.446 30 20 HCED CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 409484050 KLFNIQXNCWBKQJ-INIZCTEOSA-N 423.539 0.978 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 430417723 MNLJYGANDNPYQK-LNLFQRSKSA-N 420.554 0.675 30 20 HCED C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 438870154 ADDNWBIVVOQZRK-MELADBBJSA-N 408.480 0.841 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 439481256 YOVXSKUWUGCTQM-GOSISDBHSA-N 420.535 0.892 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1=O 440258873 JHDQIDVRHOOVQK-INIZCTEOSA-N 402.451 0.337 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1 460610743 HLHJCWRUBNIFMR-KRWDZBQOSA-N 404.430 1.106 30 20 HCED COc1ccc(C(=O)NCCN2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 469714255 VWIKKVUOVHSONA-QGZVFWFLSA-N 413.522 0.994 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475927780 SDEUFTPVYXHAPF-SJORKVTESA-N 404.492 0.447 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(S(N)(=O)=O)c1 480292129 TUEDWJADCLUWNX-GFCCVEGCSA-N 422.488 0.189 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 481236814 XDRADJDYHOOWOI-KBXCAEBGSA-N 412.471 0.925 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 481236827 XDRADJDYHOOWOI-KSSFIOAISA-N 412.471 0.925 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481549364 XAXGDONYJKUMKO-SWLSCSKDSA-N 410.521 0.605 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 485935049 RDKBNQWLBMKQOO-HNNXBMFYSA-N 416.459 0.932 30 20 HCED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](CNS(N)(=O)=O)C1 500306315 JBCSCXXKHVDROJ-NWDGAFQWSA-N 411.553 0.941 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1OC 501993927 KMGZVWOARHMVJJ-UHFFFAOYSA-N 423.498 0.670 30 20 HCED CN1C(=O)C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccnn1C 506868812 UUIMPJHFIGDWHV-ZWOKBUDYSA-N 420.473 0.728 30 20 HCED C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(N)=O)C1 508504490 KMBSSPAPDUMJAO-HNNXBMFYSA-N 409.450 0.551 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 509248262 NQBQUASWMRXIFX-ZIAGYGMSSA-N 412.516 0.444 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 517766629 FBLWWUBBBKKYCF-UHFFFAOYSA-N 402.480 0.210 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 522258956 GOIADMNAQUOYDO-UHFFFAOYSA-N 423.429 0.712 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnc3ccccc23)c1=O 524615073 GCAGKJICLMMLDT-UHFFFAOYSA-N 420.494 0.910 30 20 HCED C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccccc1 533379672 YXCUZKTXMZLIIC-YTQUADARSA-N 420.535 0.409 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 538147599 IAYAESSUCLFAFA-IEBWSBKVSA-N 410.526 0.551 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 543011392 ANABXPUSORGXLB-GFCCVEGCSA-N 421.866 0.981 30 20 HCED CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 545856978 XJTYTNSEESXOLR-MRXNPFEDSA-N 400.357 0.621 30 20 HCED CCOC(=O)c1c(NC(=O)N2CC(=O)N(CCOC)C2)c(C#N)cn1CCOC 549238649 RMGGYUAQIQJFBD-UHFFFAOYSA-N 407.427 0.463 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 550284286 PJGOAUNKRSJSGU-HNNXBMFYSA-N 414.505 0.369 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 556136199 ZEGUFFHEGPCQDX-UHFFFAOYSA-N 419.485 0.878 30 20 HCED C=C(C)Cn1c(CCCC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 558995277 URWYVGMTWQPQLM-UHFFFAOYSA-N 412.560 0.896 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)cc1 560493954 RPZUKATWNYSDLP-INIZCTEOSA-N 418.519 0.935 30 20 HCED CCOC1CC(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)(N2CCOCC2)C1 562597893 OBZVMTCRSWWKEP-UHFFFAOYSA-N 416.478 0.891 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)cc1 564467327 CZSTVHJRRIQMHT-MRXNPFEDSA-N 422.532 0.403 30 20 HCED COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)CC2 569175387 NEEOKXBYPOUVQR-CYBMUJFWSA-N 408.418 0.879 30 20 HCED Cc1nccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 570370534 YIDXMLHZCFQCGA-UHFFFAOYSA-N 400.464 0.284 30 20 HCED C=CCOC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 573508004 VCAVFCNBMVYCBZ-JTQLQIEISA-N 410.901 0.882 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccccc2-n2cccn2)CC1 579871849 CRBCMHUNZGJMML-KRWDZBQOSA-N 424.505 0.496 30 20 HCED COc1ccc(CC(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N1CCOCC1 584275568 HDCXCYGAKMRCIX-LJQANCHMSA-N 424.523 0.219 30 20 HCED CC[C@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCOCC1 610641406 KJRFRLOYGVDLDE-KRWDZBQOSA-N 400.483 0.859 30 20 HCED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1 728573485 XRTBMNAJZCSJLX-SFHVURJKSA-N 403.479 0.005 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)CC1 728716210 AZLOBLJOLGKHOG-UHFFFAOYSA-N 413.521 0.543 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)c2cccs2)c1 731700253 AZALUMPRQPBDLI-UHFFFAOYSA-N 420.468 0.816 30 20 HCED C#CCN1CCC(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)CC1 732094467 IAESTSGSMVHAEZ-IBGZPJMESA-N 411.568 0.070 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3CN3CCCC3=O)CC2)o1 732210363 HBQJVGAGBSNHGE-KRWDZBQOSA-N 414.510 0.980 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)CC1 732220374 NUEGKEORACPYRQ-UHFFFAOYSA-N 419.425 0.782 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CC1 732798454 YBZNAWHMUXWSSB-CYBMUJFWSA-N 415.519 0.676 30 20 HCED COc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1OC(F)F 732910672 RYAYUELVYAPNRE-LLVKDONJSA-N 402.375 0.876 30 20 HCED Cc1nc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccc(F)cc1 732911113 YGFGYBQNSGIELE-AWEZNQCLSA-N 405.411 0.294 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)OC)CC1 733150770 TZNVVKXMOWEWBM-UHFFFAOYSA-N 416.478 0.139 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)CS(C)(=O)=O)C1=O 733200469 DBFLQZDWIMEDRU-JQWIXIFHSA-N 414.509 0.591 30 20 HCED O=C(COc1ccccc1C=NNC(=S)NCCN1CCOCC1)NCC1CC1 734744408 BIJCNBCHQRKWFB-UHFFFAOYSA-N 419.551 0.722 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)Nc3ccn(CCC#N)n3)cnc21 735453341 YRJCFVPPZRYGBQ-UHFFFAOYSA-N 405.216 0.641 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cc(C#N)ccc1F 742733051 SUUZBMVBGSVYDF-UHFFFAOYSA-N 406.439 0.987 30 20 HCED N#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 744551289 AKLSSQUONSDDEC-UHFFFAOYSA-N 412.899 0.642 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 746535041 VGIRVFNMARIHMT-GOSISDBHSA-N 423.404 0.977 30 20 HCED C[C@H]1C(=O)Nc2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)ccc2N1C 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COC(=O)CN(CC#N)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 778288413 ZQEJEIULKVMBPJ-BQYQJAHWSA-N 400.435 0.425 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 778774156 ZCJHJDGZXILUTP-INIZCTEOSA-N 417.447 0.309 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)cn1C 780658377 HOUFVFNUJGEPCB-UHFFFAOYSA-N 403.468 0.211 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CNC(=O)c1ccc2c(c1)OCO2 781602733 ZAYKHSSUYWXNCK-UHFFFAOYSA-N 405.363 0.661 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 782052598 VXTSFIVUMRJCJM-RAJOGRCSSA-N 424.523 0.756 30 20 HCED COCCN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 782958438 FNJRJZDDHGPSLU-KBPBESRZSA-N 409.464 0.578 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 783464908 NZFOVVTVPCODCE-INIZCTEOSA-N 404.426 0.965 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787602404 FJYGHXDJZUGNJE-GFCCVEGCSA-N 422.463 0.417 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 787786902 FFUZLUJOOHQHHK-CVEARBPZSA-N 413.434 0.425 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)n1 796142645 MTWUJDFJDCKDDR-MRXNPFEDSA-N 418.479 0.870 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(N)(=O)=O)ccc2Br)C1=O 799026720 OSZLUCFKLAOXJF-ZDUSSCGKSA-N 416.297 0.955 30 20 HCED C=CCN1CC[C@H](N(C)Cn2nc(CCC(N)=O)n(C[C@@H]3CCCO3)c2=S)C1=O 799142409 SAJYIWPGUYANCN-GJZGRUSLSA-N 422.555 0.687 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N2CCOCC2)cc1OC 916924120 RJCGVNXKCLONIY-INIZCTEOSA-N 417.462 0.710 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 919182817 UGCDDWZXOMTJLP-RDJZCZTQSA-N 405.426 0.635 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(-n2cnnn2)ccc1Cl 920003960 XZGATAIABFGIPY-UHFFFAOYSA-N 417.838 0.993 30 20 HCED CNS(=O)(=O)c1ccc(CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1116025218 KJURPFLTOUXFAJ-ISLYRVAYSA-N 406.464 0.170 30 20 HCED C[C@]1(C[C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)NC(=O)NC1=O 1117296409 DZEIUYOXZSMYPI-HNAYVOBHSA-N 418.475 0.452 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 1122498977 DFSZNDGHUZGBHJ-AWEZNQCLSA-N 421.413 0.910 30 20 HCED N#Cc1cn(CCC(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(=O)nc1O 1136431614 KDXGUAQRMBKNMH-UHFFFAOYSA-N 407.381 0.147 30 20 HCED CS(=O)(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1252508714 UCEGEGIUBMRAOS-UHFFFAOYSA-N 405.524 0.809 30 20 HCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1287786693 KSBGTWVAQJKEPG-KSZLIROESA-N 404.515 0.868 30 20 HCED O=C(Nc1cn[nH]c1)[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1298226187 JEPLBMBYPVSOAA-GFCCVEGCSA-N 416.463 0.326 30 20 HCED COCCN1C[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)CC1=O 1316123243 PZOZFJULZNCMLR-HZPDHXFCSA-N 417.514 0.491 30 20 HCED CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318393632 ZFLBZFATSRGAPB-KRWDZBQOSA-N 411.506 0.970 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ncccc2C(F)(F)F)c1=O 1320398811 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416.507 0.918 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1622134791 MRPUAZJGOBTABH-CHWSQXEVSA-N 412.434 0.436 30 20 HCED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1770461398 SNVHZOIZMIVFMX-OAHLLOKOSA-N 405.480 0.651 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778950081 GVFOIMGGZKDZHT-OXQOHEQNSA-N 410.515 0.507 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1778967309 KHFRGSAUXZIVGE-XOBRGWDASA-N 408.474 0.884 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1778967974 KDPOLBXCHGDEAU-IERDGZPVSA-N 403.479 0.402 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061318 COLZVJZSDLNLQO-GCJKJVERSA-N 419.522 0.430 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138923 JJUUIXBJMVCPMM-ZFACZLJDSA-N 418.494 0.833 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)[C@H](O)C=C)C1 1779334933 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410.496 0.386 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836874857 VGEGWSLEAXJSNH-SCLBCKFNSA-N 405.480 0.118 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836973856 JNOAVGJDLLZCON-NRFANRHFSA-N 415.494 0.839 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837679101 DYNMCTKRULAQRB-XGHQBKJUSA-N 409.527 0.960 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260932 ZZUCDQQESAGUKX-BZNIZROVSA-N 400.888 0.518 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838649838 NRVXCUINBAROGE-KKSFZXQISA-N 419.478 0.430 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n(C(F)F)n1 1838712273 ZIWVVYKYYICEKQ-SFHVURJKSA-N 411.409 0.960 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1C 1838735902 AXPGNNHAVDUVRH-NRFANRHFSA-N 411.462 0.917 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnnc4)C3)C2)c1 1838906547 PFIHNPOLLQHLAA-NRFANRHFSA-N 407.430 0.732 30 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C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840161453 PDVBKTRHVJIXJE-LIRRHRJNSA-N 404.492 0.723 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H]4CCOC4)CCO3)C2)c1 1840589224 CBODGFLFTCUEJH-IERDGZPVSA-N 416.478 0.773 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840599242 MHFHKOKUHZOKEM-GSZSCORPSA-N 421.494 0.772 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840837926 KCMJMAYXWJYZPF-OLDFGLLWSA-N 410.467 0.047 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(CC)CC3)CCO2)C1 1840927094 HTDODOLUPLBBPK-AVRDEDQJSA-N 421.538 0.213 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)C1 1845103963 PQZVPPVOARYKDZ-IAGOWNOFSA-N 417.506 0.831 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)c[nH]1 1847513549 ZPWKQNBFRPMJHG-JYJNAYRXSA-N 417.466 0.587 30 20 HCED C=CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 30695364 CJJNTENJFFJCHX-UHFFFAOYSA-N 408.524 0.501 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)c1 55214580 RPHZQIZUBORHBV-UHFFFAOYSA-N 401.510 0.305 30 20 HCED C=CCN(C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 108938586 RQXCCTWYZYYQRO-GOEBONIOSA-N 408.455 0.447 30 20 HCED N#CCCN(C(=O)CCC(=O)NCCS(=O)(=O)N1CCOCC1)c1ccccc1 111199673 BWGUMSHGKLFKFD-UHFFFAOYSA-N 422.507 0.492 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CCO1 409569390 DRDBUUAFEAIZPK-PBHICJAKSA-N 414.915 0.772 30 20 HCED C[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CN1CCOCC1 410136632 JTIYPHREWFAMSY-OAHLLOKOSA-N 407.414 0.939 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)CC1 433217746 CWLOLYVNGUWZIX-LJQANCHMSA-N 419.551 0.395 30 20 HCED COc1ccc(CCNS(=O)(=O)c2ccc(C#N)s2)cc1S(N)(=O)=O 435431969 LDOIMHXXZMUZKD-UHFFFAOYSA-N 401.491 0.797 30 20 HCED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 439017727 INLRMFCWCYUWQI-KDOFPFPSSA-N 418.519 0.901 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C1=O 440248803 XLQRVVCLPUFFRB-KRWDZBQOSA-N 414.462 0.406 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)C1=O 440989664 LUENHSDUKAURIC-GFCCVEGCSA-N 414.853 1.415 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)c1C 442292233 FFAIBGXNKCVQLI-QGZVFWFLSA-N 424.461 0.399 30 20 HCED Cc1cccc([C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N2CCOCC2)c1 444597980 NRZTVHMLCLIJFI-SFHVURJKSA-N 410.478 1.233 30 20 HCED CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446529984 GCGSLZSINLTNOG-UHFFFAOYSA-N 422.507 0.244 30 20 HCED Cc1cc(C)n(CCCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)n1 460572679 KKTHJEOMPLBVOI-UHFFFAOYSA-N 406.450 1.406 30 20 HCED CN(Cc1nc(CN2C(=O)NC(C)(C)C2=O)no1)S(=O)(=O)c1ccc(C#N)cc1 460840887 RUMQCSTYUAEGFR-UHFFFAOYSA-N 418.435 0.592 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 465071730 OULVNQWUKADRNY-ZBFHGGJFSA-N 415.537 0.599 30 20 HCED C[C@H](CO)N1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 470935354 WVOIQMRHHXRCRC-CQSZACIVSA-N 414.441 0.737 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)Nc3cccc(C#N)c3)cn2)C[C@@H](C)O1 475602958 MKGPHBQZJLDKPM-ZIAGYGMSSA-N 410.434 0.968 30 20 HCED CN1CCN(C(=O)C2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)CC1 477030286 DITZXHMSJCYDML-LJQANCHMSA-N 409.490 0.676 30 20 HCED COC(=O)C1CCN(CCCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 477902609 JPKWROALWWNTJD-UHFFFAOYSA-N 421.519 0.864 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccn2)c1=O 480046427 STIYWZGZANVBGF-UHFFFAOYSA-N 400.504 0.761 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 481145253 SDRWIVUTELQRPA-GUYCJALGSA-N 400.460 0.438 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 481748538 UIGJPOIKWMINJR-HNNXBMFYSA-N 416.507 0.303 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 481807447 LKZWTBCHTZEFCX-NVXWUHKLSA-N 408.524 0.794 30 20 HCED N#CCCn1cc(C(=O)N2CCN(C(=O)CO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 481825781 PPDRQDMZHWLHCC-UHFFFAOYSA-N 412.406 0.649 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482185743 SQGLKCSQFSMXHR-WFASDCNBSA-N 402.480 0.504 30 20 HCED COCCN(CCOC)S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486638248 JRKXFSGXJUBOOU-KRWDZBQOSA-N 410.496 0.088 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)cc1 488815021 ASYVDCZQZIIBIM-CQSZACIVSA-N 401.510 0.305 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCC1 491299385 SGZYJXLLIYRDJU-UHFFFAOYSA-N 423.477 0.901 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 497497460 ZSMPMOTXEHERHL-ZDUSSCGKSA-N 420.495 0.270 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 506471919 XCILEJJSVUCNRJ-HNNXBMFYSA-N 423.491 0.948 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1Cl 518974652 AZBVCJGSRZUMOY-ZDUSSCGKSA-N 421.928 0.978 30 20 HCED COc1ccc(NC(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 520696107 WOSZNQXCUOCDTE-CQSZACIVSA-N 410.452 0.472 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cnn(CC)c1 523859312 JFQZKILJIFHRHB-UHFFFAOYSA-N 408.487 0.540 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 524281268 OHPWCQUDUNNANA-LLVKDONJSA-N 414.443 0.422 30 20 HCED CCCCn1c(N)c(N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(O)nc1=O 538148054 UMVCLQYOIFSTDK-OAHLLOKOSA-N 419.530 0.460 30 20 HCED C=CCNC(=O)CNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 539702706 SLLVEDFZFSCPRA-NRFANRHFSA-N 420.469 0.918 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 540455246 ZDCAOCPLDOVDJQ-LBPRGKRZSA-N 420.495 0.630 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 544336418 PMRVZDCDOKWAEW-UHFFFAOYSA-N 412.406 0.830 30 20 HCED C=CCn1c(Cc2noc(-c3nc4nccc(C)n4n3)n2)nnc1N1CCOCC1 545640448 OACDZVVQYZEKIF-UHFFFAOYSA-N 408.426 0.688 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 546003703 XJLGFEPWHIUAOY-UHFFFAOYSA-N 400.435 0.603 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 553733993 UHJSZAPSFVWILJ-GOSISDBHSA-N 419.570 0.298 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC#N)CC2)c(C)c1 553765952 CRDSUQRFZPWGFT-UHFFFAOYSA-N 406.508 0.769 30 20 HCED COC(=O)[C@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 556096127 PRJAFFBGPRZPLA-QGZVFWFLSA-N 409.446 0.878 30 20 HCED CC(C)(C)c1csc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)c1C#N 556160207 TUXSBQHQOQNJBX-SNVBAGLBSA-N 403.464 0.025 30 20 HCED CN(C)S(=O)(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 561647010 BHYYPTNOHCECNH-UHFFFAOYSA-N 400.460 0.855 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCC[C@H]2C1 562222947 DDNOTMBMJBDHRH-JQHSSLGASA-N 404.492 0.600 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 582389932 KAHOZSBTJRBAEQ-SFHVURJKSA-N 412.471 0.754 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 583315331 MKHYGGZZOSWRNE-UHFFFAOYSA-N 414.491 0.763 30 20 HCED Cc1cccn2cc(CCNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)nc12 588301667 BXRXTNOWTOFTTJ-UHFFFAOYSA-N 408.466 0.570 30 20 HCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 604465896 IDXZSEODVJIRPQ-GOSISDBHSA-N 408.524 0.655 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 604509684 FANMQEJHMWOLLM-UHFFFAOYSA-N 405.418 0.987 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 609087573 WSBCTFUQGYKLJX-LLVKDONJSA-N 416.406 0.638 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](CCO)C2)CC1 609204263 ZBCNFVVLEIPNCX-QGZVFWFLSA-N 420.535 0.486 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 610135109 RLNFFKPJTDEMCM-OAHLLOKOSA-N 401.510 0.634 30 20 HCED Cc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1C 727163753 HSVDSYMGBMIOAR-UHFFFAOYSA-N 416.528 0.411 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCOCC2)c1 728403928 AVKSFEFQRAERDI-PGMHBOJBSA-N 408.480 0.733 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 728572962 RIKGQCKEVYUTDX-INIZCTEOSA-N 402.495 0.076 30 20 HCED CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 729787073 OJBJXIQUPLHZGX-UHFFFAOYSA-N 410.434 0.635 30 20 HCED N#CCSCC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 731706731 NBWMLGQEHXUEIS-INIZCTEOSA-N 419.459 0.297 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732154821 UZTJYPLMPIUMGC-ZPHPHTNESA-N 420.491 0.877 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](N4CCCCC4=O)C3)CC2)o1 732807023 FLGIBPPRGVIBAL-QGZVFWFLSA-N 414.510 0.980 30 20 HCED C#CCCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 744366323 MUDNIWKVMWQEPH-UHFFFAOYSA-N 400.298 0.878 30 20 HCED N#CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1)c1ccccc1 745151197 FNAIVSZEMCDSFE-UHFFFAOYSA-N 423.472 0.732 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)ccc1F 750073488 ZXIZXFLGVONJGM-UHFFFAOYSA-N 421.454 0.513 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 752395184 XALDGOTVSIPSRL-UHFFFAOYSA-N 407.477 0.676 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4cc(C#N)cs4)CC3)ncnc21 752586418 DNQAYSKSMHRUBQ-UHFFFAOYSA-N 411.447 0.802 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 758051222 XZRDRPHPMRHGBR-UHFFFAOYSA-N 415.421 0.926 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2OC)c1=O 758052467 DNBURVMLSSBKEL-CQSZACIVSA-N 411.483 0.206 30 20 HCED C#CCCCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773592066 BYHBUZPIEOLZOI-UHFFFAOYSA-N 417.509 0.504 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 775105981 KQSCAZPEAFPLIJ-UHFFFAOYSA-N 401.261 0.382 30 20 HCED C#C[C@H](NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCCO1 775805611 GXZCOORSDSLQFN-ROUUACIJSA-N 421.519 0.094 30 20 HCED C=CCN(CC(=O)OCC)S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 780735799 QJNVEBQMAYVCHZ-UHFFFAOYSA-N 402.494 0.867 30 20 HCED N#Cc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)nc1 782731530 OOEORGQJOLCVIB-UHFFFAOYSA-N 406.489 0.895 30 20 HCED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 783413787 JSFIMBRUYYFWPK-UHFFFAOYSA-N 414.505 0.922 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1nc[nH]n1 785057547 INTLWPGPZLIEDQ-LMKLXAMOSA-N 419.467 0.433 30 20 HCED C#CC[C@]1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 788271398 RRMQEWBUHHDVGC-HXUWFJFHSA-N 404.467 0.980 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1OC 791177840 FZTHJLGIPXBIPX-UHFFFAOYSA-N 415.475 0.832 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 799181010 SQSJYIZARKMERM-PMPSAXMXSA-N 403.508 0.887 30 20 HCED Cc1ncc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 815275754 DGIKHDRHLLIAHU-INIZCTEOSA-N 400.416 0.871 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 815860268 DGPAVECPNWWCHV-UHFFFAOYSA-N 400.479 0.477 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 815860472 MTNLBMQBGDNFOZ-UHFFFAOYSA-N 422.551 0.914 30 20 HCED CCc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1S(=O)(=O)N1CCOCC1 816758330 NBPKCRSFGXZSTQ-HNNXBMFYSA-N 411.480 0.380 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cncn4)nc3)CC2)o1 915384871 FGBCVFZAFVUIDD-UHFFFAOYSA-N 422.405 0.336 30 20 HCED C=CCOCCNCc1nnc2n1CC[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CC2 1128012149 JSAFTDWIRRYLPP-YYXZMQKJSA-N 401.511 0.815 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1141968883 QEQXXZGWHKEQMS-IAGOWNOFSA-N 417.491 0.565 30 20 HCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)N(C)C 1288673186 LHWVKWASVPKHKJ-WBVHZDCISA-N 424.509 0.893 30 20 HCED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1314637893 XLJLQOLSCDFUQQ-MRXNPFEDSA-N 416.507 0.918 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1326089993 KFUCIXLPKZGCMI-YKHTYXQRSA-N 402.451 0.070 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1360477266 XTDFNNZMHCDUTN-KBPBESRZSA-N 420.495 0.942 30 20 HCED COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1518371783 QMRUBYKNUCIAEH-KRWDZBQOSA-N 408.459 0.945 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc(C(F)(F)F)n1 1556409509 YGZUVLZKWYYQQV-MRVPVSSYSA-N 403.342 0.943 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1565165785 ACUZWNHLMFLZSQ-STQMWFEESA-N 405.430 0.595 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593872637 JVOCFVMSZXPUON-RYUDHWBXSA-N 419.877 0.514 30 20 HCED CS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1620167109 UDDPEWKBFAONEN-GFCCVEGCSA-N 424.508 0.043 30 20 HCED COCCN(C[C@H](O)C(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1628081222 WREDVZBICBEVNX-ZDUSSCGKSA-N 409.386 0.235 30 20 HCED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1695506170 NMIPCABJJURVEJ-AWEZNQCLSA-N 412.516 0.025 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)CC1 1698490624 XZQBGHDXIQSKGS-HNNXBMFYSA-N 406.512 0.794 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)CCOC 1744097100 OAOSEGMUSYZLHB-HNAYVOBHSA-N 408.503 0.713 30 20 HCED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CC1 1750388920 OLEKRUDUIUKLGR-HOTGVXAUSA-N 409.512 0.726 30 20 HCED CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760820562 XSPFLIVEOBQUNU-OAHLLOKOSA-N 410.482 0.593 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1779102086 WOAFSRANYMXHJL-MDAVEZEFSA-N 418.450 0.760 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1781266956 HFZGBAYCAQVSIH-FQEVSTJZSA-N 404.467 0.681 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814450 UJKJEDWYSIRZSD-HRAATJIYSA-N 420.462 0.820 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1782197268 UFXSWRHMAXZQCH-LUQKVYGDSA-N 415.494 0.685 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1782916837 OZVGMKNBQOQFLJ-HXUWFJFHSA-N 422.478 0.669 30 20 HCED 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COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835345141 FLIZLEHKDIRTAP-QFIPXVFZSA-N 424.457 0.941 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837552195 CICGOUILWUVFKV-RAIXIZIVSA-N 417.462 0.491 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837816302 FGDRITBSDCCPOO-QHCPKHFHSA-N 421.453 0.909 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838094699 SCHPGYBMGIUCCM-UWJYYQICSA-N 418.494 0.428 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(O)cc4)CCO3)C2)c1 1838970792 KBBPLXPZWGLQLZ-OAQYLSRUSA-N 410.430 0.976 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(C)=O)C2)C1 1839176456 PJJOFUVXIUWHRG-VFNWGFHPSA-N 424.494 0.567 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839574283 CETWTKGPIABQDT-RNODOKPDSA-N 419.503 0.570 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(Cl)c(F)c3)C2)C1 1839806645 VDMXWEWGAZYJEV-IBGZPJMESA-N 410.829 0.948 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(Cl)cccc4n3)C2)C1 1839807770 CZJFTWSTENZEBN-IBGZPJMESA-N 402.838 0.691 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839839849 OKPOMFQOSILVRT-MGPUTAFESA-N 404.467 0.767 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007315 YQTKPNYEZAXJJC-LZBANZJXSA-N 418.490 0.590 30 20 HCED COc1cncc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1 1840157778 ACLWJQWSTBCWFW-FOIQADDNSA-N 423.535 0.798 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840163864 QDXKVASTDOKPDY-BXWFABGCSA-N 401.573 0.739 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840167091 WYFRWBPYQTUYCV-OAQYLSRUSA-N 401.463 0.259 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840292973 YFDGSGMDTJEXFN-OAQYLSRUSA-N 402.495 0.842 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1)C(F)(F)F 1840326710 SVAFOLXAIKZHKH-KRWDZBQOSA-N 416.400 0.917 30 20 HCED C[C@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CCC3)CCO2)C1)C(F)(F)F 1840812517 VQZNLFXDGAWOJT-DOTOQJQBSA-N 419.400 0.450 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840840657 ZPHRRSWCTLVREF-FQEVSTJZSA-N 404.467 0.605 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3sccn13)C2 1841601274 JKNCTQVJCXYGSA-CYBMUJFWSA-N 400.460 0.611 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CC3(CCCN3C(=O)CC#N)C2)C1 1842621319 XYPRPGZGBPIGQC-BTYIYWSLSA-N 418.494 0.987 30 20 HCED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)CC[C@H](N)C(N)=O)C1)c1ccccc1 1842945528 CNICYRCAQCWIKM-OALUTQOASA-N 410.518 0.980 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2C(=O)OCCO)C1 1844718323 MECZDBZTMZQQTM-MRXNPFEDSA-N 414.458 0.691 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847069071 KTHJKZKLRRMPCW-CQSZACIVSA-N 403.435 0.194 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCC(=O)NC2)c(C#N)c1 1847321394 POZLTBIAUIRZIP-SNRMKQJTSA-N 410.474 0.837 30 20 HCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 115844846 NQBIUNKZHDTJCV-UHFFFAOYSA-N 406.917 0.067 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 409504556 ZILHEIQSFWNGAP-JTQLQIEISA-N 414.962 0.996 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CCO1 409579962 ILQOIKBYNIZDKF-NEPJUHHUSA-N 403.258 0.034 30 20 HCED CC[C@@H]1CN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 427720739 GQXBOAPEHIIIOA-QZTJIDSGSA-N 413.478 0.990 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@](=O)CC[C@@H]1C 433528004 KJOLPEMZTGGIRK-OIJAAMDRSA-N 400.464 0.755 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1C 439486532 OOCDWAUYXXOQIG-UHFFFAOYSA-N 406.450 1.056 30 20 HCED C=CCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 440296581 OYEKGXXJICDJSW-MSOLQXFVSA-N 406.504 0.788 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)Cc1cnc(N(C)C)nc1 441620017 CJYUMIJMDCOTCT-UHFFFAOYSA-N 419.449 0.901 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2)c1C#N 472164012 ZPHCWGZGAPYBHA-INIZCTEOSA-N 402.547 0.458 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NC(=O)c3n[nH]c4ccccc34)CC2)c1C#N 472997670 GVNUTFUJOSNMIY-AWEZNQCLSA-N 420.477 0.944 30 20 HCED CC(=O)N[C@@H](C)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 475672543 OXXKSYJZXYGNJR-KBPBESRZSA-N 406.508 0.988 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCN1CCC[C@@H]1CO 476418793 LIIRIJJONHODIG-NVXWUHKLSA-N 408.524 0.578 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 486034515 FOWCRKVZUROROX-UHFFFAOYSA-N 405.455 0.575 30 20 HCED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 488743013 HEYGXKZOBKMLSQ-UHFFFAOYSA-N 412.431 0.132 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)CC2)cc1 506404859 DMZIWVRXPJSXTI-INIZCTEOSA-N 407.492 0.967 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)C1=O 510250171 AIVGSCCHBOASBG-UHFFFAOYSA-N 408.436 0.161 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCCSC 512776205 KFQBZPDGFMFYOQ-UHFFFAOYSA-N 419.576 0.909 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 512939591 FXNDEZYCBZBYOI-SFHVURJKSA-N 405.524 0.399 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(C#N)cc1 524046166 AHVPSZZCGUNXDF-INIZCTEOSA-N 414.491 0.754 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN2CCCC2)c2ccc(OC)cc2)C1=O 536094241 CWPAJNPIFXNELU-QGZVFWFLSA-N 414.462 0.925 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)c1 540479563 ONBUPHIKQKVFCM-HNNXBMFYSA-N 409.508 0.860 30 20 HCED COC(=O)CN(Cc1cc(OC)cc(OC)c1)c1c(C#N)c(=O)n(C)c(=O)n1C 540490827 FSHBVSOENQTONF-UHFFFAOYSA-N 402.407 0.152 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c1 549744478 VRDAHMBSEZNLPB-MRXNPFEDSA-N 422.551 0.871 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)C2)nc1 551428593 BULOJLUWXJJQLL-INIZCTEOSA-N 404.390 0.547 30 20 HCED CN(CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCC1 557743926 ZFBXMMJHOFIDCH-LJQANCHMSA-N 411.506 0.766 30 20 HCED CCS(=O)(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 562205363 NKODTSDOETWWMD-UHFFFAOYSA-N 421.500 0.947 30 20 HCED CC(C)NC1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 567422592 KCGLXVNOJBPGRX-LJQANCHMSA-N 411.506 0.764 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2snc(C)c2C#N)CC1 576869487 BNZURKQTLAUVCC-UHFFFAOYSA-N 421.504 0.942 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2[C@@H](C)[C@@H](OC)C2(CC)CC)CC1 578802237 UAVTXFQYHNIMRV-KBAYOESNSA-N 408.543 0.389 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3n[nH]c(CO)n3)CC2)cc1 581348576 ULNXNJTXWOCZRL-OAHLLOKOSA-N 402.480 0.807 30 20 HCED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1F 583098124 OTZMJHVRXINCPF-UHFFFAOYSA-N 406.395 0.536 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)CCCN(CC#N)S(=O)(=O)N(C)C)cc1 583409913 KILBXSBBJJAPFE-UHFFFAOYSA-N 402.498 0.441 30 20 HCED COc1ccc(OCCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 585693619 WHXYHCNNNUVZKT-UHFFFAOYSA-N 409.446 0.806 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 589051768 HIKXNGFHJJXFLE-ZDUSSCGKSA-N 409.464 0.417 30 20 HCED CN1CCN(CC(=O)N(C)c2ccc(NC(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 609282197 KFWWXGOVLLBTMM-SFHVURJKSA-N 400.483 0.653 30 20 HCED COCCn1ncc2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc21 609936112 BJTFXGDOZOACMX-UHFFFAOYSA-N 410.438 0.547 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 610000372 DHLUANCTSHXCKL-HNNXBMFYSA-N 402.524 0.882 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C)c1C(F)F 611149803 XWGMCSXORMPMMO-JTQLQIEISA-N 404.381 0.695 30 20 HCED C=CCCOCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655550 BYQKQUKMRQSLQC-HIFRSBDPSA-N 413.452 0.428 30 20 HCED C#Cc1cccc(NC(=S)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c1 726465023 LIUBFBNQWWTXKZ-UHFFFAOYSA-N 407.565 0.475 30 20 HCED CO[C@@H](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 726724445 PYPSMLHCGBITKC-JPDJOPTESA-N 410.496 0.979 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)NCc2cccs2)cc1 727012026 DWBOSYLFWOACDD-UHFFFAOYSA-N 400.416 0.919 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 728532295 SZUNKGBIGICNOK-INIZCTEOSA-N 412.519 0.554 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 728533968 VRJVFOHMEZVOPC-MRXNPFEDSA-N 402.520 0.636 30 20 HCED CC(=NNC(=S)NC1CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729817194 WPFSDRQICDKJAU-UHFFFAOYSA-N 404.539 0.763 30 20 HCED N#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 730504509 SKEVHVYTWMRVNN-MEQKGCOVSA-N 409.490 0.894 30 20 HCED C=CCc1ccc(OCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(OC)c1 732909956 JSFZOBBUKROWQE-OAHLLOKOSA-N 406.460 0.768 30 20 HCED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)N1CCS(=O)(=O)CC1 732910286 MSZUPXWNVGAUHH-QWHCGFSZSA-N 423.878 0.659 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1=O 738111502 PNXXYUAEPCVCTQ-HNNXBMFYSA-N 421.498 0.442 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 741206678 JWBMHUSXHYMIBU-UHFFFAOYSA-N 412.493 0.644 30 20 HCED C[C@H](CC(=O)N1CSC[C@H]1C(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742611461 RUYRUDVYGGPAOD-YPMHNXCESA-N 410.521 0.493 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 743912949 BGUVKBUGWDQDGI-AWEZNQCLSA-N 404.442 0.480 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744031640 AFYCYFIYWNIINO-ZRJZNHTDSA-N 411.414 0.895 30 20 HCED CNc1ccc(S(=O)(=O)NCC(=O)OCc2ccnc(C#N)c2)cc1[N+](=O)[O-] 746960162 QPUOLIPZESDBFP-UHFFFAOYSA-N 405.392 0.925 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 747822655 BMBYRMASMAPETL-GOSISDBHSA-N 409.552 0.406 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCNc2ncccc2C#N)c(C(=O)OC)s1 751043371 JBTGZZSIDFUNDP-UHFFFAOYSA-N 424.460 0.978 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1cccn(CC(=O)OCC)c1=O 754488120 IKKHBRPGRVLHEV-UHFFFAOYSA-N 411.414 0.678 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](Cc1ccccc1)C(N)=O 754844695 FWSYJWQHOOKOAN-CXAGYDPISA-N 401.444 0.865 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)O1 758660458 FKAUAIDJQGVNCJ-KBXIAJHMSA-N 409.487 0.680 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cn1 758765615 ZDVGVJYWTLTNSE-HIFRSBDPSA-N 417.470 0.537 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CCOC 760378528 PRMLDHIZDLKRFX-UHFFFAOYSA-N 420.922 0.942 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 761079471 FXQFCSOTLZGEMR-INIZCTEOSA-N 405.524 0.027 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCC(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O 768368567 ZRFHEPIWYFHAFS-UHFFFAOYSA-N 414.484 0.250 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C2=NCC(C)(C)S2)CC1)c1cc[nH]n1 772282643 VDDZEOANSOQXNJ-UHFFFAOYSA-N 422.511 0.719 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccc2c(c1)CCS2(=O)=O)c1cc[nH]n1 772354141 GVJULCWRDGQASL-UHFFFAOYSA-N 420.447 0.340 30 20 HCED C=CCN(C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)[C@@H]1CCS(=O)(=O)C1 773853672 XMQMQBSYRJREGS-CQSZACIVSA-N 407.423 0.689 30 20 HCED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCO1 773856367 GWTIBIRCEJPFSG-CYBMUJFWSA-N 406.443 0.487 30 20 HCED C#C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 775385478 IGBCBVUVQHDJOV-OAHLLOKOSA-N 407.492 0.296 30 20 HCED C#C[C@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 775386201 UWLZDPXPWQEBJS-GWCFXTLKSA-N 405.398 0.756 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccc3c(c2)CCC3)CCC1 784213266 OSENYHZHFSDSFY-ROUUACIJSA-N 411.458 0.856 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 786995391 CYEBQUHZJXUQLT-SFHVURJKSA-N 414.462 0.753 30 20 HCED C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1(C#N)CCC1 787551401 RLGGEBBUNUUWIM-SNVBAGLBSA-N 400.347 0.685 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)n1 789788341 QSPYBBMBRQLHLK-UHFFFAOYSA-N 409.446 0.416 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 799287581 RTSAMJKRGWPXFE-CQSZACIVSA-N 411.480 0.165 30 20 HCED 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424.465 0.836 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)n3cncn3)sc2C1 1826781871 JDTNZRFJXDBISX-XQQFMLRXSA-N 402.480 0.946 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1828882546 OSHBRSURKSVZNI-DLBZAZTESA-N 404.515 0.866 30 20 HCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1829267645 WOQJTCBPQUBQIU-QFIPXVFZSA-N 423.425 0.160 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1830064872 WNYMFXUZGZQUHB-GCJKJVERSA-N 415.490 0.596 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1830645995 MUSAERIWJOTCEM-XMSQKQJNSA-N 419.522 0.737 30 20 HCED COCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1831380948 SGQNVZRZGAYYOS-UKKLRFBMSA-N 422.526 0.341 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccnc3)C2)C1 1831387106 LOURIEZGOBCKEO-AVEGBXRASA-N 413.474 0.590 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1831485400 CFALTOGDHZRKMG-QAPCUYQASA-N 410.496 0.207 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831866751 AAMIGJGZMJDBDN-OXJNMPFZSA-N 406.483 0.390 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4c(F)c(C)nn4C)CCO3)C2)C1 1833702226 OKAKFAXOMMSYHL-HXUWFJFHSA-N 406.458 0.904 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1833854321 GLJZZIOHWZLFKO-FFCJBUTOSA-N 414.462 0.807 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(=O)oc3)CC2)CC1 1834338367 LVIGOECGDPLYOQ-MRXNPFEDSA-N 415.490 0.863 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835360386 ZRRRRCOXXZOJPF-OAQYLSRUSA-N 424.461 0.845 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835707737 PDWBCYMCWRDNFY-QFBILLFUSA-N 424.448 0.749 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835840502 UGZXKQIWUGNKGA-ACJLOTCBSA-N 410.496 0.386 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)s1 1836074864 DSDJWSKHJSPSKB-SFHVURJKSA-N 407.496 0.395 30 20 HCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1)n1cncn1 1836170923 XICLGLFKOABIMS-OAHLLOKOSA-N 424.509 0.924 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)cc1 1836353004 CGZLTKUSTGSJBO-HXUWFJFHSA-N 410.434 0.255 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837038830 DLXWYCPJKVNEEH-LJQANCHMSA-N 401.398 0.686 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837073749 PFVBDKRWRASZSH-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1837395244 VELFFQIMJLTRDR-BEFAXECRSA-N 409.508 0.786 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1837559965 KUXBIJZEDSVZIL-POKCZJJJSA-N 419.463 0.320 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837964393 FCYJWHOJWWBPDR-LPHOPBHVSA-N 412.508 0.796 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838645654 OYEWARIJMHIRFS-IBGZPJMESA-N 407.492 0.776 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1839223630 BFKLHSYBAWNVNK-JXFKEZNVSA-N 406.483 0.896 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839228812 PKQXMPSZUIQUSU-GXAQHZSOSA-N 409.483 0.136 30 20 HCED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)COC1 1839776428 IQIRZHDGCFHBOO-OAQYLSRUSA-N 422.526 0.151 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1839846246 MPDPWQDFMLXLNU-BEFAXECRSA-N 412.556 0.139 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839885240 KAFJQZOOAJYFHC-NRFANRHFSA-N 414.462 0.154 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OCC)c(OC)c1)CCO2 1840087089 GPGZMULNPAVDTQ-JOCHJYFZSA-N 416.474 0.726 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1840160636 OBHFFFWJSQAOHH-VLIAUNLRSA-N 422.503 0.846 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840211178 XDVPMXLQKUTFAC-VFNWGFHPSA-N 419.453 0.731 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)(F)Cl)CCO3)c1 1840285366 DAPQMQQSJFAXTP-HNNXBMFYSA-N 402.785 0.788 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1cccs1 1840377817 YFQGTLDFXNQABN-AUUYWEPGSA-N 406.460 0.396 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840617147 XKSBBWVKFFQUGI-JTSKRJEESA-N 424.538 0.975 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)CCC1 1840813913 DUBKKLBDPSACJI-NRFANRHFSA-N 424.461 0.493 30 20 HCED O=C(O)c1cnncc1C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283013 GBAGMSWCDKEKFC-UHFFFAOYSA-N 412.446 0.690 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1845438794 UCKWOKPAYKAXTD-PPAWOMOGSA-N 420.466 0.745 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOC)C1 1846248647 AITKJCUAYOVQGU-QGZVFWFLSA-N 412.527 0.833 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(CS(C)(=O)=O)nc1 1847800918 FPFYIRRTGVMWNE-JLSDUUJJSA-N 419.503 0.480 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1848061860 KUFPXRBIEHRPJS-KBPBESRZSA-N 410.521 0.573 30 20 HCED N#Cc1nc(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)[nH]c1C#N 26269395 CMHJAMIPWRRZJD-LBPRGKRZSA-N 400.420 0.863 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)N4CCCC4)CC3)CC2)o1 29711258 YPMWQPIFAKRFKJ-UHFFFAOYSA-N 414.510 0.838 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(CC#N)c3)CC2)C[C@@H](C)O1 52561647 NLWPUHZJYZPPJI-HZPDHXFCSA-N 406.508 0.864 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 108938539 BEANUACATUQKSM-KXBFYZLASA-N 423.466 0.794 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 409579659 HBBNDIUQHMYKTD-CYBMUJFWSA-N 419.301 0.672 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)OCC)cc1 428102630 NXUSSPFUZCDGOE-ZDUSSCGKSA-N 411.480 0.747 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1S(=O)(=O)N[C@@H]1CCOC1 435021470 QCVCEXYNXCUVRC-TZMCWYRMSA-N 424.479 0.461 30 20 HCED C=CCCN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 435318061 FIVBPEPVWPQFAS-CQSZACIVSA-N 411.480 0.735 30 20 HCED CN(Cc1nc(CC(=O)N2CCSCC2)no1)S(=O)(=O)c1ccc(C#N)cc1 445553944 OEYQLHSXHZAKMW-UHFFFAOYSA-N 421.504 0.880 30 20 HCED N#Cc1cc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1F 446530503 NBJIKXRCEHREQW-LSDHHAIUSA-N 409.439 0.831 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)ccc1S(N)(=O)=O 447447948 DZLPXURAGJICNA-UHFFFAOYSA-N 418.479 0.721 30 20 HCED COC(=O)c1ccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)o1 460577090 DREMCTQKKPZEIH-UHFFFAOYSA-N 408.374 1.082 30 20 HCED N#CCCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc2c(c1)OCCO2 463502145 PMDPUYFHCATBPI-RGCFKVTRSA-N 411.414 0.867 30 20 HCED COC[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 474141717 KXYFKQJAJAMWJE-IBGZPJMESA-N 423.491 0.919 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)Nc3cccc(C#N)c3)cn2)C[C@@H](C)O1 475602957 MKGPHBQZJLDKPM-OKILXGFUSA-N 410.434 0.968 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 479903233 ZQNNDCBKYZLHHH-HNNXBMFYSA-N 406.508 0.514 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1Cc1ccon1 480928257 NUWBQNJSESEZJZ-UHFFFAOYSA-N 424.482 0.520 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccc(F)cc1 481159835 WFHAQPYIMCQXPW-CYBMUJFWSA-N 418.450 0.910 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 484680596 PNNKHUCCWGYRBC-UHFFFAOYSA-N 423.535 0.857 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 485530259 QDMWJYMTIGAXMW-IAGOWNOFSA-N 411.480 0.115 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2Cl)CC1 491051872 PLQBDMJPAYBXTQ-UHFFFAOYSA-N 422.869 0.512 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)c1 504863887 IDBOUWOXVNQICM-UHFFFAOYSA-N 408.414 0.952 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 508511500 UVKDDKHTKSIJSE-CQSZACIVSA-N 410.544 0.996 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(C(=O)OC)nc1 509265206 UHDWALOTKKFCRZ-UHFFFAOYSA-N 407.408 0.956 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O 520454106 SFBMOWSRTRYHOB-LSDHHAIUSA-N 420.416 0.432 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 521851959 SVAPAABEZAVPGT-UHFFFAOYSA-N 400.460 0.428 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(CCNC(=O)c2ccccc2F)CC1)C1CC1 523442949 YPMHHQJFYKPWFF-OAQYLSRUSA-N 401.486 0.982 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)C1=O 527015280 NEBWSQJNBSOENC-BETUJISGSA-N 401.423 0.611 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)cc1 527346752 IPKOMDHSPQLGTD-UHFFFAOYSA-N 412.446 0.729 30 20 HCED COc1ccccc1[C@@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 527393970 JPXAVEJKZMNWMF-MRXNPFEDSA-N 406.402 0.936 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)n1 546911123 QNPGYOQEMKMDQU-UHFFFAOYSA-N 419.445 0.770 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 553344199 OGIQSSBNJHZCGS-UNEWFSDZSA-N 409.508 0.869 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 570589246 NZTUOEJRLFKWKT-VIFPVBQESA-N 423.903 0.219 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2)nc1 571945197 IMUCEZKTAUDLGB-INIZCTEOSA-N 404.390 0.547 30 20 HCED COCC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 575782323 CGMCDOVFUNUAIX-IBGZPJMESA-N 422.507 0.588 30 20 HCED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)Oc1cccc(F)c1 578788829 LKYBXLVJTRCVIV-GFCCVEGCSA-N 402.430 0.977 30 20 HCED C=CCOC[C@@H]1NC(=O)N(c2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1=O 579144265 QYGGXZGBXRYYGA-KRWDZBQOSA-N 422.507 0.640 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(O)cc3)CC2)c1 603483887 FYXKVNYAHCESQO-UHFFFAOYSA-N 400.460 0.891 30 20 HCED Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1S(=O)(=O)NCC#N 609413209 BMXHFKPDQRSEAX-HNNXBMFYSA-N 422.532 0.934 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 610082917 RRNQEHPBAUVSBV-UHFFFAOYSA-N 424.479 0.856 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCO)cc2)cc1 611218479 COQBKHBUYZEGSV-UHFFFAOYSA-N 416.459 0.853 30 20 HCED COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)on1 611486422 DLGYWNFCBVRQNX-UHFFFAOYSA-N 404.404 0.480 30 20 HCED C=CCSCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611637569 CERDDQQFXDJDQY-JSGCOSHPSA-N 415.493 0.754 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 615254208 QCRJYGVTHRVSPR-UHFFFAOYSA-N 413.438 0.875 30 20 HCED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 619849392 XJBOPBIJQZYCLL-CZUORRHYSA-N 400.480 0.709 30 20 HCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NC(C)(C)C 729540173 TVRXLHNLWGETMW-NSHDSACASA-N 410.452 0.393 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 730683838 KPQKIGQMVDWVIM-UHFFFAOYSA-N 418.885 0.319 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1F 731587505 QHBHLGZJHOFBJU-UHFFFAOYSA-N 407.489 0.348 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NS(=O)(=O)CCC)cc2)CC1 733148959 RFAHEGJWGYWIBI-UHFFFAOYSA-N 420.535 0.736 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1 733150784 UVTJWKKEXLYMLM-UHFFFAOYSA-N 419.913 0.423 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)C[C@@H]2CCCO2)c1 734138712 KDBDAPSUUHUPSA-INIZCTEOSA-N 408.476 0.782 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 734294352 MBMOXBRPMVHWML-INIZCTEOSA-N 411.443 0.792 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 734916158 CTZIXLWEEWMUOJ-LLVKDONJSA-N 414.411 0.746 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCSCC1 744872839 NEXPUQIRBIECTO-LLVKDONJSA-N 402.519 0.780 30 20 HCED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746191196 QPBDPPKSYAWJNQ-XTPAXOCXSA-N 403.527 0.920 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1 747279384 WAYBTDWHDPYCMN-UHFFFAOYSA-N 416.507 0.022 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCCOC)c(F)c2)CC1 747993907 USSPBPYAUKMFKV-UHFFFAOYSA-N 405.426 0.777 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCSC)c2=O)cn1 751830616 GDMRTHACJMCNCW-UHFFFAOYSA-N 403.533 0.271 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C)c2)c1=O 751831963 KZLKTEFQTLDCDD-UHFFFAOYSA-N 403.533 0.132 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1nc(N2CCOCC2)n(C)c1=S 756876948 PPDIEURBXSKDIU-CQSZACIVSA-N 415.527 0.618 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758084060 OIONYSUWWCXIQU-UHFFFAOYSA-N 409.467 0.343 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 758760413 ORILZAJJRRUMNZ-NEPJUHHUSA-N 422.515 0.711 30 20 HCED CN1C(=O)CN(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 765153667 KGLOFVBISDLKSI-UYRXBGFRSA-N 408.440 0.430 30 20 HCED COc1ccc2c(c1)OC[C@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 767390588 RALLNIBUPWELPE-CYBMUJFWSA-N 401.444 0.854 30 20 HCED Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)n1Cc1ccco1 771897455 NDTSGDVBYQEAGB-UHFFFAOYSA-N 419.463 0.456 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O)c1cc[nH]n1 772268407 RSMLLHKNDANUID-NSHDSACASA-N 419.360 0.315 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCOC)c(Cl)c1)[C@@H]1CCCO1 773797728 OLVNLAIABGTARS-HOTGVXAUSA-N 407.854 0.952 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 777297428 RRHIONADNOQYAT-CQSZACIVSA-N 404.423 0.983 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 777909039 PAROIOGEIXXTLM-ZDUSSCGKSA-N 417.409 0.739 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)o1 780209482 JOEZXMZCGOIMNV-SFHVURJKSA-N 409.402 0.652 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nc12 782048412 LGAZQPSCHFLOCM-UHFFFAOYSA-N 412.387 0.088 30 20 HCED CC(C)(C=NNC(=S)NCCN1CCOCC1)N1C(=O)c2ccccc2C1=O 782127084 CANLFOXHDVPGKI-UHFFFAOYSA-N 403.508 0.843 30 20 HCED COc1c(O)nc(O)nc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789961260 ZIICFTNARZNREQ-MTJSOVHGSA-N 421.435 0.962 30 20 HCED C=CCn1c(C2CC2)nn(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1=S 798190845 OPTGUJDDSUSHFG-UHFFFAOYSA-N 420.539 0.438 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnn(CC(F)(F)F)n1 799500177 VLCYMURYJAAUCG-SECBINFHSA-N 418.357 0.517 30 20 HCED CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cn1C 804948618 AXCLKJKLHFTLJX-UHFFFAOYSA-N 405.436 0.428 30 20 HCED COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 807315478 IFUSQOSUZXNTPF-HNNXBMFYSA-N 401.345 0.998 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)cc1C#N 809501733 RBNQKAGHPIQXIC-UHFFFAOYSA-N 409.446 0.935 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2cccc(F)c2)cc1 810142702 QGQULUZGDGQAAK-OAHLLOKOSA-N 407.423 0.532 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)cc1C#N 815706114 QNQRWTAZUUGDQQ-NHAGDIPZSA-N 400.391 0.943 30 20 HCED COc1ccc(-c2nnc(S)n2N=Cc2cn(C)c(=O)n(C)c2=O)cc1OC 839397922 GXRGIUOFKNRJTK-UHFFFAOYSA-N 402.436 0.531 30 20 HCED O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=C1CCS(=O)(=O)C1 912773456 TVAFXZVZRLEMAF-UHFFFAOYSA-N 402.454 0.966 30 20 HCED C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 999256560 JYECHDAJGKKOKS-BBIYFSQSSA-N 401.467 0.377 30 20 HCED N#CCn1c(CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2ccccc2c1=O 1116324586 VKWCPHRKYDKWCA-OAHLLOKOSA-N 401.492 0.225 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1252397044 MGEJARRPOZJDPE-NIQMNWOISA-N 411.480 0.098 30 20 HCED CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1298104101 QLOIBFWEVFUNFL-UHFFFAOYSA-N 403.512 0.895 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1301966735 YBTKTAXLNFLJKV-SZNDQCEHSA-N 423.477 0.939 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1301968180 KNUABKLQQVRMNT-STQMWFEESA-N 403.530 0.211 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2Cc2ccco2)C1 1302479643 OCFANSLLSFAHBZ-INIZCTEOSA-N 420.495 0.992 30 20 HCED CS(=O)(=O)NCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1316360035 OXMXKNFGSNYGME-AWEZNQCLSA-N 410.887 0.876 30 20 HCED C=CCn1c(Cc2noc(C(C)(C)NS(C)(=O)=O)n2)nnc1N1CCOCC1 1320196033 ABONWKZTEDXYEP-UHFFFAOYSA-N 411.488 0.059 30 20 HCED CS(=O)(=O)c1ccc(OCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1322712612 RLUKTPBLZVHAQN-ZCXUNETKSA-N 407.448 0.502 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1538701178 MCHRDBAXUKRLFR-OLZOCXBDSA-N 403.254 0.628 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 1596496348 WTVNDVJQXJLAHV-SFHVURJKSA-N 412.471 0.926 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(C)(=O)=O)cn1 1626708838 BYLWKMXLOVCSLU-GFCCVEGCSA-N 401.452 0.889 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1692544375 NIPSNSQBYFIZTJ-KGLIPLIRSA-N 410.500 0.112 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)C1 1698486914 VSHUKEIWCFYPOL-FQEVSTJZSA-N 419.505 0.689 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCSC1 1706871144 NEDIMUNCKBWYNH-NILFDRSVSA-N 418.520 0.198 30 20 HCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1729246366 QEKJTQQIUAYPIB-GDLZYMKVSA-N 416.507 0.776 30 20 HCED CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1760630605 NBANPEZNUGPVKJ-INIZCTEOSA-N 424.465 0.531 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCn1ccnn1 1761481034 XWXNJASICLOACX-AWEZNQCLSA-N 421.531 0.700 30 20 HCED Cc1n[nH]cc1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1761609247 PQLYFVPIKNOXMD-HOTGVXAUSA-N 419.511 0.573 30 20 HCED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1768312512 ZUUKVCZZUAANGY-SANMLTNESA-N 407.521 0.820 30 20 HCED CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1771411110 KIGDXFPWVZQZFF-KGLIPLIRSA-N 406.512 0.870 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nc[nH]c3[N+](=O)[O-])C2)CC1 1778059332 OBDJQRFXIBKTDC-KZULUSFZSA-N 402.411 0.749 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891658 LMOGHYQVARYMGK-BLLLJJGKSA-N 408.373 0.513 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1778967286 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423.351 0.897 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)[C@H]1SC(=N)NC1=O 1843406541 HLFUCHHEOKUWGQ-QKTPRWHFSA-N 417.491 0.704 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1844160698 WXQGQDHFCGXZOH-KRWDZBQOSA-N 416.434 0.205 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844347873 IAXYXURTRBBODW-NXLSOHMPSA-N 404.471 0.647 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CN2CCOC2=O)C3)ccc1F 1845202051 CJPOJNUAOAODMQ-UHFFFAOYSA-N 400.410 0.895 30 20 HCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 302857396 PXMSZIUORQWGLX-RTBURBONSA-N 402.543 0.764 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)cn1 427790209 RUAZKLDNYWKFDD-UHFFFAOYSA-N 411.465 0.706 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCS(=O)(=O)C1 433666234 YMZNRNYJJHCHTA-GFCCVEGCSA-N 419.438 0.715 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N[C@@H]3CNC(=O)C3)c2)c1 440541517 WRUICFKVBXICDP-SFHVURJKSA-N 405.410 0.816 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)NC[C@@H]1CCS(=O)(=O)C1 443074079 SETDOCBVRGWGMW-MNOVXSKESA-N 419.912 0.429 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCn3c(O)nnc3C2)c(C#N)cn1CCOC 446346503 NSLYQGIMVZZKSI-UHFFFAOYSA-N 403.399 0.528 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC(C)C)c2=O)o1 471211824 HZYOWZBXGUIRSR-UHFFFAOYSA-N 403.504 0.987 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cnn(C)c3C#N)c2)CC1 474408858 MNPFXJTXCVWOMQ-UHFFFAOYSA-N 402.480 0.870 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 480287851 DEUIJQREYLYWSS-LBPRGKRZSA-N 422.488 0.189 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 480785309 HCKZYMBVACUMRE-ZDUSSCGKSA-N 416.525 0.013 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 480954776 HTOIYXSRWURECF-FZMZJTMJSA-N 400.482 0.657 30 20 HCED CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481250297 CFXYFHBNAPNHNF-GDBMZVCRSA-N 406.508 0.990 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 481568730 FIMCHLXQWDFNOC-HZPDHXFCSA-N 402.513 0.831 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487509116 DDIUYAIVITZMBP-IAGOWNOFSA-N 404.492 0.878 30 20 HCED Cc1ccc([C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H](C)S(C)(=O)=O)cc1 499664407 ZDYGOTRRZHCIEJ-NUEKZKHPSA-N 401.510 0.528 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 500713377 POQJHAOKLPPEJR-UHFFFAOYSA-N 403.439 0.843 30 20 HCED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)(=O)CC1 508467147 XHHNOQTXNWUOPI-UHFFFAOYSA-N 403.512 0.873 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 509725641 FYRPDNLTJWOBFF-MNOVXSKESA-N 419.912 0.429 30 20 HCED CN(C)CCCNS(=O)(=O)c1ccc(NCCn2cnc(C#N)n2)c([N+](=O)[O-])c1 517545088 IDSSEWNKBSJNTL-UHFFFAOYSA-N 422.471 0.400 30 20 HCED CN(C)C(=O)Cn1cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1 518642687 IKJRRERMHJJEBP-UHFFFAOYSA-N 421.465 0.368 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)cc1 521054321 UWRZUXIMMRYCAQ-UHFFFAOYSA-N 411.447 0.989 30 20 HCED COCCNC(=O)CN1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 522273478 VQWFUVCAPNENMK-HXUWFJFHSA-N 402.495 0.868 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccc3[N+](=O)[O-])c2=O)cn1 523573236 HKDJONPVZFSTHW-UHFFFAOYSA-N 424.442 0.273 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)n(CCC#N)n1 533002545 KWFKOBUKTQMMHN-KRWDZBQOSA-N 424.509 0.766 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)ccc1OCCO 536979413 KXMIFHYQCBTKLH-UHFFFAOYSA-N 401.423 0.970 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 540104352 UNDBGKYCUGWRLP-GBOPCIDUSA-N 415.406 0.074 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 543221816 IJXPPNMXBYAMHC-MRXNPFEDSA-N 417.510 0.522 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1=O 550171439 GDUXKIWEIIKBMO-OALUTQOASA-N 414.506 0.421 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)nn1 556520605 RRHLYLXQFKJYNO-UHFFFAOYSA-N 408.462 1.418 30 20 HCED C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 556597298 XEHCDDUZMWQHEV-UHFFFAOYSA-N 421.523 0.999 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCOc1ccc(F)cc1 557196519 TXSCENBWQQJATM-UHFFFAOYSA-N 402.430 0.979 30 20 HCED N#Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)nc1 561082869 BYPICGDXXNUDRX-MRXNPFEDSA-N 415.475 1.149 30 20 HCED CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)CC1 563919225 ORDHJHBTTVWGOG-UHFFFAOYSA-N 405.524 0.954 30 20 HCED C=CCN(CC1CCCCC1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 564190805 UVLVUFRGCPFQDB-UHFFFAOYSA-N 412.512 0.805 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H](C)S1(=O)=O 566710443 ZQDANAXFNAMHNZ-TXEJJXNPSA-N 419.438 0.856 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)n1 567537915 BCZAFHNPAKWCLQ-LJQANCHMSA-N 424.505 1.547 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)cc1 573489584 MOSOXSLTUKLLRR-UHFFFAOYSA-N 422.488 0.657 30 20 HCED COC(=O)CC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 581900080 GALCUPSTPJMOMM-CQSZACIVSA-N 423.491 0.701 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 582986063 DJWSRQIKDHXVCS-KRWDZBQOSA-N 422.493 0.121 30 20 HCED COc1ccc(S(=O)(=O)N[C@H](C(=O)NCCn2cnc(C#N)n2)C(C)C)cc1 586827961 JBRIJAVQYRRLIM-INIZCTEOSA-N 406.468 0.278 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 588375534 BXXUMDUSRIRKER-UHFFFAOYSA-N 407.421 0.844 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 606050575 AKNGQJRFPSSNKP-HNNXBMFYSA-N 423.495 0.473 30 20 HCED COCCCS(=O)(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 610897001 RWUCSWGMBBHVNB-KRWDZBQOSA-N 420.491 0.174 30 20 HCED COCC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 611429166 VURQZYGUZCQZFA-QGZVFWFLSA-N 419.551 0.684 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)no1 612947372 FHPKIVLORPLRPC-UHFFFAOYSA-N 405.436 0.886 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc3c2OCO3)c1=O 614555664 BCFLLGUTGBAZSI-UHFFFAOYSA-N 412.467 0.529 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)COc1ccc(F)cc1 731455582 LABOFDZKWGEUAG-CYBMUJFWSA-N 407.423 0.420 30 20 HCED COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155474 BWMMTVZIUYZMLJ-BMRADRMJSA-N 417.813 0.581 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910626 RKFOTSYSCHPAIZ-HNNXBMFYSA-N 419.459 0.692 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)N(CC)CC)CC2)CC1 733150140 CFEDZIJWHWDIBW-UHFFFAOYSA-N 405.543 0.444 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)ccc1F 736268725 BODNFUMQGVJTIK-NWDGAFQWSA-N 404.485 0.938 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2scnc2C)c1=O 743727681 CLXIMVNIDQULBB-UHFFFAOYSA-N 404.517 0.447 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1 755326057 JEGBKMZYHSKODD-UHFFFAOYSA-N 424.423 0.719 30 20 HCED CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 757592707 JYGPBRVDXCXKIC-QWHCGFSZSA-N 407.471 0.972 30 20 HCED Cc1ccn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(=O)c1C#N 758180329 BNKJMTWLNABDBG-UHFFFAOYSA-N 417.447 0.901 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758364482 YVMZAKBUCLEIRQ-KBPBESRZSA-N 417.532 0.716 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c1 759464156 AVJYOVWLDUVDFQ-UHFFFAOYSA-N 413.521 0.094 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760375500 IUSZCVVMMZUANI-UHFFFAOYSA-N 418.906 0.648 30 20 HCED C#CCCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 762292725 BHQVIZGVEOBEIF-UHFFFAOYSA-N 420.535 0.287 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2c2ccccc2Br)CC1 767730916 DIYCAOIOYBTXPR-GOSISDBHSA-N 419.323 0.699 30 20 HCED C#CCCOc1ccc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 768780749 ADBSXDAPTOEWQI-UHFFFAOYSA-N 406.552 0.699 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCN(C)OC)nnc12 773168344 HWJDEWVYTIGYJH-UHFFFAOYSA-N 402.480 0.932 30 20 HCED COCCn1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(C)n1 782411874 NEQDUWUPYOTOCG-UHFFFAOYSA-N 416.438 0.512 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 782909235 UXLAIZFLDOKDFR-RDJZCZTQSA-N 421.475 0.722 30 20 HCED COC(=O)c1cc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)ccn1 786242645 AFWLXEOHJNLOKX-UHFFFAOYSA-N 413.390 0.542 30 20 HCED CS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787057292 DPXXQYNCHKCGLD-HNNXBMFYSA-N 408.436 0.591 30 20 HCED CC(C)(C#N)c1ccc(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 796038463 FSAZFZXXNOBHEZ-AWEZNQCLSA-N 407.448 0.657 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCCO[C@@H](C)C#N)cc2)CC1 801812474 GDBAPHRSYBTGSD-AWEZNQCLSA-N 409.464 0.625 30 20 HCED COc1c(C)cnc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 803669874 DRJSLYOBQCWLHS-UHFFFAOYSA-N 408.462 0.939 30 20 HCED CCOC(=O)C(=O)c1cc(S(=O)(=O)NCCNc2ncccc2C#N)cn1C 804967678 CNLDFNRUOLMNGC-UHFFFAOYSA-N 405.436 0.428 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 810778880 QAVQYDWZVRZBFT-LBPRGKRZSA-N 410.448 0.535 30 20 HCED CN(C)S(=O)(=O)c1ccc(I)c(C(=O)NCC#CCO)c1 816536814 KPEDNJFRTAXVEP-UHFFFAOYSA-N 422.244 0.267 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)c1 875842310 GTEOSOMNZWANHD-UHFFFAOYSA-N 413.521 0.142 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCOC2)c1 918465635 QGYMQWAACLZFRX-KTNMXJNISA-N 422.507 0.981 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(O)c3cnn(C)c3n2)c1 920509546 OETMAWJGARUOTK-UHFFFAOYSA-N 403.420 0.890 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)ccc1=O 998991108 NYSXBDHJEXUTLO-WDHIOAMHSA-N 400.479 0.781 30 20 HCED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)N(C)C 1293097376 IYBGAEAFTKXIAL-UHFFFAOYSA-N 418.527 0.325 30 20 HCED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(N)=O)c2)CCO1 1303010658 ZMTIAEMWXIPLLK-KRWDZBQOSA-N 423.477 0.471 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2ncn(C)n2)C1=O 1320481013 YJRIYQDWBWYOGU-LBPRGKRZSA-N 401.452 0.182 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C2CCOCC2)CC1 1453152538 YBGVDAUYPLPZAA-OAHLLOKOSA-N 420.535 0.985 30 20 HCED N#Cc1ccsc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1467002434 YOHJNLVLYLNZSY-LBPRGKRZSA-N 418.522 0.286 30 20 HCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1COCCO1 1503105387 ZXEVOIHYEMXWDA-QGZVFWFLSA-N 413.482 0.823 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1503834055 YHXNOUFBNUJAEC-CQSZACIVSA-N 410.887 0.876 30 20 HCED CS(=O)(=O)CC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1505128048 UEBQXKGVLKATMX-PXAZEXFGSA-N 410.475 0.496 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1555993453 OLLVALRJICXWBG-ZWKOTPCHSA-N 410.478 0.870 30 20 HCED CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCOC1 1616909053 BHRVWTBJWPJDEW-FQEVSTJZSA-N 413.482 0.559 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1616925218 WKOPVFSGIKQCEN-NVXWUHKLSA-N 422.555 0.816 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 1627652896 WDGCPVKQGDHNGR-RHSMWYFYSA-N 407.492 0.552 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 1661176891 QMQFAIVVIUOZGD-NSHDSACASA-N 408.299 0.762 30 20 HCED Cn1cc([C@@H]2[C@@H](CNC(=O)NCCn3cnc(C#N)n3)CC(=O)N2C(C)(C)C)cn1 1686406131 PHYQIGILOODAPI-DYVFJYSZSA-N 413.486 0.571 30 20 HCED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1730276708 NCQBUGRNADIDFM-CQSZACIVSA-N 422.449 0.836 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C 1751177534 YOHYXKVHJDQONY-ZDUSSCGKSA-N 414.495 0.863 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCn1ccnn1 1751214005 OJXARJQUGGMZNW-AWEZNQCLSA-N 421.531 0.700 30 20 HCED CCCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1765736376 PSDDGVPYYDWZON-GJZGRUSLSA-N 413.548 0.349 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1767600061 WRSAFUDNWNKEFT-CQSZACIVSA-N 423.481 0.724 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931827 KPZUNOHRJIANRL-YWZLYKJASA-N 414.466 0.974 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)[C@H](O)C=C)C2)C1 1778965930 XGVCYIFINQFSNQ-SAJDBWTASA-N 405.495 0.248 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065485 TZCBSOMPVHYUJG-HTAPYJJXSA-N 417.506 0.206 30 20 HCED NC(=O)c1ccccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139572 UEMJHJLIKPPOPB-XUHCNCODSA-N 424.457 0.941 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181094 FLZKENBCCDGYGH-QYWGDWMGSA-N 415.494 0.637 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)ccn2C)C1 1780056615 KNICVAWLKJTVJJ-ZWDAVXSWSA-N 415.490 0.551 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1781969044 RAQZSCGAWFFYQI-IBGZPJMESA-N 421.450 0.959 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782676154 BIZYHCUIWPWQEJ-LIRRHRJNSA-N 421.454 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C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C)C(C)C)CCO2 1840564312 RXVMJQZUGVHLHS-NRFANRHFSA-N 411.543 0.766 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)C13CC(C(=O)OC)(C1)C3)C2 1841055404 AZSRBHZBHLDUCD-WAYWQWQTSA-N 401.463 0.392 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CC4(CCCN4C(=O)CC#N)C3)[C@H]2C1 1842623536 OCLSEHKIPBPXTE-OWCLPIDISA-N 418.494 0.985 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1844235572 MKEZMTMBISQPQV-INIZCTEOSA-N 400.479 0.588 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1844238522 GCLQBCSMRWITQM-ZIAGYGMSSA-N 411.499 0.606 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1)C2 1844286820 JPEFKUMCIXGXFM-GOSISDBHSA-N 413.430 0.870 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)N1CCN(C)CC1 1845098868 MTKLCCDUZWFRJU-LJQANCHMSA-N 416.566 0.524 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846155727 DYFCSTNTPVWHGC-HALDLXJZSA-N 417.462 0.391 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c(Cl)c1 1848129994 JHKFUGNZMSHHNB-ILXRZTDVSA-N 415.837 0.625 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnnn1C 1848279965 IQPIHZPMCWYCTD-ILXRZTDVSA-N 416.482 0.547 30 20 HCED CCN(C(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 29246398 MKCUAQOTXXVCJI-HNNXBMFYSA-N 421.523 0.581 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 52728008 XHLAOQBSDPELQB-UHFFFAOYSA-N 416.459 0.505 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)c1 97288524 DOTRDBHZONHCSL-LJQANCHMSA-N 406.552 0.600 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 409544401 RKFRPSWYWZABTN-UHFFFAOYSA-N 422.479 0.751 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)n2)c1 409708973 CUDRLCPZULOCGQ-KRWDZBQOSA-N 408.462 0.407 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1=O 410104752 KNGQEMBBTWRUOR-OAHLLOKOSA-N 412.537 0.611 30 20 HCED COc1ncc(-c2noc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)n2)c(N)n1 426614657 FIVMCSQEYJEAHT-UHFFFAOYSA-N 401.408 0.810 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 430415555 OTOKGZPARYVGPI-BJLQDIEVSA-N 420.554 0.629 30 20 HCED C=CCOC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)OC 435945809 WDVRZCKBKHWXMT-GFCCVEGCSA-N 418.493 0.243 30 20 HCED CN(CCO)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 439994193 ICFFLDKYWVDDRA-UHFFFAOYSA-N 414.441 0.737 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCOC1 441923606 OOKRZTBRETVDJQ-KGLIPLIRSA-N 400.504 0.798 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)ccc1OC(F)(F)F 443142588 AASZONJVZABTGN-UHFFFAOYSA-N 414.340 0.760 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 443765032 POQZWMMLYGYNDO-UHFFFAOYSA-N 402.432 0.954 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCOC)Cc1ccnn1C 460947576 GXCWJXCYJPNHGK-AWEZNQCLSA-N 411.532 0.851 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1 465484885 WOHNNQTZEHHVEG-HOCLYGCPSA-N 415.537 0.599 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)CC2)c1C#N 472158515 NNCQHIZWONRLCM-UHFFFAOYSA-N 421.461 0.587 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C(=O)O 472349997 POMXKWCDWUWHQJ-UHFFFAOYSA-N 406.468 0.631 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cc1C#N 478847079 YJVHFSCNXVBJLM-AWEZNQCLSA-N 409.467 0.826 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 486135654 IZXNVFSSXTVDMW-HNNXBMFYSA-N 424.523 0.792 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)NC1CCC(Oc2ncccc2C#N)CC1 487375326 JPXCALWMLZTYHI-UHFFFAOYSA-N 417.491 0.988 30 20 HCED Cn1nc2c(c1NC(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 488604021 DJRSCDMBTKMIDL-QGZVFWFLSA-N 406.446 0.636 30 20 HCED C[C@H](CS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 499221188 DDWHLJUSDJUSNQ-CYBMUJFWSA-N 413.521 0.508 30 20 HCED C=CCN1CC[C@H](N2CCN([C@H]3CCN(CC=C)C3=O)[C@H](c3cnn(C)c3)C2)C1=O 499616493 BBNCLCDCEIHYNL-UFYCRDLUSA-N 412.538 0.653 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Cc2noc(C)c2C#N)CC1 499618114 MYQUZLFOEXBDNT-UHFFFAOYSA-N 407.452 0.925 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CCCN1C(=O)NC(C)(C)C1=O 506894307 WBENSZIBHJOYKH-UHFFFAOYSA-N 419.467 0.415 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-n2nnnc2O)cc1 507870906 CEEQFJJGSPGFCK-NSHDSACASA-N 413.419 0.545 30 20 HCED COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 508068777 ORCUQYBJTGJPDU-MRXNPFEDSA-N 417.509 0.305 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508793651 IRGVBLVELULFIL-UHFFFAOYSA-N 410.486 0.606 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 508994245 HRWYFKSWDXJXEU-UHFFFAOYSA-N 411.393 0.450 30 20 HCED CCN(CCCNC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513983763 TYKAGFHELJKGDC-LIRRHRJNSA-N 419.507 0.713 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCOCC 523463104 LPGLEMCXKYTIDF-UHFFFAOYSA-N 403.508 0.099 30 20 HCED COC(=O)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCOCC1 525217677 AOUUXYBNUJHGQY-UHFFFAOYSA-N 409.464 0.673 30 20 HCED COC(=O)Cn1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C 527259595 CBFPZQOOWCICDT-NSHDSACASA-N 405.436 0.542 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 533222900 LECYHJRABCIDHN-LVIWNVNYSA-N 419.570 0.782 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 537067199 CGVMEPFPSCFNHL-HNNXBMFYSA-N 418.494 0.322 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CC1 541582028 JEZUWELDPXLPOG-HUUCEWRRSA-N 411.553 0.210 30 20 HCED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542998693 RZPSKNFDKPBVSO-YPMHNXCESA-N 403.826 0.944 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@H](C)S(C)(=O)=O)c(C#N)cn1CCOC 548502216 DIRACDNSAZWPKR-NSHDSACASA-N 400.457 0.737 30 20 HCED COCCCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3cccc(F)c3C#N)[nH]2)[nH]1 549758902 XHJGQNHSBUDSNH-UHFFFAOYSA-N 411.397 0.537 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 550595520 HQKPPKWKLHMIQY-UHFFFAOYSA-N 401.374 1.112 30 20 HCED Cc1cc(C#N)cnc1C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 555967828 YTCUCCDVAJEJGB-KRWDZBQOSA-N 406.508 0.613 30 20 HCED C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)S1(=O)=O 558609593 HTKQMCCIWMJNCZ-CPUCHLNUSA-N 404.492 0.876 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 559017147 MUXFNYGNPMOXJV-UHFFFAOYSA-N 410.452 0.027 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CC1 559483200 QURASQZSHYDOIB-QGZVFWFLSA-N 401.467 0.304 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2)c1C#N 570387559 ZYBRRSOSFMVTNR-CYBMUJFWSA-N 408.509 0.992 30 20 HCED N#CC1(CNC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 583240067 MVIONLUUNCFEPF-ZDUSSCGKSA-N 412.493 0.577 30 20 HCED CN1CCC[C@@H]2CN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC[C@H]21 584845767 PFYCPNNYLZXYSJ-HSALFYBXSA-N 423.517 0.718 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CN(C)CCO1 589138327 AHQWZMGOKDIIBO-KDOFPFPSSA-N 403.458 0.181 30 20 HCED CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589429289 LOEVKFYHOQLSJZ-UHFFFAOYSA-N 421.500 0.899 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(-c3nc(CC)no3)cc2)C1=O 589934390 HUKKCEBBDOLPGH-UHFFFAOYSA-N 411.418 0.935 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccncc3)c2=O)cn1 608884371 GXZPYHLXUQHPGY-UHFFFAOYSA-N 421.482 0.725 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 609346714 OYIMAACLRZGCHW-UHFFFAOYSA-N 409.450 0.137 30 20 HCED COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccn1 610255943 RSSFZJCZURQBFI-MRXNPFEDSA-N 402.432 0.918 30 20 HCED Cn1cc(CNCCN2CCN(S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 611497809 SGTROWIQIXYNSA-UHFFFAOYSA-N 402.524 0.626 30 20 HCED N#C[C@]1(F)CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 615591884 JZRSXTKOBCZUAV-HNAYVOBHSA-N 403.462 0.929 30 20 HCED CCS(=O)(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725772063 NSMGKVASRCGAHR-SFHVURJKSA-N 405.480 0.250 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1=O 726042455 CEPQINFSPOBTGM-NSHDSACASA-N 407.810 0.865 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)NCCS(=O)(=O)N2CCOCC2)c1 728126101 PXXBDGNCAJZJSX-UHFFFAOYSA-N 404.395 0.943 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nncn1C 729280385 CLBKRZZJRWRGTG-AWEZNQCLSA-N 404.496 0.771 30 20 HCED N#C[C@@H](C(=O)COc1ccc(Br)cc1)C(=O)N1CCS(=O)(=O)CC1 732907687 CAGMPFFGEZJCCS-ZDUSSCGKSA-N 415.265 0.794 30 20 HCED CC(=O)NC[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 742494127 MXVWYPMOOXMMDD-OAHLLOKOSA-N 406.508 0.880 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968965 RFKBXTVOBVVACG-RBUKOAKNSA-N 410.438 0.484 30 20 HCED C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ncccn2)CC1 761227022 JNGNWGRIHQCRRU-OAHLLOKOSA-N 408.414 0.837 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)s2)c1=O 763302201 TXCIJBKRRRQXEV-UHFFFAOYSA-N 421.544 0.902 30 20 HCED C[C@@H]1CO[C@H](CO)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 764707302 HDJBSHCFZOWWEQ-CABCVRRESA-N 409.508 0.894 30 20 HCED C=C(C)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 777661512 ONVQYFKRZBXGIN-UHFFFAOYSA-N 405.498 0.666 30 20 HCED COCCCS(=O)(=O)NCC(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 778823121 AFHNIBMIUOOEMC-MRXNPFEDSA-N 409.464 0.553 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1-n1nccc1C)[C@@H]1CCS(=O)(=O)C1 783481251 OYPKSFVRSKYKIS-OAHLLOKOSA-N 400.460 0.768 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)NC(=O)C4)CC2)o1 785790885 DPIBZZWVZXJYEO-UHFFFAOYSA-N 409.402 0.855 30 20 HCED C=CCNC(=O)CNC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786186419 RCBSZIHGBLBBBV-UHFFFAOYSA-N 419.486 0.957 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3occc3c2)c1=O 795196718 BAZRBYINLYAQRA-UHFFFAOYSA-N 419.462 0.651 30 20 HCED CS(=O)(=O)CCS(=O)(=O)Oc1cc(C#N)ccc1I 798464088 ZDADOMCHTHNNEY-UHFFFAOYSA-N 415.230 0.916 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1)C(C)C 799273446 WESBLYWZYDDQIF-SFHVURJKSA-N 420.535 0.725 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c(F)c1 802576256 KZKSFMOIEVQFCV-CYBMUJFWSA-N 411.430 0.911 30 20 HCED C#CCN(C)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 802579012 BHZFFMWSHCUEOX-UHFFFAOYSA-N 409.464 0.136 30 20 HCED Cc1nc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Br)n1C 804994160 ZSBNMYHGTDJKQO-ZRDIBKRKSA-N 418.273 0.296 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)nc1 806088096 MFWBOBCMZISYHK-IAGOWNOFSA-N 400.483 0.241 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)n1 806177930 MVDNZQWZVZTRCQ-DLBZAZTESA-N 417.510 0.255 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 807349484 HWGNHAAHSWHYRW-RHSMWYFYSA-N 407.492 0.861 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 807371859 SFMOCSVLXBFXLZ-ALOPSCKCSA-N 412.490 0.837 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)OCCOC2(C#N)CCOCC2)cc1 809082739 MRVFRLHJZDSMSD-UHFFFAOYSA-N 412.464 0.857 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncc(C(=O)OCC)s2)CC1)[C@H]1CCCO1 809309811 RKJUHCIULXPMLW-UONOGXRCSA-N 420.491 0.265 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@H]1CCCO1 809314068 XWZXTYMXUAYTOM-AZUAARDMSA-N 424.501 0.017 30 20 HCED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811414337 FCJWYUBPOFLPLN-KRWDZBQOSA-N 416.459 0.522 30 20 HCED CN(C)S(=O)(=O)c1ccc(NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1 812231462 RKDXSQYLHIRTAY-UHFFFAOYSA-N 405.440 0.069 30 20 HCED CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 815807013 BDVYMUHZFBXPDW-OAHLLOKOSA-N 414.397 0.746 30 20 HCED CNS(=O)(=O)Nc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 819606568 PPAORENXUOAIMU-UHFFFAOYSA-N 423.476 0.240 30 20 HCED C#CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@@H]1CCc2ccccc21 917117992 YMVPNPXWFYIYON-TZIWHRDSSA-N 415.559 0.940 30 20 HCED N#Cc1cn(CCC(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)c(=O)nc1O 1295191006 UTHLABCIQZMXFS-UHFFFAOYSA-N 422.445 0.477 30 20 HCED CN(C)C1(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1298044839 QWQHMMAUNAMIGI-INIZCTEOSA-N 400.487 0.518 30 20 HCED COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1=O 1301869837 ZZYMDYJCCRIDMY-KFWWJZLASA-N 403.487 0.462 30 20 HCED COc1cc(C#N)ccc1OCc1nc(CC(=O)N2CCS(=O)(=O)CC2)no1 1320853298 RSDLECUHRISYFS-UHFFFAOYSA-N 406.420 0.328 30 20 HCED CCN(CCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1515712196 MKMZSGIKMZHNKM-AWEZNQCLSA-N 408.532 0.946 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CC2)n1 1543066794 JBRVPRFXIPXHKW-WQIZZMQYSA-N 403.512 0.780 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CC[C@](O)(CC#N)C1 1659155144 IXPYDSPTNWWMQZ-FZKQIMNGSA-N 410.496 0.623 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 1670165897 NFWCBUDAAUTSBY-UHFFFAOYSA-N 411.285 0.945 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705752978 MQZSADUFQINSJM-CQSZACIVSA-N 407.906 0.382 30 20 HCED 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N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(C(=O)O)ncn2)CCO3)c1 1780596173 RNRMCRCGCDFDQW-OAQYLSRUSA-N 421.413 0.804 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1780993263 QDWNPZVXNDULRL-SXQBJFQMSA-N 404.511 0.017 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042409 YEDMGDDSVHCWAM-BBTUJRGHSA-N 417.893 0.244 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1 1781396807 SNGVFYHOMBEXQY-AUUYWEPGSA-N 405.455 0.730 30 20 HCED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781398723 XCKIVBRUMOXIRT-KBXCAEBGSA-N 413.544 0.101 30 20 HCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1781690815 KQORLNIOHVNQNN-WZONZLPQSA-N 423.469 0.820 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1781792783 ZLQMQUSYMYVXLH-NRFANRHFSA-N 408.462 0.878 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c3nccc-3c1)C2 1782009981 BGMKJQPNQRQOPT-IIBYNOLFSA-N 410.430 0.730 30 20 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NICWQTFPVXOEAB-MRXNPFEDSA-N 424.526 0.993 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C(=O)OC(C)(C)C 805061796 VKRVFNJSMWKNDN-GDBMZVCRSA-N 407.515 0.995 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCO1 807249880 KTVJBPYZBOUZDH-MRXNPFEDSA-N 412.471 0.876 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810379874 OANQLNNYXOVTNH-CQSZACIVSA-N 408.480 0.962 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 810394085 WXBXCQUAIDDWMQ-UHFFFAOYSA-N 413.397 0.814 30 20 HCED COc1cccc([C@@]2(C)NC(=O)N(NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c1 813706621 OXBXNBRLBBIKTI-GOSISDBHSA-N 415.431 0.931 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)CC2)cc1 815887144 VJTURADZKUJUJR-OSGFXRFRSA-N 422.507 0.811 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 820723845 IXLZTPCDRFWMJI-UHFFFAOYSA-N 411.914 0.644 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cccc(CS(N)(=O)=O)c3)NC[C@H]2C1 849087257 RWTMTHMATVZRFK-INIZCTEOSA-N 423.539 0.856 30 20 HCED C=CCNC(=O)[C@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916916700 ABRISKGVIRILHU-QGZVFWFLSA-N 405.476 0.651 30 20 HCED CCO[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CNc1cncc(C#N)n1 1048012838 RTBMOBPIUGLARJ-FYOCZVBXSA-N 401.467 0.675 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 1117110260 GWEIUHIRQMNXOK-UHFFFAOYSA-N 414.505 0.884 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1301045630 VIHULVITXGJDSI-KGLIPLIRSA-N 419.935 0.979 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)CC2)cc1 1528688843 RTQXOCCCNOQUHT-JKSUJKDBSA-N 404.492 0.729 30 20 HCED C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1541989500 NCLDZKDZWOPPBX-QZTJIDSGSA-N 404.496 0.953 30 20 HCED COCCn1cc(N2C[C@@H](C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2=O)cn1 1542769076 YDGZOJSQXUPJHI-WMZOPIPTSA-N 402.499 0.575 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1555557363 RGHLGNYPKILECA-MRXNPFEDSA-N 417.514 0.998 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC2)o1 1632858064 MFLHQWNQWRMHRI-UHFFFAOYSA-N 423.539 0.696 30 20 HCED CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1633794507 SSVQBTLQGGWXSW-LJQANCHMSA-N 405.455 0.974 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)CCO1 1663847761 JBUSKQVYLUOFLC-CVEARBPZSA-N 400.501 0.933 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696478934 XQNPHJIKLQMTEX-MRXNPFEDSA-N 417.539 0.895 30 20 HCED COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCOCC1 1698060875 LJYIDESYRXJRLP-UHFFFAOYSA-N 413.482 0.874 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1705747691 RZAITDXDNKDLDU-NSHDSACASA-N 404.924 0.603 30 20 HCED Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(C)(=O)=O 1729588307 HCWNDPWEPOLOHF-OAHLLOKOSA-N 403.512 0.505 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1747540764 IYKAGUKHLFNCSU-OAHLLOKOSA-N 402.480 0.528 30 20 HCED CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764300294 FGDJSHVLHMVIJJ-CVEARBPZSA-N 401.515 0.957 30 20 HCED CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1)[C@H]1CCS(=O)(=O)C1 1768541022 ZEKQEDSWEUKASS-HNNXBMFYSA-N 412.479 0.617 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c(C)n2n1 1777785465 ZKXRFUCCIVDLOL-ACJLOTCBSA-N 404.496 0.503 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778740450 WAEPCMHBNFQNSG-IIBYNOLFSA-N 413.478 0.746 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779398607 UCAJUCWQLXCEHA-DYESRHJHSA-N 416.474 0.287 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2)c1cnc(O)[nH]1 1779780554 XZLVCVDCSTZFEM-ZXEFNUMUSA-N 415.450 0.955 30 20 HCED COc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)c1 1780086265 LSEANUACMZQEEE-OXQOHEQNSA-N 403.435 0.005 30 20 HCED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)/C=N/N2CCCCC2)C3)CN1 1781777232 DCKYUDVVGAACKD-ONXXKREJSA-N 419.526 0.108 30 20 HCED CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1781789594 PJSNTKSVKTXJFT-DOHHPOSVSA-N 410.515 0.826 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(O)nn4)C[C@@H]32)cc1 1783602850 CXRNQUNBVJOULU-LNLFQRSKSA-N 421.457 0.890 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1784504053 BAUROUCGWFEPKN-QUSNUVHPSA-N 414.524 0.134 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H]2C1 1785221128 VLZHKVLDXNJAIM-LEUOFYLZSA-N 404.511 0.895 30 20 HCED C[C@@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788721301 KQVWHGQNIDARKT-VMXMFDLUSA-N 421.501 0.946 30 20 HCED CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789955730 UVKLDSOHSKZRPI-PTBAPLNKSA-N 415.556 0.926 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)cc1 1790855157 HLVRKNUCYDVMTD-RDGPPVDQSA-N 410.474 0.217 30 20 HCED 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O=C(Cc1ccncc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1799110194 GVIJLAMCBMNRPK-QIUKAFMCSA-N 416.478 0.743 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCC(=O)N2C1 1799150950 BUAXJFGGSYMZCS-NJHADGRTSA-N 417.506 0.015 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nc1)C2 1799302671 JIKUMSTZQBNQSU-HGKCTWBKSA-N 417.462 0.803 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1799395713 HLJKSOPRAMVTAL-XPCVCDNBSA-N 410.500 0.287 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)nc1O)C2)C(F)(F)F 1800550436 OAHGVPZVHSYLFA-DOFRTFSJSA-N 402.329 0.210 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cc(Cl)ccc3n1)C2 1800778128 CGKGATXENYHNAD-KSPBDQMDSA-N 416.821 0.279 30 20 HCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COCCN1C(=O)OC(C)(C)C)C2 1800998004 KRXPQGMFOBGBRI-DFGXFYAUSA-N 423.510 0.788 30 20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])c3c1OCO3)C2 1802022091 GLTGPCYBAOIWJM-FVCICTRLSA-N 415.402 0.940 30 20 HCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803458407 RPUXISFSWQFWMX-VGSWGCGISA-N 406.442 0.426 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CN(CCO)CCO)CC2)C1 1806029159 GAUWPRAOLRRRSV-GOSISDBHSA-N 411.543 0.095 30 20 HCED O=C(O)C#CC(=O)N1CCC2(CCCN(C(=O)CNC(=O)c3cccnc3)C2)CC1 1806872448 GAXILSHMLSMDPW-UHFFFAOYSA-N 412.446 0.131 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807191476 CQTKLHDYEKGGNC-BFYDXBDKSA-N 423.464 0.892 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1810283501 CJGSBNHVUVISBQ-OXLQYAEFSA-N 424.509 0.851 30 20 HCED Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810410881 SAVLOMBPILFZBH-HRAATJIYSA-N 409.446 0.758 30 20 HCED COc1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc1 1812878619 ZWXIEMLHWFHWJO-FOIQADDNSA-N 408.414 0.893 30 20 HCED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819443227 QJMSSPWTCCFNLW-DNVCBOLYSA-N 423.539 0.972 30 20 HCED Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](C)S)[nH]n2)c(=O)nc1O 1823369625 BJPOEFGHXKMANZ-WCQYABFASA-N 420.495 0.991 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)n3cncn3)sc2C1 1826781870 JDTNZRFJXDBISX-UPJWGTAASA-N 402.480 0.946 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)S)CC1 1828763118 KOUCTSWUZVLVTA-NWANDNLSSA-N 401.529 0.989 30 20 HCED NC(=O)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828978529 ACVFBLNNTPKGAY-DYOCJSEISA-N 423.514 0.803 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)C1(O)CCC1)CCO2 1829732435 TURHHJYHWOZVPI-QKLQHJQFSA-N 408.495 0.032 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1830057395 DIYUADJTTPAUGH-HXUWFJFHSA-N 417.466 0.285 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@H](N)C(N)=O)CC1 1830415053 JRZPYCHUFBBHAX-NJAFHUGGSA-N 423.558 1.000 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3C)C2)C1 1831396878 SDFSCFUJNOOMLF-PGRDOPGGSA-N 417.506 0.750 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1831432638 CACXHLIGAGHEPR-OXQOHEQNSA-N 424.494 0.377 30 20 HCED CNC(=S)NCCC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670961 HVFOTOYOZCQKSV-OAHLLOKOSA-N 408.524 0.178 30 20 HCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)no1 1832788279 XJASOYGNQLNNSY-IBGZPJMESA-N 405.455 0.496 30 20 HCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1833661554 JGFJMNSPVIXVEC-FQEVSTJZSA-N 401.467 0.521 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833666199 SVKZIRLUBTXWKM-IFXJQAMLSA-N 408.524 0.536 30 20 HCED Cn1c(C(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)cccc1=O 1834083153 ILONCGIVAFCEDX-UHFFFAOYSA-N 410.518 0.984 30 20 HCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)[C@@H]1C=CCN1 1835050935 FIRASZIOBWDJOE-VRMLFSPKSA-N 413.522 0.798 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1835097055 QJQHLAKDBKMLIX-QFIPXVFZSA-N 422.441 0.304 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(F)cc4)C3)C2)CC1 1835342514 FKXGYQKEDZBTJN-OAQYLSRUSA-N 417.437 0.965 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836868479 WWALWVFUPFASDI-AWEZNQCLSA-N 406.483 0.452 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838204691 YMSLIQIPCACZAO-MGPUTAFESA-N 407.467 0.626 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1839228986 VOXYZUDICORDHH-HLIPFELVSA-N 421.498 0.701 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1839808041 SMMHAZRJXNPOKC-LAUBAEHRSA-N 421.494 0.379 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])ccc3N(C)C)C2)C1 1839809579 ZIQDDTJWRJCTQB-FQEVSTJZSA-N 416.434 0.364 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1839847054 QURIXTDINYCCAW-YRISNDGFSA-N 409.527 0.960 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840166742 ZPMYXUFPBIOLQK-NRFANRHFSA-N 408.495 0.978 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840210473 KWKNUFSADVKBAS-XOBRGWDASA-N 405.426 0.802 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1840293669 OPEWSLCUUIXGEX-LAUBAEHRSA-N 422.526 0.344 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)nc4)C3)C2)CCC1 1840814434 JAGGTPHLIRSEAG-HXUWFJFHSA-N 400.435 0.551 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1840842320 BCRQDMUFSRZHLC-UZLBHIALSA-N 401.467 0.147 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)Cc3ccc(C#N)cc3)C2)CC1 1841099620 MPDKVXIAYMQEQU-UHFFFAOYSA-N 423.517 0.468 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1844239984 LNXQQFPYAMNZAV-AWEZNQCLSA-N 404.467 0.034 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1847000766 UPSBOTCGBIXVHW-AWEZNQCLSA-N 406.483 0.372 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCN2C(=O)C=CC2=O)cc1 1847950195 VSKPKHRTTRSDGH-ROUUACIJSA-N 406.442 0.883 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccccc2Br)CCO1 409512228 SIYIMQKIBIMUTG-NEPJUHHUSA-N 420.285 0.248 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 409541718 XJCBRSDWARIRJG-QGZVFWFLSA-N 407.540 0.647 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 427514360 NSJZQNGNXHFZNU-SNVBAGLBSA-N 414.388 0.975 30 20 HCED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 428385702 GJXJSHJBWIJAEY-UHFFFAOYSA-N 414.431 0.688 30 20 HCED CN(C)C(=O)C[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)c2ccc(Cl)cc21 441853482 HHAVUABNKDTRBM-JSGCOSHPSA-N 404.854 0.999 30 20 HCED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1 442257234 IIRDPOBITOKBFM-UHFFFAOYSA-N 416.459 0.942 30 20 HCED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 443360915 WXSGAXZXQPQCPZ-AWEZNQCLSA-N 418.313 0.634 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 444314462 PIXQZLZYHCJMMH-BBRMVZONSA-N 413.521 0.651 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)NCc1ccco1 460592478 NTNYEJBZYVZHTQ-GFCCVEGCSA-N 407.390 0.492 30 20 HCED N#Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 464738105 OCQFSAHEMRATKP-KRWDZBQOSA-N 406.464 0.434 30 20 HCED CC(C)[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)N1CCN(C)CC1 465224002 WTRQWLOLJWQWQQ-PKOBYXMFSA-N 414.558 0.840 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 465422112 IXVPITMMFJOMFP-AWEZNQCLSA-N 405.462 0.969 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)c1C#N 472333025 AAERJDICIKWQFM-UHFFFAOYSA-N 421.458 0.741 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 472343704 VDBAMDRZRHDGBY-UHFFFAOYSA-N 420.451 0.871 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2C(C)C)c1=O 478737059 UKIMRKIMTANYIY-AWEZNQCLSA-N 415.519 0.527 30 20 HCED C[C@H](C(=O)NCC1CCN(CC#N)CC1)[C@@H](C)C(=O)NCC1CCN(CC#N)CC1 479801043 GAGNWPRPJAMIBN-HDICACEKSA-N 416.570 0.962 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OC 481591064 IYNYKMGGNBKEMR-CYBMUJFWSA-N 410.445 0.220 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 482811457 LUUCUIHULJEIID-ZIAGYGMSSA-N 407.496 0.368 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2=O)cc1 485733557 AITATJKXIFVMPL-IBGZPJMESA-N 409.490 0.820 30 20 HCED CCS(=O)(=O)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 486808115 JOZCTEACYZSFJQ-UHFFFAOYSA-N 407.452 0.736 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1C#N 490350985 BZSRQOSAPIVGNI-INIZCTEOSA-N 413.478 0.197 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 492110922 SDADTXSKTOOCEU-UHFFFAOYSA-N 406.508 0.433 30 20 HCED COCC(=O)N1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 501463742 VUVRJXRNPCVURS-UHFFFAOYSA-N 413.459 0.937 30 20 HCED COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C(=O)OC)C1 503888997 ZHBXXJYKKWVVGN-GWCFXTLKSA-N 411.392 0.582 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)n1 506779122 HJLNKKGGKKXHNF-UHFFFAOYSA-N 422.511 0.691 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)COC)CC1 508812811 XMFOWZQLACSNJJ-UHFFFAOYSA-N 419.507 0.830 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 508871566 FYJMTUWJDCRPSO-MRXNPFEDSA-N 419.507 0.876 30 20 HCED CN(CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)S(=O)(=O)c1cccnc1 510155573 CJHVBWMQZHCBFR-SFHVURJKSA-N 413.503 0.939 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)n1 512867368 OQTUHQJNYRKMJS-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(N)=O 517557533 LVHDJFYUOKJRFZ-NSHDSACASA-N 401.463 0.961 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 518635404 KZWSRZNGPKQWPF-UHFFFAOYSA-N 405.842 0.347 30 20 HCED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)n(CCC#N)n1 532561038 BGFYEMDDCWJKPH-UHFFFAOYSA-N 424.508 0.508 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN(S(N)(=O)=O)CC2)n(Cc2ccco2)c1C 532965921 WIYSEBOTYRJOPI-UHFFFAOYSA-N 420.495 0.378 30 20 HCED C=CCNC(=O)CNC(=O)c1cc(I)ccc1-n1cnnn1 539698380 VCMFCPNGUJZHRV-UHFFFAOYSA-N 412.191 0.299 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 540259705 UNCFLARYABRJAQ-UHFFFAOYSA-N 401.471 0.041 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 553056919 DTNFVGDDPVQVRC-UHFFFAOYSA-N 422.489 1.362 30 20 HCED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1 559984963 YTYRAPDSUMOTGD-HNNXBMFYSA-N 418.417 0.856 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccsc3)CC2)c1 564417331 VPCYAMWSNHTJLN-UHFFFAOYSA-N 418.500 0.883 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3cccs3)CC2)n1 582318079 YESFWBDNXGZDJW-UHFFFAOYSA-N 400.464 1.320 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 582937558 ZTUJVECISBNMMM-UHFFFAOYSA-N 412.475 0.970 30 20 HCED C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 582982328 LDTJJARJYUUHSJ-WBVHZDCISA-N 417.485 0.619 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCO[C@@H]3CCOC3)CC2)nc1 587658863 FVHMJZCGBQKSBB-QGZVFWFLSA-N 401.467 0.350 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)nc2)cc1 590650599 TYOBBFVKBCSKFF-UHFFFAOYSA-N 415.475 0.385 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCCOC)c2)c1=O 603987847 VLDAMYPPTAIQCQ-UHFFFAOYSA-N 401.488 0.594 30 20 HCED CNC(=O)c1cccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 610117408 KHHCIWQYACJTLT-UHFFFAOYSA-N 414.487 0.897 30 20 HCED C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@](F)(C#N)C1 615638961 KGUDEFYDSDHRKO-KDOFPFPSSA-N 410.471 0.972 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 619077277 KVYOLLXCMJPVJZ-QGZVFWFLSA-N 416.526 0.576 30 20 HCED C=CCOc1ccc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)cc1OC 619875742 RCQPYACYVUZALU-OAHLLOKOSA-N 406.435 0.780 30 20 HCED C=CC[C@H]1N(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCC1(C)C 671357349 GTKFBWGKCWNXAE-MRXNPFEDSA-N 414.572 0.273 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 674400172 NXYUWLRERYRPEK-JNNCMOEMSA-N 401.463 0.007 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 727109555 IEJSJNAPUAZOJO-CYBMUJFWSA-N 402.480 0.536 30 20 HCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 727160286 AQVFDFCKUIJVHM-UHFFFAOYSA-N 419.890 0.785 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O 729396026 OYSDXLUCFAZCLF-ZDUSSCGKSA-N 408.455 0.679 30 20 HCED N#Cc1cnn(CCOC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1N 729810872 GUKCULLPPFCZKV-JZLODUJNSA-N 422.445 0.683 30 20 HCED CC(=NNC(=S)NCC(N)=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 731928065 FNNNGIICJQQSAP-UHFFFAOYSA-N 409.493 0.432 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 732467417 VBFJUPLDQHSXHR-ISLYRVAYSA-N 414.422 0.953 30 20 HCED C#CCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 733162827 XWVXTLYLDVVLCF-MRXNPFEDSA-N 417.487 0.401 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 737225050 COTBBEXJYHCGPJ-UHFFFAOYSA-N 414.915 0.820 30 20 HCED Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 743877843 VUFWBRIVOPVMDT-UHFFFAOYSA-N 411.422 0.816 30 20 HCED N#CC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)CCCCC1 745144907 HTLHSWTWTMPNHT-UHFFFAOYSA-N 415.493 0.518 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N(CC)CC(=O)NCc2cccs2)CC1 747820226 PINNEEANPGXECR-UHFFFAOYSA-N 404.536 0.674 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968580 SONXEMJEVYDQQH-YJYMSZOUSA-N 410.438 0.437 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 756303571 LXVKEOQTYWSVEF-UHFFFAOYSA-N 408.476 0.244 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccon1 763458337 RQZITERXRVEKGW-UHFFFAOYSA-N 411.487 0.560 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CNC2(c3cccc(F)c3)CCOCC2)c1=O 764138034 IJCZLMOGNHOGBZ-UHFFFAOYSA-N 416.453 0.936 30 20 HCED CCOC(=O)c1c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n[nH]c1C 780743379 FNXDUKMLUPYFSM-UHFFFAOYSA-N 409.428 0.127 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)NCCC)Oc2ccccc21 783347692 LZNOCDPLJHWNRE-MRXNPFEDSA-N 423.491 0.024 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(COCCOCC)c1)[C@H]1CCS(=O)(=O)C1 783474796 JOJDYNCFYPRHHZ-SFHVURJKSA-N 422.503 0.827 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C4(C)OCCO4)C3)CC2)o1 784579650 YAISJGGYTYCCEE-MRXNPFEDSA-N 403.483 0.978 30 20 HCED C#CCN(CC#C)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 784871017 RXUTXHUQOYHRDY-UHFFFAOYSA-N 401.488 0.701 30 20 HCED COCCOc1ccc(F)cc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 786849385 UYNCPVNNCPZNKY-WUKNDPDISA-N 413.427 0.656 30 20 HCED Cn1cc(/C=C/C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 787060689 TWHMAIJOFJZNSJ-PXTSUWAFSA-N 411.374 0.031 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)n1 789794696 IGXGKCGODPLJGQ-UHFFFAOYSA-N 423.473 0.976 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C2CC2)C1 791185612 SVHUWFKXIOUIBN-OAHLLOKOSA-N 404.492 0.931 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1 793206014 UKCSXAMEVKXPJR-UHFFFAOYSA-N 415.468 0.974 30 20 HCED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 798488218 KBGXVDMBXZDKTE-HNNXBMFYSA-N 416.521 0.069 30 20 HCED C#CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 798799852 HBRPTXKEMMTKDV-UHFFFAOYSA-N 402.476 0.285 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 800058783 ZRNUJCYSMRQQKJ-XJKSGUPXSA-N 412.487 0.907 30 20 HCED C[C@@H](C#N)OCCOC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 801806319 FHRNXKPGLPOSID-WHOFXGATSA-N 402.856 0.936 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)C(=O)OCC)n(C)c2)c1 804959688 LVWQDLCXBWREJO-UHFFFAOYSA-N 417.443 0.669 30 20 HCED COc1ccc(OC)c2c1CN(C(=O)C(=O)NC1CCN(CC#N)CC1)C[C@@H]2O 805057646 JLUGEBNUZHACGV-HNNXBMFYSA-N 402.451 0.184 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3CSCCS3)C2=O)cc1 806470641 ZSIDYQHJNISBHY-HOTGVXAUSA-N 418.544 0.740 30 20 HCED CSCC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C 807905160 AYFFMURJRJMHKT-ZDUSSCGKSA-N 412.537 0.441 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4cccc(C#N)n4)CC3)ncnc21 811251812 IIXBMCHHPIUDRH-UHFFFAOYSA-N 406.406 0.136 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278216 GTJUXZFIFINKMS-UHFFFAOYSA-N 403.414 0.019 30 20 HCED C#CCN(C)c1cnc(-c2noc(-c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)cn1 813339991 LIVPWJKVQYCSIM-UHFFFAOYSA-N 404.390 0.209 30 20 HCED C#CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 816671059 MGEWVEDYZOSOOV-HZPDHXFCSA-N 421.519 0.570 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC1=NNC(=O)C1 819869769 YVWYMBWZRFOGBW-HNNXBMFYSA-N 419.507 0.912 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 821299033 HYSCJLBKTJBBQV-UHFFFAOYSA-N 404.901 0.893 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCOC 838245343 LQRGSPJZIPGXBI-UHFFFAOYSA-N 419.478 0.733 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@H](O)COc1ccccc1Br 849096111 AAYZINKFWYTTPA-AWEZNQCLSA-N 415.332 0.686 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914655567 XWQDQPBUEUZKIX-RRFJBIMHSA-N 400.497 0.378 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2nnc(C3CC3)o2)cc1 914894709 QFENPZZSJXDORW-UHFFFAOYSA-N 419.419 0.934 30 20 HCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 915925890 VNTSHMNFZSJTOT-UHFFFAOYSA-N 413.569 0.457 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21 916869107 ULPYTACFRQOHSF-HNNXBMFYSA-N 400.435 0.435 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 916890480 IMLIAVINMHIFSX-CQSZACIVSA-N 409.464 0.565 30 20 HCED CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)o1 917647296 DPEBKDLHUQEUTI-UHFFFAOYSA-N 411.461 0.955 30 20 HCED CSCC[C@H](NC(=O)c1ccccc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1167523632 MARXUKINNMRREY-HNNXBMFYSA-N 415.475 0.488 30 20 HCED N#C[C@@H](C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1cccc(F)n1 1344586140 GZVYBCCFLCIPAL-CQSZACIVSA-N 402.407 0.831 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cccn2)CCOC1 1516224082 JUHAHRUQTAAYQM-QFBILLFUSA-N 401.471 0.946 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1539775690 OFPNHPJAEQAJMC-LBPRGKRZSA-N 404.924 0.699 30 20 HCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1540998997 ZNTQYXJHCOGRAY-UHFFFAOYSA-N 421.465 0.574 30 20 HCED N#Cc1cn(CCNC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(=O)nc1O 1563803203 NKUBLSNSUVRWSE-GFCCVEGCSA-N 418.404 0.924 30 20 HCED CCOC(=O)[C@@]1(Cc2ccccc2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1638494954 XVQYRSVGJGTOAR-NRFANRHFSA-N 410.430 0.988 30 20 HCED CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1654439728 RCSLTZSCXOSDTA-UHFFFAOYSA-N 415.313 0.891 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778005064 OLTRINPPTTYTOA-WAWZGNHOSA-N 420.466 0.606 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1778976516 YTZQKFQSFNXPCB-VGSWGCGISA-N 415.490 0.802 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)O1 1779101926 SCAFUCZPONXGTI-HPXBXCFBSA-N 409.483 0.913 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1779104723 GAJNOJAJQSKMBX-DDIDFQKISA-N 422.438 0.139 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197761 JCQIVMRJSBQBNB-FOIQADDNSA-N 402.451 0.441 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335700 DSNMFGOAPOSSHN-DJJJIMSYSA-N 404.423 0.891 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c1 1780597742 RVZYPYKMJXKZNK-NZQKXSOJSA-N 419.485 0.967 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)CCO2)C1 1781395950 FZRRYUXJMGVJNG-JUZZZCAGSA-N 406.527 0.957 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c1 1782057347 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473972682 YKGBVHDLCSQBQO-GOSISDBHSA-N 423.535 0.714 30 20 HCED CN(CC(=O)Nc1cc(-c2nccn2C)nn1C)S(=O)(=O)c1ccc(C#N)cc1 484956112 WJURYXXEYVAVPJ-UHFFFAOYSA-N 413.463 0.951 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@]2(CCOC2)O1 485054627 NAPDPZMSIHIXGN-UWJYYQICSA-N 424.461 0.933 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)n(C)c1 488600519 WSTMSFRWGZXDAW-INIZCTEOSA-N 407.430 0.421 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 490734918 UOFCJQUCCYJAMT-UHFFFAOYSA-N 422.445 0.495 30 20 HCED Cc1nnc(SCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)n1CC(N)=O 502889741 SWRULLZSQFZNQI-CYBMUJFWSA-N 419.536 0.635 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 504195603 QVGFFCYNDCWPLR-AFQPOQBFSA-N 422.441 0.332 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1CCC#N 505019196 CEISTQNZBFZGQM-OAHLLOKOSA-N 402.455 0.141 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(=O)NCCF 506445891 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20 HCED COC(=O)[C@@]1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1 538391255 RGYSDMRYLHLVMA-FXAWDEMLSA-N 404.442 0.456 30 20 HCED Cc1nnc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 540938208 HWKVDAJTZBTLBC-UHFFFAOYSA-N 406.493 0.934 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 548618267 BLXRCKPPGCWHIF-ZDUSSCGKSA-N 413.455 0.520 30 20 HCED Cn1cnnc1COCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 549322076 MQQLHWIODHAGFO-UHFFFAOYSA-N 412.429 0.859 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1 552736130 LCODQNDJVLMRNF-DEYYWGMASA-N 414.487 0.999 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)o1 553533650 CIUFHQAEXBRYRP-ZDUSSCGKSA-N 401.400 0.837 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccccc1 558947894 XEQJEWQXJOAEPL-HOCLYGCPSA-N 404.496 0.860 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1C 559534080 ITRSJLJGSXHBBB-UHFFFAOYSA-N 404.496 0.850 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1 577271877 FPTPDYZOTBETAJ-HNNXBMFYSA-N 409.494 1.040 30 20 HCED CN(C(=O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1)C1CCCCC1 577903665 NNCXYHYTLFPXNX-UHFFFAOYSA-N 402.503 0.268 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 583637161 DIJHFMPGBUSBIM-HZPDHXFCSA-N 415.469 0.909 30 20 HCED Cc1csc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 585725187 JLDJJFVQQRCRHO-INIZCTEOSA-N 411.487 0.899 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1 603561549 RDIZVHOBYBXURP-UHFFFAOYSA-N 413.503 0.966 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccccn2)c1=O 603796943 RSFIDOWPRRZRCT-UHFFFAOYSA-N 400.504 0.761 30 20 HCED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 609214067 OWUHTOVXRPGPDQ-RTBURBONSA-N 405.543 0.394 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 609676673 DJJMJWGHCCUNJJ-QGZVFWFLSA-N 401.448 0.221 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CCN2C1=O 610776534 SYFHJKMZQCQDIU-LBPRGKRZSA-N 421.360 0.593 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CCN2C1=O 619067029 YRHBXXFFCZIZPY-ZDUSSCGKSA-N 400.439 0.548 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c1=O 677123605 JPQWRFMHELNESQ-UHFFFAOYSA-N 401.492 0.120 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 725796171 QWMXMDWYTTVPQP-JSGCOSHPSA-N 403.464 0.525 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O 726042710 FLOBZVYLZZDQLZ-JTQLQIEISA-N 404.335 0.442 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 728133243 APIURRVWUKWOBP-UHFFFAOYSA-N 415.429 0.527 30 20 HCED CNC(=O)CNC(=S)NN=Cc1ccc(OC(=O)c2ccncc2)c(OC)c1 731927366 UHTCVPMNRXYSGO-UHFFFAOYSA-N 401.448 0.853 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)cc1 734230144 QVZARZVLOSQGHI-JJTVEENBSA-N 408.480 0.325 30 20 HCED C[C@H](CC(=O)NCCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742490124 OJJGVQPDYVUBHK-OAHLLOKOSA-N 407.540 0.257 30 20 HCED C[C@H](CC(=O)NCCc1nnc(S)n1C)/N=C1/NS(=O)(=O)c2ccccc21 742638621 WJPNHDIAPBJKHX-SNVBAGLBSA-N 408.509 0.280 30 20 HCED COC[C@H](Cn1cncn1)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 756607617 CVGYWZPEAIBUHT-STQMWFEESA-N 407.452 0.354 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 761031105 NPBZSRXZNUTHED-UHFFFAOYSA-N 406.424 0.230 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1[N+](=O)[O-] 765146919 YTEKARGOJWTCRA-UHFFFAOYSA-N 409.383 0.890 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 767851398 OVFZFZHJBXHVDV-UHFFFAOYSA-N 400.478 0.193 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 770291648 FHVIHEWKFURWAF-OAHLLOKOSA-N 407.540 0.257 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1C(F)(F)F 771898191 VZFVFLFEEGDRNW-UHFFFAOYSA-N 404.370 0.805 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1c(C)nc2cc(O)nn2c1C)c1cc[nH]n1 772280592 XAPXOZCTMQAXDI-UHFFFAOYSA-N 415.410 0.375 30 20 HCED COC(=O)Cn1cc(C(C)=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)nn1 772840917 LLXLABHNBIFGFE-UHFFFAOYSA-N 409.472 0.759 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 772936598 UHTCWRWXWQAMHV-UHFFFAOYSA-N 407.430 0.852 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)o1 781598962 GGGUWICDESGAGV-UHFFFAOYSA-N 401.397 0.659 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[C@H]2CCOC2)c1 785150411 CUZGSKSANRILAO-AEWZPABSSA-N 422.507 0.981 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)Nc1cccc(C#N)c1 785649448 AOEPIUCRHWRYBU-RDJZCZTQSA-N 414.462 0.609 30 20 HCED C[C@@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)Nc1ccccc1C#N 785661381 NJIQXLCKULXHAB-NVXWUHKLSA-N 414.462 0.609 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 793205478 WFBUMZANPJMJFA-UHFFFAOYSA-N 418.522 0.116 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 797055339 SXXYCWOLFYEKNL-OAHLLOKOSA-N 418.450 0.814 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 798037054 VDRUGQNICVBICT-GXFFZTMASA-N 410.272 0.990 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 799286672 JEKRSKLYCVRDKH-JTQLQIEISA-N 422.381 0.818 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1COCCN1CC(F)(F)F 802765254 REVVWQQATFABAR-LLVKDONJSA-N 407.370 0.635 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 806190674 GWZWJDFMZDMLMR-OFJJUDJNSA-N 418.519 0.833 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccnn2C)c1 807469560 JHIVPTYGAZEQLK-QNGOZBTKSA-N 404.452 0.810 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)c1 813026055 JLSNPPQOPQMGRH-MOLDEKSUSA-N 422.507 0.810 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 815337902 FMPSFNYLKKTGCZ-UHFFFAOYSA-N 420.433 0.444 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)c1 815774565 DWVFFNCPNFQMRA-UHFFFAOYSA-N 401.467 0.636 30 20 HCED O=C(N[C@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 816755553 CQHVZGXURHNQNU-LBPRGKRZSA-N 416.887 0.632 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)cc2)c1=O 916199614 IYOWOHQOANARII-UHFFFAOYSA-N 413.499 0.690 30 20 HCED COc1ccc(C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 916869172 DEMWXVBJTZYKRZ-HNNXBMFYSA-N 421.475 0.661 30 20 HCED CCN(CCC#N)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1218326457 SQLZZGCZBNQAOM-KWEHFYSOSA-N 402.495 0.084 30 20 HCED COCCn1nnc2c1CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1261249302 JSONQQAGSNXUFH-UHFFFAOYSA-N 403.464 0.296 30 20 HCED C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CCN1c1nccn2cnnc12 1319306033 NFNICALLMWZQAU-OOESYIKTSA-N 410.438 0.078 30 20 HCED CN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C#N)o2)CC1 1464531892 OMOSJBOYSWHUES-KRWDZBQOSA-N 402.476 0.815 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1=O 1503681776 MKLLDWLFPIAJND-UHFFFAOYSA-N 407.438 0.184 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1516224985 KQMPHOOMFCWFRN-OXQOHEQNSA-N 421.498 0.591 30 20 HCED Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1534309953 JDKROZJAQUFLIR-GFCCVEGCSA-N 409.468 0.774 30 20 HCED COc1ccc(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)c(OC)c1OC 1542776136 NKIRTYSRTUCDIJ-UHFFFAOYSA-N 402.407 0.595 30 20 HCED Cc1cc(O)nc(C(C)(C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1628213582 OKSIOCCFZJCVMR-UHFFFAOYSA-N 403.464 0.971 30 20 HCED CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634188483 VVWRCLGOOURVIT-GOEBONIOSA-N 407.496 0.681 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1655553121 QQSWPGAXFDBVJV-UHFFFAOYSA-N 415.884 0.630 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CCO1 1748208785 PCISSMJNVFPVTN-SFHVURJKSA-N 420.477 0.858 30 20 HCED CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1767856182 IIONJCRLKAPNRK-MRXNPFEDSA-N 410.479 0.131 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1768981127 BPERRMXSLFYZLK-SFHVURJKSA-N 405.480 0.449 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778670667 SNHQGKKIISBNBE-XOWGOQOESA-N 414.510 0.745 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1778970713 DWJSIGQHTONJOS-TWOQFEAHSA-N 405.499 0.317 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1779102517 ZRCAXCOJWHNBIC-MFBSEBAMSA-N 419.434 0.612 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107743 YIPDKEJCRHOUBA-DSLRRYSGSA-N 410.515 0.686 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1780801966 IBFPMNILPFXHFO-UIVXKWKOSA-N 408.499 0.580 30 20 HCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781661603 WTYABNNCXUWLAT-SQGPQFPESA-N 410.536 0.881 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2cncn2)C1 1782449521 CJTOZRAZKUNMFP-CBGDNZLLSA-N 419.526 0.755 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783110786 UXPRRYUIQBNOCI-YJYMSZOUSA-N 400.439 0.073 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@H]3C3CC3)[C@H]2C1 1783937503 UUNUULNUXUAWAS-CYPIUYMASA-N 401.507 0.871 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C[C@@H]21 1784380279 AEYSWDQYKWGUEK-AVGNSLFASA-N 420.359 0.735 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1)C(F)(F)F 1784460802 WIDLPUCOTVZPFR-INIZCTEOSA-N 400.357 0.804 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(c4cccc(F)c4)CC3)[C@H]2C1 1784975041 ILHVZVAYBWMCIY-WBAXXEDZSA-N 414.433 0.925 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCNC(=S)NC)C[C@@H]21 1785016256 WSYHVPKGBZIBEB-KKUMJFAQSA-N 414.597 0.369 30 20 HCED O=C(Cn1ccnc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786159409 SFOIVCFRFPZRKB-SNZGZBMPSA-N 419.482 0.392 30 20 HCED Cn1ccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1786164699 ZPHJDFWIVGFELD-BZSNNMDCSA-N 414.506 0.712 30 20 HCED 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Cc1ccc(-n2nc(CCCNC(=O)NCCN3C(=O)CNC3=O)c(C#N)c2N)cc1 478517320 OFCHAHGHFSLACB-UHFFFAOYSA-N 424.465 0.418 30 20 HCED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481265726 WLWHABZSOPHPOZ-BBRMVZONSA-N 424.548 0.995 30 20 HCED C=CCSc1ccccc1NC(=O)CN1C(=O)[C@H]2CN(C(N)=O)CCN2C1=O 482046938 LMUZZGAFDXAOEM-CYBMUJFWSA-N 403.464 0.930 30 20 HCED C[C@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[S@@](C)=O 482920908 XDURYRYDKDQQML-IYJVBRSBSA-N 412.537 0.731 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489296830 VAERWJPNXIGVKB-ZBFHGGJFSA-N 424.498 0.696 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 492094442 LDJMXUVZMGLOED-UHFFFAOYSA-N 400.479 0.780 30 20 HCED Cn1c(NCCN2CCN(C(=O)C3CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O 498928669 IWMBOOFVNCSFMB-UHFFFAOYSA-N 402.499 0.092 30 20 HCED COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508364411 YYWKTWVBHHDVSM-NSHDSACASA-N 406.830 0.972 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 508998006 BPKKQCQWQVPFDT-CYBMUJFWSA-N 413.548 0.704 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 510491701 MICRKHMQXMRQAT-AWEZNQCLSA-N 413.521 0.775 30 20 HCED N#Cc1ccccc1OCc1ccc(C(=O)NCC(=O)NCCN2CCOCC2)o1 518359088 PKGBLBUAPKUOFG-UHFFFAOYSA-N 412.446 0.908 30 20 HCED COc1ccc(NC(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 520696106 WOSZNQXCUOCDTE-AWEZNQCLSA-N 410.452 0.472 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCOCC2)CCO1 521590907 WJSRNTHWAVFTBC-ZDUSSCGKSA-N 423.267 0.975 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C1=O 522124852 PGMYFJKOWPCKLD-UHFFFAOYSA-N 413.434 0.776 30 20 HCED CS(=O)(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 526977930 UPELGLRIAKLYBW-UHFFFAOYSA-N 411.505 0.358 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(=O)Nc3ccc(Br)cc32)C1=O 533757965 BDOUTXAPYPDFJO-UHFFFAOYSA-N 421.207 0.711 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)n(Cc2ccco2)c1C 534554104 KPAOOSXKLQGDIN-OAHLLOKOSA-N 405.480 0.919 30 20 HCED N#Cc1cc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)ccc1C(F)(F)F 548764624 GQFCPQZUFVYMJJ-CYBMUJFWSA-N 407.370 0.641 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 551370057 BZHPTPMIEAWWAO-UHFFFAOYSA-N 406.464 0.574 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)CNc1ccc(C#N)cn1 557720063 MWXKVIYXVPMGHX-UHFFFAOYSA-N 407.883 1.422 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 561373414 CUAONYIQPWNNBG-CXAGYDPISA-N 418.519 0.988 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)c3ccccc3C2)cc1 562194772 WMALAAXSMPGEEG-UHFFFAOYSA-N 419.484 0.653 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCc2nnc3n2CCCC3)CCN1Cc1ccccc1 565496369 PEUVVKGLSFYWSM-KRWDZBQOSA-N 407.478 0.467 30 20 HCED CCOC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 571846388 YWXFCUBGVLHNGL-KRWDZBQOSA-N 409.464 0.311 30 20 HCED CN(CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)Cc1ccc(F)cc1 579162281 MZYULUFQMUXUIH-UHFFFAOYSA-N 415.473 0.642 30 20 HCED CS(=O)(=O)N1CCN(CCN=c2c(C#N)c[nH]c3c(F)c(F)c(F)cc23)CC1 587439378 ZENFVQAIIOWAEG-UHFFFAOYSA-N 413.425 0.935 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 610810765 GSQAAFHWUOIPQW-CJNGLKHVSA-N 423.491 0.794 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4F)n3)CC2)nc1 611148083 PSERGFZWJMCPCK-UHFFFAOYSA-N 420.408 0.960 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 726203558 BQUFMZKQUFENEO-AWEZNQCLSA-N 413.434 0.970 30 20 HCED CNC(=O)COc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 729436649 XNDUQAGDHOVPKI-UHFFFAOYSA-N 416.459 0.879 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 731127459 FMVJIYULXSOQTK-UHFFFAOYSA-N 400.479 0.554 30 20 HCED N#CCCCS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 732215254 KEZLKZLGGUEAOQ-UHFFFAOYSA-N 419.437 0.628 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738856291 SOKISKOYNXNFEI-ZDUSSCGKSA-N 400.435 0.687 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCC)c1 741238545 GNHAAXVPKSLUMV-ZWKOTPCHSA-N 406.504 0.990 30 20 HCED COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746379913 SKWGJZWKJGZJHS-UHFFFAOYSA-N 411.466 0.292 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)s1 749669962 FVGIHDZFPHECON-UHFFFAOYSA-N 408.461 0.813 30 20 HCED C#C[C@@H](CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 754379058 FTHRLKJFQOCTMS-INIZCTEOSA-N 421.519 0.836 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 755538231 PGKLSLAIPKDHNN-YGRLFVJLSA-N 419.413 0.738 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758068424 KXRINMVHDIKPQO-UHFFFAOYSA-N 414.468 0.638 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3c2OCCCO3)c1=O 758079992 YWHPMDRWDMVTIZ-UHFFFAOYSA-N 423.494 0.732 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(F)cc2)c1=O 758091735 XGHUZYUAWXAOFK-UHFFFAOYSA-N 413.499 0.761 30 20 HCED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 760092300 XMRNJCZEUFHZMQ-UHFFFAOYSA-N 419.438 0.804 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC1 761024535 PEWITJXPZJNBCH-UHFFFAOYSA-N 422.595 0.746 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2ccc(I)cc2)CC1 761037303 OSPHVVKPFUVXGX-UHFFFAOYSA-N 419.288 0.876 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1c(C)oc2ncn(C)c(=O)c12 766985810 HYLATIGKBXQGBK-UHFFFAOYSA-N 402.388 0.834 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629598 WGSYPTSWHJQYFN-NWDGAFQWSA-N 408.436 0.169 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCF)C1=O 767738721 PHJBBITUHDDHIJ-GJEKEPIOSA-N 416.500 0.630 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)c1nccc2c(S(N)(=O)=O)cccc12)C1CC1 768625316 UEPJPNBIVFLHMS-GOSISDBHSA-N 402.432 0.847 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 771754602 VOWGPSHPAJDIPH-SFHVURJKSA-N 411.487 0.893 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(OCC)c3)c2=O)cn1 772313018 ZOYCDFIMERWKIU-UHFFFAOYSA-N 421.482 0.844 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 773238267 RZIBWHYNDBBREW-UHFFFAOYSA-N 412.490 0.794 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 773440812 GJNONPVNBAOPPD-UHFFFAOYSA-N 423.491 0.148 30 20 HCED O=C(NCC#CCO)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 774293042 OOQHPLFFARQSSN-UHFFFAOYSA-N 407.275 0.740 30 20 HCED C#C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 775330226 PZJMZNJMIMMPJI-RBUKOAKNSA-N 406.504 0.937 30 20 HCED COC[C@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 776670115 GHYQVEWCRAOUIQ-SFHVURJKSA-N 411.480 0.891 30 20 HCED C#CCOc1cccc(Cl)c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 777443665 NNUIVIHAIXVAIS-UHFFFAOYSA-N 410.839 0.062 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 779612155 UKTWCSUZCIHHSZ-SFHVURJKSA-N 421.523 0.888 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@H](COC)OC)C1=O 781104166 NOEQLPCENPSVSV-ZIAGYGMSSA-N 408.480 0.515 30 20 HCED C#CCN(C(=O)C(=O)Nc1sc(C)cc1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 783480081 IDSWUBGQSQSUIP-LBPRGKRZSA-N 412.489 0.821 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCC[C@](C)(C#N)C1 785069735 YNYIZJHBWAXBGO-LJQANCHMSA-N 404.492 0.978 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)C1CC1 785184777 DJXWZLBLSIONQE-CYBMUJFWSA-N 404.492 0.977 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cc[nH]n1 789940421 XPUNSKSYZRPHCY-UHFFFAOYSA-N 413.434 0.678 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)c3cc[nH]n3)CC2)cc1 796868758 MQCWCXHNYVQXNT-UHFFFAOYSA-N 423.476 0.187 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1F 806544552 IXZXHQRAPNWLBE-PFONDFGASA-N 411.415 0.382 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 807336396 GPMTWXFVLXAQPJ-SFHVURJKSA-N 420.469 0.852 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 810778909 QRNHUTIZTYMTAK-CQSZACIVSA-N 411.505 0.753 30 20 HCED C#CCCN1CCN(C(=O)c2ccc(C(=O)N3CCN(CCC#C)CC3)nc2)CC1 813432829 VATPSJOJPUBONN-UHFFFAOYSA-N 407.518 0.644 30 20 HCED O=[N+]([O-])c1ccc(NN=C2COCCOC2)c(S(=O)(=O)N2CCOCC2)c1 814696506 IAAWDSUQVNAVSX-UHFFFAOYSA-N 400.413 0.430 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 849055805 HPZINYAAHIFZFJ-HXUWFJFHSA-N 405.543 0.566 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4cc(O)ccc43)nc2)CC1 915947593 DGDIQWITTIAFGA-UHFFFAOYSA-N 416.463 0.492 30 20 HCED CS(=O)(=O)CCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 918338285 NNEFEEYQIVLYDC-UHFFFAOYSA-N 415.537 0.836 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)Cc1c(C)nn(CCS(C)(=O)=O)c1C 1116904004 WXOFHKJXTLPITR-UHFFFAOYSA-N 401.514 0.604 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c(=O)nc1O 1141865989 MDILDRMLVASRDU-UHFFFAOYSA-N 420.429 0.215 30 20 HCED CC(C)(C)OC(=O)NCC1(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)COC1 1148261374 SCSYIJSJOAOBES-UHFFFAOYSA-N 423.491 0.883 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](O)(CC#N)C3)CC2)cc1 1299890107 OYHUVFSWLJNCBN-IBGZPJMESA-N 407.492 0.973 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1C(=O)NC(C)(C)C1=O 1340548286 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N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)c1 1838732872 DKGKPJUUGNELJN-FQEVSTJZSA-N 401.467 0.052 30 20 HCED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)CCCN1 1839120837 DIBQXQOBICVXRC-PKTZIBPZSA-N 411.502 0.637 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839364125 NNJUGLFYCQWIHI-HRAATJIYSA-N 401.463 0.858 30 20 HCED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)COC1 1839775629 MUTOBAPXDWTGOG-HNAYVOBHSA-N 400.541 0.824 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1839845955 DFXFYBSVIKZILD-QXFGJNNOSA-N 420.506 0.998 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840165930 OBXMBAZPAYDPHW-KXBFYZLASA-N 410.540 0.354 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840166174 WWWYYNIUXZJVNB-YWZLYKJASA-N 419.503 0.712 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCCn4ccnc4)CCO3)C2)CC1 1840382613 OWCBUZYEHKDBTH-HXUWFJFHSA-N 401.467 0.423 30 20 HCED 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COCCN(CCC#N)S(=O)(=O)N1CCC(N2CCN(C(C)C)CC2)CC1 409579880 YHEMSNXNDALXAX-UHFFFAOYSA-N 401.577 0.584 30 20 HCED CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCN(S(C)(=O)=O)C1 428803287 QKFHYIOYZYUKMC-INIZCTEOSA-N 402.480 0.648 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(N4CCOCC4)CC3)C2=O)cc1 433739913 MOVFUURUMUYFHH-QGZVFWFLSA-N 411.462 0.744 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c2)CC1 437414463 VTFMJPYAONGHQF-OAHLLOKOSA-N 421.523 0.569 30 20 HCED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 439563784 WVPBJBPFDJURIN-UHFFFAOYSA-N 400.414 0.612 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cc(C#N)ccc1OC 442313548 WRRPKSMTFIOCSL-VDERGJSUSA-N 415.402 0.457 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)n2)cc1 443740932 CHBIWEVZWBXBBB-SFHVURJKSA-N 408.462 1.554 30 20 HCED Cc1ccc(-c2nc(CC(=O)N3CCSCC3)no2)cc1S(=O)(=O)NCC#N 445550202 QJHSMNNAFIHJJF-UHFFFAOYSA-N 421.504 0.965 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1 460612189 BQSZWVZTMPFFIZ-HNNXBMFYSA-N 417.433 0.653 30 20 HCED CC(C)(NS(C)(=O)=O)c1noc(-c2ccc(S(=O)(=O)NCCC#N)cc2)n1 460649538 URLATJMZPVWIBC-UHFFFAOYSA-N 413.481 0.713 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c1 462616544 NZMJDJZIJDFKPV-INIZCTEOSA-N 417.491 0.728 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 471793374 MYGOEOKDCHMPEI-ZDUSSCGKSA-N 409.468 0.687 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 472065252 WEOUUWQBWMBJEF-HNNXBMFYSA-N 422.507 0.275 30 20 HCED C=CCOC[C@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 481576926 KSWQXLYAHWDNTO-HNNXBMFYSA-N 416.883 0.828 30 20 HCED C[C@H](C(=O)NC[C@@H]1CCCN(CC#N)C1)[C@@H](C)C(=O)NC[C@@H]1CCCN(CC#N)C1 484430124 IDXIXLLKHMBHMT-YRPNKDGESA-N 416.570 0.962 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1F 489137312 YRINGRZTYJDMTL-UHFFFAOYSA-N 424.479 0.856 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(=O)NCC(F)(F)F)CC2)cc1 501267176 ZYSNVDGTXDFHLG-UHFFFAOYSA-N 418.397 0.460 30 20 HCED COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 513283959 IJBNHFMVUCAFMF-LBPRGKRZSA-N 415.381 0.612 30 20 HCED C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 531936347 NGFPOPPDSPVQPH-UKRRQHHQSA-N 411.505 0.427 30 20 HCED CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)ncn1 536966522 PUMXHBVYZRYVFO-AWEZNQCLSA-N 411.470 0.891 30 20 HCED C[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCN1S(C)(=O)=O 540675580 VWTUULZJOWLXLK-AWEZNQCLSA-N 402.480 0.648 30 20 HCED N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 546768875 BTVYPYHXPSZGDL-UHFFFAOYSA-N 416.481 0.876 30 20 HCED N#Cc1ncn(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 552327026 HXFLRXVVYRTFGP-ZDUSSCGKSA-N 406.443 0.506 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)C1=O 553740979 OKLFMJYYEGWTNM-ZJUUUORDSA-N 422.467 0.157 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 561039233 ZXTSTKNWHOOIIJ-UHFFFAOYSA-N 415.519 0.356 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 561939082 LGDAWIMBSPTUQR-UHFFFAOYSA-N 407.431 0.005 30 20 HCED COc1cc([C@@H](C#N)NC(=O)c2cc(S(N)(=O)=O)cn2C)cc(OC)c1OC 569630721 VEKWUXGABGAFPF-GFCCVEGCSA-N 408.436 0.693 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 570306861 IXAYHILEZLWJHC-MQVJKMGUSA-N 413.478 0.705 30 20 HCED N#Cc1ccc(NC2CC2)c(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 571309135 WYXHAVSPDZHGPU-UHFFFAOYSA-N 403.420 0.741 30 20 HCED Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 574787969 OWLDNOCOZLNBHN-INIZCTEOSA-N 407.434 0.112 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 581580305 SVVOCUXAUPTANO-UHFFFAOYSA-N 415.472 0.906 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)cnc21 588836866 SUTWYSYSGFSOAQ-UHFFFAOYSA-N 402.374 0.926 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC(C#N)C3)CC2)c1 590488458 SOWMJFUUEIUWPY-UHFFFAOYSA-N 418.519 0.899 30 20 HCED N#Cc1cccc(CS(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 603640664 VEXFRNJVGSRGLV-UHFFFAOYSA-N 420.516 0.858 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2F)c1=O 603795228 OKPQWSNFVLTXDE-UHFFFAOYSA-N 401.463 0.821 30 20 HCED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C1 612270888 JATIGTAGBPZKTR-LJQANCHMSA-N 401.471 0.771 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 615633644 ZPRQXHAAJVRFPV-KRWDZBQOSA-N 410.427 0.110 30 20 HCED C=CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O 681558982 WTVNUYOMEJSRQX-AWEZNQCLSA-N 404.466 0.015 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O 726043693 QAWZWVFKWIDYQA-GFCCVEGCSA-N 403.391 0.932 30 20 HCED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909471 AWKXXXDETNXFOW-SWLSCSKDSA-N 407.423 0.144 30 20 HCED COc1cn(-c2ccccc2)nc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909664 DUPVUTRGIZGEOW-AWEZNQCLSA-N 402.432 0.460 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 733564376 JYGVHQDYNLLDNA-AWEZNQCLSA-N 414.418 0.902 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)CC1 735937059 DLQFWFXCJRZYHK-GOSISDBHSA-N 410.536 0.833 30 20 HCED C#CCSCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 740150280 VPTFCAZFNLHSEC-UHFFFAOYSA-N 411.549 0.930 30 20 HCED C[C@H](CC(=O)N1CCC[C@H](N2CCNC2=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742582457 IDUFLIFRQDTDQW-KGLIPLIRSA-N 419.507 0.520 30 20 HCED C[C@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745439328 AUTXEIYFTFCTGB-ZJPZJRRFSA-N 417.462 0.765 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 747228181 ZNBVJOMATNMCQH-CYBMUJFWSA-N 414.465 0.105 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C(C)C)C3=O)CC1 747742831 ZTMZLBIRGOUHCO-UHFFFAOYSA-N 417.487 0.841 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc(C(N)=O)cc1 748791529 WACIRTBIESXDFK-UHFFFAOYSA-N 403.448 0.958 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 751002195 BWOAKZSBDBGISL-UHFFFAOYSA-N 409.240 0.865 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)cc1C#N 752403693 HLBMGALNDDKSGF-UHFFFAOYSA-N 417.466 0.980 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1 753693908 VADNWLWVCIYLPH-DLBZAZTESA-N 410.517 0.780 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@]3(CCc4ccccc43)C2)c1=O 753813523 CSZHCXHSYXZTBC-QFIPXVFZSA-N 410.474 0.675 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCOC)c1 756233273 YDMUMBMGEUPADK-KRWDZBQOSA-N 409.508 0.505 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 761024396 NHNNQMBJGRLUBR-CQSZACIVSA-N 405.480 0.891 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNc1ncccc1C#N 763380719 CERAKSCFOJXHNN-UHFFFAOYSA-N 415.417 0.881 30 20 HCED COCCCCS(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 766974594 MRWHOICPZWSDFW-GFCCVEGCSA-N 417.509 0.376 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O 767680571 MNJGSFNDQVQHKO-MFKMUULPSA-N 419.381 0.931 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 768724169 HEAHDXVNAGHBPV-UHFFFAOYSA-N 406.489 0.697 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(C=C)c2)c1=O 772329303 ISWHAMROXQZDNP-UHFFFAOYSA-N 417.498 0.709 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 773058605 SMBHWPNXNCFEDS-DLBZAZTESA-N 414.505 0.167 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@@H]2CCCOC2)cc1 781375863 SHIIHDGUPFPITO-WBVHZDCISA-N 408.476 0.686 30 20 HCED CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784379886 UGEXXIFBVNTPTC-RCCKNPSSSA-N 423.495 0.032 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 792447580 YXLPNPHCVQRMEL-CQSZACIVSA-N 407.496 0.020 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc(OCC#N)cc1 793369858 NIQNCXRXZHHPOT-IBGZPJMESA-N 400.435 0.821 30 20 HCED C[C@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 798796840 GXEBBPJNIBQXTL-BBRMVZONSA-N 416.459 0.935 30 20 HCED C#CCC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 799080760 NABCKVNRFOHMAB-OAHLLOKOSA-N 409.508 0.278 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 799287296 OHPMICFMUCDRPI-IBGZPJMESA-N 400.479 0.180 30 20 HCED C[C@H](CC(=O)NCCN1CCN(C)C(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 799743821 CBNSRJLPTWUREM-OAHLLOKOSA-N 421.567 0.646 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCCO1 808798687 QRCKCUNAQGGLKS-IRXDYDNUSA-N 405.476 0.140 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@H]1CCCO1 808955850 NTLCKUPAIFFZPW-MDASCCDHSA-N 401.463 0.696 30 20 HCED CON(C)C(=O)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 812869468 BDGSVAMXZYKXHR-UHFFFAOYSA-N 404.471 0.235 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)C1=O 813380849 OKPODFQREJCOEH-UHFFFAOYSA-N 406.420 0.470 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 814180646 NRASOWADNPJRQP-KSSFIOAISA-N 416.478 0.648 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 814549900 HYIDQHNNUUFFJP-KRWDZBQOSA-N 408.476 0.840 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)cc1 914564905 KWLMQEYJZFJUEE-UHFFFAOYSA-N 423.498 0.670 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 916870733 NJKYOXWTUYURSZ-YWZLYKJASA-N 400.435 0.624 30 20 HCED COCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 917688975 YFHXLROMFVLEEH-LQFHHUIYSA-N 422.507 0.933 30 20 HCED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918242386 ANKRRFDTUMCEED-FLLWUHORSA-N 423.495 0.079 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCS(N)(=O)=O 918380670 INVXWAIXPHUHJM-ZDUSSCGKSA-N 416.525 0.079 30 20 HCED COCCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc2S1(=O)=O 919542088 QAASEDSPLCSOPJ-GFCCVEGCSA-N 423.447 0.395 30 20 HCED C=CCn1cc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 982927138 IQXQMYSBJBRKTR-JFIHLENRSA-N 415.494 0.481 30 20 HCED N#CCCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccccn1 1116207228 SCIXURZCFYNERD-GOSISDBHSA-N 405.524 0.129 30 20 HCED CCN1CCN(CC(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1162081541 WDZJVNLDSGGLAA-MRXNPFEDSA-N 421.567 0.757 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2CC(N)=O)CC1 1195235036 VLWJRAFLQBYUAG-QZTJIDSGSA-N 403.458 0.111 30 20 HCED Cc1cc(CN2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)no1 1261202314 ITTSDHOHJFYMQP-UHFFFAOYSA-N 417.491 0.868 30 20 HCED Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1290191784 LJRRJTJOJRPIHX-GDBMZVCRSA-N 404.496 0.974 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)C1 1302979122 OBFRNDNQUFLKOQ-DYVFJYSZSA-N 410.475 0.148 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1323407519 PKHGHCLTNSDASN-GHXQLAGASA-N 406.464 0.688 30 20 HCED CN(CC(=O)N1CCOCC1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1328272021 HBSYNAQREFTUCS-MRXNPFEDSA-N 413.434 0.080 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)cn1 1503653525 UJPBHCICMIXOJS-INIZCTEOSA-N 400.487 0.518 30 20 HCED C=C(Cl)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1507874850 WYAOOWDJWNNVDV-LLVKDONJSA-N 401.880 0.841 30 20 HCED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1518388887 MGRXKVUOHTYSCU-HNNXBMFYSA-N 406.468 0.232 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1532530301 ZYFNOCAAIWLURE-UHFFFAOYSA-N 421.475 0.626 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1640618596 QUOYANSZLSCSQC-CVEARBPZSA-N 422.459 0.426 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 1665808089 ZBSBKRGVBZCWNC-AWEZNQCLSA-N 415.541 0.195 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1=O 1723622155 SDITXFJJRQIFJJ-OAHLLOKOSA-N 403.487 0.548 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1777708619 UJCHXWOFNHOHEL-QJKPHDSHSA-N 423.473 0.865 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382484 JTFPXARXWZDHAQ-VFNWGFHPSA-N 415.494 0.672 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779084818 OMLGBINUOZKURO-DYESRHJHSA-N 409.527 0.459 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2cncn2)CCO3)c1 1780175830 MPLHZRVZINMMOE-YCRPNKLZSA-N 424.461 0.863 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(CO)on3)C2)c1 1780218961 FZBMJHSCFPAGTQ-YLJYHZDGSA-N 413.434 0.808 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1780693827 XGHUENQEIBODBC-OAQYLSRUSA-N 408.414 0.715 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1781265543 QCRXTXYBZARNML-HXUWFJFHSA-N 404.467 0.531 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1781270675 SEBUZRFTEZWUJY-OXQOHEQNSA-N 419.482 0.254 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1781390083 CREIHEGJEZVYPL-IFXJQAMLSA-N 407.471 0.225 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)cc1 1781786549 CPPJHXMZXCTPFY-OAQYLSRUSA-N 423.429 0.711 30 20 HCED CS(=O)(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961561 ICUHAKYGQCHKLE-SFHVURJKSA-N 409.439 0.185 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)Cc1cccnc1)C2 1782180057 RZKIJMSWMNONOZ-UJAMICLKSA-N 406.552 0.784 30 20 HCED CCn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c2ccccc21 1783562718 PEBDQEWQRZRRCG-NRFANRHFSA-N 410.430 0.588 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1)n1cnnn1 1784603763 UZZZVQWXMJDOBI-MGPUTAFESA-N 409.450 0.444 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785670964 ZATKUNJQXXAUMU-RMUOZIPVSA-N 404.511 0.161 30 20 HCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)c1 1790226153 IKEDZKAIESXECL-JDFRZJQESA-N 413.409 0.167 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CCC(O)CC3)[C@H]2C1 1791404106 APNDBDLXEHCCKH-MZKQBLRXSA-N 419.522 0.376 30 20 HCED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792426328 SZKDOHMAKGANOW-XEMDLRDOSA-N 414.462 0.436 30 20 HCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793568424 HSOXWJAEVFZTPM-VIQHNZTISA-N 413.478 0.271 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1793818910 HJGGJNJHVJLNDO-FVCICTRLSA-N 409.468 0.300 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnc1 1793937721 UXASZYFKVLCFTE-OAFZBRQQSA-N 404.467 0.851 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(O)n1 1794764582 VMJDKTAMFJXCDB-VPTLXERWSA-N 422.441 0.941 30 20 HCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N 1795420072 XJFZVSSYKZHSBW-JNNRSPCRSA-N 416.453 0.837 30 20 HCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1795584759 PJPQJUHZRBVKBF-KYHPRHEASA-N 422.526 0.232 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796308238 VAVNJSAYEOMVDQ-GWCDLVAZSA-N 422.551 0.176 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1797707675 TVYULQTYGJAZGG-QKPAOTATSA-N 418.494 0.163 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC(=O)NCC 1798379685 XCJCXFLNUXOEFE-KTILCMFKSA-N 405.499 0.191 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cccnn2n1 1798418593 XCCPQKQKGVSREZ-CWPLJXCYSA-N 413.478 0.915 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3ncccn3)C4)c2c1 1799883599 PHDXPNOEJBESFW-XOIINTDNSA-N 417.429 0.742 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204553 HZYISXHIBXPSOC-YVWYUNDQSA-N 420.466 0.133 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 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CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)[nH]n1 1815240880 WOMOAGYDMNLHSB-FFSVYQOJSA-N 410.544 0.949 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCOCC2)n[nH]1 1817148539 ZORVEVVWUSBWLI-RDJZCZTQSA-N 403.483 0.772 30 20 HCED O=C(Cn1cnnn1)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817615184 MZHKOESYGPBORE-OMPOGXFXSA-N 411.426 0.801 30 20 HCED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)CC2 1826051567 GZLJRZLUNRCJCN-MRVPVSSYSA-N 400.424 0.071 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(F)nc4F)CCO3)C2)CC1 1829528328 KAEGUAJAOAYDFK-LJQANCHMSA-N 406.389 0.734 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccccc4C(N)=O)C3)C2)C1 1829670748 IZWYKHDSRIAITC-JOCHJYFZSA-N 413.474 0.822 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1831209001 FTFXGCGGLFWKJN-FQEVSTJZSA-N 419.865 0.924 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C2)C1 1831401967 KRGSDLHVNPVIDD-NONVJHHQSA-N 402.850 0.406 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1832285923 MGZVHCLSLMOQKO-MJGOQNOKSA-N 415.556 0.266 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(N(C)C)c3)CCO2)C1 1833365766 FGBIJNPEQVCPPA-AUUYWEPGSA-N 408.524 0.536 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccn(C)n3)CC2)CC1 1833463291 FCIMRLDBCDMWAS-MRXNPFEDSA-N 401.511 0.644 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1coc(C)n1)CCO2 1834210946 GSNSSYLGXUQUQA-HXUWFJFHSA-N 421.450 0.562 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834211537 PPNXYLPQONSAOY-AUUYWEPGSA-N 408.455 0.854 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834765488 HDZCDQXNRKCXES-HXUWFJFHSA-N 400.410 0.610 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836994367 MLCMVXFXZAOZDS-NRFANRHFSA-N 415.446 0.664 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C3\C(=O)Nc4ccccc43)CCO2)C1 1837327144 JPIWWIKHHWLAOI-ZLKNRPIFSA-N 423.469 0.892 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837395285 WEPXESAXZOWHRW-LAUBAEHRSA-N 403.479 0.725 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1837402245 FWYBWPDRQSJGHH-KGVIQGDOSA-N 424.538 0.833 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1838210085 BPLUMFGGTMWFQI-OAQYLSRUSA-N 418.494 0.838 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839173294 ILKVKZORPKUQSK-NRFANRHFSA-N 404.463 0.366 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839620714 RCGIYVGTTVOZTH-YJYMSZOUSA-N 422.482 0.862 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(-c4cccnc4)n3)C2)C1 1839808572 TZNADKLEDKDBHR-FQEVSTJZSA-N 412.471 0.908 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)CC=C)CCO2 1839886436 BBENIELLHXQQDV-QAPCUYQASA-N 400.422 0.693 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1839890241 QEDAXPGYVAYFHG-QGZVFWFLSA-N 403.426 0.180 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1)C(F)(F)F 1839893078 LINZQVSNKLJRJQ-WBMJQRKESA-N 422.404 0.008 30 20 HCED Cc1cc(F)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043723 QBHKFSSFYUPSSV-HXUWFJFHSA-N 404.394 0.292 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CC(C)=O)CCO2 1840131961 VKQWMTGOUGISPL-VFNWGFHPSA-N 424.494 0.567 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840159940 RQGFMTZKAWEEDT-ORAYPTAESA-N 404.492 0.951 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1840293671 OPEWSLCUUIXGEX-UWJYYQICSA-N 422.526 0.344 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1840843057 RKAPKMRMDWMVGI-DYESRHJHSA-N 400.479 0.752 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1841055335 VCMHLEBNKHJJOJ-FCLXQVKYSA-N 414.506 0.449 30 20 HCED CCCN(C(=O)Cn1cnc(C#N)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14143533 BPYTVXFQMDJBQM-UHFFFAOYSA-N 408.422 0.073 30 20 HCED CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 62525917 UWASJSAITCFRRD-CABCVRRESA-N 421.523 0.877 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)n1 409498305 DRUDXWDRXXUTAO-ZIAGYGMSSA-N 400.505 0.621 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC3(CC#N)CC3)c2)CC1 430379252 TTYIYWDEIZZGKC-UHFFFAOYSA-N 419.507 0.371 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 434551072 ZYDMWMIVFOQUGU-INIZCTEOSA-N 420.451 0.030 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)n1 439360157 OTVQCSDAVNRPOZ-INIZCTEOSA-N 402.499 1.162 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)C1=O 440252394 FDEYBVADTFCLGW-HNNXBMFYSA-N 402.451 0.757 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1 440384754 ACXBZCKJFSZGQP-SNVBAGLBSA-N 402.379 0.378 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C(F)(F)F)cc1 441823449 LTRDLNROJJNVHJ-CYBMUJFWSA-N 423.413 0.813 30 20 HCED Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1C#N 441871785 UBKPJRVCPQDUGI-AWEZNQCLSA-N 408.480 0.410 30 20 HCED Cn1ccc(N2CCC[C@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2=O)n1 442848576 ZMENFAKQWPDCQL-LBPRGKRZSA-N 404.408 0.674 30 20 HCED CC[C@@]1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 442885942 MYJZIYDSQBAVBR-FQEVSTJZSA-N 420.535 0.892 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 444369108 PWUGUFSBQVPKIL-UHFFFAOYSA-N 418.431 0.808 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cn1 446824974 HNNRCNKDKPPDTR-UHFFFAOYSA-N 407.352 0.754 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCc2ccncc2OCCN(C)C)CC1 461524592 XGMWZBPMIXMAEB-UHFFFAOYSA-N 404.515 0.151 30 20 HCED N#Cc1c(F)cccc1-n1ccc(=NC(=O)N=c2ccn(CCN3CCOCC3)[nH]2)[nH]1 470419469 NZLQZEDIPHZBCS-UHFFFAOYSA-N 424.440 0.900 30 20 HCED CC1(C)CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 471271100 AHEWNYZXMXXDCT-YADHBBJMSA-N 414.554 1.000 30 20 HCED N#Cc1c(CCCNC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)nn(-c2ccccc2)c1N 471460307 TXOOSIVJFOVWCN-PBHICJAKSA-N 411.466 0.591 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3ncnc3C2)cc1 473610317 ZANNWYKPDIBJLG-UHFFFAOYSA-N 404.452 0.066 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCCCC1 475579692 AFNDEDVTOCUXGL-UHFFFAOYSA-N 410.496 0.083 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](C(N)=O)Cc2ccccc21 481546309 RCCYCAOQBGJTQP-XJKSGUPXSA-N 412.471 0.916 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 499828585 AIVXQSHHOIHSNH-XHSDSOJGSA-N 401.463 0.323 30 20 HCED N#CCCN(Cc1cccnc1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 500068794 UYZCPNLANQEIKN-UHFFFAOYSA-N 415.431 0.579 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2=O)cc1 501182575 OMBBXZNAEMZJGW-INIZCTEOSA-N 420.491 0.293 30 20 HCED CCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccnn2C)c1=O 502013572 HOXYVSCYFUCFIZ-UHFFFAOYSA-N 409.519 0.923 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 503429708 FYMXZQNFVSHICU-JQWIXIFHSA-N 419.912 0.429 30 20 HCED C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 504416882 VNQPXMDLYTVGER-IIBYNOLFSA-N 408.414 0.864 30 20 HCED CC(C)C(=O)N[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 505339269 MINOCXYFICVAFD-INIZCTEOSA-N 406.508 0.942 30 20 HCED C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508797894 PSPDKDXAYJLXJM-UHFFFAOYSA-N 424.483 0.203 30 20 HCED CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1 511908118 UZCZURCSNWWRGK-UHFFFAOYSA-N 407.496 0.295 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 512254135 TUFPRJWTCHITKS-MAUKXSAKSA-N 421.519 0.863 30 20 HCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 524746872 AOBAWMZBXKHGSZ-UHFFFAOYSA-N 424.463 0.616 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCCSC 531131586 IFZMEPMPNXXPIW-UHFFFAOYSA-N 404.542 0.845 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1C 534195342 GNKRBKYNNOSAPU-MRXNPFEDSA-N 422.445 0.951 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 536040992 WKSOYOHGOPTVKA-UHFFFAOYSA-N 408.480 0.805 30 20 HCED COc1ccc(C[C@H](CO)CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1O 536967420 WNVQUUBYYQASMK-AWEZNQCLSA-N 415.450 0.956 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 537152583 FPKZLMQSPYNUJB-LBPRGKRZSA-N 415.479 0.493 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)OC 556546714 HAGSRZPSLDBELN-ZDUSSCGKSA-N 405.798 0.640 30 20 HCED C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 557215363 NCDDDJNAQKFCSK-CYBMUJFWSA-N 401.858 0.657 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)cc1 562233370 VGZHSQRHVISRKF-UHFFFAOYSA-N 416.419 0.471 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O 570360850 ASVAUMIVDOTPCZ-HOTGVXAUSA-N 418.881 0.807 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C1=O 571216232 DRJGMYIAWPXAFL-CQSZACIVSA-N 411.480 0.227 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 571801447 MUXVRMCTPQBNGV-LFVTVUPYSA-N 403.483 0.436 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)n1 581095717 AGDAABYWKQLQPF-OAHLLOKOSA-N 409.450 1.155 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(Cc3cn4ccccc4c3C#N)CC2)CC1 603662088 HFJPXRSNBARJCK-UHFFFAOYSA-N 402.524 0.421 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)s2)c1=O 603793111 KGPLAHMRAZKKOP-UHFFFAOYSA-N 401.513 0.828 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 603890801 UYQHTMGSJJSIKB-OAHLLOKOSA-N 423.491 0.488 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cn1C 609185898 WRZNMANRCDKYMM-UHFFFAOYSA-N 417.491 0.949 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)NC3CCN(CC#N)CC3)cc2[N+](=O)[O-])CC1 609330019 ZJRGNYHPYNGTCP-UHFFFAOYSA-N 414.466 0.981 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 609342101 NIYDHWZXVQLQQL-UHFFFAOYSA-N 419.507 0.536 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(C#N)cc1F 610782241 KKOOXLABNCTWKR-NSHDSACASA-N 404.423 0.779 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN([C@H]3CCOC3)CC2)CC1 611431480 RTTPSWWNEGAVKC-LEWJYISDSA-N 415.513 0.941 30 20 HCED N#CCc1cccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 619483134 RWDNDVWKSFWNDF-OAHLLOKOSA-N 401.510 0.519 30 20 HCED O=C(NCC#CCNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 681339259 MKXUDJBNPITKIC-BGYRXZFFSA-N 408.410 0.902 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1=O 726044001 XUKOXGVARYMONC-UHFFFAOYSA-N 404.335 0.362 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 728536117 JZDZXYACPICXQT-HXUWFJFHSA-N 409.490 0.109 30 20 HCED Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N(CCC#N)CCN1CCOCC1 733142749 SBPNGIHWIFFLBP-UHFFFAOYSA-N 414.510 0.886 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN2C(=O)CNC2=O)c1 733624335 JAYSPXMXFWMBFQ-STZFKDTASA-N 422.467 0.173 30 20 HCED CN(C(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C#N 738674304 QMMRPGRXTWJJIL-UHFFFAOYSA-N 412.424 0.519 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 741343375 LPHKKSJCVMWLIH-CMTMBAJVSA-N 422.438 0.135 30 20 HCED C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(CNC(N)=O)cc1 744953483 XINWZSQGVSBGRA-GFCCVEGCSA-N 402.432 0.999 30 20 HCED CCCCNC(=O)NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745494673 AHKKLMDRCWMCID-LBPRGKRZSA-N 424.479 0.673 30 20 HCED NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746112648 SJWLMLGVNFATMU-SRIJWZPRSA-N 411.462 0.274 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)c1 749694493 HTPAVMZMRZUZGR-JJTVEENBSA-N 408.480 0.325 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccccc2OC(F)F)c1=O 758057500 GLWAKPSGYHXKER-UHFFFAOYSA-N 415.421 0.950 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C1 758643588 WDLYYCXMVFACIT-UONOGXRCSA-N 416.500 0.419 30 20 HCED C[C@H](CC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 761023980 JCWISWPGKJHKPP-TZMCWYRMSA-N 419.507 0.566 30 20 HCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C)cn2)c1=O 761837454 YCLDZOLZFMDQMK-UHFFFAOYSA-N 424.482 0.672 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)n2)c(=O)n1CCOC 763300604 JXJCMCPEFFHDRF-UHFFFAOYSA-N 414.487 0.155 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnn(CC(F)(F)F)c1 763812391 APZWDZLSNYKXHI-UHFFFAOYSA-N 401.370 0.800 30 20 HCED COC(=O)C[C@]1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 768546841 FFQABZKYYQWHBT-KZULUSFZSA-N 409.464 0.342 30 20 HCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCO1 769666702 GXVTYSRQELQGEF-UONOGXRCSA-N 423.491 0.732 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CCS(=O)(=O)C1 783478231 BKABLXCERGATMY-INIZCTEOSA-N 403.460 0.957 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)n(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 783480721 LPMTXJURDICZSL-MRXNPFEDSA-N 400.460 0.768 30 20 HCED COCC(=O)Nc1cccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)c1 787093653 MDEHOCNBSLRANZ-UHFFFAOYSA-N 410.434 0.383 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCCO)cc1 790986624 IVVNTMSCGKQFDZ-LTGZKZEYSA-N 410.496 0.717 30 20 HCED Cn1cc(S(=O)(=O)NN=C(C[C@H]2CCOC2)c2ccc(F)cc2)c(=O)n(C)c1=O 793035480 XEYBFQMGCLITTN-GFCCVEGCSA-N 424.454 0.332 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(N2CCOCC2)ccc1C)[C@H]1CCS(=O)(=O)C1 797537649 XMUKWHUNMJALFX-KRWDZBQOSA-N 419.503 0.419 30 20 HCED C[C@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 798799544 MYJLUXHIMAUPLD-JSGCOSHPSA-N 402.432 0.593 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2cc(O)cc(C#N)c2)CC1 811186610 RMRSXSPFTSUKGC-UHFFFAOYSA-N 402.451 0.480 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2cncc(C#N)c2)nc1 811677590 CYUFPAWHKIQRKK-UHFFFAOYSA-N 410.481 0.684 30 20 HCED 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SDFVQPQREDQZEG-UHFFFAOYSA-N 417.554 0.679 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(CC)n3)CCO2)C1 1838131245 BDDIVJCIBXBZEQ-FOIQADDNSA-N 407.467 0.898 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N3N=C(C)CC3=O)cc1)CCO2 1838993953 ZUFDVYLQJROONH-QFIPXVFZSA-N 424.457 0.502 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1839223778 ICBLHNJFHWLOLG-OXQOHEQNSA-N 421.498 0.599 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)n1 1839362507 XIEBNDRSXGGCMG-OAQYLSRUSA-N 424.461 0.265 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1839809269 JNLLSMFYBQPNCJ-LJQANCHMSA-N 403.391 0.312 30 20 HCED Cc1cccc(F)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044233 RMMBUAFQRPULEJ-FQEVSTJZSA-N 404.394 0.292 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840163135 DNOLURVMLYHFDO-AUUYWEPGSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840168529 SNFWGWQFXHHFLW-OAQYLSRUSA-N 400.479 0.703 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840173561 FDQUUAOPFDVBSU-OAQYLSRUSA-N 418.494 0.319 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1cccn1 1840440350 JLWMXTJCVGHTAV-CVDCTZTESA-N 422.485 0.952 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2)[C@H]1SC(=N)NC1=O 1843407909 ZPSPBSWIVDVJPC-GXFFZTMASA-N 400.464 0.506 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809747 RBWGZLQZQDINOR-LLVKDONJSA-N 412.475 0.706 30 20 HCED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)Cn3ccncc3=O)C2)c1 1845766227 FCVXOGRBRAEYKP-UHFFFAOYSA-N 405.458 0.951 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc2c1NC(=O)C2=O 1847262298 MYOHNNMEZMUIEA-KQLNYGGHSA-N 422.441 0.495 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1848064721 MPLAOIIYWYJGFR-IKGGRYGDSA-N 405.524 0.578 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409585716 QWBXCUZKPFTTLK-ZDUSSCGKSA-N 418.435 0.397 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CN(S(=O)(=O)CC)C2)c1 438888667 WHVOLCXOMZGVJD-UHFFFAOYSA-N 401.510 0.162 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]3[C@H](O)C(F)(F)F)n2)cc1 440130349 YLLSEQVAZZKAMR-KBPBESRZSA-N 422.367 1.051 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)c2ccccc2O1 442255597 FWBKQQQWJXSRLL-SFHVURJKSA-N 408.414 0.593 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 443874748 BOAAKQASDAHZNI-UHFFFAOYSA-N 401.510 0.539 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)cc1 445189800 HITWNGQBPKJDGV-LSDHHAIUSA-N 404.423 0.458 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 460389870 REVBTLXSHHGLRY-CQSZACIVSA-N 410.544 0.913 30 20 HCED CNC(=O)N[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 466929847 UKLHIUPYROHDEU-MSOLQXFVSA-N 402.474 0.538 30 20 HCED CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471708070 ZDUROIXMEMSZTE-UHFFFAOYSA-N 416.507 0.861 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)o1 472207146 PFYMLDPOIFYIMQ-UHFFFAOYSA-N 407.452 0.881 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC3CC3)CC2)cc1 473384010 AEJWYFMRZXCQPP-UHFFFAOYSA-N 420.535 0.986 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 475636196 AICXDWNFSKVAIE-UHFFFAOYSA-N 416.825 0.844 30 20 HCED Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 476423851 MJNGHNBVPHUUNM-UHFFFAOYSA-N 404.408 0.347 30 20 HCED CC#CCNC(=O)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 477387580 TYCFAUNKIQUEEX-GOSISDBHSA-N 421.519 0.601 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479309337 IJXVCPVMFJBYGL-HOCLYGCPSA-N 409.464 0.671 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 479820377 UDWMUSBLNUHNSS-RHSMWYFYSA-N 420.491 0.075 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 481236824 XDRADJDYHOOWOI-KDOFPFPSSA-N 412.471 0.925 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H](CO)[C@H]3CCOC3)n2)c(F)c1 485320776 KPEOBTNRHBDRNK-KBPBESRZSA-N 401.398 0.583 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1cnc(C#N)nc1 488783338 LJRKQWFDBBFUNC-UHFFFAOYSA-N 401.448 0.957 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 489606075 CFMNVFYSXZTCEV-UHFFFAOYSA-N 419.500 0.758 30 20 HCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 507083207 CUZWTTWRVCZUQH-HNNXBMFYSA-N 401.463 0.693 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 508461199 JQVDVKWGGFBTPO-QGZVFWFLSA-N 411.510 0.951 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 508997847 KZNCJDNKOYZCFX-OAHLLOKOSA-N 420.543 0.808 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1=O 510344172 VPEXMURYSXSFOI-PWSUYJOCSA-N 400.482 0.708 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)OCCO)cc1 511607815 BSCSMKNIMVQJKC-UHFFFAOYSA-N 413.496 0.335 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCCSC 514913775 MXKMZKKYBJEALL-UHFFFAOYSA-N 418.500 0.820 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCCO1 515330997 LZGJXAHOBYSHIR-FUHWJXTLSA-N 404.442 0.656 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 515548004 BLIRSGJBTALWED-BZSNNMDCSA-N 414.572 0.547 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1=O 523002661 ZTFWRKUEPVAPTI-INIZCTEOSA-N 400.435 0.153 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n(CCC#N)n1 532997026 TVPYNKKFHOQECZ-UHFFFAOYSA-N 412.410 0.696 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNC(=O)c3cccs3)n2)cc1 537011129 BONJJAFPPGVQRT-UHFFFAOYSA-N 423.458 0.744 30 20 HCED Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)nn1CCC#N 539719142 MECIQNDLBSSKNM-MRXNPFEDSA-N 411.466 0.830 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)NCCNS(=O)(=O)Cc1ccon1 541492921 OPBKDGMDZDAFIU-UHFFFAOYSA-N 423.451 0.813 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](c1cccs1)N(C)C 550378665 BCRGBSQLHGOXFT-CQSZACIVSA-N 403.512 0.735 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc21 551066244 MCMSMVWGQMYUQE-OAHLLOKOSA-N 420.429 0.762 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)C1=O 552936486 CPDINHIAGNCVQZ-LPHOPBHVSA-N 414.506 0.883 30 20 HCED C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)S1(=O)=O 558609594 HTKQMCCIWMJNCZ-JKIFEVAISA-N 404.492 0.876 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)C1=O 560622141 CRTTVVNVLQQQFL-UHFFFAOYSA-N 404.467 0.651 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 561703302 ACRGRFDASNGSRH-BZSNNMDCSA-N 414.462 0.480 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)CC1 561979019 PGLVRLBGRFAFKG-SFHVURJKSA-N 415.538 0.070 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 574213482 UZRIMRDJCZQHFD-BFYDXBDKSA-N 415.469 0.813 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)O1 580017853 FYQLHUHEJAECMF-HUUCEWRRSA-N 411.466 0.693 30 20 HCED COc1cc(CCNC(=O)CN(CC#N)S(=O)(=O)N(C)C)ccc1OC(F)F 581281356 UFOXHAMZPHYDNS-UHFFFAOYSA-N 420.438 0.587 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 581958781 PARQQSDWHBGISS-UHFFFAOYSA-N 407.430 0.956 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(N)=O 589159006 FJKWNRGFHJSQRC-UHFFFAOYSA-N 413.499 0.912 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 590284853 PNAMDHBZALYXPF-QGZVFWFLSA-N 409.450 0.616 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590909917 STEHLGFBQUILJN-UHFFFAOYSA-N 405.863 0.951 30 20 HCED CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 609340555 CHTGDUFJDVHQHN-UHFFFAOYSA-N 419.507 0.512 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 610776395 NWMYJYJHJANQDB-GOEBONIOSA-N 424.465 0.400 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 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30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 751205527 NOMVMQGYMWJJSI-UHFFFAOYSA-N 415.479 0.335 30 20 HCED COCC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 756383432 QUXBVDHMIORNEN-UHFFFAOYSA-N 423.491 0.607 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 761030354 VKDZHTJHXNFZOT-HOTGVXAUSA-N 408.524 0.346 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)[nH]c21 762310053 LLOUFDFFVPXORW-CQSZACIVSA-N 408.418 0.767 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 765425201 KWLGJDCXZZIKDB-UHFFFAOYSA-N 400.464 0.480 30 20 HCED C[C@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)N(C)CCC#N 767543595 GYSVIMNJMOJISD-HNNXBMFYSA-N 402.455 0.209 30 20 HCED C#C[C@@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)c(S(=O)(=O)N[C@H](C)C#C)c2)c1 770364114 IKFDPPAABGTWDV-HUUCEWRRSA-N 420.516 0.781 30 20 HCED C[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1Cc1ccccc1 771898348 XDHCXYJXWWKDOW-CQSZACIVSA-N 419.507 0.403 30 20 HCED 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20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 440380756 PBVNBBOOLFIDHE-UHFFFAOYSA-N 414.512 0.909 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)ccc1OC(F)(F)F 443288909 YYSFRAYALFOKOX-UHFFFAOYSA-N 400.313 0.058 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444503303 UFFAMKMJOACJST-UHFFFAOYSA-N 410.434 0.728 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)on2)c1 447509500 NCOQDKFMQIKJME-KRWDZBQOSA-N 409.446 0.876 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccnn3Cc3ccccn3)CC2)c1 448481377 LPPZNFQSOTWHCH-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460593078 QTFBCMRNARGXBH-CYBMUJFWSA-N 418.479 0.668 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COCC(=O)NCc1cccnc1 465122733 PZQKZFLKQCGOIE-OAHLLOKOSA-N 409.450 0.113 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)c3cn(CCO)c(=O)nc3O)ccc21 470849746 VZCCWAGEKLFYJU-UHFFFAOYSA-N 411.418 0.776 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 471116740 PWYVYVZFAKTFAZ-UHFFFAOYSA-N 420.407 0.323 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)c1C#N 472082743 JAOWBDXKYCUWDN-OALUTQOASA-N 415.542 0.810 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)nc1 472763408 AMGYTXVIOXPCJI-UHFFFAOYSA-N 407.413 0.829 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)cn1 473440733 KRVCCPCVELLMRC-CVEARBPZSA-N 400.416 0.658 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1C(=O)NC2(CCCC2)C1=O 476605348 VQIKYOHQBPQGMR-UHFFFAOYSA-N 407.408 0.609 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1 482068601 STKMEFLTRGOFJB-INIZCTEOSA-N 412.450 0.577 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCN1CCN(C)CC1 482146477 WMEWCCKZKQZSFL-MRXNPFEDSA-N 407.540 0.321 30 20 HCED CCn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1=O 484379277 BKKGWOIFODBBAT-AWEZNQCLSA-N 412.454 0.572 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1 484582830 JZHMDCQATFBABP-UHFFFAOYSA-N 408.524 0.998 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 484952836 XFYCUJWALFGTOZ-UHFFFAOYSA-N 401.444 0.888 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 486924597 DMQBPWCEDDSXPQ-LBPRGKRZSA-N 414.465 0.655 30 20 HCED CN1C(=O)NC2(CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)C1=O 488262690 YWVJPZCKYAJPPV-MRXNPFEDSA-N 424.461 0.385 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F 489100745 IQZBOALYCAUBFQ-UHFFFAOYSA-N 410.452 0.788 30 20 HCED CSc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1 489171530 OOUUZJOORSHCJA-CQSZACIVSA-N 415.540 0.967 30 20 HCED C=CCCCS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 489672472 LLLJWPMCSUYSSG-UHFFFAOYSA-N 402.494 0.716 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1F 489701196 ORZZVOMLBYXWOL-LLVKDONJSA-N 404.466 0.872 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 497365316 MSZSVKHAMGFFKX-LLVKDONJSA-N 414.450 0.675 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1Br 500187516 NZTJHJLGXGMSOV-NSHDSACASA-N 415.269 0.539 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1Br 500690394 SLDNLZMOEPUTME-CYBMUJFWSA-N 409.240 0.359 30 20 HCED Cc1cc(I)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508307034 RCWHBQMQRDNGRE-UHFFFAOYSA-N 424.202 0.818 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](CCCO)c3ccccc3)CC2)c1C#N 509155285 PYZIRTQDHFPLOJ-IBGZPJMESA-N 424.505 0.879 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 514654606 PZZWGYQNQRDSDS-UHFFFAOYSA-N 416.459 0.494 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 517035745 OFSVBVZOCWVFNE-CHWSQXEVSA-N 405.546 0.478 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 521860207 CLCXBUCKBZLELI-AWEZNQCLSA-N 413.409 0.759 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccco3)c2=O)cn1 522381929 GGGAIYDEFRTWHY-UHFFFAOYSA-N 411.487 0.984 30 20 HCED C[C@@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 532469623 UBCPCXYQFFZKBQ-AWEZNQCLSA-N 400.464 0.682 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 541352735 FXDXSMPFIWYDMM-UHFFFAOYSA-N 409.402 0.781 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 550101400 IKFWZNRMYMGLTP-UHFFFAOYSA-N 407.478 0.883 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 559566546 PQKJXUWJNYENSZ-RBUKOAKNSA-N 415.490 0.873 30 20 HCED C[C@@H](c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1)n1cnc(C#N)n1 561863893 UBTQURULBGDLNC-LBPRGKRZSA-N 415.435 0.830 30 20 HCED Cn1nc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C1CC1 564559865 ZUHBUHHCXWAIOJ-MRXNPFEDSA-N 406.446 1.419 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 568120224 RMIDDBCYENHKGX-AEFFLSMTSA-N 401.511 0.547 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2n[nH]c(C3CC3)c2C#N)c1 588767516 OJINBIVPLRSVPG-UHFFFAOYSA-N 418.479 0.990 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC(O)CC2)cc1 606997560 TYECJBITAYROLP-UHFFFAOYSA-N 403.483 0.896 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)CC1 609194971 VIZLFCKQZNOMCX-UHFFFAOYSA-N 413.522 0.634 30 20 HCED COc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1[C@@]1(C)NC(=O)NC1=O 609334624 YMHOSEMKGMTYGM-GOSISDBHSA-N 421.479 0.016 30 20 HCED Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1S(=O)(=O)NCC#N 609413298 WTPYUDCZTICRTM-OAHLLOKOSA-N 422.532 0.838 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)C1 609665371 LNSGNQHLGLOFPN-SFHVURJKSA-N 419.551 0.731 30 20 HCED Cc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 611135172 CFIRSZJWIJKXPE-UHFFFAOYSA-N 400.464 0.873 30 20 HCED NS(=O)(=O)c1ccc(C/N=C2\S[C@H](CC(=O)NC3CC3)C(=O)N2C2CC2)cc1 726404409 XJRIGKIVZFYSCL-MEUCICPISA-N 422.532 0.965 30 20 HCED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(CC#N)CC#N)c1 726943399 HCVTUGJDMPRLRH-UHFFFAOYSA-N 415.269 0.863 30 20 HCED O=c1c(C=NN=c2nc3[nH][nH]cc-3c(O)n2)c(N2CCCCC2)nc2ccccn12 731155238 VBLBQCCAETUVGF-UHFFFAOYSA-N 405.422 0.876 30 20 HCED CC(=O)CCc1ccc(O[C@H](C)C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732907902 GASMRQRZFHFSEW-CRAIPNDOSA-N 420.487 0.941 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1C 737148326 ACASFLKURPLXBY-UHFFFAOYSA-N 416.463 0.384 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCn3cncn3)CC2)ccc1F 740739064 UCGWNOCJFJPADB-UHFFFAOYSA-N 422.486 0.340 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 746499625 NDLICTFANNARDN-UHFFFAOYSA-N 407.522 0.107 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2cnnc2C1 746600680 YMAOGZYXPYSEBM-UHFFFAOYSA-N 402.480 0.919 30 20 HCED COCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 746909698 NCWMMSRYGKSHJE-UHFFFAOYSA-N 423.491 0.751 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)cn2)CC1 747279269 UQVZILQDQPKQIQ-UHFFFAOYSA-N 415.313 0.290 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)CCn2cc(S(N)(=O)=O)cn2)C1=O 751655958 DQHFHIJQHFIIDO-GFCCVEGCSA-N 409.449 0.202 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)c1 757263017 XXKOAWIMFZKOKX-INIZCTEOSA-N 412.450 0.907 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2OC)c1=O 758051213 XONFFKULHYAYTD-UHFFFAOYSA-N 409.467 0.342 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 758079503 LSPNVHRVLBAUFV-GFCCVEGCSA-N 412.496 0.130 30 20 HCED C#CCOCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 762714631 GYVPKKOEGAEOPT-UHFFFAOYSA-N 408.476 0.493 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)NCc1ccccc1 764843971 DLTAXMQSSXYPHQ-CQSZACIVSA-N 400.460 0.658 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)OC)CC1 767881116 LRKAKKVMEZTECB-MRXNPFEDSA-N 410.515 0.200 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C(N)=O)no1 769261943 VFLKSDQONSMTGU-AWEZNQCLSA-N 419.463 0.543 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769641549 PXEXYFQEHIMYJT-ACJLOTCBSA-N 406.464 0.823 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C#N 772482488 YQDXLBRLZKCQDW-ZCXUNETKSA-N 411.418 0.927 30 20 HCED COc1cccc([C@@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N(C)C)c1 774951622 WSCVOTLLFAGAPX-GOSISDBHSA-N 410.478 0.909 30 20 HCED C#C[C@H](N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 775794763 SOSNEOGILCAAOH-YSIASYRMSA-N 419.547 0.987 30 20 HCED C#C[C@@H](NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 775795100 LUCLEFVJWIVTGV-RTBURBONSA-N 421.519 0.094 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1 777025534 PMPQSNKRTLIIJY-HNNXBMFYSA-N 409.464 0.530 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 781964450 NLLZRUBDWZRRQX-UHFFFAOYSA-N 401.404 0.637 30 20 HCED COC(=O)COc1ccc(C=c2sc(=C(C#N)C#N)n(CCSC)c2=O)cc1 782250730 XVTDNPQSTVUSQT-UHFFFAOYSA-N 415.496 0.851 30 20 HCED CCN1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 784212739 CJJIYOLIVSYOPJ-CABCVRRESA-N 422.507 0.321 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)[nH]1 786069608 KIUVNZSGNZZSNH-UHFFFAOYSA-N 416.459 0.717 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 788215050 YVHDZRMETBNXCC-LJQANCHMSA-N 422.459 0.973 30 20 HCED Cn1cc(C(=O)Oc2ccc(C#N)cc2I)c(=O)n(C)c1=O 798583380 IWUYAXGKRSMXLT-UHFFFAOYSA-N 411.155 0.779 30 20 HCED C#C[C@@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 799047426 ZANQVJFXKZBMDZ-CABCVRRESA-N 423.491 0.144 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1=O 809246457 RJUVCQVUFMZMKG-OAGGEKHMSA-N 422.526 0.993 30 20 HCED COc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 810348950 BHOAMVDLOMEDGK-QGZVFWFLSA-N 406.402 0.936 30 20 HCED CC#CCS(=O)(=O)NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 810776829 JYLBLWRKXYXKBR-ZDUSSCGKSA-N 401.485 0.362 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCO)Cc2cccnc2Cl)cc1 811484238 SFDBESFYJSWAJN-UHFFFAOYSA-N 408.867 0.906 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 916520709 LGROLYGXQCOZQL-UHFFFAOYSA-N 401.515 0.951 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2OC)c1=O 917781742 UCCNQQCNIJNORL-UHFFFAOYSA-N 421.906 0.857 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 1163163120 PLKBBRPURFSVDV-CQSZACIVSA-N 402.270 0.604 30 20 HCED CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1302515965 PGMMQBHMZXQFFM-ZACQAIPSSA-N 417.514 0.315 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)cn1 1303333795 ZLGNCWWYZWJPDJ-UONOGXRCSA-N 402.398 0.825 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C1CC1)N(C)C 1303405468 VHDWYIZFALRXEL-QZTJIDSGSA-N 414.558 0.933 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3ccnc(C#N)c3)CC2)C[C@@H](C)O1 1311070802 YNVFVGODSLGISK-OKILXGFUSA-N 408.484 0.457 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)CCO1 1316540702 YVTWKGQYNIZCOQ-JQWIXIFHSA-N 404.381 0.734 30 20 HCED Cc1nc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)ccc1C#N 1318531235 QOLWNGVKEHBWRQ-UHFFFAOYSA-N 400.464 0.991 30 20 HCED COCCn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1=O 1319751265 JLJFOSIIMKXLLU-ZDUSSCGKSA-N 404.448 0.672 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)cc1 1321021486 WBIBGMKRZKNQHT-GOSISDBHSA-N 418.471 0.985 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)n1 1436179186 HZSZLTDXRMTDSA-JTQLQIEISA-N 414.900 0.834 30 20 HCED N#Cc1cn(CCC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(=O)nc1O 1469379397 YDGGURQGBZTLJD-NSHDSACASA-N 401.345 0.270 30 20 HCED CO[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1504051326 IOEQGUWNNJJBRK-COXVUDFISA-N 413.475 0.428 30 20 HCED COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504276625 WBYPLCBWYUTKNM-WBVHZDCISA-N 417.491 0.966 30 20 HCED COCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cn1 1555569978 JBMBWQGJQYCQEM-KSSFIOAISA-N 402.434 0.562 30 20 HCED N#C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CCN1C1CC1 1635638685 YTSSBWWYOSLQMA-ZHALLVOQSA-N 400.454 0.529 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1674296296 MVBYDDHFKFGOPJ-KBPBESRZSA-N 409.468 0.067 30 20 HCED C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1712713961 MCORJLCIINIJSL-HHHXNRCGSA-N 419.532 0.963 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CCO1 1712884937 WBLGUDRCYDJNLP-CVEARBPZSA-N 415.498 0.797 30 20 HCED C[C@H](CN1CCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1723871285 OYXODSJAXDNFSE-IAGOWNOFSA-N 401.515 0.861 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)CCO1 1731189993 OGUGYTRZBVSCQK-CVEARBPZSA-N 409.450 0.987 30 20 HCED COC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)OC 1749325176 NVJWBXACLAPZBN-TZMCWYRMSA-N 400.505 0.290 30 20 HCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1762692900 PATCYMGIUMITQJ-OAHLLOKOSA-N 423.477 0.342 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1778967467 GOTOZKCRVOOVDN-BEFAXECRSA-N 421.454 0.194 30 20 HCED Cn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062774 OKMDXJOXFUCGNZ-OAQYLSRUSA-N 400.479 0.562 30 20 HCED 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1839223614 AWOYGFRRHGSJBF-BEFAXECRSA-N 407.471 0.291 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413833 WXSWJDZSVKGTTL-LJQANCHMSA-N 418.406 0.674 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493881 VPTZXJYZYMIOPT-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)C1 1839807978 KXTIWKCBLWSKLP-HRAATJIYSA-N 421.494 0.333 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C3(COC)CC3)C2)C1)C(F)(F)F 1839891539 KMHIFMZLDAZNAI-QGZVFWFLSA-N 406.401 0.988 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1)C(F)(F)F 1839892279 DOPULHSQSRQIPG-QGZVFWFLSA-N 416.400 0.766 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840161489 QHCVKZDFQCWSHK-UGSOOPFHSA-N 405.480 0.118 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1840163088 CXNHDSSTXWBQIA-ORAYPTAESA-N 422.482 0.862 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840168520 RRWWYSGEVXHBAB-NRFANRHFSA-N 411.462 0.603 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840320714 XEAPOHBXJHYJAZ-JXFKEZNVSA-N 409.483 0.567 30 20 HCED C[C@H](Cc1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840473355 VOEFHGKUGKTCEV-QRWLVFNGSA-N 404.419 0.003 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840490916 OFVPDQXVYWPZBE-FOIQADDNSA-N 401.467 0.513 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840576637 BIJJEHMAYMFRGL-QMPWQUHFSA-N 424.567 0.810 30 20 HCED COc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813319 SDZUAWAYQZUVJL-NRFANRHFSA-N 414.462 0.854 30 20 HCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)ccn1 1840814482 LTZUQVTUKCSVCY-OAQYLSRUSA-N 414.462 0.854 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1844237001 UEAWYVFTLJRZPU-AVGNSLFASA-N 408.524 0.565 30 20 HCED O=C(COC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301143 WSNISHQAXNNCLU-KLWSLPJISA-N 421.372 0.824 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844460404 GYWVEYLFPIPHDN-UHFFFAOYSA-N 421.413 0.942 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCC2)C1 1846973356 SLWJURDFDUJRAK-AWEZNQCLSA-N 406.483 0.769 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C 1847825656 BTVFWKASARIANV-XUXIUFHCSA-N 401.529 0.986 30 20 HCED Cn1c(Sc2c(C#N)c(=O)n(C)c(=O)n2C)nnc1[C@H]1COc2ccccc2O1 14287747 GZGOAYPFOONBSO-CYBMUJFWSA-N 412.431 0.748 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCc2c(C)nc(N3CCOCC3)nc2O)C1=O 410102752 DSBKMNWXOGECFW-INIZCTEOSA-N 403.483 0.505 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2cccc(Br)c2)CCO1 410401687 NPXQUVSNSWNSQV-ZFWWWQNUSA-N 418.313 0.659 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 427069448 KRCZTWFXEGCKOF-GFCCVEGCSA-N 411.447 0.968 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 430555346 IFAWAHXKATWYOJ-OIISXLGYSA-N 424.523 0.299 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 437027342 ZIENHMKTQVYOLP-YJBOKZPZSA-N 421.519 0.971 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)cc1 437863578 GSFSRCLBSVJUOS-UHFFFAOYSA-N 408.418 0.924 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O 438753277 IDDZDDJFUMLNNW-UHFFFAOYSA-N 413.478 0.968 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CN(S(=O)(=O)CC)C2)cc1 438916603 KGGYPNGIYMTRSP-UHFFFAOYSA-N 401.510 0.162 30 20 HCED CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C1 441851181 SMKQFGRADQPHPA-MSOLQXFVSA-N 413.478 0.542 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1 443825923 SMIJGYQRFIOLFD-LPHOPBHVSA-N 424.505 0.888 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCC(=O)NC1CCCCC1 460590554 ZFWIHUUOCWYSOT-UHFFFAOYSA-N 423.477 1.341 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 465484883 WOHNNQTZEHHVEG-GDBMZVCRSA-N 415.537 0.599 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NC)C2)cc1 478823852 BQBIBOMIFDGBTM-CQSZACIVSA-N 422.507 0.416 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1cccnc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 480611934 PIOBOIVBRXLHQE-QGZVFWFLSA-N 417.495 0.452 30 20 HCED CC(C)[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 481297986 AMEKMEFYUUWGOQ-GOSISDBHSA-N 420.535 0.748 30 20 HCED C=CCSc1ccccc1NC(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O 482046939 LMUZZGAFDXAOEM-ZDUSSCGKSA-N 403.464 0.930 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 488193060 MKJVENVRNXWAIK-MRXNPFEDSA-N 407.496 0.930 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 501590456 AVLWUUWXDDBPAU-LBPRGKRZSA-N 416.450 0.671 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)nn1CCC#N 505082891 YGXVRQUKTJZGCF-MRXNPFEDSA-N 424.461 0.840 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 508640141 SPMXFOAVFMSSNT-CQSZACIVSA-N 400.357 0.885 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 510616834 RNHXXSCTFFUBEC-LLVKDONJSA-N 402.489 0.456 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N3CCOCC3)CC2)CC1 512414389 FCMCWDZPYIRMJS-LJQANCHMSA-N 405.543 0.250 30 20 HCED CC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 513075535 LSXUZCFHHCNSRK-QGZVFWFLSA-N 404.492 0.650 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 514644727 AYJYUEZFRSAVMO-UHFFFAOYSA-N 403.529 0.989 30 20 HCED Cc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1N1CCNC1=O 516375551 PDWULQNBPCSPRB-UHFFFAOYSA-N 424.465 0.731 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 521012607 OSABZMQSIRUWTM-UHFFFAOYSA-N 421.523 0.161 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 521076504 UYAPOGHLPQEOLY-NVXWUHKLSA-N 409.508 0.651 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CC#N)CC1 525288986 RRRQNWQCNXTATM-HNNXBMFYSA-N 414.528 0.893 30 20 HCED C=CCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 533387968 UKHSSUGVNDCSAP-SFHVURJKSA-N 405.520 0.870 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 540787869 XIXTZJMQUSOISZ-UHFFFAOYSA-N 407.430 0.641 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@]12CCCO2 544757166 KKYNQSLSRLRJQX-CBGDNZLLSA-N 424.461 0.979 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1=O 551007405 DVWYEVNNZUHAKR-SFHVURJKSA-N 412.490 0.671 30 20 HCED N#Cc1cncc(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)c1 554968107 KENOIEMLCNYXIR-UHFFFAOYSA-N 400.869 0.863 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 557757500 YCJNGEOMQKOCJY-MRXNPFEDSA-N 403.458 0.183 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)o1 557823557 IDUNBGOCGAHUPB-CQSZACIVSA-N 418.479 0.725 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 560051307 JDFCJPVVHPDEAG-UHFFFAOYSA-N 411.422 0.151 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@]4(CNC(=O)C4)C3)C2=O)cc1 567019392 FKCKMTASPVFLRG-VGSWGCGISA-N 423.473 0.299 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 574730543 XBGRVBGDZLVHOK-ROUUACIJSA-N 406.508 0.596 30 20 HCED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 577233144 GSMIRJLEADHJCX-MRXNPFEDSA-N 418.498 0.213 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OC 578064983 XKCIDPLLXGNGST-IAGOWNOFSA-N 410.492 0.955 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(-n2ccnc2)c1 580058189 GPKDZMFMIXBHMB-UHFFFAOYSA-N 406.450 0.757 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 585719011 DKBQGIYVULGSKI-UHFFFAOYSA-N 420.473 0.377 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccnn1C 589212591 MLAFTQARQYOTPG-AWEZNQCLSA-N 400.487 0.544 30 20 HCED CN(C[C@H](O)CNC(=O)COc1ccccc1C#N)C(=O)COc1ccccc1C#N 590564643 ALMCGBNKBALIEK-GOSISDBHSA-N 422.441 0.823 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 603468540 JNXNPBQZOAARHG-UHFFFAOYSA-N 402.432 0.414 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(F)c3)CC2)cc1 608887324 RUGTWPLPDVECEG-UHFFFAOYSA-N 410.452 0.788 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 609954055 QPYBEQPPYWOQBO-UHFFFAOYSA-N 407.434 0.142 30 20 HCED N#Cc1cnc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 610725359 YTEFCHBPSQMATC-UHFFFAOYSA-N 414.490 0.836 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)NC3CCN(CC#N)CC3)C2)cc1 613519759 YXAGYXJRONLCSQ-UHFFFAOYSA-N 407.496 0.355 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 615633647 ZPRQXHAAJVRFPV-QGZVFWFLSA-N 410.427 0.110 30 20 HCED N#Cc1c(CCCNC(=O)NCCC2CS(=O)(=O)C2)nn(-c2ccccc2)c1N 615732767 MKSJPLNSQNEVLN-UHFFFAOYSA-N 416.507 0.993 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C 618434429 ZMTRJAKXADXYPG-UHFFFAOYSA-N 401.463 0.865 30 20 HCED N#Cc1ccccc1CN1C(=O)CN(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)C1=O 726585479 XPTRKBJITWWTST-QGZVFWFLSA-N 402.476 0.931 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCn2c(=O)n(CCC)c3ccccc32)CC1 728532600 DKYJENIWGDTNON-UHFFFAOYSA-N 411.506 0.497 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732466639 QGNVQDSYRXSDRT-BCHHYXHLSA-N 407.471 0.086 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(n2cncn2)C1 732759435 PBWDEUNOFOTWIK-UHFFFAOYSA-N 402.480 0.961 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)cc1 747147329 YAOQWYSGGMYRBO-YTQUADARSA-N 405.520 0.922 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 749663650 LGBNGKSGBHGZRA-OAHLLOKOSA-N 417.437 0.874 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c(Br)s2)CC1 751245004 AEZXTSMGXNIRIG-UHFFFAOYSA-N 420.354 0.875 30 20 HCED CC(=O)N1CCCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 756224801 ISKGAEZEBDAVHN-MRXNPFEDSA-N 403.439 0.448 30 20 HCED CC(C)Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(C)n1 757296134 VDAMJVISDSYUAG-AWEZNQCLSA-N 410.482 0.956 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)CCO2)c1 762311057 YDEIAAJNPQFUQL-KRWDZBQOSA-N 414.443 0.744 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)c1 762539983 YWKZFNQJRCWINZ-UHFFFAOYSA-N 412.450 0.150 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 763368156 GNWCTWSMSOECHQ-UHFFFAOYSA-N 415.417 0.881 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnnn1-c1ccccc1 766343855 IGVAOUCKBBAOCA-ZDUSSCGKSA-N 412.431 0.944 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CO)CC2)c1 767853964 PBCABQVKQJTHNJ-CAPFRKAQSA-N 423.495 0.168 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 772535787 UFHBCNYFQZLZTI-UHFFFAOYSA-N 416.434 0.445 30 20 HCED COc1ncc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 773744210 PQZAMTHHKOUVJY-QPJJXVBHSA-N 413.459 0.903 30 20 HCED COc1ccc(C[C@@H](C)C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1OC 781454334 MTUMCAPIVHKQBA-HIFRSBDPSA-N 408.476 0.848 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 783425706 SMWYIGRZKCGDAD-INIZCTEOSA-N 415.494 0.928 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C)[C@H]1CCS(=O)(=O)C1 783476561 WXBANNQUBPPZFL-KRWDZBQOSA-N 419.503 0.419 30 20 HCED C[C@@H](OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)NC1(C#N)CCC1 787613176 SVSAWUHLDQOKHK-OAHLLOKOSA-N 410.430 0.552 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)cc1 789611793 YGNAMMMJUUCBOR-FBKSFYRLSA-N 422.507 0.715 30 20 HCED C[C@@H]1OCC[C@@]12CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 792542793 YKRDSTMUDBODDL-BIENJYKASA-N 407.492 0.910 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1=O 798546161 PJCDXLUKPOGGKM-IERDGZPVSA-N 414.462 0.708 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)C1=O 798546660 CYLWTIPMTCRVQH-MGPUTAFESA-N 402.426 0.838 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800044115 VHYXUUATFMZFFF-AWEZNQCLSA-N 400.526 0.347 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)n1 803542450 ZDYWVBMLKQIWLP-GOSISDBHSA-N 403.527 0.728 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)c2ccc(S(N)(=O)=O)c(N)c2)C1=O 803705185 UGCUAIUFAVTRDG-GFCCVEGCSA-N 406.445 0.812 30 20 HCED CCOC(=O)C(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 804384061 OMXBVNGKHOTUAL-HNNXBMFYSA-N 402.426 0.758 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncc(C(=O)OCC)s2)CC1)[C@H]1CCCO1 809309813 RKJUHCIULXPMLW-ZIAGYGMSSA-N 420.491 0.265 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 810779061 WWVGRQUYOVTRBO-UHFFFAOYSA-N 411.484 0.933 30 20 HCED COC(=O)C[C@@H]1COCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 813665022 DZGJEQOWLYZMEC-CHWSQXEVSA-N 409.464 0.294 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cnn(C)c1C 813956989 SDMJFYPXMXQYJS-UHFFFAOYSA-N 401.452 0.697 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 856434269 XPUAQZLTKBZKJS-DZGCQCFKSA-N 423.491 0.420 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 914667842 IWADBNKXSIUZED-UHFFFAOYSA-N 423.491 0.389 30 20 HCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(O)c(CN2CCOCC2)c1 915926720 XOXYBKUOWZFEHV-UHFFFAOYSA-N 421.567 0.745 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917780151 RHTUVYUTKXSUKU-UHFFFAOYSA-N 403.467 0.685 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(CO)CC2)c1 918409386 LVAPZNKIVISZJS-FXBPSFAMSA-N 422.507 0.669 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)c1 918760316 NVZMHANEGYLAOY-UHFFFAOYSA-N 411.443 0.577 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 919549044 IBEBCKITWVHIAR-ZDUSSCGKSA-N 410.434 0.562 30 20 HCED COCCOc1ncccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920749592 LPYHCGYBNQTDHE-UHFFFAOYSA-N 404.448 0.462 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1115817488 HAKDEMCACZZDRX-HNNXBMFYSA-N 406.508 0.540 30 20 HCED Cn1ccnc1[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CO 1163469601 RHVGDAKYEVERIT-INIZCTEOSA-N 419.507 0.725 30 20 HCED COc1ccc(C[C@@](C)(CO)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1303360988 JATQWRFRNZKFLF-FQEVSTJZSA-N 417.487 0.955 30 20 HCED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)CC1 1303944259 OTJCWGDSBDGXMG-UHFFFAOYSA-N 408.528 0.965 30 20 HCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1315065189 PIIINSHSQZPJAD-KRWDZBQOSA-N 409.516 0.193 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1316532872 XHIAUZGEXXWBGH-ROUUACIJSA-N 420.470 0.255 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)C1 1316533014 XXSQLXRUIUWANU-SFHVURJKSA-N 419.486 0.741 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1319552622 RMRWGVFPIZGXCK-AWEZNQCLSA-N 404.496 0.548 30 20 HCED Cc1nn(C)c(N2CCN(Cn3nc(CCC(N)=O)n(C)c3=S)CC2)c1C#N 1320657126 GTOHKKPLHWGTMK-UHFFFAOYSA-N 403.516 0.062 30 20 HCED CS(=O)(=O)CC[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 1321007840 OEFOCSLRWBXTNU-DXQAYGFFSA-N 405.476 0.848 30 20 HCED CNC(=O)[C@H](CCSC)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1324023813 FBYDXANPZRVQRW-GJZGRUSLSA-N 417.491 0.747 30 20 HCED COc1cc(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc(OC)c1OC 1342562132 XASYTEZLSAKASV-CYBMUJFWSA-N 410.448 0.221 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)Cn2cc(Br)cc(C#N)c2=O)CC1 1459131421 WPCCCXNNZWRHNU-UHFFFAOYSA-N 417.285 0.023 30 20 HCED COCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1504859105 SJRCVQXBAFGILI-SFHVURJKSA-N 424.509 0.824 30 20 HCED N#CCc1ccccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1561264146 NZUAGBQZLFLAGH-HNNXBMFYSA-N 401.510 0.519 30 20 HCED COc1ccc(F)cc1CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1624414166 TVRYDVHREOFGNP-UHFFFAOYSA-N 415.425 0.703 30 20 HCED COc1ncc(NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 1627438027 WDWUHACJPITGOP-UHFFFAOYSA-N 419.467 0.542 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC3(C#N)CCOCC3)CC2)c1 1647904888 YLOMNJHNIXULMH-UHFFFAOYSA-N 420.535 0.883 30 20 HCED CN(CCN(C)S(=O)(=O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1663561205 WUGRHPXVTUNBEF-UHFFFAOYSA-N 408.505 0.963 30 20 HCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1708176993 JIQIFNZMECVLJG-AWEZNQCLSA-N 404.496 0.933 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1751928469 OHQXHZCUUIYUIR-MRXNPFEDSA-N 401.496 0.615 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C(N)=O)CCOCC1 1751928526 RALMEAXODZPCDV-UHFFFAOYSA-N 410.482 0.462 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)C1 1761543303 SZNCUSGBTAVSSA-CXAGYDPISA-N 406.512 0.936 30 20 HCED CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C1CC1 1769536541 MBTBCSASRPYKEV-DXCKQFNASA-N 412.516 0.432 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778415063 LYBIHXVSSTURHF-IIBYNOLFSA-N 413.478 0.975 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778957666 SMQRWOOTCFJUEX-FOIQADDNSA-N 424.498 0.033 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015191 RAESRQWWGDQHTI-DZSVRRGNSA-N 407.515 0.203 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1779016449 VSELRMMWSDXWSQ-FUNKKEAFSA-N 402.455 0.097 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C3)C2)C1 1779069375 QFZITLLMKMIMIW-PXNSSMCTSA-N 408.451 0.277 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1779098740 KTFDNZGZZCTOHF-JWERDZHLSA-N 421.450 0.672 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccccc1 1779182888 FYMHOGIWFQIMRH-PGRDOPGGSA-N 411.506 0.497 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)NC1)C2 1779330068 UMQTWFCTEPJMHC-NRVIRDBHSA-N 421.538 0.600 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780104068 OZWCUHMUXZROET-MGPUTAFESA-N 404.467 0.630 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1780802549 GLFYOIKHGJHNLU-JXXFODFXSA-N 424.498 0.753 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781094833 YUFZCOQSGVGJBD-NPPFBWRTSA-N 422.570 0.025 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)c1ccccc1)C2 1782010855 ZCWDIMIQSKZKET-OZOXKJRCSA-N 400.431 0.322 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CCNC(=O)C3)C2)c1 1782270874 SEXNGJLJMIEDGX-LUQKVYGDSA-N 413.478 0.540 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnn1 1782765460 YIUWQJBDWCAZFB-BMNKPTRDSA-N 400.439 0.381 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1783056068 MCROJQJHEJBVKE-KJOVKWNASA-N 403.479 0.562 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1783194024 LHSXBJGUQURWKR-KRWDZBQOSA-N 410.377 0.830 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(N3CCCC3)ccn1)CCO2 1783561748 JNDGHUUHTJNWIA-OAQYLSRUSA-N 412.446 0.213 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)[S@@](=O)c1ccccc1 1783565197 KAXMOKAMXKPEIW-AGVFRZGISA-N 418.471 0.101 30 20 HCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783917150 ICJURBRMCYTEJB-QRWLVFNGSA-N 411.499 0.668 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784557610 ALBVBWYSJJJXEY-UWJYYQICSA-N 402.495 0.812 30 20 HCED COc1cncc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1785269257 UMALORJUTFAJSV-SZMVWBNQSA-N 415.446 0.091 30 20 HCED CC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786435283 YVDSCGLULZYDJZ-IQHHBFBMSA-N 409.483 0.864 30 20 HCED O=C(Cc1cnc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1787417323 AEWKWGVZPKVUHV-WDSOQIARSA-N 414.506 0.631 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncn3)C[C@@H]21 1788631651 ROEIEKUJBOLKCN-LNLFQRSKSA-N 412.490 0.769 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1789959650 UWKLEKOMEOBRCV-YXMSTPNBSA-N 407.475 0.015 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21)C(F)(F)F 1790881685 JAAPDXLQTIAIQW-JYJNAYRXSA-N 419.444 0.807 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)C2 1797710899 YJSLEHCOTSHMFZ-YXBKOPBNSA-N 416.522 0.677 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)[C@H]1CCC=CO1 1797718320 DTSQQJVTLGMCBV-XFMRKTPCSA-N 407.467 0.798 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](COC(C)=O)OC(C)=O 1798472777 BQJZKZYLZMZPMF-RPCVNMKUSA-N 410.467 0.711 30 20 HCED CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)ccn1 1798683844 PPYTWWBBPQZLCQ-XEMDLRDOSA-N 411.458 0.875 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@@H]3C=CCN3)C4)c2c1 1799882479 OXHQTGMKNOQLBQ-DACLVMHWSA-N 406.446 0.166 30 20 HCED C=CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)NC(=O)CS2 1800039179 KQNWTXYMGSKQFZ-FVCICTRLSA-N 402.476 0.905 30 20 HCED COc1ccc(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)c([N+](=O)[O-])c1 1800237340 NKLOUMYQZCOLHV-QDMKHBRRSA-N 415.402 0.872 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C4)c2c1 1800873807 SOIWIJFQXNETDQ-LOUJCGABSA-N 406.446 0.965 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]1c1cccnc1 1808275350 UNPFNMULYUOSOY-BBTUJRGHSA-N 422.489 0.324 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)CCc3nc(N)n[nH]3)[C@@H]2c2cccnc2)CC1 1810147042 HAWUKRJSTKCYSQ-PBHICJAKSA-N 408.466 0.724 30 20 HCED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)[C@@H]1c1cccnc1 1813045161 JQDVWOCOPUFRGI-SQGPQFPESA-N 400.479 0.954 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C2CC(=O)C2)[C@H]1c1cccnc1 1814081564 VIQAPYWYYNOIQG-WUDFEMJASA-N 410.474 0.925 30 20 HCED N#Cc1ccccc1OCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CN)[nH]n1 1823386404 QAPZMJKQRCETNS-GOEBONIOSA-N 411.466 0.638 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CC2 1825014311 HKNITRQABXLZRL-VHSXEESVSA-N 413.459 0.695 30 20 HCED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826807285 BZGCLZPIASHISW-OCCSQVGLSA-N 407.473 0.649 30 20 HCED COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1830227785 XDTVKWXFZGWGCT-FQEVSTJZSA-N 403.435 0.444 30 20 HCED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1830519114 MKHWGVHXNFNWMK-ONYHAXFOSA-N 422.503 0.714 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1830740063 UEXBPLGKXQNSGA-MGPUTAFESA-N 424.498 0.517 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cnn4ncccc34)C2)C1 1831216093 XJIMNRNWQTZSTI-OAQYLSRUSA-N 409.446 0.213 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(C)s3)C2)C1 1831391170 JFQQUUVVBGSEEA-DNVCBOLYSA-N 407.492 0.560 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1831413828 JTWJXNCBDUVLMF-OBFZPWGMSA-N 424.538 0.977 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831881406 OJGJYZXVGWJMSM-UZLBHIALSA-N 423.535 0.410 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832563083 BESNMZLRPZZLDY-OXJNMPFZSA-N 407.467 0.573 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832811132 IDSYLLYHRZGWME-DYESRHJHSA-N 420.510 0.372 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833147239 YNHJNQLENZMIEQ-HNNXBMFYSA-N 405.543 0.975 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833436656 RAMIAXXASKYFBA-NRFANRHFSA-N 416.478 0.749 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1833830475 ABJVOPXJJUTKHA-JOCHJYFZSA-N 422.441 0.304 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834072532 ZLYIYPFYYZHHOX-HNNXBMFYSA-N 402.499 0.039 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834395393 DDMSDNUBLYQNHZ-YWZLYKJASA-N 406.483 0.063 30 20 HCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1834520195 FCFVLSFSYQQTHJ-VXKWHMMOSA-N 424.545 0.333 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1834676087 TXRBZHOJGSFZEC-YJBOKZPZSA-N 407.559 0.363 30 20 HCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834761293 WHHDBLNYSUYUMI-OAQYLSRUSA-N 414.462 0.386 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834872665 OTOCDALOLLTBRY-GOSISDBHSA-N 418.542 0.423 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1835354478 YAUHBOLCHDZREA-OAQYLSRUSA-N 424.461 0.641 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1835361615 UJVFXXIREQZUPJ-LJQANCHMSA-N 405.407 0.177 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835644096 SQNQCDYIASFNOD-RDTXWAMCSA-N 414.528 0.051 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675320 NJYBMKARTTWHJQ-XGHQBKJUSA-N 424.542 0.132 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1837300998 IMJGZTJGXSRDMA-IERDGZPVSA-N 418.494 0.964 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cccnc4)C3)C2)c1 1838736231 RSJYNHNFWRGKCG-OAQYLSRUSA-N 409.446 0.594 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)c1 1838906422 IPECWUYCNPCAQL-OAQYLSRUSA-N 409.446 0.676 30 20 HCED CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043264 OICQXNHCQMOJMZ-JOCHJYFZSA-N 414.458 0.797 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840169041 GEVIFLIDAGDSKO-NRFANRHFSA-N 417.510 0.907 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550787 QOUHNAZVGUWQFX-MAUKXSAKSA-N 402.513 0.090 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)cc1 1840594967 BSROBKFEJITMPC-QFIPXVFZSA-N 413.474 0.933 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840834380 IWAOJHVIGCBRRR-OAQYLSRUSA-N 415.421 0.746 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875236 HUDCGLVWDWFVCU-SFRQHRMHSA-N 422.526 0.341 30 20 HCED COCCn1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)n1 1843514898 MMZJQLKEDAOFIF-KGENOOAVSA-N 402.499 0.818 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c([N+](=O)[O-])c1 1846196493 GVIHLNMMIIVVIX-UHFFFAOYSA-N 401.375 0.437 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1=O 10855205 FXVSRXFCWKXKMJ-UHFFFAOYSA-N 402.407 0.244 30 20 HCED CCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Oc2ccccc2C#N)c(=O)[nH]c1=O 29764011 OBPMOKVLCDZYKR-ZDUSSCGKSA-N 415.450 0.847 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 31238289 OMBIKQWKZRDDCG-UHFFFAOYSA-N 418.479 0.964 30 20 HCED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)C1=O 410311138 SOPGNJCWIVWRKV-INIZCTEOSA-N 409.508 0.797 30 20 HCED CCn1cccc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1=O 435313848 COSHTPATUXXKTQ-UHFFFAOYSA-N 408.393 1.320 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1C(F)(F)F 437350261 WLQPGBQCBVZRKY-LLVKDONJSA-N 404.370 0.795 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc(S(C)(=O)=O)c1 441946321 IMCOUTVUCWZYOQ-NSHDSACASA-N 407.448 0.966 30 20 HCED C[C@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ncn(C)n1 444743759 MOBSVPAKNYQUGK-ZDUSSCGKSA-N 410.438 0.934 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCC#N)Cc2cccnc2)c2ccccc2O1 446451728 SRMYPNBMNAKBIR-GOSISDBHSA-N 407.430 0.864 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)S(C)(=O)=O 469503193 KPRGENXZMALUHK-ZIAGYGMSSA-N 413.521 0.460 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)cc1 473377246 QXQICYNWVHUXQG-UHFFFAOYSA-N 405.476 0.777 30 20 HCED N#Cc1cccc(OCCCN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 477767017 OVUKNCKXZRRFJK-GOSISDBHSA-N 420.535 0.248 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(-c2ccsc2)c1=O 479395505 OFRBJEFTUIMRRN-LBPRGKRZSA-N 412.496 0.803 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)NCC1CC1 481213566 ZIVRWZIIKNVDGB-WBMJQRKESA-N 422.532 0.653 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482179943 NRNLLHKLKOPOHS-IAGOWNOFSA-N 421.567 0.615 30 20 HCED CN([C@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 490121416 VNHJEGIRFZPOHN-NSHDSACASA-N 422.326 0.975 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 497221357 OBPPNDJWAGEPIQ-AWEZNQCLSA-N 411.505 0.686 30 20 HCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CC1 502046232 SAFJTYMNBSCOBB-UHFFFAOYSA-N 415.519 0.413 30 20 HCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccnc3c(C(N)=O)cnn23)cc1 502962786 WIHWBWYIQQUTKE-HNNXBMFYSA-N 421.442 0.854 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)nn1CCC#N 505011841 ATLQGZASCAGXLM-NSHDSACASA-N 400.361 0.713 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)n(C)c1=O 505923589 WFFWXLAIRUIISR-LBPRGKRZSA-N 420.351 0.834 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1C[C@@H](C)O[C@H](C)C1 506908731 NFNHQNLRLFSYGQ-CHWSQXEVSA-N 406.468 0.331 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3nccc(OC)n3)CC2)CC1 512710497 UEZIKNNHQWMVBA-UHFFFAOYSA-N 402.499 0.148 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1 516519565 VVEAYQGIIKEBRY-UHFFFAOYSA-N 402.358 0.263 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 517993399 BJOLHRGMQLDMGY-GFCCVEGCSA-N 422.488 0.772 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N4CCCC4=O)CC3)CC2)o1 533425362 BSRISYRZYWIKMU-UHFFFAOYSA-N 400.483 0.590 30 20 HCED Cc1nc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 537640117 AJJKYRDZFBDDQT-UHFFFAOYSA-N 402.480 0.744 30 20 HCED Cc1cc(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nn1CCC#N 538618186 VTJZGJIVRNCAAM-UHFFFAOYSA-N 420.499 0.814 30 20 HCED Cc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1S(=O)(=O)NCC#N 539356953 QZDVMIDTUPEJCH-UHFFFAOYSA-N 415.479 0.679 30 20 HCED C[C@H]1[C@@H](C)N(C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540052849 LEONWBAWZQEGLX-SJORKVTESA-N 419.551 0.416 30 20 HCED Cc1cn2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)ccc2n1 540305465 QMCOTQTVXPPBJG-AWEZNQCLSA-N 404.434 0.980 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 540961963 LUHFMXXZQKTTLO-JKSUJKDBSA-N 405.480 0.387 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 551370222 GMJPZHJPCCFCOU-IIDMSEBBSA-N 421.505 1.575 30 20 HCED C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551883874 WKAQZEUXULQXCR-KFWWJZLASA-N 403.531 0.737 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)[C@H]3COc4ccccc43)CC2)c1C#N 558391123 IQESVLNUHUWJEI-RDTXWAMCSA-N 422.489 0.930 30 20 HCED Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N(C)C)cc1 560307068 NVQOSMFFFMRSBK-GOSISDBHSA-N 411.510 0.982 30 20 HCED Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 579405691 LHQJHWOQBMIGNS-HNNXBMFYSA-N 411.462 0.380 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)n1 582982490 UFXKRAZDYXOQSY-UHFFFAOYSA-N 416.526 1.409 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1 588126225 FADVWMFPSZGDAM-UHFFFAOYSA-N 419.913 0.897 30 20 HCED COC(=O)C[C@@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 589077445 QQQQSEGKDGJYSH-CVEARBPZSA-N 414.418 0.554 30 20 HCED CC(C)[C@@H](C#N)N1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 609486905 UCGHKZJWPGQJBF-VQIMIIECSA-N 421.567 0.547 30 20 HCED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 611359276 BLXLFAGEAPHVPU-UHFFFAOYSA-N 411.466 0.771 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NC)cc1 682292424 NSUCLIZBCQLROU-INIZCTEOSA-N 424.523 0.709 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccc(C#N)cc2)cn1C 726642280 YZPZKKSJCPGYMU-UHFFFAOYSA-N 419.463 0.128 30 20 HCED CN1CCC(N2CC[C@H](N(C)C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732564098 OWXATOLFPCTGNF-INIZCTEOSA-N 419.551 0.352 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCCC2)c1 735590110 BLHYJYCABQVVMV-XLNRJJMWSA-N 421.523 0.650 30 20 HCED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 740848229 OYTAUHMIRZMJKN-QWHCGFSZSA-N 413.521 0.587 30 20 HCED C[C@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741097435 DNWNPKVWDSRIAD-LHKXHVCISA-N 424.523 0.961 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 741141000 YUXSEXVFUCGNIO-NRFANRHFSA-N 412.534 0.561 30 20 HCED C#CCCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 742788232 GQAAVQYWSCGIOR-HKBKRHGFSA-N 412.533 0.910 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 744601494 PKUPVDMAVWALFS-MRXNPFEDSA-N 416.459 0.684 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccsc2)c1=O 758069457 YVVYEBSACVAGLV-UHFFFAOYSA-N 412.540 0.272 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C#Cc2ccc3c(c2)OCO3)CC1 761219271 IHAINOIKJSYBBJ-AWEZNQCLSA-N 402.403 0.999 30 20 HCED C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1ccccc1C#N 762391975 MDNWJSPEOVGVAS-LBPRGKRZSA-N 400.416 0.926 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NCc2cccc(C#N)c2)c1 764030415 PUEWOGFJIFDGDD-UHFFFAOYSA-N 420.447 0.284 30 20 HCED C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@H]1CCCO1 775323525 JTPBXJXSDJBPKG-RTBURBONSA-N 419.503 0.450 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CCNS(=O)(=O)c3cccnc3)nc12 782700309 IQIHWXIFEVYCHH-UHFFFAOYSA-N 402.392 0.113 30 20 HCED COC[C@H](C#N)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 784933737 IQXSXPPLTYJTQD-CMPLNLGQSA-N 407.242 0.170 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)cn1 786911983 KAXAVLJOUQUUJN-UHFFFAOYSA-N 407.477 0.112 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796202417 OJCLYYRDJOCPNX-CVEARBPZSA-N 415.560 0.950 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 805092650 QZVLLHUGTIEKPK-UHFFFAOYSA-N 421.504 0.372 30 20 HCED COC1CCN(C(C)(C)CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 805157743 UMRNGEQDXUVUTG-UHFFFAOYSA-N 402.499 0.487 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCCCC4)O3)CC2)n1 806694854 ITPQQEHNLIRECC-QGZVFWFLSA-N 413.478 0.794 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@H]1CCCO1 809304350 IMBDWDQDPLNZAE-ZWKOTPCHSA-N 416.453 0.205 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 809310539 JRBXFNLCQMRQNR-ZWKOTPCHSA-N 422.503 0.614 30 20 HCED CO[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C1CC1 815852123 IDBNVZFEJGYPQH-VBUUPXLYSA-N 422.507 0.979 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 815860573 RKOJBXZGIJNWBH-UHFFFAOYSA-N 413.522 0.394 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cncc(F)c2)CC1 819525335 AXYOSUCTEWBMHL-UHFFFAOYSA-N 403.439 0.608 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2F)c1=O 838176601 DLPMIKRVQMQHAJ-UHFFFAOYSA-N 403.479 0.971 30 20 HCED CNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 914556233 AAOWJZMYLAJJBX-HNNXBMFYSA-N 418.475 0.804 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)cc1 918281831 VXLCPHNOXXWMLM-UHFFFAOYSA-N 416.445 0.817 30 20 HCED N#Cc1cccnc1NCCNC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 920811274 ANPHAIWCLSLEDA-INIZCTEOSA-N 424.461 0.989 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCN(c2cnccn2)CC1 926012403 NHENQVPPSDQDII-UHFFFAOYSA-N 424.461 0.890 30 20 HCED COC(=O)[C@@H](Cc1ccccc1O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1148295636 SNGOMEXOKACRRD-CQSZACIVSA-N 417.443 0.331 30 20 HCED COCCN(C[C@@H](O)C(F)(F)F)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1164049000 RFXWRPAJWYHRPM-CQSZACIVSA-N 408.398 0.871 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCCc2ccc(C#N)cc2)c1 1300739512 RRVSYBBQLVFSIY-UHFFFAOYSA-N 421.500 0.599 30 20 HCED N#CC1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1303001378 XGGQVJATXVEHQF-LJQANCHMSA-N 416.507 0.553 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)C[C@@H](C)O1 1464129204 ZGELIVOVNLWCKJ-GPMSIDNRSA-N 410.540 0.959 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CCSC2)c1 1555988258 VIRYVUIVAPUHMX-SFHVURJKSA-N 419.532 0.920 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1 1635445251 XFBDLQCRQHELHZ-UHFFFAOYSA-N 405.889 0.337 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(F)c1 1666421804 KEWIMJQJXXBUII-UHFFFAOYSA-N 421.433 0.992 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1706075456 OFSGLAYNRDXPHX-RDBSUJKOSA-N 415.541 0.211 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccn(C)n1 1723934019 IMJMMPSQWXCAPV-BLLLJJGKSA-N 410.479 0.306 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1729071435 XBQOVFWEOQESFK-MOPGFXCFSA-N 417.558 0.838 30 20 HCED CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1751006016 PPNYZCRFROFWDM-MRXNPFEDSA-N 419.511 0.320 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829676 RHKUZZIWHOAAOM-YUSOBQLHSA-N 423.433 0.280 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]nc3ncccc23)C1 1777914396 VYDQDDJVEKSRCL-JLTOFOAXSA-N 411.418 0.173 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777977962 YCUIFSGLVGOJIF-LAUBAEHRSA-N 413.478 0.746 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779092831 UEPFBYSUCDJUAS-LAUBAEHRSA-N 409.527 0.459 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1779098741 KTFDNZGZZCTOHF-QJTFJEMBSA-N 421.450 0.672 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1779138032 NQETUICDJICMLS-XACCNFBGSA-N 413.434 0.397 30 20 HCED CN(C)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779421426 LGNVMJRUQHXWFC-PQQKSXJWSA-N 424.542 0.981 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1780251099 LHZIOHDFELEYQR-OAQYLSRUSA-N 407.430 0.593 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781393401 NMTIRDVCSNQVSN-MGPUTAFESA-N 410.515 0.780 30 20 HCED CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1781787222 FXYWVYIBMYHDOA-IASXPYAWSA-N 418.494 0.737 30 20 HCED C=C(C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1)C(F)(F)F 1783207622 AQPNNWDHAZHCSM-CVEARBPZSA-N 408.373 0.551 30 20 HCED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCNC3=N)C[C@@H]21 1783540231 VMOXSSAQTVIIBP-ULQDDVLXSA-N 405.543 0.798 30 20 HCED Cn1c(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc2ccccc21 1783556754 VOAFZZGXCMTQIE-QFIPXVFZSA-N 409.442 0.639 30 20 HCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2 1784195084 OUXBCDHUYZTBRW-QFBILLFUSA-N 413.540 0.338 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CC)NC(C)=O)C[C@@H]21 1784486942 UFBDMGVLOUGRKV-OKYOBFRVSA-N 409.527 0.864 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1784808684 MUBZKFSJQZPPAV-DYESRHJHSA-N 406.527 0.915 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(C)[nH]n3)C[C@@H]21 1788572813 KTYIIESXERJVGM-LEUOFYLZSA-N 404.511 0.813 30 20 HCED CC#CC[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(O)O)C[C@@H]21)c1ccccc1 1788705653 VXPHDHBWMHTZFN-VJANTYMQSA-N 400.475 0.474 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C)[C@H]2C1 1789036620 OBPCXZJDNGQIOS-ULQDDVLXSA-N 416.478 0.888 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344899 ZDYCZIRFGBJFOE-DYWXZXKOSA-N 416.482 0.187 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(CC)COC3)[C@H]2C1 1790738783 JFNUQTXAXUUKKB-ORIYOMJCSA-N 405.495 0.251 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1790875157 OEUCONIQARZNDA-QPSCCSFWSA-N 422.494 0.858 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C3)C1 1792440669 MWFOPSSGPRYTML-XKNKYKOPSA-N 406.508 0.345 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CN2C(=O)CSC2=S)C3)C1 1792443805 RVXVMGWMJMOLCB-YWVIFJGQSA-N 409.533 0.403 30 20 HCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2ccnn2)C3)cc1 1792562428 SPUJKJOTWIJFRS-RMFSNUHRSA-N 408.462 0.372 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792833635 GGUZOJZDMLFRKE-CWWINAKGSA-N 412.490 0.605 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc(-c3ccccc3)o1)C2 1793344345 LTHROGPQQPKYML-OWLYRPNTSA-N 424.457 0.978 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1793344642 QVGBXYMLMHPUNH-AJNCUMPASA-N 423.469 0.650 30 20 HCED Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793544477 HAMVPWCJAZQLDT-KTZVYDJMSA-N 402.499 0.403 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)O)C2 1793600159 WNNDHGAAHXRPAL-RBGFHDKUSA-N 411.499 0.426 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(O)nn1 1794906234 MEBAWOBYOJGGBG-YLLZBLQZSA-N 403.439 0.963 30 20 HCED CCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794944210 NZSBZNVATWUBOI-XOIINTDNSA-N 403.483 0.722 30 20 HCED CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)CCOC1 1795085844 LJPMQSSOGJBYMA-FKEXNYPISA-N 422.482 0.173 30 20 HCED O=C(Cn1cc(Cl)cn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1795760439 XQJZBRDFGLCGHR-IITUFWFWSA-N 422.917 0.598 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1ccc2nncn2c1 1797461959 WYYNUKLQLMXEJK-HATOLVCRSA-N 415.453 0.984 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655383 QRLBEOVHCCNQMB-FMSGJZPZSA-N 423.388 0.482 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797655384 QRLBEOVHCCNQMB-NRWUCQMLSA-N 423.388 0.482 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1c1cccnc1 1802481679 LGUHVODZPQCXJZ-KVANESHQSA-N 422.489 0.993 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cnc[nH]2)[C@H]1c1cccnc1 1802484229 YWPBPQOXOMIELR-VPCYTDGVSA-N 408.462 0.983 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803564551 WRIIYPJABQNOND-IWCQGFGOSA-N 402.451 0.787 30 20 HCED Cn1nncc1C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1804743725 JXFOGYOZCATOOU-AEFFLSMTSA-N 424.509 0.812 30 20 HCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@@H](O)N3CCOCC3)[C@H]2c2cccnc2)CC1 1806852480 OKZSSCGGABWWQJ-OKZBNKHCSA-N 413.478 0.042 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812882259 KHWILOQJURZHCL-MDYRTPRTSA-N 409.446 0.708 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2CNC(=O)O2)n[nH]1 1815274234 ZEYCZQXGYMQHED-KFBXHMBNSA-N 416.438 0.369 30 20 HCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)sc2C1 1823036871 BKLNZAYJBNPKNG-NEPJUHHUSA-N 422.507 0.964 30 20 HCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)CC2 1826028347 VCFVEOHDXMGSIG-AUTRQRHGSA-N 403.551 0.951 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1830511079 YFFPRUNOWWCRRM-SIKLNZKXSA-N 415.490 0.718 30 20 HCED COC(=O)CSCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831664835 MWKWFMOHGQFUTR-HNNXBMFYSA-N 410.492 0.600 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3noc(C)n3)CC2)CC1 1833808768 AWYWBSXSKYOHIB-HNNXBMFYSA-N 417.510 0.530 30 20 HCED Cc1cnc(Cl)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1834557315 KFHOPCRJJUQAET-LJQANCHMSA-N 421.837 0.201 30 20 HCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1835029950 DGNLVWMZMJTROQ-JOCHJYFZSA-N 413.474 0.998 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC)cc3)CCO2)C1 1835602107 HGQVCKQPXSQZRK-HTAPYJJXSA-N 415.490 0.837 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1835717068 IZTPYUYUPAXSBP-QAPCUYQASA-N 408.543 0.266 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1837304435 DXGXQIWPIXCSDE-LLGFUMIMSA-N 422.526 0.658 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1837443984 OEUAVXJRSBVZNH-CCULFSDZSA-N 403.483 0.556 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838352582 NPOHPNNRUKVHHC-FQEVSTJZSA-N 402.451 0.359 30 20 HCED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838739363 RSOUMAGLCCQSJO-UTKZUKDTSA-N 415.494 0.298 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774012 HWQZMEFAGDFYPV-OAHLLOKOSA-N 416.478 0.839 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)n1ccnn1 1838908424 ZUDZJFNEYGUHOD-KKSFZXQISA-N 424.461 0.481 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4c3NC(=O)C4)CCO2)C1 1839574285 CETWTKGPIABQDT-ZUOKHONESA-N 419.503 0.570 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCc4sccc4C3)C2)C1 1839806651 BIGAGBQYWAVKDM-HXUWFJFHSA-N 403.504 0.196 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1840843406 OTDUWIWASUSKKQ-OAQYLSRUSA-N 402.447 0.884 30 20 HCED COc1nn(C)cc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1842348609 YHZBVNDCYJEAFS-OVEPSTSESA-N 405.455 0.775 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999254 VDXNMHRZNQRLAC-AWEZNQCLSA-N 416.482 0.635 30 20 HCED O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844313680 WQWWJEWBJAWHPC-UFWORHAWSA-N 400.395 0.707 30 20 HCED CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1846701316 DYWIIMGVECJJDL-UHFFFAOYSA-N 415.475 0.686 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](S)C(C)C 1847828013 JGAOTEPYUBOULS-VGWMRTNUSA-N 400.497 0.637 30 20 HCED Cc1oc(NC(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c(C#N)c1C 10203632 KKHINUKYQDSCRY-UHFFFAOYSA-N 416.415 0.989 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 409485719 LDZYVGXJJWYPOE-AEFFLSMTSA-N 409.556 0.591 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)N(CCC#N)CCOC)c1 410121734 XTWSLYRWISYWCK-ZDUSSCGKSA-N 404.514 0.352 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 438922293 MYIBPKYUNHMACN-UHFFFAOYSA-N 413.521 0.775 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)n1 439209359 CZHMPLJBPYFAJC-GOEBONIOSA-N 410.409 1.091 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N[C@H]3CNC(=O)C3)c2)c1 440541516 WRUICFKVBXICDP-GOSISDBHSA-N 405.410 0.816 30 20 HCED CN1CCN(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C 441006049 BHCDABVTONLGDK-LJQANCHMSA-N 412.538 0.984 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CCSC 443554422 VAUMIMXKCABJMX-UHFFFAOYSA-N 423.585 0.908 30 20 HCED CC1(C)NC(=O)N(Cc2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)C1=O 460833677 UPZYMGUWTKEMTL-UHFFFAOYSA-N 418.435 0.759 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 461473456 TWPZHFWONFJSFJ-CQSZACIVSA-N 412.537 0.734 30 20 HCED Cc1cccc(C[C@@H](CO)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 467321916 PXUPNRNMYYYNPA-SFHVURJKSA-N 418.457 1.414 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)c1C#N 471707370 VWNMQJUMCDSXDM-HZPDHXFCSA-N 412.494 0.814 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H]2CCCS2(=O)=O)c(C#N)cn1CCOC 481499655 DDQOQQUAFBLAGX-ZDUSSCGKSA-N 412.468 0.882 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486487953 MRXVZPSBKVIUFW-QGZVFWFLSA-N 421.523 0.630 30 20 HCED Cn1ncc2c(N3CCN(S(=O)(=O)c4ccc(C#N)c(F)c4)CC3)ncnc21 489080235 QTFQUWWMFGIUTE-UHFFFAOYSA-N 401.427 0.885 30 20 HCED COCCN(CC(=O)OC)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 496832206 QDRFPKWCAIXDPT-HNNXBMFYSA-N 402.407 0.411 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC3(C(N)=O)CC3)c2)c1 501064837 ZINNXBPEFRFNLH-UHFFFAOYSA-N 405.410 0.946 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)c3ccnc4c(C(N)=O)cnn34)CC2)cc1 502276730 HTUDZAJTWDJJLY-SFHVURJKSA-N 419.445 0.859 30 20 HCED CC(C)[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)N(C)Cc1nnc2n1CCC2 509236102 GDEITMCHNYABEY-XJKSGUPXSA-N 411.532 0.276 30 20 HCED C[C@@H](C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 510778453 NJDPGHLFNOGUAX-NSHDSACASA-N 422.326 0.997 30 20 HCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 516408678 HHODFJRQBGZOBB-UHFFFAOYSA-N 420.473 0.871 30 20 HCED CC(C)CC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 525064253 LZOOXKCQZSFMCK-UHFFFAOYSA-N 406.508 0.944 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 525847222 NFPABQGKLZTYND-UHFFFAOYSA-N 413.413 0.917 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1Cc1ccon1 531755299 CWKZKTWKWPBDCT-UHFFFAOYSA-N 420.372 0.612 30 20 HCED C=CCN(CC=C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 532918340 NZXAMBXTRPIVJJ-UHFFFAOYSA-N 421.519 0.965 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1=O 534976416 ZCAYXTDMAXNKOX-UHFFFAOYSA-N 401.854 0.416 30 20 HCED COCc1nn(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)o1 537430548 QFTJVMVOIMWWIJ-UHFFFAOYSA-N 414.378 0.451 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1=O 541877401 TXBXLNSUFCPUMU-UHFFFAOYSA-N 401.427 0.685 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1=O 544665125 BUIAQLDZGCWURV-INIZCTEOSA-N 405.476 0.721 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c1 548586069 AHHRXLLWHHKKPM-LLVKDONJSA-N 423.266 0.193 30 20 HCED CCCCN1CCOC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 554453447 ALBUHRBFSOAOOX-SFHVURJKSA-N 420.535 0.892 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(=O)O 554677648 JIPRTTHNZBYCFG-OAHLLOKOSA-N 402.494 0.862 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 554679483 ZPLCGSYVGKXIDG-QAPCUYQASA-N 407.540 0.677 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc(C(=O)OC)nn2)cc1 556530707 WEVPUWSBQJQFHI-UHFFFAOYSA-N 415.410 0.127 30 20 HCED CC(C)N1CCC(O)(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 571290233 LVNSAEZMBGTUER-UHFFFAOYSA-N 411.466 0.429 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(O[C@H]3CCOC3)CC2)n1 574164303 ORFAEMVYEJWZOL-HNNXBMFYSA-N 410.434 0.874 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 584137028 ZRCLGPGICDHPMX-FUHWJXTLSA-N 421.519 0.940 30 20 HCED COC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCCO1 587659469 OXWWHLMGOYQHGQ-IAGOWNOFSA-N 401.467 0.348 30 20 HCED N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 603641776 FAPPZJNXIYHLAO-UHFFFAOYSA-N 418.431 0.162 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608981674 NRYDXLQHTQPRJI-MRXNPFEDSA-N 407.496 0.784 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609128734 GNYLPUVRJULYOI-INIZCTEOSA-N 414.466 0.199 30 20 HCED N#Cc1cc(N2CCC[C@@H](C(N)=O)C2)cc(N2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] 609849802 WNEXQHRQINZRDV-CHWSQXEVSA-N 400.439 0.870 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cn2)cc1 609956333 XLEYUVKKGVPFQZ-UHFFFAOYSA-N 403.420 0.479 30 20 HCED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 612272087 QTKJUTJVVCTHHH-IBGZPJMESA-N 420.491 0.798 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C(=O)OC)ccc2C)C1=O 726043662 PGFPYJPBQHNSPM-UHFFFAOYSA-N 417.374 0.240 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 743202837 VVLCYQLFJVEGBD-UHFFFAOYSA-N 418.425 0.373 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC1 746187371 MPSOSFLXRCODSF-NDEPHWFRSA-N 404.488 0.944 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(C#N)cc([N+](=O)[O-])c1Cl)c(=O)n2C 746486431 QJIRCFYLLNHASM-UHFFFAOYSA-N 417.769 0.506 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CSc1ccc(S(N)(=O)=O)cc1 747284332 IQKUESXBPWAARI-JTQLQIEISA-N 401.466 0.370 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 747735407 SONQTXRREGMPHV-AWEZNQCLSA-N 407.492 0.350 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)C1=O 748558176 UYFNKYZTSMJQSR-LBPRGKRZSA-N 403.391 0.056 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OCC(F)F)cc1 748982245 VJAZXRNJAJSXFW-NXVVXOECSA-N 408.361 0.912 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)c2ccc(CN3CCOCC3)cc2)CC1 749793045 SFRXDDBGFSVLJR-INIZCTEOSA-N 417.510 0.235 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 751158398 OEAMXKBIDMTYLJ-ZDUSSCGKSA-N 408.455 0.727 30 20 HCED CCOC(=O)c1c(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)n[nH]c1C 751596766 ODXDRFOXSCEFRW-UHFFFAOYSA-N 415.435 0.878 30 20 HCED CCS(=O)(=O)NCCCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 753313344 QEIVLJBLQUZLMJ-UHFFFAOYSA-N 417.509 0.378 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(S(C)(=O)=O)CC2)C1 758759228 KTAQSWZTYUOXGZ-GXTWGEPZSA-N 400.501 0.964 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](CO)[C@@H](O)C1 763271853 NJBDIEOPSLVTOO-ZBFHGGJFSA-N 409.508 0.487 30 20 HCED COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763368707 KHOPTNUACBGPOC-INIZCTEOSA-N 406.402 0.936 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)[C@@H]1CCCO1 773058332 TYCZDBVAPQAJNE-DHSIGJKJSA-N 407.448 0.209 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCCN2CCCS2(=O)=O)ccc1F 773132617 VGSSELIPACTBSK-UHFFFAOYSA-N 406.457 0.482 30 20 HCED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 775006604 POLROBCOUTWNJJ-UHFFFAOYSA-N 413.478 0.944 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 775188506 AZSMNFMVGNRHSD-AEWZPABSSA-N 422.507 0.739 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 778455796 BIJPHKLNQXSYBP-JSGCOSHPSA-N 409.464 0.294 30 20 HCED CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 782809291 UBTHGHFAYHZZBS-UHFFFAOYSA-N 409.855 0.887 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NC1(C#N)CCCCC1 789109739 CVQIUCBPLMTOHN-GOSISDBHSA-N 420.466 0.488 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCS(=O)(=O)CC 800780774 IADVLXHYYBTACB-UHFFFAOYSA-N 402.484 0.978 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1)[C@H]1CCCO1 809308891 BSSAWMXVEHREKN-RTBURBONSA-N 413.474 0.206 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(c3ncccn3)CC2)c1 810133515 IKGNEUONDNAUSK-UHFFFAOYSA-N 400.464 0.412 30 20 HCED CC[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)OC 810485205 XWOCHFLOTPNXKF-IKBYJFNHSA-N 410.496 0.979 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 815860753 YXMPVTXMPDWDIB-UHFFFAOYSA-N 420.473 0.554 30 20 HCED C#CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 816672291 VPYPRNVXZUKPBB-CQSZACIVSA-N 406.508 0.740 30 20 HCED S=C(NCCN1CCOCC1)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 839389082 OADIQYVRUBTGNG-UHFFFAOYSA-N 416.507 0.978 30 20 HCED C[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1ccccc1C#N 844202486 LBOWZKKHYJYVHZ-NSHDSACASA-N 401.404 0.398 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)c1=O 916873111 OVFHUTXXQMVHGP-MRXNPFEDSA-N 414.462 0.823 30 20 HCED C=C(Br)CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1136479983 YTEIXHHRRHZLCG-UHFFFAOYSA-N 411.299 0.393 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1301967835 HRNZOGWVUPLYON-UKRRQHHQSA-N 422.515 0.173 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1314924043 RARDXWHJQFWRDZ-RTWAWAEBSA-N 409.494 0.585 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cn(CCC#N)nc1-c1ccncc1 1326721919 YAWCWIYQEMZLCE-KRWDZBQOSA-N 416.507 0.594 30 20 HCED Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1448514248 ZOHKZTVOUYRLAP-INIZCTEOSA-N 411.418 0.767 30 20 HCED CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1554205430 RJQSEEDJWNFVDO-UHFFFAOYSA-N 401.452 0.990 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 1559453187 RUERYNLYKAVDLM-UHFFFAOYSA-N 416.459 0.245 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCc3ccc(C#N)cc3)CC2)cn1C 1565064903 YEHWJDXRSOOJHX-UHFFFAOYSA-N 416.507 0.859 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593872635 JVOCFVMSZXPUON-NEPJUHHUSA-N 419.877 0.514 30 20 HCED COC(=O)c1cccn(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 1638203632 SSLKBGBXOZOACW-OCCSQVGLSA-N 404.423 0.510 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1696623048 KTJXDELXAJGDGI-CYBMUJFWSA-N 408.459 0.704 30 20 HCED CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1706517513 LEDKAVOFFUGCMN-ROUUACIJSA-N 414.514 0.764 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1729309723 ORWDEOYGEUEVFE-UHFFFAOYSA-N 416.507 0.918 30 20 HCED N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1750389485 ZTKHKPWIFLAPNH-MAUKXSAKSA-N 409.512 0.462 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760933106 BPOKJNJUJXJVFW-NVXWUHKLSA-N 421.571 0.860 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@H]1C 1771109533 UZRZNXZFHCCZDK-HNAYVOBHSA-N 406.487 0.420 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779283514 JNNKCCQVDDSJCV-SZNDQCEHSA-N 414.437 0.832 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1780102227 YHNQOGMLISFSGK-PIUNUONSSA-N 415.494 0.301 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780334838 MHAAJMYAAOBPLB-DJJJIMSYSA-N 402.455 0.037 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780360416 BYKIJVKNUPJVPT-BZNIZROVSA-N 417.388 0.858 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780601692 ORIKAVUMKKBAQF-RXBWTVHKSA-N 410.515 0.024 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1781264366 XKPIJEWJROVHGK-LJQANCHMSA-N 404.423 0.135 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1781399661 HDUDXWKVAASANG-MDASCCDHSA-N 413.471 0.233 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2ccnn2)C1 1781545118 BSEMPNLWVVFRRF-MIALQEHNSA-N 405.499 0.944 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1ccnn1 1782768110 ZVYZEMIICOJCEC-VBKZILBWSA-N 412.425 0.994 30 20 HCED O=C(O)CSCC(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783958416 KBKALZVESVTUOC-HRYJJRBTSA-N 412.512 0.106 30 20 HCED COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1784292054 KGDIYBUDPYRMTE-BQFCYCMXSA-N 417.462 0.536 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCOCCNC(=O)OC(C)(C)C)[C@H]2C1 1784340881 IDAKFGQJWAIYGD-ULQDDVLXSA-N 423.510 0.531 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1cncn1 1784474787 ZXQRPZDUDHMFHO-UWJYYQICSA-N 415.494 0.368 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 1784483715 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30 20 HCED CN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O 473564389 BLZGCKBLMPGSME-CQSZACIVSA-N 403.826 0.469 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 478850899 FRJIKKJVEDZCGV-CQSZACIVSA-N 401.492 0.022 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 479838827 UHRMPRKZBCQTIL-AWEZNQCLSA-N 416.459 0.803 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 481213560 ZIVRWZIIKNVDGB-BLLLJJGKSA-N 422.532 0.653 30 20 HCED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489229711 ZPPCYESHJVTFGD-HOTGVXAUSA-N 406.508 0.739 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 492108680 KAVAOZKPTGWQRC-UHFFFAOYSA-N 422.507 0.194 30 20 HCED Cc1ccc(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)cc1S(=O)(=O)NCC#N 499618634 NGPNXFWXMCSVSN-CYBMUJFWSA-N 413.521 0.835 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)c1 504469754 SHTMHUQMCSCEKJ-UHFFFAOYSA-N 407.430 0.331 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc3occc3c2)c1=O 505658867 GMOICIXUOHMCNW-OAHLLOKOSA-N 409.467 0.991 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 506730967 KBFQHXGFCJSWBM-CQSZACIVSA-N 408.480 0.778 30 20 HCED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@H](C(N)=O)C1 508809773 NCTOUNDSVPYKEZ-SFHVURJKSA-N 423.521 0.734 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 508814422 UPSITBQHADRFGK-UHFFFAOYSA-N 409.498 0.940 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(=O)(=O)CC)CC1 508935978 QCBWWUDGSUNFDH-UHFFFAOYSA-N 424.552 0.927 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(-c2ccc(C#N)cc2)n1 509004811 OLAIABJBKITGFF-UHFFFAOYSA-N 407.434 0.736 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 509634110 BOAXHGYADGHQAN-STQMWFEESA-N 406.555 0.827 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)n1 513509908 ZXTWTUAJJPWYSP-UHFFFAOYSA-N 410.369 0.091 30 20 HCED CC(C)(CNC(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)N1CCOCC1 513670736 AUAJLBOIMYCXPV-AOMKIAJQSA-N 411.506 0.559 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(CC4CC4)CC3)C2=O)cc1 516598250 VDXRPFUNNJVUFF-IBGZPJMESA-N 409.490 0.724 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 525846664 INPKNBDHXZKYNC-UHFFFAOYSA-N 401.467 0.449 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1C 534175658 DIXULIMJMCWYPA-UHFFFAOYSA-N 423.433 0.357 30 20 HCED CCOC(=O)CNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 538137742 GSSUJFLIYLHUJW-SFHVURJKSA-N 421.542 0.070 30 20 HCED COC(=O)CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C)C1 539379541 FZTQPQIZMVRKRD-HNNXBMFYSA-N 407.492 0.569 30 20 HCED COc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cccc1C(N)=O 543926214 JGUPIQHEGDHBCZ-LLVKDONJSA-N 402.432 0.971 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 550689985 YZABGPHSNUSDNW-UHFFFAOYSA-N 419.485 0.982 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 550692571 XJMINLSPCJKLDH-HNNXBMFYSA-N 403.458 0.183 30 20 HCED CN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 552968578 LYAUVGZUNKNENB-QGZVFWFLSA-N 404.492 0.648 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 554291819 IHZIVAIMGFDOJM-UHFFFAOYSA-N 408.466 0.066 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCSC1 559865184 FZRWJGGSVGVXTO-LJQANCHMSA-N 402.524 0.155 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C(F)(F)F 564476062 LGHLCMKKRCWLBC-NSHDSACASA-N 410.349 0.574 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC4(CCOCC4)C3)C2=O)cc1 581906454 ZEPIVWPWOHBLQL-GOSISDBHSA-N 410.474 0.804 30 20 HCED N#Cc1cncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 583537465 NBZOQVZWWDAFLX-UHFFFAOYSA-N 408.461 0.775 30 20 HCED CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 583600325 WPNRYFRZIAROEE-MRXNPFEDSA-N 400.487 0.751 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 588035777 XVFXHSCDHHMRBR-CDUMDVBJSA-N 408.418 0.409 30 20 HCED Cc1cn2c(n1)CN(C(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 588869140 CSLOYWHHLWEUHR-KRWDZBQOSA-N 406.446 0.323 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 604043130 OYDWGOIZNZNWRA-CYBMUJFWSA-N 422.550 0.301 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccncc3)c2=O)cn1 608884317 FBDSUYVRNOAGIO-UHFFFAOYSA-N 419.466 0.479 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 608911125 LJZRCLFZBQGVIB-UHFFFAOYSA-N 416.890 0.174 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1CC(N)=O 608911579 KDQXJIYBLULISH-UHFFFAOYSA-N 412.515 0.431 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCO[C@H](C#N)C2)CC1 609268931 JQZIEDOUIWTLOP-OAHLLOKOSA-N 421.475 0.625 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(CC#N)CC2)cc1 609331979 PCLQWAFADSRQLD-ZDUSSCGKSA-N 407.496 0.416 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2)nc1 609686728 AJZNCLUETJUOPM-UHFFFAOYSA-N 418.454 0.772 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669808473 BEPPVHIMESSAAL-UHFFFAOYSA-N 420.499 0.040 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2OC)CC1 673250160 MLXFKFKSOQLFBD-INIZCTEOSA-N 418.494 0.025 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nnc3n2CCOC3)cc1 682907370 ITSQTGOCCZYMAT-UHFFFAOYSA-N 406.468 0.937 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1=O 726042713 FLOBZVYLZZDQLZ-SNVBAGLBSA-N 404.335 0.442 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1 728536270 RAJUWJOHNLROGP-INIZCTEOSA-N 400.454 0.381 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 731101543 WVZUSSNPUYYKTJ-SECBINFHSA-N 412.786 0.922 30 20 HCED C#CCNC(=O)c1ccc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1 732920069 GGKSOOYIVBUEGW-UHFFFAOYSA-N 403.420 0.743 30 20 HCED C[C@H](CC(=O)N(CCN(C)C)CCN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742641206 CAXOBEQYSJIMPL-OAHLLOKOSA-N 409.556 0.456 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 743199299 CYTXSWRORFRMGW-UHFFFAOYSA-N 404.442 0.846 30 20 HCED C[C@@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)C 748410077 KXEOPVNVCHMAML-CYBMUJFWSA-N 409.464 0.514 30 20 HCED C[C@H](ON=Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749257571 KOAZLXRVNWKDIA-YJBOKZPZSA-N 409.508 0.908 30 20 HCED C[C@H](CC(=O)N1CCC2(CC1)CNC(=O)C2)/N=C1/NS(=O)(=O)c2ccccc21 752034948 XHHIMNJATVPAHX-CYBMUJFWSA-N 404.492 0.632 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C(=O)CSC3=O)C2=O)cc1 753113873 YBOWSPJUTGHRKA-AWEZNQCLSA-N 401.448 0.654 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cccn1 754387555 VIJKHXVOJGIBLV-LSDHHAIUSA-N 404.471 0.874 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 755551209 LEABIBZEUTYAQQ-JSGCOSHPSA-N 406.443 0.343 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 757151660 RYMGJVPLRAKYII-LLVKDONJSA-N 404.427 0.486 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(Cl)s2)c1=O 758055625 RUKWSXDTWSAPTG-LLVKDONJSA-N 421.931 0.912 30 20 HCED C[C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 758095516 XMJBVQVWAOFJJZ-SMDDNHRTSA-N 417.871 0.283 30 20 HCED CS(=O)(=O)N1CCc2c(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cccc21 758300519 FYPGCJRXKNEBQA-WUKNDPDISA-N 419.463 0.657 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758775005 IPPHMUYWYMSCRV-OWCLPIDISA-N 411.503 0.080 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1 761030005 CHIUHMUXKNZPOU-UHFFFAOYSA-N 407.496 0.037 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767887629 JZDMJGPOFDWUJP-UHFFFAOYSA-N 415.500 0.822 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(Cn3nc4ccccn4c3=O)no2)cc1 771279250 HLKLANLSCGZAKA-UHFFFAOYSA-N 410.415 0.506 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@@H]1O 774407589 XEWZKDNHNUITHX-KWSDNHACSA-N 408.480 0.277 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2cnccn2)C1=O 774584026 WOQRYFYMKPPGDE-OAHLLOKOSA-N 412.475 0.886 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(NC(=O)COC)cc2)c1 783464172 MHZPIXVXOUHJBN-UHFFFAOYSA-N 408.414 0.946 30 20 HCED COC[C@@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 785104686 WAQUEEIVLLFIKA-CQSZACIVSA-N 410.448 0.940 30 20 HCED CNC(=O)c1cc2cc(NC(=O)C(=O)NCCNc3ncccc3C#N)ccc2[nH]1 792330429 LEYMEPXURVWNNY-UHFFFAOYSA-N 405.418 0.961 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(c4nn[nH]n4)CC3)ccc2c1=O 798148368 YPLXTFLNQMLLOM-UHFFFAOYSA-N 413.463 0.508 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(C)(C)C 807534744 YAIPKSYECJKOMR-DZKIICNBSA-N 403.483 0.622 30 20 HCED CCN(CCS(C)(=O)=O)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 808173116 ACLNFWPCOBHZMO-MRXNPFEDSA-N 420.491 0.063 30 20 HCED COc1ccc(CCN2C[C@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)cc1OC 820476248 JSTRGSNWNDLENK-CABCVRRESA-N 405.451 0.591 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)n1 920604715 CMXXBJGGXDJKLZ-NSHDSACASA-N 415.431 0.374 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1C(=O)CCC1=O 1003115793 GNZRIGKBQKLIPG-MTSZKFMLSA-N 403.479 0.755 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074603442 JZKRBOCRTOTDEU-IZGRHMBUSA-N 404.507 0.861 30 20 HCED N#Cc1cn(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 1116839424 MQJRQTHZMIJQNQ-MRXNPFEDSA-N 414.487 0.204 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1136575321 ROHVXTBUBZDCJZ-SJORKVTESA-N 403.458 0.492 30 20 HCED N#CCCN(C(=O)CCC(=O)OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1322591241 XKGGPERJBINNTR-OAHLLOKOSA-N 421.475 0.560 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2C#N)cc1 1337513771 DWESFOBZDMZFII-UHFFFAOYSA-N 409.445 0.859 30 20 HCED N#Cc1cn(CC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)c(=O)nc1O 1444614831 NJITUTUOWOHUSI-CYBMUJFWSA-N 401.810 0.786 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)cs1 1463645752 UCJGFCOUUPUSHY-UHFFFAOYSA-N 404.539 0.782 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)C1 1510291073 JSFXTTCQSJQKOG-HNAYVOBHSA-N 420.539 0.836 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCc4ncncc4C3)CC2)cc1 1540728486 JGPMIEBFKIHUIU-MRXNPFEDSA-N 411.487 0.986 30 20 HCED COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2cccc(Br)c2C#N)C1 1622318665 YYJLUGLGJNKXTO-UWVGGRQHSA-N 403.254 0.865 30 20 HCED CN1CCn2c(CN(C)C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)nnc2C1=O 1638204650 WCBNMZBKMJILJZ-AWEZNQCLSA-N 407.434 0.247 30 20 HCED COc1cc(N2C[C@H](C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cc(OC)c1OC 1643610019 VQTNGFHPLONTBE-ZUOKHONESA-N 403.435 0.942 30 20 HCED COc1cc([C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)ccc1S(C)(=O)=O 1666779695 TZCPRLAXIBOWEE-DGCLKSJQSA-N 403.482 0.218 30 20 HCED CCN(CCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1695746896 YVGRJSRGJMCOLB-OAHLLOKOSA-N 419.511 0.740 30 20 HCED CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1766867767 QQPXZXAIUNZUCB-KGLIPLIRSA-N 411.532 0.497 30 20 HCED Cn1cncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101447 PJGSTOQXEJRABI-XQOBYBSRSA-N 405.455 0.393 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102404 HGYIFVPWIPRSTI-MKMCAPMPSA-N 419.482 0.999 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1781271378 PGDUEENAGQGICF-NRFANRHFSA-N 416.478 0.782 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782319361 UWLNFQAHYIDAEJ-XOWGOQOESA-N 414.510 0.745 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782661998 KBGHWSOWCXLUDT-UTKZUKDTSA-N 400.479 0.842 30 20 HCED Nc1nc2cc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)ccc2s1 1783563178 XWQLMXKCKOVGTC-LJQANCHMSA-N 414.443 0.410 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1783563364 PGZYKAQJLZWVMI-IBGZPJMESA-N 416.821 0.748 30 20 HCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)nc3cccnn13)CCO2 1784200613 VUFMMFPHYNWOGO-JOCHJYFZSA-N 423.473 0.727 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1784531842 OXSRLCRBDNFHLY-VPAKFMSCSA-N 420.579 0.886 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4cnn(C)c4)C3)C2)c1 1784576227 UCZIVMDIFWCQAT-JOCHJYFZSA-N 423.473 0.987 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1785381761 DUGZDBQKOUJSJB-HBCLNWRISA-N 411.458 0.659 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ncccn3)[C@H]2C1 1785420029 NGKSGPQJZGFFFB-ULQDDVLXSA-N 414.510 0.281 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1786560001 GOMJCICWENUTAQ-UFYCRDLUSA-N 409.486 0.640 30 20 HCED Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c2cccnc21 1788464836 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HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(C)c(OC)c3)C2)C1 1839811188 LQFDFGMQTYFDMG-OAQYLSRUSA-N 402.447 0.715 30 20 HCED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1F 1840157827 BLZSVUSZYPAEFB-XIKOKIGWSA-N 413.471 0.618 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4cnc[nH]4)CCO3)C2)c1 1840343431 GKOQHFNTWHTJSV-ZGTHZTNPSA-N 410.434 0.393 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820181 CXQYYWXFZFBAFO-QRWLVFNGSA-N 419.503 0.712 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3nnc(C)s3)C2)C1 1840840352 NKRLDLYKRCJYBP-LJQANCHMSA-N 406.508 0.649 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CNC(=O)N(C)C)C3)c(C#N)c1 1845138121 ROCVEVSFNMUHQT-UHFFFAOYSA-N 413.478 0.584 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 23827531 PZRFEUPEBCCQTP-UHFFFAOYSA-N 406.917 0.720 30 20 HCED COc1cc(CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc(OC)c1 410149965 YLVHLZKRTOYDDM-SFHVURJKSA-N 410.496 0.291 30 20 HCED N#Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nc1 428773911 SGPYRGQLRKYDOB-KRWDZBQOSA-N 409.446 0.984 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c1 437318481 ZPTMVCNXIZDUII-KRWDZBQOSA-N 409.508 0.764 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 439057882 PKUGSXFRXFDKNA-QGZVFWFLSA-N 419.507 0.634 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 440376155 QDSJPBJARNRSKZ-UHFFFAOYSA-N 412.471 0.583 30 20 HCED C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 443263657 NFXOLFJWDKIYPV-BONVTDFDSA-N 400.826 0.977 30 20 HCED N#Cc1nc(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)[nH]c1C#N 443752116 BQMLEAJTCBZPOH-OAHLLOKOSA-N 404.390 0.641 30 20 HCED C[S@@](=O)Cc1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446533463 VVBVLYRJWZKCTP-MUUNZHRXSA-N 406.508 0.578 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 446535387 LPDPJXYNVYLSIH-MRXNPFEDSA-N 423.491 0.203 30 20 HCED CNC(=O)[C@H](NC(=O)CNc1nn(-c2ccc(C#N)cn2)cc1C)c1ccccc1 460759152 PJKCXUCVUHBOPT-LJQANCHMSA-N 403.446 1.463 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 460936622 ZJRFSSRSGOKBNF-STQMWFEESA-N 405.546 0.478 30 20 HCED CNC(=O)[C@H](NC(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)c1ccccc1 475757984 IHTRBGUHQJUKCL-GOSISDBHSA-N 400.460 0.928 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)c1 476831241 ZQDBQHHIUJLGCI-UHFFFAOYSA-N 405.476 0.777 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 477673121 LKINEUVTPKJMTR-XZOAIXRZSA-N 416.459 0.972 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C(C)C)c1=O 478733832 QGEBGKUVRUGMNY-UHFFFAOYSA-N 415.519 0.459 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C 478847659 HVSNYFJYDXUWBO-UHFFFAOYSA-N 409.446 0.577 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 484588114 FXUTZYOMWCHQEL-UHFFFAOYSA-N 407.467 0.803 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487509121 DDIUYAIVITZMBP-SJORKVTESA-N 404.492 0.878 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 493939229 KQCRKACFFUWQHN-LBPRGKRZSA-N 413.463 0.665 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC1(OCCO)CCOCC1 506726492 NICDUQHEWSDKSG-UHFFFAOYSA-N 405.451 0.958 30 20 HCED CN(CC(=O)N1CCN(CC#N)CC1)S(=O)(=O)c1ccc(Br)cc1 508065206 VVRQAYIZXNULIN-UHFFFAOYSA-N 415.313 0.737 30 20 HCED COCCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 508572059 BLUXHETYIITUSK-UHFFFAOYSA-N 413.482 0.150 30 20 HCED COC(C)(C)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 531830568 QWUPWPYSJULWAA-UHFFFAOYSA-N 408.524 0.748 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3cccc(C#N)c3)C2)cc1 534742660 STVJDYUESYKIAO-UHFFFAOYSA-N 407.473 0.918 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)n1 544863941 JROHVOHEDRZSOJ-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)CC2)n1 554828676 VJWKRKNKEPXVIE-YWZLYKJASA-N 415.519 0.773 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2c(F)cccc2F)c1 564469408 SBBMBIXJZRQSSZ-UHFFFAOYSA-N 422.413 0.661 30 20 HCED Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CCC2 571360294 UVJIWKUFJHLXDZ-INIZCTEOSA-N 424.509 0.448 30 20 HCED CN(C)Cc1nc(C(C)(C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 578405240 WGPNVBJQPUCLTA-UHFFFAOYSA-N 406.468 0.333 30 20 HCED Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585774065 ZUKXEXAYIPLZNA-GFCCVEGCSA-N 411.466 0.992 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccccn3)c2=O)cn1 608884191 ARRLAVLHHYTULE-UHFFFAOYSA-N 421.482 0.725 30 20 HCED N#CCNC(=O)CSc1nc2ccsc2c(=O)n1CCCN1CCOCC1 609407011 VPOYLCRCOADIIF-UHFFFAOYSA-N 407.521 0.912 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 609710552 YGJAVCRDBIAKPN-KRWDZBQOSA-N 408.524 0.388 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)c1 609777765 IIRCQGYAMCPRIM-UHFFFAOYSA-N 404.430 0.526 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)NC1(C#N)CC1)c(=O)n2Cc1ccccc1 609989889 ZWVOIGDSJGNDEM-UHFFFAOYSA-N 422.445 0.227 30 20 HCED COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](O)C[C@@H](O)C2)cc1[N+](=O)[O-] 610669053 BKTXSQGWNFNRNH-OKILXGFUSA-N 415.406 0.948 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 677273958 AWVUDAVWSLZSPE-CYBMUJFWSA-N 410.496 0.403 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(N3CCCC3)CCOCC2)cc1 729439819 BCVRMDWRGWEXJY-UHFFFAOYSA-N 405.520 0.973 30 20 HCED Cn1cc(CN2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)cn1 729988683 LTAMTNIDBMBEBH-NRFANRHFSA-N 407.478 0.834 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2CC)CC1 731476839 KBGZGMBFEJIPSJ-UHFFFAOYSA-N 414.897 0.990 30 20 HCED C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 732467531 YZJZLXXSZRWYAQ-DUJORUNISA-N 405.499 0.796 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccsc2)c1=O 732663314 QSKDNPGPEGCJDX-UHFFFAOYSA-N 421.569 0.696 30 20 HCED N#C[C@@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)C(=O)N1CCS(=O)(=O)CC1 733053678 KNVYLWFWTRFZCF-ZDUSSCGKSA-N 410.883 0.915 30 20 HCED N#Cc1ccc([C@@H](OC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C(N)=O)cc1 734556397 PRBCLZCGTIIKNK-DLBZAZTESA-N 409.377 0.887 30 20 HCED O=C(CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)Nc1ccccc1 735842956 PWYXXPOCBCIXGW-MRCUWXFGSA-N 411.462 0.686 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 737168361 OFNNXUAKFLKFFS-UHFFFAOYSA-N 411.462 0.609 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCN(C3CCOCC3)C2=O)cc1 746900119 RXABAYSHPPGVBO-INIZCTEOSA-N 407.448 0.160 30 20 HCED CCNC(=O)C1(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCC1 754442390 IFMRHJQCIBGRFK-ZDUSSCGKSA-N 406.508 0.926 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@@H](C#N)C1 757899986 WVNWZWMSXNVTEG-AWEZNQCLSA-N 419.467 0.796 30 20 HCED Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761098439 RDZKERMODUZWIA-UHFFFAOYSA-N 400.414 0.744 30 20 HCED CS(=O)(=O)c1cc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)ccn1 761890304 JFPZBEWFEHIDGJ-UHFFFAOYSA-N 419.444 0.774 30 20 HCED CNS(=O)(=O)c1ccc(NCCOC)c(NCC(=O)N[C@](C)(C#N)C2CC2)c1 762375611 BVPBJYQAIGZMOJ-GOSISDBHSA-N 409.512 0.873 30 20 HCED Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccon2)c1=O 765145925 PQOMCVLBZXDGDL-UHFFFAOYSA-N 415.500 0.739 30 20 HCED C=CCCS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 765151480 JOHVMHBSFMBRCX-UHFFFAOYSA-N 406.438 0.900 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C 766050866 DWPCNBWBKKIWMW-UHFFFAOYSA-N 417.403 0.291 30 20 HCED CCOCCCN(C[C@@H](C)C(=O)O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 767002628 OSDVSMQKITYMSR-CYBMUJFWSA-N 411.480 0.701 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O 767680163 LJENBQYDQHOVQD-MLGOLLRUSA-N 417.447 0.307 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCN(CC(F)(F)F)C1=O 767680564 MNJGSFNDQVQHKO-GWCFXTLKSA-N 419.381 0.931 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1 771663602 QMJSOSAPZSYGIW-UHFFFAOYSA-N 406.552 0.744 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1 777277383 FXVWRYVMBPXPTL-MRXNPFEDSA-N 418.450 0.971 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)cn1 786912799 PPJTVYPMNBNLKZ-UHFFFAOYSA-N 412.431 0.819 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795837907 JZIWHJOXIADEIM-HNNXBMFYSA-N 405.329 0.173 30 20 HCED C[C@H](CC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 799034122 MKHLXAPUIPNWOV-BZPMIXESSA-N 406.464 0.461 30 20 HCED CCN(CCC#N)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800013592 CBIKBXLWRZQZAQ-UHFFFAOYSA-N 403.505 0.136 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](N1CCOCC1)C(F)(F)F 803598164 BENDRWIWLXXZJV-ZDUSSCGKSA-N 420.413 0.104 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc4c3OC(=O)C4)CC2)o1 803768019 WWJBTOSZJPEINA-UHFFFAOYSA-N 410.386 0.822 30 20 HCED C=CCOC[C@H]1NC(=O)N(c2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1=O 804201562 BQEYTBIACYVRKG-CQSZACIVSA-N 415.406 0.194 30 20 HCED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 806236122 OZIBOWUYSFXJEF-SFHVURJKSA-N 405.462 0.894 30 20 HCED Cc1ccc(N2CC[C@H](NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2=O)cc1 807587558 QMOORVMYELQSBI-KRWDZBQOSA-N 423.477 0.485 30 20 HCED CCc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1S(=O)(=O)N1CCOCC1 816758331 NBPKCRSFGXZSTQ-OAHLLOKOSA-N 411.480 0.380 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCOC 838175055 JTXITQRLTIRFPM-UHFFFAOYSA-N 401.488 0.594 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 856078148 LQODPGLIICCDAX-NSHDSACASA-N 402.856 0.559 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 913202904 DTXJAHHERQXQBF-QMTHXVAHSA-N 405.386 0.189 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N1C(=O)CCC1=O 916440810 UTHXIRKPLQKETD-PQXWDWFGSA-N 406.464 0.975 30 20 HCED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(Cl)c2)C(=O)C1=O 916939082 DYCUPMDFRYEVEH-GFCCVEGCSA-N 406.826 0.687 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2ccc(F)c(Br)c2)c(=O)nc1O 1192715691 SXWWVIQPBXVHCE-UHFFFAOYSA-N 417.216 0.701 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1301045632 VIHULVITXGJDSI-UONOGXRCSA-N 419.935 0.979 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN2CCCS2(=O)=O)CCO1 1316539985 RZRBMYXMULPNPR-LSDHHAIUSA-N 410.500 0.284 30 20 HCED COc1ncc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1C#N 1439474567 SXNYSBNVKLYAMO-UHFFFAOYSA-N 405.436 0.574 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1463867620 OEPGIJQCWVEAPD-CHWSQXEVSA-N 409.530 0.153 30 20 HCED CCOC(=O)c1csc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 1565612415 OLAMLFHRYLGMRQ-UHFFFAOYSA-N 408.461 0.786 30 20 HCED C=C(Cl)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1593933188 WLPATYBUNSSGQB-GOSISDBHSA-N 413.906 0.978 30 20 HCED CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 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KCAKTMFHGIWKPA-CABCVRRESA-N 411.499 0.667 30 20 HCED NC(=O)c1ncccc1C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282152 HHZDDCHTOYJGLD-UHFFFAOYSA-N 410.474 0.696 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)N1CCN(C)CC1 1845098879 NHDONGJZZBTEQC-KOWBDXASSA-N 401.511 0.538 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3c[nH]c(=O)cn3)C4)c2c1 1845582359 VMBMLMBBFVNCBT-UHFFFAOYSA-N 403.402 0.649 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1846120810 PNJQUYKMQZYXCI-OAHLLOKOSA-N 403.479 0.849 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOC)C1 1846247494 HAOUEIIWVOSYPM-WAYWQWQTSA-N 423.510 0.118 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccccc3)CC2)cc1 10453386 JUWHMRAHRDCYRL-UHFFFAOYSA-N 412.471 0.821 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 14099791 RHVFCCDVAPUBBU-UHFFFAOYSA-N 412.537 0.985 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCn2nc3n(c2=O)CCCC3)c1 56095184 AMBDIUGLVONNPQ-UHFFFAOYSA-N 419.507 0.666 30 20 HCED COCCN(C)CCOc1cccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 410126199 WPFSGSKODMUEKD-GOSISDBHSA-N 412.512 0.202 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)CCO1 410160637 VAPQSLYTVFWVGI-CYBMUJFWSA-N 416.862 0.706 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 427680823 ZKVWLTNOBDLYMK-CHWSQXEVSA-N 402.451 0.999 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2=O)cn1 428209302 RZPBGEKKLXUYDW-UHFFFAOYSA-N 418.360 0.707 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 428443619 ZLUDDPOZTYKRJD-UHFFFAOYSA-N 416.525 0.326 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CCC1 430975720 BQEFMEJGASGVNC-UHFFFAOYSA-N 415.519 0.414 30 20 HCED C[C@H](CC#N)N(C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 439324639 IWIJFAKWTLOITJ-RHSMWYFYSA-N 400.435 0.400 30 20 HCED CO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)C1 441358314 PKFUMODFNSLLKA-AEFFLSMTSA-N 420.535 0.890 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 442132750 UMDOWTKPDGTERS-YPMLDQLKSA-N 421.360 0.593 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 445613881 SGMFAFGQFPUNJP-INIZCTEOSA-N 412.494 1.491 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(C[C@H](O)CN2CCCC2)c1 462871189 BVVFIVCMLJQEBB-MRXNPFEDSA-N 412.450 0.797 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 471315686 GGEMFESXIPIJKG-CYBMUJFWSA-N 407.535 0.844 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c(F)c1 476214475 FEKVRHHFHADWTB-UHFFFAOYSA-N 419.475 0.720 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC(F)F)c1=O 480294392 UPSMMSFFLLXGDU-UHFFFAOYSA-N 421.425 0.410 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(C(=O)[C@H](C)O)CC2)c(C#N)cn1CCOC 481436981 CUYQXPOPCQGYDV-ZDUSSCGKSA-N 421.454 0.240 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCN(C)CC1 511110539 UWSVPOQJTRXZJP-MRXNPFEDSA-N 405.524 0.027 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n1 512363398 XGXHBIPSESRSRN-MRXNPFEDSA-N 408.466 0.714 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1C#N 530514600 VYEFKOJSOZVVFF-UHFFFAOYSA-N 416.463 0.442 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2c(C)cccc2C)c1=O 533579481 CWNLAICOSNJFGH-UHFFFAOYSA-N 407.499 0.981 30 20 HCED C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1cccc(S(N)(=O)=O)c1 536972717 MCVPNIPHXYCISY-NSHDSACASA-N 418.479 0.973 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@@H](C(N)=O)O1 537165777 WMCIHLRPMPYBMC-OLMNPRSZSA-N 403.458 0.109 30 20 HCED COc1cc([C@H](C#N)NC(=O)c2ccc(S(N)(=O)=O)nc2)cc(OC)c1OC 538417008 IFXWMJSAFCCIKD-LBPRGKRZSA-N 406.420 0.749 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@H](Cn4cncn4)C3)n2)c(F)c1 542071301 WWLAAXOPAZTQPW-AWEZNQCLSA-N 424.396 0.341 30 20 HCED CC(C)OC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 545327161 KKRJBRZFLCSMMG-KRWDZBQOSA-N 412.450 0.789 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)cc1 554470145 JJBKCOABYHMRDH-IBGZPJMESA-N 406.490 0.989 30 20 HCED COc1nccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 554918291 HWBKYRNOKGBTRK-UHFFFAOYSA-N 402.436 0.895 30 20 HCED CC(C)CCn1ccc(=NC(=O)C(=O)N=c2ncn(Cc3ccc(C#N)cc3)[nH]2)[nH]1 555302386 CLRKXIPLKYUSCT-UHFFFAOYSA-N 406.450 0.862 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 556626411 XPNMGJIEFHXQJR-UHFFFAOYSA-N 402.432 0.811 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 558419097 HRHOOBKCCMZZCR-OAHLLOKOSA-N 409.508 0.659 30 20 HCED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 558997102 GIVMHSXOTAUVKT-PKOBYXMFSA-N 418.542 0.933 30 20 HCED COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)nn1 560069485 IYFJIWABSLHOEZ-UHFFFAOYSA-N 403.342 0.934 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)o1 572198721 WFFOQBILBVFHSH-UHFFFAOYSA-N 410.433 0.073 30 20 HCED CC(C)CN1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCN2C1=O 572657002 QHHUOXUPQGVFED-INIZCTEOSA-N 419.507 0.441 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1 574611603 KDCBIEXVWMAAPB-UHFFFAOYSA-N 408.461 0.264 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 582053319 XJWLKALDDVYZKL-UHFFFAOYSA-N 402.470 0.420 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 584855608 METDJZJZTWBKGA-SECBINFHSA-N 408.299 0.633 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 588055996 OCHPVWPWFXILGP-OALUTQOASA-N 409.490 0.376 30 20 HCED N#Cc1cnn(-c2ccccc2NC(=O)CSCC(=O)N2CCOCC2)c1N 588837758 KUXQPVIBHHVPHN-UHFFFAOYSA-N 400.464 0.857 30 20 HCED N#CC1CN(C(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 590480865 CJKYJUFXMYFYSY-UHFFFAOYSA-N 404.448 0.751 30 20 HCED COCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@@H]1CCS(=O)(=O)C1 609155095 ILWDIBTTZYDYTB-MRXNPFEDSA-N 419.507 0.813 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cn1 613105486 XQUASGYEJPTIDT-DLBZAZTESA-N 409.450 0.135 30 20 HCED CCn1c(N)c(C(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(O)nc1=O 679537545 DUPHXPOKTRGMFQ-OAHLLOKOSA-N 414.441 0.755 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 727005437 CSLVSIBIHVQCHA-NSHDSACASA-N 411.465 0.191 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cn(C)c(C)n2)c1 727671357 WRVGHQVZKYBERA-UHFFFAOYSA-N 402.476 0.764 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCC(=O)NCC#N)CC1 731237343 GMDBAVSPYMIMGG-UHFFFAOYSA-N 423.447 0.057 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2OCc2noc(C)n2)CC1 733149575 LNPONTZLTANCAD-UHFFFAOYSA-N 411.462 0.854 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)NC[C@@H]3CCCO3)C2=O)cc1 733830031 DXKQURJNWKHDRC-JKSUJKDBSA-N 414.418 0.602 30 20 HCED CNS(=O)(=O)c1cc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC 734565259 NHONVFWWEISBES-MRXNPFEDSA-N 403.416 0.858 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)ccc1F 744623983 CPMQUVLJAVPBSN-KZULUSFZSA-N 424.454 0.398 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 761031496 SSMPKQPJBDFXJF-SFHVURJKSA-N 409.552 0.809 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCO2)c1 762300755 LQBSHFMSBROTQV-KSZLIROESA-N 417.487 0.494 30 20 HCED N#Cc1c2c(cn(CN3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)c1=O)CCC2 766632300 MDLYUIYEBLHPGP-MRXNPFEDSA-N 406.508 0.293 30 20 HCED CNS(=O)(=O)CCC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 767104979 QEBVCMSVTXRZDQ-UHFFFAOYSA-N 406.382 0.656 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccoc2)CC1 772572612 MCHRIAYBQBSXJT-UHFFFAOYSA-N 417.443 0.770 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 782904318 ACNSPNOLFAXTIJ-FUHWJXTLSA-N 420.487 0.832 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCC1(N2CCSCC2)CCCC1 787775985 HBLHNQWVCNYCPB-UHFFFAOYSA-N 416.551 0.959 30 20 HCED C[C@H](C#N)OCCOC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 801806317 FHRNXKPGLPOSID-KYOSRNDESA-N 402.856 0.936 30 20 HCED COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802360047 XZXFOCKCGJQZKZ-GOSISDBHSA-N 420.481 0.744 30 20 HCED CC(C)(CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)NC(=O)OC(C)(C)C 807664121 ADGKIALDZDEPOS-UHFFFAOYSA-N 404.471 0.901 30 20 HCED C#CCCS(=O)(=O)NC[C@H](O)COc1ccc(I)cc1 808294618 GLYFTTRIQOMQAV-LBPRGKRZSA-N 409.245 0.974 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCOC1(C#N)CCOCC1 809086364 KNEUDWQARKOCGV-AWEZNQCLSA-N 407.448 0.858 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 810783191 IEYZMYAGRNHHLJ-CQSZACIVSA-N 413.477 0.916 30 20 HCED Cn1cnn(CCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1=O 815895830 HWWTUUZCZKUSAV-UHFFFAOYSA-N 403.342 0.367 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCOCC2)CC1 819657244 AFUHVTNTBQSCLZ-HNNXBMFYSA-N 406.508 0.438 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C)c2)c1=O 837370498 SZKPAFQFPUETKE-UHFFFAOYSA-N 415.519 0.195 30 20 HCED CCc1ccc(C(=O)OCC(=O)NCCC#N)cc1S(=O)(=O)N1CCOCC1 914637769 ZFDORTFAEDRQBS-UHFFFAOYSA-N 409.464 0.457 30 20 HCED N#Cc1ccccc1/C=C\C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 919986275 FQQKCPVQYBZAIH-OSJSJHBBSA-N 423.516 0.233 30 20 HCED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1OC 942198667 JXYQNBUVRPPVKO-AEXBHSQCSA-N 403.479 0.681 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1299262520 NQUMFXDTXSSKFT-CQSZACIVSA-N 411.466 0.532 30 20 HCED N#Cc1cccnc1NCc1cccc(C(=O)NCCc2nnc3n2CCNC3=O)c1 1303610885 KPHQBZQFYYOQFF-UHFFFAOYSA-N 416.445 0.873 30 20 HCED C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O)N(C)C 1303696659 RNNPTDXWJRECIB-CQSZACIVSA-N 405.528 0.752 30 20 HCED Cn1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1314920656 PUEGHRYBXOROJY-DYVFJYSZSA-N 404.500 0.487 30 20 HCED COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1315969316 RHYYUNQPXYZAMW-LJQANCHMSA-N 419.507 0.839 30 20 HCED COCCN(CCCNC(=O)C1(C#N)CCOCC1)C(=O)C1(C#N)CCOCC1 1320479198 SIDLLJLMQXQRTJ-UHFFFAOYSA-N 406.483 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N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCOC2=O)C3)c1 1780174505 JQIYBWBSXULKON-OXQOHEQNSA-N 415.450 0.466 30 20 HCED COC(=O)C1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)CC1 1780181857 QLCJJOPXBYDITA-OXQOHEQNSA-N 414.462 0.967 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1781266978 IDMVRJQZEVVNAA-GOSISDBHSA-N 408.480 0.678 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1781400014 LCYVKKVXIZFHME-YOEHRIQHSA-N 403.501 0.052 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c(c1)OCO3)C2 1782010006 DTMGYCNJXKQKLV-DYESRHJHSA-N 414.414 0.631 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1782013495 OFKXMCLSYTYEFN-FZKQIMNGSA-N 404.379 0.138 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782566702 WAKHQWCNWLOWLK-JLTOFOAXSA-N 417.441 0.903 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1782670898 QZXGJRFIBQPCBR-YCRPNKLZSA-N 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YRPJYNYISNXJLY-WMLDXEAASA-N 417.491 1.334 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)n1 439817454 JXDPEXRZZARLIC-ZDUSSCGKSA-N 410.482 1.392 30 20 HCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1 441577822 TWUOSLJYYAEJTF-IBGZPJMESA-N 407.474 0.902 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 446447350 VUPPDHKFVGPKMW-UHFFFAOYSA-N 413.459 0.733 30 20 HCED C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 447781094 SDPMEHJUEVFAOP-GFCCVEGCSA-N 407.452 0.735 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462108721 MYBCXMPMMVNMEG-UHFFFAOYSA-N 424.465 0.650 30 20 HCED CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 464480384 ZWUJSRNMNZIIFM-UHFFFAOYSA-N 415.475 0.872 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)CC1 466190293 DGAWLZVDODJZAF-UHFFFAOYSA-N 424.502 0.017 30 20 HCED COCCNC(=O)CN1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 466606733 KBBFVIRJZKRCJE-UHFFFAOYSA-N 404.471 0.676 30 20 HCED Cc1csc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 473262627 MNPMWLJLOGTWSL-UHFFFAOYSA-N 419.488 0.795 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 474100467 XEIKBHJLXNWGAG-HUUCEWRRSA-N 424.461 0.759 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)C1 479895364 APSNDUADOPLEFR-GFCCVEGCSA-N 401.452 0.063 30 20 HCED COc1c(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(C)nn1C 480067074 JGFJYGDBZVJGOT-UHFFFAOYSA-N 414.441 0.713 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OC 481799469 WODLZWUJXBGBNB-MRXNPFEDSA-N 403.435 0.186 30 20 HCED CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 482154625 GDKMXKTTZVPSOC-QFBILLFUSA-N 421.567 0.613 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 485991852 RRVGOBUFQDSPEI-SFHVURJKSA-N 412.471 0.997 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(C)C 495967210 UXJOTURIKIBOQZ-FGTMMUONSA-N 411.568 0.837 30 20 HCED Cc1cnn(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508805005 FIILSTNBEQUQQF-UHFFFAOYSA-N 409.493 0.295 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c1 509390081 UNYYCQWZMYYTDP-HOCLYGCPSA-N 424.475 0.718 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 511919395 TZCYODXOSMSSNF-UHFFFAOYSA-N 405.461 0.486 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2CC)c1=O 512781212 NRXZNECNTSSEFK-HNNXBMFYSA-N 415.519 0.334 30 20 HCED Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)cn1 519039023 WCUIDRHWIIWLLN-CQSZACIVSA-N 404.434 0.902 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 519126154 RAVVXXXDUQMFMX-FPAYPSAMSA-N 409.446 0.154 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)C1=O 522995086 NMGOTCIQFZCCIR-INIZCTEOSA-N 418.425 0.292 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 523264243 IEMKMMSBNDTDOY-OAHLLOKOSA-N 410.521 0.559 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)s2)c1=O 531130731 SBEQPUOXSXBOKK-UHFFFAOYSA-N 416.528 0.907 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)c1C 534198748 ZVNWUGTUHRIGPZ-QGZVFWFLSA-N 407.434 0.883 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CCC(=O)N(C)CCC#N)CC1 534951942 QZNFZIFCFUTLOD-UHFFFAOYSA-N 423.495 0.972 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)CCC(=O)N(CCC#N)c2ccccc2)o[nH]1 537161162 ZFLJMGNXADOXEN-UHFFFAOYSA-N 405.436 0.702 30 20 HCED COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 538268129 BYTSGGBSPHXYAX-ROUUACIJSA-N 404.442 0.408 30 20 HCED COC(=O)C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 539369798 JAUBQKVRDPINSD-OALUTQOASA-N 418.469 0.798 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC1 540348884 YOCITNBPTBRBGE-NJYVYQBISA-N 404.603 0.637 30 20 HCED Cc1nn(C)c2ncc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cc12 548042731 ZBNVVKVYNVETEJ-UHFFFAOYSA-N 402.440 0.509 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)C2)nc1 551065380 DLUJMXMKTAPUBD-QGZVFWFLSA-N 417.429 1.211 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 551601209 GZJMWHISSZVEQX-WMLDXEAASA-N 413.478 0.591 30 20 HCED COc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C2=O)c(OC)c1 553887396 SRSUABGJZOOSKP-BBRMVZONSA-N 410.496 0.873 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](O)COc1ccc3c(c1)OCO3)CC2 555800110 ZIASDENTTZZBOD-OAHLLOKOSA-N 409.398 0.732 30 20 HCED COCCOCCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 559480847 CBFXCBCUVAOXNF-KRWDZBQOSA-N 402.451 0.339 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2F)CC1 560974326 HTLKEFAWOHDTIT-UHFFFAOYSA-N 404.486 0.666 30 20 HCED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 584015382 DKSSHIZOZVBASG-IIBYNOLFSA-N 411.462 0.154 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCc2nccs2)CC1 585774308 TXUMKEURBBVOGU-UHFFFAOYSA-N 400.464 0.888 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 588640427 XCVRCYMPLUOKCW-LAPQFRIASA-N 400.410 0.486 30 20 HCED Cn1cc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1C(N)=O 603492225 HOPXJOBRUUTQAG-UHFFFAOYSA-N 401.492 0.892 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3cc(C(N)=O)ccc3F)CC2)nc1 609005792 YETCIGHBGYKGIY-UHFFFAOYSA-N 410.409 0.915 30 20 HCED N#C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 609268173 MRWYPSFUNZCXFW-DZGCQCFKSA-N 408.436 0.746 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610483585 ISTMPHRCMCPYCR-UHFFFAOYSA-N 409.512 0.383 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)c1=O 613979422 NHQHYSGWCCUKDT-ZDUSSCGKSA-N 420.416 0.569 30 20 HCED CN1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 619444518 ASMQGOWFROTXRD-INIZCTEOSA-N 404.492 0.696 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726670811 NCSAEQDHMPBLNG-ORAYPTAESA-N 423.491 0.981 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CC1 728532296 SZUNKGBIGICNOK-MRXNPFEDSA-N 412.519 0.554 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(N)=O)c2ccc(Br)cc2)C1=O 729711002 UAJKEMVWVAXBEZ-LBPRGKRZSA-N 424.207 0.496 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN(C)C2CC2)c1 735587970 PSJRNBVALUQYEK-OQKWZONESA-N 421.523 0.648 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)c1 741741659 JZYDZWLTFVDBEA-KRWDZBQOSA-N 407.430 0.913 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1ccc(C#N)cc1 745352856 BLUYWROYNGMXCA-LBPRGKRZSA-N 419.463 0.757 30 20 HCED COc1ccc(CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1C#N 746873114 SGWDBZAYNZBULX-UHFFFAOYSA-N 416.415 0.439 30 20 HCED Cn1cc(C#N)cc1C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 751724671 NPTBWBDVNKNQDZ-UHFFFAOYSA-N 421.413 0.427 30 20 HCED COC(=O)c1cccc(COC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1C#N 756195826 LFCMJBXEDSIAKF-UHFFFAOYSA-N 422.397 0.956 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1 760006605 FZVOKTYICRVFFL-RIYHMSFISA-N 423.495 0.654 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CCO2)c1 762010592 IYIRRZREPUQLAG-SFHVURJKSA-N 422.445 0.572 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 763384014 PRGKINXECCXCNB-UHFFFAOYSA-N 419.467 0.878 30 20 HCED CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 773883967 RRCYUFACYOAMTJ-QNGOZBTKSA-N 423.495 0.032 30 20 HCED C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCCO1 775337745 CIQIWYDTSDUIEL-HJWJTTGWSA-N 412.895 0.761 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 780839210 FKSQNYWVGWJLOD-UHFFFAOYSA-N 421.440 0.859 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 783481311 WSICVCZBVPQSEG-KRWDZBQOSA-N 417.487 0.791 30 20 HCED C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCCNc2ncccc2C#N)C[C@@H](C)O1 785869343 JRPNXXFHFUKXML-HUUCEWRRSA-N 402.499 0.485 30 20 HCED COc1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)c(OC)c1OC 787299411 VDILEBMQCMTSTN-UHFFFAOYSA-N 413.434 0.824 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787777125 XWRFNFIRZDGUKP-HXUWFJFHSA-N 417.466 0.300 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccncc2)CC1)c1cc[nH]n1 789946231 AYJDRTXYSCLPKK-UHFFFAOYSA-N 400.439 0.433 30 20 HCED C#CCN(C)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 790961736 ZNAYDMZUOPYPJG-UHFFFAOYSA-N 409.446 0.146 30 20 HCED COC(=O)c1cc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc(C(=O)OC)c1 798744565 URDCFIIPCGQVRQ-SNVBAGLBSA-N 415.362 0.466 30 20 HCED COCCN1C(=O)/C(=C(\Nc2ccccc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S 799135267 BDUWYKVEABXQGM-NXXVSJRMSA-N 420.422 0.625 30 20 HCED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2)CC1 802310317 ZONFHBBOFFNXFS-KRWDZBQOSA-N 416.551 0.886 30 20 HCED C#CCN(C(=O)C(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCCC1 804726202 HEAWELIJPXJMKE-UHFFFAOYSA-N 412.538 0.899 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1 806219964 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C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1831424531 KYYWIYINGGYLSS-DYESRHJHSA-N 403.479 0.672 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1831498524 NJSBAQQAIZDUOE-BOSXTWCSSA-N 414.568 0.948 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832563080 BESNMZLRPZZLDY-JXFKEZNVSA-N 407.467 0.573 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832938624 TUPTXTPEOYRZQM-HSZRJFAPSA-N 422.485 0.850 30 20 HCED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1834127448 MWHBNVSQVFOQFG-FQEVSTJZSA-N 400.435 0.464 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cscn3)CCO2)C1 1834256743 ROAQBPULNSXFSQ-KXBFYZLASA-N 409.508 0.786 30 20 HCED Cc1ocnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677959 RLFDNNNMVBTBOS-HXUWFJFHSA-N 419.482 0.335 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835852610 ICPPHOHSNVDTAM-OAQYLSRUSA-N 410.430 0.237 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3noc(C)n3)CC2)CC1 1836858735 ZWNOTRWXOCZZED-OAHLLOKOSA-N 418.494 0.957 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1837402356 GVSQXBVCCNFMTJ-KODHJQJWSA-N 418.893 0.940 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1837447764 SEPKYBXKQTVXMC-MEGCXXLRSA-N 410.490 0.807 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(Cl)nn4)CCO3)C2)CCC1 1837841079 KIYJACOEILYURO-IBGZPJMESA-N 419.869 0.894 30 20 HCED CC(C)n1cnc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1838148747 OBHRLTYGMWRUII-UHFFFAOYSA-N 417.466 0.559 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C)nc1O)CCO2 1838674785 WOZCJKZEDRSZHI-OAQYLSRUSA-N 401.463 0.969 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839123511 SWAIHDGHGDQXTD-MSOLQXFVSA-N 401.454 0.796 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839680193 AOXXZHSZCFSNSE-LIRRHRJNSA-N 411.455 0.554 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1839809365 ZNXKLCRVZLTWEF-IBGZPJMESA-N 417.374 0.027 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1839846249 MPDPWQDFMLXLNU-KXBFYZLASA-N 412.556 0.139 30 20 HCED Cc1ccc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040751 WNOCNKPYCBYXHG-FQEVSTJZSA-N 404.394 0.292 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840162246 QGVJWXOHAXBTMO-MEDUHNTESA-N 400.888 0.518 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840163559 KIWKYZPMUMVCML-ADLMAVQZSA-N 412.464 0.192 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840168740 OMDMRSXBPGBHSK-XWRADEMYSA-N 401.463 0.958 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360301 YAFVFJOOXMBSPP-QGZVFWFLSA-N 413.425 0.336 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc(Cl)cn4)C3)C2)CCC1 1840812974 WGEMVLIUPZYRBV-LJQANCHMSA-N 421.885 0.687 30 20 HCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814051 LUNLICUXEGRRCS-GDJIYFAZSA-N 411.524 0.295 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCOC3)CCO2)C1 1840873792 NEEOFZCJCNLGNE-UTKZUKDTSA-N 422.526 0.151 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1)N1CCN(C)CC1 1841100169 LKDOZNHACMOCDV-GOSISDBHSA-N 409.534 0.940 30 20 HCED O=C(O)c1cc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)ncn1 1844299521 AGNGLRDBXBCLMV-HGFPGGDJSA-N 417.422 0.521 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1845521668 MZQRKHLLTXRHHX-UHFFFAOYSA-N 406.442 0.999 30 20 HCED CNc1nsnc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847260654 QHLBWKUURXCYAG-NPHSQHDDSA-N 408.484 0.924 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847350555 ZLOUCMHVMOICHG-IHRRRGAJSA-N 421.498 0.507 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c1=O 6112929 PTYBMESPJIAQGO-UHFFFAOYSA-N 416.434 0.548 30 20 HCED COc1ccc(C(=O)N(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 47339216 XMYDVMBJMJYWLZ-UHFFFAOYSA-N 406.464 0.986 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 52427188 JSZPBYOXRRIBHY-UHFFFAOYSA-N 419.463 0.185 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(C(N)=O)cs2)CC1 53112197 OQIXCKUPTOFMTO-UHFFFAOYSA-N 404.473 0.865 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)C1=O 53270728 FWOARMNTWZMMKZ-NSHDSACASA-N 405.407 0.866 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 55926566 LELRYHQQIRINFB-CQSZACIVSA-N 404.467 0.862 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2ccc(OCC)cc2)c1=O 60892018 PCERHSVVSNJQJL-UHFFFAOYSA-N 414.462 0.601 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC(=O)NC1CC1 196392058 OUQXKXOZSVCPGX-NSHDSACASA-N 408.436 0.412 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 435933078 DIPIFCPXECRDBJ-LBPRGKRZSA-N 401.397 0.025 30 20 HCED Cc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1C#N 441618567 GRDYZFDVROSGEX-SFHVURJKSA-N 421.457 0.524 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)on2)c1 447438309 GKJQLKNBAMYYTO-IAGOWNOFSA-N 416.459 0.441 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)CN2CCCC2)c1 462871188 BVVFIVCMLJQEBB-INIZCTEOSA-N 412.450 0.797 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 465472001 KTRMVISDVVNGJT-GFCCVEGCSA-N 414.447 0.693 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)n2)c1 466980716 IZEJGRRPNHBNHP-UHFFFAOYSA-N 408.462 0.361 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H](CO)O1 470924803 AJDYIQCQZKDSNY-BXUZGUMPSA-N 403.826 0.944 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 476046509 FEOYDFZXNNDIHX-CYBMUJFWSA-N 405.480 0.498 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)n1 476181017 ZQINCCOJITYERT-UHFFFAOYSA-N 417.373 0.812 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1 480954777 HTOIYXSRWURECF-RISCZKNCSA-N 400.482 0.657 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc(C(N)=O)c1 481508246 MSIVNTLMFGFPTE-CYBMUJFWSA-N 400.460 0.683 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)n(C)c1 488600524 WSTMSFRWGZXDAW-MRXNPFEDSA-N 407.430 0.421 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(CC(F)(F)F)CC3)n2)cc1 490824448 IGLLTPREOOGLEJ-UHFFFAOYSA-N 421.383 0.843 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C(N)=O)C(C)C)nnc12 501024785 QMGOPPWBTMOHQO-OAHLLOKOSA-N 414.491 0.948 30 20 HCED CN(CC(=O)N[C@](C)(C(N)=O)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 502774422 OBBXULZTNRUHIP-IBGZPJMESA-N 400.460 0.696 30 20 HCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 507542260 AYYZUSNARNZNAU-IYBDPMFKSA-N 405.524 0.764 30 20 HCED CCOC(=O)c1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1C 508136723 QEPKHSNLZPDNSG-NSHDSACASA-N 405.436 0.774 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCOCC 514523492 IDQGIDRKIIHNNP-UHFFFAOYSA-N 400.504 0.761 30 20 HCED Cc1ccc(C(=O)N2CCC(c3nncn3C)CC2)cc1S(=O)(=O)NCC#N 520496307 BCJXZNDBAXIAGY-UHFFFAOYSA-N 402.480 0.945 30 20 HCED COc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1[C@]1(C)NC(=O)NC1=O 521059669 FJSSXHKGRBMKLI-KRWDZBQOSA-N 401.404 0.817 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)C1=O 522993801 QSGDPXUEBJUTPN-UHFFFAOYSA-N 402.407 0.377 30 20 HCED N#Cc1cc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(F)c1 531501522 KMMNLDHZEMHLKK-UHFFFAOYSA-N 424.385 0.675 30 20 HCED Cn1cc(I)c(=O)n(CC(=O)Nc2cccc(C#N)c2)c1=O 534999917 PQUKLTLQAPPRQT-UHFFFAOYSA-N 410.171 0.662 30 20 HCED COCCCNC(=O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536975648 MJNICSAFFUJVSD-UHFFFAOYSA-N 418.498 0.840 30 20 HCED CCOc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 538112831 SXLHPQLUTXDAIG-CYBMUJFWSA-N 424.479 0.321 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 550373366 TWENCFBYBUGBPM-HZPDHXFCSA-N 420.510 0.845 30 20 HCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 551601207 GZJMWHISSZVEQX-PBHICJAKSA-N 413.478 0.591 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(N(C)C)n3)CC2)c1C#N 554718457 WHUZRFBAVSIAEV-UHFFFAOYSA-N 410.482 0.026 30 20 HCED C=CCN(C)C(=O)C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 557519100 IDBTWTVOSMBFGV-UHFFFAOYSA-N 416.522 0.533 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1S(N)(=O)=O 561659468 CKDBOUMLOPZCHB-LBPRGKRZSA-N 422.488 0.189 30 20 HCED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 570077592 AUWMBZALUHEZCB-GOEBONIOSA-N 401.442 0.377 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 572154087 ZBRVTSQYLZNCIQ-ZBFHGGJFSA-N 404.492 0.696 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)Cc1ccc(F)cc1 577241129 PBIPAXQOEAJINJ-UHFFFAOYSA-N 424.480 0.989 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)cc1 588765307 CHJFGBTYGWDCQG-HXUWFJFHSA-N 418.501 0.993 30 20 HCED COc1cc(C#N)ccc1OCCS(=O)(=O)c1nnc(O)n1C[C@H]1CCCO1 610146608 JCNIYPRROYHMGI-CYBMUJFWSA-N 408.436 0.896 30 20 HCED CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC1 610807704 VTPCELUFYDHRGP-YOEHRIQHSA-N 406.508 0.988 30 20 HCED C[C@]1(C#N)CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 612165503 NPYPUGNRDUELEN-HXUWFJFHSA-N 420.535 0.949 30 20 HCED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 669803050 DFYFKXWAFYSBQY-UHFFFAOYSA-N 422.493 0.990 30 20 HCED C=CCn1nnn(CN2CCN(S(=O)(=O)c3csc(C)n3)CC2)c1=S 728568376 XVGJPTKARIXQLK-UHFFFAOYSA-N 401.543 0.724 30 20 HCED N#C[C@@H](C(=O)C[C@@H](c1ccccc1)N1CCOC1=O)C(=O)N1CCS(=O)(=O)CC1 732909975 IEOKIJPTVWUMEV-HOTGVXAUSA-N 419.459 0.536 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)ccc1F 733279554 YNBJGTNBYKMQJJ-ZDUSSCGKSA-N 419.500 0.444 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CN(Cc2cccnc2)c2ccccc2)CC1 735654765 JTSRZHGSQVORDH-UHFFFAOYSA-N 405.502 0.982 30 20 HCED CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737304549 KKRMDNPQCDCAAM-ODENVGOISA-N 424.523 0.961 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 740509560 AODDGIFXMDTBLQ-ZDUSSCGKSA-N 413.521 0.421 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCSC 751826336 TZDZNWBAEZVUCH-UHFFFAOYSA-N 405.549 0.426 30 20 HCED COC(=O)c1cc2c(cc1NC(=O)C(=O)NCCNc1ncccc1C#N)OCO2 753818368 XTSRENXLEGLJDL-UHFFFAOYSA-N 411.374 0.635 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)c1 760679254 GRKFSTNAFNYJON-AWEZNQCLSA-N 417.447 0.063 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 761023586 IRTZRTLKBWHTDK-CYBMUJFWSA-N 409.899 0.624 30 20 HCED C[C@H](O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 762583619 SFMLMKXRTQPICV-BPHPCYGNSA-N 410.496 0.667 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccn(C)c2)c1=O 763454792 PMAPADUAHLTJMW-UHFFFAOYSA-N 402.545 0.783 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NOCc2ccccc2)cc1 769636284 YMJHDUGPQJLMKC-UHFFFAOYSA-N 403.416 0.628 30 20 HCED CC(C)[C@](C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 770556428 NEZVHGWSHODNHA-IBGZPJMESA-N 423.491 0.341 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCNC(=O)OCc1ccccc1 771732926 RVQXYTTUAHAESH-INIZCTEOSA-N 416.521 0.918 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)Cc3ccc(OCC#N)cc3)ccc21 774918654 HAWFZVTWBQIEFG-UHFFFAOYSA-N 414.443 0.827 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H]2CCCOC2)c1 781374345 FRVUVRDZBWMYKY-NVXWUHKLSA-N 408.476 0.686 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 781602290 IVZWWIDIBDUPLE-VUKUWZNJSA-N 403.391 0.309 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1 783618046 JWIONGAACZRRNB-UHFFFAOYSA-N 404.510 0.933 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 784825093 XFXDKRDRGXOJHR-KRWDZBQOSA-N 400.479 0.160 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCCNC(=O)Cc1cccc(F)c1 787779923 ZHKDSZJYEWXJFB-UHFFFAOYSA-N 412.425 0.096 30 20 HCED Cc1nn(C)c(N2CCN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)c1C#N 788045515 WWENOKBTXUQTFX-UHFFFAOYSA-N 409.406 0.884 30 20 HCED C#CCn1ccc(CN(CC)C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 790117927 JGOQAEARIFAOLT-LJQANCHMSA-N 401.511 0.578 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)COc2ccc(C)cc2)CC1 793767634 UCOZOHKJMVZOLO-QGZVFWFLSA-N 402.495 0.325 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C(C)C)c1=O 794583185 XOVSYHKSTJOZLB-UHFFFAOYSA-N 415.519 0.459 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NCCCN3CCCC3=O)CC2)o1 796280499 XFAPAPXKMOEDFZ-UHFFFAOYSA-N 417.466 0.743 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OC 796456716 VLYMQXAHHADDLU-AWEZNQCLSA-N 408.432 0.468 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc([C@@H](C)O)s3)CC2)o1 798694116 CAPRITXMFJXJNM-SNVBAGLBSA-N 405.436 0.870 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCc2cc(S(N)(=O)=O)ccc2F)c(F)c1 802556354 VBDHEMBXTKZVTI-UHFFFAOYSA-N 411.361 0.988 30 20 HCED COCC1(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 811161318 VVMXBESSFPTSRI-LLVKDONJSA-N 415.493 0.129 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)c2ncccc2c1)[C@@H]1CCS(=O)(=O)C1 815590781 IQVUUFFPUGHHNE-OAHLLOKOSA-N 401.444 0.831 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)c1 815783668 XHSPFGXFLHDSAI-UHFFFAOYSA-N 401.444 0.791 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 916889873 JFVUWHFXGOJGIY-OAHLLOKOSA-N 400.416 0.840 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(C)s2)c1=O 917762063 SRQCKSWUGZTQTD-UHFFFAOYSA-N 406.533 0.741 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 918787032 PVMVRCAPLCSCMX-LRDDRELGSA-N 403.414 0.797 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](CO)Cc2ccncc2Cl)c1 1161256608 UUCHIDWKPADVJL-CQSZACIVSA-N 422.894 0.852 30 20 HCED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1297690271 LDBSSMCSYGAMPL-RYUDHWBXSA-N 406.534 0.061 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)C1 1302470913 ZTHGUFREVZMSSA-HNNXBMFYSA-N 416.511 0.757 30 20 HCED N#CCCN1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1302597998 ZSWTUUIKOMAJQV-OAHLLOKOSA-N 400.888 0.037 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 1318144218 SCJNQOPUAGJACL-UHFFFAOYSA-N 424.486 0.731 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1C 1319176343 SBUZRHMNORZNEP-UHFFFAOYSA-N 411.527 0.981 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCc2ccc(C#N)cn2)c1 1321158250 VLFBOMOHSPJRHI-UHFFFAOYSA-N 404.448 0.889 30 20 HCED Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)sc2nc3n(c(=O)c12)CCC3 1327641570 SUNFRICHUHIFRE-JQIJEIRASA-N 413.459 0.969 30 20 HCED CN(CCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1328357690 WWWGGJAJHBWQKQ-HNNXBMFYSA-N 421.479 0.161 30 20 HCED CC(C)(C)n1ncnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1359550050 NBXOVVGKZSPSPD-CQSZACIVSA-N 413.486 0.638 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 1507868729 NZQXOLAKMOJJDY-LBPRGKRZSA-N 423.948 0.014 30 20 HCED CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1508743195 MHSUUDSROWDENW-UHFFFAOYSA-N 423.521 0.988 30 20 HCED Cn1cc(CNC(=O)NCCS(=O)(=O)NC2CC2)c(-c2ccc(C#N)cc2)n1 1564543822 RUJDRRWQNMSZEI-UHFFFAOYSA-N 402.480 0.840 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)CC1 1611253232 RGCODGZCEUAIOT-MAUKXSAKSA-N 408.524 0.652 30 20 HCED N#Cc1cccnc1NCc1cccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1627707528 OZAOSBPATJENBU-IBGZPJMESA-N 400.460 0.845 30 20 HCED CC(C)C(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750572746 QSLAKKFMGNGEPF-RDJZCZTQSA-N 401.515 0.731 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ncn(C)n1 1761481490 QVFOJCXFEFPVJU-GFCCVEGCSA-N 407.504 0.195 30 20 HCED CNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1769329308 LVFREYOPWISEQR-CYBMUJFWSA-N 422.449 0.057 30 20 HCED CC(C)CNC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017775 UQEBGCKVTRWZLD-BOURKTIISA-N 407.515 0.060 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1779066825 HWFDKBLWHRAPSB-NRFANRHFSA-N 415.494 0.197 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1781263682 CALWBSREITYLRF-FQEVSTJZSA-N 409.483 0.240 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1781272174 YHANHMPJROSZQN-OXQOHEQNSA-N 404.467 0.783 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781758366 NOSLSHCYZMUMMQ-VGSWGCGISA-N 415.490 0.802 30 20 HCED Cc1ccc(O)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782013728 DEVBHVRZNOINFW-DYESRHJHSA-N 400.431 0.916 30 20 HCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782199606 SDCYAPZATIKLOG-XCLFUZPHSA-N 410.434 0.013 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1782607703 RAJJDHAVBLWSKC-JNAXZKDPSA-N 402.520 0.901 30 20 HCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1)n1cnnn1 1783128084 ZDAZWZBTDKXVMZ-SPYBWZPUSA-N 401.471 0.442 30 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C[C@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)N(CCC#N)c1ccccc1 444415775 VPJMISWCZMJCQR-KRWDZBQOSA-N 410.478 1.489 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)C1=O 446428730 YMRCKQBAZFWCPJ-UHFFFAOYSA-N 412.377 0.951 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cn1 460588153 VCGKJCRUNPCOBA-KRWDZBQOSA-N 415.413 0.777 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C(C)C)N1CCCS1(=O)=O 461296456 SOZWTSPZPOICNS-INIZCTEOSA-N 402.480 1.446 30 20 HCED N#CCCCOc1cccnc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 466621766 TZYVPICNFOOAEO-UHFFFAOYSA-N 416.482 0.772 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 468760683 AHVBQXBAEJLJFU-KZULUSFZSA-N 411.480 0.434 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCn3ncnc3C2)CC1 473455319 VOKFEETYLFBXHE-UHFFFAOYSA-N 408.422 0.562 30 20 HCED N#CCCCOc1cccnc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 474837757 ROULSZBNZYUFKX-UHFFFAOYSA-N 420.455 0.421 30 20 HCED COC(=O)[C@@H](C)SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 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415.475 0.004 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3c(C)cnn3C)c2=O)cn1 505682274 CVCNDRDKFHZSLO-UHFFFAOYSA-N 410.503 0.886 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 505943669 OGPLOPQSIJIRPB-MRXNPFEDSA-N 418.494 0.631 30 20 HCED COc1ccc(CNC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 507433914 OAMAKZTYIIDPFU-UHFFFAOYSA-N 416.459 0.278 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 509001292 WIANOGZBLLCNDC-UHFFFAOYSA-N 405.414 0.584 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 510145028 NJDOXYKQSLIVNB-CYBMUJFWSA-N 401.510 0.162 30 20 HCED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 511355711 SEFHONFUEKCEQO-WBVHZDCISA-N 422.459 0.426 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 520374197 TYVGWCHYCZROLM-OAHLLOKOSA-N 411.480 0.550 30 20 HCED CN(C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O)c1ccccc1 524282304 BIHQDGAVGHJSLC-UHFFFAOYSA-N 424.507 0.623 30 20 HCED Cc1ccc(C(=O)NC[C@@H](O)COc2ccccc2)cc1S(=O)(=O)NCC#N 532147459 FENMUXVCQIJQDW-MRXNPFEDSA-N 403.460 0.967 30 20 HCED CN(CC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 532174243 RAQFEYOMYQKQJX-RTBURBONSA-N 420.535 0.938 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccccc2S(N)(=O)=O)cc1 554081559 MSRQMQOKEXVLDV-UHFFFAOYSA-N 407.473 0.437 30 20 HCED COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(N2CCN(C(C)=O)CC2)n1 555139288 AWQBMUNGMZKIPK-UHFFFAOYSA-N 416.463 0.826 30 20 HCED Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC2)c2ccccc2c1=O 555487677 HZLMKKVEVYWCMG-LSDHHAIUSA-N 421.461 0.957 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)ccc1Br 559643324 IRNCRCACRRCBES-CQSZACIVSA-N 422.283 0.715 30 20 HCED N#Cc1ccncc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 571476604 HYEOAAYYQIWTPJ-UHFFFAOYSA-N 400.464 0.230 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 577250384 WVVFNXWPYPQZGW-UHFFFAOYSA-N 413.459 0.216 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCN(C)CC1 578125286 VYNLPAMYNHYPNS-GOSISDBHSA-N 424.509 0.466 30 20 HCED CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 579044206 GTRJPFYWYYUIQA-INIZCTEOSA-N 406.508 0.847 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1F 579898577 KCNVCILIKAODAI-OAHLLOKOSA-N 424.454 0.289 30 20 HCED Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)C1=O 580354539 IPWSOSMEKWFUAN-INIZCTEOSA-N 406.446 0.488 30 20 HCED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 581853381 AQGHBGKYEFOWOB-INIZCTEOSA-N 402.494 0.695 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)NS(C)(=O)=O 590226186 XZIFJQIVZYTJHZ-UHFFFAOYSA-N 417.285 0.703 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(Cn3cncn3)c2)CC1 604169274 XLVLVYDQRMSIHB-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609108093 LZBQRNWKZPBZPH-RDJZCZTQSA-N 404.492 0.289 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 609736280 YUPVJQVIMFWPKF-CQSZACIVSA-N 402.480 0.771 30 20 HCED CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 611431164 WCVVPZHZVZDJSX-HOTGVXAUSA-N 408.524 0.967 30 20 HCED O=C(NO)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 671998411 JZBQUKRDJOMYQS-UHFFFAOYSA-N 408.436 0.085 30 20 HCED CCOCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccnn2C)c1=O 679753567 WANHJNPBNUNJIR-UHFFFAOYSA-N 400.504 0.942 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cn2c(S)nnc2-c2ccc(C)cc2)CC1 728534309 ZXJXEVMKYHWYDJ-UHFFFAOYSA-N 412.519 0.436 30 20 HCED Cc1cc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)no1 732910251 NGPPRPKHJDVKHA-HNNXBMFYSA-N 404.448 0.970 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C(C)C)n2nnc(-c3ccccc3)n2)CC1 733148617 FAPRBIMAVVDHBX-HXUWFJFHSA-N 423.521 0.821 30 20 HCED C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 740488052 XAYJMVQEFARFED-UHFFFAOYSA-N 422.532 0.564 30 20 HCED CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)nc1 746365389 QIXCBZWTWRHSAS-UHFFFAOYSA-N 411.422 0.266 30 20 HCED C#CCN1CCN(C(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)CC1 750002411 CLEKITHLYFRIRF-UHFFFAOYSA-N 400.464 0.303 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750368167 XXHPJEQIIGFYGQ-SPLOXXLWSA-N 414.462 0.917 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 757596146 UUWCXZOHAUZDRF-WDEREUQCSA-N 400.482 0.884 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccnc2C#N)CC1 758097348 VDOBBWRDBBJTRJ-UHFFFAOYSA-N 409.468 0.311 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1[C@H]1CCOc2ccccc21 763459205 YCGXXNUGQMUNFY-KRWDZBQOSA-N 420.494 0.869 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCCO3)c2=O)c1 763466666 SXIYFEGWMGRFQU-INIZCTEOSA-N 412.515 0.599 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCSC)c2=O)cn1 772300981 UJFTWBOXKWPHTQ-UHFFFAOYSA-N 415.544 0.742 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 773244260 IUBJLUQKRIUETN-HXUWFJFHSA-N 403.504 0.961 30 20 HCED COCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(N)=O 775988992 RHKPLFLQNJIMRR-YRHWPSCSSA-N 411.484 0.511 30 20 HCED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 779343130 MUBWLCFQVQOZLU-DZGCQCFKSA-N 406.508 0.973 30 20 HCED Cn1cc([C@H](O)CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 782811508 SIONRSMHKYRJCN-OAHLLOKOSA-N 413.825 0.919 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC 782986975 HPOSQZVNIPSQMR-UHFFFAOYSA-N 405.450 0.139 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 783015855 YBFZNSOOTSIYRJ-UHFFFAOYSA-N 410.496 0.691 30 20 HCED C#CCN(C(=O)C(=O)Nc1scc(C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 783480491 KADDQUIZFMCOJW-LBPRGKRZSA-N 412.489 0.821 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@@H]1CO 786010261 HXYGXCWEJRMYJV-ZNAFYTPQSA-N 422.507 0.667 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH]1 786091384 HYDBPNOWMAFAFZ-UHFFFAOYSA-N 420.422 0.715 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)[nH]c21 789789256 RSWQCSCLMNNRFS-UHFFFAOYSA-N 418.410 0.351 30 20 HCED CN(C)c1nc(N)nc(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 791405346 WGUZNVCQZYJWNZ-UHFFFAOYSA-N 405.440 0.069 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCCO1 793732878 JTQPFSXQZQGXAI-NEWSRXKRSA-N 412.490 0.302 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(O)nc2C)CC1 796178801 FLTCRPDNIKUMIP-UHFFFAOYSA-N 409.284 0.755 30 20 HCED O=C(NCCCN1C(=O)c2ccccc2C1=O)NCCN/C(O)=C1/N=CC=CC1=O 806779864 DRUUDOVJOLMZJI-MSUUIHNZSA-N 411.418 0.498 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccnn2C)cc1 807470974 SILCZBOSQOHNEZ-RCCKNPSSSA-N 404.452 0.810 30 20 HCED COC(=O)N(C)CC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809124091 UAYOJFDPZGLTAG-UHFFFAOYSA-N 408.205 0.963 30 20 HCED COC[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)C1 810382832 UHDBIUUXHYFZKU-APHAIJBRSA-N 422.482 0.903 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOCC)CC1 812190182 RWZLTUUYMROWNH-UHFFFAOYSA-N 404.515 0.809 30 20 HCED Cc1c(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cnn1C 813952547 KRYJKFXQDJMODK-UHFFFAOYSA-N 410.477 0.925 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 849071779 IASQJYMTSFVVIS-UHFFFAOYSA-N 423.583 0.858 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 856247238 BHFZGNQUGQJYFB-AWEZNQCLSA-N 423.491 0.068 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 914764933 QMFKTAYELNREFL-UHFFFAOYSA-N 401.510 0.046 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 916178717 SRJQGDYWTIEADS-HXUWFJFHSA-N 424.438 0.757 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccn(CCN(C)C)n1 1000563916 PVZHJFLRSXZNMW-PTGCCPEKSA-N 401.511 0.898 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)Cc1cnn(C)c1 1111040707 XOJGPCSOVZUSJR-QQXKLLMISA-N 401.511 0.691 30 20 HCED C[C@@]1(CO)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@]1(C)CO 1175292967 RTYDAMXHKWWKGU-AHRSYUTCSA-N 406.552 0.770 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1252397145 MGEJARRPOZJDPE-WTIFFKHKSA-N 411.480 0.098 30 20 HCED CC1(C)C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1289006364 SJTGHQZTUISUII-QLFBSQMISA-N 424.527 0.386 30 20 HCED CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1301854456 XMZBWAUWOZOTKS-INIZCTEOSA-N 420.481 0.741 30 20 HCED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(N)=O)c2)CCO1 1316541003 QHSAWSWTAOJEDG-MRXNPFEDSA-N 409.450 0.276 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@]1(N2CCOCC2)CCSC1 1318515809 IMEHVQJDRVUAGB-WBYGGXTKSA-N 409.512 0.020 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cnnn2C)C1=O 1324051970 VUYSYRKMVRYVPR-ZDUSSCGKSA-N 401.452 0.182 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(S(C)(=O)=O)C1 1469017485 YOFPXTMAQZBAGK-AWEZNQCLSA-N 413.521 0.395 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1539804198 SIMYGKHWKMINCU-LBPRGKRZSA-N 410.949 0.804 30 20 HCED C[C@@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1545126060 WQPFVMGYMSYITJ-BEFAXECRSA-N 405.478 0.563 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2cn[nH]c2)CC1 1630370140 XGFFABZXMXZYJD-CQSZACIVSA-N 402.480 0.293 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)CCO1 1696964924 SBEIBJGHZGRQBH-LAUBAEHRSA-N 410.478 0.929 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)n1 1760689502 YJXZUNACPUHDQS-OLZOCXBDSA-N 409.520 0.245 30 20 HCED Cc1n[nH]cc1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1761609249 PQLYFVPIKNOXMD-JKSUJKDBSA-N 419.511 0.573 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c3nccc-3c2)C1 1777898598 FLJFMHAPKNIRFJ-IIBYNOLFSA-N 410.430 0.730 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1778787830 ROGKDUGDVGNSKP-OXQOHEQNSA-N 416.434 0.066 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1778957461 RTDZGYQHECCKGK-QVKFZJNVSA-N 413.478 0.709 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cscn3)CCO2)C1 1778972525 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404.430 0.772 30 20 HCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197478 UCANIAOLUHEMFQ-AWEZNQCLSA-N 407.467 0.971 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C)c([N+](=O)[O-])cn1 1847262478 ZUEGKHQLWQYODP-UDLYIEAKSA-N 413.434 0.972 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)n(C)c(=O)n2C 1847801960 BTLSSECDDKUNBI-WBAXXEDZSA-N 410.474 0.731 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)NCCC#N)n2C 9093190 GOLIYXPKLPPNDJ-UHFFFAOYSA-N 421.479 0.329 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 16557909 SGZVDJOWAAPRIV-UHFFFAOYSA-N 421.475 0.913 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1 409555114 MLCMIQFWIHLOQW-UHFFFAOYSA-N 410.496 0.560 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)n2)c1 409687130 LMNCEWOPRYLQSY-KRWDZBQOSA-N 417.491 0.962 30 20 HCED Cc1ccc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(=O)n1C 427854469 AXEZVOOUFUJOCJ-UHFFFAOYSA-N 408.393 1.145 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 435235282 LYEVVRVQQXWGKT-LJQANCHMSA-N 420.491 0.170 30 20 HCED N#CCCN(C(=O)CCC(=O)N1CCN(c2cnc(O)nc2N)CC1)c1ccccc1 435887660 IOGFZLGCVKZUNT-UHFFFAOYSA-N 423.477 1.140 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)n2)c1 440287561 AFDQSYOIPIGTMU-LBPRGKRZSA-N 405.461 0.510 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 442014480 UFLAZSXTHPJNST-STQMWFEESA-N 415.475 0.189 30 20 HCED COc1ccc(Cl)cc1NC(=O)CCNC(=O)C(=O)Nc1ccn(CCC#N)n1 444513888 DPAUUNFRHHZUBD-UHFFFAOYSA-N 418.841 1.542 30 20 HCED Cc1nsc(N2CCN(C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)c1C#N 460324794 GVCREMMEPVRGES-HNNXBMFYSA-N 414.495 0.694 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1cnc(C2CC2)nc1 460738079 SOGFBMMURAMOOU-UHFFFAOYSA-N 416.445 1.412 30 20 HCED CC[C@@H](C#N)S(=O)(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 462079269 DLNICCQFDBGRQW-ZDUSSCGKSA-N 403.482 0.760 30 20 HCED N#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 465151373 YPPIRNZFHZEMSS-UHFFFAOYSA-N 407.315 0.457 30 20 HCED CC(C)[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1CCN(C)CC1 465224000 WTRQWLOLJWQWQQ-IEBWSBKVSA-N 414.558 0.840 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1 465371495 MYBRSWGIOSHXJN-AUUYWEPGSA-N 418.475 0.872 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1C(N)=O 465427211 YCYRVXWMBOQUAR-ZDUSSCGKSA-N 407.434 0.431 30 20 HCED C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 467992472 GDRDZWBDFGLTRH-ZVEIASASSA-N 409.446 0.153 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(CC(F)(F)F)c3)CC2)c1C#N 472870209 LCRKKLHRYZGVHV-UHFFFAOYSA-N 424.387 0.646 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1Cc2ccccc2C1 477549827 MEKUUBRODOWCKE-CQSZACIVSA-N 412.471 0.884 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)NCCOCCS(N)(=O)=O)n2)c(Cl)c1 480322118 XQLPCOIJGKUZTQ-UHFFFAOYSA-N 412.859 0.824 30 20 HCED CCN(CCC#N)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 481074340 QKYBZUCPZFQEKP-UHFFFAOYSA-N 401.510 0.940 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1F 484604199 ZQZXYDQGFBWUML-UHFFFAOYSA-N 419.503 0.673 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 488078911 UDWSJXROSYEXLU-JZXOWHBKSA-N 402.561 0.802 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(N(C)C)no2)C1 508883625 BYAMGWDVVJQPIY-STQMWFEESA-N 424.531 0.907 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 510962132 NJZUDGUCPQHZKJ-OAHLLOKOSA-N 409.450 0.842 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CCN1Cc1ccccc1 513064715 OCFFLUURDDTRON-IBGZPJMESA-N 416.445 0.837 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1 520684584 VJVZCWJBVKEUBJ-MRXNPFEDSA-N 411.480 0.335 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1=O 526009901 CNQKEXRKEGLTOD-CQSZACIVSA-N 403.439 0.351 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(I)c1 538589068 UZYQERBLXWLURD-UHFFFAOYSA-N 401.204 0.957 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](c2ccnn2C)C1 549335030 RLFOALHQAMFTFY-MRXNPFEDSA-N 418.461 1.526 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 555273180 SNWUGJZWWDYDIP-TZMCWYRMSA-N 411.532 0.505 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCN(c3ccccc3C#N)CC1)CC2 557868790 ASRBXNSKWIYDDW-INIZCTEOSA-N 407.478 0.486 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1O 561873591 SEEBKZYQFDPNKZ-DLBZAZTESA-N 408.543 0.990 30 20 HCED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 562899715 VONODNUOHUPXOD-OALUTQOASA-N 411.506 0.623 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC(=O)NCc2ccccc2)c1=O 570269847 ILFGRSCWCYJWRV-UHFFFAOYSA-N 409.446 0.578 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C)C(=O)C1 570645226 HWIINCLQLXTJIB-UHFFFAOYSA-N 404.496 0.660 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](CO)[C@@H](O)C2)CC1 579998298 VGMGDYUPOUNTCM-HOCLYGCPSA-N 415.450 0.130 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)n(C)c2n(C)c1=O 584089668 BHCJPGPUAULRTF-UHFFFAOYSA-N 404.390 0.280 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)C1=O 588068160 YSPCAIHWISGOIU-UHFFFAOYSA-N 424.417 0.814 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(C4CC4)nc3N)CC2)cc1 588257621 IVKAFVFSGTUTOP-UHFFFAOYSA-N 412.475 0.955 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2F)c1=O 590897858 RXQXVAYYUMBXKZ-CYBMUJFWSA-N 401.463 0.889 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCc2ccccc2Cl)C1=O 726043259 MDTBLKPEZHRPHA-LLVKDONJSA-N 407.810 0.865 30 20 HCED N#Cc1ccc(N2CCN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC2)nc1 726474157 YYODLRHCYUFHJN-UHFFFAOYSA-N 416.532 0.797 30 20 HCED CN(C)S(=O)(=O)c1ccc(CON=C(N)c2ccc(S(C)(=O)=O)cc2)o1 726788615 RFLDXWKQFDIZJZ-UHFFFAOYSA-N 401.466 0.771 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 728946208 DGPCEELRCILKLA-MRXNPFEDSA-N 417.514 0.234 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 731862680 JVCUMNHHOLMTJC-FBMGVBCBSA-N 404.448 0.384 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)cc1 732563559 KUOOIWRTYXKTIX-IBGZPJMESA-N 418.563 0.839 30 20 HCED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccccc1Cl 732910232 MGRCKBVOFZMWOC-LBPRGKRZSA-N 421.866 0.809 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cn1C 734587687 QUHDDZOBJCRKTJ-MRXNPFEDSA-N 405.436 0.038 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OC 739959214 QECDRLDVOFKDQE-FOCLMDBBSA-N 409.420 0.287 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(CC(=O)NCCOC)CC2)c1 745822042 XHJMIZGWNTWSOB-SFHVURJKSA-N 417.510 0.957 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(Cl)c(-n3cnnn3)cc2OC)CC1 747736461 IDAVHHPCGGWACP-UHFFFAOYSA-N 402.842 0.926 30 20 HCED COc1cc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)ccc1OCC(N)=O 750414964 PDNPJKQQAFNUOZ-UHFFFAOYSA-N 403.416 0.691 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 756302114 AQJOCXRILDAZAK-UHFFFAOYSA-N 405.426 0.492 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC(F)F)c(F)c2)c1=O 758051728 XGRNYLWNRGIDJW-UHFFFAOYSA-N 407.373 0.533 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccccc2OCCOC)c1=O 758078854 COFNDWMMDKOEDH-UHFFFAOYSA-N 423.494 0.373 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2=O)c1 763447503 XDKBXUDKDULNRC-UHFFFAOYSA-N 422.466 0.698 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)N(CC)CC)CC1)c1cc[nH]n1 770829749 CTBPKUCBWUADSJ-UHFFFAOYSA-N 408.459 0.300 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 772312240 SUSVDEHLNKGOPD-AWEZNQCLSA-N 413.503 0.271 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1 774011760 GLTDXAUKGWIYRL-OWCLPIDISA-N 405.451 0.788 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)c1 783464674 KGFLEZACCGCIIT-UHFFFAOYSA-N 403.402 0.645 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2ccc(F)c(C#N)c2)CC1 792323416 HNJYYPMJKXNEEI-UHFFFAOYSA-N 404.442 0.913 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)O[C@H]2CCN(CC(F)(F)F)C2=O)c1 795327322 MWBHQCLKELXMSN-LBPRGKRZSA-N 405.354 0.543 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n(C)c1=O 795818009 BRVHWLCAZCBSSE-OAHLLOKOSA-N 406.402 0.231 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2c(C)nn(Cc3ccccc3)c2N)CC1 796179107 HVQMVOSBBASOJN-UHFFFAOYSA-N 408.506 0.719 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@]2(CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 800109201 KZOXOGVAOSDAMY-WMLDXEAASA-N 400.501 0.788 30 20 HCED Cc1ccc(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)cc1S(N)(=O)=O 801554051 PDMUPWPSDPGSEU-UHFFFAOYSA-N 414.491 0.670 30 20 HCED CCOC(=O)N1CCC(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 810345338 UWOBJYQJWAFOOJ-UHFFFAOYSA-N 411.422 0.815 30 20 HCED CO[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 810470944 WYLMMMIAYLOXNQ-BBVBSRCGSA-N 410.496 0.978 30 20 HCED COCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2ccnn2C)c1=O 914565175 XRKOXDKNJAJXKO-UHFFFAOYSA-N 412.446 0.815 30 20 HCED Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 916867017 ROFLECVAYOBROS-INIZCTEOSA-N 405.476 0.961 30 20 HCED COc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)cc1C#N 1083662622 BFVVWDHFMJNXRA-HBWRTXEVSA-N 401.463 0.280 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2C(=O)CNC2=O)c1 1115886406 BBTBBTADCKAQHE-RCCKNPSSSA-N 421.479 0.770 30 20 HCED COC(=O)[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1Br 1192387089 PQLBWMRQCKMQIN-GXFFZTMASA-N 418.269 0.722 30 20 HCED Cc1c(C(=O)N2CC[C@@](O)(CC#N)C2)cc(Br)cc1S(N)(=O)=O 1299890592 YCSCLRCMWAHQQH-AWEZNQCLSA-N 402.270 0.896 30 20 HCED CS(=O)(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1302428452 RNPTXVGYDFXWOG-HNNXBMFYSA-N 402.480 0.570 30 20 HCED CO[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1315161813 JYSYBYILIAVSIN-KBPBESRZSA-N 409.450 0.956 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 1469272342 NLBXBFZQYGSJAF-LZWOXQAQSA-N 413.521 0.577 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 1622238295 STKBJILIBJNAGD-UHFFFAOYSA-N 408.524 0.642 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)c(=O)nc1O 1630063774 UDSFPVIKMPPANQ-BRWVUGGUSA-N 407.430 0.484 30 20 HCED COCCN1C(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2S1(=O)=O 1632349410 ZWZBKYYBDYLARQ-UHFFFAOYSA-N 406.464 0.149 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC[C@@](O)(CC#N)C1 1667767794 MSDSEGVPDXKKRV-SFHVURJKSA-N 424.479 0.598 30 20 HCED N#CC1(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCOCC1 1684722259 IZDBRJJMJTUEAP-HNNXBMFYSA-N 400.501 0.143 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1778081133 GIRJCUZPJVJFEO-DHYLWCPWSA-N 420.535 0.716 30 20 HCED Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)n[nH]1 1779159425 JFECIYLCRZLXAN-JJOCEZFHSA-N 419.482 0.620 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC)nn2)C1 1779951042 RKQPTWQBDJTVNY-QLVMHMETSA-N 416.478 0.651 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)C1CC1)C2 1780735288 QDRZRCMBWUYOEE-IIBYNOLFSA-N 406.479 0.989 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782953671 PCCYQLOLAFQPKY-PBHICJAKSA-N 402.538 0.313 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc[n+]([O-])c1 1785493132 BTADAEHSIULMNQ-LFPQPFEKSA-N 415.494 0.385 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787048471 DLABIPHYZCHAHO-SZMVWBNQSA-N 418.494 0.452 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1788576619 WVCLDFJQOOMSBA-JSRQGNBESA-N 405.499 0.392 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344902 ZDYCZIRFGBJFOE-QEWYBTABSA-N 416.482 0.187 30 20 HCED Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COc4ccccc4C#N)[C@H]3C2)cn1 1792145285 RLBUPFLCJOGZLM-QRFRQXIXSA-N 423.473 0.964 30 20 HCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)n[nH]2)C3)cc1 1792423837 WWYIURVSLHOTGG-CWPLJXCYSA-N 409.446 0.823 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(C)n1)C2 1792484526 KDWSCQPMHYKVIV-TXFQXBMRSA-N 412.490 0.381 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(cnn3C)c1)C2 1793343393 WEHRXXDUQVBYIA-XUMLPFHTSA-N 410.474 0.815 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)n(C)n1)C2 1793351821 VDIPVDJSWYBZCN-CCWDJLKJSA-N 406.483 0.615 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@](C)(O)C(F)(F)F 1793692072 MBXCFQSGRQXLPH-QMZWZUABSA-N 408.417 0.462 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccncc13)C2 1793820955 BLYMVDJFNYQBDD-ZSBFGKGUSA-N 401.492 0.852 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nnc(C)s1 1794104113 NNJFQJYLDZVTND-LJGDNWOOSA-N 406.508 0.407 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccon3)c2c1 1794929107 ATRFVHFTWREQOG-FVCICTRLSA-N 406.402 0.940 30 20 HCED O=C(CN1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795429454 DDZCUIGOZHWFMK-XDWMUTNVSA-N 422.526 0.591 30 20 HCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCSC(=N)N)cc1 1795590722 CAXNQQLEMONRRP-ALXJQNPVSA-N 415.519 0.973 30 20 HCED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)on1 1795598108 ABJUXFQSFMBVHG-JLVBRIDZSA-N 403.483 0.397 30 20 HCED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2)C(=O)O 1795645942 WMNJXCOKGDOKTK-SFNKJDCFSA-N 414.462 0.019 30 20 HCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)ccc1F 1795691969 YSYNVIHHFOHJJJ-HBCWATKFSA-N 413.409 0.572 30 20 HCED N#Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CNCP(=O)(O)O)c1 1795966692 OALLQTXRETYXID-BTTYYORXSA-N 424.369 0.674 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796585344 WZUROANKNOZGCQ-XLMAVXFVSA-N 406.483 0.324 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1)C2 1797812164 YUAJQXNRTULTTA-KIBFHZNESA-N 402.451 0.814 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)[nH]1 1798183842 CNQRWBWRQKCODE-ZSBFGKGUSA-N 411.418 0.269 30 20 HCED CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1801029152 SAJFPDMSPATPHJ-QMHWVQJVSA-N 401.529 0.491 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)C1 1804853857 UDJWDTARJZZULI-OGZRUICASA-N 420.510 0.139 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)C=CC3=O)CC2)C1 1806030135 OAQCCFCWLYTURK-MRXNPFEDSA-N 403.479 0.734 30 20 HCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)CC1 1809601440 YSHLMJNVHKVABU-REWPJTCUSA-N 409.534 0.748 30 20 HCED Cn1ncc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1Cl 1811174804 YEZIZWMTKXIFOU-DYVFJYSZSA-N 415.837 0.876 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@H]2c2cccnc2)c1 1811541016 POZCARKNBMORHX-KXBFYZLASA-N 417.429 0.998 30 20 HCED NC(=O)CCC(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1812631268 AEUVVUQDJCFRTK-SOPRMWLRSA-N 414.510 0.825 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1814976537 UJUBXDQLIBSALD-NSHDSACASA-N 417.499 0.024 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815682278 UJWUIUMPJQXHCF-DKSCHZSNSA-N 417.499 0.214 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1nccn1)CC2 1819715876 CQIWCUVWSFQTIB-FZMZJTMJSA-N 404.496 0.920 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ncnn3c2)[nH]n1 1822201836 VEGHKKLDNVSKCJ-CQSZACIVSA-N 407.390 0.846 30 20 HCED COc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nn1C 1825669651 NYRSEGYTPVREOZ-SECBINFHSA-N 403.420 0.199 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2nc[nH]n2)CC1 1827344042 IQZURTWKMHABSN-WLMCBFPDSA-N 400.483 0.896 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902643 WHQXNKNTQPIJBL-KNQAVFIVSA-N 414.506 0.555 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830973465 XVKDNCCEPWKIFU-MBOZVWFJSA-N 406.483 0.492 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1831413766 HLSJEGKGTASNTA-DIJFTKHXSA-N 408.495 0.318 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1831420199 UQWCOYDDPRVXCK-DYESRHJHSA-N 419.478 0.508 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831424031 AXDVWSWVABMAEO-LAUBAEHRSA-N 422.526 0.316 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832934378 GJMMOIHJISEGSQ-LJQANCHMSA-N 408.524 0.718 30 20 HCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)s1 1833015369 IWHOHFHMNXHNHV-HXUWFJFHSA-N 418.519 0.649 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](O)C(C)C)CC2)CC1 1833074228 AQAGMAUTKMXHMN-QEVIJRNUSA-N 420.554 0.433 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833367832 HLNKDBDAIUNGGT-OAQYLSRUSA-N 400.479 0.631 30 20 HCED CN1CCN(CC(=O)N2CCC(N3CCC(NC(=O)CCC#N)CC3)CC2)CC1 1834604948 MTEQMLUMWOUEDT-UHFFFAOYSA-N 404.559 0.109 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834914583 ASIUQBDZCZYOAR-DDGWYSKLSA-N 405.398 0.237 30 20 HCED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1835233750 BMAKLQCVVICASU-OAQYLSRUSA-N 401.463 0.973 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(=O)N4CCCC4)C3)C2)CC1 1835338548 KZJIZIGGKADDOS-OAQYLSRUSA-N 418.494 0.149 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1835358582 GRSKOBGBQZECPS-FQEVSTJZSA-N 412.450 0.032 30 20 HCED Cc1ncoc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673057 UKCOSEBNBXUCDD-FQEVSTJZSA-N 419.482 0.335 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836132024 KJZKTJWLKXTREX-HXUWFJFHSA-N 403.483 0.503 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836191538 QHYIIVBGDVQDBG-UTKZUKDTSA-N 418.494 0.881 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836209629 WJMPLEVEUPSXFY-FXAWDEMLSA-N 403.483 0.503 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=C(C)OCC3)CCO2)C1 1836273242 DPONOLTXMDPQNO-JXFKEZNVSA-N 409.483 0.938 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1836861630 GCGODAUVXZUDSX-IAGOWNOFSA-N 419.522 0.550 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1CNc3ccccc3O1)CCO2 1837350730 FXNNDDUUVSMGQH-HRAATJIYSA-N 414.462 0.620 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@H](C)CC)C2)C1 1837396467 DEQIAKVYPNDNGY-JJDSTIRJSA-N 411.543 0.389 30 20 HCED Cc1nc[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563765 ZLLYDEBQGGTIIH-SWHKHVPSSA-N 415.450 0.500 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837919539 BJLBBLAZOOLSFS-GOSISDBHSA-N 407.858 0.750 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CC2)CC1 1838400786 VLEMPNZOCHNHRM-GOSISDBHSA-N 408.451 0.113 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1839174050 CCFZVUQMWDKAGH-NRFANRHFSA-N 417.462 0.661 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839223644 BUDLRVJQLVMWNZ-HNAYVOBHSA-N 405.455 0.348 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc(OC)c1OC)CCO2 1839375249 IVPFCKVVKQUEHO-FQEVSTJZSA-N 406.410 0.546 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1840175592 VQCZQSHRWZOPGY-HRAATJIYSA-N 416.478 0.232 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1840344688 OTAHVDCYQSKKKR-NRFANRHFSA-N 417.510 0.896 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840450083 RUYHFKGHPPUUIK-HRAATJIYSA-N 416.478 0.855 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840620470 NEMQSROCAXSVGO-PPRFWAEMSA-N 410.490 0.807 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CCC1 1840814120 PPLKEGNXLUTDSA-GWJNGDFSSA-N 417.510 0.608 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840842971 MDZNEWGARBLHJC-INIZCTEOSA-N 415.372 0.307 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccn3c(O)nnc13)C2 1841054342 OFMASCWGKUNGCJ-SREVYHEPSA-N 410.434 0.110 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)COC(=O)C(F)(F)F)C2 1841055137 YEFCWYXADJKPDA-PLNGDYQASA-N 403.357 0.154 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844694817 ICKSHHZHSRTCTB-IUOVYFEOSA-N 402.451 0.731 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1845188857 PCNFVJOACFKCTC-QGZVFWFLSA-N 406.527 0.335 30 20 HCED CCC[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847625671 ZDYKIGZASIUPMC-BZSNNMDCSA-N 411.458 0.875 30 20 HCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)CC1=O 1848091777 GPLVBOJIFNLKIS-BZSNNMDCSA-N 423.469 0.946 30 20 HCED Cc1cc(C)c(C#N)c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 22740605 MLYFCEPHMRQCMO-HNNXBMFYSA-N 408.549 0.994 30 20 HCED Cn1c(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 301480548 WDOZKZNDDWKIMC-UHFFFAOYSA-N 401.854 0.500 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 410123036 OCCWDASCHVCCRZ-YJBOKZPZSA-N 407.540 0.810 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)c2)CC1 439325683 KMIMZGKACJFHHV-HNNXBMFYSA-N 421.523 0.712 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1=O 440283462 OGKXTHPEEPUFMH-OAHLLOKOSA-N 408.480 0.121 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H](O)CN1CCOCC1 440990517 VEBQUWPWLVTHIS-INIZCTEOSA-N 404.467 0.435 30 20 HCED Cn1cnnc1-c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446527474 QDLZNFANDDNHHI-UHFFFAOYSA-N 411.466 0.495 30 20 HCED Cc1c([C@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C)cnn1C 469790608 KRDDDQNQELFCHN-OXJNMPFZSA-N 407.478 0.863 30 20 HCED C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 475596310 QEVLERGEGLAHKK-JQWIXIFHSA-N 419.912 0.429 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 481017014 QLDQACTXSXVYDL-RDTXWAMCSA-N 410.496 0.577 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 490064412 PYBXRDFUHVCTKB-MRXNPFEDSA-N 414.462 0.993 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 490797688 PVGCOGUUXXMGDO-UHFFFAOYSA-N 404.434 0.914 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2C)CC1 491123753 OMPWASQGVNTGCT-UHFFFAOYSA-N 415.494 0.082 30 20 HCED CC(C)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1nc(-c2nc[nH]n2)no1 494678048 AXQCFVWDVPBHQP-HOCLYGCPSA-N 415.502 0.834 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1 500513002 DJNXQCUYXAPKMP-UHFFFAOYSA-N 405.484 0.583 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H](C)C1 502009043 OGYSHEZYMHWRGB-OKZBNKHCSA-N 405.568 0.844 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)[S@]1=O 507755513 QBARYKDYCRPYEQ-WRWNQGMGSA-N 400.464 0.835 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cc2)cc1 513626202 VPGKFQZSZPWKPL-UHFFFAOYSA-N 407.430 0.837 30 20 HCED CCN(C(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)[C@@H]1CCS(=O)(=O)C1 513974908 VBRGWJCCRUYULF-BXTJHSDWSA-N 416.503 0.367 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)N1CCOCC1 514759590 CFQOJPINSCMDLP-UHFFFAOYSA-N 409.454 0.402 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1=O 514885285 XBKFWMRHNUPLRE-PBHICJAKSA-N 411.462 0.249 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1=O 520454105 SFBMOWSRTRYHOB-HUUCEWRRSA-N 420.416 0.432 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 523106545 ZZQKPHCVTLOLJZ-UHFFFAOYSA-N 424.479 0.856 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)c1 526096562 AARYJVYORAICND-UHFFFAOYSA-N 411.466 0.951 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 532314024 YHISRMLNFVRZFT-LBPRGKRZSA-N 414.447 0.579 30 20 HCED CC[C@]1(c2cnn(C)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 535882378 HBHCYLJKEXQDMQ-GOSISDBHSA-N 401.448 0.923 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCn2ccccc2=O)CC1 536093592 XJYDVTIGWRMHNV-UHFFFAOYSA-N 415.475 0.436 30 20 HCED N#C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccc(OC(F)(F)F)cc1 538427618 DZQZUBQUGVIHJL-LBPRGKRZSA-N 403.342 0.810 30 20 HCED COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C 539772491 FNTGGTJNYGZCFN-OAHLLOKOSA-N 422.507 0.588 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCSC[C@@H]2C#N)s1 541825294 RQGUYKNRMBQJPM-NSHDSACASA-N 409.580 0.860 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C[S@@](C)=O)cc1 543268388 ITCYJTNIVKAZES-XELLLNAOSA-N 401.510 0.315 30 20 HCED C=CCSCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 543745404 UZFZTDPTTRGHON-GASCZTMLSA-N 406.574 0.587 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 551000919 VNZVBOUPCZMFPD-QUCCMNQESA-N 415.538 0.937 30 20 HCED CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H]1c1ccnn1C 553879968 DQZMACCSTGGZER-VQIMIIECSA-N 422.493 0.880 30 20 HCED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561785641 UKHYSFSCKMVJGO-HUUCEWRRSA-N 416.457 0.312 30 20 HCED CN1CCN(C)[C@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 562009610 BLOMVKDOXDJGBY-MRXNPFEDSA-N 418.929 0.222 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2[N+](=O)[O-])CC1 564871422 HRTCRHDWNGWHQU-IBGZPJMESA-N 402.455 0.837 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 568821945 RBYUWSCLZNIZET-UHFFFAOYSA-N 407.496 0.810 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CCN1c1nccn2cnnc12 571368982 PGOIAUBMNBHWLB-LBPRGKRZSA-N 408.397 0.811 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)NCc3cccc(C#N)c3)no2)cn1 585711617 OOLCGQUIGHRQDT-MRXNPFEDSA-N 421.417 0.558 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCN2CCCCCC2=O)n1 589388579 AQAQJULHTMZGNA-UHFFFAOYSA-N 409.450 0.986 30 20 HCED COCCN(C(=O)CCc1c(C)nc2c(C#N)cnn2c1C)[C@H]1CCS(=O)(=O)C1 609155093 ILWDIBTTZYDYTB-INIZCTEOSA-N 419.507 0.813 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@](F)(C#N)C1 615825525 LKQUOVYYHXNEIV-HOCLYGCPSA-N 417.484 0.232 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 685181597 LCCQOMRNRWZZMH-GJZGRUSLSA-N 418.460 0.918 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(-c3ccc4c(c3)OCO4)no2)C1=O 726815404 KHBPBLBCSAFAJH-UHFFFAOYSA-N 414.330 0.485 30 20 HCED C[C@H](OC(=O)c1ccc(C#N)cn1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 730892936 ZIOMHNFFZVCVEC-LBPRGKRZSA-N 402.432 0.505 30 20 HCED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NC(=O)NCc1ccccc1 741339960 KDPTVZNDKPMRHM-BQOWYSNXSA-N 414.418 0.861 30 20 HCED N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 744007900 XIORLDMDTRRCPH-UHFFFAOYSA-N 421.456 0.077 30 20 HCED COC(=O)[C@H](OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 748417104 JXOCUTTUTWHPJV-MRXNPFEDSA-N 422.397 0.883 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2F)c1=O 758068651 NMXMITSLTCAVNG-GFCCVEGCSA-N 417.437 0.475 30 20 HCED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758584302 HSMOTSVKJMUVKF-UHFFFAOYSA-N 411.531 0.953 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758775006 IPPHMUYWYMSCRV-PMPSAXMXSA-N 411.503 0.080 30 20 HCED CCS(=O)(=O)CCN(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 760041507 QPLDLQJSOLSWMC-GFCCVEGCSA-N 401.510 0.397 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 761070557 BUBIGZXLQZSEFY-WCQYABFASA-N 403.443 0.356 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)NCCC(=O)N1CCN(c2ncccn2)CC1 761712477 VFFHUECVOKIOGD-UHFFFAOYSA-N 407.430 0.412 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)cn1C 766633120 PAYSGIVOKXHHHU-UHFFFAOYSA-N 416.507 0.215 30 20 HCED C#CCN1CCN(C(=O)Cn2nnc(Cc3ccccc3Br)n2)CC1 766754014 MAEDDTZFLSYUBU-UHFFFAOYSA-N 403.284 0.804 30 20 HCED Cn1ncc2c(O)nc(NN=Cc3c(N4CCOCC4)nc4ccccn4c3=O)nc21 769817712 ACZXBJXVOKYEDS-UHFFFAOYSA-N 421.421 0.359 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C)[C@H]1CCCO1 773802098 ZKMVGGVPRJGIIL-UKRRQHHQSA-N 403.435 0.641 30 20 HCED COCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(N)=O 775986541 LZTYXTWKLFRAKQ-PKJRHQKLSA-N 411.484 0.511 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)N(C)C 777444888 DWJGIZZUTRJVTL-AWEZNQCLSA-N 409.512 0.527 30 20 HCED CN(C)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 782678977 NKEDAHCZJUHDOS-CAPFRKAQSA-N 409.512 0.458 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 783479957 HEKYLGYCTHJWON-GFCCVEGCSA-N 419.381 0.610 30 20 HCED N#CCn1cc(NC(=O)C(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)cn1 784790805 OWFXFLSZUMWQRA-UHFFFAOYSA-N 407.434 0.611 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 785161879 WCPQPLXDWFMPCX-QGZVFWFLSA-N 415.446 0.559 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccn(CC(=O)OCC)c2=O)n1 789794697 IIHMSWVQXZLADR-UHFFFAOYSA-N 413.434 0.228 30 20 HCED COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793224568 UNUQIFZTHWNQDZ-GHMZBOCLSA-N 412.468 0.715 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCN2Cc3ccccc3C2)n1 793867807 SQXUAAOHWSCTEP-UHFFFAOYSA-N 409.490 0.623 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(COC)o2)c1=O 794644089 AZSRSRFKASRIFB-CQSZACIVSA-N 412.467 0.781 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(C)(C)N2CCOCC2)[C@H](C#N)C1 796492643 OFOJTTCGFNSJLA-MRXNPFEDSA-N 409.531 0.658 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cn1 801287859 JOJANIFQTUHBLB-FPAYPSAMSA-N 409.446 0.154 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)[C@H]1CCCO1 803216672 TXKLGQWNVAXWGL-AZUAARDMSA-N 415.490 0.311 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](N1CCOCC1)C(F)(F)F 806781018 UFJPSJAVVRDTRD-FWJVZWRSSA-N 405.377 0.075 30 20 HCED CC(C)(C)OC(=O)NCc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 807367465 TURNNEBDJQFLFI-UHFFFAOYSA-N 413.438 0.929 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1)[C@H]1CCCO1 809313013 RBRFFGBPLSTPHF-RTBURBONSA-N 420.554 0.370 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)n1 809539048 MNKBXLYIWLJRHU-RCCFBDPRSA-N 400.479 0.565 30 20 HCED C[C@H](CONC(=O)CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C 810817769 NEBCWXBLMFPQGA-GFCCVEGCSA-N 412.468 0.798 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)NC)c1Br 815860307 GFENSIOKGPWNAI-UHFFFAOYSA-N 409.284 0.819 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCN(O)C3=O)C2)s1 816757712 ZMVPPUZQZWESEF-OLZOCXBDSA-N 401.510 0.954 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)nc1C 816842473 SILBFKVXARUTHY-GMTAPVOTSA-N 409.493 0.536 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 820132514 LAYPRZOTIOJFNF-AMGRQBIBSA-N 408.524 0.569 30 20 HCED Nc1nc(Cl)c(C=NNc2ccc(-n3cccn3)nn2)c(N2CCOCC2)n1 915971865 CQNKHQFYSIRWPY-UHFFFAOYSA-N 400.834 0.971 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCOC 917352124 FUJTZWQHVNHVGQ-UHFFFAOYSA-N 411.405 0.824 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)CNC2=O)cc1 918613786 XLVUUKLJMITMAP-RCCKNPSSSA-N 421.479 0.770 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCN(C)C2CCN(C)CC2)c1 918700117 YONSVUWQMVOLMG-UHFFFAOYSA-N 406.552 0.696 30 20 HCED C=CCNC(=O)NC(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1080178538 TUICEKLAAPXCTA-ALYAQQCSSA-N 404.511 0.733 30 20 HCED NC(=O)N1CC[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1117721778 XDDFBACJRMCJES-AWEZNQCLSA-N 421.523 0.802 30 20 HCED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1234023785 MODNNNYIQGJOLM-HNNXBMFYSA-N 420.433 0.626 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC2(C#N)CCOCC2)C1 1251560253 YEKYMEUMXBUDKA-OAHLLOKOSA-N 402.517 0.389 30 20 HCED CN1CCC(C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1252404139 TYLVXDOOEAAHLI-UHFFFAOYSA-N 407.427 0.900 30 20 HCED C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)CC1CC1 1253563500 PKPDIOQLQPZORQ-UHFFFAOYSA-N 421.519 1.000 30 20 HCED Cc1nn(CCO)c(C)c1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1318269470 AVMRGCVHYMEDGP-UHFFFAOYSA-N 420.539 0.874 30 20 HCED N#CCSCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1321634726 XFTFLRIPEVKIAI-LBPRGKRZSA-N 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IRIJAJAPHWFILX-YLJYHZDGSA-N 421.498 0.278 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839888195 BXFUSFZOTVRQBK-YJBOKZPZSA-N 401.454 0.748 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1)C(F)(F)F 1839893063 KRWQBUPHYKCYPN-QGZVFWFLSA-N 414.384 0.974 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)o1 1840161436 OXJQEQMOZMLPDB-SGTLLEGYSA-N 411.480 0.626 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561462 LKVDNXACDLILHW-JOCHJYFZSA-N 418.490 0.446 30 20 HCED CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840813515 DIWBKHRGUCGEET-FQEVSTJZSA-N 416.482 0.623 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840873916 RFFZFVAKLREEEF-OFNKIYASSA-N 412.486 0.921 30 20 HCED O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302744 LGRCWIYLCPUFGJ-DKNGMTOASA-N 420.388 0.397 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302932 WKBQXBYNRLPIQH-HUWVGRHQSA-N 411.455 0.335 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1845188579 HZGQRCIDMUFUDG-UHFFFAOYSA-N 402.407 0.501 30 20 HCED Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1F 409569979 IQUFTAOQNHUPAW-KRWDZBQOSA-N 424.498 0.932 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(C#N)CC2)ccc1OC 434911566 CURZXLBLQBDARZ-UHFFFAOYSA-N 424.479 0.321 30 20 HCED Cc1cc(C(=O)N2CCN(c3cnc(O)nc3N)CC2)nn1-c1cccc(C#N)c1 437171557 LJUBSWVENPTDRP-UHFFFAOYSA-N 404.434 1.093 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)n2)c(F)c1 439208482 XJVGEUGQODRWOQ-HOCLYGCPSA-N 410.409 1.091 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1=O 440286864 ZCHXUVPTVIHXDO-SJORKVTESA-N 414.462 0.988 30 20 HCED Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N2CCOCC2)cc1 444499972 VAOCEECSHVTJEO-SFHVURJKSA-N 410.478 1.233 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ncn(C)n2)cc1 445188263 NZIMKBOWQRSFMB-LBPRGKRZSA-N 406.468 0.438 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446626517 VBDHLJSAARIBTE-JLAWEPINSA-N 417.510 0.978 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 465388253 QOVBUNCHGHTTJW-UHFFFAOYSA-N 401.448 0.171 30 20 HCED N#CC1(CS(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCCCC1 475781927 PRWGVEAXKPUFQK-HNNXBMFYSA-N 407.558 0.868 30 20 HCED CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 480394122 HHRFECJAVVEQQA-DLBZAZTESA-N 419.569 0.915 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 482204252 GRKYDRRRVKWJBL-WBVHZDCISA-N 420.535 0.842 30 20 HCED Cn1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1C#N 483298994 SFFUCTVYZMATBP-UHFFFAOYSA-N 415.475 0.734 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487509118 DDIUYAIVITZMBP-IRXDYDNUSA-N 404.492 0.878 30 20 HCED COc1ccc(CCNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1S(N)(=O)=O 489667383 QWJSUZYACBGAIR-UHFFFAOYSA-N 410.477 0.439 30 20 HCED COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CC2 491489239 ZKAKYFBASAOHPA-MRXNPFEDSA-N 422.445 0.938 30 20 HCED Cc1sc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 494537461 VDNIWCQORGLRMO-UHFFFAOYSA-N 420.516 0.931 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)C)C(=O)C2)cc1 505170795 ILPNILHZTRWWOO-UHFFFAOYSA-N 422.507 0.511 30 20 HCED CSCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505667621 ZOCJBBPWGBMHJH-UHFFFAOYSA-N 419.576 0.590 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@]12C(=O)Nc1ccccc12 513667319 SWVQHWXHAYKVRE-KSFYIVLOSA-N 407.474 0.413 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 516818199 FVDKCWUPIJUTGX-UHFFFAOYSA-N 411.465 0.253 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cc1 517001279 YNVSBPVSKMRDNM-INIZCTEOSA-N 416.434 0.897 30 20 HCED COCCOc1ncccc1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 519737548 YHCNAQZPPDQSLU-UHFFFAOYSA-N 421.417 0.814 30 20 HCED CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 539265471 QPWSAVYWOHATOM-APWZRJJASA-N 421.567 0.938 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1cccc(OC)c1OC 539690975 ZLEOWRMBVVQCHG-UHFFFAOYSA-N 401.423 0.306 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 540375211 XWEWOUIBDFCBMF-INIZCTEOSA-N 423.477 0.726 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cn1 545180697 ZOTZQLWVQSSZIR-QZTJIDSGSA-N 423.477 0.837 30 20 HCED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 550751797 PJXLGKOHUUTSLK-UHFFFAOYSA-N 424.461 0.338 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 561453668 ZTQQYAYYJLGBBQ-UOVPBQLFSA-N 414.506 0.066 30 20 HCED COC(=O)CN1CCC[C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 573707524 FGESKTBORUIUJU-QGZVFWFLSA-N 407.492 0.474 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)c1 577638931 DJLPIULAHXZULG-AWEZNQCLSA-N 410.400 0.355 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 578020915 OTLGKNNFUQUSKD-UHFFFAOYSA-N 402.432 0.778 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 578585102 UBNWGMNORRILMQ-UHFFFAOYSA-N 413.502 0.618 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2 585704528 ZNEGSNMHLULYKH-SFHVURJKSA-N 419.489 0.810 30 20 HCED CSCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 588800578 RUIAZVSDIQLWDU-HNNXBMFYSA-N 412.537 0.505 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 603555941 XUOCHANSAJYWTH-UHFFFAOYSA-N 404.489 0.612 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 609992249 JPPRCRDIFZPEPK-ZIAGYGMSSA-N 409.464 0.623 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 615254165 PCEQYUHVTZMAQL-UHFFFAOYSA-N 416.887 0.917 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2cccc(C#N)c2)cn1C 726642275 YVJOLOFXVYDANE-UHFFFAOYSA-N 419.463 0.128 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)c2ccccc2)cc1 728086477 NMZDHWFODDQCPC-UHFFFAOYSA-N 415.427 0.379 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 728573541 QFXSNXAYSGKMSJ-UHFFFAOYSA-N 415.885 0.226 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc1 730895416 KORPDTSBVOAERH-LSDHHAIUSA-N 407.448 0.305 30 20 HCED C[C@H]1Sc2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2NC1=O 732909117 YOUNIONQTPRPMH-ZYHUDNBSSA-N 407.473 0.699 30 20 HCED C[C@@H](CC(=O)N(C)CC(=O)NCc1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 742482018 FBPUGCSNIKSQDA-ZDUSSCGKSA-N 418.475 0.872 30 20 HCED C[C@H]1CN(C(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 745497854 URAUKVNTKCUNCW-OLZOCXBDSA-N 409.464 0.294 30 20 HCED Cc1oc(NC(=O)COC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c(C#N)c1C 746944756 RDOUHTRZVGDYJU-UHFFFAOYSA-N 411.374 0.509 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H](C#N)C1 749521050 MERMMSPHSYYJRZ-CQSZACIVSA-N 421.479 0.455 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2cnn(C)c2)c1=O 758049510 FWGXHGRODDBSOW-PBHICJAKSA-N 409.515 0.474 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c1=O)OCO2 758955370 OZHOGZOGVXRWNQ-LBPRGKRZSA-N 411.439 0.710 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 761036365 GEKRLAUAXJVSDD-UHFFFAOYSA-N 409.443 0.373 30 20 HCED CCn1cc(C#N)c(=O)n(CCCCCCn2c(=O)c(C#N)cn(CC)c2=O)c1=O 763388251 SGKJOHQFHRACRJ-UHFFFAOYSA-N 412.450 0.377 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OC2CCN(CC#N)CC2)cc1 770771533 OKRCMJYYDPFYSJ-UHFFFAOYSA-N 408.480 0.797 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1cc[nH]n1 772390168 XZHBRXYZCHYSMO-ZBFHGGJFSA-N 407.471 0.453 30 20 HCED CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 772658250 AZPJYBSAECVKKS-UHFFFAOYSA-N 405.929 0.999 30 20 HCED COC(=O)Cn1cc(C(C)=NNS(=O)(=O)c2ccc(Br)cc2)nn1 772830203 JBCJHLDLGJUEQJ-UHFFFAOYSA-N 416.257 0.916 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@H]1CCCO1 773797454 NGNUMTZVKFHKIN-GDBMZVCRSA-N 400.435 0.392 30 20 HCED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@@H]1CCCO1 775340099 KFXTYQOBYHAODZ-AEFFLSMTSA-N 408.476 0.627 30 20 HCED C#C[C@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)[C@@H]1CCCO1 776228594 ABWPWMWPFQYTJJ-ROUUACIJSA-N 419.503 0.738 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCc1c(C)nc2nc[nH]n2c1=O 777361523 WJKBBHRDADHXRQ-UHFFFAOYSA-N 420.433 0.976 30 20 HCED N#CC1(NC(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 784180262 ASSSKSHTNBWVKB-UHFFFAOYSA-N 404.448 0.611 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)C(=O)NC1(C#N)CCC1 787642775 GOKXSCPCFMMATN-OLZOCXBDSA-N 409.464 0.453 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)nc1 787787849 PKKXALNBUZFTQW-UHFFFAOYSA-N 404.434 0.097 30 20 HCED CN(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1 796612139 GZNBOGQFWTXUMH-UHFFFAOYSA-N 407.473 0.856 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 797674427 VDGVSMNZDBOFBM-UHFFFAOYSA-N 419.507 0.859 30 20 HCED 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C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833278497 AWNATCRKWSNIQR-NRFANRHFSA-N 401.463 0.584 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1833428929 VXCPGDIPKJUMMO-UHFFFAOYSA-N 414.466 0.917 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834019856 VSTLWHWYUCAOIU-NRFANRHFSA-N 417.462 0.661 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834189037 VFDBCFPXXJMPKZ-HSZRJFAPSA-N 421.453 0.909 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834591016 FVPVUZDASZISLY-OAQYLSRUSA-N 420.462 0.693 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCCCC4)CCO3)C2)CC1 1835132265 QCGPPWSKSDOQKI-NRFANRHFSA-N 404.511 0.623 30 20 HCED Cc1nccn1CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC#N)CCO2 1835364382 SQRWTDPHSFZXPH-FQEVSTJZSA-N 403.483 0.732 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835840472 UBTNSNCKSWPOQH-SUMWQHHRSA-N 414.553 0.750 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)ccn3)CCO2)C1 1836357617 HCIBCGDAUZAROW-VGSWGCGISA-N 415.490 0.752 30 20 HCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1)n1cnnn1 1836826422 UYXGWEWBRGBFSM-OAHLLOKOSA-N 400.483 0.646 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837814020 BMFMUFRIDVOPED-MGPUTAFESA-N 405.451 0.448 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n[nH]1 1838662901 NFKNAAWUKUVQDZ-NRFANRHFSA-N 409.446 0.974 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cncn4)C3)C2)cc1 1839362003 SHYULQCSVGXRLQ-OAQYLSRUSA-N 424.461 0.114 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489046 MLGYVISYOFEBBF-QFIPXVFZSA-N 421.457 0.918 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1839838457 IDWZCILXUKKHEO-UWJYYQICSA-N 409.527 0.961 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1839839130 VXALFYGTHBKWPU-MGPUTAFESA-N 406.483 0.263 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1)C(F)(F)F 1839891852 BSPWOKCXDQBIEI-KRWDZBQOSA-N 416.352 0.828 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1)N1CCN(C)CC1 1842920740 UMEFDQJEGIEOIU-KRWDZBQOSA-N 404.559 0.108 30 20 HCED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)CC1 1843808859 TVANKPSVPDCAQG-UHFFFAOYSA-N 417.429 0.692 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2)C1 1844928692 GTZXFLFFQOEZTF-SFHVURJKSA-N 413.430 0.870 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN(C)C(=O)C(=O)O)C2)c1 1845810852 KDLABRVPSHHGSK-CQSZACIVSA-N 412.446 0.674 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194607 WCHSZLBEDLZBCE-LSDHHAIUSA-N 419.478 0.971 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1846998496 CYVAOYFVLIMNQY-HOTGVXAUSA-N 405.495 0.831 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)NCC#N)n2N)c1 111175534 XMHWXHLVIWEOLT-UHFFFAOYSA-N 423.524 0.421 30 20 HCED Cn1cc(-c2nc([C@H]3CCCCCN3S(=O)(=O)N3CCO[C@H](C#N)C3)no2)cn1 409510567 MZQIWHVCSFSWPO-HUUCEWRRSA-N 421.483 0.856 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(OCC(=O)NC2CC2)cc1 409579598 WXSYWHUWGMHUIW-SUMWQHHRSA-N 408.480 0.464 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Cn2cncn2)CC1 427968863 FMAJYCXLSFYQAI-AWEZNQCLSA-N 402.480 0.755 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCS(N)(=O)=O 429471272 UCUIWQZBXAEFTH-UHFFFAOYSA-N 403.420 0.397 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 431305017 KYKHNICBPHRURW-UHFFFAOYSA-N 401.510 0.539 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2C2CCOCC2)CC1 432943352 LRLQHUMXJYLMQZ-UHFFFAOYSA-N 417.495 0.403 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 433826652 QSNPTTCILFTRID-ZDUSSCGKSA-N 412.468 0.186 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1=O 440281663 KZNYXIJNCACGKM-LBPRGKRZSA-N 411.256 0.332 30 20 HCED CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 441462266 AUVKBSZOHPFTBW-ZWKOTPCHSA-N 407.478 1.079 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 443187894 PRKLZEUGFILMIP-NSHDSACASA-N 421.387 0.913 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 443772699 OKHSSBLFLYENDG-UHFFFAOYSA-N 402.432 0.954 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 444736291 PBFLAXXMYNHEQG-GGPKGHCWSA-N 418.469 0.533 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)csc2C(=O)OC)CC1 445140223 OMSLJPBDPPUCOE-UHFFFAOYSA-N 408.480 0.228 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)on2)c1 447547594 DGSOZRUUOISNPI-UHFFFAOYSA-N 413.419 0.478 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 460585270 KNMGPCGQEPXAOG-ZDUSSCGKSA-N 420.477 1.484 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461361106 NHTRJKYYSMDHGR-UHFFFAOYSA-N 412.471 0.076 30 20 HCED CO[C@]1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCOC1 461791877 XGOPKYKIKQNTHV-SFHVURJKSA-N 403.826 1.258 30 20 HCED C=CC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 478300406 UQFJLJMBKKVXTR-UHFFFAOYSA-N 420.535 0.986 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccnn2C(C)C)c1=O 478762613 OBLNDELOYAEQCE-AWEZNQCLSA-N 417.535 0.751 30 20 HCED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481248170 WLSFDGJFQIQENA-CZUORRHYSA-N 424.548 0.993 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 485620144 MPMDYTYBTAIZKB-UHFFFAOYSA-N 412.450 0.665 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 487801489 PMFGMZVGPXIOAH-QGZVFWFLSA-N 416.526 0.823 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(F)c(F)c2)c1=O 489625885 VMQGCQSXZSVXRS-LBPRGKRZSA-N 405.426 0.523 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1 501199881 YIZJMBMXTOPUGP-UHFFFAOYSA-N 401.488 0.500 30 20 HCED COC(=O)C1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCS(=O)(=O)CC1 501380454 DSGVWGWOSFBQQB-UHFFFAOYSA-N 406.869 0.610 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 502305606 UDZQOVWSVDPJCS-FGTMMUONSA-N 414.462 0.480 30 20 HCED CN1CCN(C(=O)Cn2cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn2)CC1 506209886 XGLQSTNHLRTWNO-HXUWFJFHSA-N 418.498 0.857 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)c3cccc(OC)c3)CC2)C1=O 508540728 GODJZPACLVZEOE-OAHLLOKOSA-N 414.462 0.877 30 20 HCED CN(C)CCN1CCC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 511044953 JLCRLMCHZOQUGY-UHFFFAOYSA-N 406.552 0.863 30 20 HCED CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCCOC1 511636335 WCNUSOQKFYHWIB-WBVHZDCISA-N 423.491 0.885 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1Cc1ccon1 512720946 QDCTVUMUEQSRIO-UHFFFAOYSA-N 412.475 0.192 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)n1 517111370 UCHBMMATKXBOLV-UHFFFAOYSA-N 415.413 0.680 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(CC2(O)CCS(=O)(=O)CC2)CC1 521984678 ICMYUCLHHGYRTQ-UHFFFAOYSA-N 406.464 0.868 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 522629846 JFTMGZRQVYOGNN-HUUCEWRRSA-N 409.487 0.999 30 20 HCED CN(CC(=O)N1CSC[C@H]1C(=O)N1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 522788078 WPFWQDOIQSLPNZ-INIZCTEOSA-N 422.532 0.703 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 524281171 KAGSQWOYDDLQLL-UHFFFAOYSA-N 414.443 0.422 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 539271225 WHWJAMROLMNSCJ-AWEZNQCLSA-N 409.508 0.983 30 20 HCED COC(=O)C1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 542908201 LXZXREWQPVCADG-CYBMUJFWSA-N 409.464 0.311 30 20 HCED C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC(=O)N1C 554158496 KBZHVYMENNYLPT-DZGCQCFKSA-N 401.442 0.471 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 555755578 RXKGKBRNEICNLB-UHFFFAOYSA-N 400.523 0.902 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H](CN4CCCC4)C3)C2=O)cc1 574719142 VXKWXDQXKSDHAS-UXHICEINSA-N 423.517 0.720 30 20 HCED Cn1cc(C[C@@H](CO)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 576252586 UXNZLUHZNBAHFO-OAHLLOKOSA-N 405.480 0.193 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 580357575 KOLJXNUBYVPLHN-ZDUSSCGKSA-N 409.386 0.884 30 20 HCED Cn1nc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc21 588202230 ULSUCVMEMJSSDU-UHFFFAOYSA-N 403.446 0.805 30 20 HCED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589128953 WQNZCBZKJLAOFD-DYVFJYSZSA-N 412.494 0.671 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc(O)cc(C#N)c3)cn2)CC1 589179632 CRIHGLARAFKTEV-UHFFFAOYSA-N 401.448 0.993 30 20 HCED CCN1CCN(Cc2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)CC1 609342281 TYOLAZNKJZDLNR-UHFFFAOYSA-N 412.538 0.867 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CN[C@H](C(N)=O)c2ccc(C#N)cc2)c1 609676672 DJJMJWGHCCUNJJ-KRWDZBQOSA-N 401.448 0.221 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1Cl 609829010 JMPFTUROIHMQCU-UHFFFAOYSA-N 404.814 0.991 30 20 HCED CN(C)C(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 611428962 NHVFHQDMTCYLHV-KRWDZBQOSA-N 418.567 0.163 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(C#N)(c3ccccn3)CC2)cn1C 619729555 OVEMFELHAHHZKU-UHFFFAOYSA-N 416.507 0.876 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 727853570 MJGPHUQVYIIYHH-UHFFFAOYSA-N 404.430 0.695 30 20 HCED C[C@@H](OC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)CCC#N 729627869 YDNOPTLDRIQOPT-CYBMUJFWSA-N 410.448 0.925 30 20 HCED CC(=O)CCc1ccc(O[C@@H](C)C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732907903 GASMRQRZFHFSEW-MAUKXSAKSA-N 420.487 0.941 30 20 HCED N#C[C@@H](C(=O)C[C@H](c1ccccc1)N1CCOC1=O)C(=O)N1CCS(=O)(=O)CC1 732909977 IEOKIJPTVWUMEV-JKSUJKDBSA-N 419.459 0.536 30 20 HCED C[C@H]1CN(C(=O)COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 733832277 HYFZZLMAMAUUJU-XJKSGUPXSA-N 414.418 0.554 30 20 HCED C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc2)CCO1 737071398 KMYRKRQZEXAQSI-CYBMUJFWSA-N 411.466 0.776 30 20 HCED CCc1nsc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 742907073 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C[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828810546 LTBAYYVIZFUDAG-IERDGZPVSA-N 414.462 0.733 30 20 HCED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)C1 1829907327 HMDDAWRAWUVREI-JOCHJYFZSA-N 412.490 0.119 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1830064363 JNEVMVMHSKPJMN-OAQYLSRUSA-N 401.463 0.941 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1830708763 LFZSGIYJPCJVKA-JXXFODFXSA-N 407.467 0.336 30 20 HCED C[C@@H]1CCc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)n[nH]c21 1831213504 ONQZYYDZMLSKLQ-IVZQSRNASA-N 412.490 0.943 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)c3)C2)C1 1831391641 DUCHDGTXFKHDDF-UTKZUKDTSA-N 403.479 0.442 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831570863 OTOZEPUDLRYCMI-TWOQFEAHSA-N 407.467 0.320 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1832454642 VNQGLKJINVPJGG-IBGZPJMESA-N 406.508 0.395 30 20 HCED CCNC(=S)NCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833148856 GKCHIPPMMZFQTO-UHFFFAOYSA-N 422.599 0.592 30 20 HCED C[C@@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1833191596 OFZKYJPKPARVTH-UWJYYQICSA-N 400.479 0.389 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)c3ccco3)CC2)CC1 1833463863 DFDIFACMSKAQPD-UZLBHIALSA-N 417.506 0.923 30 20 HCED COc1nccnc1C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833969826 ZUMQWWJOHAYBNA-UHFFFAOYSA-N 412.494 0.974 30 20 HCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768004 WVWWTIACXIDRPV-HRAATJIYSA-N 414.462 0.175 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 1834897887 ZZUIYVLYZJVLQQ-SFHVURJKSA-N 418.542 0.423 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)Cc4ccccc4)C3)C2)CC1 1835346684 OVPGLZMSCZLXRF-GCJKJVERSA-N 413.474 0.350 30 20 HCED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677302 MGMFILDBQPGDHD-FQEVSTJZSA-N 418.498 0.070 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)n1cccc1C=O 1835952865 RAWYXSHUDMWASW-OXQOHEQNSA-N 402.451 0.622 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1836483392 ARNHDCJHMJOOMS-GUYCJALGSA-N 418.441 0.101 30 20 HCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1836861677 CNWKOBFGMJOWAK-UHFFFAOYSA-N 409.531 0.451 30 20 HCED CC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526805 GPBJWBLLBVBILP-PVQJYNNTSA-N 419.425 0.627 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837639643 NUFDSJGBOZLUQC-LPHOPBHVSA-N 423.539 0.290 30 20 HCED C=C(C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1)C(F)(F)F 1838623064 ZYUODSJSDKEXAW-BBRMVZONSA-N 419.444 0.826 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1839760012 XIHFJVFMJHRXJW-FQEVSTJZSA-N 404.463 0.200 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(CC)COC3)CCO2)C1 1839777527 VJPUQGOMPSATNA-IIBYNOLFSA-N 410.511 0.443 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1)C(F)(F)F 1839892134 VTSNYNJUHPCDRD-KRWDZBQOSA-N 416.352 0.828 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840163931 STZGGMGHLCDHCZ-XNJGSVPQSA-N 404.485 0.323 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840170652 RVDGECXNHFZRMK-OAQYLSRUSA-N 401.463 0.468 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@]1(F)Cl)CCO2 1840241949 DNSTVGHKESBMLY-KNCCTNLNSA-N 402.850 0.406 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1 1841825579 HXDIKBMYOGFJEQ-PLNGDYQASA-N 421.347 0.403 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CCN2C(=O)C=CC2=O)C3)ccc1F 1845202242 XMAJUTIGPUUPHD-UHFFFAOYSA-N 424.432 0.758 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CN2CCOCC2)C3)ccc1F 1845202659 WZDWIRHEFGFENO-UHFFFAOYSA-N 400.454 0.775 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)c1Cl 1848034464 UJZWVXPWYNITSM-KBPBESRZSA-N 415.837 0.579 30 20 HCED CCOC(=O)CCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25173147 MHWXXBFXMNFQAT-UHFFFAOYSA-N 422.507 0.324 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409597614 VRFCWJNUBMQVII-QGZVFWFLSA-N 403.464 0.678 30 20 HCED COC[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCCO1 435289632 OIKAGXDKCZRIQM-ZBFHGGJFSA-N 401.398 1.132 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@@H]2C)cc1 443259621 AEXPVTUUQJCWTP-SWLSCSKDSA-N 408.480 0.072 30 20 HCED C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 448417744 NLGKPYULNMYUJU-KKSFZXQISA-N 411.462 1.304 30 20 HCED COCCCN(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466064042 GTFZJQIPLPVKHW-UHFFFAOYSA-N 423.539 0.542 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 479115839 RFDPZYNJFHJLAF-OAHLLOKOSA-N 401.510 0.842 30 20 HCED C=CCN(CCOC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 482376945 IAVGAJSISLRFRJ-UHFFFAOYSA-N 423.535 0.961 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2c(-c3cnccn3)noc2=O)CC1 485293884 VEPWJIPAPLBZFZ-QGZVFWFLSA-N 405.418 0.702 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)OC)CC2)cc1 485465344 JVUWLYRQGVPNQX-UHFFFAOYSA-N 409.464 0.501 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485991098 QFMKGSCWNSKKRB-QGZVFWFLSA-N 422.507 0.120 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C2=O)cc1 486020634 SCQWAGFNQSMPNB-BZSNNMDCSA-N 408.458 0.951 30 20 HCED COCCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488681912 VYZZZGDSLRPNLD-MRXNPFEDSA-N 410.434 0.257 30 20 HCED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498335133 RNEZYHMLXKICHL-ZWKOTPCHSA-N 418.519 0.990 30 20 HCED COCCn1nnc2c1CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 499022164 FTFBWMDPCKJSTO-ZDUSSCGKSA-N 418.479 0.048 30 20 HCED COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1N1CCCCC1=O 508308504 ZHSCIWLQRDWARJ-UHFFFAOYSA-N 411.422 0.430 30 20 HCED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508496007 BSSFXYUUNQYVKU-XJKSGUPXSA-N 416.486 0.028 30 20 HCED C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508886173 XSLBPNWNSORLJD-AWEZNQCLSA-N 412.450 0.199 30 20 HCED N#Cc1ccsc1NC(=O)CCN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 511865629 QJPFCIRNAXPKNG-UHFFFAOYSA-N 403.464 0.242 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 524281074 FHAKJEKYBLVUDL-NSHDSACASA-N 414.443 0.422 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 543222253 PCTKFMKXZVATFI-BJJXKVORSA-N 400.435 0.647 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 553970011 PVIYSKMVWGFQET-UHFFFAOYSA-N 403.468 0.007 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1Cc1ccon1 556053189 NTBVUWXHMRRPIH-UHFFFAOYSA-N 406.876 0.910 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CCN1Cc1ccccc1 556141366 CUBSPYIXLFJATQ-LJQANCHMSA-N 405.458 0.638 30 20 HCED Cc1c([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C 556292862 VLYYQRKMVJIKDL-SCLBCKFNSA-N 408.462 0.695 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)CC2)c(F)c1 565443172 IVLHNSNAYNCKFE-IERDGZPVSA-N 416.453 0.800 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1=O 573214875 JGYJFSIPWPRTAO-UHFFFAOYSA-N 416.825 0.611 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)C1=O 573788174 TVTMLJHZTDOBMK-MRXNPFEDSA-N 405.426 0.596 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)cc1C 573888051 LLNSAZBHQFBQFD-UHFFFAOYSA-N 419.239 1.149 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(=O)OC(C)(C)C)CC2)c1C#N 577546419 NMOQWMSYUNYSOG-UHFFFAOYSA-N 404.471 0.097 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 584077107 AEEHGKGEFWGZIT-HKUYNNGSSA-N 422.570 0.827 30 20 HCED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 584852604 LTKIVUPCZHXMDZ-HUUCEWRRSA-N 407.496 0.374 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)C[C@@H](C)O1 589168416 GGAAAHMAKCZQIA-ZIAGYGMSSA-N 408.480 0.376 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1 589464701 ALFUHIRAADOBQD-UHFFFAOYSA-N 400.445 0.811 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1 603489443 IREPVFDNFJJDON-UHFFFAOYSA-N 402.432 0.995 30 20 HCED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 612272887 YFOLQTGQNTYEEX-LJQANCHMSA-N 420.491 0.798 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 615315124 DLTNERGJHSEHHA-MRXNPFEDSA-N 401.467 0.028 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615632934 YGWJBBMQASTIEU-SFHVURJKSA-N 424.454 0.419 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccco3)c2=O)c1 726581749 HMCFOGQOEGBSQO-UHFFFAOYSA-N 419.462 0.739 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2OC)CC1 728531179 BGGKYSHBKBMNBQ-UHFFFAOYSA-N 415.490 0.950 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c1 731127736 JXBYAEGGVSWZES-HNNXBMFYSA-N 412.398 0.922 30 20 HCED CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 733318641 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30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@H]3C[C@H]3N1C(=O)OC(C)(C)C)C2 1800451047 UURXBTQJXVNETO-CQSHOCRRSA-N 403.479 0.607 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2Cc4ccccc4CN2)C3)CCC1 1801981034 NLDZEWUUZOQXLR-IYWMVGAKSA-N 408.502 0.984 30 20 HCED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)C1 1802412371 DGUIRWVTNBRSHU-WIYYLYMNSA-N 416.522 0.340 30 20 HCED C=CCOCCCC(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806843744 ZQGWXAWTZWYNQH-INIZCTEOSA-N 420.510 0.799 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814557417 FXHJOERRAYAVDE-UONOGXRCSA-N 408.524 0.978 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1823087611 OHNMTPZIDFXVEL-UHXUPSOCSA-N 409.512 0.579 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CCC(CO)CC1)CC2 1825661499 UQPIRWOCRVFOIA-WXRRBKDZSA-N 405.476 0.942 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826827025 WAUXXOJSIRIHKZ-INIZCTEOSA-N 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C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835207881 RXRJEVBABHEFSL-OXJNMPFZSA-N 409.483 0.379 30 20 HCED Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835355127 VDOJFPZQCQPGQQ-HXUWFJFHSA-N 404.467 0.984 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(C)C)CCO2 1835880438 UGRPJBPKGFKEEC-NRFANRHFSA-N 411.543 0.814 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836842920 FDMJWTMGSLYIFI-FQEVSTJZSA-N 412.450 0.349 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836959195 FMNUNCZJWGWJRV-FQEVSTJZSA-N 415.425 0.847 30 20 HCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1837635032 YOEADFFVBFFVGQ-BLLLJJGKSA-N 421.523 0.701 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837919608 FSYUFAABEAHZKW-IFXJQAMLSA-N 422.869 0.238 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839414939 ITJNZWGLZFLOCI-IBGZPJMESA-N 405.407 0.947 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3n[nH]c4cc(Cl)ccc34)C2)C1 1839810029 ZSLAQXQHIHGFPO-FQEVSTJZSA-N 416.865 0.848 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840021108 VGYWFGRNAACACE-KKSFZXQISA-N 401.463 0.328 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cc3F)C2)C1 1840040499 OBFANMRXKUWNIX-IBGZPJMESA-N 424.812 0.637 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840163572 KIWKYZPMUMVCML-ZMZPIMSZSA-N 412.464 0.192 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1840175768 DSTCMFWCYABOLG-FOIQADDNSA-N 411.499 0.932 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815297 HWVHVGHXKTYWAG-FOIQADDNSA-N 423.466 0.698 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1840840637 YQYVYYNZORVDSP-NRFANRHFSA-N 414.462 0.523 30 20 HCED O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)C#Cc3ccc(Cl)cc3)C2)N1 1841261942 WFZODCXJJVYRDZ-OAHLLOKOSA-N 414.849 0.493 30 20 HCED 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CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 304931832 DGZNKECNVXFWSQ-YHUYYLMFSA-N 417.510 0.661 30 20 HCED COc1ccc(CN2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2=O)cc1 409499574 IAERCSPLCNGXCT-KRWDZBQOSA-N 408.480 0.199 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 433443661 NNPGXTPWAJAMKX-LBPRGKRZSA-N 414.465 0.655 30 20 HCED C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 443259771 BDKPVQZJJBZBGJ-ZUZCIYMTSA-N 400.826 0.977 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 444503281 UAFHEBRXGGZIST-UHFFFAOYSA-N 403.406 0.216 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)n1 444504245 ZBAKLCYUYMXHMH-UHFFFAOYSA-N 412.425 1.249 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 447202097 KJTJAJVRYKKOEX-DFEHZGFQSA-N 422.441 0.819 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)C1=O 466523617 ZHHPTECCOXSMQW-INIZCTEOSA-N 402.495 0.849 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[nH]1 478961262 ZRQVZYHALSOLNM-UHFFFAOYSA-N 402.432 0.804 30 20 HCED C=CCNc1nnc(S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)s1 479033789 WTIHGUJKTUVYPZ-NSHDSACASA-N 401.514 0.427 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)ccc1F 481527690 SHAVLAGHCNDQJU-UHFFFAOYSA-N 411.441 0.754 30 20 HCED C=CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 486375562 NHEPFCJRLXEXKO-GFCCVEGCSA-N 405.473 0.941 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@@H]1n1cccn1 494010752 LFBRTLBUWRJXCZ-LESCRADOSA-N 420.433 0.809 30 20 HCED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 503270104 JLZRGBCJUVNLDX-KGLIPLIRSA-N 410.272 0.187 30 20 HCED CN(CC(=O)N1CCC[C@H](n2cc(CO)nn2)C1)S(=O)(=O)c1ccc(C#N)cc1 505088765 CZIYQRXSGUNLRA-INIZCTEOSA-N 418.479 0.126 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCNC(=O)c1cc[nH]n1 505264920 NOWUSQJLBQCKJE-UHFFFAOYSA-N 419.401 0.953 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 507535764 OHLCGVKCDJHXCG-KBPBESRZSA-N 405.480 0.984 30 20 HCED Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)c1C#N 518850693 SYSBTLASKQCCTQ-ZFWWWQNUSA-N 406.512 0.791 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)cc1 538279652 OYXSPVRYEYMOIO-HNNXBMFYSA-N 409.508 0.860 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 540745844 ILLKQEGXCPYDMK-UHFFFAOYSA-N 408.480 0.218 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cccc1C(N)=O 543013125 XQEPCDLJVDOSTF-UHFFFAOYSA-N 421.457 0.949 30 20 HCED COc1ccc(C(=O)NCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1[N+](=O)[O-] 557747449 QQHHQGHVXDVDGC-UHFFFAOYSA-N 424.417 0.949 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n(CCC#N)n1 557801669 GURFZVOCGFJXJO-ZIAGYGMSSA-N 410.500 0.268 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC2 557869302 CDUYBEKATUJERX-IBGZPJMESA-N 423.521 0.727 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 559560912 PBLUMYRBYSBAIZ-UHFFFAOYSA-N 423.477 0.524 30 20 HCED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)nn1 563464132 LCSQDCGSLWQSBG-UHFFFAOYSA-N 400.395 0.478 30 20 HCED COCCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 588866539 ZCFIALCGUJQHHL-ZWKOTPCHSA-N 414.462 0.434 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H](O)COc2ccccc2)n1 589391174 FDFKDNFRCWYAGL-AWEZNQCLSA-N 406.402 0.634 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 609458864 ZGHNRBUECQSTCC-GOSISDBHSA-N 423.539 0.352 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(c3c(C#N)nnc4ccccc34)CC2)CC1 610128960 SGYMOELLMCCPMJ-UHFFFAOYSA-N 401.496 0.116 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 612352929 MFVSTWBHIJBOFG-UHFFFAOYSA-N 411.484 0.539 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2nc3c(OC)cccc3s2)CC1 728570652 JFEFUPKHARPTFA-UHFFFAOYSA-N 401.492 0.610 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 730657855 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Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc21 754384428 LPAZCYSZPXFTIX-LBPRGKRZSA-N 414.422 0.619 30 20 HCED C#CCOCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 755423148 SRHFKNCQNZZRAR-CQSZACIVSA-N 400.478 0.130 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](CC)c2ccccc2OCC)CC1 761038064 SAERQWBKYCYOLZ-SFHVURJKSA-N 422.551 0.738 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCn1cc([N+](=O)[O-])ccc1=O 761348398 MKNUIVZAHOCBEB-UHFFFAOYSA-N 420.403 0.429 30 20 HCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(N)=O 763459697 BDQSIXPVNHGMAQ-UHFFFAOYSA-N 412.496 0.490 30 20 HCED CC(=O)Nc1c[nH]c(C)c1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 763756020 LZZJUPQEMXSMOQ-UHFFFAOYSA-N 414.422 0.955 30 20 HCED CCOC(=O)CN1CCC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 766381767 MGDCBVIGMFFYPS-GDBMZVCRSA-N 423.491 0.796 30 20 HCED CCOCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 767373872 KYSGZIBQDDIMPJ-SWKXRBFHSA-N 417.528 0.805 30 20 HCED CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767675982 MEYPJCIKMCIPFI-RYUDHWBXSA-N 410.452 0.391 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1COC2(CCOCC2)O1 776946106 XILYSFKMGVRMLA-GJZGRUSLSA-N 402.455 0.490 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)CC(C)(C)C)CC2)o1 778488271 HUVATVBYNVWEOO-ZDUSSCGKSA-N 419.482 0.987 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCCOCC1 783850778 OAKAVZIEUUOTQI-QGZVFWFLSA-N 422.551 0.978 30 20 HCED N#CC1(NC(=O)COC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CCC1 784218073 VICJXWAOICJSIR-UHFFFAOYSA-N 405.476 0.636 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 784868935 OVLYLDGMYRNYCN-UHFFFAOYSA-N 417.487 0.903 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 785653050 AAOVDRVRZRBTMJ-INIZCTEOSA-N 400.435 0.221 30 20 HCED CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787761202 XXGKAZRPZKRFGP-AWEZNQCLSA-N 402.455 0.607 30 20 HCED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCO[C@@H]2C)O1 791072830 KIGNVEIJCKLUCM-LPMFXHHGSA-N 407.492 0.910 30 20 HCED CCCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1)[C@H]1CCS(=O)(=O)C1 801554677 NVMDBNATXLYDHK-APWZRJJASA-N 419.551 0.889 30 20 HCED CC[C@H](C)[C@H](NC(C)=O)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 803950236 CZFJNTFOUVUWCT-SJCJKPOMSA-N 405.455 0.597 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 804898276 ILHLSFNSSPPAEP-KRWDZBQOSA-N 424.542 0.895 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)o1 804997571 YTJQNFQTVPTWAO-UHFFFAOYSA-N 401.388 0.991 30 20 HCED CO[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1CC1 815852608 BLPCZMGCKIWFFH-ZESIPNTPSA-N 422.507 0.979 30 20 HCED C#CCN(C)CCCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 818606166 FRQPFSXNIGQWLI-UHFFFAOYSA-N 420.535 0.224 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc2nc[nH]n12 819980218 HNTRVHKLHIRHQG-NSHDSACASA-N 402.440 0.544 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 914651502 ADJZMHVIVATDMY-HIFRSBDPSA-N 405.432 0.076 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CC(N)=O)n1 918686289 PMPVZDHLEAKACZ-CYBMUJFWSA-N 418.479 0.604 30 20 HCED N#CCOc1ccccc1C(=O)NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 920101320 RLCOTXBKNHURQF-UHFFFAOYSA-N 413.411 0.945 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)COc3ccccc32)cc1 1318124651 CWBZSDNNUUCCIE-UHFFFAOYSA-N 413.455 0.754 30 20 HCED N#CCCCOc1cccnc1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1318204494 GBQIFQHIUXUFSO-UONOGXRCSA-N 406.464 0.738 30 20 HCED CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C#N)C1 1318361768 DQXNHDUUWTWGPK-CABCVRRESA-N 413.883 0.624 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)CC2)nc1 1324435707 ZKTOARMMYJICTD-UHFFFAOYSA-N 411.466 0.742 30 20 HCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1C[C@@H](CO)[C@H](CO)C1)CCCC2 1473674135 SGPFCYAELWJRSI-YESZJQIVSA-N 416.522 0.889 30 20 HCED CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 1475292954 VLNKVHKDZJDSGG-ZIAGYGMSSA-N 404.489 0.071 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC(O)(CC#N)C3)c2)CC1 1476106167 PEVPWKNTFLPSSL-UHFFFAOYSA-N 407.496 0.505 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1521063807 VGTLWQXACBENEV-DYVFJYSZSA-N 410.475 0.496 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCS(=O)(=O)C1 1555555442 UBVRFWALCMCUHF-HNNXBMFYSA-N 424.527 0.315 30 20 HCED CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1597338659 ZHDHIPZRIDRFAE-CQSZACIVSA-N 411.528 0.535 30 20 HCED N#CC[C@]1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1630966342 NTLJGWAQEHHFNZ-IBGZPJMESA-N 402.476 0.836 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1661419361 VSVNNSFOMJYWHX-UHFFFAOYSA-N 415.313 0.715 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1667980030 YDVPPJAQONLRCW-UHFFFAOYSA-N 408.415 0.990 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1695499761 LONUNOZFDOSWDC-MRXNPFEDSA-N 416.507 0.918 30 20 HCED COCCN1C[C@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1698076615 NCQKZXPKZFINQY-CVEARBPZSA-N 413.482 0.507 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CCO1 1711364523 YLADMCFODXAQJZ-OAHLLOKOSA-N 424.490 0.976 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778777417 KPMPDLLIWHTXNX-CSODHUTKSA-N 421.494 0.381 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1778886644 SSBUNFVVQUMCKR-KKSFZXQISA-N 401.463 0.510 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779251012 AVUONQKDADNTPR-JLBMLGSFSA-N 421.542 0.593 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529732 JGTHMGQZYKBWEQ-QGZVFWFLSA-N 410.377 0.830 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030710 ZODHRXJFNATNFR-YCRPNKLZSA-N 417.462 0.827 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)CCn4cncn4)C3)C2)cc1 1784335593 DNHJMHPKKMIHRI-NRFANRHFSA-N 408.462 0.612 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ccccn34)C[C@@H]21 1784484023 NZZWPYMHZJBFMR-DFEOGRTESA-N 410.474 0.966 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1784495474 NACYVHKJKAXLIZ-QRFRQXIXSA-N 417.506 0.961 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)C(=O)c1ccco1 1785139658 ZPLFTQYEGXGLNO-RXYBXQHJSA-N 416.478 0.914 30 20 HCED Cn1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1785378403 ALQHXOFEIQSDAR-JOCHJYFZSA-N 423.473 0.743 30 20 HCED CN(C)C(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786558699 ABYFIUDHWRKDGK-FHWLQOOXSA-N 412.490 0.289 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4ccnc34)[C@H]2C1 1788364615 XDFWWGYAMDCRIH-NEPXVJNWSA-N 410.474 0.966 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c[nH]c(=O)cn3)[C@H]2C1 1789295599 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QTDOOWSQSMZJOM-BEFAXECRSA-N 412.421 0.652 30 20 HCED COc1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1812872065 BAXRDDZPZQERTL-YWZLYKJASA-N 408.414 0.893 30 20 HCED CCCNC(=O)CCC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812874234 SJTXEZWLKRFQSV-IIBYNOLFSA-N 414.462 0.482 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812883348 YUCIDNVZGADDQG-FUHIMQAGSA-N 414.462 0.480 30 20 HCED NC[C@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452608 BNMSXKOGCNFRNS-AQFZOHKRSA-N 407.475 0.217 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1nccn1)CC2 1819715875 CQIWCUVWSFQTIB-BXUZGUMPSA-N 404.496 0.920 30 20 HCED COc1cc(C#N)cc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](N)CN)[nH]n2)c1 1820207754 YLPALOHVLRLFIW-RDJZCZTQSA-N 411.466 0.882 30 20 HCED COc1cccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825663566 JSQKMYKHPJSTJE-SNVBAGLBSA-N 400.416 0.861 30 20 HCED COC[C@H](NC(C)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)S)sc2C1 1826022758 BREUOIAYMDJJOY-XRNSZHNASA-N 400.526 0.525 30 20 HCED O=C1CC(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)=NN1 1828861953 BNGAJJZOGGJWOE-GNFOSXPUSA-N 416.526 0.954 30 20 HCED COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1829934065 KXLCGYJHOIUDPP-QFIPXVFZSA-N 400.475 0.920 30 20 HCED CC(=O)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)C(C)(C)C 1831086794 HOAPHQQAHHYKOH-YLJYHZDGSA-N 408.499 0.297 30 20 HCED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831630162 OVBFPPMBJSIHDZ-KKSFZXQISA-N 401.463 0.911 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(-c3cccc(F)c3)n1)CCO2 1833353989 HDUAEZMGUALSDV-FQEVSTJZSA-N 413.409 0.110 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn3C)CCO2)C1 1833910423 HDVBHIQSHRUPRD-OXJNMPFZSA-N 406.483 0.896 30 20 HCED CN(C)c1cccc(OCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1 1834756338 UMACRZZMKDXKGS-OAQYLSRUSA-N 416.478 0.501 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834870548 PUZFDCICGXWAIU-INIZCTEOSA-N 404.515 0.441 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1835104045 UURPUBTYBDGVNX-OFNKIYASSA-N 412.486 0.921 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1C(F)F 1835345517 OTFLDCCWJZSIOW-LJQANCHMSA-N 423.420 0.960 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1835353873 FQLKMDLNAJFUSG-FXAWDEMLSA-N 401.467 0.232 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)CCO2 1837292149 FQWHVUAPWUAJFZ-UXHICEINSA-N 414.418 0.091 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncc4O)C3)C2)c1 1838738091 PSXLNPCQDWYGAG-HXUWFJFHSA-N 411.418 0.371 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097165 BJGJRBHCSXKVME-PVMZZNRQSA-N 413.446 0.330 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)cc1 1839361728 ADUZZZXHZCLRJT-JOCHJYFZSA-N 423.473 0.719 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1840158270 JSBMJANIGSFKGD-NQYLQCIDSA-N 422.503 0.601 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1840163086 CXNHDSSTXWBQIA-DJJJIMSYSA-N 422.482 0.862 30 20 HCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C2)CC1 1840164729 PSYFIEBWKDTFBJ-GUYCJALGSA-N 400.497 0.104 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840295550 VGMFNRPNLQQQKY-LEWJYISDSA-N 424.494 0.252 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840573546 WOWGTPUMAONNJP-AQZVRURSSA-N 423.535 0.197 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840838613 RQBCONGPCASRGQ-SHUPZWFRSA-N 411.455 0.275 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840843606 DSVGZWOVMKQUDY-OAQYLSRUSA-N 414.437 0.957 30 20 HCED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2)c1cccs1 1843418652 SRRLXOOMXCSYJE-SHCNBLLESA-N 419.503 0.341 30 20 HCED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282755 DEWZCVGRLJOUAJ-UHFFFAOYSA-N 406.552 0.372 30 20 HCED O=C(NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1)c1cccnc1 1848139059 YNJVPKAHFXCIKW-OALUTQOASA-N 424.501 0.712 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)N(CC#N)c1ccccc1 19611105 UEAYUYPQXXTFTL-UHFFFAOYSA-N 406.420 0.670 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 31718508 AYKCMMQLXLGAFY-UHFFFAOYSA-N 415.475 0.734 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 110844769 KFUMHLYFLFPPCL-INIZCTEOSA-N 408.524 0.468 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 409511547 QFUNVFWWEIQMMV-TZMCWYRMSA-N 409.472 0.570 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CCC1 430974875 FSTROOLCAYSAOE-UHFFFAOYSA-N 413.499 0.909 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 431952008 DMNFAINLSUQUKZ-UHFFFAOYSA-N 413.459 0.733 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 433485523 HCMWMKIMRSDYFY-MRXNPFEDSA-N 415.537 0.693 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1=O 440252052 DTMCKCJXACQJHE-IBGZPJMESA-N 414.506 0.745 30 20 HCED CC#CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 440696147 IDMDCIDSCNLKDR-UHFFFAOYSA-N 406.508 0.481 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)n2)c(F)c1 442378097 HZBGSGVIUVCDCR-ZBFHGGJFSA-N 424.436 1.339 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460593079 QTFBCMRNARGXBH-ZDUSSCGKSA-N 418.479 0.668 30 20 HCED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1=O 467211915 QGGGNWXNSZLGMI-UHFFFAOYSA-N 422.413 0.531 30 20 HCED CN(CC(=O)NC1CCC(C(=O)NC(N)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 469923611 AUVODLLWDJHHLW-UHFFFAOYSA-N 421.479 0.049 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 470949482 WTSLPTORTDRVCP-ROUUACIJSA-N 404.492 0.845 30 20 HCED COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 471713679 NWXBIBFRCZFVRO-UHFFFAOYSA-N 417.491 0.975 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N[C@@H](C)CC)c2)C1=O 478845685 WIDZQTKLOMRDMU-LBPRGKRZSA-N 422.463 0.679 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 482399787 CPYALBNLWXHPAL-LRDDRELGSA-N 418.500 0.986 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@H](C)[S@](C)=O)cc1 484552111 LNIOHDYAPFCDPZ-NRRJATNASA-N 415.537 0.705 30 20 HCED C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)c(OC)c1 500327462 XBLFJUVUCSTZEU-DLBZAZTESA-N 413.540 0.669 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccnn2C)c1=O 502014943 LDOFGAFDMIVEIF-UHFFFAOYSA-N 403.508 0.099 30 20 HCED C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507764881 ZCZFVUCDVSNIGI-YOEHRIQHSA-N 409.450 0.399 30 20 HCED C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508865124 SHBPGWQXGOAXNB-UHFFFAOYSA-N 424.505 0.991 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 509269751 LXQGCFFDWVJUDB-LBPRGKRZSA-N 408.440 0.932 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 511685689 HLBPBGUYNLVUMS-NSHDSACASA-N 416.406 0.496 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C2CC2)c1=O 512786314 YOUBRBFGXNHEIX-UHFFFAOYSA-N 415.544 0.540 30 20 HCED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512884454 WVYJAAQBJDNGHD-UHFFFAOYSA-N 414.397 0.139 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)(C)CN(C)C 513468702 JIWIDVDDNLJFQJ-CRAIPNDOSA-N 413.522 0.868 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CC2 514944469 GYQMRMIQSPBYPI-ZWKOTPCHSA-N 407.478 0.254 30 20 HCED COC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 515784875 ATDIWPKZCVHIID-UHFFFAOYSA-N 414.443 0.887 30 20 HCED C=CCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)[C@H]1CCS(=O)(=O)C1 520063698 OOGHWWSBESJCCC-RZLSGREXSA-N 401.554 0.914 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)CCC#N)CC2)cc1 523323635 VTGUCPCOAYUNAD-UHFFFAOYSA-N 406.508 0.980 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O)[C@@H]1CCS(=O)(=O)C1 535323339 SAXPEIIYDYWTPL-NXEZDXNNSA-N 411.524 0.935 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 547319176 NAFLQBGHNOEMQX-CQSZACIVSA-N 403.468 0.993 30 20 HCED Cc1cc(NC(=O)C(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)nn1CCC#N 556317317 WXLPOKIPBHVJSH-UHFFFAOYSA-N 412.425 1.473 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCCCC1 557721605 JGIKOHMYJBXFQS-UHFFFAOYSA-N 408.480 0.629 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)C1=O 559370459 OOHJOLJXPUDCGZ-KRWDZBQOSA-N 406.527 0.383 30 20 HCED CC#CCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 565267517 OIKAIBSAYXNDRE-UHFFFAOYSA-N 421.519 0.790 30 20 HCED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)Oc1ccc(F)cc1 565441416 BHADIHQKYFFJHM-LBPRGKRZSA-N 402.430 0.977 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(OC(C)(C)C)nc1 567647479 VCTSMOAARRAWDU-UHFFFAOYSA-N 413.482 1.143 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccccc2F)c1 567653113 IRMMLWKXBBOUMH-UHFFFAOYSA-N 404.423 0.522 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCOc1ccc(C#N)cc1 570121996 SJSLZYDXLVVTMC-INIZCTEOSA-N 409.512 0.897 30 20 HCED C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 579630735 ZMPUIPTTXKTHLU-HNAYVOBHSA-N 423.521 0.891 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)cc1 580351169 UPDVJRVINNDQTB-UHFFFAOYSA-N 423.517 0.720 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 582935576 ROGUAVWIJDSKCB-MRXNPFEDSA-N 424.509 0.467 30 20 HCED C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 583708705 QVRLQWBTKGGPEG-HUUCEWRRSA-N 417.558 1.127 30 20 HCED C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC1CCN(CC#N)CC1 588127388 FTWVCAOWEVSAPD-GOSISDBHSA-N 412.538 0.417 30 20 HCED N#Cc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1Cl 603647236 YPDVGDIVOBHSHT-UHFFFAOYSA-N 405.842 0.747 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 603785172 YDWOJGIOYTYJDQ-UHFFFAOYSA-N 404.492 0.833 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 609109528 RGVYXLXSOGONMG-GOSISDBHSA-N 423.473 0.347 30 20 HCED N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 611533126 FVGGCSKAXHDEJB-AZUAARDMSA-N 423.535 0.619 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 612724886 UEAYOGAHTWAITC-LBPRGKRZSA-N 411.422 0.447 30 20 HCED C=CCc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 613740535 GOCWWOQPSSEAJK-HNNXBMFYSA-N 410.492 0.808 30 20 HCED CCn1c(N)c(C(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(O)nc1=O 679537544 DUPHXPOKTRGMFQ-HNNXBMFYSA-N 414.441 0.755 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1=O 726043475 OBLIDSAZTOBVAJ-VXGBXAGGSA-N 405.382 0.911 30 20 HCED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN([C@@H](C#N)C(C)C)CC1)C2=O 731847641 ZLECECUVVOZDHE-NGEICVOHSA-N 404.515 0.684 30 20 HCED Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)nc2c1c(=O)n(C)c(=O)n2C 738861984 XMDPCVRYOSJETE-GFCCVEGCSA-N 421.413 0.996 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 741141512 ALHRYVZEXZUWBV-UHFFFAOYSA-N 410.477 0.092 30 20 HCED Cn1cc(N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2=O)cn1 749978826 ZIIRFAWZPDBOKZ-FQEVSTJZSA-N 407.434 0.365 30 20 HCED COCCN(C(=O)CON=Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 754276914 UOWUQOBZNODIAL-HNNXBMFYSA-N 414.480 0.716 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1 761029380 OKPUAXHADHDBEX-UHFFFAOYSA-N 421.548 0.734 30 20 HCED C[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 764681351 AWEOWZMVEORJKQ-MRCNATBGSA-N 422.507 0.979 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 766608605 SPLXUOXWOUVNEJ-QGZVFWFLSA-N 416.453 0.541 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C1CCN(C)CC1 767885578 WJNUQVCJIZADES-UHFFFAOYSA-N 415.544 0.438 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(F)cc2C(F)(F)F)c(=O)n(C)c1=O 771898350 XHUWFDFJBUTASC-UHFFFAOYSA-N 408.333 0.554 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)C1=O 779537241 LDYJXBUKMWGWOZ-CYBMUJFWSA-N 408.455 0.725 30 20 HCED 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N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNc3ccc(F)cc3)C2)C1 1835353671 ATYRWWFCKGWUSF-HXUWFJFHSA-N 404.442 0.998 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC[S@@](=O)CC)CCO2 1837247205 VBLYUFZWWYYPSJ-NGOKVRLYSA-N 412.552 0.795 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837393389 QFDOQBYSDIRTOC-DTBAYKQASA-N 410.486 0.908 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1837397133 MWLBLWDPJVEQFT-UWJYYQICSA-N 420.510 0.221 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)Cn4cncn4)CC3)CC2)CCC1 1837966258 IOZMLZWAYAKPQX-UHFFFAOYSA-N 400.483 0.971 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)CCC1 1838340814 AZXONBLZLFXIBA-FQEVSTJZSA-N 400.435 0.084 30 20 HCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c(-n2nccn2)c1 1838630419 JCJYYIPBCIVYBD-OAQYLSRUSA-N 424.461 0.559 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838740796 UWEDGUSNNNNABA-QRWLVFNGSA-N 403.483 0.297 30 20 HCED 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C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1 1840841740 SWZGJSJMBCMESR-NQIIRXRSSA-N 400.479 0.341 30 20 HCED O=C(CN1C(=O)C=CC1=O)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841263041 SXYMHTSQDZIZLQ-UHFFFAOYSA-N 411.845 0.820 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)Cn2ccncc2=O)C3)c(C#N)c1 1845139661 RBGORMZKCGCONG-UHFFFAOYSA-N 421.457 0.570 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196964 GWBHITLSTISJGM-CQSZACIVSA-N 405.451 0.677 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@H](C(=O)OC)C1 1847258931 JXYZQTGMARFCJZ-GVVOSDJISA-N 403.479 0.636 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1848063283 RKKQPLWXGYDXNT-GJZGRUSLSA-N 403.508 0.751 30 20 HCED C[C@@H](OC(=O)CNC1=NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCCCC1 6101150 BAJBUBIXZCKUAR-CYBMUJFWSA-N 418.475 0.999 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 14769194 GKSUMESICUVZKZ-KPZWWZAWSA-N 409.464 0.714 30 20 HCED CN(CC(=O)NCCC(=O)Nc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1 45830048 MEBXMHHWRQYKRA-UHFFFAOYSA-N 401.448 0.719 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)cc1 409593193 HAZDGGVOTAFUMM-ZDUSSCGKSA-N 404.514 0.037 30 20 HCED CN(C)C(=O)NCCNc1cc(C#N)c([N+](=O)[O-])c(NCCNC(=O)N(C)C)c1 428151277 AKMBQVYHPQNPJZ-UHFFFAOYSA-N 406.447 0.833 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 435019762 LGFOBTKXGBFIRH-AWEZNQCLSA-N 424.479 0.463 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1=O 440264350 FDLPXSKWXMLROL-AWEZNQCLSA-N 415.475 0.819 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 442307169 OJFAXEIRGWSVIE-UHFFFAOYSA-N 423.420 0.767 30 20 HCED Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)NCCCN(C(C)C)S(C)(=O)=O 443551876 MDYBTMCHXJIXRP-UHFFFAOYSA-N 419.507 0.753 30 20 HCED Cc1ccc(C(=O)N(C)CCN2CCOC(C)(C)C2)cc1S(=O)(=O)NCC#N 447661144 VIBVCNMWJSXNIW-UHFFFAOYSA-N 408.524 0.980 30 20 HCED COc1cc(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)sc1S(N)(=O)=O 461748285 JNUDWQKLGSCIBI-UHFFFAOYSA-N 418.460 1.417 30 20 HCED COC(=O)CCc1nnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 465255537 ONOHIJLHRSLJRU-NSHDSACASA-N 416.467 1.048 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCN1CCOC(C)(C)C1 468979397 PTZNQZNBTVFIFN-HNNXBMFYSA-N 408.524 0.794 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CC2)c1C#N 472196337 GFQVNHGMWJXTTN-UHFFFAOYSA-N 420.539 0.453 30 20 HCED CCN(CC)CCO[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 472281070 WVHDPLQICVFJOP-SFHVURJKSA-N 418.542 0.936 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)Cc1ccccc1 479041360 OZGLLSWLVXYGRR-UHFFFAOYSA-N 406.490 0.850 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N(CCC#N)c1ccc3c(c1)OCCO3)c(=O)n2C 486202178 ZMWWMLCKMNKSCW-UHFFFAOYSA-N 424.417 0.152 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 504124615 LMUUKJMWDJGDML-DZGCQCFKSA-N 413.521 0.651 30 20 HCED CC(C)(O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505515945 PLGXOJAWTQGYHB-QGZVFWFLSA-N 413.478 0.678 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)NCCF 506447650 NNQUDMDGAPWOBC-ZDUSSCGKSA-N 417.441 0.798 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@H]1[C@@H]1CCCO1 507342769 YRUQCAVTQCKBCU-WMZOPIPTSA-N 403.435 0.928 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 507687599 LHGJVNFECMMUTN-YLJYHZDGSA-N 413.522 0.822 30 20 HCED COCC1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 511844987 UVPDUORGYBJADO-UHFFFAOYSA-N 423.491 0.905 30 20 HCED N#Cc1cccc(F)c1CC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 512101893 VUDKLKSFQWALFN-KRWDZBQOSA-N 423.510 0.978 30 20 HCED C=CCN1CC[C@H](N(C)c2nc(OC)nc(N(C)[C@@H]3CCN(CC=C)C3=O)n2)C1=O 513060544 XPDXSMIJJVCHHA-GASCZTMLSA-N 415.498 0.326 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 513292214 XMKXAYIEERZTKU-UHFFFAOYSA-N 415.494 0.211 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(CC#N)CC#N)c([N+](=O)[O-])c1 522205650 RFIVORVSNRQXLX-UHFFFAOYSA-N 409.424 0.880 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 531793708 ZZLIPSADBXMWRD-RBSFLKMASA-N 406.512 0.924 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(Cl)c2F)c1=O 531842819 GUIKKTXHLJOLFQ-UHFFFAOYSA-N 409.870 0.988 30 20 HCED COC(=O)c1csc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 532884864 RPLUAWLIOIHHBD-NSHDSACASA-N 414.447 0.872 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 538590372 KLWZKLOEFWGFGO-UHFFFAOYSA-N 410.496 0.382 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(S(N)(=O)=O)CC2)cc1 539348582 QKMAMHNJSVVVKT-UHFFFAOYSA-N 416.525 0.778 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 541362103 VNCKIZCXHDLBNJ-CHWSQXEVSA-N 411.480 0.802 30 20 HCED C=CCNC(=O)CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 542540016 VZSVJQPAKIWFCL-MRXNPFEDSA-N 406.508 0.855 30 20 HCED COc1ccc(C(=O)[C@@H](C#N)c2ccncn2)cc1S(=O)(=O)N1CCOCC1 546152497 CIDSVAPGINGMQF-AWEZNQCLSA-N 402.432 0.996 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(CC)Cc1ccc2c(c1)OCCO2 551230911 GFXSDHUENDHUAT-UHFFFAOYSA-N 422.463 0.763 30 20 HCED N#Cc1ncn(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 553166802 YFTJPGUJOBMNLM-UHFFFAOYSA-N 408.509 0.745 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)C2=O)cc1 558048077 VYBRDFHRNCLTLP-CEXWTWQISA-N 410.474 0.849 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H](C)S1(=O)=O 566710441 ZQDANAXFNAMHNZ-RYUDHWBXSA-N 419.438 0.856 30 20 HCED Cc1nnc([C@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 567081884 JSBKVSTXOHVEQF-NSHDSACASA-N 402.484 0.286 30 20 HCED Cc1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1S(N)(=O)=O 570491838 VYLJNCAAYDRKDZ-UHFFFAOYSA-N 422.488 0.109 30 20 HCED CC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CCOCC1 577496417 FYQRXSVBNKISID-QGZVFWFLSA-N 402.499 0.570 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C)[S@@]1=O 577803959 MBOAHPNDPJHYEP-HSRKRZFJSA-N 400.464 0.835 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2nccn2CCc2ccccc2)C1=O 581215622 PTDSPMPYSQWBHU-GOSISDBHSA-N 409.490 0.987 30 20 HCED CS(=O)(=O)Cc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 581637205 JZPVFRBJPIYCGE-UHFFFAOYSA-N 421.500 0.698 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)C1=O 581904091 ZOYVVPSHAWUEMH-IAGOWNOFSA-N 404.511 0.529 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 586871632 NEXNUQUCRDCRCK-HNNXBMFYSA-N 409.487 0.474 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 588126637 NUMQFTCFHRMVGP-UHFFFAOYSA-N 414.897 0.964 30 20 HCED COCCCS(=O)(=O)NCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610912756 BUTQVHKRUCWKEW-UHFFFAOYSA-N 411.484 0.028 30 20 HCED CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 727718949 ZKLJCXZKGIRPCP-UHFFFAOYSA-N 413.521 0.510 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 729256921 MRBZISDLRPJKLU-UHFFFAOYSA-N 418.450 0.899 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CC(C)C)c2=O)cn1 732561174 ILZDPKSWIVBUDC-AWEZNQCLSA-N 417.535 0.436 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 733149290 DPIUDDQRLPSUDE-CQSZACIVSA-N 418.416 0.433 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NNc1ccc(S(N)(=O)=O)cn1 737755796 GNDDUKBMXJOQHH-UHFFFAOYSA-N 421.382 0.925 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 745484232 UPPDDFNJKJGYJV-STPMZVSXSA-N 403.416 0.333 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)c1 749871245 OZNIUQUFJJMKSB-MRXNPFEDSA-N 411.483 0.998 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCCn1ncc(C#N)c1N 751840301 QUKFGVNFKISCFE-HNNXBMFYSA-N 423.520 0.980 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 752579708 LJMFBQOKVIFMTP-GFCCVEGCSA-N 405.407 0.612 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4c(F)cccc43)nc2)CC1 753955922 RPCSOACGXSBHPO-UHFFFAOYSA-N 418.454 0.925 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C(C)C)c2)c1=O 758041211 PQYGTHKJSGVGSJ-UHFFFAOYSA-N 421.482 0.733 30 20 HCED CCOC(=O)N1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 763374957 WGWSCOYQUHNJIV-UHFFFAOYSA-N 411.422 0.687 30 20 HCED CCc1nnc(S)n1CCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763427513 TZYUKFABZKIJEZ-UHFFFAOYSA-N 411.451 0.336 30 20 HCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccn(C)c3)c2=O)cc1 763435930 BJRBZJPHKUGTIU-UHFFFAOYSA-N 408.483 0.885 30 20 HCED C[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 764687248 VKSHVMMUEWDIOK-NJZCHHPOSA-N 422.507 0.979 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](C)Sc1nnnn1C1CC1 766986124 BOGRPUSOPSMUFH-VIFPVBQESA-N 408.465 0.874 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 767625596 BLVQWUMEUOVQFP-SJKOYZFVSA-N 412.427 0.867 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cncs2)c1=O 767874572 XZEQDNCPLFMSJY-UHFFFAOYSA-N 404.517 0.598 30 20 HCED Cn1cc(-c2cc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)on2)cn1 769046347 UGAFRWQYDDCBFG-UHFFFAOYSA-N 401.404 0.968 30 20 HCED COC(=O)C[C@]1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCOC1 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N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832494633 YPKGRSNPDSYQMW-RXVVDRJESA-N 415.446 0.587 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1833465334 YSJNEQOMTPBEOY-HNNXBMFYSA-N 415.494 0.406 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCN3C)CC2)CC1 1833623229 ORUVKMPKQCCSOT-PXNSSMCTSA-N 404.555 0.691 30 20 HCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)CCC1=O 1833688412 MKAFNCCPBNTIEZ-UHFFFAOYSA-N 413.522 0.580 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn(C)c2)CCO3)c1 1834173446 AMOHRBQRTKETKA-JOCHJYFZSA-N 423.473 0.984 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1834383081 AULSNRNHPNYAPK-JOCHJYFZSA-N 408.458 0.391 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(=O)cco2)CCO3)c1 1834605700 BVJVGMQDRFZPKQ-FQEVSTJZSA-N 412.402 0.223 30 20 HCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1834944246 YMRQIZKSGJQJTG-HXUWFJFHSA-N 420.897 0.843 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3n[nH]c4ccccc34)CC2)CC1 1835562048 RLBLOSZLMJGXEQ-UHFFFAOYSA-N 423.473 0.836 30 20 HCED C[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835752553 NFDKNTMKGTUZGK-KRWDZBQOSA-N 405.539 0.637 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836109719 GMCQFRBZNTZURO-FQEVSTJZSA-N 416.503 0.439 30 20 HCED COC(OC)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836169108 YYUREGMRUJOQKM-UHFFFAOYSA-N 403.483 0.690 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3cccnc3)CC2)CC1 1837122564 FAPSQLBXHWDOKW-UHFFFAOYSA-N 413.478 0.724 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1837405235 KILGYGTVJGWGPS-XMSQKQJNSA-N 423.554 0.502 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)c3ccn(C)c13)CCO2 1838439424 DEFKBZAUCQUMST-OAQYLSRUSA-N 414.462 0.925 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838536328 PYVIAECKIKNGES-JOCHJYFZSA-N 415.490 0.649 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908434 ZZHMCQIZAPYXCQ-JTSKRJEESA-N 414.506 0.968 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839224571 MLVLMBCHBJHLIB-AUUYWEPGSA-N 423.470 0.178 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1839226387 NJNFEXVKOFUDLA-OPYAIIAOSA-N 424.542 0.586 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1839227478 RXHCHHQASADEQG-OXQOHEQNSA-N 419.482 0.656 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1839454140 WFNIIGRRQPOLFQ-AVRDEDQJSA-N 413.474 0.973 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839843354 ZCQBPIBFWQGBLF-BEFAXECRSA-N 412.556 0.139 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3C)C2)C1)C(F)(F)F 1839893128 PAXCZFFWTWRWFM-QGZVFWFLSA-N 414.384 0.974 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839958266 ZCTWVYQMXFWZNH-GHTZIAJQSA-N 401.463 0.350 30 20 HCED CCC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840041689 CELKRSRLNHVPEP-UTKZUKDTSA-N 417.462 0.374 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840162771 HDMLJPZWBODUCT-OXJNMPFZSA-N 411.568 0.780 30 20 HCED COC(=O)C12CC(C(=O)N3CCOC[C@@]4(CN(C(=O)[C@@H](C)S)CCO4)C3)(C1)C2 1840165159 XBMNGVQCHWUZBF-GPIZFROPSA-N 412.508 0.104 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@]3(F)Cl)CCO2)C1 1840245386 KKXMKQUFMFYYOJ-KODHJQJWSA-N 418.893 0.940 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840581868 XLZDGVXTSNLDOL-IPJJNNNSSA-N 423.554 0.907 30 20 HCED CN1CCN(CC(=O)N2CCCC23CN(C(=O)/C=C/C(=O)c2cccs2)C3)CC1 1843914386 FCUOCLRXZWYYAU-AATRIKPKSA-N 416.547 0.938 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844331949 FIEWWDGEMRGYCG-DZGCQCFKSA-N 405.524 0.753 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N[C@@H](C)c2ccccc2OC)c1=O 25522163 QLIXPHLCFLDEAJ-AWEZNQCLSA-N 400.435 0.430 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)n1 409498303 DRUDXWDRXXUTAO-UONOGXRCSA-N 400.505 0.621 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)CC1 429795370 ZDZYDOHWKIUMOE-QLPUUCHCSA-N 406.556 0.218 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 438741534 RYFFGSUWUGRXFG-UHFFFAOYSA-N 408.480 0.922 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 463394595 VSJLYASAYFSZBF-HOTGVXAUSA-N 402.480 0.916 30 20 HCED N#C[C@@H]1COCCN1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 471242094 HVUGSQOAKYMDRU-QGZVFWFLSA-N 418.519 0.975 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 482186555 UYIUJKBBSJJJDV-BLLLJJGKSA-N 419.484 0.870 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)Nc3sccc3C#N)CC2)cn1C 486122271 BNFFQWVMBAFMPZ-UHFFFAOYSA-N 408.509 0.607 30 20 HCED CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1OC 486304053 MJJPIPLLYGJLIS-ROUUACIJSA-N 407.492 0.831 30 20 HCED CN(CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)CC(F)(F)F 491283651 MGGRYSYKYGPNNM-UHFFFAOYSA-N 409.372 0.747 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)cc1 493979069 WOMXCAFDPXUQQR-OAHLLOKOSA-N 423.495 0.473 30 20 HCED C=CCCOCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 499258855 DVXOPXXECZTQAL-CVEARBPZSA-N 401.463 0.731 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2C1=O 501030504 DJHMANKQCNVIGZ-UHFFFAOYSA-N 424.457 0.375 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCC)C23CCCC3)CC1 503807797 BHOPEUHFORIZER-SJORKVTESA-N 406.527 0.287 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3nnc4ccccc4c3=O)C2=O)cc1 504102931 HSEODUIFXBQINM-SFHVURJKSA-N 402.414 0.975 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)c1C#N 505667846 WLMKSOQCRJLQKW-KBXCAEBGSA-N 410.482 0.202 30 20 HCED N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1F 505992111 PDHAGRZWZJVGEL-QGZVFWFLSA-N 416.434 0.941 30 20 HCED CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1ccnn1C 506868810 UUIMPJHFIGDWHV-QKLQHJQFSA-N 420.473 0.728 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 508119341 LMOSLXCOJPUXTR-DLBZAZTESA-N 404.492 0.289 30 20 HCED C=CCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 508722991 GDMCHJNVJAGXGI-UHFFFAOYSA-N 418.479 0.614 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccc(OC)n2)CC1 508811025 QZBYFDCGVXOPPB-ZDUSSCGKSA-N 422.515 0.200 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2CC)c1=O 512776032 HMMKKVUTVLPTQT-UHFFFAOYSA-N 417.560 0.615 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1 520684583 VJVZCWJBVKEUBJ-INIZCTEOSA-N 411.480 0.335 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)N1CCN(C(=O)c2ccco2)CC1 530904842 JJBHEYDAEJWQTK-UHFFFAOYSA-N 403.483 0.112 30 20 HCED CCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 533225230 ZSARVMRQJGQRJT-CYBMUJFWSA-N 412.537 0.800 30 20 HCED Cn1c(=O)c2c(ncn2CCN2CCC(Oc3cccc(C#N)c3)CC2)n(C)c1=O 533423667 IAUOETNHLWUFPW-UHFFFAOYSA-N 408.462 0.849 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)c1ccncn1 545447209 QCBNRFKZOGJFJO-HNNXBMFYSA-N 402.432 0.996 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCn3cnc(C#N)n3)c2)C[C@@H](C)O1 552673589 BVQDHRQQMAWRPU-OKILXGFUSA-N 418.479 0.378 30 20 HCED C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H](C)N1CCOCC1 553618238 OGWMJHOTJGUAAO-ROUUACIJSA-N 415.538 0.674 30 20 HCED COc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@](C)(O)CO)cc1[N+](=O)[O-] 555093794 XVRGHHGMZWPOCW-SFHVURJKSA-N 403.395 0.854 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)C1=O 556203114 GWIQMLGAJUZQLP-NSHDSACASA-N 408.480 0.778 30 20 HCED Cn1cc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 556269215 LMNZTALPULFIJF-UHFFFAOYSA-N 410.413 0.886 30 20 HCED COc1ccc(Cn2cc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cn2)cc1 560169022 ZWBDYEBJJZJOSI-UHFFFAOYSA-N 422.449 0.804 30 20 HCED CCN1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 573160765 WQOWUCBXPLINIR-QGZVFWFLSA-N 411.462 0.251 30 20 HCED CNCCCc1[nH]nc(NC(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)c1C#N 575203244 HPNCCMSUMMHFBR-LLVKDONJSA-N 405.484 1.429 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 578148238 BAKLDPCCLMBHNH-UHFFFAOYSA-N 406.490 0.980 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n(CCC#N)n1 580147065 YAHFDTCSJSZLFG-LLVKDONJSA-N 400.361 0.571 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC1 588126053 YQNOAZDPPRCXNO-UHFFFAOYSA-N 403.508 0.527 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C)c2)c1=O 589755834 HEJGEFOWABPUSG-UHFFFAOYSA-N 415.515 0.903 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 589895645 PHIPAAKCZGKHGL-SIFCLUCFSA-N 412.450 0.836 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2ccccc2)c1=O 603793515 XLICZXFHUILXKF-UHFFFAOYSA-N 424.526 0.047 30 20 HCED N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 609269377 OMXDRXPBBSXWMW-OAHLLOKOSA-N 421.475 0.609 30 20 HCED N#CCc1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 619481093 FTTMGDWGNMUFLO-UHFFFAOYSA-N 414.491 0.560 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCOC)CC2)c1 642243382 UOLOJZJJHUIJOJ-UHFFFAOYSA-N 409.508 0.766 30 20 HCED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCNC(C)=O)cn1 726888468 NTYUMCPUXDQKQZ-AWEZNQCLSA-N 405.480 0.827 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)nc1 729012038 JHWJIIJTAAZPBA-NRFANRHFSA-N 422.397 0.727 30 20 HCED Cn1nc(C(=O)N2CCN(CCOC(=O)c3cccc(CC#N)c3)CC2)ccc1=O 729210013 OSYIABJILDPVAT-UHFFFAOYSA-N 409.446 0.461 30 20 HCED Cc1cc(=O)n2nc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)sc2n1 729382291 VUUSCWBNFAVKFG-UHFFFAOYSA-N 419.444 0.353 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 733770836 KQUYECWQTCYXGS-OAHLLOKOSA-N 424.461 0.821 30 20 HCED COc1cc(OC)cc([C@H](O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 735757678 IGVYEBRSFOCJNR-JHHGQVAESA-N 404.423 0.563 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 740889663 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405.476 0.384 30 20 HCED C[C@H](CC(=O)N1CCN(CC(C)(C)O)C[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 781218033 QYIIKMJTDBWWAI-HUUCEWRRSA-N 422.551 0.807 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 782998834 YXPJRZLOWLMZQA-SOUVJXGZSA-N 406.487 0.945 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 784221804 GXPMDSUTOWAMEE-AWEZNQCLSA-N 421.441 0.530 30 20 HCED CCc1nnc(S)n1CCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 784776181 JIMACQGWBJBBBC-UHFFFAOYSA-N 418.479 0.781 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cnn(-c3ccccc3)c2)n1 785972212 QFIJYGLFDCDANY-UHFFFAOYSA-N 420.473 0.993 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 786081443 CHXRQKRLBQHUIV-UHFFFAOYSA-N 404.286 0.578 30 20 HCED C[C@H](OC(=O)/C=C\C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)C(=O)NC1(C#N)CCC1 787579576 FVECVOJOUQVDDX-YOQOKRQFSA-N 416.434 0.531 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCCCc3cc(C#N)ccc32)c(=O)n(C)c1=O 794857037 BVAWVFNMXORTQD-UHFFFAOYSA-N 401.448 0.365 30 20 HCED 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COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 507058907 LXVHWBWRNIBBAM-GFCCVEGCSA-N 422.385 0.444 30 20 HCED CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)s1 509334883 ODZZRPHKNQPGDS-QWRGUYRKSA-N 418.483 0.929 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)cc1Cl 518114802 HHLQEZALJHZAGH-UHFFFAOYSA-N 413.821 0.682 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1 518505339 BRMGRVFZMLWUSJ-UHFFFAOYSA-N 403.508 0.842 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](C)C1 520830683 QNPJJTZOZLPQEP-CYBMUJFWSA-N 402.480 0.822 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 527030645 ZCRHPTSNBDRWNK-AWEZNQCLSA-N 416.503 0.179 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 533377108 FQQMQQBATJDLMS-FQEVSTJZSA-N 402.462 0.878 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 534603003 YACJZCHUTXBFQW-INIZCTEOSA-N 410.499 0.679 30 20 HCED CN1CCN(C)[C@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543961085 CXZFYGKZINIILX-OAHLLOKOSA-N 415.885 0.698 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)C1=O 546073519 UCZSXNFTRNERDP-SNVBAGLBSA-N 416.477 0.729 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)n1 546202803 ORZKNUKAQMJYQY-UHFFFAOYSA-N 421.461 0.472 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 550807149 VODKHAGKZFTCCW-UHFFFAOYSA-N 415.541 0.804 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCN(C4CCCC4)C3)CC2)c1C#N 553701351 SHVFZOKKHFNOMW-INIZCTEOSA-N 413.526 0.382 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 554399773 ZTKDDEQQMWHAQN-AEFFLSMTSA-N 411.506 0.970 30 20 HCED CC(C)C[C@@H](CCO)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 565621452 RCKXMWUFCDXKRS-MOPGFXCFSA-N 414.506 0.936 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)ccc1C#N 568069507 XLJBQKXOKWHFAV-UHFFFAOYSA-N 406.402 0.706 30 20 HCED COc1cccc(N2C[C@@H](NC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2=O)c1 571171843 AGGLPCMHNILJRV-AWEZNQCLSA-N 410.434 1.204 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 577661857 AQQIUBDVUKPNBA-MAUKXSAKSA-N 401.463 0.846 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1C#N 578824059 VQRWZIUXLFVVLM-XOUADPBQSA-N 415.475 0.134 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)n1 583233622 HOEKLJGQGFQRTL-RDTXWAMCSA-N 424.461 0.761 30 20 HCED CC(C)N=c1[nH]c(=NCCO)[nH]c(=N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH]1 584427816 PJNWWVWMQGDGAH-OAHLLOKOSA-N 414.489 0.453 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(=O)NCCOC)c2)c1 607617366 RQOLIQBVXWRVOS-UHFFFAOYSA-N 421.479 0.362 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608924416 CGCYOJZWFGHZHM-CQSZACIVSA-N 407.478 0.751 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 610955636 JWESWLCIYSAVQF-UHFFFAOYSA-N 410.455 0.171 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611633180 SDAFEWDABSGCKJ-YDHLFZDLSA-N 410.452 0.727 30 20 HCED CNS(=O)(=O)Nc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 619567254 JWFWLIAEQFVMNZ-UHFFFAOYSA-N 422.488 0.988 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NCC3(OCCO)CCOCC3)CC2)nc1 619733315 CKMLMHYHUYUQMM-UHFFFAOYSA-N 403.483 0.779 30 20 HCED C=CCn1c(SCC(N)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 669940964 AXULYKMAHZSEAP-UHFFFAOYSA-N 423.520 0.729 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1 673244536 FLFKRHNXODRNSA-INIZCTEOSA-N 405.524 0.465 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCCCS(=O)(=O)c2ccc(F)cc2)C1=O 726037932 OJSHEMVRBFHWCY-UHFFFAOYSA-N 412.395 0.510 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1C(=O)C(=O)N(C)C1=O 733564412 JZWLLJIEWYNZCZ-LBPRGKRZSA-N 416.390 0.294 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cncc(Br)c1 735082169 OJQXEMOPNTUMDT-SEYXRHQNSA-N 401.242 0.649 30 20 HCED Cn1cc(C[C@@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 746627779 XAQLAAKTEVALSI-AWEZNQCLSA-N 401.492 0.940 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)CC1 747742691 WWQWYIJSNODZFI-UHFFFAOYSA-N 421.519 0.984 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCc4nnc(C)n4C3)CC2)o1 750663667 YXSQQMVMFHAUKX-AWEZNQCLSA-N 413.438 0.209 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O 754847380 WKVZBNBRVZUWAM-GUYCJALGSA-N 401.444 0.865 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(CC)cc2)c1=O 758079561 OBDLYBQUAVOYAG-HNNXBMFYSA-N 409.511 0.760 30 20 HCED COCCN(CCOC)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758645555 RHRUCJKNKOHSNN-UONOGXRCSA-N 406.505 0.175 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@](C)(O)CN1C(=O)C(C)(C)c2ccccc21 758878702 BZURSHFUHHXIGS-FQEVSTJZSA-N 403.435 0.617 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 761036064 ATISZRXZFLPRJC-UHFFFAOYSA-N 403.508 0.584 30 20 HCED C#CCOc1cccc(-c2noc(CCn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c1 761783214 POBBDUGZQSFBOI-UHFFFAOYSA-N 406.402 0.738 30 20 HCED C#CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765542316 WEGSHAUWOABEEM-UHFFFAOYSA-N 409.483 0.967 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)CC1 767769958 DHEKFLHVNNPABH-UHFFFAOYSA-N 421.519 0.352 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770841200 YTEJDTNQLFZLOI-BBATYDOGSA-N 424.816 0.718 30 20 HCED C[C@@H]1OCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 771082719 LXWCSOCQKODAOI-HOCLYGCPSA-N 421.475 0.359 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc[nH]n1 772431105 BWZWJZYBBHBMCD-LLVKDONJSA-N 419.360 0.363 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(C3CCOCC3)n2N)CC1 775186243 ISNOKGIEJBQUGC-HNNXBMFYSA-N 407.544 0.670 30 20 HCED C#Cc1ccc(C(=O)NCCC(=O)N2CCN(C(=O)c3ccc(C#C)cn3)CC2)nc1 778949739 SULFYKAGKBJZGD-UHFFFAOYSA-N 415.453 0.544 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780050506 LISAFHIYVWLXAI-CQSZACIVSA-N 415.450 0.111 30 20 HCED COCCCN(Cc1nc2ccccc2c(=O)n1CC#N)[C@@H]1CCS(=O)(=O)C1 780696533 ASGJLDRZYWIJPR-OAHLLOKOSA-N 404.492 0.946 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CCNS(=O)(=O)c3cccs3)nc12 782471071 RZEHBIDGYOATRD-UHFFFAOYSA-N 407.433 0.780 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 783349826 CHMOFJHDPBCWJZ-UHFFFAOYSA-N 408.524 0.484 30 20 HCED CCN1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 784211853 LHTGRNMBGVBGOX-CABCVRRESA-N 422.507 0.321 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCCO)C2CC2)cc1 784798808 CZNMCMXBQTUAEL-HEHNFIMWSA-N 422.507 0.811 30 20 HCED N#Cc1ccc([C@H](OC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C(N)=O)cc1 786995130 HWCIGHFOBUPNHG-HKUYNNGSSA-N 414.462 0.341 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C(=O)N1c1ccccc1 787756061 NSRMMHQFUFJLIY-RHSMWYFYSA-N 406.446 0.792 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 789493061 YTKIMYOTBDGTBY-HNNXBMFYSA-N 407.430 0.523 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C[C@H]2CCOC2)CC1)c1cc[nH]n1 789977426 SBKMRVRMJFFLFA-CQSZACIVSA-N 407.471 0.311 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OC[C@@H]1CCCS(=O)(=O)C1 791473948 VMVHPTPPNBJUBA-LBPRGKRZSA-N 400.478 0.483 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)c2ccccc2)c1 795324482 OGLCEDQAJRNDFW-UHFFFAOYSA-N 415.427 0.379 30 20 HCED CC(=NNc1ccc(C(N)=O)nn1)c1ccc(Br)c(S(N)(=O)=O)c1 797401767 OISAIKSIIRVMDD-UHFFFAOYSA-N 413.257 0.822 30 20 HCED COC(=O)C(C)(C)C(=O)COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 803218107 NIWKLRMBEULCDS-UHFFFAOYSA-N 410.448 0.817 30 20 HCED C=CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)c1ccncc1 804870364 ZVXXFXDWZYOIRN-OAHLLOKOSA-N 412.537 0.310 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN3c4ccccc4C[C@H]3C2)c1=O 811781545 DOBFRSJRLUVBIX-SFHVURJKSA-N 409.490 0.638 30 20 HCED COc1cccc([C@]2(C)NC(=O)N(NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c1 813706622 OXBXNBRLBBIKTI-SFHVURJKSA-N 415.431 0.931 30 20 HCED CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 815807012 BDVYMUHZFBXPDW-HNNXBMFYSA-N 414.397 0.746 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 852628951 RSVLBPLYMXYZKB-WHOFXGATSA-N 414.867 0.145 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1CCOC 916664632 OFLDAECESMRZEV-UHFFFAOYSA-N 422.304 0.568 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)n(C)c2n(C)c1=O 1132098838 PCKWVTZAEBAQSY-UHFFFAOYSA-N 406.446 0.410 30 20 HCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1315040522 MGBIBBDXXYOHOT-FQEVSTJZSA-N 414.466 0.452 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)c1 1320640825 VLCQFXYLQUHJJU-APWZRJJASA-N 419.507 0.521 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](N2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)C1 1322160689 SXXVGAWBKGYTEZ-NEPJUHHUSA-N 412.468 0.245 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)cc1 1468258898 UUXNSTJVPNADCL-OAHLLOKOSA-N 401.448 0.683 30 20 HCED CCOC1CC(O)(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1502959267 KMVFZCKZSKXPOM-GPWPYBQESA-N 412.498 0.893 30 20 HCED COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCO1 1504723705 YEMWTFLPDVEVPP-RXVVDRJESA-N 412.494 0.735 30 20 HCED CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1505153551 WRXGMXVGVQWPIH-UHFFFAOYSA-N 422.536 0.831 30 20 HCED CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1508278472 LZUFCVDCEJWPCI-KRWDZBQOSA-N 403.531 0.760 30 20 HCED COC(=O)N1CCC(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1517699811 IOSMLSMISBLGAZ-JKSUJKDBSA-N 404.471 0.989 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1519524050 UATWXPQOPJVJMI-OAHLLOKOSA-N 402.480 0.563 30 20 HCED C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1541805850 YTYPFMNZNJXHHI-RDTXWAMCSA-N 404.496 0.552 30 20 HCED CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1561723486 NDHVHPRCHXXAQP-UHFFFAOYSA-N 414.553 0.908 30 20 HCED CC(C)(O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1597809938 UBYXHPCYADNCMB-MRXNPFEDSA-N 424.509 0.983 30 20 HCED CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1615652406 ULAPQSJNPKPXDT-CVEARBPZSA-N 410.544 0.639 30 20 HCED CCCNC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695428557 LJLZHUDOSADNPT-INIZCTEOSA-N 409.498 0.828 30 20 HCED COCCN1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1698077118 WTAKFHPYJIDQHU-LIRRHRJNSA-N 416.461 0.615 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCc1cnn(C)n1 1723914183 NFXZGULTLNCPJQ-CHWSQXEVSA-N 409.520 0.388 30 20 HCED COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1730732502 QDDFRNVPGVXLFO-SFHVURJKSA-N 424.509 0.609 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1741699506 RECXNDDOQQMYLG-GOSISDBHSA-N 409.494 0.862 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCN2CCCO)c1 1750382020 OKZHPRZYMHENPF-IBGZPJMESA-N 423.521 0.990 30 20 HCED COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1769014793 YWQSPLGOHFGZPT-CHWSQXEVSA-N 407.500 0.936 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1779238528 ZBJLWQVEABYLMN-XOBRGWDASA-N 406.483 0.407 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)OC)CCO3)c(C#N)c1 1781177175 SLWRBVAJBRXDBV-BTYIYWSLSA-N 401.463 0.974 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1781264109 GEMWKQHMIATHQH-YLJYHZDGSA-N 406.435 0.652 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1781394275 CEHNWDUYAGJIEP-AUUYWEPGSA-N 415.454 0.369 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1S)C2 1782009689 VASYGDUFRICOJT-AUUYWEPGSA-N 403.460 0.586 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782671057 ASGHYEHWZOPXCY-FUHWJXTLSA-N 410.496 0.345 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782953662 OTNRAVFYWFRIGN-ZQIUZPCESA-N 404.554 0.348 30 20 HCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCN2CCOCC2)C3)CCC1 1783124821 PIMXENSRHDJCRW-XMSQKQJNSA-N 418.538 0.916 30 20 HCED 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Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cnn1C 1838906528 NZPAPJQDZMQCTL-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1838968368 BXZINEKITVAEDF-KKSFZXQISA-N 402.447 0.501 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1)C(F)(F)F 1839891302 XODSRTBJNSJDEX-WMLDXEAASA-N 421.416 0.476 30 20 HCED CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840041382 KBFMHFRSFPOYQI-GCJKJVERSA-N 414.458 0.725 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059979 UEPNRNCKFREROR-QFBILLFUSA-N 409.508 0.812 30 20 HCED COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840164471 LAYBKPPEAGDJSF-KXBFYZLASA-N 416.540 0.885 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1840842738 YIMJOHXNGLEJJV-ZLKNRPIFSA-N 423.469 0.892 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840939526 IRHGDHPBYNHAJD-PGRDOPGGSA-N 423.554 0.502 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)C(=O)Nc1cccnc1)C2 1845188704 XARCWBPVZFMITA-UHFFFAOYSA-N 400.435 0.733 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847785712 YIJZQBLVJQFYFF-QPSCCSFWSA-N 401.529 0.089 30 20 HCED CCOCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31295807 IDQULPVLNLKQEN-INIZCTEOSA-N 408.524 0.796 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 50143673 IYUKZDMQRJBEKV-UHFFFAOYSA-N 402.432 0.512 30 20 HCED N#Cc1ccccc1OCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 57404813 UGHOBSXIJRDRPP-UHFFFAOYSA-N 404.404 0.940 30 20 HCED CN1CCN(CCCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 106157407 OOIMAIJTDOJTHP-UHFFFAOYSA-N 407.540 0.323 30 20 HCED CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N[C@H]1CCS(=O)(=O)C1 110981521 MQKVPBWESSMSIF-AWEZNQCLSA-N 412.899 0.775 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409500723 KMODGVFAMZRLSU-CYBMUJFWSA-N 407.414 0.891 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 409555026 MDQPBYCVYRSBDV-UHFFFAOYSA-N 406.555 0.971 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O 427903268 JTXVWFMEZNWDBH-JQFCIGGWSA-N 405.476 0.822 30 20 HCED C=CCNC(=O)CS(=O)(=O)c1nnc(N2CCC(C)CC2)n1C[C@@H]1CCCO1 429884743 GENNQCJTMQNCPN-HNNXBMFYSA-N 411.528 0.769 30 20 HCED N#CCCn1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2ccncc2)n1 433299337 BPJUTGGMLBZYTK-FQEVSTJZSA-N 423.521 0.881 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCC(=O)N2)CC1 434863208 XYFYADFRCRWOGP-HNNXBMFYSA-N 405.480 0.243 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 438013609 PKRLUYOFRFQLLU-SJLPKXTDSA-N 402.499 0.796 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H](C)CC#N)CC2)c1 438657092 QLFMNWGTWBZGMA-HNNXBMFYSA-N 424.523 0.771 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc1 442359167 DNSWLWDQIWODHS-CYBMUJFWSA-N 408.480 0.233 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443147941 RHCJONCYZHVYML-UHFFFAOYSA-N 420.369 0.499 30 20 HCED Cc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1S(=O)(=O)NCC#N 444547754 JRPVBHIMOZOUCD-OAHLLOKOSA-N 408.524 0.714 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)cn1 445161460 VUXBSJGVZUTLQD-UHFFFAOYSA-N 407.434 0.548 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC)CC2)n1 445172222 JBGLLEQZSHFNEB-UHFFFAOYSA-N 414.422 0.379 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 447468792 GNSOFWPSRFBQTP-UHFFFAOYSA-N 402.432 0.778 30 20 HCED N#Cc1c(N)n[nH]c1CCCNc1ncc(Br)cc1S(N)(=O)=O 448170947 ZFPNMDIHLPGQAB-UHFFFAOYSA-N 400.262 0.713 30 20 HCED C=CCc1ccc(OC[C@H](O)CN2CCC(NS(=O)(=O)NC)CC2)c(OC)c1 463192874 MMUIFXXCCDZHOQ-QGZVFWFLSA-N 413.540 0.682 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(F)(F)[C@@H](CO)C2)n1 464119545 IROSSCXHSZFZIQ-LLVKDONJSA-N 407.352 1.298 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)on2)c1 469020561 NVOTZCHWWVLTLG-UHFFFAOYSA-N 421.413 0.647 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 473843556 POTVCXNXFAXRRY-IRXDYDNUSA-N 405.476 0.483 30 20 HCED CC(=O)NCCN([C@@H](C)C(=O)O)S(=O)(=O)c1cc(Br)cc(C#N)c1 485304871 IJHFPXHEEIDRKK-VIFPVBQESA-N 418.269 0.921 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 486924596 DMQBPWCEDDSXPQ-GFCCVEGCSA-N 414.465 0.655 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 492295634 QFGQRNGCFRGTOJ-HNNXBMFYSA-N 420.491 0.922 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 495787140 CWPASUOANBXSFE-UHFFFAOYSA-N 421.567 0.663 30 20 HCED Cc1cc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nn1CCC#N 501411576 XROKVFUFXDGNHO-HNNXBMFYSA-N 410.500 0.764 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 505152200 JLYGNDMJNVGWJM-INIZCTEOSA-N 405.418 0.919 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CC(O)(CC#N)C1 506365056 TVKLBPPEBNQULR-INIZCTEOSA-N 409.464 0.248 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC(C)C)CC1 508839780 IEHCHLNZTUEITM-HNNXBMFYSA-N 400.549 0.621 30 20 HCED Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NC(=O)C(=O)NCC(=O)NCC#N 509015790 LSSBCXVMXWHORQ-UHFFFAOYSA-N 408.340 0.800 30 20 HCED Cc1ccc(I)cc1NC(=O)C(=O)NCC(=O)NCC#N 509017557 SIPFHJJUPDJVBR-UHFFFAOYSA-N 400.176 0.294 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 512451577 JATUSIZPXMPLJD-ZWKOTPCHSA-N 405.524 0.687 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 514806463 WHELCSLPIGRPAJ-WMLDXEAASA-N 422.507 0.321 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(O)n2C[C@H]2CCCO2)cc1 518155436 QXCMKLTYYKNXQX-CQSZACIVSA-N 405.436 0.124 30 20 HCED CCCn1c(N)c(C(=O)CN2CCN(c3snc(C)c3C#N)CC2)c(O)nc1=O 519821384 CDKYNYHZTHHPPG-UHFFFAOYSA-N 417.495 0.583 30 20 HCED C=CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 520702268 WHKFOSVFKNYCTJ-UHFFFAOYSA-N 411.484 0.823 30 20 HCED CC[C@@H](C)[C@@H](NC(=O)COc1ccccc1C#N)C(=O)NCCN1CCOCC1 521073197 JNZQNLUNUIFHIV-OXQOHEQNSA-N 402.495 0.916 30 20 HCED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 521129015 WQKZHFGQMRMABB-AWEZNQCLSA-N 404.485 0.696 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 523040836 CZNYCBRNKLMEFB-UHFFFAOYSA-N 400.460 0.475 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C 523974904 OMVCZPUUTGOUBN-UHFFFAOYSA-N 403.479 0.940 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCN(C)C)CCN(C)C 527124271 RBCWZCUIUZISBA-UHFFFAOYSA-N 412.498 0.338 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)NC1CCCCC1 535672198 OWIIYFAEGLLWFG-AWEZNQCLSA-N 421.523 0.973 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3nnc(N)cc3C2)CC1 538348707 BMNJDIFTXMTRAZ-LJQANCHMSA-N 409.469 0.965 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 540102697 DYICWOPNAIQCCZ-GVAFMPQTSA-N 411.418 0.719 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)C(=O)NCC2 544586231 OTYQGFJQHJEMGQ-CYBMUJFWSA-N 412.471 0.827 30 20 HCED COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)nn1 546932450 HCEWAMLVWPFFAE-NVXWUHKLSA-N 403.487 0.004 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(Cn3cncn3)cc2)n1 552702097 PUZSWNYTIUGOPG-UHFFFAOYSA-N 406.450 1.404 30 20 HCED CN(CC(=O)N1CCN(c2cnccc2C#N)CC1)S(=O)(=O)c1ccc(C#N)cc1 553355587 HVTYGFWJVKWNFQ-UHFFFAOYSA-N 424.486 0.794 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 553912712 IVHQXWJMXHWJAQ-UHFFFAOYSA-N 422.507 0.025 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 554307275 KCBAZRVIUHTGEK-GOSISDBHSA-N 414.506 0.633 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 554307277 KCBAZRVIUHTGEK-SFHVURJKSA-N 414.506 0.633 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 560463296 FUQGYELHRNVGDU-UHFFFAOYSA-N 403.420 0.973 30 20 HCED COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C2=O)c(OC)c1 561548898 QNIBLJDPEPGMSH-CZUORRHYSA-N 410.496 0.731 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)C2=O)cc1 563910144 LQMVUDUPKBFCAS-UXHICEINSA-N 423.517 0.908 30 20 HCED Cn1c(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c(C#N)c(=O)n(C)c1=O 580795582 IHAAPBKOMIGLBJ-LLVKDONJSA-N 409.493 0.282 30 20 HCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c1 589157316 UFRZWQGUCXNDPQ-UHFFFAOYSA-N 413.499 0.910 30 20 HCED C=CCCOCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 596164284 YETQDWJVVCCLMV-UHFFFAOYSA-N 409.464 0.443 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 603553776 WRQYFBZZVHRKBE-QGZVFWFLSA-N 406.508 0.502 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 603875653 BERCEMTZKFWVKU-MRXNPFEDSA-N 400.483 0.673 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)c1 606124620 HRSQQNHHVQVHRS-INIZCTEOSA-N 402.451 0.433 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCCN2CCN(c3ncccn3)CC2)cn1 609196315 GYEQNBMDURBWQM-UHFFFAOYSA-N 401.496 0.624 30 20 HCED C[C@H]1COCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610991089 BQHCCXCXYGBJEO-INIZCTEOSA-N 406.508 0.502 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cn3cccn3)c2)CC1 674194011 NCBLWEMCFOEIOX-UHFFFAOYSA-N 410.478 0.316 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCOCC 725764339 PQEFEJGLLNGBGY-UHFFFAOYSA-N 415.519 0.102 30 20 HCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc4c(c3)OCCO4)c2=O)cn1 726180674 RSXSJEKLZDIXCX-UHFFFAOYSA-N 405.439 0.913 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cnn(CC)c1 726578141 WGDJHRGQRQYIDA-CYBMUJFWSA-N 410.503 0.967 30 20 HCED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 728105205 AEMPCBGLDGPVHU-GOSISDBHSA-N 422.463 0.982 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)CC1 728572980 HELXFAFWBFAEAM-SFHVURJKSA-N 423.473 0.917 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCOC2)cc1 730397218 ROHQGYLGQCDGGX-IXPAQYDLSA-N 408.480 0.685 30 20 HCED C=CCN(C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)[C@H]1CCS(=O)(=O)C1 731613524 HQSRCPZAYWPGDO-ZDUSSCGKSA-N 412.420 0.996 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 739080212 LPKOBCCHYMXDCG-UHFFFAOYSA-N 414.506 0.862 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 746547644 IJKQQARKBTXBGS-UHFFFAOYSA-N 413.411 0.562 30 20 HCED N#Cc1nc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 749282523 IQRYTOTWBUHLCA-NSHDSACASA-N 404.901 0.246 30 20 HCED C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749743496 MQDBJLSHYVRZMP-BBVBSRCGSA-N 410.496 0.571 30 20 HCED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 750967565 RJVRWTVPILNPCO-FQEVSTJZSA-N 416.401 0.940 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)cc1C#N 752404149 UPUVRPHIZHWKRL-INIZCTEOSA-N 404.423 0.969 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C)c2)c1=O 758082697 FSOVMOKTZWWLOR-UHFFFAOYSA-N 411.483 0.126 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 761663819 CCGMPNAECCVJGV-UHFFFAOYSA-N 419.413 0.263 30 20 HCED COc1ccc([C@H](CCO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 762278633 LWOGDLHGANQIGC-INIZCTEOSA-N 403.460 0.974 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(Cl)cc2Br)c(=O)n1CC(N)=O 769879771 XDQMBBBAANEYPX-UHFFFAOYSA-N 423.679 0.838 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)N(C)C)CC1(C)C)c1cc[nH]n1 772530181 HMMADHRJXRCDER-UHFFFAOYSA-N 408.459 0.298 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@H]1CCCO1 773784624 BYQYPGWRQWTBJZ-UONOGXRCSA-N 413.883 0.826 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)[C@@H]1CCCO1 773798651 QOZRBGBELVZQDP-MOPGFXCFSA-N 412.490 0.239 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCCCS(=O)(=O)c2ccc(C)cc2)C1=O 774940944 KDWXWINUZHUMQI-UHFFFAOYSA-N 408.432 0.679 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C2=O)cc1 776140603 CFYRQVOBTWXXLT-SFHVURJKSA-N 422.463 0.458 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CCN2CCNC(=O)C2)C1=O 781102719 JXQDLWCMGIEVBS-INIZCTEOSA-N 417.535 0.803 30 20 HCED O=C1CN(CCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)CCN1 781103282 PABVIVDBXQWBDN-MRXNPFEDSA-N 415.519 0.719 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 781826044 OZLUMOZIEWFTBP-SSPLZPMDSA-N 423.495 0.478 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)c(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 783481589 QCXCMLLNHNRWIB-LBPRGKRZSA-N 410.448 0.300 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784869004 QQRWLRBHRUZIIR-FXBPSFAMSA-N 400.460 0.533 30 20 HCED N#Cc1c2c(cn(CN3CCN(S(=O)(=O)Cc4ccon4)CC3)c1=O)CCCC2 793506207 UGRPZYXREZPLRS-UHFFFAOYSA-N 417.491 0.692 30 20 HCED C=CCN1CC[C@@H](N(C)CN2C(=O)CN(c3cccc(C(=O)OC)c3)C2=O)C1=O 799141996 HZQRBFJRWQDOMD-MRXNPFEDSA-N 400.435 0.918 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)C(=O)NCCF)C1=O 799863925 MBPUOBFJJFVHSB-JQWIXIFHSA-N 411.459 0.632 30 20 HCED COCCn1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 800577134 HSVDDQJTNKFJNS-UHFFFAOYSA-N 405.480 0.665 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(=O)N3CCC[C@H](C)C3)CC2)o1 805561411 HDZNVWNBBOSUDW-ZDUSSCGKSA-N 403.439 0.305 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCC#N)c1 807343980 BGOHEXBILNHBQX-BBRMVZONSA-N 408.480 0.752 30 20 HCED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 807404082 YIWSVFJGPXQXBU-UHFFFAOYSA-N 410.478 0.161 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1)[C@@H]1CCCO1 809313563 VTMDGGXZYJJWBX-AEFFLSMTSA-N 423.473 0.277 30 20 HCED COC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 811361459 PJLKRAJSOVFWTF-INIZCTEOSA-N 402.432 0.652 30 20 HCED C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812387030 FVWFKMGUEGFBSB-JKSUJKDBSA-N 403.508 0.947 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc3ccc(F)c(F)c3n2)c(=O)n(C)c1=O 814883565 RNLLDLGQGAGRKJ-UHFFFAOYSA-N 409.374 0.223 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(Cc2c(C(=O)OC)sc(N)c2C(=O)OC)c1 913611122 BCZPFVOJFGOJEB-UHFFFAOYSA-N 405.388 0.772 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCNc2ccc(C#N)cn2)cc1 916276391 ZLADPGPNCFCXCX-UHFFFAOYSA-N 402.480 0.951 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)N3CCCC3)CC2)cc1 1136149591 QNKKRBFMPPVHTG-UHFFFAOYSA-N 405.480 0.197 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccsc3S(N)(=O)=O)C2=O)cc1 1139811336 KDLVDRYYMSHAFF-CQSZACIVSA-N 404.473 0.798 30 20 HCED CC(=O)NCCc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 1251902442 NACUQOUOLMAAQU-FOCLMDBBSA-N 412.493 0.231 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nncn1C 1288814229 CBKPAUUEGDYYSD-LBPRGKRZSA-N 407.504 0.195 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1339049102 WBGBHXKIQAVFIQ-WFASDCNBSA-N 406.464 0.655 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1 1472561532 VIYPMGCVOIUZQE-QGZVFWFLSA-N 406.508 0.550 30 20 HCED N#Cc1cn(CCNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(=O)nc1O 1478016522 JIIHAKPQNUPTRU-UHFFFAOYSA-N 411.397 0.687 30 20 HCED CC1(C)COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1510340052 MYUNZEUXDVHVSM-CABCVRRESA-N 403.487 0.069 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCO1 1517540479 RGLFEJZAWPAYEY-INIZCTEOSA-N 407.438 0.060 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1541656739 OPBLPBCYZDHUNI-AWEZNQCLSA-N 405.356 0.537 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)[C@H]1CCOC1 1546305277 SIGRBHWXUVXMBA-CWRNSKLLSA-N 409.508 0.653 30 20 HCED COC(=O)[C@H]1CN(C)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 1562623911 UBWRGMPGRFSCSN-KGLIPLIRSA-N 408.480 0.941 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](N3CCOC3=O)C2)CC1 1619904737 KCVALSIMHYDSAU-JKSUJKDBSA-N 403.508 0.983 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1622469778 RXWTVCGJTKDBDP-UHFFFAOYSA-N 418.516 0.431 30 20 HCED Cn1ccnc1C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1 1674712104 IGDREJGDPVIMBK-MRXNPFEDSA-N 407.434 0.837 30 20 HCED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C[C@H]1OC 1698288272 JAUDCAJQSOTSIW-UEXGIBASSA-N 412.494 0.733 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741801100 XCFQQJKTXUBOFD-KBPBESRZSA-N 404.500 0.755 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ncn(C)n1 1761481491 QVFOJCXFEFPVJU-LBPRGKRZSA-N 407.504 0.195 30 20 HCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1763036481 SGFCLCRLOZDCPO-ZDUSSCGKSA-N 417.495 0.033 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1778081143 GIRJCUZPJVJFEO-XGNBGGDFSA-N 420.535 0.716 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779075148 HABKXWBMEVMAGH-GHTZIAJQSA-N 422.478 0.505 30 20 HCED Cc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779100891 GTSZFVNMCCELMW-ZLISCHMWSA-N 417.466 0.758 30 20 HCED Nc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1779104037 FHXGIUJCSNHVHN-UWBSSBGWSA-N 423.495 0.698 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1779106966 QORGAGDLVBGJJZ-DXCKQMEOSA-N 423.510 0.896 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779551027 DGOBBNISBFZGFH-JOCHJYFZSA-N 416.474 0.914 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780040146 AAEJQOAODSAHJT-IIBYNOLFSA-N 411.462 0.793 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1Cl 1780192610 YAVAKUOBLWUBCD-MGPUTAFESA-N 416.865 0.934 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)ccc1F 1781300459 UHCDELVSUINHBX-IERDGZPVSA-N 414.437 0.206 30 20 HCED Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(O)n1 1782013422 KUXNNDAZZFXUQC-FOIQADDNSA-N 401.419 0.311 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659110 MEERSIUWQIDMSU-OAQYLSRUSA-N 400.479 0.842 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1783046423 NVXZOEJTXQFJIX-PGRDOPGGSA-N 413.449 0.893 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2)C(F)(F)F 1783201972 AAKYISKWJQVVPH-AWEZNQCLSA-N 403.317 0.880 30 20 HCED COc1cc(F)cc(/C=C/C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783567416 NWYLDGIJNFYJDZ-ATKOVBFVSA-N 416.405 0.765 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)cc1 1783604869 NFJOALTWJOBCGS-FHWLQOOXSA-N 401.463 0.089 30 20 HCED CC(C)[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784184850 FDVRTRRTQFLCTK-VKJXLAEFSA-N 411.499 0.512 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCN(C)CC3)C[C@@H]21 1784501512 UJNHQDLIBLGYLJ-FYQPLNBISA-N 422.570 0.195 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21 1784502699 CLWZMEICHMFUME-VRKREXBASA-N 405.451 0.677 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1784705157 YCDNGHZNIOEVLJ-FQEVSTJZSA-N 404.394 0.295 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1 1785084181 PGDUIWAAIPADFK-LDJQZATESA-N 410.474 0.893 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccc(C)n3)[C@H]2C1 1785372730 IVELPXQPTJYBAW-OWSLCNJRSA-N 405.499 0.972 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4cnnn4)[C@H]3C2)c1 1787093078 ARRAGEWQRPQMRU-FCLVOEFKSA-N 423.477 0.594 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(C(=O)OCC)ncn4c3)[C@H]2C1 1787148488 BBGRZRKDUFIQFC-BQFCYCMXSA-N 424.457 0.738 30 20 HCED C[C@]1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)CCCN1 1788603969 DLIPPTXQOMMXJA-JKNYIESDSA-N 405.543 0.580 30 20 HCED C[C@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1788629414 OCEHRYWXNWKJST-MBGYTDRXSA-N 423.477 0.770 30 20 HCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21)n1ccccc1=O 1788745127 DIVYYEUXOJXGID-QAETUUGQSA-N 400.479 0.939 30 20 HCED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)nn1 1789345740 WLNIONPJHUAJCG-ZQIUZPCESA-N 410.434 0.592 30 20 HCED Cc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)C4)C[C@@H]32)c1 1790271825 LQVXHNFBJZTCIF-WNHJNPCNSA-N 410.474 0.596 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nnc(-c3ccccc3)o1)C2 1793344343 LTHROGPQQPKYML-NRSFXHEJSA-N 424.457 0.978 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1ccccc1=O)C2 1793351399 UGYAWVHNEWARAK-UGNRZPKXSA-N 417.506 0.982 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(O)n3c1CCCC3)C2 1793358233 YDYCNISBUWMULY-MPTYRVRUSA-N 418.494 0.719 30 20 HCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)ncn2)cc1 1793488644 LNWLSJIHPASUNP-UPHUGPLXSA-N 421.457 0.890 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCNC2=N)c1 1795581304 JUKLAXGRQBVETO-DEYWJSPQSA-N 424.505 0.357 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)OCO2 1796785427 ZNLVTCJGXVIABZ-AMVTXUCVSA-N 400.431 0.657 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1ccccn1 1797972191 ZSMXBBIGMWDEKW-ZQOJQMTGSA-N 400.479 0.510 30 20 HCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)n[nH]1 1798651332 IUXWXVCABICJQC-ZSBFGKGUSA-N 419.445 0.983 30 20 HCED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)cccc1=O 1799640211 YIKUSPOGZOPANL-RMFSNUHRSA-N 420.469 0.968 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2)C(F)(F)F 1800549338 YUIXFYVMGACJBP-CLLJXQQHSA-N 414.384 0.708 30 20 HCED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)CC1 1802687649 UNSFSDDZZPNIQC-ICSRJNTNSA-N 412.538 0.885 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc3cccnn3n2)[C@@H]1c1cccnc1 1812877780 PFFQHCVCBXIZRX-FOIQADDNSA-N 418.413 0.532 30 20 HCED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1815219936 JXYZLXPQMHFVDK-HIFRSBDPSA-N 415.450 0.918 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H](NC)C(=O)O)n[nH]1 1817363775 DZVDZUGYUNTDJI-SNPRPXQTSA-N 405.455 0.503 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](CC)NC(N)=O)n[nH]1 1817988660 GIVWXHDQTNITSD-UMVBOHGHSA-N 404.471 0.887 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819665329 UFZGLCGSNANASH-JTQLQIEISA-N 417.495 0.213 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819876297 FLARSCVNNKMPGQ-IAQYHMDHSA-N 407.496 0.255 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2ccc(O)nn2)n[nH]1 1821640102 ONWLGXOLEBPNHI-CQSZACIVSA-N 412.406 0.618 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc(Cl)cn4)C3)C2)C1 1829666639 HLSSZCMFQMJRBH-IBGZPJMESA-N 408.886 0.959 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)C1 1829670090 RYGWPSFSBUWHAF-OAQYLSRUSA-N 411.462 0.766 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830760901 RLWDDBGSZJEFJF-UEXGIBASSA-N 424.542 0.728 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1831412684 ZAVJKPMMBBGQSK-DENIHFKCSA-N 423.554 0.767 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1831427715 YRXRHABBBAJKDY-OXJNMPFZSA-N 404.467 0.446 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1831491697 FCMUBJFIUGJILP-VQIMIIECSA-N 409.508 0.344 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831578595 KNVRABKMXCTFIN-HOCGJXRLSA-N 421.469 0.193 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834102706 IQVNQLUZGOMFIM-XPLSHGQHSA-N 421.454 0.009 30 20 HCED N[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1cccnc1 1835825964 PGXSKCFPHKDGHZ-KNQAVFIVSA-N 412.490 0.341 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4cncc4c3)CCO2)C1 1837073469 KHQZWVLIMDLFGN-NRFANRHFSA-N 411.462 0.954 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837399159 NPIILDKCHNPNGT-UWJYYQICSA-N 422.478 0.415 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1837440954 IYGPMRRXBUQAEG-FUNKKEAFSA-N 405.455 0.216 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837479974 VASDPJMSTSLFAZ-QRWLVFNGSA-N 414.466 0.037 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3C)CCO2)C1 1838261610 GPCMSLNMTHANEJ-HRAATJIYSA-N 419.453 0.637 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)c1 1838732847 BUANFUCEOMBLMY-QGZVFWFLSA-N 402.436 0.122 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)Oc1ccc(C)cn1)CCO2 1839053800 YEQLRGWHEXEACZ-NRFANRHFSA-N 401.463 0.637 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839223217 PQNJSQBKWKZSLR-SUMWQHHRSA-N 411.484 0.409 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839224911 RPPZMZRCYVUAQJ-YLJYHZDGSA-N 421.498 0.449 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)ccc4O)CCO3)C2)CCC1 1839449453 JZMNBIZTWBNYQX-NRFANRHFSA-N 415.446 0.862 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)c1 1839451783 NEPAWBOMKDKJPA-NRFANRHFSA-N 400.479 0.498 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756854 WRDKBNWQECLJTQ-RCVICEBOSA-N 413.446 0.474 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)C1 1839809405 OAYKOKVEAGSBTA-IBGZPJMESA-N 405.382 0.746 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)CC)CCO2 1839851913 NRMHXOYCLIPWLI-NJRZHNRPSA-N 407.511 0.737 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1)C(F)(F)F 1839893707 KXIRIPFJOLECOI-MAUKXSAKSA-N 419.444 0.903 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989361 YRAANZZJGUSFDV-FZKQIMNGSA-N 417.528 0.286 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840160195 AUSKPAWTQGMGLP-FPDPHYFHSA-N 419.547 0.476 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1)C(F)(F)F 1840359328 IGKIGJQCMACQCX-INIZCTEOSA-N 417.388 0.243 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cnnn1)CCO2 1840473987 DWLDUULBGNVRNS-OXQOHEQNSA-N 418.498 0.459 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)CCC1 1840812787 LJAILYBYIOJBRV-GOSISDBHSA-N 409.512 0.153 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)CCC1 1840814065 MPKMXWRGLNQHFT-NRFANRHFSA-N 424.461 0.722 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)CN3CCOC3=O)C2)ccc1F 1841484695 VHLLMRQOOFMKSH-UHFFFAOYSA-N 400.410 0.895 30 20 HCED CC(C)(C)OC(=O)N1C[C@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623785 CJNWSLILDSYUGF-IFXJQAMLSA-N 406.483 0.864 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnn3cc(C)cnc23)C1 1844057617 ZKPYHORGKAOQBW-WAYWQWQTSA-N 408.462 0.713 30 20 HCED COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796966 FYRQPSDIOSUKKB-UHFFFAOYSA-N 404.467 0.773 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CC[C@H](N)C(N)=O)C3)ccc1F 1845202578 OMIISOZUXLRJKR-INIZCTEOSA-N 401.442 0.036 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1847073268 CYAOZYDRNZWZSS-TWMKSMIVSA-N 417.506 0.999 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 409567318 LXSHNFRMIKQQKA-OCCSQVGLSA-N 402.498 0.057 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)C2)n1 435908271 NPMNBVOYEMCFPM-INIZCTEOSA-N 422.493 0.905 30 20 HCED COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 438082829 CQOFHSCOJHVWFJ-HNNXBMFYSA-N 402.451 1.000 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(C)C(C)(C)C1 440994512 UJNMUNYULMUGGT-INIZCTEOSA-N 400.531 0.594 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1Cc2ccccc2O1 460586305 NMBPOJAQUWCQBD-INIZCTEOSA-N 402.414 1.506 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2=O)n1 461359569 AFZADRLFFNAINR-MRXNPFEDSA-N 404.434 0.985 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1=O 467664749 XDBQASZLQYPASE-JKSUJKDBSA-N 412.446 0.162 30 20 HCED Cc1ccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1S(=O)(=O)NCC#N 474910231 NTSFYCJSESLLLL-OAHLLOKOSA-N 408.480 0.197 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)Cc1ccccn1 476724757 LPCGZJOVPCLJSG-AWEZNQCLSA-N 415.475 0.790 30 20 HCED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)nn1 476967309 JROQLXNYTAUAKD-UHFFFAOYSA-N 417.433 0.525 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1F 479101411 GCPRXLGHTHGRBK-AWEZNQCLSA-N 412.443 0.241 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)COCC3CC3)CC2)cc1 480105887 MWYGOIHWSDBXCJ-GOSISDBHSA-N 421.519 0.863 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C1CC1 480968906 ZOKBJKJCOQBLQY-UHFFFAOYSA-N 403.460 0.250 30 20 HCED CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481205271 FJGSTZFYPVRTDS-XJKSGUPXSA-N 424.548 0.899 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@]4(CCCOC4)C3)CC2)o1 483384269 NBHBGINGCJKHLT-YWZLYKJASA-N 403.483 0.773 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cc1 484595379 DKGSPNAFHGCQDA-UHFFFAOYSA-N 401.513 0.534 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccco3)c2=O)CC1 488993657 CSNCRAWPLPDTCU-CQSZACIVSA-N 413.499 0.878 30 20 HCED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 503537948 UDXDNPCLOOFWOI-SECBINFHSA-N 407.370 0.987 30 20 HCED Cc1cc(C(=O)NCCNS(=O)(=O)Cc2ccon2)nn1-c1cccc(C#N)c1 503618969 MYJCWKGIKJPJFJ-UHFFFAOYSA-N 414.447 0.890 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1c(N)nc(C#N)c1C#N 505430064 XASDJWCSDCNQFX-UHFFFAOYSA-N 413.463 0.438 30 20 HCED CCOCCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505510501 RVGPLRRIXQKNLE-GOSISDBHSA-N 413.478 0.944 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCOC2)n1 508307519 UOBQLCUHANYRHN-LBPRGKRZSA-N 418.841 0.973 30 20 HCED CCN1CCN(C(=O)CC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)CC1 510490457 MAXAVGKVZBOBNB-UHFFFAOYSA-N 402.503 0.126 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 510616837 RNHXXSCTFFUBEC-NSHDSACASA-N 402.489 0.456 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2CC)c1=O 512781548 SUSZJULMIFMSOH-UHFFFAOYSA-N 403.508 0.192 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513263904 SXHUJLYCZLUINC-UHFFFAOYSA-N 400.414 0.612 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 514645725 OMZDTFTZXRXCLZ-UHFFFAOYSA-N 411.483 0.895 30 20 HCED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 517425898 WKGPUNHVEUDZFO-HSALFYBXSA-N 423.517 0.861 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)C1=O 519141072 JSWCAHYCMPSULE-CYBMUJFWSA-N 420.422 0.643 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 537486861 CUUQLVUXENFSTP-UHFFFAOYSA-N 424.523 0.691 30 20 HCED COC(=O)[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 538268127 BYTSGGBSPHXYAX-QZTJIDSGSA-N 404.442 0.408 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 541360111 DBFUBMULJPYMFM-QGZVFWFLSA-N 416.478 0.703 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ncc(F)cn2)CC1 546189990 ULSJNPBGRMPYMQ-ZDUSSCGKSA-N 418.454 0.503 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)n1 546906600 BRFCOAQCOVUMIX-UHFFFAOYSA-N 412.837 0.993 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN4CCCC[C@H]34)C2=O)cc1 560021881 JZXPCUYJBIVSPH-GBESFXJTSA-N 409.490 0.518 30 20 HCED CCOC(=O)CNC(=O)C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 568132997 GXBOBJZSDVUHOO-UHFFFAOYSA-N 408.480 0.118 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 571989161 RKWBZEFTQGLVCO-QGZVFWFLSA-N 406.508 0.407 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 573174254 OJJPYKMYZZTROV-HZPDHXFCSA-N 409.512 0.975 30 20 HCED Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCCn1cnc(C#N)n1 577089532 WQKPQNJWYCVXJM-UHFFFAOYSA-N 419.511 0.118 30 20 HCED COCC(=O)Nc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 579532105 QYBXEVQXJCYYQP-UHFFFAOYSA-N 416.459 0.738 30 20 HCED CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868682 PONNDIJSCSGIKR-IBGZPJMESA-N 413.522 0.822 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590897391 QAZUJIKSDMJGRO-UHFFFAOYSA-N 403.847 0.727 30 20 HCED CCN(CCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)S(C)(=O)=O 604103161 LUWHXAWGPVNDJX-UHFFFAOYSA-N 424.527 0.927 30 20 HCED Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1S(=O)(=O)NCC#N 609664862 LHYYLRAFCWYEKL-GOSISDBHSA-N 419.551 0.649 30 20 HCED CCc1nncn1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 610113895 UCOPTHPECBTNDU-UHFFFAOYSA-N 416.507 0.929 30 20 HCED CC1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1CCO 614895278 VPKSJSYBZMAKFX-QGZVFWFLSA-N 413.478 0.678 30 20 HCED C#CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 733160818 ALLVLWHBDNQHIB-OAHLLOKOSA-N 401.463 0.843 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 746407173 WOVVFVOQBZBKRJ-UHFFFAOYSA-N 411.462 0.482 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)CC1 746494829 VNIHXWXNIFPZFE-UHFFFAOYSA-N 411.550 0.637 30 20 HCED O=C([C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 748741764 AWCYMPVVFFYRDR-ZDUSSCGKSA-N 408.505 0.249 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 749379865 RUPYDBYBGRTNRW-UHFFFAOYSA-N 410.496 0.752 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 749972119 POYUOIYGAADAFI-INIZCTEOSA-N 405.480 0.294 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)c2ccc(S(C)(=O)=O)cc2)c1=O 754747958 YQMRUQHABIKBDD-UHFFFAOYSA-N 406.464 0.041 30 20 HCED N#Cc1cnn(CCOC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1N 761154723 KRQZLJQFQMKDEZ-OAHLLOKOSA-N 419.463 0.651 30 20 HCED CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 764892219 YOXGHVJZSGNDDW-HIFRSBDPSA-N 408.480 0.962 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCNc2ncccc2C#N)C1=O 771308256 TYMOFXPPTONBKD-OAQYLSRUSA-N 422.445 0.957 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)c1cc[nH]n1 772358153 JHCFJBWLAKFOHP-ZIAGYGMSSA-N 412.468 0.262 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cn1 777171911 ITPKRTZHZVWFNQ-UHFFFAOYSA-N 414.373 0.564 30 20 HCED COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782131271 WUSQRDCZZRCTPD-UHFFFAOYSA-N 423.429 0.831 30 20 HCED C[C@H](CC(=O)OCC(=O)NC1(C#N)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 784229727 HTECBUTZUPYYRL-GFCCVEGCSA-N 404.448 0.609 30 20 HCED Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)n(C)n1 787775364 OZMXUHLDPWZKDV-INIZCTEOSA-N 410.482 0.309 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 787780199 ZWOKQFPHEOAAFR-MSOLQXFVSA-N 414.510 0.365 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 792445430 QHSFFAQXCGOMLE-QGZVFWFLSA-N 413.522 0.753 30 20 HCED CN1C(=O)CN(NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1=O 793056456 ZJRJRQMDCCXXDR-UHFFFAOYSA-N 423.433 0.905 30 20 HCED CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCNc2ccc(C#N)cn2)cc1 798317745 BEWHIABIZVIPLX-UHFFFAOYSA-N 403.464 0.408 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 799284923 QXPZWWHYWMUFLM-QGZVFWFLSA-N 418.469 0.713 30 20 HCED CCNC(=O)OC[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804235045 OEWZDHHMWZKZOI-ZDUSSCGKSA-N 408.480 0.852 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCCO1 807969153 MCOPIXMQSCLBQH-OKZBNKHCSA-N 419.428 0.869 30 20 HCED CN(C)c1c(C=NNc2c(F)cc(C(=O)NC3CC3)cc2F)c(=O)n(C)c(=O)n1C 807976117 GQVZGLNEUZOZRR-UHFFFAOYSA-N 420.420 0.766 30 20 HCED Cn1nccc1CCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 808018361 JJWJFFWQQYTQDN-UHFFFAOYSA-N 417.473 0.847 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCOC 812273909 NQOFXNFWDOGLHR-UHFFFAOYSA-N 417.462 0.509 30 20 HCED Cn1cc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c(O)n1 814212852 ZYKSGNVQBPHXNV-UHFFFAOYSA-N 410.412 0.501 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1 838816968 JOCVOMWAIHWKIC-UHFFFAOYSA-N 423.498 0.207 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1 839238380 XJLRRFZMUCAORH-UHFFFAOYSA-N 423.498 0.207 30 20 HCED COCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 917689555 DQCDMHCGXDMDFN-SDXDJHTJSA-N 417.509 0.499 30 20 HCED COCC(=O)NC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 1116010620 XXVYVTLEOJNXIA-UHFFFAOYSA-N 408.480 0.164 30 20 HCED CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1301794965 KERXFXOAHLPDSM-DLBZAZTESA-N 409.450 0.965 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1nnnn1C 1336717963 YMXSETBZMOQSIB-AAEUAGOBSA-N 405.484 0.541 30 20 HCED COc1cccc(C2(NC(=O)Cn3cc(C#N)c(O)nc3=O)CCOCC2)c1F 1448676341 OLZMQIRCEJWVHR-UHFFFAOYSA-N 402.382 0.790 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC(F)F)cc1 1555989401 JZBWMYKPXQQCQG-UHFFFAOYSA-N 424.433 0.433 30 20 HCED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1607425654 KJIDUEDTWQVYDE-CQSZACIVSA-N 405.480 0.315 30 20 HCED CC(C)N1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1608060244 QSCDELUUQMWKQT-KRWDZBQOSA-N 414.514 0.643 30 20 HCED CCN(CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1615444166 NHWKYWHNJXXSLI-CVEARBPZSA-N 410.544 0.641 30 20 HCED CC[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617429880 WEXYQWBANXWMET-WTCZBGTRSA-N 405.528 0.174 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@H](O)c3ccnn3C)CC2)CC1 1620444629 IUXDSUPXKVDTEP-FPOVZHCZSA-N 402.543 0.858 30 20 HCED Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1Cc1ccc(F)cc1F 1641034056 OHOIBCQLZFQLGI-UHFFFAOYSA-N 415.360 0.477 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1696096650 SNPZFNXIHJVSHE-HNAYVOBHSA-N 406.487 0.527 30 20 HCED Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)n1 1707613205 KWVZCZYFRYYVAL-RDJZCZTQSA-N 416.507 0.855 30 20 HCED COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1730587857 OQXFIJREXYPCLT-RXVVDRJESA-N 412.494 0.735 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1730762083 QNRNXPHAKSBUKY-LJQANCHMSA-N 419.507 0.861 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1767600060 WRSAFUDNWNKEFT-AWEZNQCLSA-N 423.481 0.724 30 20 HCED COC[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770745683 PYLMBITZLWTDBQ-BFYDXBDKSA-N 422.555 0.639 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N(C)C(C)=O)C1 1778102229 YNQRDHYPSVXRQK-LTVCHDBBSA-N 407.511 0.405 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1778886313 QGCZZSOOUIFMGS-GUXCAODWSA-N 409.483 0.649 30 20 HCED Cc1cc2nc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)[nH]c2cc1C 1778926930 WNWICMKQVBHSST-NRFANRHFSA-N 410.430 0.711 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780692034 IESOQAXJADNOCG-KOIKXXGWSA-N 408.458 0.860 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780807402 LIWXLJACZGLZMY-DOHHPOSVSA-N 410.515 0.826 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781050689 KFRIIFVVHWOGCN-FOUBCARRSA-N 419.522 0.808 30 20 HCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1782353481 RMDPJTYGKVJXNA-IIBYNOLFSA-N 418.494 0.246 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782408570 TYDFNNFIDAKJNM-OYHNWAKOSA-N 411.458 0.663 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782603977 WWYWEQFQWBDUGZ-AXHMDWHKSA-N 420.514 0.321 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1783567435 OXZXXOGPZZIJAT-MJGOQNOKSA-N 406.822 0.291 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1784039483 NXUZLHWPUJKBJZ-PGRDOPGGSA-N 410.474 0.722 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)ccn3C)C[C@@H]21 1784505132 YMCHHKWSGGAVEN-MRHSLFKSSA-N 403.479 0.570 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C(N)=O)C[C@@H]21 1785016178 PGGDKPDZJCUAOS-IHRRRGAJSA-N 419.507 0.088 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785547382 YSTWSLVZLBBJPZ-IBGZPJMESA-N 423.560 0.870 30 20 HCED CS(=O)(=O)Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cn1 1786366465 XGKHHDOBEZTPKP-XIRDDKMYSA-N 420.491 0.133 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn4ccnc4c3)[C@H]2C1 1788358350 YHYNLVUGMIVWBH-WNHJNPCNSA-N 410.474 0.966 30 20 HCED C[C@H]1Oc2ccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)cc2NC1=O 1789260084 ADCBMFUVLZWTGD-FHIHXZLISA-N 412.446 0.913 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CNC(=O)C4)[C@H]3C2)c1 1790860638 BHTXNBRDZBBTML-NQYYFHDYSA-N 410.474 0.596 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc4c3CCCO4)C[C@@H]21 1791075624 GJZZMGXDUQZDDK-NOLJZWGESA-N 418.471 0.754 30 20 HCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]21 1791272366 JWQNJXXLLQREOA-ULQDDVLXSA-N 416.478 0.041 30 20 HCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]21 1792174765 RROLVHIDUQXNTN-JKQORVJESA-N 409.483 0.223 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1792884279 FYBCNHPKTHYBOO-LXTVHRRPSA-N 424.498 0.011 30 20 HCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cn2nc(C)sc2n1 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C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)C2 1800455549 GFPAVTKEQRVKPL-CWPLJXCYSA-N 400.454 0.660 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C(=O)N(C)C)[C@H]1c1cccnc1 1802481327 JGJGPEABIMIWLH-QUHFKBAASA-N 413.478 0.034 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806764192 QAWNUFKWCXTIMC-HFTRVMKXSA-N 407.492 0.170 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)ccc1F 1808268085 OCXQDXPGBAOVLH-LRQRDZAKSA-N 424.480 0.627 30 20 HCED O=C1NC(=O)[C@@H](CC(=O)N2CCC3(CCCN(C(=O)C#Cc4ccccc4)C3)CC2)N1 1809294335 HDOKECLFMADANE-GOSISDBHSA-N 422.485 0.867 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)Cn3ccnn3)[C@H]2c2cccnc2)c1 1811535395 JPLDTZRFVQLNKA-APWZRJJASA-N 404.434 0.893 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@H]1c1cccnc1 1813326948 LQNILIBRFKNJBG-IUSZMWJPSA-N 421.457 0.704 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1820896969 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LHXXZOVGTQMPMR-LIRRHRJNSA-N 409.508 0.786 30 20 HCED CN(C)CC(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834465513 UHORVVHXRXGVRO-HYARGMPZSA-N 403.527 0.832 30 20 HCED C[C@@H](CN)C(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834661172 MIKLZWPANNSNBY-SFHVURJKSA-N 418.582 0.851 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(F)c1)CCO2 1835143784 GKGZDXNXYPVBKZ-FQEVSTJZSA-N 422.384 0.052 30 20 HCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cn1 1835359284 BSVIBNRUXWSCQJ-FQEVSTJZSA-N 401.467 0.521 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835512535 PWPWIGSJVHRHLO-BEFAXECRSA-N 410.540 0.838 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CN)c1ccccc1)CCO2 1835823760 ZOGALOHETOBYBP-RIFZZMRRSA-N 407.536 0.504 30 20 HCED C/C=C(/C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837530605 OAVOSWZUZSWLNN-ZLLLMFAASA-N 409.483 0.938 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1837798849 FUUHNDFLLNDWDA-ACJLOTCBSA-N 407.427 0.600 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838031014 VUCCRBMVGGWECY-QFIPXVFZSA-N 423.473 0.955 30 20 HCED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580905 WGFMDBBAUKHCME-OAQYLSRUSA-N 417.462 0.673 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774213 PLKMHRTWWTXGGM-IBGZPJMESA-N 419.522 0.946 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1 1838829973 BFOQQRHLOQAKNB-HXUWFJFHSA-N 415.450 0.249 30 20 HCED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187869 CLANPGYVRLNPTE-JLTOFOAXSA-N 405.426 0.077 30 20 HCED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839832276 SSMLBKPNZZMPMJ-NRFANRHFSA-N 415.446 0.373 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1839889138 DQNVTJGPHLLFAQ-RDTXWAMCSA-N 415.437 0.345 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839889407 SERBUXWMZQSQLY-SFHVURJKSA-N 412.437 0.928 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1)C(F)(F)F 1839895383 ZDAUSHGZHGKHAX-QGZVFWFLSA-N 416.400 0.538 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccs3)C2)C1 1840040835 ANKBAZZIWJLECV-IBGZPJMESA-N 406.460 0.225 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840194139 BFLFJRPKKXECLM-IBGZPJMESA-N 412.508 0.454 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840293181 LMWUEEZZNWWNTL-OXJNMPFZSA-N 408.499 0.083 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840323369 DIWPCQXLZHDGAE-OAQYLSRUSA-N 420.510 0.782 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840428746 VKNQGQPMZKAVHM-UWJYYQICSA-N 400.479 0.389 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840843077 SLYAXOORBGCDSL-FQEVSTJZSA-N 401.419 0.294 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1841598855 HUDZSJFCQGGUCW-KBPBESRZSA-N 414.462 0.234 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1841601489 POBUSMIAJPVDCZ-INIZCTEOSA-N 400.479 0.529 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842240074 SSRMAAZJYZFOTR-HNNXBMFYSA-N 419.503 0.482 30 20 HCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809033 GAVKMMGNYFTNLV-UHFFFAOYSA-N 409.483 0.190 30 20 HCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1847041048 HUMWWZJVYMKJAV-OAHLLOKOSA-N 422.482 0.950 30 20 HCED CCCCn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccc(C#N)cn3)CC1)n2C 60481349 OCFSBBCCHCUJNA-UHFFFAOYSA-N 422.493 0.812 30 20 HCED C[C@@H](C#N)CN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 148208836 DJRUPFWUSAQPHF-INIZCTEOSA-N 406.508 0.918 30 20 HCED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCCS(N)(=O)=O)c2)cc1 429474743 RMENPNIKVOLAKW-UHFFFAOYSA-N 416.459 0.675 30 20 HCED Cc1c([C@@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cnn1C 431208729 PMPMMWKPGUCKTP-LPHOPBHVSA-N 407.478 0.863 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)COC)nnc12 432727356 GPSDNMCSCWKIRU-GFCCVEGCSA-N 403.464 0.446 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 438756589 NXNCJUYTEPHBMW-CQSZACIVSA-N 418.541 0.362 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H](C)CC#N)c2)CC1 438877725 QEKRWKJRSAHXJL-AWEZNQCLSA-N 407.496 0.370 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)n2)c(F)c1 439208476 XJVGEUGQODRWOQ-GOEBONIOSA-N 410.409 1.091 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 475617984 LFNLNMUIRZXOSD-UHFFFAOYSA-N 413.438 0.018 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2Cl)OCCO3)CC1 491030837 CGCCAOQEYMUFJI-UHFFFAOYSA-N 422.869 0.496 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 498175801 FSHWKAOOCIBHBG-HZPDHXFCSA-N 406.508 0.599 30 20 HCED Cc1onc(CC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1C#N 499781082 NIKZKBCNYXPXPG-UHFFFAOYSA-N 403.464 0.972 30 20 HCED Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 500248290 BAUHYDXOOYNYND-UHFFFAOYSA-N 416.404 0.760 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1=O 500624444 OZLNKDUSOQPIOF-JTQLQIEISA-N 422.800 0.677 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3CCCS3(=O)=O)C2=O)cc1 503234385 VWFXREJMBRIFNY-MRXNPFEDSA-N 405.480 0.388 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 505276807 AGUXSPVXPWRUJO-CQSZACIVSA-N 407.473 0.301 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)CC1 508871954 HRUHGIBUHWOFTC-UHFFFAOYSA-N 410.525 0.537 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)NCc2ccc(C#N)cc2)C1 522418182 IZGWLRZNWIBQIO-SFHVURJKSA-N 400.479 0.908 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1C#N 525173658 ZXDVZTMEFFQDMA-UHFFFAOYSA-N 424.482 0.394 30 20 HCED C=CCN(CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)[C@H]1CCS(=O)(=O)C1 533524250 NBCCXJUFVZVRHC-AWEZNQCLSA-N 415.537 0.564 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 534531450 HNDZLYGRGGWREP-UHFFFAOYSA-N 402.480 0.870 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CC1 541580337 DZRVYRIIOHNGRH-MSOLQXFVSA-N 423.514 0.287 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(N(C)C)CCOCC1 544156536 JEPZASAFAPTBBC-UHFFFAOYSA-N 404.467 0.749 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c(C(F)(F)F)c1 548584794 LNHXSMYFSIUECD-JTQLQIEISA-N 412.367 0.449 30 20 HCED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 549668555 ZZDSKSJBCHRTBW-HHARLNAUSA-N 423.539 0.801 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CCN1Cc1ccccc1 550069175 SSJVSQZRFYPLPB-GOSISDBHSA-N 421.505 0.857 30 20 HCED CN1CC[C@@H](N2CCC(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1=O 552045459 HLLIKALGMXKTLZ-GOSISDBHSA-N 418.519 0.284 30 20 HCED COC(=O)c1cn(CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)nn1 556529903 FQKZRTXASFKBKE-UHFFFAOYSA-N 418.413 0.614 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)CCC#N)cc2)C[C@@H](C)O1 556995376 FWWSBNGVJUJJHV-OKILXGFUSA-N 408.480 0.795 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 562116021 BKVPOWDHMQFKRE-HIFRSBDPSA-N 413.521 0.508 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 565921853 FVDLLFLPIKXKSU-GXTWGEPZSA-N 405.398 0.856 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 566698902 QXHGGUSKMBWSER-IBGZPJMESA-N 411.506 0.720 30 20 HCED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2sccc2C#N)c1 567573976 SGKVORILWNXYHS-UHFFFAOYSA-N 422.488 0.799 30 20 HCED CC(C)(C)n1ncnc1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 568673355 LOQHBZUBDQKSCA-INIZCTEOSA-N 423.477 0.833 30 20 HCED COCCn1cc2c(n1)[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CCC2 571935340 POFFESJXVMJIQR-QGZVFWFLSA-N 417.491 0.873 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC(=O)NCC#N)cc1 577428136 ZBEFTKPDXVMKGH-MRXNPFEDSA-N 406.464 0.188 30 20 HCED CCc1nsc(N2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)n1 580399321 FSLIAUWOVRTHKA-UHFFFAOYSA-N 402.484 0.806 30 20 HCED CN1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCC1=O 583582637 VWYHPUZFXIXIMN-CABCVRRESA-N 401.442 0.519 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CC1 585720971 UTMUCUQLVJHZGL-UHFFFAOYSA-N 422.445 0.488 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)Nc2ncccc2OCCCC#N)CC1 615554652 VDPAGFZYFHUJLK-UHFFFAOYSA-N 410.500 0.463 30 20 HCED COCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 619566089 DENFZIGNTHESIU-UHFFFAOYSA-N 420.535 0.750 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOCC3)c3ccncc23)C1=O 623215491 SQNFYEPPIJKEKF-UHFFFAOYSA-N 423.429 0.987 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCn2cc(CO)nn2)cc1 685527035 GUXBGUSNLMCVCZ-UHFFFAOYSA-N 408.484 0.789 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 728880623 AAOLAWLZOGBMFO-UHFFFAOYSA-N 420.535 0.224 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)s1 731204322 HERCZJJAFBHPLY-UHFFFAOYSA-N 408.530 0.110 30 20 HCED Cc1c(C#N)c(NC(=O)COC(=O)CN2CC(=O)NC2=O)n(Cc2ccco2)c1C 731913445 RNIGWEYCQIAUGE-UHFFFAOYSA-N 413.390 0.651 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1cccs1)N1CCOCC1 732439809 QLISYKGICHERFZ-IAFNSTAXSA-N 419.507 0.947 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCOC 732795467 ITOYZWUWZFAASI-UHFFFAOYSA-N 401.492 0.139 30 20 HCED CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732898080 IHVJJKLJJMXLRT-VDVBZYJVSA-N 410.496 0.715 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 733301188 OKFYBCZDSOMJRZ-INIZCTEOSA-N 405.480 0.294 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 741410638 JAKMFZBGVRPQQR-CILBIJLJSA-N 413.478 0.449 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 746105817 IGQKKBBEPBDNRM-QZQOTICOSA-N 408.462 0.895 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 746455343 RWXJJVPOBXZKJD-UHFFFAOYSA-N 402.432 0.127 30 20 HCED N#Cc1cnn(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1N 746888760 GAQJAJVRSAFJLK-UHFFFAOYSA-N 416.463 0.290 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)n2N)CC1 749874562 NCCRUWBITYNIMB-UHFFFAOYSA-N 416.507 0.546 30 20 HCED Cc1ccc(-c2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)co2)cc1 755802943 CUJCLKXCBVTGSY-UHFFFAOYSA-N 403.420 0.360 30 20 HCED CCCCc1nc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(Cl)[nH]1 755803841 JOKIXFAIMOAWHA-UHFFFAOYSA-N 402.864 0.116 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 758646420 XPNCONOYJVEEPJ-YPMHNXCESA-N 413.456 0.093 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 758693049 ISHOANWJPOBVIQ-UHFFFAOYSA-N 422.463 0.540 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1ccccn1 763459624 AYEURTBZMZVKIS-UHFFFAOYSA-N 419.510 0.691 30 20 HCED C#CCOc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 768249991 KTFGTULRHIBFJK-SFHVURJKSA-N 412.533 0.333 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)CNC(=O)c2cccnc2)c1 768838298 WQOADHDHVBTFSA-AWEZNQCLSA-N 401.444 0.968 30 20 HCED CN(CC(=O)NS(=O)(=O)CC(C)(C)C#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1 776142868 BOTDRRQBOYMJLU-UHFFFAOYSA-N 418.453 0.211 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 783480813 VBKIQGBEAXSCEN-RHSMWYFYSA-N 420.487 0.626 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 783547491 KMHZYMLZWBSGOR-UHFFFAOYSA-N 417.281 0.892 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)c1 791008840 RGFACFSVVILJEK-MOLDEKSUSA-N 422.507 0.667 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 792470207 HSGVEALLQKARHO-UHFFFAOYSA-N 416.455 0.720 30 20 HCED N#CCc1cccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CC3)cn2)c1 794581160 QOSDLDFSDGAHRA-UHFFFAOYSA-N 407.477 0.894 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 803864642 XJZBDUMNCWVWQZ-OAHLLOKOSA-N 416.415 0.076 30 20 HCED CCOC(=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 804401197 GZQOMDFVYITFSK-UHFFFAOYSA-N 414.466 0.339 30 20 HCED CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NCCn3cnc(C#N)n3)C2)CC1 805823489 IGAHCCOIQQSDHU-OAHLLOKOSA-N 418.502 0.486 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 807356696 GAURNPWYWWVALI-RNODOKPDSA-N 416.409 0.755 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 808798890 VSYNUFCKZSRUNU-UHFFFAOYSA-N 416.297 0.868 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)[C@H]1CCCO1 809307246 BLNWPKGXLQNVGQ-ZWKOTPCHSA-N 401.438 0.797 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 918787034 PVMVRCAPLCSCMX-WBMJQRKESA-N 403.414 0.797 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1=O 920394701 AKOZVVJGSMLJCC-UHFFFAOYSA-N 414.399 0.262 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC(=O)N2CCCC2)C1=O 1251614481 CYGQLFBKPWODGJ-RHNCAKJLSA-N 403.508 0.683 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)CC1 1256244145 DYWIHANUVRVUMI-UHFFFAOYSA-N 410.471 0.230 30 20 HCED Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)n1 1290345207 XBQXTNAJMXPACA-NWDGAFQWSA-N 411.513 0.430 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1299302801 ZEPPTJKDSKDZAT-CQSZACIVSA-N 410.887 0.876 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(C)(=O)=O 1303637485 WRVVDIXCSZZLME-AWEZNQCLSA-N 416.511 0.804 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1306260601 NSKOJVAYLYWSGP-INIZCTEOSA-N 421.465 0.620 30 20 HCED CCCNC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1313481336 QCXUJLUYLFDYHN-RDJZCZTQSA-N 401.515 0.875 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)N2CCCC2)C1=O 1318280610 OZQMEKCOTDEDBT-CQSZACIVSA-N 417.491 0.476 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2C1 1324552679 YHAOKHJLWIPQCY-MRXNPFEDSA-N 424.509 0.458 30 20 HCED COCCN(C)CCN1C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1=O 1457856810 OGBLFFOANKXELY-YWZLYKJASA-N 410.515 0.543 30 20 HCED C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1508424904 ROZOHSXULYTEAA-OAHLLOKOSA-N 403.512 0.895 30 20 HCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1509786262 SAFAYBPQYWGUNU-GJZGRUSLSA-N 412.516 0.576 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c(=O)nc1O 1545180929 MNIOYILXOLGAFF-LBPRGKRZSA-N 421.335 0.761 30 20 HCED CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)CCOC1 1547857436 WOHVGPSEAIHMTB-RHSMWYFYSA-N 414.532 0.560 30 20 HCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1 1555817983 MNDQSERUWHFHCP-IBGZPJMESA-N 416.507 0.983 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@H]2C1 1589394765 OKTXLHGVULDFLZ-RYUDHWBXSA-N 409.288 0.949 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 1641699248 VXAHYMUDJLIZSU-SFHVURJKSA-N 411.437 0.461 30 20 HCED COC(=O)C(C)(C)n1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1647796957 NEWINPMVOCJGHE-UHFFFAOYSA-N 405.436 0.468 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)NC2CC2)C1 1698486858 UFDVAEPNRNFZPF-IBGZPJMESA-N 403.462 0.901 30 20 HCED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC#N 1751006423 UGMQAWYBVDQCAB-AWEZNQCLSA-N 411.532 0.467 30 20 HCED Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C(N)=O)nc1 1762607890 WXNGJUSIQSMFIB-UHFFFAOYSA-N 403.450 0.722 30 20 HCED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCO[C@@H]1C 1771113276 PDJFHWHNFRBUNH-BEFAXECRSA-N 406.487 0.307 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnoc2COC)C1 1778341471 GPNZOQWIJBQTRY-FQELHTAISA-N 419.478 0.987 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778843293 ARSYFEOJMLRDCE-FQEVSTJZSA-N 402.499 0.918 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)cc3)C2)C1 1780729863 BDZRFAGPPYKLAN-BVGULUMVSA-N 413.474 0.997 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CC#N)cc2)C1 1781011220 KKRYETLZAZYKMJ-XMSQKQJNSA-N 412.490 0.968 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781174866 UJNAYRWGMDGDTF-UGKGYDQZSA-N 414.506 0.937 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)CCO2 1781270735 UVNOOHTVZHHXMU-OAQYLSRUSA-N 418.494 0.935 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnn3c2CCC3)C1 1781280354 WBZJEGNKUMTRRI-DKZVUGQWSA-N 414.506 0.995 30 20 HCED C=CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2)C1 1781343411 VZVVMESSPZAODL-MGPUTAFESA-N 411.499 0.668 30 20 HCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1781693476 MFZAGJKAPASEMF-XMSQKQJNSA-N 410.474 0.487 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C2)C1 1782088958 XZMOLBVSOQKQAY-LJQANCHMSA-N 401.375 0.458 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1782635208 CXSSHFKQXVFAGU-HXUWFJFHSA-N 410.434 0.458 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)CCO2 1783056066 MCROJQJHEJBVKE-GAPZROTKSA-N 403.479 0.562 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1783195867 ZJEDDHXVUSBPMR-SFHVURJKSA-N 401.454 0.750 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783914465 SACUPLVKCGUUNO-CKJXQJPGSA-N 423.510 0.763 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1784534663 GZZXNOIZOIZCOY-YXWQFLTLSA-N 400.545 0.192 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)c1ccc2c(n1)OCCO2 1787380778 OMLITPARMHUFKU-BXWFABGCSA-N 411.458 0.860 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)OCCO4)[C@H]2C1 1787813723 RWDOKBMCGIIMKO-MPGHIAIKSA-N 414.414 0.139 30 20 HCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)n(C)c(=O)n4C)[C@H]2C1 1787962014 UVZJYCVUYSKWMY-ZWOKBUDYSA-N 424.501 0.884 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@](C)(O)C(F)(F)F)C[C@@H]21 1788569948 GMLJENYOGFFLGC-FVYYAMPBSA-N 422.444 0.853 30 20 HCED 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CN1CCN(CCC(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CC1 1842828151 SZEBFXZCPDWRDF-INKLHFNDSA-N 421.542 0.356 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845108905 WUHZTDFJMNAGNW-IHRRRGAJSA-N 413.540 0.736 30 20 HCED C[C@H](NC=O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1845178151 WKYYNMXGHBDVSR-NSHDSACASA-N 409.368 0.924 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(Br)c1 21947693 ZORKGVKCWIHMRF-JTQLQIEISA-N 403.254 0.409 30 20 HCED Cn1c(NCCCNC(=O)c2cccc(Br)c2)c(C#N)c(=O)n(C)c1=O 301154113 QOWJLRBKLYCWEI-UHFFFAOYSA-N 420.267 0.950 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 427287738 MDPOGUBPCNGSPR-CQSZACIVSA-N 411.480 0.471 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)C1=O 440260109 VAURSAIQXOLEKK-QGZVFWFLSA-N 414.462 0.343 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C1=O 440276261 MGUISIKAVFYWPB-OAHLLOKOSA-N 408.480 0.550 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(C)(C)O)[C@H](C)C3)CC2)o1 444802087 LWEUFHGKJDXMCA-OAHLLOKOSA-N 404.515 0.280 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 446525966 DKPSXVCHXMFSEO-HUUCEWRRSA-N 409.439 0.831 30 20 HCED CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)CC1 448242060 PMEMJWWXUOGNQD-MRXNPFEDSA-N 417.441 0.574 30 20 HCED CCCNC(=O)C1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460594553 BJOJWXSEDKVEMY-UHFFFAOYSA-N 423.477 1.151 30 20 HCED CCC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CCN1C(=O)[C@H](C)n1cnc(C#N)n1 467417476 GBJBOFAXUKWEEK-QLFBSQMISA-N 424.469 0.275 30 20 HCED Cn1nnnc1N1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476010418 NIEXCVAPVCFGGL-QGZVFWFLSA-N 408.466 0.358 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 477600062 RZXGXBSUKHAFOX-UHFFFAOYSA-N 415.493 0.230 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 478312356 QRQCVOPZURABCI-MRXNPFEDSA-N 406.508 0.673 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC2CCOCC2)CC1 482219876 SQSJZAZNMPUIKO-MRXNPFEDSA-N 420.535 0.796 30 20 HCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC(C)(C#N)C2)c1OC 482598936 UWOBSUHZDUWSGL-UHFFFAOYSA-N 409.464 0.710 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 488068616 BAZDCIMVTKKRBA-SFHVURJKSA-N 408.524 0.547 30 20 HCED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@@H](Oc2ccc(C#N)cn2)C1 488993962 PKKIDNQOUKVIOF-CYBMUJFWSA-N 422.488 0.662 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1=O 499985015 BMCXDWULHXPWQV-INIZCTEOSA-N 408.524 0.903 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 503306762 AHWZXSXQORUBMO-UHFFFAOYSA-N 413.434 0.107 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN(c4ccccc4C#N)CC3)[nH]c21 505626954 YRSRLPJEVLJFBX-UHFFFAOYSA-N 407.434 0.515 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2cc(Cl)ccc2OC)c1=O 510360541 HKUBZNHMPZEYBW-UHFFFAOYSA-N 420.853 0.522 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 512319122 GAMTZYRGMWBNHN-UHFFFAOYSA-N 418.479 0.471 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)N[C@@H](C)CCC(C)C)C1=O 519131251 GUWPCDWUBDYPLO-KBPBESRZSA-N 424.523 0.806 30 20 HCED CN(Cc1nnnn1C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 519173124 KTSVSVFRAGBLPV-OAHLLOKOSA-N 409.454 0.925 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 520395155 BRLCSTPCWAMBLB-UHFFFAOYSA-N 419.485 0.749 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 524749103 GIZYFYDVIDWERP-UHFFFAOYSA-N 400.460 0.439 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN(C)C2)cc1 527079465 TUIFSWVESQYNMV-OAHLLOKOSA-N 408.524 0.890 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 527097700 LPIBXAVBVUJPEA-UHFFFAOYSA-N 411.480 0.689 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 531841642 NHKYVRWVRRKKAW-INIZCTEOSA-N 420.535 0.856 30 20 HCED COc1cc(NC(=O)NCCCc2[nH]nc(N)c2C#N)ccc1S(=O)(=O)N(C)C 534599524 HXTSSIVFUNOCGU-UHFFFAOYSA-N 421.483 0.877 30 20 HCED C=CCNC(=O)CNC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 539722960 DWLORLINCQHPQA-UHFFFAOYSA-N 412.475 0.741 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 545460635 SICHKNFUJSCHCT-AWEZNQCLSA-N 404.434 0.584 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@@H]3CCOC3)CC2)n1 546206435 QSALXLWDPNLEDD-HNNXBMFYSA-N 409.450 0.474 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)nc1 550763462 GFUIJYLINAKGRR-QGZVFWFLSA-N 407.430 0.478 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccn4)c3)C2)nc1 551431325 UAFXQKRVXBPLFI-HNNXBMFYSA-N 404.390 0.547 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 552504250 PEDFOBNBUMRHNE-IAGOWNOFSA-N 410.584 0.861 30 20 HCED COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 556031438 ZKXRIMBTBCKELG-UHFFFAOYSA-N 413.438 0.860 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)CC1 559850144 RJOLFCZPVCIDNC-UHFFFAOYSA-N 407.559 0.250 30 20 HCED CN1CCC(Oc2ccc(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 568540554 JAVBGFLLRZYEHL-UHFFFAOYSA-N 410.478 1.525 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(c3cccnn3)CC2)cc1 570767373 NOWGZJYJUNZSJY-UHFFFAOYSA-N 400.464 0.412 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)CC1 574792126 UKJLXZFVCLYFLX-AZUAARDMSA-N 414.506 0.327 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 576689735 BUXGIIPOVRRDMQ-UHFFFAOYSA-N 402.480 0.650 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)cnc21 577457276 AOQDSHJYNMTGFG-KBXCAEBGSA-N 419.463 0.650 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 594742423 BQRBCLVXBZCIJH-GJZGRUSLSA-N 408.524 0.841 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cn2)CC1 609565966 SXHCXJBVWFEDJA-UHFFFAOYSA-N 421.504 0.836 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2ncccn2)CC1 610798831 VHEZKQGHQNWMBG-AWEZNQCLSA-N 414.491 0.800 30 20 HCED N#CCc1cccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 619495725 TVMFWIFVNNBQGC-QGZVFWFLSA-N 413.521 0.568 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c1=O 677123555 GTOHDHFPCJRAHX-UHFFFAOYSA-N 415.519 0.333 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 728573548 QGKYPBQUFCYWFW-UHFFFAOYSA-N 410.440 0.945 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 730396049 LDCBGMOSCCVZMP-ZFWWWQNUSA-N 410.496 0.531 30 20 HCED Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N(CCC#N)CCN1CCOCC1 733142584 MKIGATQGPWFGSP-UHFFFAOYSA-N 400.483 0.495 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 734138974 OFEMYHUDAWKCCQ-AWEZNQCLSA-N 423.491 0.686 30 20 HCED N#CC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCOCC1 734453502 KUXUECMDLJINLZ-CQSZACIVSA-N 419.459 0.813 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1 737306868 VQESIZWPANTXOT-UHFFFAOYSA-N 415.471 0.536 30 20 HCED CC(C)CNC(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 741440294 BBBOSJUJWMHOKA-GJZGRUSLSA-N 412.512 0.030 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc1 742190385 GHANJKKOFSLVKM-AWEZNQCLSA-N 406.533 0.847 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cn(CC(N)=O)nn1 745468412 NFUKNVDYKYOZBM-NSHDSACASA-N 402.436 0.811 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)c1 746223477 ABAQVAKOSKKONE-OAHLLOKOSA-N 422.463 0.951 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 747741635 JGQSMOOHLOBTCX-UHFFFAOYSA-N 415.471 0.595 30 20 HCED Cc1cn2ccnc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)c2n1 763597609 LODIBQMUJBPFBT-UHFFFAOYSA-N 409.406 0.711 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)CC1 766816321 LRIRRPFYBKLXRC-UHFFFAOYSA-N 424.914 0.137 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 769215680 KFOMPRLFQBRYDX-SCLBCKFNSA-N 406.464 0.823 30 20 HCED C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)C2=O 771076930 BZIJQHWHHOVJAW-CHWSQXEVSA-N 410.496 0.873 30 20 HCED CCCn1c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc2ccccc21 771897409 MDNRVQVHCJTLLH-UHFFFAOYSA-N 404.452 0.156 30 20 HCED COC(=O)c1cc(C(C)(C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 773474236 WHMRIPNMAKJCBX-UHFFFAOYSA-N 420.447 0.941 30 20 HCED C=CCOc1cccnc1C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 775111572 BQODKCMWGBZJLH-UHFFFAOYSA-N 416.434 0.785 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)CC1 777765438 QUOIEIFUSGXCJE-UHFFFAOYSA-N 412.556 0.608 30 20 HCED CN(C)C(=O)NCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 781442015 WREMDTVHNAQGEH-RCCKNPSSSA-N 410.500 0.892 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 783480235 IKUIQVKFXINUMC-OAHLLOKOSA-N 404.423 0.599 30 20 HCED Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCC(=O)NC2(C#N)CCC2)CCCC1 786300222 VGSMVVQTKAJRMA-UHFFFAOYSA-N 424.479 0.988 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CCc2cccs2)CC1 787776687 JWTXYUGOXSHZRP-UHFFFAOYSA-N 412.519 0.930 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 787788109 UJSFXGWTQJNIJQ-QGZVFWFLSA-N 406.446 0.793 30 20 HCED C[C@H](CC(=O)NCC1(S(C)(=O)=O)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 794000102 YQVCTEPKPGFEJF-GFCCVEGCSA-N 413.521 0.587 30 20 HCED CN(C(=O)COC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(C)(C)C#N 795841686 SFHOAAVQRBVSJC-INIZCTEOSA-N 403.357 0.922 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800630294 ATTVDFZSXCDIDJ-UHFFFAOYSA-N 407.474 0.901 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)c2C1 801287985 MGFAFOACXGXANN-MRXNPFEDSA-N 407.478 0.811 30 20 HCED Cc1cnc(COCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)o1 803900097 LYVZXTQVIWCXHP-UHFFFAOYSA-N 403.395 0.560 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 804266938 UDYNRYPBHDUIAN-HNNXBMFYSA-N 416.482 0.997 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cnc(C#N)n1 804620626 RZJVKSWBSQICJA-CQSZACIVSA-N 415.479 0.563 30 20 HCED Cc1nc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Br)n1C 804994159 ZSBNMYHGTDJKQO-BENRWUELSA-N 418.273 0.296 30 20 HCED C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 805062312 VPEUYZBLCCVNKC-HOCLYGCPSA-N 407.515 0.852 30 20 HCED CS(=O)(=O)NCC1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 807311560 BSXJQXIEMZYCTB-UHFFFAOYSA-N 412.443 0.454 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C(C)(C)C 807534352 FIHUMEWPHIQOAW-OAHLLOKOSA-N 421.523 0.266 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)cc1 808139801 PVFQPZILEIHSML-GOSISDBHSA-N 418.519 0.023 30 20 HCED CC(C)OCc1nc([C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 812378351 GXYZKWRNKYJJPA-LLVKDONJSA-N 407.452 0.911 30 20 HCED N#CCCNC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 913328710 ROCMFLFGJJYCOV-HNNXBMFYSA-N 424.435 0.711 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914655571 XWQDQPBUEUZKIX-ZNMIVQPWSA-N 400.497 0.378 30 20 HCED COc1c(F)cc(CC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1S(N)(=O)=O 915545270 YGDHHGSFPGMKTI-UHFFFAOYSA-N 401.416 0.328 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)N(C)C 1288862102 HFUMRNMVOBFFHI-OFQRWUPVSA-N 424.575 0.015 30 20 HCED N#Cc1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C(F)(F)F 1326320947 YYUIJDSGOUUZLH-SNVBAGLBSA-N 410.395 0.654 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 1475479007 UYYLOVIJPXDIEH-IKGGRYGDSA-N 401.577 0.880 30 20 HCED COc1ccccc1NC(=O)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1540703759 LUQLISZZOTVNCF-UHFFFAOYSA-N 411.418 0.706 30 20 HCED Cc1cc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)nn1-c1cccc(C#N)c1 1569041747 RLAQCPUMECXPLY-MRXNPFEDSA-N 402.480 0.840 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2C#N)CC1 1615744535 UDBZSGJSCGOFHK-SFHVURJKSA-N 411.524 0.670 30 20 HCED COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619775854 VWEXZEVZYCGSBE-FTRWYGJKSA-N 417.514 0.193 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)n1 1625633155 MRRBSUWHHCJNOE-UHFFFAOYSA-N 421.259 0.966 30 20 HCED 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20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838495674 XZNQCAKLSYSULH-FQEVSTJZSA-N 410.434 0.455 30 20 HCED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)COC1 1838739867 AHBGFIBPUZOECE-HXUWFJFHSA-N 402.451 0.383 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncccn4)C3)C2)c1 1838906249 BNXNTVBJOIIOKX-OAQYLSRUSA-N 407.430 0.732 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839223152 OGPLTOXMRJCTAQ-OGNFBWPZSA-N 413.515 0.651 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)ccc4F)CCO3)C2)CC1 1839294658 BOWVHLXWVLMDJN-HXUWFJFHSA-N 403.410 0.905 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1839451068 XCIDFHYNNOUEDB-QFIPXVFZSA-N 411.458 0.916 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1839550220 WOIJAWRXHOFAFT-OAQYLSRUSA-N 411.462 0.521 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(=O)OC(C)C)C2)C1 1839807075 LIYBWFRPFNMBKC-OAQYLSRUSA-N 415.446 0.350 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1)C(F)(F)F 1839891670 RMZLQBNPGFFXKB-CXAGYDPISA-N 408.417 0.968 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C3CCCCC3)C2)C1 1840043505 CMXIEQXQOZFDSZ-IRUYWQDXSA-N 404.463 0.667 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840129517 XHBQPJCVGNMFQW-IIBYNOLFSA-N 422.526 0.340 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840160938 ZCOZHDLTVIROAD-AUUYWEPGSA-N 404.492 0.723 30 20 HCED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840522264 JBTHEOZWOBNLHL-FQEVSTJZSA-N 410.515 0.151 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)C1 1841171651 UFMCWQOFTBFSAP-HNNXBMFYSA-N 404.488 0.945 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1844656327 FUCVVCNDVIEGNT-OAHLLOKOSA-N 413.478 0.721 30 20 HCED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)c3ccc(CC#N)cc3)C2)c(=O)nc1O 1845413304 BLIOXROJQRTFSN-UHFFFAOYSA-N 421.457 0.841 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c1 1848130501 NQJRKBOCYUKTQH-IEAZIUSSSA-N 409.446 0.727 30 20 HCED COC(=O)C1CCN(C(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 17223240 PGFWEXWBUBQMJH-UHFFFAOYSA-N 403.435 0.751 30 20 HCED C=CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 48619615 QGYDEJGEXLQFGO-ZDUSSCGKSA-N 409.464 0.501 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 409552021 FUOWJGNSFMYIKD-ZDUSSCGKSA-N 420.944 0.983 30 20 HCED C[C@H](C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)n1cnc(C#N)n1 409688342 SYCMOBFPFIIDTN-DYVFJYSZSA-N 410.434 0.658 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1=O 410179194 QSTFBVVIYQKDIW-HNNXBMFYSA-N 410.452 0.461 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 430399782 HTAPHHQGMRIEPL-OALUTQOASA-N 406.571 0.960 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@](C)(C#N)COC)c1 433965118 AHPKECVHCBJTCT-SFHVURJKSA-N 410.496 0.492 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)ccc1OC 435114696 VDRQIAPHNZHLFL-JSGCOSHPSA-N 424.479 0.367 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)n2)c(F)c1 442098613 AAYFMKGRAZYECO-UKRRQHHQSA-N 412.425 1.372 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 444736298 PBFLAXXMYNHEQG-NSHGMRRFSA-N 418.469 0.533 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 462147539 IDBAPIUYCHZZKN-MRXNPFEDSA-N 403.464 0.455 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)o[nH]1 462273085 FMDHRPUBBMGTLP-GFCCVEGCSA-N 422.442 0.837 30 20 HCED C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1C(=O)NC2(CCCC2)C1=O 465186603 GZVDDQZDZZCWSS-KGLIPLIRSA-N 411.466 0.638 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 465186605 GZVDDQZDZZCWSS-ZIAGYGMSSA-N 411.466 0.638 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)CNc2ccc(C#N)cn2)C1 473279108 SQSWKGJYXCXDIS-OAHLLOKOSA-N 411.466 0.871 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3Cl)c(=O)n2C)CC1 480183517 HDMMAGOZKRDJDF-UHFFFAOYSA-N 416.934 0.767 30 20 HCED N#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 483514717 JYFJWZNNUUTQAC-UHFFFAOYSA-N 421.342 0.847 30 20 HCED N#CCCN(CCC(=O)N1CCN(c2ncccn2)CC1)CCN1CCOCC1 484902843 ZWOAOESXHNWFII-UHFFFAOYSA-N 401.515 0.063 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486633839 WAWZNWCMNINWRF-SJORKVTESA-N 420.491 0.521 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1=O 486862576 GKDHNOVFRKGFCL-WDEREUQCSA-N 400.423 0.237 30 20 HCED CSc1nc(O)c(C(=O)N2C[C@H](N(C)CC(=O)OC(C)(C)C)[C@H](O)C2)cc1C#N 487677632 OBYYTEWWYGQKKL-UONOGXRCSA-N 422.507 0.840 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1 488592399 GVXMFLGKDVSIGP-INIZCTEOSA-N 422.507 0.704 30 20 HCED CC(C)N(CCCNC(=O)CN1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 497486032 LVQFYIBBHUFAMW-UHFFFAOYSA-N 422.555 0.252 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)CC[C@H]4C3)CC2)cc1 498758342 LKERATOLKDMFBK-KRWDZBQOSA-N 416.503 0.792 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 501884022 VQJJMFXEHXSELK-UHFFFAOYSA-N 423.477 0.757 30 20 HCED CN(C)C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 502555138 ORUUYEZHQNUBBY-KRWDZBQOSA-N 419.551 0.275 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncnc2[nH]cnc12 505682442 QXCPBUIZUVYERI-HNNXBMFYSA-N 404.434 0.973 30 20 HCED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 507489321 XAAAOJRFPDQRAB-LLVKDONJSA-N 411.509 0.559 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 508461198 JQVDVKWGGFBTPO-KRWDZBQOSA-N 411.510 0.951 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)C[C@@]12C(=O)Nc1ccccc12 514003180 INXRMEKULTZTMS-WJONJSRFSA-N 424.505 0.629 30 20 HCED C=CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 533066014 VHNGKHYOVOTPGA-CQSZACIVSA-N 409.464 0.781 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@H]2C(N)=O)CC1 540589911 BUKNDKKUUXJKBE-IRXDYDNUSA-N 405.499 0.437 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553877679 ZIGTWKKSWAAQIL-UHFFFAOYSA-N 423.314 0.091 30 20 HCED CN1C[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CCC1=O 554392518 PXEIWPLSMAKKGS-CQSZACIVSA-N 403.870 0.597 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 554399776 ZTKDDEQQMWHAQN-SJLPKXTDSA-N 411.506 0.970 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CN1C1CC1 558057730 UGVWCKFCHRXLGM-IDHHARJASA-N 409.490 0.911 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 560984944 VJXZRQGQCFEBJI-MRXNPFEDSA-N 402.499 0.493 30 20 HCED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 563342621 OKSJVGMRVYFQLE-UHFFFAOYSA-N 404.492 0.720 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCN(C)CCN(C)C 568797773 GSKKIZAOUFWJJF-MRXNPFEDSA-N 409.556 0.567 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CC(N)=O 570180390 GCKTUQSPSSAQTG-NSHDSACASA-N 417.462 0.661 30 20 HCED CNC(=O)CCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 580605213 MOXIKTRCYNBAOC-UHFFFAOYSA-N 416.459 0.990 30 20 HCED C=CCNC(=O)Cc1noc(-c2cc(S(N)(=O)=O)ccc2N2CCOCC2)n1 582750971 AJEDYBYPSNYLIY-UHFFFAOYSA-N 407.452 0.065 30 20 HCED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606093504 STSAUBIJAALWBC-SFHVURJKSA-N 412.471 0.570 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 613104219 BWYBNWGFCAFPPD-JKSUJKDBSA-N 410.434 0.792 30 20 HCED Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@@](F)(C#N)C1 619736092 QKLNKIJHUUFBQS-GOSISDBHSA-N 420.470 0.945 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)C1=O 623192413 NFYGYQZKBXINKU-AWEZNQCLSA-N 404.467 0.460 30 20 HCED CCCC(=O)N1CCC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCN1C(=O)CCC 680339143 CEXHIFVKLPQEGV-HDICACEKSA-N 418.538 0.804 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)CC(C)C)sc(=Cc3cnn(C)c3)c2=O)cn1 726180438 KFNLMDGEXKGSTM-UHFFFAOYSA-N 410.503 0.967 30 20 HCED C=CCN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 731482666 JVBAAHRLKHKSQW-CQSZACIVSA-N 412.512 0.338 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cn1 732797120 MFYBSXZYKCVAHP-UHFFFAOYSA-N 415.519 0.681 30 20 HCED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732911054 XOZBPQSZNASUID-OLZOCXBDSA-N 407.423 0.144 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1 735810606 MDLXNEYUHGMWSM-UHFFFAOYSA-N 419.484 0.448 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c3c(c2)C[C@@H](C)O3)CC1 736335374 FLIFVPZVOWUKBO-CYBMUJFWSA-N 411.911 0.719 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OC 739959215 QECDRLDVOFKDQE-NXVVXOECSA-N 409.420 0.287 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)Nc2cnn(CC#N)c2)C1=O 746432426 MULFXVCZXWLDTB-LBPRGKRZSA-N 416.419 0.115 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)CSCC#N)C2)CC1 748719231 VGYCRJFMAFFDNQ-UHFFFAOYSA-N 418.541 0.336 30 20 HCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1=O 750821979 UZUMYONSIZXBGA-NRFANRHFSA-N 409.446 0.406 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(CC)s2)c1=O 752184943 JFCJGFDZWUZISQ-UHFFFAOYSA-N 418.544 0.701 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2c(F)cccc2F)C1=O 756024681 XBOLENSUORHDKI-SXXBIRCQSA-N 419.388 0.896 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cccc3c2OCCO3)c1=O 758075641 JWBNTCCRBZXGRC-UHFFFAOYSA-N 407.451 0.119 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 761707472 KJBZNXNQJIVZCT-UHFFFAOYSA-N 417.443 0.905 30 20 HCED CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 762963617 XUJZGIZGANTQSP-PEZBUJJGSA-N 410.452 0.613 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)[C@H](C#N)C1 765692449 RUZNODMNUINCCC-GDBMZVCRSA-N 402.451 0.926 30 20 HCED COCCC(Cc1cccc(F)c1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771896669 GEHOWJGWZHBGCT-UHFFFAOYSA-N 412.443 0.137 30 20 HCED C=C(C)CNC(=S)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 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HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 783474758 IHYQXIDICYSRKJ-GFCCVEGCSA-N 412.851 0.714 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(Cl)c1-n1cncn1)[C@@H]1CCS(=O)(=O)C1 783480330 JIZHMCQICFNXBN-GFCCVEGCSA-N 421.866 0.508 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@]2(C)CO)cc1 784929844 TXGNTNLOOLWGNR-SRMPHAGFSA-N 422.507 0.811 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1 786548110 HKIRSJSWJJWVPX-HNNXBMFYSA-N 402.451 0.961 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC)cc1 820268858 XILGLSUQHBTWCX-QGZVFWFLSA-N 401.444 0.507 30 20 HCED COC[C@H](C)NC(=S)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 874064026 KAODPXHVCRJKAD-ZDUSSCGKSA-N 404.496 0.364 30 20 HCED COc1ccc(NCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 916573254 JROZZNREEWNQFJ-IBGZPJMESA-N 422.507 0.936 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 916888896 CRBYCZPISUFMQE-LLVKDONJSA-N 404.408 0.960 30 20 HCED 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C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824526454 JKTPQQSGOKZTFC-HOCLYGCPSA-N 412.508 0.375 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)C1 1829669432 YFUWLATXJCMSNL-OAQYLSRUSA-N 411.462 0.766 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCC4)CCO3)C2)c1 1829875699 XFOHSIXKILNYDL-QFIPXVFZSA-N 412.490 0.724 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829876642 FYILUKOIUYEPRB-SFHVURJKSA-N 401.454 0.750 30 20 HCED Cc1nccn1CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830064075 FARJAHKWKWXGNX-OAQYLSRUSA-N 417.510 0.978 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c1 1830871769 AQOXUEQIGVHSQV-SIKLNZKXSA-N 415.490 0.954 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3)C2)C1 1831391167 JERGDTUDBMPFDL-PGRDOPGGSA-N 416.474 0.560 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccs3)C2)C1 1831393427 LRHKOGOMAJQGDQ-OXQOHEQNSA-N 406.504 0.785 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1831420346 XLTWHZOSSOQTMK-DBXWQHBBSA-N 420.510 0.567 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831421421 JSKCBMTWBAUTLV-QRWLVFNGSA-N 420.466 0.146 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1831433637 KYQXBYLGGAPLKQ-JTSKRJEESA-N 418.490 0.982 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1831437831 GVWNFZKSAYEHGB-XMSQKQJNSA-N 423.554 0.766 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1831499477 UOIAQICHNRJLTB-PEPAHJGKSA-N 420.535 0.901 30 20 HCED CC(C)(C)OC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1831998002 BFYKTRDEOBOICX-NRFANRHFSA-N 421.494 0.868 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834653279 VZFNVDBJFJFNQG-AWEZNQCLSA-N 411.572 0.776 30 20 HCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1835777917 CTRMSEYXDNDDSR-CIAFOILYSA-N 413.482 0.702 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835969735 TZYZQGMQYCFTSY-LJQANCHMSA-N 406.870 0.406 30 20 HCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1ccnc1 1836781110 WDOUSFKSSMMMSN-HNNXBMFYSA-N 402.451 0.531 30 20 HCED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)CN3C(=O)C=CC3=O)CC2)CC1 1836826465 YQRXJKVQVNGKQQ-UHFFFAOYSA-N 413.474 0.323 30 20 HCED Cc1nc2sccn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837144365 PVODLZSASNMYTJ-SFHVURJKSA-N 403.464 0.688 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837305888 LORCQUJVCZXHDO-YLJYHZDGSA-N 403.483 0.503 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=Cc3ccccc3NC(=O)C1)CCO2 1838445756 WHOBARPRZBBTOC-QFIPXVFZSA-N 424.457 0.782 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccoc13)CCO2 1839587441 JSWMUXPWCOASMP-OAQYLSRUSA-N 412.398 0.591 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1839807536 GIQKVFDSSBKXRG-QRWLVFNGSA-N 409.483 0.379 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1839811886 USYLKHWAHNUVAK-QYWGDWMGSA-N 421.494 0.379 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1840044226 RDVXEUDAJUQSFT-SVMVAKDDSA-N 412.442 0.335 30 20 HCED COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157756 ZOMAXQPFSYLKQG-QRWLVFNGSA-N 424.519 0.849 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1840160375 GECXIZXGARBOMZ-VBKZILBWSA-N 418.519 0.962 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595012 DYWQECANTUPTIU-NRFANRHFSA-N 424.494 0.257 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820955 SHKSBIIMBSMUMI-IIBYNOLFSA-N 417.462 0.428 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)O)C1 1841225032 RLALUGLECZTAFH-FMKPAKJESA-N 405.520 0.688 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842218220 FNKUVCZTXPVFQH-UHFFFAOYSA-N 421.413 0.942 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1ccco1)C2 1842919425 BTJHIQKHYBIFDA-UHFFFAOYSA-N 401.467 0.495 30 20 HCED O=C(C#CC1CC1)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844738773 GVESIJBTHFVXNP-UHFFFAOYSA-N 407.430 0.909 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195674 QNRFDNPWIJIIRB-AWEZNQCLSA-N 405.451 0.535 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCC(=O)NC2)c(C#N)c1 1847321393 POZLTBIAUIRZIP-MNEFBYGVSA-N 410.474 0.837 30 20 HCED CN([C@@H](CO)c1cccc(Br)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 409484229 GMWFALDFBMXLGO-KGLIPLIRSA-N 404.286 0.883 30 20 HCED CCCCN(C(=O)CN1CCO[C@@H](C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 436130413 IVGYYRMHTBSDPB-AWEZNQCLSA-N 406.487 0.545 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(COC)c2)c1=O 440402624 YGAMRNCAJSZCTC-UHFFFAOYSA-N 415.515 0.732 30 20 HCED N#Cc1nc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1C(F)(F)F 443513350 YVEHWOBCOVAQFS-UHFFFAOYSA-N 419.429 1.425 30 20 HCED COCCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 445199349 XYBIAOVZSRVBOL-ZDUSSCGKSA-N 401.398 1.085 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 446523714 OWLMPLOZMACWQY-HZPDHXFCSA-N 405.476 1.000 30 20 HCED CC(=O)N1CCc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 446529250 ITEDPQPOOAHFKD-UHFFFAOYSA-N 413.478 0.609 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nnnn1CCOCC(F)(F)F 447294686 HGMHCYXJFWLGGW-LBPRGKRZSA-N 411.392 0.624 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](C)CN1CCN(C)CC1 464907253 FQFORKOIJGWPFU-SJORKVTESA-N 400.531 0.452 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c3c(nn2C(C)C)CCC3)CC1 473372982 NVKDEOKZUFXJIU-UHFFFAOYSA-N 402.499 0.338 30 20 HCED C[C@H](O)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 476870769 PCESEAODKIYESV-RLFYNMQTSA-N 413.478 0.677 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 478792238 DBIDPNKFRGTIND-UHFFFAOYSA-N 410.430 0.721 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)cn1C 482343251 KTQCDTZYHZWOAQ-CQSZACIVSA-N 417.491 0.901 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)C1CC1 484366701 GBWWFKLMHGFBCB-CYBMUJFWSA-N 405.480 0.955 30 20 HCED Cc1oc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1S(N)(=O)=O 485997163 AEZBLIFEGYNLOX-AWEZNQCLSA-N 402.432 0.638 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 497496932 WSWAHMFSHQJXMN-CQSZACIVSA-N 404.496 0.630 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 498534141 MOTPLFOYOKQNFR-GOSISDBHSA-N 406.508 0.891 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CCN1Cc1ccccc1 502239766 ZRQARIJFKVUHBR-GUDVDZBRSA-N 409.490 0.493 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 505354863 AAQAGBGRTUBSCT-KBPBESRZSA-N 410.471 0.809 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(-c2cccc(Br)c2)n1 508992233 CMYZFUQLIGRSER-UHFFFAOYSA-N 419.239 0.638 30 20 HCED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)NCC(=O)NCC#N 511015026 KYFHPIGOTVSJSP-UHFFFAOYSA-N 414.509 0.088 30 20 HCED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 514734251 DYDDUKYSKMAHKV-CHWSQXEVSA-N 410.224 0.784 30 20 HCED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2NC1=O 517336497 AKWNRLZBIXNAKH-CYBMUJFWSA-N 420.429 0.960 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)n1 519192440 JMTPHQBFDSCYRN-KRWDZBQOSA-N 420.477 0.177 30 20 HCED CCc1nc(CN2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)no1 521063576 DYHJYONKBYQNFS-UHFFFAOYSA-N 417.491 0.763 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)c1C#N 534057097 XXYUQGWPYSVLPV-UHFFFAOYSA-N 418.479 0.553 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 539223516 GGZXBASAWBZZFI-IJEWVQPXSA-N 401.471 0.204 30 20 HCED COc1cc(C#N)ccc1OCCN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 539630387 RSSCPRPGSSLGGZ-UHFFFAOYSA-N 416.434 0.459 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 540453316 DGTIBIRBLDGJAJ-UHFFFAOYSA-N 419.445 0.892 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)CC1(C#N)CCCCC1 545349908 YZJXJIIKCDZGSI-UHFFFAOYSA-N 400.545 0.513 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(C)c(OC)c2)CC1 550473538 OCTWBHJQZBTJMA-UHFFFAOYSA-N 404.467 0.397 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CC)c2nnc3n2CCCCC3)C1=O 552981710 BLEIEBROOGAHBZ-HUUCEWRRSA-N 402.499 0.817 30 20 HCED CN1CCC(C#N)(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 563937731 QVXAQDCVFPPBFC-INIZCTEOSA-N 406.508 0.862 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 564320020 SUGKBLTVVQLYSQ-INIZCTEOSA-N 424.523 0.005 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CCOC)c2ccc(C)o2)CC1 570007905 ALNSDTQFXHWCBF-INIZCTEOSA-N 406.483 0.228 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)CC2)nc1 576381498 XXCVYJXDIVVYRN-INIZCTEOSA-N 423.452 0.531 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 577773862 FQDWJZXBFDHWRK-NIKGAXFTSA-N 410.474 0.801 30 20 HCED COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 586848167 BCYMTHPKJXEGPX-UHFFFAOYSA-N 408.462 0.939 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 604208009 QPIUIOZSRXSJFN-UHFFFAOYSA-N 423.495 0.258 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CCCCC#N)CC1 609740234 FUKIALBLCVQVJQ-UHFFFAOYSA-N 414.553 0.736 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 672355969 PVOOPFXKEZVPFA-UHFFFAOYSA-N 420.535 0.609 30 20 HCED COCC[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 726301353 UCRRNLUARLHXJI-JPDJOPTESA-N 410.496 0.979 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCNC(=O)C3)nnc12 726782711 IVFKGUPRIPUGGU-UHFFFAOYSA-N 412.475 0.671 30 20 HCED O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCN/C(O)=C1\N=CC=CC1=O 732154484 RCYVFLLYAIKLDU-FBMGVBCBSA-N 401.379 0.357 30 20 HCED N#C[C@@H](C(=O)COc1ccc2ccc(=O)oc2c1)C(=O)N1CCS(=O)(=O)CC1 732908323 JADKYBZEZACJIY-AWEZNQCLSA-N 404.400 0.138 30 20 HCED CNC(=O)C1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742593457 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30 20 HCED C[C@H]1CN(C)C(=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 782592696 MZWLBEMKGYDINE-AWEZNQCLSA-N 412.450 0.617 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CN(c2ccc(F)cc2)C1=O 782870131 NYSRSAUAHPMYNR-CQSZACIVSA-N 402.407 0.396 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1-c1noc(C)n1)[C@@H]1CCS(=O)(=O)C1 783479618 FIJBSLMQJTWSSN-CYBMUJFWSA-N 402.432 0.632 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(-c2nccn2C)c1)[C@H]1CCS(=O)(=O)C1 783479983 NXWSPMAWBOIBHM-INIZCTEOSA-N 400.460 0.675 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 787754571 FVEXEMJGTNHVCS-OALUTQOASA-N 423.473 0.832 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)n1 789332957 YJYVIMZAPIAWNA-UHFFFAOYSA-N 401.492 0.575 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3ncn(-c4ccccc4)c3=O)CC2)cc1 795403456 YSNXBDOXTPRXCM-UHFFFAOYSA-N 424.486 0.870 30 20 HCED C=CCN1CC[C@@H](OC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1=O 798622962 ICJUDXCMBULQPH-GOSISDBHSA-N 421.519 0.631 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1 802629117 ZTUMBROWDFXQGX-UHFFFAOYSA-N 411.430 0.911 30 20 HCED COC[C@]1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCCN1C(=O)OC(C)(C)C 804837942 LMWHPDGANWIIPA-LJQANCHMSA-N 407.471 0.784 30 20 HCED Cc1cc(C)c(N2CC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)c(C)c1 808213181 NVVCHIHJTIMPMA-SFHVURJKSA-N 411.506 0.938 30 20 HCED C#CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 812782403 YKVFGRXADBESEE-UHFFFAOYSA-N 413.883 0.634 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)n1 814650235 MJIZSUZFJHGCKR-UHFFFAOYSA-N 403.468 0.548 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1nnn(Cc2ccccc2F)c1C 815557081 LXEZUMVARIMEJJ-UHFFFAOYSA-N 409.443 0.429 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnn(C)c1I 815880191 AQHBIQGGAJXMTN-UHFFFAOYSA-N 413.223 0.906 30 20 HCED CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(O)C1=O 820475880 BVAJPLVDLCUBQX-KGLIPLIRSA-N 410.452 0.943 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2OC)c1=O 916199871 LJRNGFRBQZANDY-UHFFFAOYSA-N 413.499 0.690 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)c1 918271004 IISUFKUNLWYNQS-HMAPJEAMSA-N 423.495 0.066 30 20 HCED COCCN(C[C@@H](O)C(F)(F)F)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1164040221 SREJZLZFRNLJSF-CYBMUJFWSA-N 423.413 0.513 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(=O)n2ccccc2n1 1164402866 DQWUHNRKHGFZQB-UHFFFAOYSA-N 411.443 0.440 30 20 HCED CN(C)C(=O)[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1263974239 RVQPUAJDLGKWKG-AWEZNQCLSA-N 406.508 0.832 30 20 HCED CN(C)Cc1nc(C(C)(C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)no1 1321368658 KCPUEEZXRYPGKN-UHFFFAOYSA-N 405.480 0.969 30 20 HCED CS(=O)(=O)c1ccc(OCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1322022316 IKZHACHCAMFHJN-ISLYRVAYSA-N 407.448 0.502 30 20 HCED COCc1noc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)n1 1463549207 WVSMOAOAUMSMFV-UHFFFAOYSA-N 409.443 0.874 30 20 HCED CN(C[C@@H](O)c1ccccc1Br)C(=O)Cn1cc(C#N)c(O)nc1=O 1469036274 WDZAACRXESREBE-CYBMUJFWSA-N 407.224 0.775 30 20 HCED N#Cc1ccccc1OC[C@H](O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1 1473680834 AZKOKGGCWRFQDK-QGZVFWFLSA-N 416.503 0.768 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1501401294 NMLJURUZEWDJDT-MRXNPFEDSA-N 411.466 0.246 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)C1 1521064066 XUQMNWNGRQULEX-WMLDXEAASA-N 407.475 0.909 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ncn(C)n1 1541917968 LURQMGNJXADUBL-LBPRGKRZSA-N 407.504 0.195 30 20 HCED CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1548037095 WNRHWDNVNITONC-YFTKNLTDSA-N 414.532 0.414 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)N(C)C)CC2)c(C#N)cn1CC 1625718047 JUBVEOHVCUCRGU-UHFFFAOYSA-N 404.471 0.794 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1712884355 KLACKSFCMLOBLD-IRXDYDNUSA-N 416.507 0.960 30 20 HCED C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741801101 XCFQQJKTXUBOFD-KGLIPLIRSA-N 404.500 0.755 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1777900528 ZYNYXQAAESBVQL-IERDGZPVSA-N 411.462 0.520 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1779105394 UOBQVUZJWHNGJP-UHFVFUGDSA-N 416.478 0.983 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522088 CNESSXSQWYYXNO-KSSFIOAISA-N 408.480 0.573 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780384634 QSRXFZPRJRWWMA-VGOFRKELSA-N 423.473 0.749 30 20 HCED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781974027 CBUODJKJAKKLIB-BFUOFWGJSA-N 404.854 0.790 30 20 HCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1782358220 CKPGUWZLMYKDEN-CSODHUTKSA-N 407.511 0.757 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1782607707 RAJJDHAVBLWSKC-VHFSOBRXSA-N 402.520 0.901 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1782646117 KHXPUVFLPPMPQV-FQEVSTJZSA-N 415.519 0.486 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CCO2)C1 1783110242 PYEUXOVPPNCIRZ-DJJJIMSYSA-N 422.507 0.494 30 20 HCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2C(=O)C=CC2=O)C3)CCC1 1783127297 OGKUGUKKZLSXGZ-QVKFZJNVSA-N 414.462 0.119 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)n4[nH]cnc4n3)CCO2)C1 1783195693 VEFXJMHMCAIMQH-QGZVFWFLSA-N 422.392 0.073 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CSc1ccc(F)cc1F)CCO2 1783558649 UUCDVBAPHDMSFU-LJQANCHMSA-N 424.425 0.975 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(C(F)(F)F)c1)CCO2 1783561484 TZKNFUDIXKXITD-QGZVFWFLSA-N 411.336 0.632 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783930027 TWFPSEZAGBQYAX-JQHSSLGASA-N 402.513 0.387 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373830 KCPZYZBMVFIRAO-WIYYLYMNSA-N 415.494 0.090 30 20 HCED COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784382434 ZWDYFSCWYOEZLH-BCYZHJNNSA-N 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QWIRTKKXUHQYHW-HXUWFJFHSA-N 401.467 0.521 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H]4CCCCO4)C3)C2)c1 1838732259 KBGMHEXOFCNDNW-UWJYYQICSA-N 416.478 0.916 30 20 HCED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2)C(=O)O 1838952338 PPJYBHZIJLKXJK-SDQNTSPESA-N 413.430 0.659 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839063786 XCWBVNHGMFGFFN-FXAWDEMLSA-N 411.568 0.704 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1839069281 UYSZMUDFIVHCLO-UWJYYQICSA-N 404.511 0.478 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cncn4)C3)C2)cc1 1839362002 SHYULQCSVGXRLQ-NRFANRHFSA-N 424.461 0.114 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840164450 KATDJHHYCIFXTE-VPWXQRGCSA-N 408.520 0.365 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1840168290 FVFBPLPFTHDDNG-NRFANRHFSA-N 401.463 0.964 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840176544 MLGBUUQSHHFOHQ-JOCHJYFZSA-N 415.490 0.839 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840536771 YQTRUFGDBPLRJE-PGRDOPGGSA-N 420.506 0.178 30 20 HCED Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1840693133 WWMRENDGXBYRDT-FQEVSTJZSA-N 420.849 0.806 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841478308 DMJDPPCXLOHMCK-LSDHHAIUSA-N 419.478 0.971 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)c1 1841962325 JZWOXNPHSKVBCE-CZUORRHYSA-N 409.446 0.729 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc3nc(CO)[nH]c3c2)C1 1843669409 SBUCNJQPOYKIDF-SREVYHEPSA-N 423.473 0.731 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845264466 NGWKSXLHQOOSBW-HNNXBMFYSA-N 418.498 0.951 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(OCC(F)(F)F)n1 1848335785 UTWXGQGFJNZQSP-STQMWFEESA-N 411.336 0.926 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1 11360577 VBLKAYIFPWZSNU-UHFFFAOYSA-N 421.500 0.900 30 20 HCED C=CCNC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1Cc1ccco1 12216724 BWMDNABKMOASAZ-UHFFFAOYSA-N 406.468 0.860 30 20 HCED COCCN(C(=O)CNc1cccc(C#N)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15294440 BXTYKRFUOGGMNR-UHFFFAOYSA-N 414.466 0.738 30 20 HCED COc1cc(OC)cc(N2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409473598 ADCPYMTYZMRAJC-SFHVURJKSA-N 410.496 0.685 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 409547385 IQXATWPKJBCPCL-AWEZNQCLSA-N 400.526 0.766 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O 410113711 VINDPVUJPXAWBB-CQSZACIVSA-N 405.451 0.688 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1 410130043 IVUWVDWLCAFVRV-ZDUSSCGKSA-N 404.514 0.037 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 428270229 UCVFPAZNIUEJRV-UHFFFAOYSA-N 417.466 0.829 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c(F)c1 433520043 OAKUBBIPPSTDTH-UHFFFAOYSA-N 417.422 0.564 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 435306392 LNNRVZMLHLDMKD-NEPJUHHUSA-N 405.455 0.626 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)c1 438300641 DRRRYVZASMTROP-UHFFFAOYSA-N 410.482 0.836 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1=O 440270622 WTHHHRNYSDMWAT-OAHLLOKOSA-N 408.480 0.087 30 20 HCED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 443794223 YXSIYQKTPFJIMU-LSDHHAIUSA-N 409.508 0.549 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460602863 DKIHDYRWXQCLGT-UHFFFAOYSA-N 424.465 0.683 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 460613168 JJNCWNBLNWRKQM-KRWDZBQOSA-N 407.478 1.473 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 460936616 ZJRFSSRSGOKBNF-OLZOCXBDSA-N 405.546 0.478 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462096856 GWGBVHFIKOYHOE-UKRRQHHQSA-N 403.468 0.978 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H](C)CC#N)CC2)cc1 468857270 GILRXNRLXULUDX-OAHLLOKOSA-N 406.508 0.956 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(C#N)ccc1Cl 476529907 GLUBKCPEPMKOJQ-CYBMUJFWSA-N 415.855 0.280 30 20 HCED COCCC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 476617527 MKWYOLBNFZDYME-UHFFFAOYSA-N 408.480 0.118 30 20 HCED CC(=O)N[C@H](C)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 481621103 JUERFQOQSGITDS-CQSZACIVSA-N 402.499 0.740 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 482840930 QQAIXLQKAAVWKA-RDJZCZTQSA-N 406.508 0.406 30 20 HCED CS(=O)(=O)c1cccnc1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 487717805 RZHZZOBQUZUFAB-UHFFFAOYSA-N 422.488 0.607 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)ccc1[N+](=O)[O-] 488977161 GIFMRKNECBWPLS-GFCCVEGCSA-N 415.427 0.472 30 20 HCED CCn1nc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)c2ccccc21 489023252 ITNBLUGBUNIWRP-CYBMUJFWSA-N 408.483 0.925 30 20 HCED COCCN1C[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)CC1=O 498720769 SGZBPRGLCWTZOP-MJGOQNOKSA-N 400.479 0.899 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C1=O 499150287 VXZYBTNMBABMIR-KRWDZBQOSA-N 414.462 0.925 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@H](C)C1 502009044 OGYSHEZYMHWRGB-SQNIBIBYSA-N 405.568 0.844 30 20 HCED CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 503582081 VHTBYAKWXHLXQA-UHFFFAOYSA-N 410.496 0.382 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)C1=O 504641410 FOHAXTOAGMPNTI-UHFFFAOYSA-N 420.447 0.385 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1 505678270 PKLFIZJLVUVXFW-UHFFFAOYSA-N 423.429 0.168 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCC#N)CC2)c1 507948850 DMYCAHPQQLTUGW-UHFFFAOYSA-N 406.508 0.946 30 20 HCED C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(N)=O)C1 508912828 MFGOVUWFRWXLSS-AWEZNQCLSA-N 404.858 0.738 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CC(=O)N(C)C)CC1 510878868 PSBCZODDXDYAPJ-AWEZNQCLSA-N 406.508 0.942 30 20 HCED Cc1nnc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 512518792 CTWSKSZAQHJQOL-UHFFFAOYSA-N 401.448 0.817 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)cc2C(=O)OC)CC1 513256081 RAXUKOVGBSGMMU-UHFFFAOYSA-N 422.869 0.512 30 20 HCED COc1ccc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] 513780574 ZQXXLMKCJAVBMB-UHFFFAOYSA-N 424.417 0.949 30 20 HCED N#Cc1cccc(CNC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c1 514800479 BXZPEOSDYLVVKA-UHFFFAOYSA-N 400.460 0.821 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1Cl 521383992 ZUFDOATUDINCON-ZDUSSCGKSA-N 403.913 0.705 30 20 HCED C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 522792071 GJODMEHIPDIZPC-HNNXBMFYSA-N 422.507 0.483 30 20 HCED CN(CC(=O)NCCc1cccc(C(N)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 523271623 FQPSMTAQRCRCKI-UHFFFAOYSA-N 400.460 0.637 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1 535280213 GKFLQZDLGNAQNL-ZDUSSCGKSA-N 410.414 0.899 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)CCO1 535351263 WITIULIJDUCODW-KRWDZBQOSA-N 405.418 0.807 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 539690930 UWAINIICDAOKDX-UHFFFAOYSA-N 410.496 0.429 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)cc1C(F)(F)F 548224872 GOIFSSUVHYXCJS-SNVBAGLBSA-N 405.354 0.788 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 550154550 JUQYUIFDLVDSKE-MRXNPFEDSA-N 409.490 0.602 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H](CO)Cc2ccc(O)cc2)n1 555039213 KMXLESAVQMMVQJ-AWEZNQCLSA-N 406.402 0.503 30 20 HCED CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 558535766 FOCPMMDRHJHLRS-UHFFFAOYSA-N 424.461 1.120 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 559440254 JADOKULRSISWOT-GOSISDBHSA-N 414.510 0.075 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 560914341 UYNVPYCJIBGKLR-KZNAEPCWSA-N 407.492 0.567 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 574213485 UZRIMRDJCZQHFD-ZMSDIMECSA-N 415.469 0.813 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)cc1 574730544 XBGRVBGDZLVHOK-ZWKOTPCHSA-N 406.508 0.596 30 20 HCED Cc1nsc(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)CC2)c1C#N 580138851 RCKVQQDOWTXXSC-UHFFFAOYSA-N 408.509 0.864 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 604373669 YDALJWXNQJMPRI-GOSISDBHSA-N 422.551 0.287 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)C1=O 612861303 CYJBEHBOVMKMNL-CQSZACIVSA-N 411.480 0.312 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)c2ccccc2OCC(=O)NC)C1=O 623224102 ITGHUXSNYDMBEN-CQSZACIVSA-N 416.434 0.356 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)C1=O 623228889 YJDYPDCYEVDGOG-OAHLLOKOSA-N 414.418 0.397 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c1=O 675754264 DNPZEWSNRHCJGQ-UHFFFAOYSA-N 419.528 0.796 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N=c3nc(C)[nH]n3C)nnc12 680526221 YTMJCENBAHJRCQ-UHFFFAOYSA-N 410.463 0.820 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 732285708 FUABQHWLLZSPNA-GOSISDBHSA-N 415.513 0.230 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nncn1C 732761422 GQBCLAIDQCNUHL-CQSZACIVSA-N 404.496 0.627 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 733364214 ACUVKJBHXOTYIX-JOCHJYFZSA-N 412.534 0.468 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 742290615 QBCDSZSFNNQGHY-UHFFFAOYSA-N 418.288 0.644 30 20 HCED COC[C@@](C)(CC(=O)OC)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 749426615 GXQAFBRIZDTGBM-GOSISDBHSA-N 411.480 0.590 30 20 HCED N#Cc1cccnc1NCCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 749585269 MEQBWNNHFYDBPP-UHFFFAOYSA-N 418.435 0.758 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)c2cccc(S(N)(=O)=O)c2C#N)CC1 754994216 XFAXBPINOGDTST-UHFFFAOYSA-N 408.480 0.444 30 20 HCED N#Cc1ccc(F)cc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 759325719 AQSYJFGBZASQOK-MRXNPFEDSA-N 401.485 0.332 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c1 761706349 MCTUBFWTCDFIKT-GOSISDBHSA-N 421.519 0.161 30 20 HCED CC(=NN1CC(=O)N(C)C1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 768381536 ZPGAEBZFFVTNFX-UHFFFAOYSA-N 402.454 0.030 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 769670228 SMWJSLJFSWWBBR-UHFFFAOYSA-N 404.335 0.417 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 770681205 ZPKRNNXSOVSTLQ-YJBOKZPZSA-N 405.480 0.296 30 20 HCED N#CCc1ccccc1CC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 777168363 ZHEUEFCLCCGZEA-UHFFFAOYSA-N 415.471 0.845 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 780048418 QHJXFDZIGIPSRH-CQSZACIVSA-N 412.450 0.817 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c1 780712856 DCNOXTNNKJGFIB-UHFFFAOYSA-N 421.500 0.835 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 784868985 QDCGYKTUKOYNIO-UHFFFAOYSA-N 417.487 0.903 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 787853287 XUARTZQSCVOTGU-NHCUHLMSSA-N 412.534 0.608 30 20 HCED CNC(=O)c1nn(CN2CCN(c3c(C#N)c(C)nn3C)CC2)c(=O)c2ccccc12 788044208 KRJMMXGURQVTBL-UHFFFAOYSA-N 420.477 0.449 30 20 HCED C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 805969140 WIRJKGARSIAETR-LPHOPBHVSA-N 400.479 0.907 30 20 HCED C#Cc1ccccc1CC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 811258175 FQDUEOUGGWDRMS-UHFFFAOYSA-N 418.457 0.779 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1COc2ccccc2[C@@H]1O 811577279 SUVXXZSZUYZIQS-XZOAIXRZSA-N 401.444 0.836 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250085 HIUJBURJJFRBQW-UHFFFAOYSA-N 421.473 0.982 30 20 HCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)N(C)CCC#N 914943214 PWSWDBJJDVRUSR-AWEZNQCLSA-N 408.480 0.786 30 20 HCED CC(=Nn1c(S)nnc(C)c1=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917534532 KOBKURPMWCUDDA-UHFFFAOYSA-N 424.552 0.738 30 20 HCED COC(=O)C1CCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 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0.785 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)ccn3)CCO2)C1 1836357616 HCIBCGDAUZAROW-VGOFRKELSA-N 415.490 0.752 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1837524164 AZYGHNPENQUXFD-RIUOMULBSA-N 413.446 0.330 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1837662956 KWHJHUCXQLJGQC-IERDGZPVSA-N 424.542 0.882 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccc3F)CCO2)C1 1838244624 JRSLUPIXGSYNIF-MGPUTAFESA-N 407.442 0.882 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sccc3OC)CCO2)C1 1838291603 MWFWTGZNGNLJCT-FOIQADDNSA-N 422.503 0.865 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CC2)CC1 1838523648 NURVOLNJTXCQSA-UHFFFAOYSA-N 411.462 0.576 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)CCOCCOCCOC)CC2)CC1 1838744350 GPSDEWGLCYKJKJ-UHFFFAOYSA-N 410.511 0.688 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186286 KPCZUBDTJZVSCF-QVKFZJNVSA-N 418.469 0.291 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839674662 FFDONSHUXRHVID-AVRDEDQJSA-N 405.539 0.834 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1839838495 ITKPITWUSUMBBV-KKSFZXQISA-N 409.527 0.817 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1 1840043809 VEQCYHYVOLBPHX-LJQANCHMSA-N 424.812 0.637 30 20 HCED Cc1nn(C)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1F 1840159300 YHTDWYAONHKPBS-PXAZEXFGSA-N 400.476 0.256 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840167483 SENZTVCHQUIKAQ-OAQYLSRUSA-N 401.463 0.108 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1840173560 FDQUUAOPFDVBSU-NRFANRHFSA-N 418.494 0.319 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840321501 HAVBAQDNVOMCNZ-MRXNPFEDSA-N 405.398 0.010 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840614552 PKUVZQJJDFDODR-DYESRHJHSA-N 410.511 0.993 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1841600093 FQZDEERRAGPZCP-HNNXBMFYSA-N 408.458 0.789 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842564072 LGEYVDMKBRHCSN-ZDUSSCGKSA-N 402.455 0.244 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CC(=O)NC)C3)N(C(=O)OC(C)(C)C)C1 1846448722 UNKLNXYOBRKYOL-HNNXBMFYSA-N 420.510 0.892 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164398 KTNOVTOMVDQWQE-IRXDYDNUSA-N 424.417 0.944 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)C1=O 8246813 XVAVNKZQWNOREZ-CYBMUJFWSA-N 407.448 0.624 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)c1 409454346 BBKZFFNIPYQKJG-CQSZACIVSA-N 401.448 0.167 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(=O)(=O)N(C)CCC#N)C1=O 442790375 INIGSAGBSXLEKH-ZIAGYGMSSA-N 402.517 0.633 30 20 HCED CCS(=O)(=O)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 444810655 GNAOZZXZQPRYNJ-UHFFFAOYSA-N 409.512 0.402 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 446911426 HLIPTLVQNNAPHT-UHFFFAOYSA-N 422.445 0.738 30 20 HCED Cc1cc(NC(=O)Cn2cc3c(c(C#N)c2=O)CCC3)n([C@@H]2CCS(=O)(=O)C2)n1 447424001 UAKXGZQAWNNLNN-CQSZACIVSA-N 415.475 0.712 30 20 HCED N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463801344 SHPXVHAUAYQHCH-UHFFFAOYSA-N 420.473 0.894 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCC2CCN(CC#N)CC2)cc1 464985247 KSJUWXGHDYEFDR-UHFFFAOYSA-N 406.508 0.514 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 467131392 XOZRCWZVMPZIIL-BBWFWOEESA-N 422.445 0.937 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CN(CC)CC)cc2)CC1 471046998 GOHDKQIJILIDTP-UHFFFAOYSA-N 415.538 0.913 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccnn1C 471069529 PKXNMKVGHJNKGW-UHFFFAOYSA-N 416.507 0.257 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 476298422 GJODKVFXERYUNI-AWEZNQCLSA-N 421.523 0.877 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 479820537 CECCFSVAQRUEMA-LBPRGKRZSA-N 422.488 0.189 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486490356 SLUODNPKHKLNSZ-DLBZAZTESA-N 419.507 0.240 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccccn2)c1=O 489023153 AMXCSIFZJPASQC-OAHLLOKOSA-N 413.499 0.840 30 20 HCED COC(=O)Cn1cc(CNC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nn1 514031990 ALLDLQTZKOEYAH-CWTRNNRKSA-N 409.406 0.006 30 20 HCED N#C[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 518499649 WPLZKPYIJGXEFG-GOEBONIOSA-N 408.436 0.889 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 545998969 DITJJGKGVTZCIM-UHFFFAOYSA-N 408.480 0.683 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 550892656 OYGPEYSYFKJKRB-UHFFFAOYSA-N 402.495 0.351 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)C1=O 553699181 NEMUWJXVAADPSG-LLVKDONJSA-N 418.372 0.413 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 555255979 CBMLIHMIQUVHKZ-INIZCTEOSA-N 402.499 0.918 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1 562165182 VDYXWWGDYHLHIW-QZTJIDSGSA-N 406.508 0.596 30 20 HCED CC[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1c(C)nn(C)c1C 568551532 VEMSNNWRDLHTRK-AWEZNQCLSA-N 400.487 0.872 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 568568106 GJVIRSNDJCKVSQ-AWEZNQCLSA-N 402.498 0.014 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCCOc1cccc(C(F)(F)F)c1 571485292 MXTRDKBNWGMANZ-UHFFFAOYSA-N 408.402 0.832 30 20 HCED CC[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C1CCOCC1 577496416 FYQRXSVBNKISID-KRWDZBQOSA-N 402.499 0.570 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)n1 577788065 RKHVEGLQJYJLNW-OCCSQVGLSA-N 408.340 0.992 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 590292617 BAWUAUVALQJQMA-SECBINFHSA-N 423.416 0.931 30 20 HCED N#Cc1ccc(CSCC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609836205 UIBAACTWEQBIQW-GOSISDBHSA-N 402.520 0.841 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)C1=O 726042952 PYHXEMNZDXGCNP-CYBMUJFWSA-N 401.375 0.146 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 728534448 LJVYTFSFPWOCAV-UHFFFAOYSA-N 414.550 0.603 30 20 HCED CN(CCOC(=O)c1cc2ccccc2n1CC#N)S(=O)(=O)N1CCOCC1 731290643 XGQBSIROETZOGZ-UHFFFAOYSA-N 406.464 0.830 30 20 HCED Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732154865 VGRADDVMVZCMLM-QFPXGYFVSA-N 413.413 0.547 30 20 HCED CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732898076 IHVJJKLJJMXLRT-HDOZFUISSA-N 410.496 0.715 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCO4)c2=O)cn1 743727594 CJOZIMCLDYMXDB-UHFFFAOYSA-N 421.438 0.497 30 20 HCED C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 748429608 ZIOJHRKPNUNTJF-VIFPVBQESA-N 423.476 0.523 30 20 HCED CC(Cn1nc(C)cc1C)=NOCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 749789126 MBJGCAGUNXAUOI-UHFFFAOYSA-N 406.531 0.951 30 20 HCED CNS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 751567892 SVKOSCHECXTUDI-CYVLTUHYSA-N 416.525 0.767 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCc2nc(-c3nc[nH]n3)no2)C1 757587774 LJWKMYKZPAVIHY-QWRGUYRKSA-N 402.415 0.663 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cccc(OC)c2OC)c1=O 758049691 JIUFFOYYIQMRAS-UHFFFAOYSA-N 411.483 0.589 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(COC)o2)c1=O 758069512 UIKDDUFSPZYOOY-UHFFFAOYSA-N 411.483 0.844 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2Cl)c1=O 758077519 QVJBBMNVFCZLKO-UHFFFAOYSA-N 413.886 0.558 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(O[C@@H](C)C(=O)OC)cc2)c1=O 758564764 ZPRXJPTVRDUDQI-ZDUSSCGKSA-N 413.455 0.523 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)C1=O 760034247 MAJGWUCZHYDATM-UHFFFAOYSA-N 411.340 0.124 30 20 HCED CNCCCc1[nH]nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1C#N 760309828 SXFCFJORSYXQKL-UHFFFAOYSA-N 401.452 0.111 30 20 HCED Cn1cccc1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761034564 RBBVCTIYRRRMGO-UHFFFAOYSA-N 413.409 0.990 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCN(CC(=O)OCC)C2)cc1 761232250 HLJQGVNSDWDGDK-INIZCTEOSA-N 408.476 0.782 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761419283 QQPLOLCOKFQYOQ-GFCCVEGCSA-N 420.403 0.538 30 20 HCED CC(=O)N(CCc1ccccc1)CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 762058691 ARIPBQTUSZQAEY-QGZVFWFLSA-N 405.476 0.043 30 20 HCED N#Cc1c(COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cn2ccccc12 762912182 BJCHFVGCJSEIBO-UHFFFAOYSA-N 401.404 0.260 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CCN(C)C(=O)C2)nc1C 763283967 NHMZPJNKLLKGQR-UHFFFAOYSA-N 407.525 0.897 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cncs2)c1=O 767880192 JRSHCZQJUNBYNR-UHFFFAOYSA-N 422.557 0.091 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC1(C#N)CCCCC1 769217179 VRFWBAPEWAVADH-UHFFFAOYSA-N 404.448 0.722 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2nnnn2CC2CC2)cn1 769751461 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407.467 0.573 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO3)C1 1831448241 AOPWVGQJCAMIRC-BEFAXECRSA-N 414.524 0.090 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831486049 SDMIIXBWIWFRTE-MJGOQNOKSA-N 413.540 0.020 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nc3)CCO2)C1 1831945361 BXUVRUFNCFAWGC-HRAATJIYSA-N 417.462 0.199 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832552792 FSQWLSUSUIZYAT-LAUBAEHRSA-N 421.494 0.881 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833205560 YKJNRUZWLVREOW-IFXJQAMLSA-N 422.869 0.238 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1833473919 QMFOQTDTINRIHD-MAUKXSAKSA-N 406.527 0.428 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1833477428 UPDSYXLPOCDORQ-QGZVFWFLSA-N 418.542 0.831 30 20 HCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)co1 1834208864 XGNMZGDSVRBFGS-YUSOBQLHSA-N 419.482 0.525 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccn(C)n3)CC2)CC1 1834215566 TYJBUVLMFWJGDM-INIZCTEOSA-N 401.511 0.644 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1835672918 NTMDYWJVOGCXGF-NRFANRHFSA-N 415.494 0.433 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835789290 GZWIJTRMBPFPIC-DYVFJYSZSA-N 414.553 0.750 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835849932 PAMFWEWQHWMOEZ-LJQANCHMSA-N 408.455 0.168 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838824954 CGMQPQQPEUAGOQ-IFXJQAMLSA-N 422.438 0.584 30 20 HCED CCOc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1838886110 FLMXEXVBPPFMFW-NRFANRHFSA-N 416.430 0.243 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905373 CHKSRURNPLTLQV-WIYYLYMNSA-N 401.463 0.645 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1838906682 ZATKSRYIIYFDOD-QFIPXVFZSA-N 421.457 0.661 30 20 HCED 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N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 430502758 JLIIFCVEAHPBDO-SJORKVTESA-N 424.505 0.509 30 20 HCED CNC(=O)CN1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443529532 MUYCJYQSVFUELO-UHFFFAOYSA-N 415.313 0.809 30 20 HCED N#CCCN(CCC#N)C(=O)CNc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 447101880 YPFMBWRXLXCUGI-UHFFFAOYSA-N 423.470 0.914 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1cccs1 465195211 QTDKBCDKVGUWHY-ZDUSSCGKSA-N 420.520 0.815 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 465464699 HGULFYSMMWMIGK-ZDUSSCGKSA-N 409.406 0.724 30 20 HCED N#C[C@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 471228448 XCAXZBAVXCERAP-SFHVURJKSA-N 418.519 0.233 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 471987943 FLDHUFMGAUFABH-UHFFFAOYSA-N 403.468 0.602 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)cc1 475440747 BWOGJMSEYIHFNA-KRWDZBQOSA-N 412.471 0.899 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccon1 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Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(C(=O)N(C)C)c3)CC2)c1C#N 472864174 WUHKFWABHTWORH-UHFFFAOYSA-N 423.477 0.589 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NS(=O)(=O)c1ccc(C#N)nc1 479132948 KOIUZPKTXWWHMX-UHFFFAOYSA-N 422.488 0.997 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 482203501 CKCQEIIMTCDOMX-NUEKZKHPSA-N 406.508 0.988 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NC)CC2)cc1 484462970 ZFCZWBCEVKJGEH-UHFFFAOYSA-N 422.507 0.416 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 487156463 KAOZFDCFLYUETE-KRWDZBQOSA-N 415.475 0.398 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)NCc1ncc(-c3cccc(C#N)c3)[nH]1)c(=O)n2C 494596501 SMBMVEHLFWGGEM-UHFFFAOYSA-N 418.417 0.012 30 20 HCED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 506446394 KOHGMNVZKKYFRS-LLVKDONJSA-N 405.411 0.467 30 20 HCED Cc1ccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1S(=O)(=O)NCC#N 521750599 DMDWKACTSNWYHD-UHFFFAOYSA-N 421.523 0.079 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCc1ccccn1 523182012 QTAIBPRPXSXUKN-UHFFFAOYSA-N 420.494 0.805 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 524970806 RJPKCHQGFHUYQS-QZTJIDSGSA-N 421.519 0.957 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 535333194 PSNOOCVPXQEVRG-MRXNPFEDSA-N 410.499 0.656 30 20 HCED C[C@@]1(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC(=O)N1 536093338 ZKNMZCUKQAPKCK-IBGZPJMESA-N 404.492 0.840 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 538102943 RUYJWGUHJNCYCW-DDHJSBNISA-N 424.461 0.372 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539367968 FLWLCJJJNPNZKW-CRAIPNDOSA-N 410.515 0.899 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542335043 LYLJAQNUICSACV-UHFFFAOYSA-N 424.479 0.016 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 547417595 SSQFGVMISOKUJZ-PYTWLRIVSA-N 408.414 0.429 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 553344197 OGIQSSBNJHZCGS-LXZKKBNFSA-N 409.508 0.869 30 20 HCED CC(C)NS(=O)(=O)CCNS(=O)(=O)c1cccc(Br)c1C#N 553817562 AZTXDUGGVMAOSW-UHFFFAOYSA-N 410.315 0.927 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@@H](C)C1=O 555044791 KYOOPAABKBRXFL-AWEZNQCLSA-N 409.450 0.793 30 20 HCED C=CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 557717714 GDAFRQHLODAZHQ-YJBOKZPZSA-N 418.523 0.857 30 20 HCED CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 559093581 WGOVPWBQAMEQMK-UHFFFAOYSA-N 420.481 0.808 30 20 HCED C[C@@H](OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nccn1C 561600210 FLEGCOZBWRSNFY-OAHLLOKOSA-N 417.491 0.902 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC2)c1C#N 572689735 JTYZAGVAJPZWNZ-UHFFFAOYSA-N 414.557 0.873 30 20 HCED CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 573757696 SOBNRVMXAMYCGX-QGZVFWFLSA-N 409.450 0.347 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 582875409 WHGTWHOMVTWVBN-HOCLYGCPSA-N 422.507 0.226 30 20 HCED C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)Cn1cccn1 584795640 SJQOVJPUUCGHMJ-CRAIPNDOSA-N 408.462 0.819 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cncc(C#N)c2)c1 584868810 RFMLWJQGXSZPOI-UHFFFAOYSA-N 410.477 0.356 30 20 HCED Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1=O 586859671 DUMOMTPURRLQDR-INIZCTEOSA-N 412.425 0.354 30 20 HCED CCOC(=O)C1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587640515 LLXMVNLMIDAKOM-UHFFFAOYSA-N 413.478 0.840 30 20 HCED CN1CC[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 588126133 BECRZAQNYXZZFZ-ROUUACIJSA-N 405.449 0.930 30 20 HCED Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589471093 JLOYASYATLGHCQ-MRXNPFEDSA-N 403.464 0.777 30 20 HCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 604174590 KVEGHBKYJZHQJZ-CRAIPNDOSA-N 407.492 0.723 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 604430168 DAYFUFACVYIGII-CQSZACIVSA-N 422.511 0.679 30 20 HCED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609086461 XCTSXIWOFYEGTJ-UHFFFAOYSA-N 409.393 0.378 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3-n3cnnn3)CC2)cc1 609115122 DEAVFXWWPNDBLI-UHFFFAOYSA-N 423.458 0.681 30 20 HCED Cc1ccc(S(=O)(=O)N2CC[C@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 616435206 KGNUHOUVMKYWON-INIZCTEOSA-N 417.484 0.642 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 618864048 QFTSCNJDEBGICB-UHFFFAOYSA-N 402.451 0.795 30 20 HCED C=CCN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)CC1 679794916 RZFYWDHJKFMJLT-APWZRJJASA-N 423.535 0.586 30 20 HCED COc1ccc(C)cc1N1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 731861127 LUAPIAQBNXYRTP-DIGCTUSJSA-N 412.446 0.999 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CCOC 732523532 UCINDYYHUYKQQV-ZDUSSCGKSA-N 417.509 0.376 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCCNS(=O)(=O)c1cnn(C)c1 744590090 QYPXCGTWXJVJAR-UHFFFAOYSA-N 407.452 0.464 30 20 HCED COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)c1ccc(C#N)cc1 745149957 UDQWQVOEINZNBI-OAHLLOKOSA-N 424.456 0.961 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1=O 749971671 IJLMMMSSISAPKM-HNNXBMFYSA-N 421.498 0.442 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(C(=O)OC)=NO3)cc1 753686823 FYTOQZAGKLPHCI-UHFFFAOYSA-N 419.459 0.522 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2=O)n(C)n1 761141998 KIHCHHHZJICSFB-AWEZNQCLSA-N 414.397 0.630 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C(=O)N1c1cnn(C)c1 761145129 UZZGUABRFPVFDD-XHDPSFHLSA-N 414.397 0.710 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cnn(CC)c1 763461280 SSBSHXIRZWZRES-UHFFFAOYSA-N 424.530 0.873 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 763702180 SWCDRRZGOXWLIE-UHFFFAOYSA-N 418.519 0.898 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 765639421 DWTWHBALGNGMKL-RISCZKNCSA-N 417.534 0.171 30 20 HCED CCN(CCO)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 769227348 DBPVVGVIMUUTQS-HEHNFIMWSA-N 411.528 0.935 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 771198535 BDILYJCWUDTINM-UHFFFAOYSA-N 405.414 0.838 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 772124593 ZURZLDSDEWQRJA-UHFFFAOYSA-N 407.492 0.778 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1)c1cc[nH]n1 772489762 XMBITYMGTSQGCB-RDJZCZTQSA-N 420.514 0.178 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)[C@H]1CCCO1 773795718 KOKYSFBVWOJVPG-NVXWUHKLSA-N 405.476 0.770 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CN(c3ncccn3)CCO2)c1 774629578 FCIRSXTVSRRUPL-INIZCTEOSA-N 416.459 0.450 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780045550 BGAQARNCCLCQRT-CVEARBPZSA-N 415.494 0.975 30 20 HCED Cn1cc([C@@H](O)CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 782810946 PJRLZOUSWBBQFX-HNNXBMFYSA-N 413.825 0.919 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 783481915 ZEMIXTPANZBDNO-MRXNPFEDSA-N 400.460 0.519 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N(CCO)Cc1cccnc1Cl 787774819 LDJUFQQOXXZWHG-UHFFFAOYSA-N 402.842 0.551 30 20 HCED NC(=O)C1=NO[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 787933141 XFCRRENPYFJTEY-LBPRGKRZSA-N 421.479 0.032 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794614679 VKWZINAOXYTVJO-OAHLLOKOSA-N 416.503 0.179 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)CSc2cccc(F)c2)CC1 796178674 DBBVBYKDCRVIDI-HXUWFJFHSA-N 407.511 0.953 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)C1=O 801352890 PDELJBHJHZNFDU-LBPRGKRZSA-N 418.381 0.420 30 20 HCED C#C[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 806103865 SYUYPOTVPOATRH-OAHLLOKOSA-N 422.507 0.687 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c(F)c1 807357168 KWKCJYMBMLHXDV-NSPYISDASA-N 404.373 0.864 30 20 HCED CN1CC[C@H](C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1=O 809124417 AJHHHKRIKDGQDV-MRVPVSSYSA-N 404.217 0.743 30 20 HCED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 810773203 UYOSYXIBNHTMHO-SFHVURJKSA-N 407.448 0.240 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nnc(O)o2)C1 816498633 CURRHZSTUSYQRQ-LLVKDONJSA-N 405.436 0.610 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(Cl)cn3)CC2)c1=O 921188725 PZPQCTJMDNBLBH-UHFFFAOYSA-N 418.885 0.372 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)cc1 1176556924 RLMQOCAPJARTCL-HXUWFJFHSA-N 413.455 0.819 30 20 HCED CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1209911148 LINQCLAGEGLSHK-LLVKDONJSA-N 420.260 0.985 30 20 HCED CC(=O)Nc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1301794968 KERXFXOAHLPDSM-SJORKVTESA-N 409.450 0.965 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)COC(C)=O 1321052309 PBAMQPDNDXJBBZ-ZFWWWQNUSA-N 411.480 0.324 30 20 HCED C=CCN(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)[C@@H]1CCS(=O)(=O)C1 1323198206 VMRRUBUHRXZSKX-OAHLLOKOSA-N 401.506 0.197 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCN(C=O)CC3)CC2)cc1 1343961970 OWCIKJWBJHCIPQ-UHFFFAOYSA-N 404.492 0.650 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1510296128 XDZIFNQWXOKFDG-RDTXWAMCSA-N 409.512 0.462 30 20 HCED CCS(=O)(=O)NCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CC#N 1516852540 PSVUUICUAOIGGK-AWEZNQCLSA-N 408.532 0.817 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1517626923 OLQUPDRTFUBANS-HNNXBMFYSA-N 406.468 0.232 30 20 HCED CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1611975714 KOBCOVJLKAWMNI-CQSZACIVSA-N 411.462 0.624 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1nnc2n1CCNC2=O 1644475164 VSQBFNWVEUBOFO-AWEZNQCLSA-N 411.466 0.797 30 20 HCED Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)n[nH]1 1693366171 JGGFIQQSSMSXRQ-HNNXBMFYSA-N 418.527 0.980 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1712876055 LHSDNIULLCKDQZ-KPZWWZAWSA-N 401.402 0.694 30 20 HCED COC[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)OC 1769258068 XINLAXOKCURRAH-IRXDYDNUSA-N 411.466 0.907 30 20 HCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274817 HLDAOOIFOHWLMF-UGKGYDQZSA-N 412.490 0.631 30 20 HCED Cn1c(=O)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)nc2ccccc21 1778626222 JTTFSPHIJNSNFT-VGOFRKELSA-N 423.473 0.975 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4ccncc34)CCO2)C1 1778974284 XZBWDCRIODQJGM-DYESRHJHSA-N 413.478 0.746 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C2 1779339504 NDHMHPFSWYNMNP-CTRXZIQJSA-N 409.527 0.598 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779440433 YYLNNVWKYKDBFL-RUAWEETCSA-N 418.494 0.724 30 20 HCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)C1 1780202449 SSZXLHVHQLTYTG-FQEVSTJZSA-N 413.434 0.698 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(OC)n(C)n2)C1 1780241277 CXBCYORJWHBVII-LUQKVYGDSA-N 418.494 0.595 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)c3cccc(Br)c3)C2)C1 1780973811 GMEAYNCGLYXUCK-AEFFLSMTSA-N 407.264 0.946 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c(Cl)c1 1781044598 ABZZUGDDHJYKQG-GZRFBZBPSA-N 418.881 0.378 30 20 HCED Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(O)c1 1782017161 ALVMHSXRYGKMKT-DYESRHJHSA-N 400.431 0.916 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783619115 AEPQKNNFFRIJNR-BOURKTIISA-N 401.467 0.702 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CCO2 1785417737 DBHFQFOTHGVNHF-QKKBWIMNSA-N 414.462 0.236 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1785577208 VCUSGFPFSJGAGT-YCRPNKLZSA-N 421.494 0.712 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785685806 FWXLIGGKOGYEJK-YDHLFZDLSA-N 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411.418 0.415 30 20 HCED C[C@@]1(C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC2)NC(=O)NC1=O 441169796 CHBPFYGUZBDCTR-SFHVURJKSA-N 403.826 0.987 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 446139630 SJVIGPIALZPHRX-CYBMUJFWSA-N 420.470 0.446 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 446528984 XYDKDEPKRVZYGD-UHFFFAOYSA-N 417.441 0.723 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)[nH]c1=NC(=O)C(=O)N1CCC(c2cn[nH]c2)CC1 460805947 NMMPBDGOXSEBRP-UHFFFAOYSA-N 404.434 0.937 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2=O)n(C)n1 464113320 HRCHZUDDUJFYCM-MRXNPFEDSA-N 404.434 0.903 30 20 HCED CN(CC(=O)NCc1cccc(OCC(N)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 464165637 DLMYEPPBOLFDCB-UHFFFAOYSA-N 416.459 0.359 30 20 HCED CCc1nc([C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1 464468261 NAHPFOCNZRBDBR-OAHLLOKOSA-N 418.479 0.459 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464911401 KOTHETSMBRZJEX-ZWKOTPCHSA-N 414.558 0.842 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(c1)c(O)nc(=O)n2C 465265771 HVDCDTGAWIWMQI-NSHDSACASA-N 406.406 0.047 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472861859 PWESGGZCPHDMTH-UHFFFAOYSA-N 409.450 0.247 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCC[C@H]2CO)cc1 478078012 GLTBRHCFGPVFKL-KRWDZBQOSA-N 408.524 0.845 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 480528912 SJVZIBVVQXUIKX-YOEHRIQHSA-N 418.519 0.990 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1 480973952 VYEIHKVHEKIXOQ-SOZUMNATSA-N 419.463 0.872 30 20 HCED Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 481233506 ZZLQUVOHFPYXIF-UHFFFAOYSA-N 406.402 0.685 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 481252841 PBIHARIPUOBEJV-CJNGLKHVSA-N 422.532 0.749 30 20 HCED Cc1ncc(S(=O)(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C#N 489635823 QRGJQYPWHUHNBP-UHFFFAOYSA-N 410.433 0.922 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1nnnn1-c1ccccc1 506863395 DLQSAWJCAPKDOP-UHFFFAOYSA-N 409.435 0.871 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 509720057 IRSNJANMEGRVFQ-IBGZPJMESA-N 401.511 0.307 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CC(N)=O)CC2)cc1 511575994 ANMIMANUUZPIIE-UHFFFAOYSA-N 422.507 0.546 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)cnc21 511795244 QTPOFEPHYUDOAE-INIZCTEOSA-N 404.430 0.884 30 20 HCED CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)NCC(=O)NCC#N)CC1 511901356 OHGKPMOIPIMOHM-UHFFFAOYSA-N 421.523 0.687 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)C1=O 517995035 USYXXPMYFWXLGS-GOSISDBHSA-N 420.554 0.631 30 20 HCED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 518982699 QBTUSEWBLDVNEX-UHFFFAOYSA-N 402.454 0.535 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N[C@@H](C)CC)cc1 520576372 YRGPEQSIJDWKTD-AWEZNQCLSA-N 424.523 0.853 30 20 HCED C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 524575255 KWFYOQQENCHRDW-HOTGVXAUSA-N 405.524 0.954 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@](C)(O)COC)nnc12 530878276 WFUUQKZLMOHMHM-IBGZPJMESA-N 417.491 0.836 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 533223418 AUFGVUUYNDXZRG-CQSZACIVSA-N 421.523 0.745 30 20 HCED CN1CCC(O)(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543928502 RMBGEVGMUZGQGJ-UHFFFAOYSA-N 400.414 0.394 30 20 HCED C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549645878 AYMKGNKZAYEGLZ-UHFFFAOYSA-N 418.465 0.728 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 551733524 XYKPOLOBXKTHHY-UHFFFAOYSA-N 412.418 0.747 30 20 HCED COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H](C)C(N)=O 553615949 SJNNDADUTOGCEU-QAPCUYQASA-N 405.474 0.357 30 20 HCED CN1C[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCC1=O 554392356 MSYDKXKSAUMQCC-INIZCTEOSA-N 420.473 0.492 30 20 HCED N#Cc1ccc(OC[C@@H](O)CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 554840191 XNLFPYMGRHDXPO-IBGZPJMESA-N 408.458 0.660 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(C)c2)CC1 557190543 YCDYZTISUWWOJC-UHFFFAOYSA-N 400.523 0.835 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1cncc(C#N)c1 562054810 TVUXTYYVUKKYLD-UHFFFAOYSA-N 410.477 0.045 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCC(=O)Nc3ccccc3)CC2)nc1 562187744 WLFYAUOIFHAINL-UHFFFAOYSA-N 406.446 0.747 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1 568938357 XICWXWJJSPQRMT-LBPRGKRZSA-N 418.397 0.364 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnn3c2OCCC3)CC1 581168526 SXUKLTCBFHTLJQ-UHFFFAOYSA-N 401.448 0.684 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)s1 582027169 LCMKXSBBGQXZBD-UHFFFAOYSA-N 420.516 0.981 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N(C)Cc1cnn(C)c1 583015341 BLEOJSKPHPNXGF-UHFFFAOYSA-N 404.452 0.890 30 20 HCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CC2)c1=O 590998891 SLXSRTGUOGBYMY-UHFFFAOYSA-N 413.499 0.909 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)cc2F)c1=O 603924475 BRYOIYIOSATYDN-UHFFFAOYSA-N 407.442 0.864 30 20 HCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2NC1=O 604168515 AWWSKXYIXUPFGB-ZDUSSCGKSA-N 420.429 0.960 30 20 HCED C=CCc1ccc(OCC(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(OC)c1 605379062 FRFAZYYKPJCDDA-GOSISDBHSA-N 417.506 0.852 30 20 HCED Cn1c(N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c(C#N)c(=O)n(C)c1=O 609564158 NLUSUTXOBXEHJR-MRXNPFEDSA-N 403.870 0.465 30 20 HCED C[C@H]1C[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C(=O)N1c1cnn(C)c1 610698241 YJLNMDVGEFHORW-LZWOXQAQSA-N 423.481 0.496 30 20 HCED N#CCc1cccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 619478593 AVUMKLFGEDZZFM-UHFFFAOYSA-N 424.460 0.918 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 729153317 KRMTYVUKPZCPPK-CQSZACIVSA-N 409.464 0.861 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCNS(C)(=O)=O 729790586 CEZVYAFGYYZEHT-CYBMUJFWSA-N 417.509 0.232 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)COc3cccc(C#N)c3)CC2)CC1 729979519 DXRBISMCWFQSOE-UHFFFAOYSA-N 413.522 0.634 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cccc(C)c3)CC2)c1=O 732462665 LWVWJCMRSANSQD-UHFFFAOYSA-N 411.506 0.627 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCc1ccccn1 732797087 LOMQYAKJFSRQBT-UHFFFAOYSA-N 422.514 0.574 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)OCCn3ncc(C#N)c3N)CC2)cn1C 733697655 KCSADADSRIHDDH-UHFFFAOYSA-N 421.483 0.023 30 20 HCED C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 733860866 IMADYZLDSKGTRH-VNQPRFMTSA-N 406.460 0.904 30 20 HCED CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737304470 IVBHRTOLDXRRQM-OSEFQUDUSA-N 424.523 0.961 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCN(C)C1=O 737951079 FEPMXQPLKRAGSL-LSDHHAIUSA-N 406.508 0.973 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 743905104 BEHRHWQCVJRMPE-UHFFFAOYSA-N 416.453 0.543 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCCc1ccccc1 746788655 YOKUVDVQJKLMRQ-UHFFFAOYSA-N 400.460 0.200 30 20 HCED C#CCNC(=O)C1CCN(Cc2nc3c(c(O)nc(=O)n3CCCC)n2C)CC1 747820487 YTWZOLIRIMEAQE-UHFFFAOYSA-N 400.483 0.597 30 20 HCED O=C(CON=C(c1ccccc1)C(F)(F)F)NC(=O)N[C@H]1CCS(=O)(=O)C1 751956177 ZCYRHTSZBZTJDQ-NSHDSACASA-N 407.370 0.983 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)[C@H](C#N)C1 752002202 MRCHTKBXPRRQHG-ZIAGYGMSSA-N 411.484 0.978 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nn3c(=O)cc(C)nc3s2)c1 753659554 UPPAFGCKBQRELA-UHFFFAOYSA-N 418.456 0.728 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)CC1 761262205 XLRNRCJWBHUAOT-UHFFFAOYSA-N 415.537 0.786 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 770249279 UWNVUEPUXSBVGJ-UHFFFAOYSA-N 414.325 0.813 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3C[C@H](C)O[C@H](C)C3)no2)c1 771226784 XRVSKYWNLCKTKT-OKILXGFUSA-N 418.475 0.826 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3F)c2=O)cn1 772285198 ULVLMLZWCZCSAP-UHFFFAOYSA-N 413.409 0.723 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)c1 772534665 NHXPWBFYVDOYHW-UHFFFAOYSA-N 415.446 0.555 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CCCC1 779317521 IKRQNVMITIICMD-UHFFFAOYSA-N 417.447 0.976 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)ccc1F 781449349 AROCVNJMXHKPRV-ZFWWWQNUSA-N 400.428 0.429 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C#N 785522775 GCWHJAFRKOJGLL-GFCCVEGCSA-N 416.459 0.708 30 20 HCED COC(CN(CCCO)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)OC 787279047 ZUWHGEDEHTUWSL-ZDUSSCGKSA-N 413.496 0.334 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 792448577 AGDHCPGATOOMFR-AWEZNQCLSA-N 423.491 0.573 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1 805092812 ZPGRDUNJEVUMPH-UHFFFAOYSA-N 407.477 0.263 30 20 HCED Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 806242349 ZTBNALAGLZUYKT-GOSISDBHSA-N 422.493 0.541 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cc(F)cc(OC)c2)n1 806455639 VEHQOIMYEHAAHV-UHFFFAOYSA-N 402.426 0.955 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 807338184 ZIRPWCHKERZSPC-HNNXBMFYSA-N 419.441 0.322 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC=C 812274180 XCZWBFBJLJUDDX-UHFFFAOYSA-N 405.430 0.572 30 20 HCED CN(CC(=O)N1CCN(c2cnccc2C#N)CC1)C1=NS(=O)(=O)c2ccccc21 814145030 HBRDEGPWJJHGTG-UHFFFAOYSA-N 424.486 0.683 30 20 HCED CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)CCO2 815798901 XKXCUXGCTJAYDG-UHFFFAOYSA-N 418.454 0.584 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 815860671 VWVFBFPZABJIIR-UHFFFAOYSA-N 400.479 0.098 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 815860889 FZAFCWVNBVVYEN-UHFFFAOYSA-N 406.508 0.481 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 816023290 WAOVLCDSPAHLCG-BETUJISGSA-N 403.416 0.323 30 20 HCED O=C(COC(=O)CC[C@H]1NC(=O)NC1=O)NCC#Cc1cccc(C(F)(F)F)c1 913267160 WSPAVTWNNHQQEL-CYBMUJFWSA-N 411.336 0.705 30 20 HCED C=CCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 915248992 BJTFNBPDMPGSHZ-GFCCVEGCSA-N 414.436 0.455 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc(C(N)=O)cn4)CC3)CC2=O)cc1 1115908891 ITAHKTZHPZZROA-QGZVFWFLSA-N 418.457 0.754 30 20 HCED C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(=O)(=O)C1CCOCC1 1116775548 DMJQVDLOYQGPKJ-KSSFIOAISA-N 419.503 0.758 30 20 HCED O=C(NO)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 1116868584 DUKDIPZIYRRWNN-UHFFFAOYSA-N 418.475 0.918 30 20 HCED COC(=O)[C@@H](COC1CCC1)N(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1266147450 RVFGIZNCGGKQJB-CQSZACIVSA-N 409.464 0.294 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@H]1C 1288870073 MJBIDTOIMRGAMS-ILXRZTDVSA-N 411.532 0.101 30 20 HCED C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)C1 1303935395 INWKLTQXTLIPRD-HXUWFJFHSA-N 415.498 0.503 30 20 HCED C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C 1339240870 YZQFQQAZFHWBMA-GFCCVEGCSA-N 405.484 0.686 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1339649458 AQWLBMMXUBDHMH-NSHDSACASA-N 415.493 0.129 30 20 HCED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)C 1517812995 OSNGDWJPFYAXST-BFHYXJOUSA-N 400.505 0.288 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1521063806 VGTLWQXACBENEV-CXAGYDPISA-N 410.475 0.496 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)C(=O)NC 1545928879 LJDZSYSOPPLURV-CQSZACIVSA-N 405.503 0.697 30 20 HCED N#CC[C@]1(O)CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1564703668 SVMBOQWKUABBGB-UWJYYQICSA-N 418.469 0.903 30 20 HCED N#CCc1ccccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1621650447 TUEGDUIZLBURMH-UHFFFAOYSA-N 420.516 0.911 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 1635347354 YWSQBKQFEJMGPT-GDBMZVCRSA-N 423.491 0.328 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1661588140 RDLPRXOVLYCQJR-MRXNPFEDSA-N 419.500 0.605 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1cnn(C)c1 1690993846 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C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1837400986 RXJHTMDCHIVOIP-SPEDKVCISA-N 423.554 0.358 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)Nc1cccnc1)CCO2 1837632098 HVFHYMJVSMNMAL-NRFANRHFSA-N 414.462 0.280 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837964015 HLDYGQNNLIOBLZ-SFHVURJKSA-N 419.526 0.850 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837968600 CZHDPDBSQMTIOX-UWJYYQICSA-N 422.478 0.415 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncc4O)C3)C2)c1 1838738090 PSXLNPCQDWYGAG-FQEVSTJZSA-N 411.418 0.371 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ccnn3c1)CCO2 1839568603 BTFFZHRYZIAOEB-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839886498 DPAGKSRUBNCZOI-KBXCAEBGSA-N 415.437 0.180 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839986229 JWWOEOFBQHRLEI-FQEVSTJZSA-N 424.498 0.517 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542600 JISFJIKSHUTFJG-HNNXBMFYSA-N 418.494 0.372 30 20 HCED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1)c1ccccc1 1841960447 ZRMYKTFLGAQDIN-MSOLQXFVSA-N 422.485 0.985 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1844237228 HRBRKHJWEWVAIB-HZPDHXFCSA-N 410.467 0.258 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1 16559087 ONMRGCHPFUCUOD-UHFFFAOYSA-N 421.353 0.143 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 24378403 IRBCDMKVWNVUNT-AWEZNQCLSA-N 422.507 0.596 30 20 HCED CS(=O)(=O)NCCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 150088032 JJMWUPZMXJLGNY-UHFFFAOYSA-N 406.424 0.651 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)C 440396752 FYMPTLDGKYKODI-UHFFFAOYSA-N 400.460 0.296 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 463203663 GWMFQMZBCNWDLV-ORPNCOOFSA-N 422.485 0.948 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 465120041 JINOCFZSLLTACB-UHFFFAOYSA-N 422.489 0.501 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2)nn1 475814715 TUJWHDQFAKFABM-SJLPKXTDSA-N 422.445 0.901 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N=c1cc[nH]cc1 481279186 URTINGDELUSRSS-CYBMUJFWSA-N 401.448 0.187 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(C)=O)s1 497775193 YJRBQDGDPYWQLJ-CYBMUJFWSA-N 406.551 0.791 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 498697805 VLKXLADNULPICB-HNNXBMFYSA-N 420.491 0.265 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 508939158 QVVXXHWVEMBBMW-AWEZNQCLSA-N 409.516 0.693 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)cc1 510958523 LXJMOZOZMIVWDR-UHFFFAOYSA-N 406.468 0.953 30 20 HCED C[C@H](CNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)CN1CCN(C)CC1 514026725 KHTNPWIKAYXLPQ-HYFFOGBASA-N 410.522 0.925 30 20 HCED C[C@H]1CN(C(=O)c2ccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)C[C@H](C)O1 516366549 UHRHJRVKGMMZHI-KBPBESRZSA-N 411.462 0.817 30 20 HCED N#C[C@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 521575562 VJWCEFSCWVQXFP-AWEZNQCLSA-N 409.464 0.657 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2)c1=O 522284489 SOAZVPYJDITADO-UHFFFAOYSA-N 413.499 0.737 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)C1=O 523412154 DOKVPYOOPLMSQB-UHFFFAOYSA-N 404.467 0.651 30 20 HCED COC[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 532972139 QXOFDGQNQVGKOU-OAHLLOKOSA-N 415.450 0.802 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 533069190 PPQBSVMDTQQZGJ-LSDHHAIUSA-N 409.487 0.999 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 533251617 UHKOIVDYXSPBLG-IIDMSEBBSA-N 421.523 0.056 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 549646731 JJBFYNBGNULNFR-UHFFFAOYSA-N 412.498 0.760 30 20 HCED COCCO[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 549678371 FCAIKPGCNJAPDT-OAHLLOKOSA-N 415.425 1.476 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CC2 557503718 SHIHHYCKNKYLJF-LJQANCHMSA-N 421.505 0.624 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 565980115 QJEAEGWOYBOJFJ-IIDMSEBBSA-N 409.450 1.395 30 20 HCED C[C@@H]([C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)S(C)(=O)=O 574325265 DAOSRPONGLFMFP-NEPJUHHUSA-N 404.452 0.357 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 583471658 UTHAQCLUZCFYTO-UHFFFAOYSA-N 403.258 0.267 30 20 HCED CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 588258946 RUPKXRLRMQXQBH-MRXNPFEDSA-N 401.515 0.239 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)n2)cc1 610699855 QRNDVVKSIBBIBR-IRXDYDNUSA-N 410.434 0.543 30 20 HCED CCOC[C@@H](C(=O)OC)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 610942454 UHMFBGPJQLZNEY-CVEARBPZSA-N 416.434 0.800 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 726641542 JTZQOVJVACWVDX-ZDUSSCGKSA-N 400.501 0.753 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc1 729009880 GINGTYVSLPBWMZ-HZPDHXFCSA-N 406.460 0.414 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1=O 730254913 ANWWWXIYHOBBJV-CQSZACIVSA-N 407.471 0.100 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732416288 OOTOWIVFACYWQM-FBMGVBCBSA-N 415.406 0.237 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 734453787 QKSYKYHBFBNCSM-INIZCTEOSA-N 419.551 0.354 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C[C@@H]2CCOC2)CC1 740384847 BRXJJXYQTPVDET-HNNXBMFYSA-N 421.475 0.361 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 745146543 ROWVPYXGYRHMCW-BDJLRTHQSA-N 417.509 0.618 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745358475 ZZZLXSMHVCTTDE-ZDUSSCGKSA-N 400.501 0.672 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 746249953 MCRQGNCAYGKUKV-VEGAHXMMSA-N 412.490 0.963 30 20 HCED O=C1C[C@H](Cc2ccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C(=O)N1 747551882 YBJNOFKNJXDKQY-HDRCJFCASA-N 411.418 0.540 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)CC1 747734987 BCWZRTJFYPODOR-UHFFFAOYSA-N 421.519 0.742 30 20 HCED C#CCNC(=O)C1CCN([C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 747820409 UHEVYFWKKLZZIK-CQSZACIVSA-N 414.462 0.956 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(Cc3ccc4c(c3)OCO4)C2=O)CC1 749874081 KCQYUMNOIFFUMC-NRFANRHFSA-N 412.446 0.046 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1C#N 752406598 YVZJOPLVBCWHML-CYBMUJFWSA-N 408.436 0.759 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756230692 HVHJWCAOQWJILI-MGBSGCIJSA-N 408.414 0.451 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cnc3nc(O)nc(O)c3c2)C1 757587683 KXFVNYVBSYRVHC-JQWIXIFHSA-N 400.395 0.925 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 760262096 PVFSCFXZMBEFJP-UHFFFAOYSA-N 404.474 0.971 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc(-c3ccco3)cs2)CC1 761023583 IPFKVZKLMQUGDJ-UHFFFAOYSA-N 409.493 0.427 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(F)(F)CO)cc1 768334353 VKMQFEUYPNNDOJ-FYJGNVAPSA-N 418.422 0.182 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)[C@@H]1CCCO1 773058049 QOWGTOGPKZWYGQ-IRXDYDNUSA-N 401.506 0.959 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 776140654 GCYJQMYKXHGMDG-UHFFFAOYSA-N 415.493 0.317 30 20 HCED CC[C@H]1C(=O)N(CC)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 779344392 UVBQCAGOHFINNM-HNNXBMFYSA-N 406.508 0.975 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 781297597 MBTQLJYWDNHOGT-SFHVURJKSA-N 407.448 0.519 30 20 HCED Cn1nc(Br)cc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C)c1=O 782643744 ZGNXZMOULQDGOM-UHFFFAOYSA-N 422.308 0.068 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 785862660 VZHDDUYCYQAHJQ-UHFFFAOYSA-N 409.450 0.029 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCCc2c(C)nc3sccn3c2=O)C1=O 803331282 XIVSCRCXYZTHRR-UHFFFAOYSA-N 404.404 0.127 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)n1 807613746 NRYKMYPXRUHWHA-KZNAEPCWSA-N 402.495 0.811 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 810773452 FTTBKOCQKOUYRJ-OAHLLOKOSA-N 408.476 0.564 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCn2ncn(C)c2=O)cc1 815041643 LHKUTPHRWCGPTO-HMMYKYKNSA-N 406.468 0.423 30 20 HCED O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N[C@H]1CCCN(O)C1=O 820470745 FGGAKLISAIUEMN-ZDUSSCGKSA-N 413.452 0.013 30 20 HCED COc1c(F)cc(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1S(N)(=O)=O 915547988 FANRGSMBTVBYQR-QGZVFWFLSA-N 413.427 0.376 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(O)CC2)c1 918299349 OHXXTDVONDNOEA-CAPFRKAQSA-N 408.480 0.421 30 20 HCED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2OCC)nn1 983358295 FXJDXIUEHBNFFP-IFCWYPFCSA-N 403.483 0.625 30 20 HCED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1303645746 PWMCODQEZZOUII-ZFWWWQNUSA-N 416.507 0.952 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2=O)n1 1312101239 KVKCLULDDFUFNN-KRWDZBQOSA-N 408.466 0.714 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OCC)CC1 1319379994 NEELPMGRBBJNBE-QGZVFWFLSA-N 422.526 0.248 30 20 HCED Cn1ccnc1N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1319534835 KYYDWWNCJLOGPC-QGZVFWFLSA-N 421.461 0.846 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 1335585419 QOPCWRZBRRMTNS-UHFFFAOYSA-N 400.526 0.646 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CC2)cc1 1454262392 VVGOHTTZAJWVQC-IBGZPJMESA-N 411.506 0.388 30 20 HCED Cc1ccccc1CN1CCC(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)CC1 1459210454 KMJFYTLUSMCYTL-UHFFFAOYSA-N 409.490 0.816 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)c(F)c1 1460909642 SHZPALQWQSXITJ-UHFFFAOYSA-N 406.439 0.987 30 20 HCED 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C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2)C(F)(F)F 1840609759 SWOGFNPIHJCUSA-XJIUQZFPSA-N 404.385 0.454 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846967516 YBTAXPYCLGGPKM-UHFFFAOYSA-N 404.467 0.444 30 20 HCED C=CCNC(=O)NC(=O)CN(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 16558787 OQDNWXIYAGQRKK-UHFFFAOYSA-N 403.439 0.774 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1=O 25521522 ZBAJWSUSWTWOQD-UHFFFAOYSA-N 417.378 0.099 30 20 HCED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C#N)C1 410118804 IGSHWGNPAVGTLR-OLZOCXBDSA-N 423.413 0.846 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 441299618 AQYRJGTYXAIVJL-UHFFFAOYSA-N 412.425 1.148 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C 442208595 MJQKGXALDFKZEM-ZDUSSCGKSA-N 411.466 1.148 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)NCCN2CCN(c3ncccn3)CC2)cn1 462082695 CTSVVIVZPZJVPA-UHFFFAOYSA-N 418.465 0.873 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 472881969 POQHQFAIFKQWFM-UHFFFAOYSA-N 414.470 0.121 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 480926112 IDOLYZSLVKQAPI-LLVKDONJSA-N 405.501 0.315 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)Cc2cccc(OC)c2)C1=O 482349303 HHOIJLIFQOMEAG-UHFFFAOYSA-N 402.451 0.562 30 20 HCED CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 485104774 ICYNZQRYKOYPPW-GOEBONIOSA-N 419.463 0.859 30 20 HCED C[C@@H]1OCC[C@H]1N(CCO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 485193106 QDBZCHUGNCZRKQ-SWLSCSKDSA-N 401.398 0.820 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1 490448509 KXZOYZQESPJUIQ-UHFFFAOYSA-N 424.461 0.907 30 20 HCED C[C@@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nncn1C 494799420 JTRBNBHWUMQVRQ-CYBMUJFWSA-N 410.438 0.934 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1C#N 499490624 KKUOQPVINBYWCZ-SFHVURJKSA-N 406.402 0.137 30 20 HCED CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 503580630 CQAUVKNXPYOCCJ-UHFFFAOYSA-N 422.507 0.526 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@@H]1[C@H]1CCCO1 507317650 XJUHVOCORJYSOT-HZPDHXFCSA-N 410.434 0.792 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)n1 508321444 FZMAVTDYVLSKCB-UHFFFAOYSA-N 407.434 0.594 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n1 508607238 ZFHBHCKPZJLQRS-GFCCVEGCSA-N 416.404 0.828 30 20 HCED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccc3c2OCO3)c1C#N 509252844 CZDPRAHNDGMAFU-UHFFFAOYSA-N 405.436 0.890 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 509414636 HHRXNPHDWHNJFK-GFCCVEGCSA-N 422.479 0.750 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 509725050 BSQIRHXOIYHQGT-GHMZBOCLSA-N 419.912 0.429 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c(OC)c1 520518104 NTRBLSRSGNGLGJ-GJZGRUSLSA-N 418.450 0.191 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 523129136 LYHRMQQOPSGHAT-OKILXGFUSA-N 409.464 0.623 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 530893600 UQACMRPASLPHPO-UHFFFAOYSA-N 414.512 0.837 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 537426956 XBYKKNSHXDNAIP-UHFFFAOYSA-N 415.537 0.750 30 20 HCED C=CCSCCNC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 552194496 FKYJGFMVAILGHL-ZWKOTPCHSA-N 416.547 0.737 30 20 HCED CCOC(=O)CC[C@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 553850011 LEDRQZADVHXAEO-SFHVURJKSA-N 407.448 0.986 30 20 HCED CN(CCc1cnccn1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558056722 JOPPPVLRYJMNKF-SFHVURJKSA-N 406.446 0.266 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C#N 559929387 LIARPQYGJPHDAR-LBPRGKRZSA-N 415.479 0.611 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCSC[C@H]3CCO)C2=O)cc1 569028409 BBISBIOLBSKEQD-SJORKVTESA-N 416.503 0.102 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1 570862209 MVEZKZJNFBEQHB-MRXNPFEDSA-N 406.508 0.454 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 584077109 AEEHGKGEFWGZIT-MJGOQNOKSA-N 422.570 0.827 30 20 HCED CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 585768661 GKVBNZCHZIHPFA-UHFFFAOYSA-N 413.478 0.840 30 20 HCED CC(C)CN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868688 PONNDIJSCSGIKR-LJQANCHMSA-N 413.522 0.822 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 611200264 VEYJGZJOJGWSEZ-UHFFFAOYSA-N 402.436 0.428 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 618876806 FFUPAFVSNVPWAZ-KRWDZBQOSA-N 404.430 0.632 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 678683659 JNQFQRJZGYYACX-ZWKOTPCHSA-N 400.479 0.599 30 20 HCED COCC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 726300523 LRFGWWYZLAGREF-JPDJOPTESA-N 410.496 0.979 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc1 730895413 KORPDTSBVOAERH-CABCVRRESA-N 407.448 0.305 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nnc(S)n3CC)C2)C1=O 732078342 JPSWMLKMYPWDTN-NSHDSACASA-N 406.468 0.270 30 20 HCED NC(=O)[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(F)cc1 732465693 IWYDRIMNWLPLOP-VDMFXUGISA-N 403.414 0.295 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732781795 TWEZPRDDBJHBOJ-OAHLLOKOSA-N 419.551 0.400 30 20 HCED CC(=O)N[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(C)cc1 732908384 JTNHYVRDAWKYRW-DLBZAZTESA-N 405.476 0.528 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(C)CCOC2)c1 733668876 XYNCWCYKUIOJDJ-NDWLXSOOSA-N 422.507 0.981 30 20 HCED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)Nc2cnn(CC#N)c2)cc1 746420916 HLLVSYYWFLPHJU-UHFFFAOYSA-N 404.452 0.091 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NCCNc1ncccc1C#N 750252264 GVJWRXMNQIWLRA-UHFFFAOYSA-N 417.437 0.359 30 20 HCED CC(C)OC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 750650514 OJYVGAUWJLYGFS-QNGOZBTKSA-N 424.479 0.506 30 20 HCED Cc1cccc(Cn2nccc2NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 756782098 VMKKCMBZKIFLRZ-VHEBQXMUSA-N 422.445 0.821 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)C1 758565725 UYWLBDRIKNTUND-OLZOCXBDSA-N 400.501 0.869 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 761031682 AKORFCJBLAIYDZ-LJQANCHMSA-N 404.536 0.825 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCOc2cccc(Br)c2)CC1 761036802 JZPWMFXSMBTESU-UHFFFAOYSA-N 402.314 0.913 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769803594 XBQHFYLDYVKEJW-FZKQIMNGSA-N 406.464 0.823 30 20 HCED O=c1n(Cc2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)nc2ccccn12 771278769 DXAOMYVIOAXDDM-UHFFFAOYSA-N 411.403 0.166 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cccc(N2CCOC2=O)c1)c1cc[nH]n1 772123973 NIAYIUYYLXSXJC-UHFFFAOYSA-N 415.406 0.967 30 20 HCED C[C@@H](CC(=O)N1CCC2(CC1)CNC(=O)O2)/N=C1/NS(=O)(=O)c2ccccc21 781845173 VHDFMOKXDLCNOY-LBPRGKRZSA-N 406.464 0.605 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 787411277 QILMDYSKHHAOSS-OAQYLSRUSA-N 423.429 0.579 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCO1 789833611 HUTJMSYCRQETTM-IEBWSBKVSA-N 403.454 0.700 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)CC1 789928199 JAERHTZDPBHQRJ-UHFFFAOYSA-N 401.854 0.739 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)c1 789959840 ZPQDHOWPKBQHKX-UHFFFAOYSA-N 411.418 0.772 30 20 HCED CCN1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 792476296 OCHPAVUPAKCDRW-HMMYKYKNSA-N 421.479 0.086 30 20 HCED C=CCOC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 796456560 RQBUTSOMSKJUSM-AUUYWEPGSA-N 407.398 0.453 30 20 HCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)CC2 800073788 AZRKVPSQXLSATF-KKUMJFAQSA-N 400.501 0.929 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 800109074 ONZLKGHIAQTILB-ZIAGYGMSSA-N 401.489 0.442 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(CCCC(=O)OC)c1=O 802722563 BUQKQDSZUBYGMK-UHFFFAOYSA-N 415.475 0.123 30 20 HCED C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccnn2CCCOC)c1=O 802724115 VYNKWURZHXJDCR-UHFFFAOYSA-N 412.515 0.894 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 807338124 XZKPMRPRDCRVJL-KRWDZBQOSA-N 406.442 0.591 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)CCO1 809857681 NELADQQZDZLCSR-HZPDHXFCSA-N 400.501 0.979 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 815632939 BWFGKKMWLAWZDJ-OAHLLOKOSA-N 403.414 0.634 30 20 HCED Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 839357796 HYWZWKAOYNLRRB-UHFFFAOYSA-N 423.473 0.862 30 20 HCED Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 919551615 PLHQRWNNGJGBBO-UHFFFAOYSA-N 417.447 0.280 30 20 HCED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1c1ccnn1C 1110841162 UJTLIGLZXWGWEJ-IETPZCKNSA-N 400.483 0.257 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)NCCO)CC3)CC2=O)cc1Cl 1168775183 POMMTVHUUVEFAP-OAHLLOKOSA-N 418.881 0.912 30 20 HCED C[C@H](CN1CCN(C)CC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1251844031 WMIUMAXCAYSZOK-QAPCUYQASA-N 412.494 0.515 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301041991 PADGFYOLNRECPY-OLZOCXBDSA-N 422.960 0.946 30 20 HCED Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1304562455 WFHYWFWRRGZDGS-SFHVURJKSA-N 410.478 0.765 30 20 HCED C[C@H](CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CCN(C)CC1 1313429108 YANCHCUCZFPEBV-OAHLLOKOSA-N 401.515 0.891 30 20 HCED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)Cc1nc(CC(=O)NC)no1 1325860989 NGCLVMQTGQIZRQ-UHFFFAOYSA-N 420.426 0.916 30 20 HCED COCCC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1333756583 BWCIRXNGNSNIOV-UHFFFAOYSA-N 407.492 0.617 30 20 HCED CNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1444932290 RORWHRBUVDPYME-CQSZACIVSA-N 403.870 0.455 30 20 HCED CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cncc(C#N)c2)CC1 1475683336 IMETYEUTHHEBBS-LJQANCHMSA-N 413.503 0.617 30 20 HCED CS(=O)(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1505122156 YYDBAVSDAIGBME-AWEZNQCLSA-N 422.511 0.097 30 20 HCED C[C@H]1CCCN(C(=O)CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1522838593 CSZTXENXLFVIMJ-AWEZNQCLSA-N 406.508 0.880 30 20 HCED N#Cc1ccc(=O)n(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1559423313 MWDKCHQITFUGHK-UHFFFAOYSA-N 416.459 0.057 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1611687352 WKDCMGGRSOCVSF-FIEGYJBRSA-N 418.520 0.241 30 20 HCED CN1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)C1 1618468363 KDJGPNJGMLRUNE-HXUWFJFHSA-N 410.482 0.732 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)c(=O)n1C1CC1 1656801551 LVANAJGKBZWNOM-UHFFFAOYSA-N 413.478 0.386 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@@](C)=O)CC1 1693564865 URBJYDZJZPUBBM-CFJPQMKISA-N 400.512 0.874 30 20 HCED C[C@@H]1CN(CCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1708245782 LTWXPUAXCFPOJX-SJORKVTESA-N 412.498 0.965 30 20 HCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC(=O)N1C 1763077960 KFWUVOCEYGXZOW-QVKFZJNVSA-N 409.494 0.550 30 20 HCED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1=O 1767522345 YDVWUDLAODKPLQ-HNNXBMFYSA-N 414.491 0.530 30 20 HCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cn1 1768649398 XWZKCFONJQGPHG-SJCJKPOMSA-N 423.474 0.782 30 20 HCED Cc1ccn2ncc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)c2c1 1777946038 NLKKJYNIZZMBNO-XMSQKQJNSA-N 424.457 0.858 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777958922 NNGUVSYBGNHPFW-QVKFZJNVSA-N 402.495 0.943 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N(C)C(C)=O)C1 1778102298 ZXOYXIBLNGDKIX-BZSOYRFXSA-N 409.527 0.958 30 20 HCED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)nc1 1778389704 XNXXHQFDDDPSBU-OXQOHEQNSA-N 401.419 0.306 30 20 HCED O=C1COc2ccc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2N1 1778572804 WZZZZUKMMXMOEW-QFIPXVFZSA-N 409.442 0.874 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1778963746 APSLSJKRISSLRS-XIKOKIGWSA-N 409.512 0.596 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1cncnc1)CCO2 1779016535 HVCHYFNOMNKHLU-JHXRPTDYSA-N 414.510 0.711 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1780176391 UZLFJZJABPUTAP-JYLXEMOASA-N 411.458 0.903 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780395691 BSUWEPHBAAYUJP-MVHAPSEQSA-N 402.407 0.323 30 20 HCED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2 1782394168 JFYZMZSVFFHFIB-XMSQKQJNSA-N 413.474 0.908 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C1 1783189483 MIVFBDKUFCRNLO-XJKSGUPXSA-N 408.467 0.708 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1783529061 BCNCYDWUDUTGSQ-GFXHUTCISA-N 415.494 0.180 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(F)CCCCC1(F)F)CCO2 1783565772 YWUJOUISRKBJOD-DLBZAZTESA-N 402.369 0.822 30 20 HCED COc1cc(F)cc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783567417 NWYLDGIJNFYJDZ-GMKGHPLGSA-N 416.405 0.765 30 20 HCED COc1cc(F)ccc1CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783568298 RTABFCCMKNBUHD-HXUWFJFHSA-N 404.394 0.295 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1785442610 IQIYNFDRZUXJHH-WWMYMODYSA-N 409.527 0.694 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn4c(O)nnc34)[C@H]2C1 1787387379 DBBFOUPKPJHEPP-IMIFBBOLSA-N 405.480 0.347 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1)c1ccccc1 1787426132 RAEQKFCMFFDMDA-SSTJLMRISA-N 412.534 0.449 30 20 HCED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(C#N)c4)[C@H]3C2)cc1O 1789508584 KFMHVSMBGBSWFU-BQFCYCMXSA-N 409.446 0.904 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3C)[C@H]2C1 1790648300 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C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cc(C)on1)C2 1793583928 NHRGSGJOTGFNSF-LVQVYYBASA-N 404.467 0.942 30 20 HCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncn(C)n2)c(C#N)c1 1794592414 ZFYUAEACZLQLPD-HGKCTWBKSA-N 424.461 0.141 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O 1794670104 SJLFNAVETOFGRN-SRZYUBKWSA-N 418.450 0.866 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1795597803 FTYHYTSETNNSPZ-CEQLMSFQSA-N 408.502 0.910 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nn1CC 1796132933 JVUVWJDEHAFIJG-HGKCTWBKSA-N 418.494 0.924 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2 1797712569 MCZRACUHOCOYCD-ZMMAXQRCSA-N 404.511 0.826 30 20 HCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797767377 RZXRPWCYNSQPMP-QZLJAVCYSA-N 407.540 0.821 30 20 HCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2 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30 20 HCED C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831159940 DIHPYPZZGCVIQY-WBVHZDCISA-N 423.510 0.740 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1832461049 ODIIVGBSEMKKOV-YJBOKZPZSA-N 409.512 0.215 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834121640 KWDUYBYYQKCOGS-OXJNMPFZSA-N 421.498 0.599 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n(C)n1 1834164713 AKCQARAOXNZTBK-JOCHJYFZSA-N 423.473 0.984 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834306150 QSFCGZAONFPZBF-WHEDMDOKSA-N 413.434 0.259 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cnn1C 1834429621 HOOQEBJZIOKHJL-FQEVSTJZSA-N 401.467 0.492 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392710 GOBXXDPDMBMPQZ-JOCHJYFZSA-N 421.538 0.543 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837394675 HEMXBXQKSGFZJR-KKSFZXQISA-N 420.462 0.283 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837395305 WTVYJPWVQPXTRV-LAUBAEHRSA-N 403.479 0.725 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)CC3CC3)C2)C1 1837527317 LFJGCLIUYNPXGI-LVZGSSTFSA-N 409.483 0.772 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839040087 RZKZFQWTDALHMR-CTNGQTDRSA-N 417.437 0.093 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1839173574 ZOKFAERAQYLONG-DYESRHJHSA-N 424.494 0.543 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839223081 LDDCJPCHILNRBP-LIRRHRJNSA-N 423.470 0.178 30 20 HCED COc1cc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c(F)c1 1839333045 LYQVBADTFZMXHJ-IBGZPJMESA-N 409.389 0.957 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncn4C)C3)C2)c1 1839451649 HRHDORFMABRDLP-JOCHJYFZSA-N 423.473 0.984 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1839762336 HLGDDYVMANJPPT-DYVFJYSZSA-N 400.497 0.104 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1839806683 WKBMMRHVRKYKAU-NRFANRHFSA-N 411.458 0.495 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840159950 RTZCSJAHUURMPL-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1840291694 AIPVEPIVQQONGG-FQEVSTJZSA-N 402.451 0.446 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1840292772 JQGAWBUBRYQKQK-NRFANRHFSA-N 400.479 0.669 30 20 HCED O=C(c1nc2c(=O)[nH]c3ccccc3n2n1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841541003 WGRKBGPGDOXJAB-UHFFFAOYSA-N 416.441 0.801 30 20 HCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196356 OPTVZZGNAPHUSZ-CYBMUJFWSA-N 401.394 0.235 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)cc([N+](=O)[O-])c1 1847262631 XVQLEIBEWFFSMJ-QCDWVSHVSA-N 414.418 0.974 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)c(Cl)c1 1848032389 SKIMWMRLOSADDJ-GJZGRUSLSA-N 415.837 0.579 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cn2cccn2)cc1 41736776 QSFWHFBXYDDRQY-AWEZNQCLSA-N 405.480 0.833 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 50169834 BJWGQAFPMHIHGJ-AWEZNQCLSA-N 401.467 0.564 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C(=O)N(C)C)nnc12 53110746 HYVAIVVMERKLPZ-LBPRGKRZSA-N 414.491 0.915 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(C(=O)NCc3ccco3)c2)CCO1 409585055 NYCQNLYTCYEJOL-QGZVFWFLSA-N 404.448 0.768 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)CCO1 409592830 FYJNPJDVMYHUMV-KRWDZBQOSA-N 401.448 0.893 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)c2cccnc2C#N)c1 428370545 AJVCEEUGFFWCIA-UHFFFAOYSA-N 415.435 0.767 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 429538599 JPZQAMKKKSWVCF-UHFFFAOYSA-N 408.871 1.410 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCN2CCC[C@H]2C(N)=O)cc1Br 433006306 GHCGUXUKTQEGPG-AWEZNQCLSA-N 415.313 0.939 30 20 HCED C=CCOC[C@@H](NC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OC 435143094 ZWIMAJHGTXCHRH-DGCLKSJQSA-N 408.480 0.922 30 20 HCED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 437076964 NXSSZBJLTAXJEH-UHFFFAOYSA-N 410.430 0.989 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@]34CCOC4)CC2)cc1 441495079 DLCNROUPRMQADR-FQEVSTJZSA-N 419.503 0.977 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OC 443198113 BKCDNSWGJXNBAC-LBPRGKRZSA-N 421.269 0.571 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1OC(F)(F)F 443340643 ARPYVERSYDLOMF-JTQLQIEISA-N 411.296 0.158 30 20 HCED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](C)CO 443810246 APEKWVRXJUASDD-NEPJUHHUSA-N 405.842 0.926 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(OC)CCOC2)cc1 461791261 TYGAZFABDIPDPZ-SFHVURJKSA-N 411.480 0.353 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-c4ncon4)cc3)CC2)c1C#N 472847301 IRAADAFHZKGWJH-UHFFFAOYSA-N 420.433 0.938 30 20 HCED N#C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475195851 IFIOFKRZOBVKFJ-DYVFJYSZSA-N 420.491 0.891 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CC(O)(CC#N)C2)cc1 476814071 CKNJQJLIBXXHQA-QGZVFWFLSA-N 405.476 0.919 30 20 HCED COCCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 477627160 ONTYKFAKAWQOHH-FQEVSTJZSA-N 413.522 0.450 30 20 HCED CCCN(CC#N)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 479140208 VIDHTUJDASXKLJ-UHFFFAOYSA-N 401.510 0.940 30 20 HCED COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479309332 IJXVCPVMFJBYGL-GDBMZVCRSA-N 409.464 0.671 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)n1 479400065 QDHQIAKAPFQEFG-UHFFFAOYSA-N 400.504 0.997 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 488608738 OJUYGJVOINJAQT-GOSISDBHSA-N 419.441 0.774 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O 499990512 OYOUUTBYKKFBOW-FQEVSTJZSA-N 412.534 0.984 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 502236153 XGIAEEIDBCQOIM-OALUTQOASA-N 411.506 0.718 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H](Cn4ccnn4)C3)n2)cc1 503087322 KQHUMTDVPVPPTE-QGZVFWFLSA-N 419.449 0.667 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 506574062 AOZRJVOQRIGWDB-OAHLLOKOSA-N 410.438 0.555 30 20 HCED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508813858 QWCYVCAYDQJFSV-UHFFFAOYSA-N 404.438 0.338 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)cc1 509882976 DTTFUEATIROSQM-SFHVURJKSA-N 406.508 0.589 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3O)CC2)cc1 512415235 KSFKJJUTORJKAF-UHFFFAOYSA-N 417.403 0.714 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCCO1 515330998 LZGJXAHOBYSHIR-SJLPKXTDSA-N 404.442 0.656 30 20 HCED Cc1ccc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1S(=O)(=O)NCC#N 517818275 ZJQDHBSFYNWOAM-ZDUSSCGKSA-N 404.448 0.825 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1C 524281260 NTVGKIJNNSTBHU-UHFFFAOYSA-N 413.499 0.830 30 20 HCED COCCCN(C(=O)C(=O)Nc1ccc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1 526095606 YQMTVXLBLXWVCH-AWEZNQCLSA-N 409.464 0.558 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cscn2)c1=O 527030508 VJXZGBGEGGBNKQ-CYBMUJFWSA-N 419.528 0.902 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)n(CCC#N)n1 532599290 WMNVTFBYKJXLAT-UHFFFAOYSA-N 415.498 0.200 30 20 HCED C=CCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 533065413 LVYCYSASUGBOGC-HNNXBMFYSA-N 402.538 0.991 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 538166789 DKKCEADSIPAKNG-CQSZACIVSA-N 405.451 0.407 30 20 HCED COCCOc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548042750 FYPKXGATCQSWJO-UHFFFAOYSA-N 407.452 0.944 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H](OCCO)C3)n2)c(F)c1 548742876 FAAMJHHYMRWEJO-AWEZNQCLSA-N 401.398 0.821 30 20 HCED C=C(C)Cn1c(CCCC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549273275 ACSITCIXEDCTQX-UHFFFAOYSA-N 402.503 0.663 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)CC2)n1 553124808 ZMYAASWUDKQHMY-UHFFFAOYSA-N 421.383 0.677 30 20 HCED C[C@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 559967223 CSTDTLVCBAUDOD-CQSZACIVSA-N 423.433 0.856 30 20 HCED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 571097113 XVPIVZPOIKYXBW-OAHLLOKOSA-N 411.466 0.647 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573024987 QZFMFFCVNAYKJH-UONOGXRCSA-N 409.450 0.841 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)nn1 574931916 QUAJWZXQSDOTBU-QGZVFWFLSA-N 408.462 1.439 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1 578370518 IKZZKTPTBNNFQQ-INIZCTEOSA-N 400.526 0.639 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cc(O)cc(C#N)c2)c1 589180077 UWSFBNAVTWJEEH-LLVKDONJSA-N 402.432 0.929 30 20 HCED COc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1[C@]1(C)NC(=O)NC1=O 609334625 YMHOSEMKGMTYGM-SFHVURJKSA-N 421.479 0.016 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)cn1 609815911 FGCDVDJNBHXWHV-IEBWSBKVSA-N 407.478 0.945 30 20 HCED CS(=O)(=O)NCc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)o1 610653477 YQDUPAGAEHWURK-UHFFFAOYSA-N 403.464 0.994 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cn2)cc1 611248987 IWFLBYYPPOYNLY-UHFFFAOYSA-N 409.402 0.347 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)[C@H]1CCS(=O)(=O)C1 685799808 LXKOADBNAUSAPY-HNNXBMFYSA-N 414.505 0.369 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 728530395 CGJMHWUITYESME-UHFFFAOYSA-N 422.279 0.728 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)NC[C@@H]3CCCO3)C2=O)cc1 733830029 DXKQURJNWKHDRC-HOTGVXAUSA-N 414.418 0.602 30 20 HCED C#CCCN1CCC(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 740736905 RCDVZLMTAKITAJ-UHFFFAOYSA-N 422.551 0.483 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1 742192797 ITGHCUYNOVBFHU-CQSZACIVSA-N 406.533 0.847 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 745151015 BVBDTFXBGXSFLG-LBPRGKRZSA-N 404.510 0.989 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)c(C)c2)CC1 749665543 FOLXHAGUFKGQMY-UHFFFAOYSA-N 401.467 0.338 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)NC)s2)c1 749669481 BPXLXTSTISINIB-UHFFFAOYSA-N 407.473 0.923 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 756897235 WDMFFJHIBANRBE-KBPBESRZSA-N 400.501 0.533 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cccc(OC(F)F)c2)c1=O 758058925 OGYJHXZVGHNNHR-UHFFFAOYSA-N 415.421 0.950 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCCc1ccc(F)cc1 769153940 ICTJRNBIRVGELQ-UHFFFAOYSA-N 419.434 0.878 30 20 HCED C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 770798947 BHVBJNZZSHXNSW-SGSSJMGGSA-N 422.507 0.881 30 20 HCED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cc1F 771171602 SZWFUKXLYRDUGU-UHFFFAOYSA-N 413.456 0.854 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)C2CC2)CC1(C)C)c1cc[nH]n1 772531987 NTDLPCMGTNKPDZ-UHFFFAOYSA-N 405.455 0.553 30 20 HCED C#C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H]1CCCO1 773553656 BDXNPUGKVDJILJ-SQNIBIBYSA-N 414.510 0.762 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1)[C@H]1CCCO1 773787780 MTESJKCQTRENTP-RRQGHBQHSA-N 415.446 0.604 30 20 HCED CN(C)c1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2n1 774083119 JPCPDEZAYFEEBQ-OAHLLOKOSA-N 400.460 0.880 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@H]1CCCO1 775801735 YRRSTTMKFXYFEG-RZQQEMMASA-N 400.435 0.264 30 20 HCED COCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(N)=O 775986518 LZTYXTWKLFRAKQ-MYVXHDQYSA-N 411.484 0.511 30 20 HCED CC(C)N(CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)OC(C)(C)C 777312376 AQNILMMMXZKYQO-CQSZACIVSA-N 415.512 0.988 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)c(F)c3)cnc21 786572652 XOXKQHIKGSKGKW-GFCCVEGCSA-N 413.340 0.951 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OC)n3)c2=O)c1 790426696 YWPASLPRRMDOKR-UHFFFAOYSA-N 416.462 0.533 30 20 HCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cnccc1C#N 805716073 JURCGOOPANHFNY-LLVKDONJSA-N 400.416 0.735 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 807349485 HWGNHAAHSWHYRW-WMLDXEAASA-N 407.492 0.861 30 20 HCED CC(C)(C)OC(=O)NC[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CCO1 808748600 VJOZRKJEYZRHRO-HNNXBMFYSA-N 410.496 0.952 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCO1 808778448 XRCYHKVZSCKUKN-MOPGFXCFSA-N 418.925 0.875 30 20 HCED C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)S1(=O)=O 813136544 DLDIAEZCEZONOB-RFQIPJPRSA-N 400.501 0.962 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)c1 813981367 MZNVPLNDSVTLRK-VNHYZAJKSA-N 409.493 0.484 30 20 HCED C=CCC(F)(F)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 815315188 WKIHNHJZEGEOBR-UHFFFAOYSA-N 421.422 0.879 30 20 HCED C#CCN(C)CCCNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 818593155 NXMROGKSDBZJFH-NRFANRHFSA-N 400.479 0.842 30 20 HCED CC(=O)N1CCC[C@H](C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 915381772 CHIRUFQTXCENCS-HNNXBMFYSA-N 403.439 0.305 30 20 HCED CC(=NNc1ncnc2[nH]cnc12)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 917554930 MFRTYCYXSSAKCS-UHFFFAOYSA-N 403.424 0.942 30 20 HCED CCN1CCN(CC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C(=O)C1=O 919147312 LTTMZFJTOFBZFO-RDYUPDBUSA-N 406.483 0.540 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919318678 NYMCETVVZJODBV-CQSZACIVSA-N 421.475 0.095 30 20 HCED C=CCCn1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCO2)nn1 944612730 ZNUBODZAZSNRKX-GZHKEPGYSA-N 401.467 0.235 30 20 HCED C#CCOc1ncccc1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 960694057 QCMGHCBQAKRTEA-BHNCTZQBSA-N 423.469 0.569 30 20 HCED Cc1ccc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1116767088 UCDYZHHXRWWPQU-LBPRGKRZSA-N 422.488 0.712 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCn2c(nnc2C2CCCC2)C1)c1cc[nH]n1 1116812960 MSLRPFKHJKTHSR-UHFFFAOYSA-N 415.454 0.985 30 20 HCED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cccc(F)c1 1205419694 URPNSNRITZWXNO-BHQCHZOVSA-N 412.465 0.773 30 20 HCED C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1301975568 VPDAGOSPPQGTAO-RDTXWAMCSA-N 404.496 0.409 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)C1 1316531737 KMUVPMWZFUXMHO-KSSFIOAISA-N 424.502 0.810 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)CC1CCOCC1 1321194964 TVCKKLKBQHPMPM-WMLDXEAASA-N 409.508 0.766 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1340432882 WKYQMOKDRKEFKX-AKDSAVJFSA-N 403.391 0.188 30 20 HCED C[C@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1545121777 XDQFQWYVOMVOOP-KXBFYZLASA-N 405.478 0.677 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC[C@@H]2Cc3ccccc3O2)c1=O 1613804735 SGIFZCPCTGXAFB-IBGZPJMESA-N 408.458 0.672 30 20 HCED CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1630427210 KXZDDKDLVFMVSD-DJJJIMSYSA-N 403.439 0.726 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2=O)cc1 1671576509 LWOZFUCQNNSKCW-HOCLYGCPSA-N 405.480 0.374 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCC2 1706864913 RXLNBURKBGQWBT-LBPRGKRZSA-N 419.515 0.214 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCCC1 1706871333 OFMDWKFVPDOAKX-RHSMWYFYSA-N 413.523 0.816 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)CCO1 1712884938 WBLGUDRCYDJNLP-HOTGVXAUSA-N 415.498 0.797 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1748294177 IQCNXGYUHDCIMW-MRXNPFEDSA-N 416.511 0.066 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760933105 BPOKJNJUJXJVFW-DOTOQJQBSA-N 421.571 0.860 30 20 HCED COC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779067170 PXQIXQIJRCRFML-OAQYLSRUSA-N 418.490 0.468 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)C1)C2 1779339373 IZJISBJQDFSEDX-GXYOHSSGSA-N 407.511 0.210 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780030706 ZODHRXJFNATNFR-BTYIYWSLSA-N 417.462 0.827 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780433074 JLVNWZRFQHGLBD-MGPUTAFESA-N 406.483 0.445 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnnn1C)C2 1780802185 GIDNTHMRYLUBLU-ZSZQSSIHSA-N 406.487 0.744 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1781269911 VLACFOZSYCRVAT-NRFANRHFSA-N 422.478 0.835 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)Cn4nccn4)C3)C2)c(C#N)c1 1781420174 AWPNNEPYXVZCNV-OAQYLSRUSA-N 424.461 0.231 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]nc3ccncc13)C2 1782010068 JFEMVFUAUXMFTP-FOIQADDNSA-N 411.418 0.173 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C1(c3cccc(F)c3)CC1)CCO2 1783558581 ZZNNLIOGFGPCSF-FQEVSTJZSA-N 400.406 0.775 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1783567306 UKXYITJKEGBEBV-FQEVSTJZSA-N 409.402 0.003 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3cccs3)on1)CCO2 1783567314 UMBCRIAFFWNILG-IBGZPJMESA-N 415.427 0.935 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784131123 SHOODRSZSVTUTG-YWGRWDESSA-N 406.527 0.839 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nnc4ccccc43)C[C@@H]21 1784380465 HNNMJQVDEHVSEE-ZWOKBUDYSA-N 407.474 0.824 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H]5CCOC5)C4)C3)c2c1 1784721518 WKGAFQOXGODHDR-QVKFZJNVSA-N 409.446 0.915 30 20 HCED Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1787185477 CALOODLRCCSZNH-UYSVKRSASA-N 420.470 0.235 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1787516586 KTWUVXXBJSMFMI-UBDQQSCGSA-N 421.542 0.115 30 20 HCED CN1CCC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)C1 1788604101 PCPLWRJUTIEGOV-NSURFFKCSA-N 419.570 0.780 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1789766485 QUDKGWKEWUEVEA-RMMWZPCPSA-N 413.518 0.781 30 20 HCED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1790866356 AONHZPQQOMGKAA-OZOYJNDRSA-N 404.467 0.203 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nc(CO)[nH]c3c1)C2 1792631197 KEZLLAWKLITNJB-ZSBFGKGUSA-N 411.462 0.808 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 1792963933 FLRHACIOVXEYCU-LVZMMCSGSA-N 408.495 0.756 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3ncccc13)C2 1793346500 SFUOMZLZOPJJAE-GGXPGOJBSA-N 408.458 0.871 30 20 HCED O=C(C#CC1CC1)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(F)(F)C(F)(F)C(=O)O 1793728393 KOKWZZYVFGQPJS-PTEHBNRSSA-N 406.332 0.345 30 20 HCED CCc1[nH]nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1F 1794513652 YOWBVZFOGCCEHB-UCCGRKOPSA-N 420.489 0.786 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncnc1 1795804069 DIRKLHDOOZOPAE-RMFSNUHRSA-N 402.495 0.982 30 20 HCED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1795979161 YEMNFRJRJQXFEU-CCWDJLKJSA-N 412.425 0.570 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1occc1Br 1796546319 VFRKLNQHJMOHFN-WDAIWFPHSA-N 411.208 0.333 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cn[nH]c3)c2c1 1796573341 RUPVJGSKABPLLZ-XOIINTDNSA-N 405.418 0.675 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796778410 BILRZVFBEBOBOS-QRJUGERDSA-N 409.531 0.380 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1nc(N)n[nH]1)C(F)(F)F 1797628069 NFHFEIZPKCCCHF-DDFAGTSDSA-N 402.377 0.028 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CCSC)C2 1797710583 VZDZCHQDVFKAPI-DGADGQDISA-N 400.541 0.263 30 20 HCED COCc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)c1 1797741132 DQMLEXPXYKNSKY-POHRNKHUSA-N 417.510 0.836 30 20 HCED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)nc1 1797742154 HEZOFQYRZMZYFW-KXJCPHRKSA-N 415.494 0.765 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(=O)Nc1cccnc1 1798563675 PQFXFXLRBHRAJQ-WZEOQFAXSA-N 411.462 0.517 30 20 HCED CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798924141 UKTVOHNQOAZTAW-MHORFTMASA-N 403.504 0.875 30 20 HCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncccn2)C3)c(C#N)c1 1799237481 MQHVKDDSIVZYPE-XEMDLRDOSA-N 421.457 0.803 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCN(C)C2 1800131181 TXKDGYLBCSKVKG-VWPFQQQWSA-N 407.540 0.240 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]31)C2 1800455693 NAAJKRBCOWDNDG-XAOPTGTMSA-N 403.479 0.322 30 20 HCED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CN2C(=O)C=CC2=O)C3)cc1 1800545164 LMXCAZUBCIMRGH-BCDXTJNWSA-N 406.442 0.929 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC=CC[C@@H]1C(=O)OC 1800955057 ZPLCGINPPGEXMO-VLUPQCQJSA-N 418.490 0.370 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)[C@H]2C[C@@H](O)C2)[C@H]1c1cccnc1 1802482251 LDRCNBOZCJWKEB-WZNNQCHYSA-N 412.490 0.717 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)C1 1806029607 OGSRLLVSLAJJJO-HNNXBMFYSA-N 409.483 0.352 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)c1 1807705438 NHGLSNVUGRLUSC-DFEOGRTESA-N 408.462 0.324 30 20 HCED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4cc(=O)n5[nH]cnc5n4)sc3C2)CC1 1815328190 KOLCVIOIPCSGEE-SECBINFHSA-N 424.446 0.404 30 20 HCED COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053428 RNRJTHISMFCXJZ-LJQANCHMSA-N 403.439 0.105 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)ccc3O)C2)C1 1831396206 BFQYKKATDPJIIT-HTAPYJJXSA-N 416.474 0.809 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1831397501 ZJSODBDQBQTBFL-HRAATJIYSA-N 418.494 0.091 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1831419538 NOMLGQJQSBLQCY-UTKZUKDTSA-N 420.510 0.319 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831426156 JTZUFRVVBHODMH-OGTJOQQYSA-N 422.526 0.506 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1831497306 BRDSJZKXFTXQIL-VQIMIIECSA-N 400.541 0.702 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc[n+]([O-])c3)CCO2)C1 1833278731 RVNXOTVMPMTYFL-SFHVURJKSA-N 411.405 0.601 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833781892 IINROCPCKUCBIU-LIRRHRJNSA-N 422.869 0.238 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)Cn3nnc4ccccc43)CC2)CC1 1834396105 MDHAEABQDRQOCN-UHFFFAOYSA-N 409.494 0.917 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1N(C)C 1834765969 OZWGIQLJAYHGGT-OAQYLSRUSA-N 416.478 0.745 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c[nH]c5cnccc45)C3)C2)CC1 1835344420 COSVYEPWNQZREH-OAQYLSRUSA-N 409.446 0.937 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCCC4)CCO3)C2)CCC1 1835380485 MCMAZTRYZSNKQV-OAQYLSRUSA-N 404.511 0.623 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3ncon3)CC2)CC1 1836043783 BZOFMXRJPQXTBO-ARJAWSKDSA-N 416.482 0.113 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168920 QULRIJKWDRHGFF-AWEZNQCLSA-N 414.510 0.583 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836869383 OMJYDYSXXBEAKX-OAHLLOKOSA-N 418.494 0.973 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837243427 HOYCIFYTHFOMON-FZBPCLLLSA-N 400.541 0.814 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1837440627 QHBGUAZRHCTAPQ-TTYLXTBDSA-N 422.551 0.935 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837524535 CHWCZNUYZIFGGP-QEPGBGQSSA-N 419.478 0.385 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837559838 ASSBWSLSZUSKCH-JGYVSQDVSA-N 419.478 0.724 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1837737302 YUAXAMBXKURPHW-ZWKOTPCHSA-N 421.538 0.837 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837737753 FNNXVOMVGSWPPK-IERDGZPVSA-N 415.494 0.888 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1838682962 ZYAQGMHFTGPXCW-OAQYLSRUSA-N 409.446 0.974 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1839222620 TWUVTTFQOJIOAX-GQIGUUNPSA-N 413.515 0.651 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1839224811 PJCCHISURHPZBZ-HNAYVOBHSA-N 424.523 0.943 30 20 HCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)COC1 1839777455 RNZDBBQQNYGNKN-LWOHLBADSA-N 419.478 0.582 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Br)cc3C)C2)C1 1839806594 FTINEMKUTWTYQL-GOSISDBHSA-N 422.279 0.856 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(=O)C4CC4)cc3)C2)C1 1839809191 HOPHJJNXTIZCMG-QFIPXVFZSA-N 411.458 0.738 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1840159988 TUKJBMUXYODXPI-OXQOHEQNSA-N 408.520 0.978 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840160107 WZMGFUOPHJNDFN-DYVFJYSZSA-N 412.537 0.343 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1840164304 FKVHECYRFWJOPD-KUHUBIRLSA-N 412.483 0.979 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1F 1840702302 KUXMIFRURMHOCU-FQEVSTJZSA-N 422.384 0.431 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nc5ncccc45)C3)C2)CCC1 1840813745 STXKFTLXGBSXNH-NRFANRHFSA-N 424.461 0.722 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840851733 QPGGKMGUAJMVEK-OXQOHEQNSA-N 408.499 0.297 30 20 HCED O=C1NCCn2nc(C(=O)N3CCCC34CN(C(=O)C#Cc3ccccc3)C4)cc21 1842562908 BFFPMIOYYSDSPD-UHFFFAOYSA-N 403.442 0.495 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299338 PKBYRFKQDZDPIR-QNVQTRSSSA-N 415.512 0.400 30 20 HCED C=CCC(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1846376353 KHMMTIHVTUUNBD-UHFFFAOYSA-N 410.478 0.959 30 20 HCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)ccc1Br 1847109019 UDDRIEUOOLYFSA-UHFFFAOYSA-N 420.267 0.806 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 7767866 OSKBJSCBWRTJHP-CQSZACIVSA-N 423.491 0.387 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2ncccn2)CC1 8069688 RGORKEULTWJKEG-UHFFFAOYSA-N 403.489 0.973 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCN2CCOCC2)CC1 42950172 HDPSHXALHXDCGZ-UHFFFAOYSA-N 400.439 0.970 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C(N)=O)s3)CC2)cc1 116418253 TXGUFPHEEPKHDX-UHFFFAOYSA-N 404.473 0.865 30 20 HCED CCN(CCC#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 409508369 MOWXFWVLORKGHH-UHFFFAOYSA-N 402.498 0.138 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 428981074 WOEPYJUOYDXGAC-MRXNPFEDSA-N 422.511 0.185 30 20 HCED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 429872114 NHJCPDAJRVLQEY-UHFFFAOYSA-N 409.450 0.842 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 443517502 QBOKXFLSIIJVOZ-GFCCVEGCSA-N 403.420 0.754 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 462480948 PSTBKHHSNOKVKF-UHFFFAOYSA-N 403.464 0.434 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 466813049 OASWGLNFASSAPV-QGZVFWFLSA-N 401.511 0.969 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 469281072 SRKLIJRVOZEXHD-NSHDSACASA-N 410.477 0.891 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 472966398 SPDMQBUBIDVXCM-XOBRGWDASA-N 403.435 0.928 30 20 HCED Cc1ccc([C@@H](CNC(=O)c2cnn(C)c2C#N)NC(=O)c2cnn(C)c2C#N)o1 476477920 VSBXFFATVQCGQN-CQSZACIVSA-N 406.406 0.699 30 20 HCED Cn1cc(I)c(=O)n(CC(=O)Nc2ccc(CC#N)cc2)c1=O 478089751 XPOZDRMSNXXRIM-UHFFFAOYSA-N 424.198 0.856 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cccc(C#N)c2)cc1 490865273 UWLLLIKNJQGARW-UHFFFAOYSA-N 416.459 0.738 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1C#N 499474166 UNEHYOGQBPRMSC-UHFFFAOYSA-N 424.486 0.648 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)n1 508332094 LQWMLOYBJBFBNO-UHFFFAOYSA-N 416.804 0.942 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 509722579 ACSHYBZQNWGMHY-INIZCTEOSA-N 408.480 0.126 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3ccccc3S(N)(=O)=O)CC2)c1C#N 513690247 XETHNMYVBXZGBL-UHFFFAOYSA-N 417.495 0.279 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 513982554 FLHBQYNJLZNYLN-BFUOFWGJSA-N 417.491 0.465 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1O 514637917 WIMIADGHIODMBU-UHFFFAOYSA-N 424.460 0.089 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccc(F)c(F)c3)CC2)c1C#N 519658208 IYKVWLMWINPBOG-UHFFFAOYSA-N 416.432 0.886 30 20 HCED COCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCS(=O)(=O)C1 524679799 YEHYZXRNPPLBCG-INIZCTEOSA-N 403.464 0.602 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 525793791 MKRKVUWNPOWAMQ-UHFFFAOYSA-N 406.508 0.832 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 536085552 CGYUCRGBBKCPLN-MRXNPFEDSA-N 412.515 0.903 30 20 HCED COCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1=O 539490770 KQSFJNYJGREAOB-IBGZPJMESA-N 417.485 0.325 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 540401896 CPNXRNWNXJTTMF-APWZRJJASA-N 421.567 0.938 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542989754 SDEOYZVLEIGEJJ-NSHDSACASA-N 417.426 0.922 30 20 HCED N#CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 544254474 OHQNBDMBBJOHPX-UHFFFAOYSA-N 410.471 0.859 30 20 HCED CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546910106 GSIKEXMLIYLECK-UHFFFAOYSA-N 406.446 0.877 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCSC1 551210047 SHLVANIVVXQKKL-IBGZPJMESA-N 402.524 0.155 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)C2=O)cc1 558048080 VYBRDFHRNCLTLP-QYZOEREBSA-N 410.474 0.849 30 20 HCED C=CCN(CC=C)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 559433583 BBQKGWYFCJYWMS-UHFFFAOYSA-N 407.492 0.524 30 20 HCED CC(C)(CO)CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 559654351 QOMIEDGSYDXKJK-KRWDZBQOSA-N 400.479 0.690 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)CC1 560919125 ZIOPYHHLCMEQQV-UHFFFAOYSA-N 414.554 0.477 30 20 HCED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2C#N)cc1[N+](=O)[O-] 562912837 XFDQAKKEKBWQLL-GFCCVEGCSA-N 411.440 0.444 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1S(N)(=O)=O 566388012 NSMFDWXIBIDDKU-LBPRGKRZSA-N 422.488 0.189 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 566527415 WLMFOMHJQKRHLS-MRXNPFEDSA-N 419.507 0.224 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCOc2ccccc2C)CC1 567934895 RTPZWDKTCSLVIH-UHFFFAOYSA-N 402.495 0.327 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCC(=O)NCc2ccccc2)cc1 570438956 MKCBDJXETJMFLZ-UHFFFAOYSA-N 400.460 0.659 30 20 HCED CC(C)C[C@H](CO)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572074439 WOCDEIFLRSHDKY-MSOLQXFVSA-N 400.479 0.641 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 577423922 AYPRMCVJELUBQM-LBPRGKRZSA-N 401.460 0.894 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 577556958 PRUHJSJTYLSFQL-YTQUADARSA-N 418.519 0.942 30 20 HCED COc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cccc1C(N)=O 580670931 JLUJPLCMOKOZHU-LLVKDONJSA-N 402.432 0.971 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCc3ccc4c[nH]nc4c3)n2)cc1 585761082 YEIWMRPXUSLVBP-UHFFFAOYSA-N 414.429 1.372 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 589138849 IPLBBSVKAZGGRG-BEFAXECRSA-N 400.479 0.763 30 20 HCED CCN1CCN(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C(=O)C1=O 603869738 GHIHEXCXQQSOID-UHFFFAOYSA-N 423.477 0.066 30 20 HCED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 609200884 MHEOUQVOCGIVKI-GOSISDBHSA-N 417.477 0.890 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)nc1 610291955 GDYFVGDKKKPADW-OHDICMOHSA-N 409.446 0.201 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 615628844 DZACFRZTXIZHCC-KRWDZBQOSA-N 410.427 0.110 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731851363 TULXUCUVXWPPFT-FBMGVBCBSA-N 404.448 0.407 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742245188 FSFIZRWFKOCGOV-ZODGMFRMSA-N 409.442 0.616 30 20 HCED C[C@H](CC(=O)NCC(C)(C)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742479814 GUJDEPFQFGDWFN-CQSZACIVSA-N 408.524 0.731 30 20 HCED COc1ccc(C#N)cc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 747676433 WNEGYNHPRJFERH-MRXNPFEDSA-N 413.521 0.201 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)nc3)c2=O)c[nH]1 753360349 USBUKUILYAPDIE-UHFFFAOYSA-N 407.411 0.444 30 20 HCED C=CCN1C(=O)N(CCS(=O)(=O)N2CCOCC2)C(=O)[C@H]1Cc1ccccc1 761208077 ZUQFEBZXWIMZDG-QGZVFWFLSA-N 407.492 0.710 30 20 HCED C#CCN1CCN(S(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CC1 761510157 IURUQBNKMOHNSP-VOTSOKGWSA-N 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CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 1800599594 IGYZMVCXEKBWPF-LOUJCGABSA-N 417.466 0.981 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)n3cnnn3)CC2)C1 1804857942 SHARETBRVXHFNT-KJPDOMRESA-N 415.498 0.324 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806282503 NWIZZHOPVMECPZ-ZIFCJYIRSA-N 416.434 0.496 30 20 HCED CC(=O)N1CCN(CC(=O)NC[C@@H]2CCN(C(=O)CC#N)[C@@H]2c2cccnc2)CC1 1809668740 XISJSQKKUHVAKX-GHTZIAJQSA-N 412.494 0.165 30 20 HCED C#CCCC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1814101021 BVODZOLKEBOKHF-VGSWGCGISA-N 408.458 0.816 30 20 HCED NC(=O)NCC(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/N2CCCCC2)n[nH]1 1819396872 KLNJUNXBTGLIKI-FVUPAENESA-N 404.475 0.542 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822201959 ZVDLLQKEIXSWHO-AAEUAGOBSA-N 404.427 0.197 30 20 HCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(C)(=O)=O)CC2 1823079882 QJPGXFMVNYOTDJ-WDEREUQCSA-N 416.525 0.901 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826818212 WWCXMTVCZRURSL-SZMVWBNQSA-N 406.527 0.237 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829910316 DJBAGHPTVZLQQI-RXVVDRJESA-N 410.511 0.995 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1831411277 MBTHQSPGDQPHNK-NRFANRHFSA-N 419.478 0.840 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2 1831469593 FUFLVVYBSPGEME-IBGZPJMESA-N 413.540 0.277 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1831499920 YQKMGQQGFWWHFF-MJGOQNOKSA-N 424.523 0.266 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1832457529 RYKAPGADMIOPBX-IBGZPJMESA-N 424.523 0.418 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nc(C)cc4C)CCO3)C2)C1 1833034461 BUILYJZAIQKSTL-OAQYLSRUSA-N 402.495 0.923 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833472841 IKFHYCVCQDHVSO-SJORKVTESA-N 420.554 0.675 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833827427 FRULMUPQITYPFS-CRAIPNDOSA-N 410.496 0.207 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834124656 GAAHDNBQJFJCEH-HRAATJIYSA-N 417.462 0.199 30 20 HCED Cc1nnc(CC(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)o1 1834599481 CNUIPSSSPXDMLV-UHFFFAOYSA-N 400.483 0.796 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4n[nH]cc4c3)CC2)CC1 1834994379 JWTAVSBPISTXKO-UHFFFAOYSA-N 423.473 0.836 30 20 HCED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342748 OJAFJTVNCSGEHI-IERDGZPVSA-N 413.478 0.642 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC4CCOCC4)CCO3)C2)CCC1 1835425095 FNCHZSFVKYHLOM-OAQYLSRUSA-N 405.495 0.953 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)o1 1836021343 FTYNHJWJJLUISR-AEFFLSMTSA-N 412.512 0.331 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836074719 HSJYACKRYRDUJC-KRWDZBQOSA-N 414.409 0.588 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)C1 1836121606 KQQCXSCAZMRQSP-OAQYLSRUSA-N 417.462 0.432 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1837395120 PRUAUHDLGDVBKY-DYESRHJHSA-N 420.510 0.546 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1837395335 XLEVVOLJBUVTHR-UZLBHIALSA-N 406.483 0.063 30 20 HCED CC(C)(O)CC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442097 ORJFZFHLFGYRCW-TTYLXTBDSA-N 410.515 0.076 30 20 HCED CC(C)(C)NCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442254 USEKYIYWICIITA-VSIOZEBNSA-N 423.558 0.303 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837467341 GQJOCOBUAXRVBX-BEFAXECRSA-N 412.556 0.139 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccncc2O)CCO3)c1 1837819807 VJTKBONBLFQNJH-FQEVSTJZSA-N 411.418 0.371 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4[C@H]5C=CS[C@@H]54)C3)C2)c1 1838740825 WZAQJOLELUZGPV-DFYYWFRZSA-N 414.487 0.831 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccncc4)CCO3)C2)c1 1839060723 JADXVCPGPNYHPD-OAQYLSRUSA-N 409.446 0.594 30 20 HCED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186285 KPCZUBDTJZVSCF-BTYIYWSLSA-N 418.469 0.291 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839224573 MLVLMBCHBJHLIB-IFXJQAMLSA-N 423.470 0.178 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1)C(F)(F)F 1839894618 IJCVUPLGELQJPN-DYVFJYSZSA-N 419.400 0.088 30 20 HCED COc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c1F 1840159957 SAQKFHQDFNQDNC-XIKOKIGWSA-N 413.471 0.618 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1840168954 AKOSPGFQGVZMAK-OAQYLSRUSA-N 401.463 0.969 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)cc1 1840830423 OQBXTHQVTSURFW-QFIPXVFZSA-N 411.458 0.536 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)C3)C2)C1 1840840986 XDVBYUKKIYURAZ-XGHQBKJUSA-N 406.479 0.446 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NS(=O)(=O)CC)C1 1841582609 LJVPJACSACYPLO-KGLIPLIRSA-N 401.529 0.091 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1841747916 UVEXJCNDIDWTQQ-OAHLLOKOSA-N 418.498 0.951 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC3(CCCN3C(=O)CC#N)C2)cc1 1842621029 LOMRSSBVEKDDQN-HNNXBMFYSA-N 404.492 0.779 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1843407314 FXXKMQVYWBIDID-GXTWGEPZSA-N 422.507 0.502 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1)[C@@H]1SC(=N)NC1=O 1844795683 ORFDFJHEGZJPID-GWCFXTLKSA-N 400.464 0.506 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1845251966 YGVZPDPNARYNEH-OAHLLOKOSA-N 401.467 0.816 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 27104784 XXUDWTSDDBBKHH-CQSZACIVSA-N 412.450 0.652 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 28372574 GYIPIPKXGJEECW-ZDUSSCGKSA-N 405.455 0.180 30 20 HCED N#CCCN(Cc1cccnc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 63485109 HUKKZEAYJOVVAL-UHFFFAOYSA-N 403.464 0.987 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 111066137 HIBJLVFTEVCXMU-AWEZNQCLSA-N 423.491 0.488 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 149410075 JUQOLHUAGJNTFJ-OAHLLOKOSA-N 408.480 0.848 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)n1cnc(C#N)n1 409509291 PUYSXNKYBRIXAQ-GFCCVEGCSA-N 414.451 0.120 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 410145933 QPKQYQNNRVCTFW-PWSUYJOCSA-N 400.482 0.566 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 430391692 HEXHTMNFEXRTEI-HOCLYGCPSA-N 413.482 0.109 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1 431369812 NZVOJHLGNMYBRB-CQSZACIVSA-N 406.402 0.920 30 20 HCED COc1cc([C@@H](C#N)NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 434115150 ISSBFAQJWYFFBN-UONOGXRCSA-N 411.480 0.512 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 437484528 OMOKDSHGRFZWFM-KBXCAEBGSA-N 409.508 0.882 30 20 HCED Cc1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1S(=O)(=O)N(C)C 438757929 MPQHGUOSIKYHGR-UHFFFAOYSA-N 423.539 0.878 30 20 HCED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 439396490 MAZAZRTXFNSNTF-SFHVURJKSA-N 424.505 1.485 30 20 HCED N#CCC[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 439421822 LXNWJHNPQHAPID-GOSISDBHSA-N 424.461 0.842 30 20 HCED CC(C)c1nc([C@H]2COCCN2C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)no1 442436607 KPXLBYJBDTWLMD-CYBMUJFWSA-N 401.427 1.381 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 471233104 GSACAFSIUGGYCS-UHFFFAOYSA-N 403.439 0.611 30 20 HCED N#Cc1c(CCCNC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)nn(-c2ccccc2)c1N 471460309 TXOOSIVJFOVWCN-WMLDXEAASA-N 411.466 0.591 30 20 HCED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 480290346 KJXPUGGLEZRZJI-UHFFFAOYSA-N 417.539 0.839 30 20 HCED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2C(=O)C(=O)NC[C@@H]2C1 485423627 OIWBNSBZUASBOF-QWHCGFSZSA-N 415.519 0.858 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1 502870225 KFGUXFGFTRZXOI-CYBMUJFWSA-N 413.400 0.658 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2C[C@H](F)C[C@H]2C(N)=O)ccc1OCC(F)(F)F 505065389 OBJKFIAMODJBPI-KOLCDFICSA-N 402.304 0.862 30 20 HCED CN(Cc1ccccc1Br)C(=O)CCNC(=O)NCC(=O)NCC#N 511907922 DTOFJVKFZWEPTR-UHFFFAOYSA-N 410.272 0.737 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)c1 513893443 UDGRXPDKHFTXJT-UHFFFAOYSA-N 402.432 0.827 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 516404310 ULZSDECDGQNYPQ-UHFFFAOYSA-N 423.454 0.902 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCc1ccccn1 523858670 WSMOPAJFMGHGTP-UHFFFAOYSA-N 408.458 0.936 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)NC(C)(C)C 531545873 XSPKDPLYMYOKOZ-ZDUSSCGKSA-N 409.516 0.286 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(=O)(=O)NC)C2)cc1 532752592 DPDRHINSVNOOCY-OAHLLOKOSA-N 416.525 0.649 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 533045348 IDCNVONBBGKMOP-DZGCQCFKSA-N 412.487 0.969 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 541364420 VHIZWVNNCVOEOL-CYBMUJFWSA-N 411.480 0.804 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549263107 BWOKPRSNOOADMG-ZDUSSCGKSA-N 402.459 0.822 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)c1 550114575 HVUFTCQCWBXLAV-HARLHBKBSA-N 404.488 0.352 30 20 HCED N#Cc1cnn2cc(CNCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cnc12 550839741 DMQFJXVKKJVHFW-UHFFFAOYSA-N 401.408 0.577 30 20 HCED C=CCOC[C@H]1NC(=O)N(c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1=O 552776866 LUHDNMSXHXOSBH-MRXNPFEDSA-N 408.480 0.250 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CS(C)(=O)=O)CC1 554084926 WEESXQMMFROPPJ-ZDUSSCGKSA-N 413.521 0.508 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 555716158 MDHDNTOUMNSZQN-UHFFFAOYSA-N 407.478 0.841 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 560052261 DDDUUVUPIWHBNG-UHFFFAOYSA-N 413.459 0.644 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2OC(F)F)CC1 568421509 KJUVLQOXFIPOFS-UHFFFAOYSA-N 410.421 0.351 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 573049609 XJRDVBZWRICTEY-GFCCVEGCSA-N 404.452 0.359 30 20 HCED Cc1cccc([C@@H]2C(=O)NCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 577746957 MSXOOVNTJCRZFT-HXUWFJFHSA-N 422.489 0.985 30 20 HCED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 578473965 QSTDFYKMGINOEO-UHFFFAOYSA-N 406.493 0.345 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCc3cn(CCOC)nc32)C1=O 582089462 GNQGVEQNIYBGJN-HOTGVXAUSA-N 403.483 0.268 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1cccc(C#N)c1 587741193 PVTLQGJRRHPXAX-RHSMWYFYSA-N 404.492 0.762 30 20 HCED CN1CCC[C@@H](N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)C1 589422128 SIFYSXHUIXYSBB-QGZVFWFLSA-N 405.524 0.075 30 20 HCED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 609943375 LKFMUQCRGRTLQQ-IBGZPJMESA-N 422.441 0.983 30 20 HCED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccn1 610810017 AVLBYGGNJDJBSU-WBMJQRKESA-N 402.432 0.651 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2COC(C)C)CC1 728571154 WTOLOMYSQZNXGO-UHFFFAOYSA-N 400.523 0.595 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(OCCCC)cc2)CC1 728608621 KWKHSASWTUUDHI-UHFFFAOYSA-N 414.506 0.489 30 20 HCED C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)nc1 728804746 NKZSALIWOQMABU-HNNXBMFYSA-N 419.484 0.781 30 20 HCED COc1ccc(CNC(=O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732456351 OPCSCWSPPTUFGR-ISLYRVAYSA-N 401.423 0.137 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)c1 732564750 RRRLELJGFONDLM-LJQANCHMSA-N 418.563 0.839 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)ccc1Oc1cccnc1 732797502 QBHJMCCWFOWBGY-UHFFFAOYSA-N 417.450 0.917 30 20 HCED CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741100314 QVZNYAXSHDFBFL-JJTVEENBSA-N 410.496 0.571 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 745028763 KUVICZIHKRQGIJ-QWRGUYRKSA-N 408.367 0.736 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 745434350 XWSVOFVQKCFQRZ-LJQANCHMSA-N 421.475 0.514 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754610439 AKCPQQKNRDSNGZ-CJNGLKHVSA-N 400.435 0.770 30 20 HCED C#CCN1CCC[C@H]1COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 756551597 OLFAHYOUYFEBOS-KRWDZBQOSA-N 408.524 0.770 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OCCOC)c2)c1=O 758039952 FEFSZKIUPLJRKJ-UHFFFAOYSA-N 423.494 0.350 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn(C)c2)c1=O 758050856 USUAAHYIJNDWFE-UHFFFAOYSA-N 403.467 0.727 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(COC)c2)c1=O 758079931 WHGFLKICWUDSHK-UHFFFAOYSA-N 423.494 0.051 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(CC)c2)c1=O 758085666 ZUESWBPHMJKDLQ-UHFFFAOYSA-N 403.467 0.901 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 765156424 TVKFNJSVUFTKBO-UWVGGRQHSA-N 416.481 0.967 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2ccccc2)cc1 769642870 GSAKFNMCWDBHGT-UHFFFAOYSA-N 401.400 0.336 30 20 HCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCO1 769666700 GXVTYSRQELQGEF-KBPBESRZSA-N 423.491 0.732 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(COc3cccc(C(C)=O)c3)on2)CC1 770736834 UNFULXPJSHBKEC-UHFFFAOYSA-N 424.457 0.963 30 20 HCED CN(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)C1=NS(=O)(=O)c2ccccc21 771080838 RURPMCLULFZSNR-UHFFFAOYSA-N 410.477 0.207 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1 773413134 GJRFYWQTUCRZKU-SFHVURJKSA-N 405.520 0.925 30 20 HCED C[C@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 774776061 TYKYVZHAFLZVOT-JSGCOSHPSA-N 411.528 0.963 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)nn1CCC#N 785265826 NQLSYRMQCFXUQA-HUUCEWRRSA-N 401.423 0.988 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccccc1C#N 786370608 YZGZTQRVEOSRIM-JDJRSUBASA-N 411.414 0.981 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c[nH]1 786904460 GUPCMMBEXKZULD-GOSISDBHSA-N 424.413 0.554 30 20 HCED C=C(Br)CNC(=O)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 787063963 ADINTAIRLNNCFZ-LBPRGKRZSA-N 413.194 0.701 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C(=O)c2ccsc2)CC1 787758793 KTYLYKHLBJWFTE-UHFFFAOYSA-N 412.475 0.527 30 20 HCED CCO[C@@H]1C[C@](O)(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1(C)C 789881706 GTZHCYNNDCTFDA-BEFAXECRSA-N 409.508 0.798 30 20 HCED CC(C)N1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 795326163 ZIMLYGRUWATHRQ-UHFFFAOYSA-N 422.507 0.369 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)CC1 796685687 WSEVALMMSPRLMK-QGZVFWFLSA-N 422.526 0.248 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)C(=O)NCCF)C1=O 799863138 PQCIRJMXMLKHSV-GXFFZTMASA-N 423.470 0.327 30 20 HCED C=CCN(CC=C)C(=O)C(=O)NCCNc1ncnc2c1c(Br)nn2C 804850456 IUONDPIBPKMOMD-UHFFFAOYSA-N 422.287 0.855 30 20 HCED CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)NCCn3cnc(C#N)n3)C2)CC1 805823486 IGAHCCOIQQSDHU-HNNXBMFYSA-N 418.502 0.486 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1 809309305 FEYNSTNFSIRDNB-SJORKVTESA-N 407.492 0.029 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)C(=O)N3CCN(c4ccccc4)CC3)nc12 812691248 RRHCOOVIAPRGGO-UHFFFAOYSA-N 406.402 0.699 30 20 HCED CC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813983674 DYPDLLSJWCTXQE-UHFFFAOYSA-N 405.436 0.259 30 20 HCED COc1ccccc1N1C[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1=O 813984480 WCGONGGYKWNZNO-ZDUSSCGKSA-N 400.416 0.820 30 20 HCED O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@H]1CCCN(O)C1=O 820482812 SBTJLXZUBVXCHN-INIZCTEOSA-N 410.496 0.915 30 20 HCED CN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918241791 NJRRTJVRMQQIQB-OQKWZONESA-N 421.523 0.648 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cc(C(N)=O)cn1C 1004596450 KEWMRKMDIQEAEF-JLOCXQCDSA-N 400.479 0.967 30 20 HCED CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1301818821 ONTXRZCVGBLENB-KNQAVFIVSA-N 423.521 0.988 30 20 HCED Cn1ccnc1[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(F)c1 1311489784 KFZHYHAVPZKATH-HNNXBMFYSA-N 411.397 0.782 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCOC2=O)cc1 1316532014 YSYYIBBQYZLSCV-INIZCTEOSA-N 409.450 0.971 30 20 HCED NC(=O)N1CCC[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1323277282 IRGXCWYOCCDLFT-ZDUSSCGKSA-N 407.496 0.412 30 20 HCED C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)n1 1335921514 SVCPUMXFXICABX-OAHLLOKOSA-N 404.492 0.838 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](OC(=O)N(C)C)C1 1449856667 SAGRWADFGLBXIJ-ZFWWWQNUSA-N 408.480 0.914 30 20 HCED COC(=O)[C@](C)(O)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1466726282 WJSMQLHCNNQTGP-SCLBCKFNSA-N 411.480 0.180 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)O[C@@H]3CCCS(=O)(=O)C3)C2=O)cc1 1524688948 MDTOFPBWUILLNQ-HUUCEWRRSA-N 405.432 0.884 30 20 HCED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCN(C)C2)cc1 1542483315 PFASNEQBEMNRAZ-GHTZIAJQSA-N 412.494 0.961 30 20 HCED CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc(Br)c1C#N 1593768973 VRHGYDKJZDEDEQ-ZDUSSCGKSA-N 406.240 0.896 30 20 HCED N#Cc1cn(CC(=O)N2CC(O)(c3cccc(Br)c3)C2)c(=O)nc1O 1635405037 XNHNRVDULCYDEG-UHFFFAOYSA-N 405.208 0.313 30 20 HCED N#Cc1cccc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 1671229090 YJONWSUUQGRZIC-UHFFFAOYSA-N 415.431 0.919 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705747371 LJSIBYNZXOMGFK-GHMZBOCLSA-N 411.937 0.264 30 20 HCED CCN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1709943140 PTJOSMIGMMNPCM-MRXNPFEDSA-N 416.507 0.966 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1=O 1748063062 MYSOUSMTXNAYOI-UHFFFAOYSA-N 407.438 0.299 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1749865098 TZMYNZCTUIZYTN-VCBZYWHSSA-N 406.462 0.719 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1767827915 QRAMESKWCXHGRS-UHFFFAOYSA-N 417.495 0.323 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1769841770 OKEOQLRMFAGQOD-SFHVURJKSA-N 423.495 0.763 30 20 HCED O=C(O)CSCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020582 QUHOLTFCOBBCPY-HRYJJRBTSA-N 412.512 0.106 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1779324103 RATUXQGBVOHMJI-FVJLSDCUSA-N 400.479 0.750 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3oc(C)nc3C)C2)C1 1779582979 PCNIAZKQOXAARA-KKHYBRAUSA-N 402.451 0.593 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c1 1780169259 PQPDJULEACIXBF-IBGZPJMESA-N 421.475 0.055 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1780174929 CZAGAVFDKHOHHJ-OAQYLSRUSA-N 424.461 0.692 30 20 HCED 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20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1840842097 NAFNDDARYMMJCJ-FQEVSTJZSA-N 404.467 0.013 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCOC3)CCO2)C1 1840876392 RQRYEXJEJVGFMZ-LLGFUMIMSA-N 410.511 0.443 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cn2)C1 1842265011 VZFFTEJEKYZBTH-QGZVFWFLSA-N 412.490 0.774 30 20 HCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CNC(=N)N)C3)ccc1Br 1845458355 UTCXYLZCNRLJLR-UHFFFAOYSA-N 419.283 0.621 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(OC)OC)C2 1847069271 KUXNJRMSDVHNBQ-AWEZNQCLSA-N 409.483 0.725 30 20 HCED C=CCCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847263846 CFGSIRAJJUGGGL-IRXDYDNUSA-N 411.568 0.911 30 20 HCED COCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 23367941 NUTGYKXRXNDRAE-AWEZNQCLSA-N 407.902 0.919 30 20 HCED COc1ccc(OC)c(CN2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409520744 KSVZQDUHZPTULK-QGZVFWFLSA-N 410.496 0.291 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 409587989 DEQFKJNCCGKMGP-SFHVURJKSA-N 409.556 0.894 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 409589890 YYWOJMPHIOVSRR-OAHLLOKOSA-N 414.509 0.030 30 20 HCED Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 410147112 HREZYXPMRHUYBH-SJLPKXTDSA-N 422.507 0.376 30 20 HCED C=CCNc1ncc(C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)s1 432927696 IXMYVNZJGMKJRR-NSHDSACASA-N 423.520 1.406 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(I)c1 434410428 CZFFSFMBPPVOKL-SNVBAGLBSA-N 415.187 0.989 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 439050046 KVPVLJLQXZMKEZ-QGZVFWFLSA-N 409.508 0.764 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2C)cc1 440983789 CCDWDTBFRQZMPS-AWEZNQCLSA-N 422.507 0.511 30 20 HCED CC(C)C[C@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(=O)NCCN(C)C 441569903 SPCQGBDPPFEMNZ-HNNXBMFYSA-N 419.530 0.657 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCCC2)C1 443865865 GIYFCFMKKRNVHA-AEFFLSMTSA-N 420.535 0.938 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 444505399 CYMZFQRFKBJGDU-UHFFFAOYSA-N 416.388 0.998 30 20 HCED CN(C)CCc1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446529382 CJMCFUSHASKXNV-UHFFFAOYSA-N 401.511 0.804 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460611961 WMECWUVPKSLOKW-UHFFFAOYSA-N 417.429 0.932 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CO)Cc1ccc(O)cc1 461788237 JOWAZXOSYYYGEN-INIZCTEOSA-N 413.430 0.947 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)Cc3cccc(C#N)c3)cn2)CC1 462417879 OAZPJMNNFCRMEI-UHFFFAOYSA-N 402.480 0.471 30 20 HCED N#C[C@H]1CN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCN1Cc1ccccc1 463733910 FOEIDYZIAWEAMN-WUOIFLIFSA-N 408.458 0.385 30 20 HCED N#Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 464738114 OCQFSAHEMRATKP-QGZVFWFLSA-N 406.464 0.434 30 20 HCED CN(C)CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 471633490 GOOBOAIJKSQHIW-UHFFFAOYSA-N 409.512 0.152 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)c1C#N 472681405 DFEFGGMMEROXFZ-ARFHVFGLSA-N 412.494 0.813 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 475454183 QAHXXTDUFZSWKX-AWEZNQCLSA-N 402.498 0.388 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(S(C)(=O)=O)cc1 480779843 LYHWJRYYZDWRSR-CYBMUJFWSA-N 421.500 0.945 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 481021687 WAAHASGLZXOQEH-DGCLKSJQSA-N 400.482 0.657 30 20 HCED Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 481063381 ULXFVLSKMGJCOV-ZDUSSCGKSA-N 401.510 0.796 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(OCC(N)=O)c1 482384417 WKJWIOSKWYWZMD-CYBMUJFWSA-N 416.459 0.406 30 20 HCED CN(C)CCCN(CCC#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 482589900 ZNFGXMAMRQZMAM-UHFFFAOYSA-N 424.527 0.802 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)CO)c2)c1 485027348 NOLRCSSHSBXDCP-QFIPXVFZSA-N 410.426 0.671 30 20 HCED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN4C(=O)C(=O)NC[C@H]4C3)c2C#N)C1 485425081 AEDMGIZSUIYZGP-OLZOCXBDSA-N 415.519 0.716 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 489046782 ROAMDSVGPHBNOM-AWEZNQCLSA-N 416.503 0.179 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1 492297158 UKBJKJFRMAQBMD-AWEZNQCLSA-N 406.464 0.532 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498536889 YZEBVUWMQGSRNK-IAGOWNOFSA-N 419.507 0.489 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1=O 499990352 WNQGSERNMRSSJW-GUYCJALGSA-N 406.508 0.330 30 20 HCED COC(=O)c1c(C)csc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 500248592 CFXGFOSEQDNFDG-UHFFFAOYSA-N 408.480 0.856 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@H](C(=O)OC)C1 508464708 NRIFUWSDJHMPCG-HNNXBMFYSA-N 406.464 0.913 30 20 HCED CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 509838584 WGBCFLOWJDMEOU-GJZGRUSLSA-N 421.523 0.877 30 20 HCED N#CC1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 510938816 WULOAMOSWVYGMT-UHFFFAOYSA-N 412.462 0.986 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1 524473994 ZWUMJPLUWONTPX-OAHLLOKOSA-N 411.505 0.670 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CC#N)C2CCCC2)CC1 531340303 LKFVUCFEPQBCDS-UHFFFAOYSA-N 409.512 0.893 30 20 HCED COC[C@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 532134383 ZSYLWEIIZAPHHO-IBGZPJMESA-N 422.507 0.345 30 20 HCED C=CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 532718199 CIEOIHAVVALAOC-ZDUSSCGKSA-N 401.435 0.695 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCc3ccc(S(N)(=O)=O)cc32)CC1 538095021 ZPQQEODTJFLWMJ-LJQANCHMSA-N 419.551 0.779 30 20 HCED C[C@@H](O)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 538391417 BCXREIMSMOTKDO-VQIMIIECSA-N 417.485 0.060 30 20 HCED Cc1noc([C@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 541650309 CWKKXGGCMUPHSI-ZDUSSCGKSA-N 418.479 0.433 30 20 HCED COc1c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cccc1C(N)=O 542012748 VHNJDPUDKWBOMB-UHFFFAOYSA-N 402.432 0.925 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 544713083 IISNWELALITDEM-UHFFFAOYSA-N 416.419 0.590 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@H](COC(C)C)C1 547447647 FFGFDMFCBFTOAU-INIZCTEOSA-N 412.450 1.038 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCN1C[C@H](C(=O)O)CC1=O 548223580 HGNSPVYNQFTAPS-SNVBAGLBSA-N 405.354 0.788 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC)CC1 555265307 KNHUUDBEMKRNMA-UHFFFAOYSA-N 408.470 0.958 30 20 HCED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 557440530 CFDHOYWUGYSLPA-UKRRQHHQSA-N 411.441 0.977 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@H]32)CC1 562041833 YHZXKNRCZUTUCP-JFIYKMOQSA-N 405.476 0.443 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3ccc(C)n3)cc2)CC1 563681319 FUQGHSURLXVIRU-UHFFFAOYSA-N 410.478 0.566 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 565919857 OEKCRIAFWDOMPT-IRXDYDNUSA-N 417.462 0.846 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C 567242703 OKPGZNVUYBPEFG-HIFRSBDPSA-N 422.507 0.922 30 20 HCED C[C@H]1CN(C[C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 572413078 MQXSTYYRGHSGMB-SOLBZPMBSA-N 420.535 0.937 30 20 HCED N#CCC1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 573511354 WKHRLWATODPGBX-UHFFFAOYSA-N 405.480 0.957 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCCN(CC(=O)N3CCCC3)CC1)CC2 577774373 PRZBDWBYDFPDIQ-UHFFFAOYSA-N 409.490 0.604 30 20 HCED COc1ccc(OC)c(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 578914734 JQHBNDXDTWCFAB-UHFFFAOYSA-N 409.446 0.935 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 582935574 ROGUAVWIJDSKCB-INIZCTEOSA-N 424.509 0.467 30 20 HCED C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 585716548 HTZGJASOYBSNJK-OAHLLOKOSA-N 414.510 0.920 30 20 HCED Cc1ccc(CN(CCO)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)o1 587659345 LOMFXVWVKDJRGP-UHFFFAOYSA-N 411.462 0.961 30 20 HCED CN(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 603595639 XNVNSWKFRNEQTN-CQSZACIVSA-N 407.496 0.191 30 20 HCED N#Cc1cnn2c(O)cc(Cn3cc(S(=O)(=O)N4CCCC4)ccc3=O)nc12 603722710 RYSHXFYDHMIGOI-UHFFFAOYSA-N 400.420 0.301 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cn1 609659038 QGDSMPPTSPIUSA-UHFFFAOYSA-N 412.431 0.682 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 610636012 VZFBGUMKKRJYLC-QVKFZJNVSA-N 423.477 0.987 30 20 HCED N#Cc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)c(Br)c1 611491996 VKOJTBBHHZGPAT-AWEZNQCLSA-N 421.251 0.990 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3ccccc3)CC2)C[C@@H](C)O1 612309724 HQPROPBCGMNBMG-HDICACEKSA-N 420.535 0.719 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OCC)cc2)CC1 670756836 PFZSOQCLKSHMLJ-MRXNPFEDSA-N 402.495 0.709 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 728573301 NFKMIQAMPVINAU-UHFFFAOYSA-N 403.439 0.299 30 20 HCED CCC(=O)N[C@H](C)C(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729071289 YUWFKZVLRROZFE-CZUORRHYSA-N 401.423 0.867 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C=NOC)cc2)c1 729417582 LZNBLBFQZFKALN-UHFFFAOYSA-N 404.448 0.944 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 731650542 RNGGSGFZOHOMRR-UHFFFAOYSA-N 416.507 0.565 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NCCNc2ncccc2C#N)C(=O)C1 741214634 YVZYLGPNHPMIPD-UHFFFAOYSA-N 402.455 0.561 30 20 HCED C[C@H](CC(=O)NCCc1nnc2ccccn12)/N=C1/NS(=O)(=O)c2ccccc21 742491593 NNINWHINRMOWCR-CYBMUJFWSA-N 412.475 0.905 30 20 HCED C[C@@H](NS(C)(=O)=O)C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 758480888 YZKJPXRRIUIBAK-LLVKDONJSA-N 406.382 0.654 30 20 HCED CC1(C)C/C(=C\c2cn(CC(=O)O)nn2)C(=O)/C(=C/c2cn(CC(=O)O)nn2)C1 759083767 LDTKPYLOHHWDRI-HMMKTVFPSA-N 400.395 0.895 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 765782218 MQQDMRBFWOFMDZ-UHFFFAOYSA-N 411.437 0.269 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)c1 771078003 HXBJARDQFUSVLQ-UHFFFAOYSA-N 401.466 0.622 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 773947120 BOFAWZCKWILNBP-CQSZACIVSA-N 423.491 0.525 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)[C@@H]1CCCO1 782126248 WCWNTBXAAJRRNK-QUCCMNQESA-N 412.490 0.586 30 20 HCED C=CCCN(OCc1ccccc1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 782516860 LWDXRCFPLCJRPQ-UHFFFAOYSA-N 403.526 0.818 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 787755205 JZAKSVXOQGBIAW-CYBMUJFWSA-N 404.471 0.853 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)c(F)cc1Br 796219210 YNKQQJBEMADVCR-UHFFFAOYSA-N 408.205 0.293 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC1(C#N)CCC1 796275614 LXAUNEFXHYMRBO-LLVKDONJSA-N 410.408 0.367 30 20 HCED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 798486070 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CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1517239999 RMBHYPMOQJHJEY-HNNXBMFYSA-N 404.496 0.839 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC(=O)N2CCOCC2)CCO1 1521130747 ZYCPTWIXXKUZDO-AWEZNQCLSA-N 400.414 0.672 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)CC2)o1 1638779499 IOMNJKOELDPNTN-JKSUJKDBSA-N 408.480 0.486 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC1(O)CCOCC1 1706071860 YSQJYSFQKAWNDA-KBPBESRZSA-N 414.532 0.416 30 20 HCED CNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1748163089 LUNWUYWPJDOTDY-QGZVFWFLSA-N 423.477 0.537 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020631 RQIXRSCUOCCULG-GEEYGDQWSA-N 416.526 0.821 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335699 DSNMFGOAPOSSHN-BFUOFWGJSA-N 404.423 0.891 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335701 DSNMFGOAPOSSHN-ORAYPTAESA-N 404.423 0.891 30 20 HCED 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C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1837397875 XIAGQXLVJHFSSR-JLTOFOAXSA-N 422.482 0.208 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)c1 1838732286 KLKNMKLSMMDIHC-FQEVSTJZSA-N 412.450 0.312 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1838908669 MPQTTXIPFFLBCF-OAQYLSRUSA-N 424.461 0.310 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn3C)C2)C1 1839224722 XJQGSBLLYRCUJX-OXJNMPFZSA-N 406.483 0.896 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1839224822 ZFDIAKCQQDXLAX-HNAYVOBHSA-N 405.455 0.348 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1839228921 SNQNRMBDLQHZKP-ZABPZDLMSA-N 419.482 0.680 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839351377 FNFMPFGSRBPDJX-QFIPXVFZSA-N 413.474 0.659 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nc2nccn12 1839548236 MJFUDVKMFGUGJS-FQEVSTJZSA-N 412.450 0.412 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1839630713 PIJRMOAMFWDGKF-SGTLLEGYSA-N 405.480 0.346 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839711724 HCYACNQBJDTSCE-OXQOHEQNSA-N 406.483 0.239 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839999633 MMYWAVOONBEJAE-YCRPNKLZSA-N 420.531 0.939 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006984 HOGCLPWZQXNLPL-RQTSHOTFSA-N 420.506 0.998 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4CN3)C2)C1 1840160207 AUSKPAWTQGMGLP-UQASEVPWSA-N 419.547 0.476 30 20 HCED COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840235786 NWVZISHWQFQWJM-FQEVSTJZSA-N 409.483 0.870 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840294561 LEPHTUPVXAPDTG-UWJYYQICSA-N 405.495 0.257 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840448373 NNWKNUCKGXYEON-NQIIRXRSSA-N 417.510 0.893 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550589 GPZOVPLWLLDCMD-MRXNPFEDSA-N 424.466 0.089 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C1(O)CCC1 1840811339 IOSBZDBMKFABQO-OXJNMPFZSA-N 405.495 0.688 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CCC1 1840814816 ZPCYEDQNAHHXEC-SFHVURJKSA-N 418.410 0.082 30 20 HCED Cn1cccc1C(=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844303396 WXDQBGRWSCAUMZ-RHLNUJDMSA-N 402.451 0.940 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1845188713 YCKXFOAQENXARC-INIZCTEOSA-N 424.450 0.194 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(=O)c2ccccc2)C1 1847061368 DKYFHWQVPMRFQK-QXPKXGMISA-N 424.501 0.867 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 11305668 ZEKKLDDWPKSCOR-UHFFFAOYSA-N 411.436 0.113 30 20 HCED CCN(CC(=O)Nc1ccccc1SCC#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 16586345 UXSYOTSGJPZCGT-AWEZNQCLSA-N 424.548 0.866 30 20 HCED C#CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 18478668 SYAWXFPYZLFZIE-ACJLOTCBSA-N 404.444 0.160 30 20 HCED C[C@@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 143189293 NYNAVJMQBCTCNP-ZDUSSCGKSA-N 400.451 0.889 30 20 HCED CCCC[C@@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 146997110 MOBGMYDRDKMMBI-MRXNPFEDSA-N 407.496 0.618 30 20 HCED C[C@H](C(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 302748273 CFPWYWOIICYZHG-GFCCVEGCSA-N 404.414 0.932 30 20 HCED COc1ccc([C@@H](C/N=C(/N)NCCCN2CCOCC2)N2CCOCC2)cc1 303791408 XNNVQAIBYKAGKM-HXUWFJFHSA-N 405.543 0.695 30 20 HCED COc1ccc(CN2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2=O)cc1 409499577 IAERCSPLCNGXCT-QGZVFWFLSA-N 408.480 0.199 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409535443 MNUPPTSCKWGGBC-OAHLLOKOSA-N 416.525 0.276 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 409582364 PPHFTIQRWBLNNF-LBPRGKRZSA-N 419.485 0.189 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C[C@@H](C)CC(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410140117 GVDVYKDHSAHGGL-BCDXTJNWSA-N 418.538 0.893 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410414154 OFHWYYGCUPYIRO-DLBZAZTESA-N 409.899 0.991 30 20 HCED C=C[C@@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 426848727 QVRRLBOGGGEISI-NSHDSACASA-N 410.386 0.707 30 20 HCED COCCCS(=O)(=O)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 431124576 HBVHFEGCCXSLRI-MRXNPFEDSA-N 400.545 0.701 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCn3c(O)nnc3C2)c1C 440799153 BBCZNQJBTFPMHX-UHFFFAOYSA-N 406.406 0.639 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](CC(N)=O)C3CCCCC3)n2)cc1 442025423 FABXWUIWIWASGL-QGZVFWFLSA-N 423.477 1.077 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([S@](C)=O)CC2)cc1 443274881 QQRXELCMDQLESU-SANMLTNESA-N 413.521 0.459 30 20 HCED Cc1ccc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1S(=O)(=O)NCC#N 443954406 BDLKYSBQHNKEGH-OAHLLOKOSA-N 402.480 0.941 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 460381294 CGUIFMOKOPGUEX-QGZVFWFLSA-N 407.492 0.822 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 461784234 ILVUZKDSFYDJHD-CYBMUJFWSA-N 419.438 0.857 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462017136 RFTSOZHWBZWSRM-INIZCTEOSA-N 424.509 1.512 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 463180015 IWRPLMMZWMBGHU-LTDCPUDJSA-N 409.446 0.154 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 463389541 IUBYECPFAXOKFM-HZPDHXFCSA-N 415.537 0.741 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)ccc1OC 466357806 QTKHAXMYKFWLGT-NSHDSACASA-N 408.440 0.283 30 20 HCED C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](CO)O1 470378173 XBEBJWMMLJYORC-PBHICJAKSA-N 407.492 0.567 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2C(C)C)c1=O 478847407 DRQFHHXCYDITTB-UHFFFAOYSA-N 417.535 0.753 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN3C(=O)NC[C@H]3C2)c(C#N)cn1CCOC 481442745 WJWMXAZAZXPREG-ZDUSSCGKSA-N 404.427 0.424 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC 481897941 VGCNGXBOIALRCR-UONOGXRCSA-N 415.537 0.897 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 482185903 ZCALMWGJYTXHHB-WMZOPIPTSA-N 420.535 0.796 30 20 HCED CC(=O)NCCN([C@H](C)C(=O)O)S(=O)(=O)c1cc(Br)cc(C#N)c1 485304869 IJHFPXHEEIDRKK-SECBINFHSA-N 418.269 0.921 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 489526699 VLSHHOYFOMBINY-UHFFFAOYSA-N 405.524 0.667 30 20 HCED COCCc1cc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n(C)n1 490382653 LMYLWULPYSSXAJ-UHFFFAOYSA-N 410.478 0.764 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)n2)cc1 490753061 COUZILQKGDQEMI-UHFFFAOYSA-N 417.433 0.275 30 20 HCED CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 492181091 LFAWNNDAJSQVBJ-AWEZNQCLSA-N 421.928 0.794 30 20 HCED N#Cc1ccc(N2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 497488145 DKMOMFBZIGWVEO-UHFFFAOYSA-N 406.494 0.604 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cn1 497718908 GFLALLMYRUJSCC-QGZVFWFLSA-N 422.493 0.121 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498357708 ZPCBKJZINJOPET-HNNXBMFYSA-N 407.448 0.268 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 499139128 MUKSEGVAIOWJGA-CYBMUJFWSA-N 401.510 0.692 30 20 HCED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 503270106 JLZRGBCJUVNLDX-UONOGXRCSA-N 410.272 0.187 30 20 HCED N#C[C@@H]1CN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)C[C@]12C(=O)Nc1ccccc12 513656136 YFRMIVGXOOXOEO-FIKIJFGZSA-N 420.429 0.394 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 515946815 PUNFZUNSMXIMIY-UHFFFAOYSA-N 406.446 0.942 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1=O 516342640 RSZLCBHMGVZVAE-CJNGLKHVSA-N 406.433 0.905 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)cc1 519636324 VIQVTVNGPDAHBV-UHFFFAOYSA-N 406.445 0.718 30 20 HCED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 524970908 RJPKCHQGFHUYQS-ZWKOTPCHSA-N 421.519 0.957 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n(CCC#N)n1 532606693 IPKNKXSQVIBHSH-CQSZACIVSA-N 400.414 0.643 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](NC(N)=O)C2)CC1 534228729 DNEDCWVJYVPOPW-ZDUSSCGKSA-N 413.438 0.197 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)n2)c(Cl)c1 537323429 LNTHZIKAIXUMMV-UHFFFAOYSA-N 405.827 0.880 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC)C(=O)O 541000239 VDCPIUDEAIESQG-CYBMUJFWSA-N 418.493 0.992 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 541369398 NGRJHMTVFLPHOB-CQSZACIVSA-N 424.479 0.062 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3[C@@H](O)CC[C@H]3C2)cc1 542285789 YHSMGTHHOCPOCU-XKQJLSEDSA-N 407.492 0.661 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 542829681 UZFIBVXPVQMFEV-INIZCTEOSA-N 404.519 0.380 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)NCC(F)(F)F 543229478 IHWYRVQNYIEWLD-UHFFFAOYSA-N 402.329 0.317 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOc3ncc(Br)cc32)C1=O 543499203 BKSXMCUAKWDVSZ-UHFFFAOYSA-N 409.196 0.546 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)CC2)n1 544864933 GCLWEFLVVFOQDY-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CCCc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c1 548151019 LNIWYWHIJJOXAD-UHFFFAOYSA-N 424.526 0.473 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)c1 548224252 VWFYKMWCHQVNSF-SNVBAGLBSA-N 416.253 0.532 30 20 HCED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549291929 LVJTUNUPBKETMT-UHFFFAOYSA-N 408.470 0.175 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)c1 550016510 APHNTCRWUZQCFL-FQEVSTJZSA-N 418.501 0.993 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCOCC1 550278165 YGAJVXCYKUKXHO-SFHVURJKSA-N 414.510 0.075 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3ccccc3C#N)CC1)C2 550340683 HNJZJOOAHHEKGU-GOSISDBHSA-N 404.474 0.979 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)C2)nc1 551430326 WQKFTPQPYIRZIY-CQSZACIVSA-N 422.380 0.686 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 552192709 DZHAYTBGSBDLCK-UHFFFAOYSA-N 405.520 0.944 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 553436581 FPDSAEDBWJMLAD-IFXJQAMLSA-N 420.491 0.744 30 20 HCED CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 561707045 LPRUALRXCSEBQM-IBGZPJMESA-N 411.506 0.718 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 573049610 XJRDVBZWRICTEY-LBPRGKRZSA-N 404.452 0.359 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 580369882 JEJPWXCNOGDRNC-KRWDZBQOSA-N 408.462 0.558 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)C1 589402100 ZWIKGCBZMKANGT-INIZCTEOSA-N 422.493 0.316 30 20 HCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 609955243 OSKNJPSVPWCJME-HNNXBMFYSA-N 415.450 0.137 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 610951676 JKPFLECDKXLIKS-UHFFFAOYSA-N 416.445 0.880 30 20 HCED Cn1cc2c(n1)CCC[C@@H]2C(=O)NCC#CCNC(=O)[C@@H]1CCCc2nn(C)cc21 684979837 HSGJNRZLWANNCA-IYBDPMFKSA-N 408.506 0.929 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccs3)n2C)CC1 728530788 SQHGDSDLBPZOKU-UHFFFAOYSA-N 418.548 0.529 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)CC1 728536116 JZDZXYACPICXQT-FQEVSTJZSA-N 409.490 0.109 30 20 HCED Cc1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C 731862970 NQXFZAPSZXXWNB-HNENSFHCSA-N 420.491 0.614 30 20 HCED Cc1ccc([C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N2CCOCC2)o1 732442290 UXYJZEOIOJMZNV-AMGRQBIBSA-N 417.466 0.787 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 733800599 BFQICIWVCPZQRL-QGZVFWFLSA-N 423.539 0.744 30 20 HCED CC(C)N(C)S(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733857121 LNZNSYBZDIUIPC-AWEZNQCLSA-N 407.452 0.464 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)Nc3ccc(F)cc32)CC1 734750856 HBOKVGPFVPANJN-UHFFFAOYSA-N 418.454 0.925 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCOCCS(C)(=O)=O)cc1 743103055 PQILNKDHXHXIDJ-UHFFFAOYSA-N 419.525 0.676 30 20 HCED C#CCCN1CCN(C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 746192579 YRGANQGCVWHYEF-LJQANCHMSA-N 409.490 0.704 30 20 HCED CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1cnn(CC#N)c1 746380974 HMHXRVWIKWRCON-UHFFFAOYSA-N 418.479 0.738 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)CC1 747975791 DXWFIKMTCOQVPU-UHFFFAOYSA-N 414.462 0.512 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 750395794 SHVTTWVWHDCZHX-AWEZNQCLSA-N 412.406 0.504 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1CCC#N 755549860 ICKLOIHXLQSRMB-KGLIPLIRSA-N 415.454 0.919 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C)cc(C)c2)c1=O 758076654 JOFDWCMTSLNOEG-MRXNPFEDSA-N 409.511 0.814 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758093004 VEOKHDSIIWHWFK-AWEZNQCLSA-N 417.871 0.285 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758756258 XJRJGOUBVAJHQK-IHRRRGAJSA-N 415.516 0.469 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)NC(C)(C)C1=O 767628343 QMMPUSLQDKNBRC-LLVKDONJSA-N 408.436 0.099 30 20 HCED COCCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2cnn(C)c2)c1=O 767879665 IUFNSQMGKDBSRX-UHFFFAOYSA-N 400.504 0.942 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1)[C@@H]1CCCO1 773791965 SCYAETFRAYEIIO-WBVHZDCISA-N 415.446 0.160 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 774986185 WSNQWYSXLMPKQH-ZEIZSXSISA-N 417.340 0.569 30 20 HCED O=C(O)CCN(C[C@H]1CCCO1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776621049 HZQKJLRTQRWPHQ-CQSZACIVSA-N 423.491 0.988 30 20 HCED CS(=O)(=O)c1nc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)c2ccccn12 779320806 DCXKJOHFYCXWAA-UHFFFAOYSA-N 410.477 0.881 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782248638 AFLHMPUYUURKNK-UHFFFAOYSA-N 414.468 0.638 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Br)nn2C)c1=O 782587310 USEUBRBECUKVKD-UHFFFAOYSA-N 410.297 0.065 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C)c1nnnn1C 787570814 RLZJFOXHGKLJNV-YPMHNXCESA-N 406.468 0.968 30 20 HCED C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)NCCNc1ncccc1C#N 787774752 KHYOUEYRNGUCMM-CQSZACIVSA-N 416.482 0.949 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796272519 CLOIUKPGQOKFDE-LBPRGKRZSA-N 412.424 0.424 30 20 HCED COC(=O)N1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 803569491 AXNKFMZGFVYSPX-UHFFFAOYSA-N 408.480 0.710 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccncc1 805807554 JZOYJIZKVAIIIZ-MJGOQNOKSA-N 413.522 0.970 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C(=O)N1c1ccccc1 807653226 AKQPUBMEROAXCK-YOEHRIQHSA-N 406.446 0.792 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)nc1 807754745 RANWBXJYQNLACO-AWEZNQCLSA-N 413.869 0.925 30 20 HCED C[C@@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 811583873 GFKHHXPNVVGMNS-HOTGVXAUSA-N 420.535 0.827 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(C)CC(=O)N3CCN(C)CC3)ccc2c1=O 842796037 UGCBKVAJLXAJJF-UHFFFAOYSA-N 415.519 0.717 30 20 HCED COc1cc(C=NNc2ccc(S(N)(=O)=O)cn2)cc(OC)c1OCC(N)=O 914697572 RRZNGPQUNDUBKQ-UHFFFAOYSA-N 409.424 0.056 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 915201675 ZMIZZXQISAPHRE-UHFFFAOYSA-N 414.443 0.066 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc4c(cc3O)OCO4)nc2)CC1 920369153 SXTRQEMYVYVVNW-UHFFFAOYSA-N 419.463 0.898 30 20 HCED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C)CC1 957703754 LGNRHHUMZFTBMP-DABHTEOTSA-N 403.523 0.346 30 20 HCED C=CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2O)CCOCC1 1049193550 PDSPOZWNVRVLSD-LYPURALISA-N 404.507 0.813 30 20 HCED CO[C@@H]1CN(CC(=O)NCC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1213185924 YLMNZEBZGARWJQ-WYLNQJLJSA-N 423.513 0.393 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 1288985892 GEPQBXUNWNMENY-HNNXBMFYSA-N 420.539 0.836 30 20 HCED CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1306549134 LKSQQVPWGRCGAZ-SOUVJXGZSA-N 403.487 0.510 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CCNS(C)(=O)=O)cc1 1318467876 PZYJCKMOPCWMKF-UHFFFAOYSA-N 404.514 0.506 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N=C3NS(=O)(=O)c4ccccc43)c2C1 1322452428 PEBHIDMFOJSGRR-GFCCVEGCSA-N 401.448 0.461 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 1470880777 QZDYBOYWXSOBSN-SUMWQHHRSA-N 402.480 0.132 30 20 HCED C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1510081522 UYVDAWOEAADZMF-INIZCTEOSA-N 401.515 0.861 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1596823349 SSIMGRWWUMPZBA-HZPDHXFCSA-N 424.571 0.887 30 20 HCED C[C@@H]1CN(c2[nH]c(=O)n(C)c(=O)c2C#N)CCN1C(=O)Cc1cccc(Cl)c1 1612043911 YSCVSQKYPQQXCA-GFCCVEGCSA-N 401.854 0.878 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCNC1=O 1644863595 PBPJIZXSSXHORW-CQSZACIVSA-N 407.496 0.425 30 20 HCED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1=O 1652053097 GIQNTMRKYCJHLZ-UHFFFAOYSA-N 405.817 0.545 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1661123316 LMSUPWRKFYIOMA-LLVKDONJSA-N 416.253 0.373 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1664217255 JVVBNLSJPVIUMR-HKUYNNGSSA-N 421.567 0.688 30 20 HCED CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1697123221 YSXBGBKGAHCDBZ-BFHYXJOUSA-N 400.505 0.242 30 20 HCED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCO[C@H]1C 1771113278 PDJFHWHNFRBUNH-HNAYVOBHSA-N 406.487 0.307 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1777901990 XREHKBXGNCZZPP-OAQYLSRUSA-N 419.445 0.995 30 20 HCED Cn1c(=O)n(CC(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c2ccccc21 1778161175 FAIHAIXNKDCBBN-HSZRJFAPSA-N 422.485 0.583 30 20 HCED CNc1nsnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779013121 BGVFIMDVRYSYSH-JLWFYQMASA-N 421.527 0.495 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779221525 STCQLNKHYQQUEQ-UZLBHIALSA-N 419.482 0.254 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1779271752 SCUCCPVSJMKVLV-WYADAEROSA-N 420.554 0.862 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cn4c(nc3=O)SCC4)C2)C1 1780940136 WTYJZQOMNHOBHX-XIKOKIGWSA-N 424.548 0.040 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1781268756 WBWCLTCQGBVTFJ-NRFANRHFSA-N 401.463 0.963 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOC3=O)CCO2)C1 1781396520 ZMMYRYDJFBLFLJ-HNAYVOBHSA-N 410.471 0.460 30 20 HCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1781475468 RNRDYXDQBGECGX-FOIQADDNSA-N 421.567 0.678 30 20 HCED 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414.462 0.455 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1788623277 WIJPBPHDOIZLBL-UGUYLWEFSA-N 400.483 0.806 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)n(C)n3)C[C@@H]21 1789890483 XKFHGFOTTIQYPR-DZKIICNBSA-N 420.466 0.228 30 20 HCED CC(C)NC(=O)OC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262419 IUDSGZVEJFBAIC-ALXJQNPVSA-N 405.495 0.903 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CNC(=O)c2cccs2)CCC1 1794118592 WHEZTACXHDCPKL-XOIINTDNSA-N 416.503 0.761 30 20 HCED COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)n1 1795418406 OUSAQTHJFHKDQQ-DRXBFXEBSA-N 403.395 0.505 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(-n2cnnc2)cc1 1795491453 BDUFBOHJSGEAEE-BOLBYERCSA-N 423.473 0.509 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C)n1 1795981704 WRZGOLSRYJXWEA-OSQPQIOTSA-N 412.490 0.760 30 20 HCED 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CCS(=O)(=O)N1CC(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 555151525 BZQQCTHKNXDBQU-UHFFFAOYSA-N 412.541 0.436 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccc1 558947892 XEQJEWQXJOAEPL-GDBMZVCRSA-N 404.496 0.860 30 20 HCED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 558982314 JKMUZGRPGGPNNT-OAHLLOKOSA-N 422.511 0.998 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)CN1CCN(C)CC1 560015542 IVUSCIMJRYSHQO-GOSISDBHSA-N 412.538 0.207 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 562023825 AJFDSDJHIVQERZ-IRXDYDNUSA-N 406.531 0.931 30 20 HCED CN(C)c1noc([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 569654414 BMWDCQYUHPKLHI-CQSZACIVSA-N 418.479 0.692 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c1 572328919 PGBFXOKEOQIESX-HNNXBMFYSA-N 405.398 0.998 30 20 HCED COCCO[C@@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 576609110 BCZSXSFVAOQQPZ-MRXNPFEDSA-N 412.450 1.040 30 20 HCED CCN(C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579050653 GJKTUDZORDMEOU-MOPGFXCFSA-N 411.506 0.576 30 20 HCED CC(C)(CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccc2c(c1)OCCO2 586848991 LTNBJLYFNKGRIR-UHFFFAOYSA-N 400.479 0.956 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)c1C#N 589609114 PQRYYTZJPIMARY-UHFFFAOYSA-N 412.541 0.580 30 20 HCED N#Cc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 608876642 QNNGAYPOPSZOHN-UHFFFAOYSA-N 413.459 0.729 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 608891134 VVNHLBZAJHPNBB-UHFFFAOYSA-N 420.473 0.538 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 609549674 GNYRNLJTYDVTKQ-MRXNPFEDSA-N 403.458 0.815 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccccc2Br)cn1 609593599 YYXHUGJYHIFGQX-CYBMUJFWSA-N 412.269 0.842 30 20 HCED N#Cc1ccc(CSCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609836206 UIBAACTWEQBIQW-SFHVURJKSA-N 402.520 0.841 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 610804385 NCHGOALIVJOUCJ-WMZOPIPTSA-N 420.535 0.938 30 20 HCED CNC(=O)COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 729436291 PXNDATCSRLXQRY-UHFFFAOYSA-N 402.432 0.489 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)CNC(=O)CNC(C)=O)nc1C 732094324 HFGYGTRLSTUHTR-UHFFFAOYSA-N 409.497 0.376 30 20 HCED COc1ccc(C(=O)NCCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732157386 YPTYBEDOCLITNJ-CZIZESTLSA-N 400.435 0.848 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 734271236 DWNMNIRDHVGHSC-INIZCTEOSA-N 417.514 0.234 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 743907174 WQYWBXKTMMCEBP-UHFFFAOYSA-N 418.469 0.789 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(F)cc(OC)cc2F)CC1 747279355 VVIYTYIVGSSRRR-UHFFFAOYSA-N 401.435 0.419 30 20 HCED Cc1oc(NC(=O)COC(=O)CNS(=O)(=O)CCOC(C)C)c(C#N)c1C 748146394 SHQATHRABNRJFE-UHFFFAOYSA-N 401.441 0.594 30 20 HCED CC(=O)N1CC[C@H](CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 755216837 YCIHZYXZIUKSHX-OAHLLOKOSA-N 406.508 0.832 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(COC)cc2)c1=O 758050570 GISXNKFCIPWKMG-UHFFFAOYSA-N 407.495 0.815 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1ccc(O)nc1=O 762275856 WSBBNDYBZQZPMF-UHFFFAOYSA-N 417.422 0.457 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCc2nnc3n2CCCC3)cc1 763259285 ZXHVOBCTPRFDMJ-UHFFFAOYSA-N 401.492 0.889 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629600 WGSYPTSWHJQYFN-RYUDHWBXSA-N 408.436 0.169 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cnn(-c2ccccc2)c1C 771889589 AYBSGFNLHCOQHQ-UHFFFAOYSA-N 416.463 0.281 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1=O 773785962 CNBSEOVFFJIZBM-CHWSQXEVSA-N 408.455 0.867 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 775165868 JKVFNLSYCRHKQK-HNNXBMFYSA-N 410.434 0.961 30 20 HCED C#CCOCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 785151689 FGSVIVRIZYZLGK-UHFFFAOYSA-N 419.503 0.516 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)CC1 787479136 CWSRUSXFELTWAJ-UHFFFAOYSA-N 411.462 0.451 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)COCCNC(=O)OC(C)(C)C)CC2)c1C#N 788264564 ZFBOVQOEBLFJOE-UHFFFAOYSA-N 406.487 0.790 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)CC1 790842865 KJLRMXMLQQKCIB-UHFFFAOYSA-N 405.411 0.625 30 20 HCED Cn1c(N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(C#N)c(=O)n(C)c1=O 804833981 RLAJSTNUHJZVDY-CQSZACIVSA-N 418.498 0.087 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 807300119 ZNJITPCHNGZHFQ-ZIAGYGMSSA-N 408.480 0.798 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@@H]1CCCO1 807969151 MCOPIXMQSCLBQH-BZSNNMDCSA-N 419.428 0.869 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(c2nccc(OCC)n2)CC1)[C@@H]1CCCO1 809307907 HYNPQBUTRCIFTK-CVEARBPZSA-N 401.467 0.211 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCO1 809311573 XZDCLAFGNSOGJB-MSOLQXFVSA-N 419.503 0.207 30 20 HCED Cn1c(S)nnc1C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810353829 DHLUZYRNKZYKQD-UHFFFAOYSA-N 420.520 0.660 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810379769 LFIHMDPMZAVUJE-AWEZNQCLSA-N 408.480 0.962 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C(=O)OC)C(C)C)cc1 811070545 BTJVVJGSCNFRIG-INIZCTEOSA-N 410.448 0.069 30 20 HCED C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 811185740 SKZVSWQGCUTAFS-YOEHRIQHSA-N 424.479 0.990 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 814180644 NRASOWADNPJRQP-KDOFPFPSSA-N 416.478 0.648 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)cc1 839264888 ZXELCOOPWWJHTK-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 916869183 UYNQQYJLPPRJBZ-AWEZNQCLSA-N 406.464 0.319 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)NC)CC2)o1 917431612 SWGPMZUEUZBCFW-LBPRGKRZSA-N 411.436 0.312 30 20 HCED C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)N(C)CCC#N 921105537 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1357129085 NOZAYUIDVVENCS-UHFFFAOYSA-N 413.482 0.942 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)CCS(C)(=O)=O 1359142452 INASQOKWWKXGHC-LLVKDONJSA-N 413.953 0.512 30 20 HCED CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1=O 1471033588 ZBBSQBPGYHERCD-CABCVRRESA-N 415.498 0.389 30 20 HCED N#C[C@H]1CN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 1471131594 CXVDTZGYLBICBU-HOCLYGCPSA-N 412.899 0.178 30 20 HCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1511976902 LOUODQNSHLWNPS-AWEZNQCLSA-N 411.466 0.484 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1cn[nH]c1 1554303257 DFAYFKQFTSPNRI-UHFFFAOYSA-N 414.495 0.768 30 20 HCED CCc1csc(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1559413013 NPKWWVNYAIWWCF-UHFFFAOYSA-N 420.516 0.877 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@@](O)(CC#N)C3)c2)CC1 1562326934 HEAMKZPMCKNJDC-IBGZPJMESA-N 421.523 0.895 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(C)(=O)=O 1593808271 QBRWDHOHMOLGOO-MNOVXSKESA-N 413.953 0.510 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1596831645 OTCLTISUESSMGC-BBRMVZONSA-N 420.495 0.936 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1613025835 IGGRMMPZBVGYSE-LIRRHRJNSA-N 419.507 0.837 30 20 HCED CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1696593085 YMILEOLDMLVEJN-LBPRGKRZSA-N 403.468 0.087 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1696889482 YXRSVNLAYZKERP-MEDUHNTESA-N 415.495 0.102 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N(C)C 1771112408 OELURYVPODSYJU-AWEZNQCLSA-N 412.516 0.025 30 20 HCED O=C(Cc1cnc[nH]1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1777992933 AZFOTBQJAICSRV-OXLQYAEFSA-N 416.526 0.938 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1778886724 ODKUFNQQWCZNIA-MGPUTAFESA-N 407.467 0.128 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779382227 DAASJPCWLLXIDX-HXUWFJFHSA-N 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C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](O)Cc1ccccc1 438253567 DPKXBQZIEKEAPX-KXBFYZLASA-N 418.457 1.245 30 20 HCED Cc1c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 438903012 OYUHPMUXVGQXFY-UHFFFAOYSA-N 419.445 0.170 30 20 HCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CC1 440402069 XNEODHQUYLUMLU-HNNXBMFYSA-N 410.455 0.508 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 441697947 FTLDKCOZZYIBMZ-UHFFFAOYSA-N 420.429 0.596 30 20 HCED COCC[C@@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(N)=O 442289781 JLYNEXLMGHUNHA-LLVKDONJSA-N 402.329 0.444 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 444505021 CAWYAEDKEIZUFB-UHFFFAOYSA-N 419.445 1.484 30 20 HCED C=CCNS(=O)(=O)c1ccc(-c2nc(-c3cn(C)c(=O)n(C)c3=O)no2)cc1 445535772 DFZPNAIMFDBWPP-UHFFFAOYSA-N 403.420 0.265 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)Cc1cccnc1 476724271 YEVOYRWIFRFBCR-CQSZACIVSA-N 415.475 0.790 30 20 HCED CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1 480427790 OQUYHIATEHNARS-MAUKXSAKSA-N 408.524 0.698 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 482143401 ZZKLLOJSBIMZHQ-ZWNOBZJWSA-N 418.397 0.504 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 482185900 ZCALMWGJYTXHHB-AEFFLSMTSA-N 420.535 0.796 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](N(C)C)C2)cc1 490633823 XRKDSNYAJVFSSO-MRXNPFEDSA-N 408.524 0.984 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1 492662460 WKRWPMMJMQDPEF-OAHLLOKOSA-N 402.455 0.188 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 498335131 RNEZYHMLXKICHL-QZTJIDSGSA-N 418.519 0.990 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 499748241 IYWNYGQJZSGCTB-UHFFFAOYSA-N 422.504 0.143 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1 502058660 QVSOHXXHGIHJSJ-UHFFFAOYSA-N 407.499 0.908 30 20 HCED CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 503580899 HCPVEZOBINKSDK-UHFFFAOYSA-N 410.496 0.382 30 20 HCED Cn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508546945 YXMKFPMKXSBVAB-OAHLLOKOSA-N 418.479 0.286 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508811141 RPXWYBRYQJUUHL-INIZCTEOSA-N 403.531 0.737 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC)s1 510710585 CFEZXIVPSJOWGF-VXGBXAGGSA-N 418.545 0.760 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 511518280 SZYUGBZYXHKRLC-UHFFFAOYSA-N 414.447 0.039 30 20 HCED N#C[C@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CCN1Cc1ccccc1 511776419 OLLHCRAKCNNTOJ-FQEVSTJZSA-N 407.474 0.951 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC2(CCOCC2)C1 514321071 LZLNMPOTFWKKMJ-OAHLLOKOSA-N 407.492 0.881 30 20 HCED COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 518442864 BDAOKWXAXUHEKY-QGZVFWFLSA-N 416.459 0.788 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 531131036 HRUQLRFSZORGSJ-UHFFFAOYSA-N 414.512 0.837 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(N)=O)cc1F 538105069 ZGYYUFZBZARYOK-LLVKDONJSA-N 411.397 0.262 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]3CCOC3)n2)c(Cl)c1 541145349 JCFZPGTVZYBNLG-IUODEOHRSA-N 403.826 0.849 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 541361950 FMDXPQZJQISOOS-CABCVRRESA-N 423.491 0.994 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 544872897 GTUFLZJZMMIXKR-IUODEOHRSA-N 405.480 0.288 30 20 HCED CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)Cc1ccccc1 550034828 HFEWUIRQUQXCKR-FQEVSTJZSA-N 420.517 0.891 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3cccc(C(N)=O)c3)CC2)cc1 550725345 PPXMLKDLPMAJHR-UHFFFAOYSA-N 405.458 0.618 30 20 HCED COc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC)c1 555908252 JRGBDADKMSEDED-UHFFFAOYSA-N 400.439 0.588 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(S(C)(=O)=O)CCCC1 557677447 TXVHHRPVFWZRJI-ZDUSSCGKSA-N 413.521 0.699 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)CC1 557766126 AYEMTSINLDTBOR-QAETUUGQSA-N 421.494 0.095 30 20 HCED COCCNS(=O)(=O)c1ccc(CNCc2cnc3c(C#N)cnn3c2)cc1 559879042 SXNQQPZETJDMOY-UHFFFAOYSA-N 400.464 0.815 30 20 HCED CN(C)Cc1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 559904290 BIPLRISLQRJOLU-UHFFFAOYSA-N 406.490 0.980 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCCc3ccccc32)c1 562089902 ITMOOQGRYSWQJP-UHFFFAOYSA-N 412.471 0.932 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCSC[C@H]3CCO)C2=O)cc1 562889750 MWCVKPIUVXFTSO-IAGOWNOFSA-N 416.503 0.496 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 566337132 OIIMFHMWKSYQRR-QGZVFWFLSA-N 415.469 0.721 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1=CCN(C)CC1 575898827 GMXFAKLDCRMZKU-BEFAXECRSA-N 409.490 0.936 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1(C#N)CC1 580810475 CMDKTVPAWCODDJ-UHFFFAOYSA-N 406.464 0.374 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1cccc(C#N)c1 587717604 LREJOFXTFPDMGD-AWEZNQCLSA-N 406.446 0.578 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 588055995 OCHPVWPWFXILGP-MOPGFXCFSA-N 409.490 0.376 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCCO1 589142532 WJUFVWNROPAVSP-HOTGVXAUSA-N 417.466 0.382 30 20 HCED CCn1c(O)nnc1C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589453086 YEUSMTHWRVKMDH-UHFFFAOYSA-N 418.479 0.560 30 20 HCED CN(C)C(=O)[C@H]1CN(C(=O)c2cccc(C#N)n2)CCN1C(=O)c1cccc(C#N)n1 589840673 RHLVRWJIWNESRC-GOSISDBHSA-N 417.429 0.275 30 20 HCED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 610126663 MAIPDIMBGHIAKV-GOEBONIOSA-N 413.521 0.964 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C2 615811485 JCISVHZJHTZYSC-KRWDZBQOSA-N 423.477 0.016 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O 726043877 URVDAJVBKPWPBS-UHFFFAOYSA-N 408.298 0.192 30 20 HCED CCN(CC)CC(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 728930098 IFHDERXJXKKPHE-QGZVFWFLSA-N 424.505 0.998 30 20 HCED C#CCN1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 742304254 ZYGDZTLRLFWJJP-UHFFFAOYSA-N 404.492 0.091 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)cc1 747147328 YAOQWYSGGMYRBO-QXAKKESOSA-N 405.520 0.922 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 747736516 JIUAJRFENZQNED-LJQANCHMSA-N 410.478 0.762 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(COCCOC)c2)CC1 747993345 HAXOCYXVMHWJIP-UHFFFAOYSA-N 401.463 0.776 30 20 HCED CN(C(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 748745023 LTISNPPJUZIYIN-ZDUSSCGKSA-N 408.505 0.247 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)c[nH]1 753359738 SSDTXQGUMPDUKM-UHFFFAOYSA-N 416.503 0.708 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 755307741 UGDUDRBYYYECIY-UHFFFAOYSA-N 424.445 0.471 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H]([C@H]2CCCO2)C1 757002522 ZEVVSTJMZBPTBB-CVEARBPZSA-N 407.492 0.912 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 757836352 FSRYQASHEMCAEF-AVGNSLFASA-N 408.455 0.677 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 758053683 JYLYNEPYWMLTHD-UHFFFAOYSA-N 424.526 0.389 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2ccnn2C)c1=O 758078545 PGHGWJCGEYZPLN-PBHICJAKSA-N 409.515 0.474 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)C1 758644805 MVBNFQQWMVQDIS-YDHLFZDLSA-N 411.484 0.882 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(CC(=O)NC3CC3)CC2)[C@H](C#N)C1 758779431 VNTDJESPROTOEN-GDBMZVCRSA-N 420.514 0.351 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2C)CC1 761029822 QZDZCFQJCQWERJ-UHFFFAOYSA-N 419.551 0.619 30 20 HCED COc1ncc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C(N)=O 762188064 RCUWIMYBSRLZEZ-JTQLQIEISA-N 417.447 0.645 30 20 HCED CCOC(=O)C(C)(C)n1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 766154126 JSXHYCQWLPTPFP-CCEZHUSRSA-N 404.427 0.829 30 20 HCED C#CCCN1CCN(CC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CC1 776593159 SAQQTLIGZAHGPM-KRWDZBQOSA-N 409.577 0.905 30 20 HCED CCOC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 781203881 FSQSYZYGPIQWDG-BLLLJJGKSA-N 409.464 0.200 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(SC(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 783478883 FWTGCKDWSQWKCS-LLVKDONJSA-N 403.432 0.984 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 783539650 PRRXRQWSTLWMCX-UHFFFAOYSA-N 418.512 0.943 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C 786700690 VIRHCUJKGFGTHB-CQSZACIVSA-N 409.443 0.883 30 20 HCED Cc1nn(C)c(N2CCN(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)CC2)c1C#N 788044329 MPQTWYPOUCKURH-SFHVURJKSA-N 407.478 0.843 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)n1 789794676 HGDYPASPCYAFEZ-UHFFFAOYSA-N 407.434 0.388 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](N2CCCC2=O)C1 791082084 NPGCTFSANQAGRK-CQSZACIVSA-N 404.492 0.729 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nc1 792392583 BOCKPXXOMFVGCK-AAEUAGOBSA-N 424.483 0.870 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCN(C)C(=O)OCc2ccccc2)CC1 793438626 GGXVZAMDCLYYIA-UHFFFAOYSA-N 414.506 0.929 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 803862252 ZINNOWWIJQKBIG-UHFFFAOYSA-N 424.822 0.562 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)nc1 808346386 UOKNOOSFOXJNSA-QZTJIDSGSA-N 414.510 0.365 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)CC2(C(=O)OC)CCCCC2)CC1 813669529 MFARWZURBJILFI-UHFFFAOYSA-N 413.540 0.197 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCNC1=O 832644965 SMDQKAFADBNCRP-AWEZNQCLSA-N 408.480 0.852 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(-c3ccccc3OC)o2)C1=O 1116171888 ZOUVPXPZDHSJKW-UHFFFAOYSA-N 400.347 0.765 30 20 HCED CC(=O)OC[C@H](CO)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1116869470 KKHIAHISEODPIG-DZGCQCFKSA-N 411.480 0.180 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1 1117689820 WYWLHRXRYYXBCB-LYZGCBJASA-N 417.388 0.613 30 20 HCED CS(=O)(=O)N1CC[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1234607890 IJMPEIYEBKVJMC-HWOWSKLDSA-N 407.496 0.976 30 20 HCED C=CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)OCC 1254754209 LZXPFDHVCUBCGF-HNNXBMFYSA-N 409.464 0.045 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCSC[C@@H]3CO)CC2)cc1 1295202290 ZTSCZIFHWVBBAI-INIZCTEOSA-N 409.533 0.895 30 20 HCED COc1cc(OC)c(C[C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)c(OC)c1 1298069142 JOJSLGOYKNIRDO-LLVKDONJSA-N 402.407 0.594 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n1 1318714697 VMPUQMSYKHONLV-NVXWUHKLSA-N 406.446 0.956 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H](c2nccn2C)C1 1451306451 NZFMRSCPXBMYRW-QRTARXTBSA-N 417.491 0.995 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CC(=O)N(C)C 1512366213 KMDRVUNEPFEKLG-AWEZNQCLSA-N 420.481 0.738 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)C1 1541990652 KKVXDEFOQHCSQL-RLFYNMQTSA-N 409.512 0.726 30 20 HCED N#Cc1cn(CCC(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c(=O)nc1O 1543619490 ZCLFGDVKLUNDFC-UHFFFAOYSA-N 414.441 0.288 30 20 HCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1554399537 MPIHBZWSOUTQTN-IBGZPJMESA-N 416.507 0.824 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1565466480 XZLYKAZJRYEMSL-UHFFFAOYSA-N 402.517 0.389 30 20 HCED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1618801855 TUYQSNAWSLRUHQ-IRXDYDNUSA-N 423.477 0.815 30 20 HCED COc1ccc(NC(=O)N2CC[C@@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1672600873 DFFZEYYWRCGVAB-SFHVURJKSA-N 424.479 0.598 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1778973500 GLMLANNFTGRGGS-FIKGOQFSSA-N 404.511 0.922 30 20 HCED 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30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1831438112 JKOJVVDUCCVNQU-GHTZIAJQSA-N 409.527 0.520 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)COC(C)(C)C)CCO2)C1 1832314476 RAACRVKUKRURDV-KKSFZXQISA-N 412.527 0.831 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833860433 LSLMKOQFXSYFQE-FOIQADDNSA-N 422.482 0.090 30 20 HCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cc[nH]n3)CC2)CC1 1834715424 DHINOMNMBPZITD-UHFFFAOYSA-N 415.542 0.877 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1834763709 SSQZVUMRWKUQHU-GOSISDBHSA-N 410.377 0.227 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835054034 LOGFBMPIBYNEMO-CRAIPNDOSA-N 421.542 0.043 30 20 HCED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835344818 XCHMMHXQKVSAQL-FQEVSTJZSA-N 400.435 0.464 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352112 OVOHSOWAIQVRBV-JXXFODFXSA-N 407.467 0.336 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1835359020 RPXBKHGAFVRGCC-NRFANRHFSA-N 404.511 0.765 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CN4CCN(C)CC4)CC3)CC2)C1 1835480071 WUTFBUJIMFAUCA-UHFFFAOYSA-N 417.598 0.772 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835518593 NNRDDJMYHQADOD-VGSWGCGISA-N 414.506 0.542 30 20 HCED NC[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccc1 1835811582 CTUBMQJEYGLDOF-REWPJTCUSA-N 411.502 0.599 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1837393119 KITHJZWGVIKQBM-IIBYNOLFSA-N 410.511 0.443 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]cc3C)C2)C1 1837396379 GMPUHWXFMBBFBT-DYESRHJHSA-N 405.495 0.966 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837404920 DDHIKDBSJNYRIQ-HRAATJIYSA-N 405.495 0.710 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1837679335 HWDKSVGBFDIJMD-GLJUWKHASA-N 401.529 0.066 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1 1838018229 AWPGFSZAYSCSGQ-UTKZUKDTSA-N 418.494 0.572 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)cc(OC)c1F)CCO2 1838552858 CANYRVSFYDDBKX-FQEVSTJZSA-N 406.410 0.546 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733246 VSOGXVSNTATPDK-NQYLQCIDSA-N 404.467 0.363 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839228752 NWXVPECNTIDIMI-OXQOHEQNSA-N 411.499 0.549 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839641526 LCYWKFATAOHNSC-YKABMDOLSA-N 420.510 0.495 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N(C)CC)CCO2)C1 1839644057 PAWBBFIUDJGZFE-MAUKXSAKSA-N 403.470 0.994 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1840046852 LOSFFLCGXUJTMO-HRAATJIYSA-N 421.494 0.476 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355893 NKVBZLOHOMWUKN-NRFANRHFSA-N 417.510 0.893 30 20 HCED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843836788 HMYXCLIRCDVTAM-HNNXBMFYSA-N 417.597 0.816 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2ccc(CC#N)cc2)C1 1845412228 KXSMAHUVTIENKF-MRXNPFEDSA-N 400.435 0.634 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)[C@@H]2CCCS2(=O)=O)C1 1845913452 HCROHFORPNZLJV-INIZCTEOSA-N 408.520 0.466 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)[C@@H](C)ON=C(C)C)C2 1846561299 MLGNRNJJEWYFMK-RHSMWYFYSA-N 418.498 0.461 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(CCO)CCO 1847474506 AQCRMHVGIHKCAD-OALUTQOASA-N 419.909 0.180 30 20 HCED CC(C)NC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15037123 ACXMIGQNEKIVDG-CQSZACIVSA-N 407.496 0.487 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCCCc2n[nH]c(N)c2C#N)ccc1Cl 48706327 SIOZMJUXJQNLHD-UHFFFAOYSA-N 404.814 0.991 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 52077440 TYTBBECRMGBCAA-INIZCTEOSA-N 403.508 0.873 30 20 HCED C=C(C)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 427097786 WQVUVBSLODPEJX-UHFFFAOYSA-N 411.480 0.737 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 428989568 CVWDHJDHDKPULR-UHFFFAOYSA-N 424.527 0.775 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)C1=O 440275504 SYDKYTGBJZYZBX-AWEZNQCLSA-N 408.480 0.080 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 440717770 YDLRWJUEOBZOBH-UHFFFAOYSA-N 404.442 0.955 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)Nc3cccc(C#N)c3)no2)cn1 442344775 QKKNSTMRINFBPU-HNNXBMFYSA-N 407.390 0.880 30 20 HCED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H]1CCNC1=O 443252659 RFEBDCCIKAWBEO-CQSZACIVSA-N 400.826 1.073 30 20 HCED COc1cc(F)ccc1N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444585983 KTZNHYYEWOITDY-UHFFFAOYSA-N 400.414 1.232 30 20 HCED COC(=O)c1ccc(F)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446529509 DJOTZZWAGHKGFZ-UHFFFAOYSA-N 406.414 0.625 30 20 HCED COc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1C#N 460603401 FQXVIMFNJXNGRO-GFCCVEGCSA-N 416.459 0.649 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CSCC(=O)N3CCCCC3)CC2)c1C#N 472288958 WYHZERGXZVFMSC-UHFFFAOYSA-N 404.540 0.995 30 20 HCED C[C@H]1C(=O)NCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 472978002 LYLRIRAVDDAHHP-AWEZNQCLSA-N 404.492 0.696 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)n1 477018487 JQYJHIMYSFNMTN-CQSZACIVSA-N 414.487 0.039 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCNC2=O)CC1 480529565 UNWJOTFBAYXXLS-ZDUSSCGKSA-N 405.480 0.241 30 20 HCED COC(=O)C1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 486484806 GJTOICYYSNRVPR-KRWDZBQOSA-N 414.462 0.928 30 20 HCED CN(C)C1CCN(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487427341 JBZYZEZOSMQFNT-FQEVSTJZSA-N 412.538 0.984 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 492297159 UKBJKJFRMAQBMD-CQSZACIVSA-N 406.464 0.532 30 20 HCED CN(CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 509930382 YMXFOFMEQIIFBS-AQFXKWCLSA-N 406.508 0.878 30 20 HCED C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513295944 ZCVXKQWPILGPTP-CQSZACIVSA-N 413.457 0.574 30 20 HCED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 516322122 NYRPPGLGTFKWIP-IBGZPJMESA-N 408.506 0.932 30 20 HCED C=CCC[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)O 517005358 OFSFSJGXJBVZRR-SJKOYZFVSA-N 411.436 0.448 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 540277477 PUOSGCHHWIGOOQ-GOSISDBHSA-N 406.512 0.598 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)n2)c(F)c1 543933552 PBBFFJXLHCKIKF-HXUWFJFHSA-N 410.409 0.950 30 20 HCED CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 544803099 AUQRXFCGJSMLTC-UHFFFAOYSA-N 404.496 0.795 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c([N+](=O)[O-])n1 549915912 MZSNSIOAKKMULO-NSHDSACASA-N 406.428 0.372 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCOC2)CCO1 559212760 RUMFYLBHBSAQST-WMLDXEAASA-N 407.438 0.686 30 20 HCED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 568813536 SLDSRBKXJCMKES-UHFFFAOYSA-N 409.494 0.777 30 20 HCED C[C@H]1CN(CCOC2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C[C@@H](C)O1 577525514 MZKGVWYEPUPAER-IYBDPMFKSA-N 405.503 0.450 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1F 578563911 XMKDSPJHTASBNI-UHFFFAOYSA-N 411.441 0.754 30 20 HCED CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 583600324 WPNRYFRZIAROEE-INIZCTEOSA-N 400.487 0.751 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC(CNS(C)(=O)=O)CC1 588278842 SPNNEFBUVJMZKH-UHFFFAOYSA-N 417.495 1.241 30 20 HCED CN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(C2CC2)C1 588866254 JMIZMFXLRKRZRY-MOPGFXCFSA-N 409.490 0.865 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 590910247 PRTUQOXFMDOARZ-UHFFFAOYSA-N 419.890 0.993 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 603117046 OVSBSYHPTCKPCS-UHFFFAOYSA-N 405.466 0.871 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 603756719 GLLIBQSQYYYBMG-UHFFFAOYSA-N 401.510 0.307 30 20 HCED Cn1cccc1C(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603809913 IQDPPGSENPDMDF-UHFFFAOYSA-N 414.487 0.796 30 20 HCED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c(C)s1 604460206 KMSWXJBOQGOSLX-UHFFFAOYSA-N 406.555 0.762 30 20 HCED N#Cc1ccc(CC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 609522166 TUBISAGDLSMYMQ-IBGZPJMESA-N 405.520 0.839 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2ccn(CCC#N)n2)cc1 611645203 YQSRJNZWHHRCIT-CJNGLKHVSA-N 419.463 0.568 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)cc1 612268128 LZFPYLLNQAAIID-HXUWFJFHSA-N 400.435 0.609 30 20 HCED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@@H]2CCOC2)c1 619858701 QQJRENZFRWYLDP-DOTOQJQBSA-N 421.461 0.000 30 20 HCED C=CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403057 IRUDVNSAFZAOKG-ZJYNUGOYSA-N 422.532 0.989 30 20 HCED C[C@@H](NC(=O)OCc1ccccc1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910315 OHXXGXOCWQADKA-HIFRSBDPSA-N 407.448 0.267 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1CCOC 736585599 UWUZRBWSXLRHET-UHFFFAOYSA-N 406.533 0.659 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 740685946 NPUIPKAFZPXXEN-UHFFFAOYSA-N 415.855 0.500 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c1 746455390 SLWFPQHFWHNIGG-UHFFFAOYSA-N 403.420 0.017 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)cc1 746936228 BOADSHWDWOYTFZ-KRWDZBQOSA-N 421.475 0.815 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)[C@@H](C#N)C(=O)NC1CCCC1 750316035 OGEVKSYTFDHJGQ-OAHLLOKOSA-N 407.438 0.632 30 20 HCED CCc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)s1 752195656 ZITRIJYATLCPRF-UHFFFAOYSA-N 404.517 0.357 30 20 HCED C=C(Br)CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 765711001 ZJZYTLUUMGEVAO-UHFFFAOYSA-N 406.306 0.653 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1 766804099 IZAJRFNEHAMCOM-UHFFFAOYSA-N 402.451 0.706 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cn1c(=O)n(C)c2ccccc21 766988079 JHWMPNFJYZSISY-UHFFFAOYSA-N 400.416 0.725 30 20 HCED CSCCNC(=S)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 769603344 XSZHGZMGZYYOQS-UHFFFAOYSA-N 406.537 0.692 30 20 HCED C=CCNc1ncc(C(=O)OCCCn2c(=O)c3c(ncn3C)n(C)c2=O)s1 770119350 QDSZIYATHNKAGY-UHFFFAOYSA-N 404.452 0.735 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)[C@@H]1CCCO1 773058335 TYCZDBVAPQAJNE-YEWWUXTCSA-N 407.448 0.209 30 20 HCED C#C[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 775793807 FIPZHKCKTKQEHW-MSOLQXFVSA-N 407.492 0.416 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780212777 BFABHXFZPAAGTG-KRWDZBQOSA-N 419.415 0.430 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 783015070 VLJBRUKMXHHYGM-UHFFFAOYSA-N 407.436 0.200 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1CCOC 783941188 BGZFQKQXCLMBRH-UHFFFAOYSA-N 408.483 0.662 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NC3CCC4(CC3)OCCO4)CC2)nc1 787422357 VQVNKHNYIJKHHA-UHFFFAOYSA-N 413.478 0.840 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CCCO1 793933990 GQLBMCMBBNZKNP-SJORKVTESA-N 414.458 0.877 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 796183829 GKFAWDIWSUDGAJ-UHFFFAOYSA-N 418.468 0.828 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 800787969 RUYMPEWWQYUTSA-AWEZNQCLSA-N 414.532 0.989 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)cn1 801293407 XOUHAGYESYCBSF-SFHVURJKSA-N 421.461 0.792 30 20 HCED COC[C@@H](C#N)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801507578 MQGHMISGMOQBHL-CQSZACIVSA-N 413.427 0.374 30 20 HCED C#CCCCNC(=O)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 806915625 LGHAGANRSRWJHZ-UHFFFAOYSA-N 410.272 0.426 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CC1 807104039 ZHZDYXUDPSMPEZ-UHFFFAOYSA-N 401.511 0.124 30 20 HCED COC(=O)N1CCC([C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 807831310 CCCNJAWLRPBOEV-ZDUSSCGKSA-N 402.455 0.464 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCO[C@]3(CCSC3)C2)n1 809496874 YKSBKRZVKBFCTJ-OXJNMPFZSA-N 420.535 0.662 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 810781014 ZZFXWRLZTDKLST-KBPBESRZSA-N 414.505 0.567 30 20 HCED CC(C)S(=O)(=O)CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 811556900 PONSKXHJYCARGH-GFCCVEGCSA-N 401.510 0.443 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1COCCN1CC(F)F 816129964 TZUBWXLABGXZCB-LLVKDONJSA-N 404.351 0.237 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)ccc1F 914463065 NVLOTEMPCDOTQW-CYBMUJFWSA-N 404.485 0.939 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NN=C1NS(=O)(=O)c2ccccc21 914599543 FSJBRNBWBMJNFS-CYBMUJFWSA-N 421.504 0.932 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCc2c1cnn2CCO 915653871 KLGLUCMYGKQXAQ-CQSZACIVSA-N 403.464 0.108 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1OC 916934384 GEGDTMBSALAOQK-GFCCVEGCSA-N 410.390 0.495 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2cc[n+]([O-])cc2)CC1 918827756 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0.521 30 20 HCED N#Cc1cn(CCC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)c(=O)nc1O 1465681912 JEONCCSEHSYGQA-UHFFFAOYSA-N 423.473 0.904 30 20 HCED CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1510224465 SSLPWEVMDXKTNS-XEZPLFJOSA-N 400.505 0.024 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1521056615 OMPSRNRZBRAHOH-SUMWQHHRSA-N 410.475 0.391 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1570695371 QTSGGWGIQUDOEJ-KHYOSLBOSA-N 407.492 0.975 30 20 HCED C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1611551408 NLMRMQHJVBZPHW-NVXWUHKLSA-N 423.525 0.773 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1618449042 YEWNWVKRUQGYIL-LSDHHAIUSA-N 404.496 0.837 30 20 HCED C[C@H](C#N)N(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CC1 1620108989 WDMSKFVQPANHEQ-OAHLLOKOSA-N 406.508 0.700 30 20 HCED CN1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@H](CO)C1 1647810355 SCGNZWUGIDSBBS-DLBZAZTESA-N 415.538 0.964 30 20 HCED N#CC[C@@]1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1664672967 NZLKRFVETLLWOR-QGZVFWFLSA-N 413.521 0.900 30 20 HCED CCc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)no1 1694590070 YCYVZDIXZXCBTI-YVEFUNNKSA-N 423.474 0.810 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)CCO1 1712884572 OJNACHCIDAUVBW-MRXNPFEDSA-N 417.495 0.028 30 20 HCED Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1761933292 OXRSIKRSUQRNBR-IBGZPJMESA-N 416.507 0.938 30 20 HCED N=C(N)SCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359405 MHKLRPCKBMGNMS-NGZPXXNWSA-N 424.571 0.599 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779444900 UVIHWIQZFBHLPN-ALJOKYGRSA-N 418.494 0.737 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062852 VHNDWULPWLJBQJ-VFNWGFHPSA-N 411.462 0.745 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccnc4c2OCO4)CCO3)c1 1780334340 BBNDRYKVHYPDCH-FQEVSTJZSA-N 409.402 0.767 30 20 HCED 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30 20 HCED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1822388904 FHIBGIJKQHBUOA-AWEZNQCLSA-N 411.399 0.930 30 20 HCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)sc2C1 1823018744 WJNCHEPGOPMUJY-YPMHNXCESA-N 422.507 0.964 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825184535 SGYAPPJKICBCQE-LLVKDONJSA-N 408.480 0.830 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)n3cnnn3)sc2C1 1826970802 FPFJYEOHYOPNSJ-UTUOFQBUSA-N 403.468 0.341 30 20 HCED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1828965204 INOMENPGWXDQNO-ZWKOTPCHSA-N 404.511 0.560 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]cc3C)C2)C1 1829766115 MKPCVAXUJVIXHZ-NYPGBQQYSA-N 416.478 0.252 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1829864933 PJBOILJKRZFTPA-JXFKEZNVSA-N 406.483 0.051 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829873142 CEHJEHBXYNTMIC-DYESRHJHSA-N 409.527 0.112 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1829899317 WQIGKYXVAZCQHX-HSZRJFAPSA-N 407.470 0.971 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830619368 XAZDBESEETWYDD-REWPJTCUSA-N 414.502 0.902 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)C(C)(C)C)CCO2)C1 1830626102 HJZKJMJCYMBIRT-MRUHUIDDSA-N 412.527 0.423 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1831421020 DDVVHCIVGKIPCM-AUUYWEPGSA-N 410.446 0.518 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1831431222 BKSAXAGKGCGHRC-KKSFZXQISA-N 421.494 0.822 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn(C)c3=O)CCO2)C1 1831880662 BQYRWIRADSKVMJ-KKSFZXQISA-N 419.478 0.046 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833147123 MQWOBXRYVGNRIT-MRXNPFEDSA-N 406.531 0.555 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1833465725 QQXYPBUERYIHSF-MRXNPFEDSA-N 401.511 0.562 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833821445 WRAXVCSEPSHKLT-IBGZPJMESA-N 422.507 0.602 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1834114664 BYXCKQQJDQMAJU-OAQYLSRUSA-N 420.510 0.781 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435619 YPUXWZNUMLKWAF-CIPMJJFUSA-N 421.523 0.685 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682194 BOIPYAOLFNKIBI-UTKZUKDTSA-N 406.527 0.937 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](CN)c3ccccc3)CCO2)C1 1835807420 NQHADFKDTHCELE-GCJKJVERSA-N 414.506 0.735 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1837403906 VZJMGCNHSUXMKZ-LLGFUMIMSA-N 411.543 0.356 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)CCC1 1837800207 ZXCUYEDIHJGONW-SFHVURJKSA-N 418.410 0.082 30 20 HCED Cc1ccncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736221 RGFQWWKXDKPPCU-OAQYLSRUSA-N 409.446 0.974 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1C 1838987813 GUZGZGWPUXCUPU-OAQYLSRUSA-N 416.430 0.162 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(NC(=O)OC)c1)CCO2 1839246302 FZEQMKCDJPVIOD-FQEVSTJZSA-N 401.419 0.568 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839637790 UDLNXURRLKWJBJ-NQIIRXRSSA-N 411.543 0.766 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989363 YRAANZZJGUSFDV-UGSOOPFHSA-N 417.528 0.286 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@H](C(=O)OC)C1)CCO2 1840148899 YRTCMMPWJLIKGA-FIKGOQFSSA-N 408.495 0.998 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840161634 WKMCMKDWHAYAAJ-AUUYWEPGSA-N 404.492 0.723 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840357258 QQPOSDIJOHVSFL-GOSISDBHSA-N 409.512 0.044 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840489100 JVOMRJUTXZSPID-KKSFZXQISA-N 400.479 0.622 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncc(O)c4)C3)C2)CCC1 1840816445 SWQAVJAZDYATPQ-HXUWFJFHSA-N 400.435 0.551 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840823747 CPJRIYUNLBSKRF-JLSDUUJJSA-N 400.422 0.526 30 20 HCED O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)C/N=C/c3ccco3)C4)cc21 1843998913 HJLQGRDBTCXSCE-SSDVNMTOSA-N 424.461 0.546 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)c1Cl 1844736439 ZZVPWRZCGHULDK-UHFFFAOYSA-N 412.833 0.954 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)cc1 1844928123 RKNDNMGVDUHJCG-UHFFFAOYSA-N 404.430 0.629 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)N1CCCC1 1848053412 GMAOHTFYYPBKHH-IRXDYDNUSA-N 403.527 0.873 30 20 HCED C=CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 48619472 VYERDVSYAMMGBG-UHFFFAOYSA-N 408.462 0.609 30 20 HCED Cn1c(=O)[nH]c(=O)c2[nH]c(CCC(=O)N3CCCN(c4ccccc4C#N)CC3)nc21 63810221 GKJQOAZWKRSMAX-UHFFFAOYSA-N 421.461 0.493 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 109411189 AEVDCYKMMKFUTP-LJQANCHMSA-N 403.442 0.867 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 110438784 YQVFUCWSZZSZFY-MRXNPFEDSA-N 408.524 0.468 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 428205137 KLLPBONQMBOBFH-UHFFFAOYSA-N 421.435 0.119 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 430371795 AADPZXXTKRBDFY-FXAWDEMLSA-N 420.554 0.677 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 434551073 ZYDMWMIVFOQUGU-MRXNPFEDSA-N 420.451 0.030 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCO[C@@H]3CCOC3)CC2)cc1 464754127 VQPITUNHVHCKTC-QGZVFWFLSA-N 422.507 0.770 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 465182647 GNZBQFCTOCHKJF-HRCADAONSA-N 410.478 0.951 30 20 HCED CC(C)OCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 470222215 FLWLXRJENJSSNI-UHFFFAOYSA-N 408.524 0.748 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCCC)CC1 471011476 ZSECIYUVZLHVBY-UHFFFAOYSA-N 406.458 0.999 30 20 HCED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)c1C#N 472155895 MGLVAPFJRDVJQI-NSHDSACASA-N 401.393 0.499 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc([S@@](C)=O)cc3)CC2)c1C#N 472861245 WGNGKBMBQDTQSI-GDLZYMKVSA-N 414.491 0.625 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)CC2)c1C#N 472869554 AOEVQSWRYLVKTB-UHFFFAOYSA-N 407.434 0.382 30 20 HCED COC(=O)c1cn(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 474336377 HAUJWBNOWBGTPE-UHFFFAOYSA-N 411.378 0.533 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1 476278796 RLASIPKXGBUIHQ-JCYILVPMSA-N 411.462 0.919 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N2CC(O)(CC#N)C2)cc1 476826436 REQDZNTWCMDWKO-DOTOQJQBSA-N 421.519 0.595 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 479773104 VWGYPJIITKAVKW-NSHDSACASA-N 408.461 0.511 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(OCC(N)=O)cc1 480115448 WOYPXLKKKLVOGV-LBPRGKRZSA-N 402.432 0.728 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1cccnc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 480611931 PIOBOIVBRXLHQE-KRWDZBQOSA-N 417.495 0.452 30 20 HCED CO[C@@H]1C[C@H](c2nc(C)no2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 489828619 ICYNZQRYKOYPPW-GDBMZVCRSA-N 419.463 0.859 30 20 HCED Cc1ncc(S(=O)(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1C#N 489901000 QAHXCCNNANHCPN-AWEZNQCLSA-N 401.514 0.201 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 503225897 NBRDICADRNMNOQ-NVXWUHKLSA-N 419.507 0.777 30 20 HCED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)N1CCC1 506894548 MUBPHTBZYJEVQS-HNNXBMFYSA-N 404.448 0.983 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)c3cccc(OC)c3)CC2)C1=O 508540727 GODJZPACLVZEOE-HNNXBMFYSA-N 414.462 0.877 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 509016623 NYBNOIJAJFQQSU-UHFFFAOYSA-N 424.339 0.524 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 509725643 FYRPDNLTJWOBFF-QWRGUYRKSA-N 419.912 0.429 30 20 HCED C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 513322342 SBTAAGUKXODLIY-WQGACYEGSA-N 410.409 0.947 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)S1(=O)=O 519729476 DYNCXKKPQNXSCP-VXGBXAGGSA-N 402.436 0.111 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC[C@@H](C)C#N)CC2)cc1 531964305 SEWPGYYQBJJWLR-HNNXBMFYSA-N 422.507 0.584 30 20 HCED C=CCCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 550211840 MTYBKEIKMHLRMX-UHFFFAOYSA-N 423.535 0.973 30 20 HCED CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 551446677 GYOZUNCTSKOWKG-UKRRQHHQSA-N 400.439 0.352 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 557474502 QHSLBBBSXFMYII-ZDUSSCGKSA-N 402.432 0.903 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 557497276 IBAGYPMTCJDCRE-PBHICJAKSA-N 422.507 0.321 30 20 HCED C[C@H]1CN(c2cc(N3C[C@@H](C)O[C@@H](CO)C3)c(C#N)cc2[N+](=O)[O-])C[C@H](CO)O1 557660809 PEWPKIHKINGQJC-OCVGTWLNSA-N 406.439 0.638 30 20 HCED Cc1nccn1CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 559759380 CCUFIVQEEZBCEI-GOSISDBHSA-N 408.462 0.487 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OC 568493418 SYOIFISLHOXYOS-SFHVURJKSA-N 410.492 0.656 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1cncc(C#N)c1=O 578700667 AXYKHEZJJRNHIV-UHFFFAOYSA-N 401.448 0.345 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2cccc(C)c2)CC1 579160336 UNNUDGKVTWLNGQ-QGZVFWFLSA-N 402.495 0.325 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CC1 588107330 NOAOZKKWTDXDER-CQSZACIVSA-N 417.466 0.242 30 20 HCED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 589135400 CZVBSPYMLOLMEI-UHFFFAOYSA-N 406.508 0.550 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2C2CC2)CC1 590998598 BLSPUAOZQTZNSS-UHFFFAOYSA-N 412.515 0.813 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3F)c(=O)n2C)CC1 603924510 LLCAIVSZQMULOA-UHFFFAOYSA-N 418.469 0.392 30 20 HCED CN(C)S(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 608889997 TYMUTXREZMKTBK-UHFFFAOYSA-N 400.460 0.855 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 609413370 JAKAKAZJCABEEY-CQSZACIVSA-N 410.521 0.790 30 20 HCED CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617122630 IONGTZSPJQCTDH-IRXDYDNUSA-N 404.492 0.589 30 20 HCED NC(=NOCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1 727486177 OCJKUCDBKRHQHO-UHFFFAOYSA-N 408.505 0.918 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCc2nc(O)c3ccccc3n2)CC1 729256998 QDHFLYCMUQOFDX-UHFFFAOYSA-N 409.490 0.942 30 20 HCED CN(C)C(=O)COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732417140 QNNOVJFDRTXDJU-ISLYRVAYSA-N 401.423 0.802 30 20 HCED Cc1cccc(-n2nnc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)c1 732910783 VAAYHCSORNDOJY-OAHLLOKOSA-N 401.448 0.464 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 733310213 AOFNTFOBDZYDOK-JSGCOSHPSA-N 403.464 0.525 30 20 HCED C#CCSCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 739826454 UWHRFGIAJHSMCF-UHFFFAOYSA-N 409.533 0.636 30 20 HCED C[C@H](C(=O)OCC(=O)NCc1ccc(C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442880 LYRQSEVNZIRFCH-BBVCAZISSA-N 411.414 0.269 30 20 HCED C#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 746191915 SCPKJHNNGLRAOM-UHFFFAOYSA-N 407.492 0.309 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccon2)c1 747798900 GZWJRLJTXFLEHI-QNGOZBTKSA-N 405.436 0.742 30 20 HCED C[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749743500 MQDBJLSHYVRZMP-ONVNGOMYSA-N 410.496 0.571 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](C)(O)C2)c1 749774217 OKMOVIBUGCNHRD-XTFSCAMASA-N 408.480 0.421 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)CC)CC2)c1 755521251 QXXYWXZJUQLXGK-UHFFFAOYSA-N 407.492 0.815 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 755550557 WREXLXOIQSUCDF-YPMHNXCESA-N 419.438 0.625 30 20 HCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C2CC=CC2)C1=O 759696128 GUSJKJTVFYARSP-XAIYEJPOSA-N 422.532 0.989 30 20 HCED C[C@@H](OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)N(C)CCC#N 767535876 CIYQOQYMIVUTGP-MRXNPFEDSA-N 401.467 0.814 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1 771070463 DGUQZNRSBUDATB-UHFFFAOYSA-N 401.466 0.622 30 20 HCED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCO[C@H](C#N)C2)C1=O 771468489 MMDYWDQANXSPSS-CXAGYDPISA-N 421.251 0.967 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(OCC(F)F)cc2)c(=O)n(C)c1=O 771898309 WRZJWLPNOQSPJG-UHFFFAOYSA-N 402.379 0.040 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 784317461 HQAZPAOJWZLYMH-UHFFFAOYSA-N 415.462 0.776 30 20 HCED CCOC(=O)c1cnn2c(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)ccnc12 784486156 KTZLQUWPKAJHGL-UHFFFAOYSA-N 407.346 0.883 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1 785642694 ICFSANZKKVXXAR-UHFFFAOYSA-N 418.450 0.679 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@H]1CO 786012632 WMPHCUOEUAVKME-WIAOGZMSSA-N 422.507 0.667 30 20 HCED COC(=O)[C@@](C)(CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 787522320 XHLGJMGFMMDPTE-FQEVSTJZSA-N 415.471 0.972 30 20 HCED C#C[C@H](NC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)N[C@H](C#C)[C@@H]1CCCO1)[C@H]1CCCO1 791138654 GWNKBEBSLVVFCZ-NOULKFBDSA-N 414.502 0.812 30 20 HCED Cc1c(Br)c(C)n(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(=O)c1C#N 791171262 NOQFWXQRFZJLAB-JTQLQIEISA-N 402.270 0.994 30 20 HCED Cn1cc([C@H]2CSCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 791378104 ONVXWCHUTQSBDZ-CQSZACIVSA-N 405.505 0.775 30 20 HCED C#C[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1F 796087364 OTWSXPYSYDLCHP-CQSZACIVSA-N 409.892 0.565 30 20 HCED C#C[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 799047429 ZANQVJFXKZBMDZ-LSDHHAIUSA-N 423.491 0.144 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c(F)c1 802562334 KIYMUZOGNCWZFG-UHFFFAOYSA-N 408.386 0.374 30 20 HCED 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O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cnncc2C(=O)O)n[nH]1 1819762674 OZBWOBLPMLKKSS-ZDUSSCGKSA-N 412.362 0.292 30 20 HCED CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)nn1C 1820971409 BTMCLKBFKVUXRB-SNVBAGLBSA-N 401.448 0.753 30 20 HCED C#CCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1823418384 RIKXVZDPSVJOTE-MRXNPFEDSA-N 421.523 0.546 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CC(=O)NC)CC1 1824431842 KRJVXXMDGTUXGG-ZPUOCTKUSA-N 404.511 0.601 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cccnn3n1)CC2 1825667892 ZRPDTRSGPBBQCO-SNVBAGLBSA-N 410.415 0.500 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCO3)CC1 1828614803 KMXZUAGNVKZPTL-QGZVFWFLSA-N 414.462 0.987 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1829789261 UHILQJNCUBUCOI-OAQYLSRUSA-N 409.527 0.961 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1831402883 UBNLSNMJIVOOLT-MBOZVWFJSA-N 410.536 0.624 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1831896164 KEQALOPYDTWKIA-YWZLYKJASA-N 407.442 0.882 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1832462825 WNXHMAUVWXOZGD-MAUKXSAKSA-N 409.512 0.215 30 20 HCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n1 1833339209 GYEWPMBAHRMUEX-DJJJIMSYSA-N 422.507 0.428 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)c3cnnn3C)CC2)CC1 1833471286 KLXLGNLAWKGWEJ-UHFFFAOYSA-N 418.542 0.983 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833485613 WBQGOMVRLXXDEQ-UONOGXRCSA-N 419.613 0.557 30 20 HCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1833492384 RVMZYKHCQLWHMF-SFHVURJKSA-N 401.573 0.521 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1833867657 UEMYDPKLDBRAGM-FQEVSTJZSA-N 421.519 0.375 30 20 HCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835075804 PYVWLOAXOQSILX-UHFFFAOYSA-N 402.455 0.377 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335592 MBPSLPGZOFKLGB-CXAGYDPISA-N 408.417 0.968 30 20 HCED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835342729 NNERYGHWIKCMAS-JOCHJYFZSA-N 413.474 0.998 30 20 HCED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c(C(F)F)n1 1835357013 FTQSCHRUTXJOQM-SFHVURJKSA-N 411.409 0.731 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]nnc3C)CC2)CC1 1835712783 CTNOLRBZYKXULY-QGZVFWFLSA-N 418.542 0.871 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cnnn3C)CC2)CC1 1835713728 MABVNQLZWNDGAJ-GOSISDBHSA-N 418.542 0.573 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508164 NPMIRUFAKKGWAN-IBGZPJMESA-N 419.438 0.582 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@H]1C)CCO2 1836740884 FWSKUMNHFDELHK-MMBJZUBHSA-N 419.522 0.737 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836972273 UHFPFRUTUUNVFF-KKSFZXQISA-N 418.494 0.948 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837284326 UMQKNTMWKXSJHJ-BZLDKRAPSA-N 402.495 0.087 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1837392314 CRFPJCVICMYVOQ-FIKGOQFSSA-N 409.527 0.110 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1837394404 AAOPMHVZYMPSEI-HRAATJIYSA-N 421.494 0.935 30 20 HCED CC(C)NCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441723 AYMKECBSRAWUJB-VSIOZEBNSA-N 423.558 0.303 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)N1CSCSC1 1837570296 KFJGYVDTPJXFCR-RHSMWYFYSA-N 414.553 0.399 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837679337 HWDKSVGBFDIJMD-LBTNJELSSA-N 401.529 0.066 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838109161 CTIHUMWPZVJNHS-SCLBCKFNSA-N 410.427 0.251 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)cc1 1838952275 LRTMYGCOWPKAAH-JYLXEMOASA-N 411.458 0.521 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1839225358 HCTVKCUUPHITNO-WOCWXWTJSA-N 411.499 0.811 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839710222 HBWYJXIBRUNTFR-GPMSIDNRSA-N 422.486 0.096 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1)C(F)(F)F 1839891817 ZLFYJBVQIOPMRH-YOEHRIQHSA-N 405.417 0.656 30 20 HCED CC(C)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)CC1 1839976660 LWAQVDZZICOVQX-JBYIUTFZSA-N 420.506 0.993 30 20 HCED CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840041381 KBFMHFRSFPOYQI-AVRDEDQJSA-N 414.458 0.725 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1840166049 SELMFZSJDLDGDV-YZVOILCLSA-N 409.508 0.624 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840171881 FXQPDIRXYJMDCE-CQSZACIVSA-N 412.336 0.374 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840594537 ZQOKRCNTINJGGI-IIBYNOLFSA-N 410.511 0.321 30 20 HCED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840812693 GBKSPSOELFGBMO-FQEVSTJZSA-N 415.450 0.249 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4)C3)C2)CCC1 1840812943 TZDYCYVEDUUKST-NRFANRHFSA-N 404.511 0.623 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814405 HTWBPLVDYTVMCQ-OXQOHEQNSA-N 416.482 0.064 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO3)C1 1840850127 MHZMCUBUIJOOSZ-WIYYLYMNSA-N 407.511 0.714 30 20 HCED CS(=O)(=O)Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C3(C#N)CC3)C2)cn1 1842807692 GSVLYZRVYVJGSY-UHFFFAOYSA-N 402.476 0.747 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)CCC#N)C2)C1 1842813807 FCVOFSZUGPDZHN-CABCVRRESA-N 406.483 0.721 30 20 HCED N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1842909186 VGYCEBKPFVBYML-SNAWJCMRSA-N 401.492 0.530 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1843386882 YJOZJQKPMNOZDQ-KYBWMHIFSA-N 415.494 0.684 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1-n1nccn1 1847262062 FELDDTCQKRCDJT-XSAZBNQGSA-N 420.473 0.941 30 20 HCED C[C@@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccc(C#N)cc1 26127121 ZEOLZSWCDFUYGV-LLVKDONJSA-N 400.416 0.991 30 20 HCED C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29254506 MHPVCHDYHBKDMD-DZGCQCFKSA-N 400.483 0.658 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cnc2n(C)c1=O 31400453 WZEGRRNAZHHLDB-UHFFFAOYSA-N 422.420 0.605 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 410154305 MQOPHCGMRIFPEG-DZGCQCFKSA-N 418.516 0.905 30 20 HCED CCOC(=O)c1ccn(-c2cccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)c2)n1 410421539 SNNTUBDANOOFLV-MRXNPFEDSA-N 419.463 0.608 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 437509048 SMOSOEURCVGOED-ACJLOTCBSA-N 401.467 1.088 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)ccc21 440164206 XCZSKRDWEJZENF-SJLPKXTDSA-N 423.473 0.945 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 446720738 XFVFNWPFTJRBRE-UHFFFAOYSA-N 404.515 0.311 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)CC1 448480311 YKAMTYQOPRSOKC-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCCN2CCN(c3ncccn3)CC2)c(F)c1 467138334 VVBXCJWXOYPTTJ-UHFFFAOYSA-N 408.434 0.727 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 468963985 NKZDSLAQSCDAMO-AWEZNQCLSA-N 421.479 0.852 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1 476518818 PUPOLUQDQMZVIL-UHFFFAOYSA-N 412.284 0.956 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 481778889 LPXULZAKKGYJIU-SJLPKXTDSA-N 419.551 0.463 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 484110619 NSYAZPVBMWXAGN-IBGZPJMESA-N 423.521 0.915 30 20 HCED CNC(=O)Cn1nc(NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1C 503993073 ZFQYZXXSXQRUQB-XCLFUZPHSA-N 407.434 0.815 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)c3cccc(Cl)c3C#N)cn2)CC1 505300371 SXVAIMWVCFSDNN-UHFFFAOYSA-N 422.898 0.983 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 505762811 LLPNEOVSKDYKSP-UHFFFAOYSA-N 407.562 0.204 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 509016119 MJFASZUYLGZPJN-UHFFFAOYSA-N 403.402 0.833 30 20 HCED CN(C[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1)S(C)(=O)=O 509113202 RPTFEOSPFOXLOX-LBPRGKRZSA-N 416.481 0.759 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 513630774 SKAZUZPNXKZRRL-KBPBESRZSA-N 409.512 0.493 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)C1=O 519104634 JIOHAPXJMSZJAQ-CQSZACIVSA-N 414.466 0.687 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 519440598 NIPRZDJLHYMYRR-CYBMUJFWSA-N 410.521 0.981 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCO)CCOCC(F)(F)F 533806247 SLZCROHNEDVEKL-GFCCVEGCSA-N 423.413 0.625 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 535318448 TXKNXZLDUOZBHZ-MRXNPFEDSA-N 408.549 0.828 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 540348995 ILUFIDXQFXODNS-HXUWFJFHSA-N 412.538 0.600 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3nc4ccccn4c3C#N)CC2)C[C@@H](C)O1 541113997 ADDBOJCXXWZKNM-GASCZTMLSA-N 404.496 0.682 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O 542097872 GKHOAFUUYSOHOJ-YVEFUNNKSA-N 416.434 0.896 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)CN1CCOCC1 543218582 OFPOSCJSXBJQQS-OAHLLOKOSA-N 404.467 0.606 30 20 HCED CN(C)C(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548697835 HSOZHWWRUXULRI-UHFFFAOYSA-N 404.452 0.621 30 20 HCED N#CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 553650532 LLUCDAUSDFFXSH-UHFFFAOYSA-N 408.358 0.010 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CCN1Cc1ccccc1 554698982 JKKLSTIMGFCYFV-RBUKOAKNSA-N 400.479 0.535 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 558419096 HRHOOBKCCMZZCR-HNNXBMFYSA-N 409.508 0.659 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)c1 561283756 AVYLJHTYUQXFQC-QGZVFWFLSA-N 420.477 0.177 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 561561027 KFGJOHPZNVMURG-CHWSQXEVSA-N 406.555 0.827 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cnc(OCCCOC)cn3)no2)C1=O 562119598 IFCTVLYJLZXKAB-UHFFFAOYSA-N 402.367 0.419 30 20 HCED Cc1cc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 563702437 IXAVHPCPAUBPRR-UHFFFAOYSA-N 403.464 0.477 30 20 HCED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 572533643 RYBOGMILDORFOD-ARFHVFGLSA-N 421.461 0.841 30 20 HCED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 574181107 SPZPMCZCQNKFRF-DOTOQJQBSA-N 406.508 0.500 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 576311485 MEJUDBHIDVLWRI-RDTXWAMCSA-N 416.478 0.661 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCCO1 576495801 QMAUIFTZEOWCMG-GOSISDBHSA-N 413.522 0.824 30 20 HCED Cc1cccc([C@H]2C(=O)NCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 577746956 MSXOOVNTJCRZFT-FQEVSTJZSA-N 422.489 0.985 30 20 HCED N#C[C@@H]1N(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC[C@]12CCCCO2 584272064 XAUJUFKJAFRXFT-MAUKXSAKSA-N 404.448 0.832 30 20 HCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585769544 FSMQECLVFQUELE-CQSZACIVSA-N 400.483 0.459 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC(CC(=O)NC3CCCC3)CC2)CC1 588128869 PPYFYSHONBTGJL-UHFFFAOYSA-N 403.527 0.778 30 20 HCED Cc1nsc(N2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)c1C#N 589611817 DQGVBGIRHFWHHQ-UHFFFAOYSA-N 400.530 0.483 30 20 HCED COC(=O)c1ccc(C(=O)NCC#CCNC(=O)c2ccc(C(=O)OC)n2C)n1C 590325035 YLVUXSXRGUEFOG-UHFFFAOYSA-N 414.418 0.100 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 618880935 SOWGWXASQNOGPU-QGZVFWFLSA-N 422.445 0.356 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 619645989 TUINUULGPPYWNL-QGZVFWFLSA-N 402.451 0.932 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 619709904 FOKOLXIHYOCLKU-KGLIPLIRSA-N 418.397 0.869 30 20 HCED C=CCN(C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 669730208 CBQXEBMWEWZSRP-HNNXBMFYSA-N 408.480 0.369 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC(=O)N(C)C)CC1 669805767 FUSWXCXUUIITKP-UHFFFAOYSA-N 417.539 0.666 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H](C)c2ccccc2OC)C1=O 726042783 MOXPRZGNINTKIE-LBPRGKRZSA-N 403.391 0.392 30 20 HCED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1Cc1ccccc1 732909129 ZCSVBAKHZZYSQN-MRXNPFEDSA-N 400.460 0.819 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)[C@H](C#N)C1 757604054 KTOQEDJYGZJBMH-QMTHXVAHSA-N 412.443 0.962 30 20 HCED C[C@H](CC(=O)NCC1(N2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 765698690 PVFNPPGMZBDYOE-CQSZACIVSA-N 406.508 0.485 30 20 HCED CN1CCC(C#N)(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 772390353 UAZVIBOVNDQCJW-UHFFFAOYSA-N 410.471 0.564 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 780769273 DTDOFQSLRNQGCD-UHFFFAOYSA-N 407.389 0.900 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)NC2(C#N)CCC2)C1=O 784237657 UAYICRAUITWKTQ-LJQANCHMSA-N 414.418 0.568 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(C#N)c1C 785661126 XWQOOWMKMFRAIX-OAHLLOKOSA-N 418.450 0.431 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 793196981 LLSZNGCSNJGKGL-UHFFFAOYSA-N 413.477 0.071 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 799288275 YAZWLFHUMQMREQ-KRWDZBQOSA-N 421.519 0.936 30 20 HCED CCOC(=O)CON=C(C(=O)NCC1(S(C)(=O)=O)CCCC1)c1cc[nH]n1 804697958 XGKUVEKSCFAHSG-UHFFFAOYSA-N 400.457 0.167 30 20 HCED C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NC1CCN(CC#N)CC1 805058768 ZJTRSMOKOVTNAT-HUUCEWRRSA-N 407.515 0.852 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCc3c(C)noc3C)CC2)c1C#N 806484731 HCEXPKUVCVIRMV-UHFFFAOYSA-N 413.482 0.603 30 20 HCED C#CCCCNC(=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 806913125 QPLGUGPNXBNETG-UHFFFAOYSA-N 417.462 0.526 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1 807298587 FAOKWQHHFSETSY-HNNXBMFYSA-N 407.492 0.767 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2C)c1=O 838172465 FYFQWZZJJOUTML-OAHLLOKOSA-N 415.515 0.519 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 880447373 FCUHNEPTMZCNQK-UHFFFAOYSA-N 410.459 0.341 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 888601215 QYVZMYJCEXSYBM-LBPRGKRZSA-N 411.436 0.111 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC 916922106 CDKVHSHMFFRYAB-CQSZACIVSA-N 401.379 0.876 30 20 HCED N#C[C@@H](C(=O)NC1CC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919666990 PPSYKWAYQQBDCD-DZGCQCFKSA-N 417.443 0.611 30 20 HCED C=CCCn1cc(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 944693696 ADARLUDWYFJQDM-KJFNJWSJSA-N 401.467 0.235 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1122707761 NEGMSHPNUBBBGA-MGPQQGTHSA-N 419.459 0.378 30 20 HCED CN1CCN(Cc2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)s2)CC1 1148393281 VIRHZMFMJYWVIW-UHFFFAOYSA-N 402.480 0.059 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)c1C#N 1189272793 NPWSVEWOLVECTL-UHFFFAOYSA-N 402.436 0.958 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1195809170 JAFYMOWBSYHALY-BZUAXINKSA-N 406.508 0.313 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1224127661 RKALGXJUPNJEJL-QDIHITRGSA-N 408.480 0.754 30 20 HCED COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1315260054 JZHCLXQFQAGVNN-LJQANCHMSA-N 417.491 0.591 30 20 HCED Cc1nnc(N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)c(C(N)=O)c1C 1320281141 FSLAGLHIUFOKBK-UHFFFAOYSA-N 408.462 0.986 30 20 HCED N#Cc1cc(Cl)ncc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1326973078 LOVDYHYJHWOICA-UHFFFAOYSA-N 419.850 0.979 30 20 HCED COCCN(C)CCN1C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1=O 1457856795 OGBLFFOANKXELY-FOIQADDNSA-N 410.515 0.543 30 20 HCED CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1497327353 JDRJRKIVINCBLJ-HYVNUMGLSA-N 422.555 0.782 30 20 HCED CCn1cnnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1502238398 YZGOLXMGPWLQLU-ZDUSSCGKSA-N 421.531 0.678 30 20 HCED CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1502368859 SKGQNXOCYJVLJY-CHWSQXEVSA-N 413.548 0.789 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)nc1 1527962134 RLOAWRQOCRWHMX-KRWDZBQOSA-N 404.430 0.743 30 20 HCED CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1542018834 YKOOYUGUZMOXMA-SUMWQHHRSA-N 412.491 0.853 30 20 HCED C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1545146200 QAAMWTNFJNQNEJ-KUHUBIRLSA-N 417.491 0.591 30 20 HCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1=O 1555582867 PTQNICGCHAAIHJ-UHFFFAOYSA-N 421.465 0.289 30 20 HCED CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1597428658 RHYKPEFUCWLBDV-AWEZNQCLSA-N 403.487 0.434 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1622128549 UCPYHYULFOPXPL-UHFFFAOYSA-N 423.314 0.091 30 20 HCED CC(C)CNC1(CO)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1641436646 ZABGURRHIIJWGF-MRXNPFEDSA-N 422.551 0.824 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1641848455 VGQNUYFZICUCQW-CQSZACIVSA-N 408.480 0.962 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)[C@H](C)C#N 1655165079 QJNUKGDECXPRBV-OAHLLOKOSA-N 406.508 0.956 30 20 HCED CO[C@@](C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)COCc1ccccc1 1683752371 KPQRXMZJCIPOLD-FQEVSTJZSA-N 415.450 0.742 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 1705686288 UYDVZEOPFOFRRC-JTQLQIEISA-N 404.290 0.373 30 20 HCED CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNS(C)(=O)=O)CCOC1 1710418557 YRMXYZYAGBVQNY-XJKSGUPXSA-N 400.505 0.218 30 20 HCED COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1C[C@@]1(O)CCS(=O)(=O)C1 1712442383 XEQAVLLZJDLQSC-IBGZPJMESA-N 419.507 0.661 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1723779651 KOHSLOWRQZAMFA-HNNXBMFYSA-N 418.523 0.942 30 20 HCED Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1761933294 OXRSIKRSUQRNBR-LJQANCHMSA-N 416.507 0.938 30 20 HCED COc1ccc2nc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1777900398 UXWXFZXDQJKITP-QFIPXVFZSA-N 423.425 0.775 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1778979757 PSWPCTQDWPNGNM-IIBYNOLFSA-N 408.495 0.899 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1779101330 MSXTZFBQRQXNQH-KRIYTASASA-N 406.439 0.956 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1779104282 HWXFTPKDNZMLLI-TYJLCGHTSA-N 405.455 0.242 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c3cnccc23)C1 1779180729 FDVWTXFRZRXJIS-DYESRHJHSA-N 410.430 0.778 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CNC(=O)C2)C3)c1 1780349755 FGPORLCJSVURMM-JBYIUTFZSA-N 410.474 0.822 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1781241942 NQFMXLILMPLCPU-FOIQADDNSA-N 403.866 0.656 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1781268323 NLZMUXMGIYDZQQ-IBGZPJMESA-N 424.885 0.876 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1781391822 XFYNQNJLSXSYLX-XLIONFOSSA-N 410.515 0.340 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1781400817 PUQKRTDPVJPASQ-WBMJQRKESA-N 405.398 0.727 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782631912 JMHBKWSTOXHIFA-OAQYLSRUSA-N 418.494 0.928 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4cccnn4)C3)C2)c1 1784457950 DBTSUSLRESHBRT-NRFANRHFSA-N 407.430 0.871 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1784493716 CZDDYRNWKIFQAI-FHWLQOOXSA-N 421.538 0.961 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NCCC)C[C@@H]21 1784500435 PZTJGWRLTZLGPX-XSLAGTTESA-N 409.527 0.864 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]21 1784503841 KCTBDNJTNYZYPA-RFGFWPKPSA-N 422.400 0.663 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CCC)C[C@@H]21 1784503850 KOBMUJBJJMQRBI-ATIWLJMLSA-N 409.527 0.862 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnc3C(N)=O)C[C@@H]21 1784535091 UDEAEDWVXGEZPW-NZUILWFCSA-N 420.535 0.728 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1785376742 ZJXXQIASBGCPEH-OAQYLSRUSA-N 409.446 0.664 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3)[C@H]2C1 1786114099 AGMWIBGDYLWYLR-XIRDDKMYSA-N 400.483 0.352 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787043359 JBMHSPOWWVYAJC-VJANTYMQSA-N 416.522 0.962 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3F)[C@H]2C1 1787752302 JIWOWSMSNMSCRU-MJBWGRTLSA-N 416.453 0.672 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccccc34)[C@H]2C1 1787851053 NHRASSGHRKSJFV-DUPRYPCISA-N 410.474 0.966 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc3OC)C[C@@H]21 1788571466 MNIJDVMJJKEGCE-NXNVCVFFSA-N 420.510 0.595 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788754622 NGKKVZCEEBOLPL-XGQSXTOZSA-N 416.478 0.369 30 20 HCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COCCO)C[C@@H]32)c1Cl 1789268757 TTXMIOILEMXAMY-XIRDDKMYSA-N 421.881 0.814 30 20 HCED Cc1c(Br)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)nn1C 1789362266 HWFKPTQEKXYOEI-AVGNSLFASA-N 424.299 0.998 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C)n3)C[C@@H]21 1789890164 IEJYUJVSERLEQJ-JYJNAYRXSA-N 420.466 0.410 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)S)[C@H]3C2)n1 1791261768 BCZCEPWFELCMNZ-VGWMRTNUSA-N 422.551 0.585 30 20 HCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccnnc2O)C3)c1 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N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838743961 QMQSALMQRRZHOB-OAQYLSRUSA-N 409.446 0.856 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4c(C)n[nH]c4C)CCO3)C2)C1 1839238259 DAFVFLZRUNRVEF-NRFANRHFSA-N 402.495 0.992 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648980 RLMVVWXYNBITJM-ZDJZVTAXSA-N 405.495 0.676 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839887957 UVFCPTCBKOZCLN-KRWDZBQOSA-N 414.409 0.847 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1839888298 FZUSWPGCEGKDPA-KRWDZBQOSA-N 414.409 0.407 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cc3F)C2)C1 1840044441 IEJHRHRTVJAYIY-HXUWFJFHSA-N 422.384 0.052 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840194825 HBQYXXYMBXHRSU-JTDSTZFVSA-N 416.540 0.148 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840365772 MPWXLQKMUHVMBS-OXQOHEQNSA-N 407.467 0.573 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840819185 VBDRUYSCYANZSA-JOCHJYFZSA-N 424.457 0.697 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c([N+](=O)[O-])cn3)C2)C1 1840841999 HSZHFWCINPRSLH-FQEVSTJZSA-N 416.434 0.782 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840842025 IUNLHLJVJCQMOX-IBGZPJMESA-N 404.492 0.899 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1ON=C(c3ccccc3)O1)C2 1841054914 RYNTZDYCPBYGNB-YUQDSPFASA-N 424.457 0.783 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CC3(CCCN3C(=O)C(C)(C)C#N)C2)C1 1841137936 BOLVFYDYOUYEQQ-LSDHHAIUSA-N 420.510 0.967 30 20 HCED O=C(CCc1ccc(O)nn1)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302304 OMFMADIDWJNWME-MRUVXERFSA-N 417.466 0.847 30 20 HCED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 18976653 QWRHTAGEAXQLOF-UHFFFAOYSA-N 424.475 0.397 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)c1 47160495 AOUVXCKYTHAWRX-UHFFFAOYSA-N 410.482 0.570 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCCNC3=O)CC2)cc1 54001429 DOFRVOMYOWDEGY-KRWDZBQOSA-N 404.492 0.744 30 20 HCED C[C@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 143179507 PMLVWXFRGDKPKP-CQSZACIVSA-N 409.468 0.519 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1 254817551 YCDAJYOHBKWSTQ-UHFFFAOYSA-N 418.478 0.656 30 20 HCED COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 427061801 XKAQXKJSBLCZSO-QGZVFWFLSA-N 402.842 0.862 30 20 HCED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 430508365 URMUDOQIZYSRSM-LJQANCHMSA-N 414.853 1.320 30 20 HCED CC(C)NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 433472430 WADYCIHIJGSUAE-LLVKDONJSA-N 402.454 0.557 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 441929939 CPBBGBHACJLSFU-CQSZACIVSA-N 424.482 0.536 30 20 HCED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)n1 444501234 GQKPZVYDJNUPBP-OAHLLOKOSA-N 409.450 1.316 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)n1 444570538 NSSZZCWEUMFESI-ZDUSSCGKSA-N 402.842 0.849 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1 446091993 TUUJCUZTICGAGK-RNIPGJKVSA-N 420.473 0.592 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 446528969 XSXXDGDEJUOYDF-CVEARBPZSA-N 405.476 1.000 30 20 HCED COCCCOCCN(C)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460807803 UPLIDXNOFXQQSB-UHFFFAOYSA-N 400.439 0.897 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 464206768 HFYALWCSQQNBTE-HNNXBMFYSA-N 406.508 0.884 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 464965247 YDGKAWOTIALHRN-OAHLLOKOSA-N 414.514 0.121 30 20 HCED Cc1ccc(C[C@H](CO)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 467314058 IXBWKCYDQHMXRO-LJQANCHMSA-N 418.457 1.165 30 20 HCED CO[C@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)N(S(C)(=O)=O)C1 468841622 DQUNZQHMQQXGGY-RLFYNMQTSA-N 424.498 0.831 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N 472249004 GZVWZOSZWOUALT-AWEZNQCLSA-N 413.482 0.502 30 20 HCED COCCC(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 475418289 PJFBBVYKNFRQSS-UHFFFAOYSA-N 402.451 0.991 30 20 HCED CC#CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 477620951 XDMKCCCRSOHNSA-CYBMUJFWSA-N 405.398 0.757 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 479910915 GMLRBQQPLDPTEF-UHFFFAOYSA-N 414.462 0.245 30 20 HCED Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cs1 480932430 JIERYVXBCQWRLV-UHFFFAOYSA-N 413.484 0.493 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)o2)c1=O 481563681 DGFVLQKXZCAROI-UHFFFAOYSA-N 415.471 0.197 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 484593210 UDGJHIBRUYYDCF-UHFFFAOYSA-N 416.484 0.433 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)C2=O)cc1 486635863 CKFPKIUNBPCCRT-FUHWJXTLSA-N 415.475 0.796 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487162996 SQSSNVWCILVTEM-IRXDYDNUSA-N 419.507 0.382 30 20 HCED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 508008534 XSLUHRVHBSLHEL-UHFFFAOYSA-N 401.471 0.950 30 20 HCED CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1C 508357978 CXJRQAPYQIIBEK-UHFFFAOYSA-N 419.467 0.365 30 20 HCED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508477798 NQJVRZNNWNKMIZ-UHFFFAOYSA-N 405.462 0.930 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 508944274 CYABLOISRZNIOM-HZPDHXFCSA-N 422.555 0.948 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 511703353 ZVYNRMVSXHHPBZ-OAHLLOKOSA-N 423.495 0.473 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1 514030508 HJFBOZMRAQLKPP-LPMFXHHGSA-N 417.491 0.323 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cc(F)ccc2OC)CC1 520775710 KPWDTNHJXZCNAC-CQSZACIVSA-N 406.458 0.458 30 20 HCED Cc1nn(C)c(N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)c1C#N 530360098 MQLSWBRXWWWZSL-UHFFFAOYSA-N 405.440 0.482 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 530542215 JQZAFINWGRTKAS-UHFFFAOYSA-N 412.496 0.963 30 20 HCED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)n(CCC#N)n1 533319015 DGEOVTBZXPDGNL-UHFFFAOYSA-N 418.479 0.280 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC(O)C1 533865097 HPDAFMMECHHDHI-SFTDATJTSA-N 420.558 0.074 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc(S(=O)(=O)N(C)C)c1 535152040 AILATZDREPYSKI-GFCCVEGCSA-N 404.452 0.542 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)c(OC)c1 535585926 MLZUBKMTZASKQX-UHFFFAOYSA-N 419.481 0.534 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 539177424 GRKPHROBWJWFTQ-UHFFFAOYSA-N 424.465 0.291 30 20 HCED C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 539329133 CLLHLJCJDRTODQ-KGLIPLIRSA-N 414.480 0.910 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)ccc1Cl 542793405 NOZSRYSNPJZWAE-UHFFFAOYSA-N 416.890 0.139 30 20 HCED COc1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1[C@@]1(C)NC(=O)NC1=O 543682344 KLIGHBCXTFEWRV-QLJPJBMISA-N 410.477 0.379 30 20 HCED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 549791186 DYDILGGBZWSTHN-AWEZNQCLSA-N 418.479 0.609 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 551042278 AFGWGGDLFXSATK-CQSZACIVSA-N 424.479 0.014 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 551067280 VTLKGMCPURCXSU-ZDUSSCGKSA-N 411.422 0.436 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 560742352 AXZRGRGHBKOKOO-UHFFFAOYSA-N 414.443 0.628 30 20 HCED C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 561131572 SFXKYGYRZZTVBV-HIFRSBDPSA-N 422.482 0.285 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)Nc3cnn(-c4ncccn4)c3)n2)c(F)c1 569163193 DTVUBJAOHCEAHB-UHFFFAOYSA-N 417.364 1.436 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 571423908 CNPJNEKKXQJKDK-HNNXBMFYSA-N 419.913 0.697 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)C1=O 572066929 KZIPXSRMXMETOI-MRXNPFEDSA-N 407.492 0.212 30 20 HCED Cn1nc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 574316713 JWAAZRZDLZUOMF-UHFFFAOYSA-N 417.473 0.847 30 20 HCED CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 575032584 SBBNLJDIDRATEB-QWHCGFSZSA-N 416.463 0.549 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 577997041 XEYVDBKKKTWHBC-RTBURBONSA-N 414.506 0.249 30 20 HCED C[C@@H](c1nc(-c2ccccc2S(=O)(=O)N2CCOCC2)no1)n1cnc(C#N)n1 578632761 MNICPEUXKBLJPF-LBPRGKRZSA-N 415.435 0.830 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[S@]1=O 579029065 LOFXXFSOATXCPW-DTSUUXTCSA-N 403.439 1.189 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 588279347 HQYPYLWGPZOISH-CQSZACIVSA-N 409.450 0.989 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)S(C)(=O)=O 588631303 VATRABAOXJOKMU-LBPRGKRZSA-N 412.899 0.410 30 20 HCED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)c2ccccc2O1 589422305 PREGHZRIVCYQMX-INIZCTEOSA-N 410.434 1.056 30 20 HCED CC(C)C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1 593235953 OXFRAORUCJHMOB-KRWDZBQOSA-N 408.524 0.700 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1 603788622 VCZQBWIGZAFOHZ-UHFFFAOYSA-N 407.451 0.854 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 604021015 IDQYBSMCWASHQV-UHFFFAOYSA-N 404.414 0.972 30 20 HCED Cn1c(=O)c2nc(CN3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[nH]c2n(C)c1=O 611551146 IIKJMNIZNYODII-OAHLLOKOSA-N 411.441 0.482 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)cc1 682096476 KGYQFCDNJKFHCK-CYBMUJFWSA-N 408.480 0.169 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCCc2ccccc2C)C1=O 726043265 MJCLQCJKRHKAMS-AWEZNQCLSA-N 401.419 0.562 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734559185 QGPWAQMOASBDGR-GOSISDBHSA-N 415.427 0.809 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@H](C)C(=O)NC(N)=O 744593157 HOXQQLIHOOYMFL-WYRIXSBYSA-N 400.391 0.278 30 20 HCED C#CCN1CCN(C(=O)CN(C)CCCOc2cccc(S(C)(=O)=O)c2)CC1 748816290 RIPJZXCQKLLVBB-UHFFFAOYSA-N 407.536 0.568 30 20 HCED COCCN(C(=O)CON=C(N)c1nccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 754287184 HLWMVRSFVYVLIO-OAHLLOKOSA-N 420.491 0.534 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cccc3c2OCCCO3)c1=O 758054323 KTISEMKMXNIXDT-UHFFFAOYSA-N 421.478 0.510 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(COC(C)C)cc2)CC1 761035604 BEMOTLIFXMIVEK-UHFFFAOYSA-N 422.551 0.313 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c1 761792220 RUBUPTSRWMZJNB-AHCXZYCDSA-N 420.425 0.805 30 20 HCED C#CCNC(=O)CN1CCCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 763351151 OPHNNTIATULERO-UHFFFAOYSA-N 423.495 0.107 30 20 HCED 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PYJIDTLWMXVDRN-YWZLYKJASA-N 416.482 0.283 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CC[C@@H](C(=O)OC)C2)CCO3)C1 1830705270 GTGCISXEPLXNIO-JKSBSHDWSA-N 420.506 0.998 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1831216260 HKTRIEKMJAIUED-LJQANCHMSA-N 408.405 0.762 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1831425782 DPSNWGYXRAQIKH-FOIQADDNSA-N 405.451 0.448 30 20 HCED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n1 1831484842 GUBQNSDWUSWAQD-PKOBYXMFSA-N 410.540 0.602 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)[C@@H](C)CC)CCO2 1831502119 VDNCGFALJOTRFD-CUWPLCDZSA-N 412.527 0.833 30 20 HCED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831630160 OVBFPPMBJSIHDZ-IIBYNOLFSA-N 401.463 0.911 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1 1831673313 FOMVXNSSEUAEOJ-KRWDZBQOSA-N 403.479 0.707 30 20 HCED COc1cc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)ccn1 1832594583 LTAKUXBIMUTYNV-NRFANRHFSA-N 416.478 0.783 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832672031 LKTFZHOCDDOQAF-HXUWFJFHSA-N 421.519 0.836 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833568892 SCCWFAOLIITEPR-GOSISDBHSA-N 407.402 0.156 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)c(C)n3)CCO2)C1 1833687589 QDNKWANHCFIKHN-XMSQKQJNSA-N 415.490 0.807 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(CC)c3F)CCO2)C1 1833733714 FDMDXJZDTRGTQW-JLTOFOAXSA-N 422.457 0.220 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834601748 HITXBCYSCOBDCT-KRWDZBQOSA-N 401.511 0.483 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834756148 SIBFRNKTTZDGPJ-FTRWYGJKSA-N 407.467 0.336 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835369950 AGFWIJQIVLAGRA-OXQOHEQNSA-N 408.520 0.978 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)CN)CCO3)c1 1835530244 GUIRGAOLMFPKSN-HRAATJIYSA-N 400.479 0.532 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835839787 GRUIMCZZELDACK-KRWDZBQOSA-N 412.537 0.715 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837391717 UNVLXANNSJBOPA-LLGFUMIMSA-N 410.511 0.585 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1837395170 RONOKMZKNONHQI-UTKZUKDTSA-N 420.510 0.372 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837561618 XRQQKRFNXPTFQW-WHEDMDOKSA-N 413.434 0.259 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837678873 BZSLJLDBZGCXOT-XMSQKQJNSA-N 421.538 0.941 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ccn3)CCO2)C1 1837861288 GFUVZKAUGCWHGP-FOIQADDNSA-N 421.881 0.843 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837874617 NOCSKHYHDRWEKB-OXJNMPFZSA-N 404.467 0.120 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)cn3)CCO2)C1 1837892666 WPNHAEGDQGHPPQ-FOIQADDNSA-N 421.881 0.843 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)c4ccco4)C3)C2)c1 1838732621 WWOGUMQHGSXLHW-FQEVSTJZSA-N 412.402 0.432 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1N(C)C 1839114294 DALZXDNZSMQNIE-NRFANRHFSA-N 416.478 0.745 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839838800 SMEZLXGBEPUELR-XLIONFOSSA-N 411.568 0.704 30 20 HCED CC(C)N1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)CC1 1840159040 VQSIUIOEYKFFPK-JXFKEZNVSA-N 413.584 0.882 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(C)=O)C2)C1 1840908941 KFHMVDKAIKIVCB-JXFKEZNVSA-N 409.483 0.379 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)COCCNC(=O)OC(C)(C)C)C1 1845153665 UROOQCJDDPDBOF-INIZCTEOSA-N 423.510 0.769 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 25911367 WCSNYMMZAIIRBM-UHFFFAOYSA-N 412.450 0.619 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 42475091 MTYICIZFTJHPFT-HNNXBMFYSA-N 411.380 0.537 30 20 HCED C[C@H]1CN(CCC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C[C@@H](C)O1 409511857 REYQVUSNDHMZOC-SOLBZPMBSA-N 400.545 0.667 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CCO1 409533111 GUZOOOSQCLECPB-HNNXBMFYSA-N 422.463 0.535 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409585715 QWBXCUZKPFTTLK-CYBMUJFWSA-N 418.435 0.397 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)Cn3cnc(C#N)n3)c2)CC1 425942991 PATVHNGXSXTMAN-UHFFFAOYSA-N 403.468 0.115 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 434819307 LIHRQFNQBUQCSE-ZDUSSCGKSA-N 419.445 0.543 30 20 HCED N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CC1 437235839 VHPZWSFAQIBLFA-UHFFFAOYSA-N 413.419 0.214 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc2)C[C@@H](C)O1 438870153 ADDNWBIVVOQZRK-MCIONIFRSA-N 408.480 0.841 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 441604607 OCAMWZVDFWDXCX-GOSISDBHSA-N 421.457 0.524 30 20 HCED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 446610092 KTMRVWWJEKNYJW-UHFFFAOYSA-N 421.500 0.745 30 20 HCED COC(=O)Cc1csc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)n1 462316807 AUFSUPWXOTXXDZ-LBPRGKRZSA-N 415.479 0.669 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 465215285 PRRKUEMRUOLUHB-DLBZAZTESA-N 401.515 0.925 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccccc1 465268319 LQVRPVBAUMSPID-HNNXBMFYSA-N 414.491 0.754 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCNC(=O)C1CCC1 470018774 ALLMMKAABPJANU-AWEZNQCLSA-N 406.508 0.990 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc(C(=O)N(C)C)c3)CC2)c1C#N 472204996 GCKMFAREYBMYGF-UHFFFAOYSA-N 416.507 0.813 30 20 HCED Cc1cc(NC(=O)CN2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)no1 477074000 WLXUNAKLMJLUSX-KRWDZBQOSA-N 422.445 0.743 30 20 HCED CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 480973239 UGDMYUURTFKFEO-AWEZNQCLSA-N 407.496 0.658 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)C2CC2)CC1 482195007 YXTXRVGRNJXCFP-CQSZACIVSA-N 404.492 0.348 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 482291287 ZLKXTXHDKODUOO-CABCVRRESA-N 409.464 0.590 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCOCC2)CC1 482489079 JLEDJCGWTDXSQP-OAHLLOKOSA-N 406.508 0.548 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)ccc3C)c(=O)n2C)CC1 489171128 NTKRJHVRDNWINT-UHFFFAOYSA-N 410.543 0.731 30 20 HCED COCC1(C#N)CCN(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 490709421 MYRHWVDERWVKTI-UHFFFAOYSA-N 415.498 0.477 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCCC(=O)OC 501761694 ITOBYDAHLXGEKU-UHFFFAOYSA-N 417.512 0.730 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 502537590 LNIYJBUEDOIWEB-UHFFFAOYSA-N 404.492 0.548 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(=O)n(C)c1 505165004 ITPFPFAMICAAGU-INIZCTEOSA-N 407.430 0.816 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)[S@@]1=O 507755517 QBARYKDYCRPYEQ-KEEWRMCWSA-N 400.464 0.835 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)n1 508319845 REMYATKMCIHSAQ-UHFFFAOYSA-N 401.814 0.685 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1I 508995952 IFYDSNOUSOUTEQ-UHFFFAOYSA-N 422.129 0.264 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CC(=O)N(C)C)CC1 510865772 XFGNRBRYAQGZFK-CQSZACIVSA-N 406.508 0.942 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCO1 511256453 GCERPLZELFBSAT-WOJBJXKFSA-N 419.551 0.348 30 20 HCED N#C[C@@H]1CN(C(=O)COCC(=O)NCc2cccnc2)CCN1Cc1ccccc1 511776424 OLLHCRAKCNNTOJ-HXUWFJFHSA-N 407.474 0.951 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)n1 512378883 WGJNRELCZPHZID-MRXNPFEDSA-N 408.466 0.714 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccn3)c2=O)CC1 517982930 DNYVDLVTCPWCEE-UHFFFAOYSA-N 409.515 0.353 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2)c1=O 522284071 BQAWINYWBQXPKC-UHFFFAOYSA-N 413.499 0.737 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCSC)c2nnc3ccccn23)C1=O 523389016 ZHARWUXEDQBKQS-LBPRGKRZSA-N 416.463 0.617 30 20 HCED Cn1cnn(-c2ccc(NC(=O)C(=O)NCCOc3ccc(C#N)cc3)cc2)c1=O 536639521 MIBMUVGXWWPCMG-UHFFFAOYSA-N 406.402 0.576 30 20 HCED N#Cc1cccc(OCCCN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)c1 538529635 VRNANBSTYNDPBR-UHFFFAOYSA-N 400.435 0.840 30 20 HCED Cc1cc(=NC(=O)CN2CCN(C(=O)N=c3cc(C)n(CCC#N)[nH]3)CC2)[nH]o1 540814043 LSUQJLPNKRPAOF-UHFFFAOYSA-N 400.443 0.034 30 20 HCED CCOCCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 549847478 RIEITRUQAIHXKC-UHFFFAOYSA-N 401.423 0.998 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3ccccc3C#N)CC1)C2 550340685 HNJZJOOAHHEKGU-SFHVURJKSA-N 404.474 0.979 30 20 HCED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1=O 550544481 UTXWATWSUPVQEC-LBPRGKRZSA-N 407.224 0.911 30 20 HCED Cc1nc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nc2ccccc12 552852296 SIAMBQVWLXSBDQ-UHFFFAOYSA-N 406.450 0.823 30 20 HCED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 558996946 YPFRXYHOQPWVKI-UHFFFAOYSA-N 402.503 0.139 30 20 HCED COC(=O)C1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCSCC1 559870610 NOYAFDPABKDQCN-UHFFFAOYSA-N 411.505 0.966 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3c[nH]c4ncccc34)CC2)n1 574546284 AHGLSDHIMJTLDL-UHFFFAOYSA-N 403.446 0.837 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 583276296 VDQYBQWEFTZNKZ-CYBMUJFWSA-N 407.901 0.563 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@H](CC)C2)CC1 584673034 XJBYDDJGHWTMKZ-SFHVURJKSA-N 421.586 0.450 30 20 HCED COCCCN(C)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587647891 NWVVKPUCWBOUIL-UHFFFAOYSA-N 402.499 0.123 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2)c1 588125004 SGDFGYHAKXJNAG-MRXNPFEDSA-N 415.494 0.503 30 20 HCED CCOC(=O)c1sc([C@H](C)NC(=O)C(=O)NC2CCN(CC#N)CC2)nc1C 588125566 FQTYRAFHIPYOKO-LBPRGKRZSA-N 407.496 0.910 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 588127572 LVIZXWZBBMPKEO-MRXNPFEDSA-N 403.870 0.666 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)C2=O)cc1 588869169 FXCWPMSPDGPHIO-WOJBJXKFSA-N 423.517 0.862 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCO3)c1=O 603985906 FNCAAPBKWSMSJQ-UHFFFAOYSA-N 413.455 0.090 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)cc1 604269796 CHBXUTKCUBJFAW-UHFFFAOYSA-N 424.526 0.432 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@H](C#N)C1 609281144 JLQISJVPXCIIOD-CYBMUJFWSA-N 410.452 0.472 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 610804359 CODACIPXOAWGHJ-WMZOPIPTSA-N 420.535 0.938 30 20 HCED CCOC(=O)c1c(NC(=O)NCc2nnc3n2CCOC3)c(C#N)cn1CCOC 616811939 HEQFLISQTPRQRQ-UHFFFAOYSA-N 417.426 0.626 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 623205436 OVLFHAUUJMDLJQ-SFHVURJKSA-N 420.535 0.705 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1=O 623217219 KAVQHFRNMXAZFQ-MRXNPFEDSA-N 400.435 0.153 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669816863 RKEDZXNTKXCVLT-CQSZACIVSA-N 402.521 0.117 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc2O1 728221874 CXWFFEVABNSINK-HNNXBMFYSA-N 414.443 0.265 30 20 HCED C[C@@H](OC(=O)c1ccc(C#N)cn1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 730892934 ZIOMHNFFZVCVEC-GFCCVEGCSA-N 402.432 0.505 30 20 HCED N#CCNC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 731244968 AMFZKFMWLCBFMG-GFCCVEGCSA-N 410.408 0.178 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCC(=O)NC2=O)n1 732267910 BMJRZMJHEVKBMV-UHFFFAOYSA-N 407.481 0.681 30 20 HCED N#C[C@H]1CN(C(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCN1C1CC1 732665277 XXXBOEMSUDUPGD-ZDUSSCGKSA-N 422.467 0.243 30 20 HCED Cc1cc(=O)oc2cc(OCC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)ccc12 732910100 MFTOEICUUIFMBB-HNNXBMFYSA-N 418.427 0.446 30 20 HCED Cc1cccc2c(=O)n(CCC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cnc12 732910538 RGZUMTVLFAFYNU-HNNXBMFYSA-N 416.459 0.061 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)ccc2F)CC1 735921294 FEIYHOMKLXCLLP-UHFFFAOYSA-N 411.455 0.058 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 738375024 UWXMYERSTCNEHT-UHFFFAOYSA-N 414.409 0.633 30 20 HCED C#CCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 742213103 CJCYTSPYNAHMJO-GALDBLJUSA-N 422.532 0.684 30 20 HCED C[C@H](CC(=O)N1CCC[C@H]1CN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742763426 GFKHHXPNVVGMNS-CVEARBPZSA-N 420.535 0.827 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)CC1 747820246 QIJYMGQDKMXURY-UHFFFAOYSA-N 411.506 0.824 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1C#N 752379844 VEGXWPUHRBMJLK-UHFFFAOYSA-N 417.422 0.430 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 755319058 HPQXMSQVFDYAGA-UHFFFAOYSA-N 423.267 0.793 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 755535885 ITHMSQSDQBPPBJ-SMDDNHRTSA-N 419.413 0.738 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccnc3ccccc23)c1=O 758050147 CPJDCHDFQQTBKB-UHFFFAOYSA-N 400.463 0.896 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(C(F)(F)F)c2)c1=O 758070538 UTFIWPYVTVICED-UHFFFAOYSA-N 409.364 0.950 30 20 HCED C[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CN1CCN(C)CC1 758533715 FUTOAMRJBGOYOK-IKGGRYGDSA-N 408.547 0.928 30 20 HCED CN(CCCO)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 759740244 OXOFXBPQJYWOFL-UHFFFAOYSA-N 422.551 0.811 30 20 HCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761039646 SFFGGOJIJHMRNP-UHFFFAOYSA-N 406.414 0.668 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 761077615 HCFWNQRHZPPLQV-ZDUSSCGKSA-N 415.381 0.628 30 20 HCED CN(C)c1ccc(C#N)c(NS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)c1 762615506 LSWIMMLLZHZORU-UHFFFAOYSA-N 400.420 0.773 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2ncon2)CCOCC1 764363171 LHXDYCOIRIICJH-UHFFFAOYSA-N 419.463 0.710 30 20 HCED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 772723822 ULXXCGDQMSDIDC-UHFFFAOYSA-N 408.448 0.998 30 20 HCED C#C[C@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)[C@H]1CCCO1 773563232 SYZNMLHAFXYMQZ-DLBZAZTESA-N 408.499 0.984 30 20 HCED C=CCCOCC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773653141 VKOVDQPZZULNJX-UHFFFAOYSA-N 420.509 0.500 30 20 HCED C#CCCN1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 776592706 KYOLZYIZIUAPFW-UHFFFAOYSA-N 415.513 0.549 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 781833025 JEFNMBKDGBHSBU-SSPLZPMDSA-N 423.495 0.478 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1 783346993 JIAVFTRJUZRSFD-UHFFFAOYSA-N 407.492 0.853 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 784926318 VYLCITPZPHFBLT-UHFFFAOYSA-N 417.487 0.440 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)nc1 787738426 RZTBKBNTJKHIJC-GOSISDBHSA-N 420.473 0.961 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OCC)c(C)cc1F)[C@@H]1CCS(=O)(=O)C1 793043972 WZFKOLDFQWKEGW-CYBMUJFWSA-N 424.450 0.898 30 20 HCED CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(F)(F)F 796034116 LWKHXSWMQUWGPF-NSHDSACASA-N 403.379 0.798 30 20 HCED COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802439289 DDAALGWHRSXWFG-OAHLLOKOSA-N 400.487 0.669 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 804555393 OTGWDPRSEASVCO-IFXJQAMLSA-N 418.475 0.191 30 20 HCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)CC(C)(C)C#N 805910735 VXJPIPDZKDAYNO-LLVKDONJSA-N 405.473 0.829 30 20 HCED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811414338 FCJWYUBPOFLPLN-QGZVFWFLSA-N 416.459 0.522 30 20 HCED C#CC[C@]1(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 816492003 FWGSSTPJZOCHCW-GOSISDBHSA-N 404.471 0.803 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 852862053 RFYFZRCGAAUCBE-QWQRMKEZSA-N 418.471 0.549 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)c2nc3ccccc3n2C)n(C)c1=O 915100250 NJXPCDFQRBMOAZ-LBPRGKRZSA-N 405.418 0.587 30 20 HCED N#Cc1ccc(NCCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)nc1 916391959 OGBVEXBQLRGSLE-UHFFFAOYSA-N 421.461 0.437 30 20 HCED CN(C)C(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918269951 OCZFOUXFHMTBGD-RCCKNPSSSA-N 423.495 0.032 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1CC(n2cc(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)nn2)C1 994737644 GZMZWIQOHYIBNW-DZVNLGKHSA-N 401.467 0.436 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CNC1=O 1006469897 WMJITJPXRKHMGZ-JSEZXORMSA-N 404.467 0.158 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(N3CCCC3=O)cc2)c(=O)n1C1CC1 1166661348 ZTNFTGBVTJPDQS-UHFFFAOYSA-N 421.457 0.968 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(F)cc1C#N 1184534492 PHLMEYITWICOLQ-AWEZNQCLSA-N 417.484 0.320 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4n3CCC4)CC2)cc1 1317748598 UXERIOGFTDIPMR-UHFFFAOYSA-N 414.491 0.813 30 20 HCED N#CCc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1319318992 WVUUGBCSAGYJCI-UHFFFAOYSA-N 412.471 0.803 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)OC)cc1 1327475100 NMRXMGSNIHBILT-QGZVFWFLSA-N 415.471 0.755 30 20 HCED CN1CC[C@@](O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1 1503679772 LOIXLSLFTRUVRO-UWJYYQICSA-N 409.494 0.804 30 20 HCED CC(C)NS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1541711933 JRWZINFWBVFFSL-KSSFIOAISA-N 423.543 0.687 30 20 HCED CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1614012785 ZRNNRBPNQBEWSU-UHFFFAOYSA-N 417.539 0.978 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCS(C)(=O)=O 1614028990 WGMTYRPWTVOWOP-ZDUSSCGKSA-N 404.500 0.262 30 20 HCED Cc1nc([C@@H]2CCN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1639291838 XXNPXKMZXRINJI-DGCLKSJQSA-N 402.480 0.946 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1640618599 QUOYANSZLSCSQC-JKSUJKDBSA-N 422.459 0.426 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 1645885238 PGGBJDHOWQQTFS-ZBFHGGJFSA-N 404.492 0.696 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1662972139 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N#CC1(C(=O)N2CCCC23CN(C(=O)c2cccc(N4CCCNC(=O)C4)n2)C3)CC1 1842807403 WPTDKNZYWOYYHD-UHFFFAOYSA-N 422.489 0.529 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809180 SQWRKBBNKGEHEN-CABCVRRESA-N 418.494 0.864 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845439055 IQGITOYPQXQYNP-KBPBESRZSA-N 412.487 0.834 30 20 HCED CCOc1ccc(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc1OC 1846197090 SOLMISZBMQRFGL-UHFFFAOYSA-N 400.431 0.928 30 20 HCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCOCCNC(=O)OC(C)(C)C 1847646451 XGNUKYRDLVLSSQ-HOTGVXAUSA-N 409.483 0.379 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 22393855 OFXMLIHETQSQAB-SNVBAGLBSA-N 417.281 0.994 30 20 HCED Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cnc21 42056795 QQBMBXPYPXYCNT-UHFFFAOYSA-N 408.393 0.595 30 20 HCED CCN(CC)S(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 108094340 DYJBSLBFILEWJK-GOSISDBHSA-N 405.524 0.868 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 409540668 HEEBOEHEZFZVSU-DLBZAZTESA-N 400.479 0.717 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)CNc3cccc(C#N)c3)CC2)cn1 426850288 HZMHMUYWRSSBGE-UHFFFAOYSA-N 402.480 0.673 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)C1=O 427379485 KGUSFWQYYBXFHY-UHFFFAOYSA-N 413.390 0.580 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1 429465076 BILTUJQBFGMHQP-HNNXBMFYSA-N 402.499 0.685 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3(CC#N)CC3)c2)CC1 431137980 JNWUSNCCNHSAFY-UHFFFAOYSA-N 404.492 0.963 30 20 HCED CCOC(=O)[C@](C)(NC(=O)c1cnn(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 431230825 CKLXNXRBRXZAFO-GOSISDBHSA-N 404.448 0.904 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCS(=O)(=O)C1 433666499 ZXHZSXULKVSKIZ-LBPRGKRZSA-N 419.438 0.715 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 435639066 UYMXRMLEZTUBMZ-UHFFFAOYSA-N 417.422 0.564 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 438064375 FEPJCDWCLFMVCP-SUMWQHHRSA-N 410.496 0.814 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)Nc1ccn(CCC#N)n1 438329010 DTTTUJKOZNEFAM-UHFFFAOYSA-N 406.468 0.731 30 20 HCED C=CCN(CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 440301423 GMTWWKHOKRTQGG-PBHICJAKSA-N 411.499 0.794 30 20 HCED CN(CC(=O)N1CC[C@@H](CN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 461181199 OPBLMUICJBGCHW-KRWDZBQOSA-N 406.508 0.359 30 20 HCED CCN(CC1CC1)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 463349420 QIXGRBJHVQROBU-UHFFFAOYSA-N 412.537 0.841 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCc3ccccc3[N+](=O)[O-])n2)cc1 467983598 KZEZPSJAMDPSHN-UHFFFAOYSA-N 419.401 1.404 30 20 HCED C[C@H]1CN(c2cc(N3C[C@@H](C)O[C@@H](CO)C3)cc(C#N)c2[N+](=O)[O-])C[C@@H](CO)O1 468728843 KLNBCSCDFNJTKC-GFOFROLCSA-N 406.439 0.638 30 20 HCED C[C@H]1CN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCO1 470087030 OYUSYEDXCIJWQO-HOTGVXAUSA-N 408.524 0.842 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 475774241 BBTBONKKELQMEK-CYBMUJFWSA-N 421.928 0.978 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2=O)cn1 475934030 UCLGIQLMUBLLBQ-ZWKOTPCHSA-N 406.446 0.704 30 20 HCED CCOC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 478004899 TXDPMUKXBKYTOC-KRWDZBQOSA-N 420.535 0.750 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CCN2CCCC2)CC1 479905107 WOWHJYNYOOVRFW-KRWDZBQOSA-N 419.551 0.465 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 481037413 PGEWKFZDYGLTIU-UPJWGTAASA-N 424.479 0.950 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482810215 PFOZPGKFHGXUCX-TZMCWYRMSA-N 418.479 0.094 30 20 HCED Cc1ncc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1C#N 489592048 BJVXQWAEXIALAM-QGZVFWFLSA-N 415.475 0.143 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)CC1 490570905 RHINSXCRQAOVSQ-UHFFFAOYSA-N 410.496 0.550 30 20 HCED N#Cc1ccc(C(=O)NCCN(CCN2CCOCC2)C(=O)c2ccc(C#N)o2)o1 499946151 NVPPSDWZRIYFEJ-UHFFFAOYSA-N 411.418 0.820 30 20 HCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN(C)CC#N 508118432 IGFJBVXHUCZROS-UHFFFAOYSA-N 410.496 0.889 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CS(=O)(=O)CCO3)CC2)cc1 509882958 DTTFUEATIROSQM-GOSISDBHSA-N 406.508 0.589 30 20 HCED N#CCNC(=O)CNS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 511016628 VGOPEBNFNXRGII-UHFFFAOYSA-N 416.246 0.457 30 20 HCED COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 513295021 VYISYARVBBZFPV-CYBMUJFWSA-N 408.418 0.811 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)CC2)cc1 519317765 JZNIMBSXXCWUML-UHFFFAOYSA-N 406.508 0.738 30 20 HCED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 520669334 OTLCAVSGGMJFMG-LSDHHAIUSA-N 409.450 0.399 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3cc(Br)cn3)CC2)C1=O 520982735 YYEUQJTUVPMAGC-UHFFFAOYSA-N 424.255 0.786 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3nnnn3C)CC2)cc1 542490201 AXYZJPMPAKTYDR-UHFFFAOYSA-N 405.484 0.073 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 548042435 NJHDJNWQCZEWEB-UHFFFAOYSA-N 402.436 0.205 30 20 HCED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 549698056 DGBFCPDFUUAMCP-MRXNPFEDSA-N 413.544 0.846 30 20 HCED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549756130 CPFZWLIVXAHMQZ-QGZVFWFLSA-N 423.477 0.390 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 551000918 VNZVBOUPCZMFPD-ICSRJNTNSA-N 415.538 0.937 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)nc1 554292771 IREBWLDKIYEZNA-MRXNPFEDSA-N 418.523 0.741 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 555288284 MWWWBWZUDZQGNG-GOSISDBHSA-N 423.481 0.838 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)C1=O 560922011 QCNLRIZPOTZWGT-WMZOPIPTSA-N 414.506 0.883 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 562116024 BKVPOWDHMQFKRE-ZFWWWQNUSA-N 413.521 0.508 30 20 HCED COc1cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccn1 574178177 AXFARBDXVGFUPR-QGZVFWFLSA-N 407.430 0.890 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)nc1 576501055 WCHBDYSPQKYQEI-UHFFFAOYSA-N 422.441 0.624 30 20 HCED Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585728291 WHDGKFZZTCSREO-OAHLLOKOSA-N 423.477 1.000 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 608911185 PDIYKAIGRWBENB-UHFFFAOYSA-N 422.869 0.217 30 20 HCED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnnc1C#N 609616124 PLZPMCOGZHDNFK-UHFFFAOYSA-N 404.452 0.972 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccn4)c3)CC2)nc1 610951596 GDSSXZWJSNAKAW-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#CCCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 611173599 BYBACQBYZOOOSA-UHFFFAOYSA-N 405.524 0.941 30 20 HCED C=CCC[C@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 671359317 PLEHOKJVSDMOKZ-SFHVURJKSA-N 422.551 0.504 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)cc1 682435119 KXHDVQAUXQKJEA-IBGZPJMESA-N 422.482 0.660 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 728536082 IOQSDGXGIDZIHC-OAHLLOKOSA-N 420.510 0.780 30 20 HCED COC(=O)[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728540166 UYGLHDZLCGDZDK-OAHLLOKOSA-N 423.491 0.686 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc3c(c2)CC(C)(C)O3)c1=O 729669594 ROCIVEHBXZBDGY-UHFFFAOYSA-N 408.483 0.738 30 20 HCED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 733162800 UVDWGHDGEXPJPU-UHFFFAOYSA-N 407.492 0.107 30 20 HCED COC(=O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737244142 VECPGZFAQAPVPH-QNGOZBTKSA-N 424.479 0.507 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1 742179647 SXZXBQGXEPSQGH-CQSZACIVSA-N 404.535 0.711 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCc2c(OC)cc(OC)cc2OC)CC1 747816692 PMRJPGDSPDWFJO-UHFFFAOYSA-N 403.479 0.790 30 20 HCED CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 749655055 LKEZSWOYXUYPBM-NXVVXOECSA-N 405.842 0.987 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)c(F)c1 751149250 FGBJSJCXTAKTBG-UHFFFAOYSA-N 415.450 0.844 30 20 HCED CC(C)N1C(=O)C[C@@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751398837 FIFDMBDIKAOHIC-DGCLKSJQSA-N 406.464 0.156 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(CC)s2)c1=O 752191900 ZYHYGIFLTLYHSI-UHFFFAOYSA-N 418.544 0.747 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC1CCC2(CC1)OCCO2 756909380 OFFUOXQLBJSLSH-OAHLLOKOSA-N 400.483 0.661 30 20 HCED CC[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)N1CCOCC1 758574348 SZHWJXVDMJMRCQ-ILXRZTDVSA-N 409.487 0.682 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758752508 BVYKTXPKIKWWJX-HZPDHXFCSA-N 403.483 0.916 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 761038517 VZFDJGQBQQSGBN-INIZCTEOSA-N 424.486 0.309 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C(=O)C2CCCC2)C1 762200555 NCXGYXIFTYNZNO-CQSZACIVSA-N 404.492 0.632 30 20 HCED Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 766281373 AWDXWCCQRGIAOX-NSHDSACASA-N 407.408 0.882 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cncs3)c2=O)cn1 767882158 CHNIPQKWBMQBPZ-UHFFFAOYSA-N 412.500 0.354 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 772342720 XCMOYYGVMSGMDR-ZDUSSCGKSA-N 410.427 0.263 30 20 HCED CCCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1=O 779340513 UHWISHMMVLRPJU-UHFFFAOYSA-N 406.508 0.975 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)cn2)CC1 780654419 DDDUBVWTEFBEKX-UHFFFAOYSA-N 404.452 0.774 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(CCOC)c2=O)cc1F 782599505 CBCVRARYTNXHFY-UHFFFAOYSA-N 405.451 0.343 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)c1 783459252 NCFDNXGULGETIS-UHFFFAOYSA-N 421.457 0.901 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CC1 784917933 BWSCGQNQQNVWSX-UHFFFAOYSA-N 404.492 0.185 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]1 786069513 JUIDQDYZPDEZCW-UHFFFAOYSA-N 418.431 0.703 30 20 HCED C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)NC1(C#N)CCC1 787649154 ARPZCXXLAIOUFY-YSVLISHTSA-N 417.437 0.824 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Oc2cc(/C=C/C(=O)OC)ccc2OC)C1=O 797311056 NPSBJKQSICGONT-SOFGYWHQSA-N 402.359 0.764 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)C1=O 798546310 UJSGWVWKWVAKKO-BTYIYWSLSA-N 414.462 0.708 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)C1=O 798617704 NPQXSMNGTSTLDU-WFASDCNBSA-N 407.448 0.017 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 805061006 BWORNFPMJJTKCC-UHFFFAOYSA-N 403.450 0.562 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC2(CO)COC(C)(C)OC2)ccc1F 807928338 DYIKORSGLAMCNO-UHFFFAOYSA-N 402.444 0.534 30 20 HCED COC(=O)c1cc(C(C)(C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 813277671 LYVIPKQEDYMUJD-UHFFFAOYSA-N 406.420 0.551 30 20 HCED 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C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1832451558 HJRFDMXIIWDAHN-IBGZPJMESA-N 408.476 0.629 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832815133 OCCZDCPSVOZQFJ-UZLBHIALSA-N 421.498 0.600 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833531738 ZZANUILQWCFQFX-RDTXWAMCSA-N 410.496 0.181 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)cc1 1834106524 XNESAVIDZSKBIV-OAQYLSRUSA-N 409.446 0.860 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)nn1C 1834115529 UDDYOLMMIHOBSP-APWZRJJASA-N 410.540 0.753 30 20 HCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1)C(=O)O 1834738700 KJWNSIHLWMNXDF-MRXNPFEDSA-N 407.515 0.170 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1O 1834764816 DCHUPGQEQKYLNB-FQEVSTJZSA-N 416.434 0.334 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835191689 BKIPIHOFDFJNCC-NRFANRHFSA-N 424.494 0.379 30 20 HCED CCOc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cn1 1835354253 RBIXAKAARUQYLH-LJQANCHMSA-N 403.439 0.249 30 20 HCED N=C(N)SCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835509589 QVNDTUOEPKKLQU-FQEVSTJZSA-N 416.503 0.121 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835901034 BOYXZEFSFBGRHH-SIKLNZKXSA-N 414.506 0.555 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520628 OQKPXIRHLCXVFY-DROOOQRISA-N 408.476 0.324 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836655752 WWCGAOUZSQRCBY-VHFSOBRXSA-N 406.504 0.765 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837088583 JRFFJDYVEWXYSC-HXUWFJFHSA-N 401.467 0.449 30 20 HCED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838172398 SZOVGQGMGKGLCS-JOCHJYFZSA-N 413.474 0.882 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838842895 YYOPYYJBPVSTNO-NRFANRHFSA-N 417.462 0.582 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1839175259 YDLBRGOHTGURMX-UWJYYQICSA-N 422.478 0.645 30 20 HCED CCC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188284 VPZMXPSZXLFLKJ-OAQYLSRUSA-N 417.437 0.675 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CCC(CC3)CC4)C2)C1 1840044432 XDZOSYAUXSULDK-LFNLJPBCSA-N 404.463 0.501 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840131695 MKDXBCHXKXJPNU-JLTOFOAXSA-N 402.451 0.572 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840841741 SWZGJSJMBCMESR-RXVVDRJESA-N 400.479 0.341 30 20 HCED CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1 1841095091 QHHSUUYVIMDDQH-UHFFFAOYSA-N 405.451 0.583 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c1 1842564347 GDEOOHWBSDXARK-UHFFFAOYSA-N 418.457 0.937 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)CCC#N)C2)[C@@H](O)C1 1842813808 FCVOFSZUGPDZHN-GJZGRUSLSA-N 406.483 0.721 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845754986 AOXPAXQIFFFKBZ-FYJGNVAPSA-N 400.483 0.790 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccccc2)C1 1846957395 VUKRKDMUGAJSIC-KTKRTIGZSA-N 424.501 0.868 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2ccccc2n(C)c1=O 1847802118 LLPFQEOWKJPMMC-WBAXXEDZSA-N 408.458 0.787 30 20 HCED COCCN(CC(=O)Nc1cccc(C#N)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 11561395 MJXAOCVGBWVMBD-UHFFFAOYSA-N 414.466 0.738 30 20 HCED CCCn1c(N)c(C(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c(=O)[nH]c1=O 29857293 UKMHEEAHLQXKAJ-UHFFFAOYSA-N 414.441 0.544 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2cccc(OC)c2)c1=O 104865587 JWUZYZCPHVMPAH-UHFFFAOYSA-N 400.435 0.211 30 20 HCED Cc1cc(C)cc(OCC(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 432835133 FZLNDGXLJFASDY-UHFFFAOYSA-N 411.462 0.300 30 20 HCED CCN(C(=O)CN1CCO[C@@H](C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 436137086 YWMJKPZZQZGCBS-HNNXBMFYSA-N 412.450 0.157 30 20 HCED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 437406526 GFNZXWMKHKSOJN-AWEZNQCLSA-N 407.496 0.179 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 443003338 BOZICLJSLYSCKG-AWEZNQCLSA-N 414.491 0.949 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cn1 444064246 UYISIVKTVDMMHA-UHFFFAOYSA-N 408.461 0.775 30 20 HCED COc1ccc(CN2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444503289 CHGMRSCBJWLPFD-UHFFFAOYSA-N 410.478 1.478 30 20 HCED CCc1nsc(N2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)n1 444527521 LWLQCUAGCCDYTG-UHFFFAOYSA-N 402.484 0.888 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(Cc2ccncc2)c1 446532547 RDLVLUGBHXOWBG-UHFFFAOYSA-N 411.466 0.339 30 20 HCED Cc1nc([C@H]2CCCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)n[nH]1 460714438 CQBGWLOROAKSOH-AWEZNQCLSA-N 405.422 0.910 30 20 HCED C=CCOCCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 463747138 UCIRDELEPCRDBN-UHFFFAOYSA-N 423.491 0.833 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 465423656 NMEFIGOFUVBEEZ-ZIAGYGMSSA-N 408.480 0.730 30 20 HCED C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469198263 DWKNJZQXPCQNDQ-HBRVENNYSA-N 408.458 0.758 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3c4ccccc4C[C@@H]3O)n2)cc1 472810964 QPUPZBJHXRDZNK-ROUUACIJSA-N 402.414 0.911 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4nccnc4c3)CC2)c1C#N 472886798 XRELMZGSYUOMMC-UHFFFAOYSA-N 404.434 0.831 30 20 HCED Cn1ncc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1C#N 474427920 CDJKOUYOJGYUNV-UHFFFAOYSA-N 403.464 0.384 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)C1=O 476282952 ATZWCRPZBKORBR-HNNXBMFYSA-N 414.418 0.199 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2C(C)C)c1=O 478738362 NHPCGCMJUUAWFF-UHFFFAOYSA-N 413.503 0.235 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 481017004 QLDQACTXSXVYDL-KBXCAEBGSA-N 410.496 0.577 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 486074223 FVLVBRTVXYTHFR-UHFFFAOYSA-N 406.489 0.868 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C4CCOCC4)CC3)n2)cc1 491110105 URWQDBLTJPZUIU-UHFFFAOYSA-N 423.477 0.460 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CNC(=O)c3ccccn3)CC2)C1=O 492615282 UWOFXZITPCZHPM-UHFFFAOYSA-N 413.434 0.027 30 20 HCED CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O 494088956 LAXVBYXBGOKCHU-OAHLLOKOSA-N 409.450 0.652 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 502263638 XZHPKPYPUFBCHU-RBUKOAKNSA-N 402.495 0.759 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1C[C@H](C)O[C@@H](C)C1 506908734 NFNHQNLRLFSYGQ-STQMWFEESA-N 406.468 0.331 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C 507088524 SIWGYNFLVNGADB-UHFFFAOYSA-N 403.479 0.940 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 508672572 SQIUJLYZJNMBKW-UHFFFAOYSA-N 404.496 0.112 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 509205695 NENAEJPZNBJLAF-BBRMVZONSA-N 413.931 0.963 30 20 HCED CCN(C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1)S(C)(=O)=O 512449318 FNFPQICKJGYRFU-GOSISDBHSA-N 413.588 0.425 30 20 HCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 521500508 FCXAMPHYYAHVJO-UHFFFAOYSA-N 413.499 0.596 30 20 HCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1SCCC#N 523047565 LMDSLBZBVQBXNJ-AWEZNQCLSA-N 417.491 0.484 30 20 HCED COCCN(CC(=O)OC)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 538266606 AUNRSLIDRVJRNP-GOSISDBHSA-N 406.458 0.656 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCO)c2ccccc2Br)C1=O 541982944 CTEUUFUIOFKAMH-CYBMUJFWSA-N 424.251 0.966 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C3CC3)[C@]3(CO)CCCO3)CC2)o1 550140806 JZSHURMTXLJKNR-AZUAARDMSA-N 403.483 0.413 30 20 HCED Cc1cc(NS(=O)(=O)c2cccc(C(=O)NCCn3cnc(C#N)n3)c2)no1 552327322 VFSPKZQYRQXYQZ-UHFFFAOYSA-N 401.408 0.677 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)o2)CC1 553772651 HSGLEQORXBYSMI-UHFFFAOYSA-N 414.465 0.841 30 20 HCED C[C@H](O)CN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H](C)CO 553807139 AGFVMFYEJFVGMV-YCPHGPKFSA-N 406.458 0.373 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)cc1 555541731 STVXYEIXGWLSTG-SNLCDYOMSA-N 402.472 0.060 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(F)c(OC)c3)CC2)C1=O 558811638 ABPQZBVDGGXCRP-UHFFFAOYSA-N 404.398 0.460 30 20 HCED COC[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)c(F)c1 564155341 CFEOHALIDBNZFV-MRXNPFEDSA-N 420.420 1.037 30 20 HCED COCCNS(=O)(=O)c1ccc(-c2noc([C@@H](C)n3cnc(C#N)n3)n2)cc1 569620967 INSRMLYYWTUWNZ-LLVKDONJSA-N 403.424 0.734 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3cnc(C4CC4)nc3)CC2)n1 574841480 XTYSEEVMACFKSX-UHFFFAOYSA-N 405.462 0.628 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 579663200 VQWZRBDKLUARPJ-SFHVURJKSA-N 412.471 0.665 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)n1 582517602 YILCBJCEDTZFOP-HNNXBMFYSA-N 421.461 0.938 30 20 HCED CS(=O)(=O)Nc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 583161886 UVCRBDYZOOXYSZ-UHFFFAOYSA-N 422.488 0.524 30 20 HCED N#CC1(CNc2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 583540629 KUELNKSLPMJDKR-UHFFFAOYSA-N 409.468 0.921 30 20 HCED C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 585692963 APVXACHWSYWGCA-LLVKDONJSA-N 404.423 0.838 30 20 HCED CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(C2CC2)C1 588866491 JMIZMFXLRKRZRY-RBUKOAKNSA-N 409.490 0.865 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609128586 FEOYLSFLMBTZFW-FQEVSTJZSA-N 411.506 0.720 30 20 HCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCN(CC#N)CC1 611076496 AAGCZUQYXCRPCY-IBGZPJMESA-N 400.527 0.563 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2CCOCC2)C1=O 641993513 HNLHBABRXQRKJH-UHFFFAOYSA-N 400.435 0.112 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCCc2c(C)cc(C)cc2C)C1=O 726042202 FXEDBHPCIZLMDC-UHFFFAOYSA-N 415.446 0.791 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 728536263 QUNLTOIUGUHZCR-UHFFFAOYSA-N 413.478 0.705 30 20 HCED N#C[C@H](C(=O)CCCCNC(N)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729068910 BQPCOBBJUHFAMN-MRXNPFEDSA-N 416.438 0.791 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 729257443 FEWJUYAFFFXFAI-UHFFFAOYSA-N 416.434 0.669 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1OC 729435776 ZHZHXTOCJVWTNO-RDJZCZTQSA-N 416.478 0.565 30 20 HCED Cc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(=O)(=O)N(C)C 732414713 SNNNUJZIIFOYRC-WUKNDPDISA-N 421.479 0.893 30 20 HCED N#C[C@@H](C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(=O)N1CCS(=O)(=O)CC1 732909100 YEOJWYOUEZMJMM-HNNXBMFYSA-N 416.459 0.131 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CS(C)(=O)=O 733287135 GQEACPYSSLPYNE-JSGCOSHPSA-N 415.537 0.689 30 20 HCED CN(CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738674196 OJCASQAOBYTHRU-KRWDZBQOSA-N 424.435 0.567 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)CC1 742289773 CVUJQJYOQSJDMT-UHFFFAOYSA-N 414.325 0.813 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742559456 SGCYYLKBPIIGQT-SMOSDQRPSA-N 409.442 0.617 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(S(N)(=O)=O)c1 743893561 YZOOXRUFZPUKEW-UHFFFAOYSA-N 405.407 0.740 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCN(C)CC1 747412810 UFMYLVZIDYFBPZ-MRXNPFEDSA-N 422.551 0.857 30 20 HCED O=C(O)CCNS(=O)(=O)c1cccc(C(=O)/C=C\c2cn(CC(=O)O)nn2)c1 759074396 CWXGSGBCUCXHEZ-PLNGDYQASA-N 408.392 0.012 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)cn1 765146263 XJROKDBTNFILNT-UHFFFAOYSA-N 424.486 0.288 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 776123083 WXDINNZDIPHGRW-CYBMUJFWSA-N 405.432 0.825 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 777016640 CFSQFSLGSANYES-LSDHHAIUSA-N 411.480 0.052 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCC(CC#N)CC1 782003939 WRCVAOLFTOEIGZ-UHFFFAOYSA-N 404.492 0.978 30 20 HCED CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782799194 LRYGAUKVIKNTJR-UHFFFAOYSA-N 409.855 0.839 30 20 HCED Cn1nnc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 783005460 CMOPANBPWXLNKY-AOMYARPXSA-N 414.495 0.317 30 20 HCED C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1cccc(S(N)(=O)=O)c1 785524511 OFQVVYZHNDLSHG-LBPRGKRZSA-N 416.463 0.006 30 20 HCED Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787776315 DXPALEFWUNSEDZ-HZPDHXFCSA-N 411.466 0.187 30 20 HCED O=C(NO)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 788255109 SXLRFKCYRGUFTR-UHFFFAOYSA-N 424.504 0.801 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cc([C@H]2CCCOC2)nn1C)c1cc[nH]n1 791170527 WDBYPULVPSZOBI-LBPRGKRZSA-N 404.427 0.960 30 20 HCED COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1 796144287 UEPVFRKFDSDICB-PLNGDYQASA-N 421.435 0.332 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](C(=O)N2CCCC2)C1 805273491 QFTGGINGJBTYGB-CQSZACIVSA-N 404.492 0.586 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCCO1 808955849 NTLCKUPAIFFZPW-JVPBZIDWSA-N 401.463 0.696 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)[C@@H]1CCCO1 809313526 VDGSFBZOYGLBGY-MSOLQXFVSA-N 417.437 0.172 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]21 809523528 PWUFAGMXYLYYFM-HZSPNIEDSA-N 408.553 0.750 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCS(C)(=O)=O)C1CC1 812183830 IMLMXUOXZDSHSZ-LBPRGKRZSA-N 405.546 0.478 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)CN(C)C 815684395 MSYCRKUZWRBTTA-KTNMXJNISA-N 423.539 0.752 30 20 HCED N#C[C@H](C(=O)C1CCC(OC[C@@H]2CCCO2)CC1)C(=O)N1CCS(=O)(=O)CC1 815947014 MGNYYJMUQAALBT-SJJHQCBESA-N 412.508 0.707 30 20 HCED O=C(N[C@@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)N1CCSCC1 820482055 CTFKLTAQDNASCA-SNVBAGLBSA-N 405.523 0.596 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCCS(=O)(=O)NCc1ccccc1 916640952 PRFDVRWJVDGVJB-UHFFFAOYSA-N 402.480 0.784 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc[nH]n2)cc1 918270729 MTCCUYQXRJWWJM-PXLXIMEGSA-N 404.452 0.477 30 20 HCED N#C[C@@H](C(=O)NC1CC1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920109920 KVZLCLJHYFEFPS-MLGOLLRUSA-N 420.447 0.983 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)N(C)C1=O 998599630 PNRPVUHJMXMWAS-ZVZLPEGASA-N 404.467 0.110 30 20 HCED CS(=O)(=O)C1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1 1256419010 PIPCIURLJSENGU-HNNXBMFYSA-N 418.475 0.847 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 1256505170 PXAQISLQEHNHDR-YPKPFQOOSA-N 417.388 0.613 30 20 HCED C[C@]1(C[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)NC(=O)NC1=O 1261115513 FHRQNDXYCKQFCY-IVZHQMGZSA-N 409.446 0.890 30 20 HCED CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1313888339 NOVSROYKANTGQI-XHSDSOJGSA-N 408.528 0.251 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cccc(OCC#N)c1 1321507233 LOHJPYWJSYWGSD-IBGZPJMESA-N 400.435 0.821 30 20 HCED N#Cc1ccc(N2CCC(C(=O)NCC3(O)CCS(=O)(=O)CC3)CC2)c(F)c1 1321935465 FGVMWINDHUWJCO-UHFFFAOYSA-N 409.483 0.970 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)CC1 1323692550 CAXRKIKQPONXEY-LBPRGKRZSA-N 400.482 0.347 30 20 HCED COCCn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1=O 1340590415 PYIAYWZVTTVOJU-CYBMUJFWSA-N 404.448 0.672 30 20 HCED CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCC(C#N)(C(=O)OC)CC1 1463692968 WCYOJLCKJJWGGN-SNVBAGLBSA-N 400.375 0.979 30 20 HCED Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cn1 1618384018 KBFGJRKTJQPBJO-GOSISDBHSA-N 419.511 0.358 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 1629726747 MFCLAAJEIJPIQW-YSVLISHTSA-N 417.491 0.995 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1636786799 SDLWPLHFUOXULG-MRXNPFEDSA-N 411.443 0.783 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1=O 1665559171 PBUUWNCUFUFYAL-CQSZACIVSA-N 414.915 0.669 30 20 HCED CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CC(O)(CC#N)C1 1678995375 PWDJWVPVXCPSQK-UHFFFAOYSA-N 408.480 0.762 30 20 HCED CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(C#N)CC1 1710897128 MQEQMDFZPFXUBW-UHFFFAOYSA-N 411.532 0.486 30 20 HCED CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1712685737 QHQXVOLRVQXVDF-KGLIPLIRSA-N 422.511 0.315 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCOCC1 1750060717 JBQANGYWBPPNLG-LSDHHAIUSA-N 413.548 0.206 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)NC(C)(C)C 1760688968 QKWWZCXUQKRGQS-STQMWFEESA-N 413.548 0.789 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1765657416 UTDKQPTWEFDJMP-UHFFFAOYSA-N 421.469 0.240 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1767942856 MBOOQCHXXPUCFM-MRXNPFEDSA-N 417.514 0.273 30 20 HCED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1777980446 NXJPUGWOCOFGFF-BXTJHSDWSA-N 405.499 0.641 30 20 HCED 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CS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 490232384 VMJGGFCPZQIHKB-SJORKVTESA-N 404.492 0.735 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)cc2C)CC1 491056665 ZXPONUFKRVJLLG-UHFFFAOYSA-N 404.467 0.397 30 20 HCED CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CS(C)(=O)=O 494045972 BNHKWZBRKLKJPI-ZDUSSCGKSA-N 401.510 0.460 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cscn2)c1=O 497577061 YWRGQMHHYSPJDQ-AWEZNQCLSA-N 418.544 0.821 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2CN2CCC(O)CC2)C1=O 497593896 MCJMQNMIFSSMIN-UHFFFAOYSA-N 400.435 0.559 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 500317427 PYGXLGRDNOHZRF-INIZCTEOSA-N 423.539 0.837 30 20 HCED CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508659094 TUPQXHLCNNMYAN-MRXNPFEDSA-N 405.480 0.340 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508916175 ZUPJCEBBYVAEGJ-INIZCTEOSA-N 413.544 0.845 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCOC2)c1=O 512725187 KWMWZEXJIXCNDJ-AWEZNQCLSA-N 400.504 0.891 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 517595708 BTOHQWVGXUISOF-UHFFFAOYSA-N 415.538 0.677 30 20 HCED Cc1nc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)oc1C 518625853 SXNYCCOMPKYZFK-UHFFFAOYSA-N 417.491 0.786 30 20 HCED CCCN(CCCN(C)C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 521674008 XOTUSWWHMINASV-IBGZPJMESA-N 413.522 0.966 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(OC)nc1 522017157 KMYFVJYOHSHBQW-UHFFFAOYSA-N 408.439 0.701 30 20 HCED N#Cc1ccc(OCCNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)cc1 546974222 XURLELRODCFJOF-UHFFFAOYSA-N 403.416 0.730 30 20 HCED C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 550249360 JYYZEXVYSNVWIW-SECBINFHSA-N 404.370 0.347 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCCn2cnc(C#N)n2)c1 552327842 DOBYBYZBHRQMEU-UHFFFAOYSA-N 406.468 0.619 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)C2=O)cc1 558048079 VYBRDFHRNCLTLP-GBESFXJTSA-N 410.474 0.849 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 563484229 VVULYGRJMAGMFX-OAHLLOKOSA-N 407.423 0.532 30 20 HCED CCn1[nH]c(=NC(=O)C(=O)N=c2ncn(Cc3ccc(C#N)cc3)[nH]2)cc1C1CC1 568096421 BHFGAKGKRYQEGR-UHFFFAOYSA-N 404.434 0.713 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1F 569916913 FEFYHNLQZSXZPZ-NSHDSACASA-N 404.398 0.866 30 20 HCED COc1ncccc1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 571151186 SINVWKKQUPDYJC-KRWDZBQOSA-N 407.430 0.890 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 573373003 JUDULLIGWPCGHT-AWEZNQCLSA-N 417.491 0.828 30 20 HCED Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 574428906 CVHXJYBYOUPPKT-SJLPKXTDSA-N 420.473 0.919 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 581506036 OHYWBSUYZCSDQG-UHFFFAOYSA-N 419.501 0.830 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 582875408 WHGTWHOMVTWVBN-GOEBONIOSA-N 422.507 0.226 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c(F)c1 586873156 CIKPWBYKVFVSDM-HUUCEWRRSA-N 422.482 0.333 30 20 HCED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587639859 GLBDKZMTCUMMCV-KRWDZBQOSA-N 412.494 0.508 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2F)c1=O 590897859 RXQXVAYYUMBXKZ-ZDUSSCGKSA-N 401.463 0.889 30 20 HCED N#Cc1ccc(N2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)nc1 604546845 KHSFNRXGZJWANK-UHFFFAOYSA-N 401.448 0.328 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 609549105 IFMOSGIKVBEPGJ-UHFFFAOYSA-N 422.489 0.788 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 611643899 VPERUMUVODCFFL-RYRKJORJSA-N 421.519 0.859 30 20 HCED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 679753529 UDLRAXQLTYGCGM-UHFFFAOYSA-N 417.437 0.936 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NCCc2ccc(Cl)cc2)C1=O 726043590 OQIAKTSGLYXWIF-UHFFFAOYSA-N 407.810 0.519 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc(C)c1OC(F)F 727161062 OAIXGIURZYZUMB-UHFFFAOYSA-N 404.398 0.640 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 728570569 FLMPTKKSRYGARR-KRWDZBQOSA-N 416.522 0.418 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 728570742 MAWJRMXNNFYGEM-GOSISDBHSA-N 411.506 0.697 30 20 HCED C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 728893373 LYMRTKCCWNRMAJ-AWEZNQCLSA-N 409.464 0.625 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 737306281 MWQKZAVVTSJEHO-OWBHPGMISA-N 418.278 0.963 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cccn2)cc1 743894060 IXYBWPYKAGKQCX-JWGURIENSA-N 418.479 0.451 30 20 HCED CCc1nsc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)n1 745814146 WQKJAGRBKHZUFU-PFONDFGASA-N 405.484 0.459 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc[nH]c2)CC1 750495220 HKLOGUWIUDMUFF-UHFFFAOYSA-N 402.432 0.576 30 20 HCED COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1cccc(C#N)c1 751646623 ZCIPIQMGKDRNPX-ZMSDIMECSA-N 420.443 0.351 30 20 HCED C#CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 755066314 VNLRGQPFGUWKNS-UHFFFAOYSA-N 422.507 0.242 30 20 HCED C#CC[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 757257995 GQONQBGUNXGYOS-GOSISDBHSA-N 409.446 0.561 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)[C@H](C#N)C1 757898688 OZAWPKHYJJOKIZ-CQSZACIVSA-N 419.467 0.796 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761039668 SOIQXHFFWWFBBD-CQSZACIVSA-N 419.457 0.725 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 761107993 KMBZVJKAUMRSSG-NSHDSACASA-N 402.304 0.946 30 20 HCED CN(C)S(=O)(=O)c1ccc(NCCN/C(O)=C2\N=CC=CC2=O)c([N+](=O)[O-])c1 763352052 VTBBEWMTJCQIIC-FOCLMDBBSA-N 409.424 0.783 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)C(C)(C)C 765534361 JZFZAMWDFGTXMF-LBPRGKRZSA-N 401.510 0.555 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)OC)CC1 767881115 LRKAKKVMEZTECB-INIZCTEOSA-N 410.515 0.200 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771581971 IBPXKAZEPFAGAI-ZUOKHONESA-N 416.434 0.324 30 20 HCED C=CC[C@@H](CO)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 775567939 PIKWPMMHOYXKQE-HIFRSBDPSA-N 408.476 0.925 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)c2ccccc2C1 775977922 HUPPQCKVSZXTAA-UHFFFAOYSA-N 419.484 0.541 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1C#N 776496637 BZDKRBIHNPQBFT-UHFFFAOYSA-N 403.395 0.040 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 783012962 KBZQTWVRWNSODL-UHFFFAOYSA-N 401.510 0.303 30 20 HCED C[C@H](O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 783362828 IYWBGSYTXSAMHV-BBVBSRCGSA-N 410.496 0.714 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2)[C@H]1CCS(=O)(=O)C1 783476515 VNUBNGKLLXNYMY-NSHDSACASA-N 412.851 0.699 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 783479822 GELCIBQHAPSZMT-MRXNPFEDSA-N 419.503 0.721 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1 786443222 UNLYPTDMPWRYNP-OSVNEOKWSA-N 421.454 0.902 30 20 HCED COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)c(OC)c1 793201183 IXQIAVOVFOVBQU-GFCCVEGCSA-N 407.448 0.806 30 20 HCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nnc(CC#N)n2C)C1=O 794482050 NGTIBQXJVAOCSE-SFHVURJKSA-N 413.463 0.862 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 796279737 LITMBVABRVSITQ-CYBMUJFWSA-N 417.466 0.694 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)nc1 803138971 PNNOGMULBIYFGI-UHFFFAOYSA-N 415.475 0.213 30 20 HCED CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 806191061 JTZJQKYRIVZCQX-GDLZYMKVSA-N 421.523 0.736 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 808229794 DPUTZYHMKCOZJJ-ZDUSSCGKSA-N 400.332 0.983 30 20 HCED C#CCCS(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 808278911 MCYOIIUJFXKMDD-UHFFFAOYSA-N 401.466 0.473 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(N)=O)C1 913167753 PGKXWCWROWGMKZ-ZFWWWQNUSA-N 406.508 0.864 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C1CC1 917792023 UAILMMVZBMNAHW-UHFFFAOYSA-N 415.519 0.462 30 20 HCED COCCn1cc(N2C[C@H](C(=O)N3CCC(C#N)(C(=O)OC)CC3)CC2=O)cn1 1128861256 JWPMEWCBZFSJQR-CQSZACIVSA-N 403.439 0.188 30 20 HCED C[C@H](CC(=O)N1CCC[C@@H](c2nnc(O)o2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1296864513 LNPQEGWZTIWVAM-VXGBXAGGSA-N 419.463 0.999 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)n1 1304485530 KAXLXIMRSFMNNL-CQSZACIVSA-N 405.484 0.269 30 20 HCED CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1309828237 ITJWNDFUVMJQBS-UHFFFAOYSA-N 415.313 0.715 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)N2CCCC2)C1=O 1318280609 OZQMEKCOTDEDBT-AWEZNQCLSA-N 417.491 0.476 30 20 HCED 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N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3CCC4(C3)OCCO4)C2=O)cc1 1687678500 YVPPSSBUUFJNAT-SFHVURJKSA-N 413.478 0.407 30 20 HCED Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)N(C)C 1693516684 PQLMHGAJSVEVDH-QGZVFWFLSA-N 404.496 0.928 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCO1 1741941750 WFOYGYOEAGQQLC-FVQBIDKESA-N 423.543 0.244 30 20 HCED CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761249030 IIBVVZRQKKZHAS-DOTOQJQBSA-N 401.515 0.873 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931825 KPZUNOHRJIANRL-QRWLVFNGSA-N 414.466 0.974 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1778390101 MAEFEGIJMUZNRP-NYHFZMIOSA-N 411.458 0.663 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778446344 SKENNUPXQGIMCO-IIBYNOLFSA-N 413.478 0.746 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778583829 CSQQHJVAUGKEST-JLTOFOAXSA-N 411.466 0.802 30 20 HCED 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C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1840513024 HIJSGGUUTGYOQY-UTKZUKDTSA-N 404.463 0.707 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c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c2ccccc2)C1 1842730894 UIMJEHLZNJYWHF-LJQANCHMSA-N 412.442 0.736 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 52309004 PMTQXKVRMNTNSD-AWEZNQCLSA-N 411.528 0.996 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCN1CCN(c2ncccn2)CC1 57061865 HKVZBUZZNPAWEC-UHFFFAOYSA-N 409.494 0.524 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)ccc1F 139374450 YYDUUSJJMLQSFF-CYBMUJFWSA-N 419.500 0.444 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cccc(S(N)(=O)=O)c3)NC[C@H]2C1 305036002 SNRHIMLUYDJQIA-AWEZNQCLSA-N 409.512 0.715 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC 409482782 GJHXMUARYRALTJ-QGZVFWFLSA-N 408.480 0.948 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 409544545 LTQITNQHPRATTP-CQSZACIVSA-N 416.525 0.133 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)cc1 430237348 DWBKRFUVYVRYFF-ZIAGYGMSSA-N 422.507 0.544 30 20 HCED N#Cc1ccc(NC(=O)CS(=O)(=O)Cc2nnnn2CC2CCOCC2)cc1 434640055 YCGGBMUEWAZMRS-UHFFFAOYSA-N 404.452 0.525 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@@H]3CCCC(=O)N3)ccc21 435214004 AFMXLEDHUXCAOT-INIZCTEOSA-N 411.462 0.993 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)Nc3ccccc3)n2)cc1 437383255 WVZGGSXVIBBDPP-UHFFFAOYSA-N 403.402 0.891 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 442332953 JMIBVDQIFHDYKD-UHFFFAOYSA-N 420.491 0.968 30 20 HCED Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1C#N 443914310 RSFGEHZHEXNWJD-SFHVURJKSA-N 414.487 0.748 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cncc(Br)c1 446528005 SPOSMDZBLIUYTN-UHFFFAOYSA-N 410.272 0.857 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccccc1OCCO 460615515 UDRGBCONXJYIGI-UHFFFAOYSA-N 420.429 1.073 30 20 HCED N#Cc1ccccc1N1CCCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 463381986 QKTCWKWUROBZMJ-HNBVOPMISA-N 408.458 0.759 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 475792046 MLBDZLLUVDUAFW-UHFFFAOYSA-N 404.433 0.738 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC)c2=O)n1 477008521 FCGQQQKAZYTRQQ-UHFFFAOYSA-N 414.487 0.085 30 20 HCED COC(=O)CN(CC#N)C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 482072954 DSUUHARPGSAQSC-UHFFFAOYSA-N 403.435 0.894 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2F)c1=O 489124116 ZGKMWTPYXKPEGT-AWEZNQCLSA-N 401.463 0.867 30 20 HCED N#Cc1ccccc1OCCN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 497615301 LPKWJSKGOOCUPZ-UHFFFAOYSA-N 404.448 0.635 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 499780703 MQJOLTLYBDHOAV-UHFFFAOYSA-N 409.240 0.575 30 20 HCED CNC(=O)CC[C@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 513187883 IZMAEGQEBQJHOR-MRXNPFEDSA-N 402.499 0.884 30 20 HCED CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 521653048 WAVNBDLVLFKONN-UHFFFAOYSA-N 420.473 0.919 30 20 HCED CS(=O)(=O)c1ccc(N2CCN(CC(=O)NC3(C#N)CCC3)CC2)c([N+](=O)[O-])c1 527127578 JOVJDPIYAXNRBR-UHFFFAOYSA-N 421.479 0.683 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 543221871 QODOLEDGSNBDPJ-UHFFFAOYSA-N 415.450 0.538 30 20 HCED Cc1ccccc1[C@@H](CO)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 547301119 UNKYZSMZSHVAEI-QGZVFWFLSA-N 404.430 1.544 30 20 HCED COc1cc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1C 548456115 SKBGNHBQKYWTPG-UHFFFAOYSA-N 422.449 0.756 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(C4CC4)CC3)C2=O)cc1 550317000 HGMGNHZXRRTUHW-IBGZPJMESA-N 409.490 0.518 30 20 HCED CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 557425614 MWUCWEWXJQPMRB-HXUWFJFHSA-N 411.506 0.598 30 20 HCED COC(=O)C(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558007240 YEJQZNZIDKNXTQ-UHFFFAOYSA-N 422.507 0.275 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 562886054 JBXLWZJDMPREFB-CYBMUJFWSA-N 414.853 1.463 30 20 HCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 563613005 RBYKBQHMCMODKP-UHFFFAOYSA-N 415.537 0.635 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1-n1cnnn1 563674143 UHYCOTIBRMEZNK-INIZCTEOSA-N 418.417 0.856 30 20 HCED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(-n2ccnn2)cc1 564298253 OXLJUNYCELPIEN-CYBMUJFWSA-N 421.465 0.713 30 20 HCED COC(=O)c1cn(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)nn1 570872082 WUMNDAAQORNKIE-UHFFFAOYSA-N 408.321 0.293 30 20 HCED CN(CCCN1CCCC1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572876869 BQIFFVZICNVQRY-LJQANCHMSA-N 411.506 0.720 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c([N+](=O)[O-])n1 577149137 XUNRNOIJPXXADH-UHFFFAOYSA-N 411.469 0.959 30 20 HCED CN(C)C(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 579191415 JSDBJFXXKWTUNA-UHFFFAOYSA-N 404.452 0.621 30 20 HCED Cc1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)nc2c1c(=O)n(C)c(=O)n2C 579746685 OFUWJWJEMZTGJW-UHFFFAOYSA-N 419.445 0.170 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1C#N 580606488 SXIBMJXMXKKIMY-UHFFFAOYSA-N 423.462 0.586 30 20 HCED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 584855609 METDJZJZTWBKGA-VIFPVBQESA-N 408.299 0.633 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 585720633 WFAYPDHSYHMPSL-ZDUSSCGKSA-N 400.460 0.960 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(C#N)c1 587674077 LISUUUVVUAQUEW-WMLDXEAASA-N 408.462 0.776 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 610945957 AHRPMDXLYDLVCI-UHFFFAOYSA-N 405.474 0.770 30 20 HCED CCCCN(C(=O)CN1CCN(CCC#N)CC1)c1c(O)nc(=O)n(CCC)c1N 611173956 AIZLZSGPPOWSEY-UHFFFAOYSA-N 419.530 0.605 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611633165 SDAFEWDABSGCKJ-GUTXKFCHSA-N 410.452 0.727 30 20 HCED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670195268 NZFMBWRSHWPFJW-UHFFFAOYSA-N 422.559 0.644 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 728570708 LCQRGXFPWSPRGX-UHFFFAOYSA-N 408.506 0.795 30 20 HCED C#CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 729331108 JKYKPJCABHFRMB-GFCCVEGCSA-N 411.461 0.435 30 20 HCED COc1ccc(C(=O)NCCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732449698 NDBFVIGUAMOVAQ-VLGSPTGOSA-N 401.423 0.251 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1 743884117 LXOVWLHCMOWJGP-UHFFFAOYSA-N 418.469 0.883 30 20 HCED COC(=O)c1c(F)ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1F 749178771 UTKOFJUFPHRCRH-UHFFFAOYSA-N 417.434 0.988 30 20 HCED CCS(=O)(=O)NCCCOC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 753330273 MKTSRACYFLJJTA-UHFFFAOYSA-N 403.482 0.365 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 755554275 SZGGTTBCEAYWRS-UONOGXRCSA-N 420.470 0.733 30 20 HCED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O 756459934 NOZSSPCBAHFDNA-LJQANCHMSA-N 422.449 0.772 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758077918 UUSOJGXTRGHXPY-UHFFFAOYSA-N 404.451 0.229 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)Cc1cccc(C#N)c1 759896611 CXIMZBHRZHWCDO-UHFFFAOYSA-N 403.416 0.939 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N=C3C[C@H](C)ON3)CC2)cc1 763261089 OYLUHBQKXGZPKC-HNNXBMFYSA-N 422.507 0.847 30 20 HCED C#CCN1CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 767301238 IEIPNSPZELUBOD-UHFFFAOYSA-N 403.501 0.027 30 20 HCED CC(C)S(=O)(=O)CCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677843 BNEXZGNBHYEBAA-CYBMUJFWSA-N 402.494 0.982 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCc2nnnn2CC2CCOCC2)cc1 768594219 HHVAUMGPPQLLQA-UHFFFAOYSA-N 419.463 0.630 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1NS(C)(=O)=O 774168191 LYCFOEMOZXJDMR-UHFFFAOYSA-N 416.463 0.800 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)cnc21 774417005 KRYAUEKRCPUXLH-UHFFFAOYSA-N 405.436 0.568 30 20 HCED C=CCNC(=O)CNC(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 776957568 CHVOUEBENWBJKG-UHFFFAOYSA-N 403.483 0.795 30 20 HCED C[C@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCCC#N 776974523 XMZHQZJQKPGBJL-UGSOOPFHSA-N 419.459 0.441 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 778456193 LAAOILXTNQZQAH-GUTXKFCHSA-N 423.491 0.683 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)[C@@H]1CCS(=O)(=O)C1 783480774 LXEPVNYRWYSVNF-OAHLLOKOSA-N 401.448 0.368 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC)[C@@H]1CCS(=O)(=O)C1 783481900 ZCOLITWLNAOOFT-MRXNPFEDSA-N 417.487 0.573 30 20 HCED CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 785101549 DKNNBHDBOQTFNF-UHFFFAOYSA-N 407.427 0.715 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(N3CCOCC3)s2)cc1 785533718 FRYBKXVEWFGHMZ-UHFFFAOYSA-N 420.516 0.821 30 20 HCED COc1cc2c(cc1OC)N(CN1CCN(c3c(C#N)c(C)nn3C)CC1)C(=O)C2=O 788043724 HGRMXWFMWCCJPM-UHFFFAOYSA-N 424.461 0.926 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CCCCNC(N)=O)cc1Br 790838328 AYSAWXQXNFWTTC-UHFFFAOYSA-N 403.258 0.964 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CCN2C(=O)CCC2=O)cc1Br 790839468 PEIZAORKSPHJLG-UHFFFAOYSA-N 414.237 0.665 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OC 796459231 OZWMZPZTSASFTM-AWEZNQCLSA-N 410.448 0.714 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)c2C1 796724263 REEGDQPLDPNGJW-AWEZNQCLSA-N 401.448 0.572 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)c1 801513799 QQMBRCQDWUXQPY-UHFFFAOYSA-N 400.416 0.274 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)n1 803381300 WQKJIANMNGFGQB-AWEZNQCLSA-N 415.416 0.244 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@H](C)S(=O)(=O)[C@H](CC)C1)c1cc[nH]n1 805400129 OWPFJVSMCHEDSE-NWDGAFQWSA-N 400.457 0.118 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n1 810457100 AHKGLZKEHNLSLT-LLVKDONJSA-N 400.361 0.652 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 810773809 GTRMAEOISZIVJU-VIFPVBQESA-N 413.249 0.903 30 20 HCED CN(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 843419267 RTHHXMDEWHZJTC-MBSJSRAVSA-N 413.521 0.752 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccccc1S(=O)(=O)NC(C)(C)C 849067737 ZXMLBPFFWFLSFJ-UHFFFAOYSA-N 411.572 0.761 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NCCCC)CC2)cc1 849189158 BXAYEXZETUUGSX-UHFFFAOYSA-N 420.535 0.272 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)c3nc4ncc(CCO)cn4n3)CC2)cc1 1135836668 SSNKNJPFVXWRLO-UHFFFAOYSA-N 405.462 0.879 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CCCO)cn1 1298818549 KOMHOVXMDFNFRZ-SJORKVTESA-N 400.487 0.254 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1F)S(=O)(=O)CC1(CC#N)CC1 1309577314 KLLHHNCZJQXVPN-UHFFFAOYSA-N 405.473 0.807 30 20 HCED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1314101718 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O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CC[C@H](O)CC3)CC2)CC1 1838774001 JMBACIDONXHIKA-WKILWMFISA-N 406.479 0.624 30 20 HCED Cc1ccc(OC(C)(C)C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)nc1 1839052898 SHVNQDBYYLYXAZ-OAQYLSRUSA-N 416.478 0.918 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1839224490 KJOKYLDCQWHEQJ-JXFKEZNVSA-N 412.531 0.632 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1839226822 FFXMFTSNWXOYFN-FOIQADDNSA-N 423.466 0.643 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840161041 CIBGHKMNEIPQSW-VVXQBARXSA-N 415.512 0.290 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1840292964 XSQBYKSMQGTXEI-NRFANRHFSA-N 402.495 0.992 30 20 HCED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)CC1 1840927757 XXIBQCGCJSQAJA-OAQYLSRUSA-N 404.511 0.478 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)c3ccccc3C1=O)C2 1841598914 KOEBKDFGVNEHSD-MRXNPFEDSA-N 423.469 0.914 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1841608710 KHBFOZMQCFHODB-GFCCVEGCSA-N 408.480 0.246 30 20 HCED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1846013073 PAVCREGLVZLRFZ-OAHLLOKOSA-N 409.437 0.872 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11387678 NAXQDQGRYPIKAV-GOSISDBHSA-N 402.363 0.788 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)OC(C)C)cc1 41165553 PCGVHVRXIRABEC-UHFFFAOYSA-N 411.480 0.890 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 430237345 DWBKRFUVYVRYFF-KGLIPLIRSA-N 422.507 0.544 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)nn1CCC#N 439033076 KKKOSJXJHULURE-QGZVFWFLSA-N 408.462 1.050 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 446565100 LXWUMNLIKYEAFK-OAHLLOKOSA-N 423.491 0.948 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)cc1 446794081 RWDGNPYAXMVLCI-WBVHZDCISA-N 412.508 0.637 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)N(C)C1CCCCC1 460708727 RTXUHWNKYHCHFX-UHFFFAOYSA-N 423.477 1.293 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461372653 NYTZYTLQGCHCPF-UHFFFAOYSA-N 424.482 0.242 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 467501288 JENWEOMQAXOAPF-IBGZPJMESA-N 420.491 0.601 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(=O)c1 468439775 RAHORPLBHVZEGU-KBJGYGKASA-N 406.442 0.780 30 20 HCED C=CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)[C@@H]1CCS(=O)(=O)C1 470217741 JWBJKTLRWQNDJH-CYBMUJFWSA-N 401.510 0.256 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCC(=O)N3Cc3ccccc3)CC2)c1C#N 472266298 RPRLCHJNDISTDM-LJQANCHMSA-N 422.489 0.676 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)o1 473215005 LVNCRNLSKPPFLF-UHFFFAOYSA-N 409.512 0.907 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(O)CCSC3)CC2)cc1 474878624 LGPXJGBJMLUCJC-SFHVURJKSA-N 409.533 0.943 30 20 HCED Cc1nc(N)nc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 476708912 JZBBXWHWKSPTEZ-UHFFFAOYSA-N 400.464 0.694 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 480158431 XKNSDOFCLNODLD-UHFFFAOYSA-N 414.443 0.200 30 20 HCED C=CCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 480748748 IKTWSDNGXGQHIS-UHFFFAOYSA-N 404.510 0.531 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)c(Cl)c2)CC1 491152719 AMMVBKMGUGVQFW-UHFFFAOYSA-N 422.869 0.512 30 20 HCED Cc1onc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1C#N 499803137 RFHGRTXZIRDGMU-UHFFFAOYSA-N 418.479 0.060 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)NCCSCc2ccccc2C#N)cc1C 504118318 JDELTAKQVZGCMG-UHFFFAOYSA-N 414.491 0.797 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)c2ccc(F)cc2F)CC1 505493754 FILZQYSCJKSANZ-KRWDZBQOSA-N 408.449 0.979 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 507770086 CJNDVAWYGUMFBA-UHFFFAOYSA-N 407.448 0.963 30 20 HCED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 508794193 KJFGGFNYGJKXOI-UHFFFAOYSA-N 403.531 0.783 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 511455661 SXTRISOHHLDUQB-CHWSQXEVSA-N 411.505 0.949 30 20 HCED Cc1ccc(C(=O)N2CCC(Cn3ccnn3)CC2)cc1S(=O)(=O)NCC#N 512043076 XHGSOZSARIOWRA-UHFFFAOYSA-N 402.480 0.941 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 527085606 NGUKCIDSXBAEPD-CABCVRRESA-N 421.475 0.700 30 20 HCED C=C(C)[C@@H](CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)OCC 534401476 IXRUCXPMVAUJNT-IXDOHACOSA-N 403.545 0.856 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1 538032682 UCRILOKEWYNWGI-QGZVFWFLSA-N 423.477 0.645 30 20 HCED N#Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)ccc1C(F)(F)F 548764169 RGWSPBPICQNSGH-QPUJVOFHSA-N 405.354 0.916 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)CC1 549251599 WTSLCOLGNXRURW-HNNXBMFYSA-N 412.560 0.765 30 20 HCED Cn1ncc2c(N3CCN(C(=O)CN4CCc5ccc(C#N)cc54)CC3)ncnc21 550572681 HSDJOPOLEIJSCS-UHFFFAOYSA-N 402.462 0.946 30 20 HCED CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(Br)ccc1C#N 550829372 WWPBQZLEONEQKV-UHFFFAOYSA-N 410.315 0.928 30 20 HCED CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 551444550 XRFCLFCJYWGMCL-XJKSGUPXSA-N 417.441 1.096 30 20 HCED CC[C@@H]1CN(CC#CCN2C[C@H](C)S(=O)(=O)[C@H](CC)C2)C[C@H](C)S1(=O)=O 553925479 QXRJPNGDIBAFFK-WNRNVDISSA-N 404.598 0.785 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)CC1 558235151 HVSSKSFVKLNPAP-INIZCTEOSA-N 405.503 0.796 30 20 HCED CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)CC1 559612616 LTNBWHMLZNAKJK-UHFFFAOYSA-N 412.494 0.731 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(C(=O)NCCC)c2)C1=O 559778296 PEKHQFGZFPVWSU-KRWDZBQOSA-N 400.479 0.688 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 561788068 MWWLKAUFGWIQSM-NVXWUHKLSA-N 415.469 0.908 30 20 HCED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 567211912 UXRCOJVRWLVRID-UHFFFAOYSA-N 410.430 0.989 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2csc(C(C)(C)C)n2)CC1 568066695 YXQLEXZOWJKSKF-UHFFFAOYSA-N 421.567 0.546 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 573997351 VGSVFHRBDVGNEF-ZWKOTPCHSA-N 408.543 0.534 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCc1cccnc1 584028193 MICVETAEJKVEQH-UHFFFAOYSA-N 405.483 0.500 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)C2=O)cc1 584298955 AGQRGALQIUIWLZ-SJORKVTESA-N 406.446 0.172 30 20 HCED COc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1F 588126662 OHBBIXHBRRFZBV-UHFFFAOYSA-N 417.485 0.583 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F 589423917 CKFCNLQHBMORJP-UHFFFAOYSA-N 412.303 0.725 30 20 HCED N#Cc1cnn(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1N 590544339 TWHNONLJJPSPDC-OAHLLOKOSA-N 423.477 0.445 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 590897584 DBVVYSSGQAXEEB-UHFFFAOYSA-N 411.483 0.896 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 609457856 IOCIRDMDQTYMLB-IBGZPJMESA-N 409.490 0.751 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609471231 KFLGIFDDYUTCIY-UHFFFAOYSA-N 413.526 0.774 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCO1 609944779 WNEGLJRRDJVYBU-HOTGVXAUSA-N 401.423 0.677 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc(OC)c2F)c1=O 669664197 WZJUBNSMVKYJLE-UHFFFAOYSA-N 416.474 0.948 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 728572348 ATCGNZUUCABLAH-UHFFFAOYSA-N 419.913 0.104 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1CN1CCOCC1 742761990 KPDLRXNTIMQUDD-INIZCTEOSA-N 420.535 0.829 30 20 HCED C[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743992156 FEELOSFPWSDKIC-JPDJOPTESA-N 410.496 0.573 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cccc(C#N)c2)cn1C 750621808 QZYGFUGBMQDPMH-UHFFFAOYSA-N 405.436 0.451 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@](C)(O)CN(C)C 752479220 MTBVMSGBNQKCBZ-HNAYVOBHSA-N 410.540 0.713 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756890048 AVMAUZBFWKYKOM-ZIAGYGMSSA-N 418.516 0.206 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1 763858658 VTQXCZNAABCKIN-OAHLLOKOSA-N 401.423 0.986 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)C1 764740823 NTEGWPUZCOOMQN-BFHYXJOUSA-N 400.501 0.964 30 20 HCED C#C[C@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 769954505 UDSSMCSYRQNDIR-HNNXBMFYSA-N 409.508 0.490 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)Cn3cc(S(N)(=O)=O)cn3)C2=O)cc1 778793219 PTKGARKKUNEBLO-OAHLLOKOSA-N 403.420 0.141 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)N(CC#N)c2ccccc2)n(C)c1 778915115 UMFJCESZZJQOEX-UHFFFAOYSA-N 404.448 0.989 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NN3CCCNC3=O)nnc12 779371647 APRGDBMGMPSHRQ-UHFFFAOYSA-N 413.463 0.769 30 20 HCED C=C[C@@](C)(CCOC)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 782438479 GXLAZSSNAPBHJV-FQEVSTJZSA-N 416.482 0.784 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 783479160 ATDNTEBHFMROIY-QGZVFWFLSA-N 400.460 0.519 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1SC)OCCO2)[C@H]1CCS(=O)(=O)C1 783481995 SSYTXXIILYDUSC-LBPRGKRZSA-N 424.500 0.767 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 784924632 IRPBKTHPPPVEPV-UHFFFAOYSA-N 404.492 0.427 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@]2(C)CO)cc1 784929842 TXGNTNLOOLWGNR-DSPRMBBKSA-N 422.507 0.811 30 20 HCED Cc1nsc(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1C#N 793444494 QJAQWHZTONCLCG-WUKNDPDISA-N 400.464 0.888 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnc(C)s2)c1=O 794580342 BHDQMNWURUJJOC-ZDUSSCGKSA-N 419.528 0.820 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1C[C@H](O)c1cccs1 800076627 SXJBUBXELHHIIU-CABCVRRESA-N 403.526 0.979 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)c2C1 803836326 FDHPXTFADFWIPY-LBPRGKRZSA-N 409.406 0.559 30 20 HCED COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 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Cn1ccnc1[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1654637556 MTWPRMNJZMIZPY-GDBMZVCRSA-N 403.464 0.607 30 20 HCED CN(C)CCOc1ccc(CCNC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1668637472 VCNURMGKHOOQKR-UHFFFAOYSA-N 414.466 0.303 30 20 HCED CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696479922 WVNOYTOKMSTWPA-HNNXBMFYSA-N 416.511 0.346 30 20 HCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC(=O)N1C 1743319402 IHUSMXUTLYUYRG-OAHLLOKOSA-N 421.465 0.687 30 20 HCED CC(C)(C)[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1750519401 WCKVTCPMDYLZMU-POXGOYDTSA-N 408.528 0.790 30 20 HCED CC(C)NC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761249033 IIBVVZRQKKZHAS-WBVHZDCISA-N 401.515 0.873 30 20 HCED CO[C@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1769536543 MBTBCSASRPYKEV-HACGYAERSA-N 412.516 0.432 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778448269 SPWAQMHXOXIGCH-FOIQADDNSA-N 414.466 0.974 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnn3CCOC)CCO2)C1 1778972755 WSRYNHNYUSJBKV-UWJYYQICSA-N 420.510 0.546 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1C[C@H]2C[C@H]2C1 1779018796 IGXVQWJIPCHGOQ-PBSWHRDQSA-N 417.554 0.628 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1779021432 GUVRZABRBMZBEU-BCIXFCFJSA-N 405.543 0.774 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138876 FVYBEFXOXRHDPV-SANNDGFMSA-N 402.451 0.568 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779218802 DTHOVHBEYREQCG-FTRWYGJKSA-N 405.499 0.317 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1779332510 IJRBYHUBJBDRLG-GXYOHSSGSA-N 407.511 0.352 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1779422703 JXVGSLLOTYNLGF-SBVLVFQFSA-N 420.510 0.557 30 20 HCED C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(F)(F)F 1780331373 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C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1792489919 ABHGIBBUEDWIAV-OWXODKQWSA-N 403.479 0.002 30 20 HCED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1794228487 IKMSEPMTMXJLGY-CCWDJLKJSA-N 412.425 0.272 30 20 HCED CN1CCCC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795597314 DEJLVEQCNALZNU-XMTFNYHQSA-N 405.543 0.342 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)Nc1cc(C)on1 1796416954 MESHJQGHCFQNJQ-HBCWATKFSA-N 422.507 0.820 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]nnc2n1 1796574628 SVGOZVIIHLVNKC-JGPRNRPPSA-N 407.381 0.276 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796585343 WZUROANKNOZGCQ-CUSZFKRNSA-N 406.483 0.324 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn(C(C)(C)C)nn1)C2 1797712265 ZQZGJWAYQLPZKA-YALNPMBYSA-N 419.526 0.809 30 20 HCED 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CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807190561 NGSJBMUAJUFBMR-AHCXZYCDSA-N 421.567 0.635 30 20 HCED CN1CCN(CC(=O)NC[C@@H]2CCN(C(=O)C3(C#N)CC3)[C@H]2c2cccnc2)CC1 1809602653 UKFYYLNKJNOULO-ICSRJNTNSA-N 410.522 0.639 30 20 HCED COC(=O)CSCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812874692 WYTKUCWLZDATRX-IFXJQAMLSA-N 419.459 0.082 30 20 HCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC#N)n[nH]1 1816745629 FIWSATBVWPUYKZ-WFASDCNBSA-N 410.438 0.924 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200571 JHCZOHRSUBEQLP-JSGCOSHPSA-N 403.439 0.795 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822205053 XMBQNOFKLORZND-UKRRQHHQSA-N 403.439 0.795 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCCCC2=O)[nH]n1 1822205352 JSRATQFOTZGODQ-AWEZNQCLSA-N 401.423 0.502 30 20 HCED C[C@H](Cn1cccn1)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825663928 MSCJJPRJALKKKX-NEPJUHHUSA-N 401.448 0.676 30 20 HCED COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nn1C 1825669652 NYRSEGYTPVREOZ-VIFPVBQESA-N 403.420 0.199 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)c3)C2)C1 1831426079 FRGCTLVHSXQMQN-DYESRHJHSA-N 405.495 0.995 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1831432310 KDYVQUOKHGEPRB-FOIQADDNSA-N 420.466 0.146 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1831497244 BFCAVIFSVBQZRU-UYAOXDASSA-N 413.584 0.883 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnco2)CCO3)cc1 1831924330 DHYJXWDVCMRLFB-NRFANRHFSA-N 410.430 0.859 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)OC(C)(C)C)CCO2 1831994752 NRXNFGPJHCWQNK-OAQYLSRUSA-N 408.495 0.978 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(C)=O)CC2)CC1 1833093345 BBQRLMGKEXDQED-UZLBHIALSA-N 420.554 0.511 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(O)n4)CCO3)C2)c1 1834193559 JZTKNWJFMYAQOC-FQEVSTJZSA-N 411.418 0.371 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncn2C)CCO3)c1 1834329680 VXJDDMUQWHETHZ-QFIPXVFZSA-N 423.473 0.984 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc(F)cc4F)C3)C2)CC1 1835338635 OBBFSSHBVVEQTL-IBGZPJMESA-N 406.389 0.734 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnc4)C3)C2)CC1 1835341108 OVUBZLJYHBLBQT-FQEVSTJZSA-N 400.435 0.221 30 20 HCED O=C(NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1)c1ncon1 1836046015 MGYBGCNSDCYGMA-HYARGMPZSA-N 417.514 0.727 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n[nH]1 1836282793 YJINTUJIKJBMRK-HXUWFJFHSA-N 401.467 0.736 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CC1 1837046988 BWMQKEXYMMGMCQ-OAHLLOKOSA-N 420.510 0.749 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1837392669 HEUOFLQWXVWZHK-HRAATJIYSA-N 410.511 0.631 30 20 HCED CC(C)O[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443999 OPIVXAFFYXXKOJ-LYBQEQRRSA-N 424.542 0.728 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837769742 DQDJGKIEHUSDKH-LJQANCHMSA-N 424.404 0.617 30 20 HCED CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838584745 DOHADCWXIDOHAY-OAQYLSRUSA-N 415.446 0.616 30 20 HCED CC1=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)CCO1 1838736005 DMYLSKMEADMENQ-FQEVSTJZSA-N 400.435 0.651 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1838905913 GFIBHKJDHDPHFX-LJQANCHMSA-N 417.491 0.255 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839223215 PQNJSQBKWKZSLR-DYVFJYSZSA-N 411.484 0.409 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1 1839420473 LDVODODEPQWMGU-GHTZIAJQSA-N 414.437 0.295 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1839451852 RKKHUDDKNMKJCA-QFIPXVFZSA-N 423.473 0.833 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nn(C)cc4c3)CCO2)C1 1839506507 WBOHXYRWOAFVFZ-JLTOFOAXSA-N 418.519 0.962 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CNC(=O)C1)CCO2 1839867045 RKHLLFLOXGSLTQ-LAUBAEHRSA-N 405.495 0.347 30 20 HCED Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840041135 SSGITOFZBDHABP-FQEVSTJZSA-N 420.487 0.534 30 20 HCED CC(C)(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c[nH]1 1840041248 ZZHLZBFUWAOCOG-OAQYLSRUSA-N 417.462 0.470 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4ccccc43)C2)C1 1840043943 DHHDJCMSRNBYKR-XMSQKQJNSA-N 412.442 0.261 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840614534 OGGAJTDCNORXSR-DYESRHJHSA-N 408.495 0.440 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1ccccc1)C2 1841056411 CYNXSNHUSOQUSC-MQNTZWLQSA-N 424.501 0.867 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)c1 1844795573 AXXFYSSMRKBKRT-UHFFFAOYSA-N 405.480 0.129 30 20 HCED CC(C)(C)OC(=O)NCC1(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1 1846194553 QKBXHQNUXDGRQW-UHFFFAOYSA-N 405.451 0.583 30 20 HCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1847239637 KJIQQPBELDPASL-CMBDLQSPSA-N 405.495 0.829 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CNc2ccc(C#N)cc2)c(=O)[nH]c1=O 15122518 BJHLPFNLLAJRDC-UHFFFAOYSA-N 414.466 0.882 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC#N)CC2)cc1 27346519 GNBNTSAHUYYUEN-UHFFFAOYSA-N 408.480 0.199 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O 43644149 ILKWLIBGOMPANW-DLBZAZTESA-N 417.462 0.324 30 20 HCED CN(CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)S(C)(=O)=O 105970073 HBFBMEATDSNYLK-UHFFFAOYSA-N 416.525 0.767 30 20 HCED C=CCNC(=O)CN1CCN(c2c(C(=O)OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 138729622 ICCUIZBZMOHFEQ-UHFFFAOYSA-N 407.383 0.714 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 410408748 PKLQHDUFEQZGOP-UHFFFAOYSA-N 413.521 0.685 30 20 HCED C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1(=O)=O 429532924 FISZRKOJUBTEBX-CVEARBPZSA-N 410.565 0.966 30 20 HCED COC(=O)Cn1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nn1 433681153 BWTFOWNKDDQAQR-CQSZACIVSA-N 415.429 0.930 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C[C@H](C)C#N 437406269 FSVYJRFWXHTYEH-CYBMUJFWSA-N 424.479 0.273 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 440048759 DUWUCAGUCKCKAM-KRWDZBQOSA-N 414.553 0.480 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2CCC)cc1 441586492 DXMDFQDONHCZFF-MRXNPFEDSA-N 422.507 0.559 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 442297680 VWRXOPWPCBMVTH-UHFFFAOYSA-N 415.494 0.953 30 20 HCED C[C@H](C(=O)N(C)C)S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 447774798 APGIPUGZYQWRAV-GFCCVEGCSA-N 422.486 0.794 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460600952 RUZGBKGMJXAGAO-UHFFFAOYSA-N 407.478 1.543 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 467723462 DQFKEICADNGZLC-INIZCTEOSA-N 403.479 0.923 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2nc(C(=O)OC)c(C)s2)C1=O 471329832 IURNFQIGJPFBQQ-NSHDSACASA-N 420.447 0.878 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)C1CCN(S(=O)(=O)CC)CC1 473936262 HHGVTXSSOVWZGA-UHFFFAOYSA-N 411.484 0.974 30 20 HCED COC(=O)c1cn(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1 474565413 WJFDEPHULUPJBZ-UHFFFAOYSA-N 405.418 0.833 30 20 HCED CCn1cnc2c(c1=O)CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 477009801 LJBBMJAJCNVMCB-UHFFFAOYSA-N 415.475 0.572 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 480946410 BJBKRTHHMYRPRA-UHFFFAOYSA-N 410.430 0.890 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 481779210 NCQPGWVDAMJGFQ-WMZOPIPTSA-N 419.551 0.463 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2CC(=O)NCc2ccc(C#N)cc2)cn1 482999388 LRQSIEDSPAIXFU-GOSISDBHSA-N 401.492 0.863 30 20 HCED C=CCNC(=O)NC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 483540650 RHYFZFAEWDCLPT-UHFFFAOYSA-N 410.496 0.403 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2=O)cc1 487181259 OBFLPTCABQKWKZ-MSOLQXFVSA-N 410.478 0.905 30 20 HCED COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CC2 491489236 ZKAKYFBASAOHPA-INIZCTEOSA-N 422.445 0.938 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cscn2)c1=O 497572768 HFELGPGSSSNGMC-UHFFFAOYSA-N 415.544 0.219 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 497958807 LJUPYRMYSLLHHH-CYBMUJFWSA-N 401.510 0.774 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3c3c(C)n[nH]c3C)CC2)o1 499242550 JZSMADPDQLOACS-QGZVFWFLSA-N 413.482 0.917 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)CC2)c1 501631182 YMPLDTTWGACMNA-LJQANCHMSA-N 410.522 0.983 30 20 HCED Cn1ccc2c(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cccc2c1=O 504437393 ZIXXUOOHDIIWSR-UHFFFAOYSA-N 411.462 0.551 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2noc(C)n2)c2ccccc2F)C1=O 513237833 FZPIIDNHEQPMLN-CQSZACIVSA-N 401.354 0.700 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 516028861 NHQRBJMOQYUCPZ-UHFFFAOYSA-N 413.459 0.493 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(C(CC)CC)no2)CC1 516205580 KPJANNZCYIWIOU-UHFFFAOYSA-N 405.499 0.641 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)C1=O 518961261 TWUIHNNWHIGERE-UHFFFAOYSA-N 417.466 0.596 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 524282002 LCGMYQKYAWBEQI-UHFFFAOYSA-N 400.416 0.031 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CN3CCC(=O)NC3=O)c(C#N)c2N)cc1 530745880 RMMAZWAOTLEJRF-UHFFFAOYSA-N 409.450 0.625 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c(OC)c1 536378623 NWSKCJNABHWVMA-ZDUSSCGKSA-N 403.482 0.760 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COCCNC(=O)c1ccccc1 542232965 ZMMHQRMUFBZWRG-MRXNPFEDSA-N 408.462 0.832 30 20 HCED COCCNC(=O)CN1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542421920 KMDRXYWMYPBRTE-UHFFFAOYSA-N 419.482 0.496 30 20 HCED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1C 542997677 DMHWLTOPDZFBCD-KGLIPLIRSA-N 414.441 0.735 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1(O)CCC1 544750468 RJBJSXBDOWFQKK-UHFFFAOYSA-N 406.508 0.238 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1ccc2c(c1)OCO2 546600160 BKBVPSNQZLGGLD-UHFFFAOYSA-N 418.413 1.474 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2cn3ccccc3n2)CC1 550292677 YQQQIZUAEZTGSD-UHFFFAOYSA-N 403.446 0.608 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 558325429 DWKHMFWATIWRHF-GOSISDBHSA-N 411.549 0.830 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1 558545393 YCKMJPLDZJAYLL-OAHLLOKOSA-N 413.459 0.262 30 20 HCED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 559046080 UJZHJGDYKUBMJB-QGZVFWFLSA-N 423.477 0.390 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1O 559251930 UYQDTDUTWCWJGG-IAGOWNOFSA-N 416.478 0.133 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 559908538 VAKMXEWARMSUPB-GJZGRUSLSA-N 405.414 0.927 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN4CCCC[C@@H]34)C2=O)cc1 560021882 JZXPCUYJBIVSPH-QYZOEREBSA-N 409.490 0.518 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN([C@@H]2C[C@@H]2C)C1 560151524 JOZWDGCJDJBSSV-TXPKVOOTSA-N 421.505 1.325 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)ccc1C#N 564486919 HLAHJIFXONRABH-UHFFFAOYSA-N 415.413 1.333 30 20 HCED C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O 569901226 OYTCADGJDWDDJL-OAHLLOKOSA-N 418.493 0.405 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)n2)c(F)c1 576055819 HJWACKYNNVVFKK-ZBFHGGJFSA-N 410.409 1.091 30 20 HCED C[C@@]1(CCCO)CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577415232 QIIARBITKZSGDC-GCJKJVERSA-N 412.490 0.929 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 579637372 XEBZLKGHXIWJKI-UHFFFAOYSA-N 412.494 0.565 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 581702256 VIQIEFIZLJMFAE-UHFFFAOYSA-N 424.552 0.163 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 604430043 IJSKWGJIQFDUHE-UHFFFAOYSA-N 424.523 0.419 30 20 HCED N#CCn1c(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc2ccccc21 609170881 ZLOVKXSPGAJBKP-MAUKXSAKSA-N 402.476 0.392 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cn2)cc1 610748298 XAGHXCXZRBUKLV-JKSUJKDBSA-N 409.402 0.833 30 20 HCED Cc1nc(=NC(=O)[C@H](C)S(=O)(=O)C2CCOCC2)n(-c2ccc(C#N)cc2)[nH]1 610893812 VYTMAOFUAAFGBY-LBPRGKRZSA-N 403.464 0.790 30 20 HCED COc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)NC1CC1 615628585 WBIBRRAGFPPNCO-QGZVFWFLSA-N 410.427 0.539 30 20 HCED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 728107640 SVCXDQLTZCQWGY-NSHDSACASA-N 410.452 0.934 30 20 HCED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)c1C 728557766 RIYFJMGKROHIAG-UHFFFAOYSA-N 414.531 0.776 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C2CC2)cc1 734230145 QVZARZVLOSQGHI-MOLDEKSUSA-N 408.480 0.325 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737307254 RCSJKZIXBNGDQR-ISLYRVAYSA-N 411.418 0.927 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1C#N 742269888 NZZIXQMJZACFHQ-NSHDSACASA-N 403.457 0.011 30 20 HCED COCCCNC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745497207 PLQVLKCEZUFFCP-OLZOCXBDSA-N 411.480 0.588 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1 746268508 PBWJPKNMYYCDHY-UHFFFAOYSA-N 407.448 0.660 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cc1[N+](=O)[O-] 749856917 PIBAGLZAJMPXTI-CYBMUJFWSA-N 412.427 0.890 30 20 HCED CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 752133042 PVUDNQOHOOEUQN-IXPAQYDLSA-N 408.480 0.685 30 20 HCED CCCCS(=O)(=O)NCC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 760691174 PYRDSCZYHOXJHN-UHFFFAOYSA-N 419.463 0.945 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cccc(OCCCC#N)c2)c(=O)n(C)c1=O 771896715 HKADYWHZCRLIIW-UHFFFAOYSA-N 405.436 0.079 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCc2c(C)nc3nc[nH]n3c2=O)c1 777361510 WCUJXPPLNJEQTH-UHFFFAOYSA-N 415.431 0.037 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782547086 PQCIILPJJUODNJ-UHFFFAOYSA-N 417.403 0.845 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 782902812 RAGLDTBXPMEKRU-UHFFFAOYSA-N 413.438 0.527 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(CCN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 783478476 CWCMHPCYLRMXME-IBGZPJMESA-N 417.531 0.912 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C(C)(C)C)cc1 784867951 GBAMUWATYCVLGR-QIIGAIICSA-N 424.523 0.961 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 793724896 POESZDNVZNBJHE-QGZVFWFLSA-N 402.495 0.666 30 20 HCED Cc1cc[nH]c1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 797907550 LJMMHDCAEZHBLV-UHFFFAOYSA-N 416.459 0.885 30 20 HCED C#CCN=c1nc(N2CC[C@H](CN(C)CC)C2)[nH]c(N2CC[C@H](CN(C)CC)C2)n1 804523882 DMSOGXQSERZYLT-RTBURBONSA-N 414.602 0.895 30 20 HCED COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 812118573 SLNGNLDUTFAGMW-AWEZNQCLSA-N 408.470 0.702 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 857763533 JHONYLGEAZVZHN-AWEZNQCLSA-N 403.460 0.640 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 916871361 SFCSAABKLFKRDS-WBVHZDCISA-N 407.492 0.949 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc1ccccc1Cl)c(=O)n2C 916910239 QYBVVHSWVYCESB-JTQLQIEISA-N 414.809 0.435 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)C1 1148194204 JIODWSKDRQLGRK-UKRRQHHQSA-N 406.508 0.988 30 20 HCED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)CC1 1303011349 IGAGIIRBOPGAID-INIZCTEOSA-N 418.527 0.992 30 20 HCED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 1314900213 NFRQKDLSZLMTDD-GUYCJALGSA-N 407.475 0.945 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1517629973 YRABQAGQYBHMDB-UHFFFAOYSA-N 418.479 0.963 30 20 HCED N#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1587542002 MWYYANVHJDMZKW-KRWDZBQOSA-N 406.508 0.815 30 20 HCED CCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1Cc1ccc(F)cc1 1646148019 OPRYORQLJMHBRA-UHFFFAOYSA-N 411.397 0.592 30 20 HCED CNS(=O)(=O)c1ccc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1656572532 SFCBLBNJFIDQHH-UHFFFAOYSA-N 402.476 0.509 30 20 HCED CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693914384 CWKDSGJFLIPELS-KKSFZXQISA-N 424.509 0.983 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740801306 VTXRYFIURKLUTF-AWEZNQCLSA-N 423.949 0.958 30 20 HCED C=C(Cl)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1749284792 OCRWVSVMTXOWJP-GOSISDBHSA-N 413.906 0.978 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CCO1 1767712458 JLRFLWMHCKLWQG-GOSISDBHSA-N 420.477 0.858 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018982 ACNLKBBDAYWZQO-XOWGOQOESA-N 415.494 0.301 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1779137551 SJUILQNLNDFBFS-LKQKOTCASA-N 417.491 0.931 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cc5ncccn5n4)CCO3)C2)c1 1780335123 QDBFWEJAEMDUMX-HXUWFJFHSA-N 405.418 0.686 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]nnc1C)C2 1780739805 ZZGKWGOBJZFOGZ-FOIQADDNSA-N 419.482 0.750 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1781271496 CKVUBCXQYOVNME-KXBFYZLASA-N 414.524 0.440 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300485 WACLOLNKQDEOJH-SZNDQCEHSA-N 416.453 0.594 30 20 HCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)ccc1F 1781321103 TWEQGBXXNLVIOJ-FQEVSTJZSA-N 405.426 0.079 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CCCS3(=O)=O)C2)CCC1 1781657617 MOKCVTWWRUHFIT-JXXFODFXSA-N 423.535 0.771 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cnc(O)[nH]5)CCO4)C3)c2c1 1782196825 LLCOMVHEAFCRJO-FQEVSTJZSA-N 421.417 0.621 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783173589 FGHULBDOHWGVOG-VLJZOPHZSA-N 419.503 0.842 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3c(F)cc(F)cc3[nH]1)CCO2 1783561858 MIDOUISPLHLDHT-FQEVSTJZSA-N 417.368 0.978 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784388374 WQUAJESACMBYAC-GOSISDBHSA-N 409.512 0.710 30 20 HCED C[C@@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1784591961 RMRKFBMLZGOFFF-QZHFEQFPSA-N 412.490 0.592 30 20 HCED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)CCC1=O 1784976083 RAHQMUBXQBCVEE-BJLQDIEVSA-N 422.485 0.626 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786368090 FFIKKAQWUMCILA-WJMCQNRSSA-N 400.435 0.650 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)c(C)n2n1 1786702894 VCJQNTQRHVWGBM-JYJNAYRXSA-N 411.466 0.638 30 20 HCED CCc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n[nH]1 1787167832 OOVSJAKWUURWLU-ZVZYQTTQSA-N 416.526 0.847 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788652835 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C=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)O)C3)N(C(=O)OC(C)(C)C)C1 1801103122 BVXBRMKDVLXELS-KSWRQPAISA-N 423.510 0.522 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)n1cccn1 1801383690 YXHJURBXKOKAAN-WCXIOVBPSA-N 402.499 0.316 30 20 HCED CCOC(=O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1802091821 AOJJZMWLIFGEJX-HTNTUIDQSA-N 419.478 0.877 30 20 HCED CN(CC(=O)N1CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1802694257 NUQXSYOSLWADMK-ZBFHGGJFSA-N 415.450 0.180 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1803564501 HQJXUGTVYRSAOV-XZKMEQPCSA-N 417.510 0.271 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803644866 YZOZVXYNMINBAT-BSWAZPDLSA-N 402.451 0.787 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1804190484 IMMJTPNKSYKWAY-GMBSWORKSA-N 413.478 0.851 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 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406.483 0.771 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1831418793 GZOCUKGHUJUQHN-KUHUBIRLSA-N 423.422 0.849 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)[C@H](O)C=C)C2)C1 1831426171 KFBWPTRGHIBYIM-LZJOCLMNSA-N 410.511 0.607 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1831432286 JTTRYLQUPWBUDI-LQWHRVPQSA-N 409.527 0.376 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1831498903 RISBJUUBWIWMLS-LPHOPBHVSA-N 409.508 0.812 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnco1)CCO2 1831932329 OYTSCEGAZQJHGR-AUEQCNTHSA-N 422.438 0.274 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](F)c1ccccc1)CCO2 1832232560 PUIPIWBLCATNCQ-ICSRJNTNSA-N 404.394 0.242 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)no3)CC2)CC1 1833468044 JYOQWYMJJBHDMH-AWEZNQCLSA-N 404.467 0.604 30 20 HCED CN(C)CCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714630 CFJNVZYSFIWKQX-UHFFFAOYSA-N 420.602 0.792 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1834763661 QJUBPSJLXBRYHF-HXUWFJFHSA-N 410.434 0.455 30 20 HCED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834986712 RBMRXZARQOUIQS-OAQYLSRUSA-N 419.453 0.733 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835195847 GAAJYDCZECGKCB-OXQOHEQNSA-N 411.499 0.932 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnc4ccccn34)CC2)CC1 1835349996 UATYRSDCISJFJF-UHFFFAOYSA-N 423.473 0.608 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCCC3)C2)C1 1835672357 AHQPQUJMMMANOS-NRFANRHFSA-N 404.511 0.835 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1 1836196134 HGZDQXSGKCRVSB-HSZRJFAPSA-N 422.485 0.700 30 20 HCED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1836881461 XSFCZXADMHBERE-KRWDZBQOSA-N 420.597 0.984 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1837403285 JUAVCMLBISDLHB-SQCZWCDGSA-N 423.510 0.056 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1837446861 JDINESVPCBRPIS-JLDPKJTDSA-N 406.483 0.219 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837663075 MXUYRYFTGXUAPX-QFIPXVFZSA-N 423.554 0.767 30 20 HCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1837957597 MOQFLEZKYCIPMZ-NRFANRHFSA-N 414.462 0.854 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838667822 YQBVRJBZBYYKHX-IERDGZPVSA-N 417.462 0.204 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)c(O)c1)CCO2 1839329201 FELUJTPGUVCMQD-SFHVURJKSA-N 423.263 0.858 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1839454142 WFNIIGRRQPOLFQ-PGRDOPGGSA-N 413.474 0.973 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839489044 MLGYVISYOFEBBF-JOCHJYFZSA-N 421.457 0.918 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@H](C)CC)C2)C1)C(F)(F)F 1839892385 LAXQUAMBIMTUAC-HACGYAERSA-N 407.433 0.935 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840201014 ZLXHEXHNZYFQOE-WMLDXEAASA-N 422.494 0.768 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840388733 IDXMFFXKRMDHIY-DNVCBOLYSA-N 410.540 0.746 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1840428331 HVNCKNRIFXTXQO-FUHIMQAGSA-N 424.567 0.930 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@H](C(=O)OC)C1)C2 1841052880 AEXZVUJHTMCTLN-FLELRFNZSA-N 403.479 0.638 30 20 HCED CCOC(=O)c1cccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1F 1846196089 JZNJTDMEKWLOFX-UHFFFAOYSA-N 402.378 0.907 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1847068616 FJBZWPVIGWYOGN-OAHLLOKOSA-N 406.483 0.243 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 29203116 SCRUERDIMROQIW-HNNXBMFYSA-N 404.496 0.691 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 50169482 XYESKOGNUOBDCA-UHFFFAOYSA-N 419.445 0.431 30 20 HCED Cn1c(NCc2ccccc2S(=O)(=O)NC(C)(C)C)c(C#N)c(=O)n(C)c1=O 64947835 MEURHRFKHUVUCO-UHFFFAOYSA-N 405.480 0.645 30 20 HCED COC(=O)C1CCN(C(=O)CO/N=C(/N)c2cccc(CN3CCOCC3)c2)CC1 116446648 KPBHUDPEJKZVKW-UHFFFAOYSA-N 418.494 0.567 30 20 HCED N/C(=N/C[C@@H](O)COc1ccc(I)cc1)N1CCOCC1 303975556 JFHSHUZQPPCNQX-GFCCVEGCSA-N 405.236 0.678 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 409559761 WZICBQKKNUFOQS-CQSZACIVSA-N 403.512 0.666 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)C1=O 410113710 VINDPVUJPXAWBB-AWEZNQCLSA-N 405.451 0.688 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)ccc1Oc1ccccc1 426978708 VFWKSWIPVUTDNT-UHFFFAOYSA-N 408.414 0.952 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccc(O)cc1 436682798 RUWYAAVVIDQOAN-ZDUSSCGKSA-N 416.459 0.477 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CC)C(=O)N2CCOCC2)cc1 438740199 UYMQIPRPTCFKER-MRXNPFEDSA-N 417.466 0.686 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 439059413 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XDCFWTDGOJKWIB-IAGOWNOFSA-N 400.531 0.594 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)cc1OC 473380644 VABUUOVWTUIWMD-UHFFFAOYSA-N 423.491 0.591 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(C(=O)C2CC2)CC1 474229961 JBBBXGKCSMCJPS-AWEZNQCLSA-N 404.492 0.696 30 20 HCED CN(CCC#N)C(=O)CCS(=O)(=O)Cc1cccc(S(=O)(=O)N(C)C)c1 478364204 ASKPZNXMRXEJLJ-UHFFFAOYSA-N 401.510 0.614 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1Cc1ccon1 480957876 WONHUYISUCIPKJ-UHFFFAOYSA-N 424.482 0.984 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 484374457 MSUYEKJWCNQWBC-GOSISDBHSA-N 400.479 0.955 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)CCCN3CCOCC3)C2=O)cc1 486632388 SATQOPOOCWYHAH-GOSISDBHSA-N 406.508 0.301 30 20 HCED CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 490231777 RZSRPPYLQYIAPS-IAGOWNOFSA-N 419.507 0.334 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2OCC2CC2)CC1 491245963 APVLAFYLLHWAOW-UHFFFAOYSA-N 400.479 0.860 30 20 HCED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1=O 499460874 YEFSNZPXRKCFCL-LBPRGKRZSA-N 407.224 0.911 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501657605 LIDHXSVSVPGMDK-UHFFFAOYSA-N 407.477 0.676 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 506591072 NOXAKHQOLLXDOV-RCCFBDPRSA-N 418.519 0.883 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 508672731 VVWILNNMNCFQHW-IRXDYDNUSA-N 419.507 0.777 30 20 HCED C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 508882476 YEYZZRJWUOMEOM-OAHLLOKOSA-N 418.523 0.905 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(CC)c1=O 512742279 KKTQSHSKJYIAPZ-UHFFFAOYSA-N 403.533 0.225 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)C1=O 522585807 SMNDJJNUNQWOKZ-LBPRGKRZSA-N 422.388 0.960 30 20 HCED CCS(=O)(=O)NCc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 525060650 KPNYOPWWPBSVOO-UHFFFAOYSA-N 408.524 0.814 30 20 HCED COc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c(OC)c1OC 525267287 KAQNGIDSGCVZAT-UHFFFAOYSA-N 402.411 0.577 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2cccc(C)c2C)c1=O 532799846 KZEGPMNYORJQNR-UHFFFAOYSA-N 407.499 0.981 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CCCCS3(=O)=O)n2)c(F)c1 542284997 MVNYEQLZSYFTGS-ZDUSSCGKSA-N 419.438 0.905 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCc2nnnn2-c2ccccc2)cc1 549277475 DZJSOZZICRYRQY-UHFFFAOYSA-N 419.445 0.876 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccccc2)CC1 558601153 ALGSVCQLTLPAPK-RTWAWAEBSA-N 414.506 0.421 30 20 HCED CN(CCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)CC(F)(F)F 559923560 MMGVCTKUWONJFG-UHFFFAOYSA-N 412.416 0.602 30 20 HCED C[C@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 560326978 WWWWGTZXIIXPLF-AWEZNQCLSA-N 403.531 0.881 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 567540051 BLYWKMGCBFTPDN-JLSDUUJJSA-N 414.462 0.480 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 571003756 SGDOYVMTALFPOD-UHFFFAOYSA-N 418.431 0.478 30 20 HCED COc1ccc(COCCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 571188036 NYHULLNKXUTODL-UHFFFAOYSA-N 423.473 0.943 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)n1 573494303 HVDNJRHYEOSXFH-UHFFFAOYSA-N 421.339 0.311 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C)[S@]1=O 577803957 MBOAHPNDPJHYEP-PVLCWKDFSA-N 400.464 0.835 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)[S@]1=O 577803960 MBOAHPNDPJHYEP-JUCITSJASA-N 400.464 0.835 30 20 HCED CCOCCN1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587653690 IQXSIRLZVHPWTP-UHFFFAOYSA-N 414.510 0.219 30 20 HCED CCCC(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589393459 MAPUMXGNGQDSTI-UHFFFAOYSA-N 409.450 0.985 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 589488188 CVZZDOPUYOJCCZ-UHFFFAOYSA-N 410.459 0.981 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2cnccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 590013978 PIAXDRNKURSSIO-FUHWJXTLSA-N 419.551 0.889 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCC)c2)c1=O 603985952 GCWQZZQDJDNOEO-UHFFFAOYSA-N 413.499 0.760 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 608890509 IQYOHVMIXSTUEX-KRWDZBQOSA-N 422.441 0.729 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 615980070 RSXPAHZWZUORAI-UHFFFAOYSA-N 417.495 0.862 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2F)CC1 728533846 UAXBKABKNVANAK-UHFFFAOYSA-N 424.498 0.020 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 728572863 NVSBKJZWLDYJRE-UHFFFAOYSA-N 400.401 0.538 30 20 HCED N#Cc1cnn(CCOC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1N 729810871 GUKCULLPPFCZKV-CTEOGUNLSA-N 422.445 0.683 30 20 HCED O=C(CNC(=O)NCc1ccc(Cl)cc1)NCCN/C(O)=C1/N=CC=CC1=O 732154778 UUDSEILETKIIPL-MSUUIHNZSA-N 405.842 0.782 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732781793 TWEZPRDDBJHBOJ-HNNXBMFYSA-N 419.551 0.400 30 20 HCED C#CCOc1ccc(C(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1 745212740 JQEKJJWBAKEQKY-UHFFFAOYSA-N 413.430 0.837 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 751368548 GXBDVOOOJLKWIL-ZIAGYGMSSA-N 403.460 0.024 30 20 HCED C#CCOCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 753239468 AVHBYHNFWRZWML-GOSISDBHSA-N 410.492 0.917 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)c1 754772919 MSGFVVDBTITLIW-UHFFFAOYSA-N 422.282 0.161 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCC)c2)c1=O 758051768 NONPBIHQMSKMOE-UHFFFAOYSA-N 411.483 0.207 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(Cl)c2)c1=O 758082665 FAOVHSYNGNCUPP-UHFFFAOYSA-N 419.865 0.601 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758775004 IPPHMUYWYMSCRV-JYJNAYRXSA-N 411.503 0.080 30 20 HCED NS(=O)(=O)c1ccccc1NC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2 761225586 ICKCARRRFOCXMY-UHFFFAOYSA-N 402.384 0.596 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cncs3)c2=O)cn1 767882072 BQNXMMCBZUIKLU-UHFFFAOYSA-N 414.516 0.600 30 20 HCED Cc1nc(C)c2c(C)c(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)sc2n1 771898116 UMMWOUHWANKKEU-UHFFFAOYSA-N 422.492 0.326 30 20 HCED C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCN1S(C)(=O)=O 776296340 BTXNKAWYRJIPAG-AWEZNQCLSA-N 405.480 0.246 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 781518317 QCQFNBYKEHVLOQ-KGLIPLIRSA-N 412.425 0.801 30 20 HCED Cc1cc(S(N)(=O)=O)cc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1C 784333325 DSSUPAWQTKZBMH-UHFFFAOYSA-N 401.404 0.928 30 20 HCED C#CCCN1CCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 797616547 NGWYWSFSTSPWBW-FQEVSTJZSA-N 405.520 0.609 30 20 HCED C#CCC[C@@H](O)CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 798486309 PCOXSTOLOACNCU-SNVBAGLBSA-N 416.297 0.692 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2COc3ccccc3[C@H]2O)n1 810414675 AFPFIPIVGZZHNX-RDTXWAMCSA-N 404.386 0.688 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)cc1 856434262 XHBPBQOADPMPAK-CYBMUJFWSA-N 423.491 0.420 30 20 HCED N#CCN(C(=O)COC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 904530540 TTYPRFUTVFHSDV-UHFFFAOYSA-N 420.433 0.836 30 20 HCED Cc1cc(C=NNC(=S)NCCN2CCOCC2)c(C)n1CCN1CCOCC1 915941089 OSFITTFTGFNMMI-UHFFFAOYSA-N 422.599 0.567 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c2=O)cc1 916198035 AWZPRWHVTMLEJA-UHFFFAOYSA-N 415.515 0.983 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 916868409 MKNMRKDNVSJPIA-HOCLYGCPSA-N 403.414 0.497 30 20 HCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 916873265 RDEYMIMOOQNWSD-AWEZNQCLSA-N 407.448 0.471 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916874911 HQALVFJXUAXJGE-MRXNPFEDSA-N 409.464 0.183 30 20 HCED CN(C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(C)(C)C#N 919183083 SIGHBWLTXCCRBG-ZBFHGGJFSA-N 405.426 0.634 30 20 HCED C#CCOCCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1065708600 GABQOSUYGYBUQI-KKEPMVJESA-N 401.507 0.195 30 20 HCED CCCCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1119600578 XIEOLGNBMMIASS-SFHVURJKSA-N 411.506 0.972 30 20 HCED COc1ccc(S(=O)(=O)CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1124650881 MTYRPTDUCGALIY-UHFFFAOYSA-N 419.463 0.929 30 20 HCED CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1297688866 XAKIWMOZXPLXCX-KRWDZBQOSA-N 421.458 0.802 30 20 HCED Cn1c(=O)[nH]c(N2CCC(O)(c3scnc3Br)CC2)c(C#N)c1=O 1307106728 MEZYLAOVBHFTTG-UHFFFAOYSA-N 412.269 0.652 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCO1 1309752766 WFBBTWROJAKUTE-WCQYABFASA-N 402.835 0.643 30 20 HCED Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1314912854 OJFMVVXAEXPNPZ-UHFFFAOYSA-N 418.523 0.963 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)nc1 1319830900 DOCLOXBOSJHVLX-VQIMIIECSA-N 419.507 0.521 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)c1 1320122753 ASUODCZSLMDVRY-GOSISDBHSA-N 418.471 0.985 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2(O)CCOCC2)cn1 1323518879 JGXURJORPNOYOK-AWEZNQCLSA-N 409.512 0.902 30 20 HCED C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1359475795 RHTFVRVIBODLGO-OAHLLOKOSA-N 403.512 0.895 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(C)COC1 1503621931 LIJHMTYNABYYFO-UHFFFAOYSA-N 404.496 0.839 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1519522331 LFKGAXYXUGQMKW-UHFFFAOYSA-N 416.507 0.953 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1c(C#N)c(C)nn1C 1585832664 LTTYYKUAKJWPRX-UHFFFAOYSA-N 419.463 0.882 30 20 HCED CN(C[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1625497652 QPWSKTKRTUQEET-CYBMUJFWSA-N 405.455 0.926 30 20 HCED CN1CCO[C@H]([C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1632037993 XJZAEYUEXDIGOU-DOTOQJQBSA-N 417.853 0.662 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(F)cc1 1692800759 LGFHFMFABWUSAG-CZUORRHYSA-N 422.486 0.999 30 20 HCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 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422.522 0.568 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)cn3)CCO2)C1 1837892668 WPNHAEGDQGHPPQ-QRWLVFNGSA-N 421.881 0.843 30 20 HCED Cc1nccn1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953223 RZZOGMWRZUKLBE-QFIPXVFZSA-N 423.473 0.833 30 20 HCED CC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453638 VKIPKGUCTGXMMC-OAQYLSRUSA-N 414.462 0.073 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839843533 GSYYKCKQBQGXAL-KKSFZXQISA-N 418.494 0.948 30 20 HCED Cc1cc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1840045052 OFUWRPGTSVPUIX-FQEVSTJZSA-N 422.384 0.431 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840161333 LGODSZQLLYLYEJ-YJYMSZOUSA-N 424.523 0.313 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1840161624 VZRBZYWZMPIRMN-ORAYPTAESA-N 404.492 0.951 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCSC)CCO2)C1 1840201013 ZLXHEXHNZYFQOE-RHSMWYFYSA-N 422.494 0.768 30 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N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 56331113 WZZQSIDKNAJACG-UHFFFAOYSA-N 407.473 0.900 30 20 HCED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1=O 410306491 BFEZBVRJZYMCMR-MRXNPFEDSA-N 408.480 0.996 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 431493149 APMAKAJCXIKYKW-UHFFFAOYSA-N 408.480 0.316 30 20 HCED N#CCC1(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 435957661 KFVRJZCPCHNEQJ-JSGCOSHPSA-N 408.436 0.529 30 20 HCED N#CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)C1 436989475 MDOJOLPXTDDGMP-UHFFFAOYSA-N 401.444 0.971 30 20 HCED CCS(=O)(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 444322712 VGNKVHIRBGKCIC-ZDUSSCGKSA-N 413.521 0.651 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)c(Cl)c1 444526887 QAZXULWZYRDQST-UHFFFAOYSA-N 422.898 0.794 30 20 HCED C[S@](=O)Cc1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446533664 VVBVLYRJWZKCTP-NDEPHWFRSA-N 406.508 0.578 30 20 HCED COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 460586443 XMQWQRXGKQZHCM-OAHLLOKOSA-N 422.445 1.188 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 461356986 YSZYYUYQVZYVPB-MRXNPFEDSA-N 417.491 0.810 30 20 HCED COc1ccc(CC(=O)N2CCOC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 461633013 ROEYXPDOJGHRKH-HNNXBMFYSA-N 409.464 0.010 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(C(=O)N(C)C)c1 465503753 OHVXUOMKYYPWBM-AWEZNQCLSA-N 414.491 0.949 30 20 HCED COc1ncc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1C(N)=O 475163236 LZSGBJWDNWFQDM-UHFFFAOYSA-N 422.445 0.344 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 475478000 NLERILPTPJAMDD-UHFFFAOYSA-N 415.494 0.788 30 20 HCED C[C@]1(C2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 476262042 VRUHLOGLMLYTFE-HTAPYJJXSA-N 423.473 0.886 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@]2(C#N)CCOC2)cc1 478646830 ZQHMFXZDFKFSFR-SFHVURJKSA-N 411.480 0.383 30 20 HCED Cn1c(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)sc(=Cc2ccccn2)c1=O 480000247 CTGQJETXCKPCIW-UHFFFAOYSA-N 420.450 0.755 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC2CCOCC2)CC1 482219875 SQSJZAZNMPUIKO-INIZCTEOSA-N 420.535 0.796 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCc2cccnn2)CC1 482830934 VNXYLRYNCXCVBX-UHFFFAOYSA-N 401.430 0.861 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)ccc2OCC)CC1 491260072 SXTODWQLZNLOTO-UHFFFAOYSA-N 404.467 0.479 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1 497576621 NIDZQTPWMYFZSU-UHFFFAOYSA-N 424.507 0.717 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 498434939 MBUUQRKQTDLZBW-QGZVFWFLSA-N 406.552 0.863 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2nnnn2CC2CC2)cc1Br 499550845 CBGHWOAKNDNSGL-UHFFFAOYSA-N 404.228 0.972 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1F 502048907 HRAUTRLTHGBNHM-UHFFFAOYSA-N 411.462 0.801 30 20 HCED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507764880 ZCZFVUCDVSNIGI-WMLDXEAASA-N 409.450 0.399 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)n1 508366117 UUUDPMDAGVAMKP-UHFFFAOYSA-N 422.405 0.819 30 20 HCED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508492348 WAYIRNCUNYAXAI-HNNXBMFYSA-N 405.462 0.683 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(N)=O)C[C@@]12C(=O)Nc1ccccc12 514024413 KHPVYNGROLSDEH-SOIKWTOOSA-N 410.478 0.381 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCSC 514914385 TVCPWQQEZGSEGZ-UHFFFAOYSA-N 418.544 0.324 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cscn2)c1=O 522275627 ZQQHIVMWVGYSSB-UHFFFAOYSA-N 404.517 0.528 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccsc2)c1=O 523476753 HVFKOKRTAFJXPY-UHFFFAOYSA-N 407.517 0.273 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(F)cc2F)c1=O 533120403 ZDDDUPFYEJEMKP-UHFFFAOYSA-N 415.425 0.643 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(CCC#N)n1 533454303 DIDRHJUCAIPFCM-CQSZACIVSA-N 407.438 0.443 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1Cc1ccon1 533715580 WULMDHUMTOMVNT-UHFFFAOYSA-N 418.837 0.988 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CC2(C#N)CCCC2)c1 544720807 UQMLWBFTETUQFZ-UHFFFAOYSA-N 414.509 0.537 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2CC)c1=O 547962399 JJRDGZCRZQKNOX-CQSZACIVSA-N 416.503 0.271 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)c(C(F)(F)F)c1 548207999 RJQFGIOASQZBOS-GFCCVEGCSA-N 407.370 0.641 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C 549943497 CMZPNNBFDZGAEO-UHFFFAOYSA-N 403.508 0.099 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccc(C#N)c3)C2=O)cc1 550586771 YZKWGCBJWTXOQY-LJQANCHMSA-N 401.426 0.963 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCN3CCOCC3)C2)c(F)c1 555614664 NBGNUXCRISSGCD-KRWDZBQOSA-N 417.485 0.621 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCCc1ccc(OC)c(OC)c1 556413380 ZPLOOOKDNWEAIN-UHFFFAOYSA-N 410.452 0.320 30 20 HCED C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 557747115 KORXOYUAVFOFAZ-FUEZWAHWSA-N 409.446 0.153 30 20 HCED Cc1cnn([C@@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)c1 558544225 ZKTMDWKWPPVEAF-QGZVFWFLSA-N 404.434 1.115 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2cccnc2)C(C)C)CC1 571919606 SLZOVYKJGOTKJQ-GOSISDBHSA-N 401.511 0.384 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1 573641641 DZCJQXOMVGUOPL-INIZCTEOSA-N 424.523 0.967 30 20 HCED COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 577906667 WMJJNDHBLHYICB-UHFFFAOYSA-N 415.406 1.486 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2cccc(F)c2)CC1 580840778 ICKIOYRVMGEQOY-HNNXBMFYSA-N 406.458 0.156 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(OC(C)C)nn3)CC2)c1C#N 583175952 ZNWGVPQANYWOPJ-UHFFFAOYSA-N 415.479 1.188 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(c3ncccn3)CC2)cc1 589310610 YYCDUEXMULGLAZ-UHFFFAOYSA-N 400.464 0.412 30 20 HCED CCOC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)sc(C(C)=O)c1C 603504383 GHVPJSWDZXAQPZ-UHFFFAOYSA-N 418.431 0.807 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccco3)c2=O)cn1 608884800 ZMTGZVHMCRVAPK-UHFFFAOYSA-N 410.455 0.923 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 609563055 UTRIAQFOMRPTRZ-AWEZNQCLSA-N 407.430 0.999 30 20 HCED CCN(CC(=O)NC(C)C)C(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 610967512 BZTSFJODVOLLIQ-UHFFFAOYSA-N 402.499 0.919 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@](F)(C#N)C2)c1 615662250 ULOUKYMOAAUYGP-SFHVURJKSA-N 410.471 0.851 30 20 HCED CCS(=O)(=O)NC1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726586973 SXFARMFIGDYOOD-UHFFFAOYSA-N 419.507 0.684 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 731126371 IKCYQTQEAUNHFQ-UHFFFAOYSA-N 408.414 0.169 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 731129991 FGYUMTAGVXYICF-UHFFFAOYSA-N 411.505 0.132 30 20 HCED CCc1ccccc1N1C[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910065 KZXCZXITVSFTSH-CVEARBPZSA-N 417.487 0.568 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)nc3c(c(O)nn3C)c2C)CC1 733364959 WLGFZGMLKSMIMW-UHFFFAOYSA-N 412.494 0.117 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 734695400 FSTMASCCFJYFRO-UHFFFAOYSA-N 406.395 0.630 30 20 HCED C[C@@H](CC(=O)NCCN1CCOCC1(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742631635 OWYMOHDUCSJPQV-AWEZNQCLSA-N 408.524 0.731 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 747736381 FKNZVSWVVCJGJI-UHFFFAOYSA-N 424.548 0.354 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@H]2CCOC2)CC1 749510422 FGSSEYJCYFBRIS-MRXNPFEDSA-N 420.535 0.686 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@@H](C#N)C1 754378399 FCYCCPQPKBKZPN-ZDUSSCGKSA-N 405.455 0.822 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 755556424 ZAXTXRJPGCXBES-KBPBESRZSA-N 419.486 0.258 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 756894186 IRACZSOEXVPPTJ-LSDHHAIUSA-N 408.480 0.964 30 20 HCED N#CCc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 758697611 IWYQODHLDWCSAD-UHFFFAOYSA-N 401.444 0.916 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CC(=O)NCC#N)C1 759490967 YRLHAKRJCTVSSD-HZPDHXFCSA-N 407.515 0.854 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 761037833 QKBNVGMCMWNBPB-UHFFFAOYSA-N 406.552 0.899 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2nc(CS(C)(=O)=O)no2)[C@H](C#N)C1 765239015 DAFXXQKBHVUABN-NXEZZACHSA-N 414.444 0.495 30 20 HCED CC(C)CNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767679611 IREBNGLRFGXMSP-GFCCVEGCSA-N 410.452 0.250 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(C(=O)O)CCOC1 776681081 LPLSNBUXRIWEBI-GOSISDBHSA-N 409.464 0.645 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCN2CCNC(=O)C2)C1=O 781103539 SODWXGIWBVZUJY-CQSZACIVSA-N 407.471 0.325 30 20 HCED C[C@H](OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)C(=O)NC1(C#N)CCC1 787579573 FVECVOJOUQVDDX-BEVHLOIGSA-N 416.434 0.531 30 20 HCED CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787786714 CBNIFKPTFCZVEV-ZBFHGGJFSA-N 416.482 0.855 30 20 HCED COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(c2c(C#N)c(C)nn2C)CC1 788277296 YTXOSLVPDTWXGK-GZTJUZNOSA-N 418.523 0.702 30 20 HCED CNC(=O)c1c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]c1C 799104457 VAKQKIGBFHIZIL-UHFFFAOYSA-N 404.452 0.535 30 20 HCED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 799201059 WEDSMAZUXAIIAE-UHFFFAOYSA-N 414.531 0.857 30 20 HCED Cc1[nH]c(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cc1C(=O)O 800813429 YWUJOMWHRUCUBG-UHFFFAOYSA-N 406.468 0.798 30 20 HCED C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CC1 800940220 KLBWEDIMMGPCIT-UHFFFAOYSA-N 407.467 0.916 30 20 HCED CS(=O)(=O)c1ccc(OCCOC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 805463948 OUCNDPHLCQXARA-ZCXUNETKSA-N 408.432 0.929 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 809304897 SBCBOFKRINLMRN-IPMKNSEASA-N 419.909 0.815 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)[C@H]1CCCO1 809309591 GLJVUWQZXPJIFD-RTBURBONSA-N 413.474 0.553 30 20 HCED COc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CC2)c1 809503604 FZQCPFOEWBVLMH-UHFFFAOYSA-N 409.446 0.935 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2(CO)CCCC2)cc1 810417427 JLKGBVUNZWURMN-CJLVFECKSA-N 422.507 0.859 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(N(C)C)nc2)CC1 814850733 AOSIUBDCXQZECO-UHFFFAOYSA-N 404.500 0.320 30 20 HCED Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 821639601 FMQZBNKWAYVWLT-UHFFFAOYSA-N 416.401 0.645 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(N2CCCS2(=O)=O)c1 1116604935 YQBZNPSFAVBVQS-HNENSFHCSA-N 418.475 0.759 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)COc1cccc(Br)c1C#N 1294449447 WWJFELXONOAJAN-CYBMUJFWSA-N 412.284 0.851 30 20 HCED COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1298155825 XJIWHEUDNLGBQY-MLGOLLRUSA-N 402.432 0.651 30 20 HCED CC(C)SCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 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30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)c1 1779381771 DVNSXLQSHRIILF-IBGZPJMESA-N 410.390 0.947 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)C(=O)Nc4cccnc4)CCO3)C2)c1 1780335496 VVGMCUQTYPQWJO-HXUWFJFHSA-N 408.418 0.364 30 20 HCED CN1CCN(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1780697075 WXRQNPZUXAFWFI-QFIPXVFZSA-N 411.506 0.249 30 20 HCED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171382 VMOQSMNRSBIKRQ-NRFANRHFSA-N 414.462 0.075 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c(C#N)c1 1781172277 GAWDIWRZJNHHRZ-UGKGYDQZSA-N 410.474 0.467 30 20 HCED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cc1O 1781960380 MFSFBFCINIIHGL-HXUWFJFHSA-N 413.409 0.894 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1)C2 1782010561 CAUMHUXPYIFUDE-DYESRHJHSA-N 400.431 0.667 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1782053034 QOAYHFYAJMCNFE-VGOFRKELSA-N 410.474 0.836 30 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1829759983 OMVMDEUOQXMODS-OLEQZPESSA-N 403.479 0.267 30 20 HCED C=C1CC(C(=O)N2CCC([C@H]3CCCCN3C(=O)CN(CCO)CCO)CC2)C1 1831483198 LYJPROFLWGCDDU-HXUWFJFHSA-N 407.555 0.859 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831875501 RILSZBIRVUKKGX-QFIPXVFZSA-N 423.473 0.984 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834084200 IVGMCVGPKKFYHA-OXJNMPFZSA-N 419.482 0.656 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834117461 DBPKCCCBXUOEFZ-UTKZUKDTSA-N 420.510 0.372 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834367384 VTJJFTGDROCLGZ-YWZLYKJASA-N 407.467 0.626 30 20 HCED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1834719147 PXYDUWLHEOICLN-LJQANCHMSA-N 405.838 0.871 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1ccccc1)CCO2 1835093398 BEAJLPLKEUSELA-FQEVSTJZSA-N 418.471 0.323 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095825 GZPWSRGDWKMSCG-AUSIDOKSSA-N 410.470 0.533 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCCO5)C3)C2)CC1 1835344752 SIYQVDZPTQOIFL-FQEVSTJZSA-N 415.450 0.039 30 20 HCED COc1cc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)CCC#N)CCO3)ccn1 1835354886 JFFVDUUMWMQXRE-NRFANRHFSA-N 416.478 0.783 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254002 PVWZEGUIKIWXCP-HEDKFQSOSA-N 403.479 0.081 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@@H]3C1)CCO2 1837288935 KNSZLVJSWSRFJC-VAWZGJIGSA-N 417.550 0.977 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)(C)C)C2)C1 1837392949 IYLFAXIWZWRWJD-KKSFZXQISA-N 412.527 0.831 30 20 HCED CC(C)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489284 BTUFCDNVWFXDGT-NRFANRHFSA-N 410.486 0.890 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838117591 KTPGXZGHRZQXGK-OAQYLSRUSA-N 424.461 0.641 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838288428 XFAPJLBMWJLMTI-MRXNPFEDSA-N 412.600 0.551 30 20 HCED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949934 FBKOYYZIWDZADF-NRFANRHFSA-N 409.446 0.676 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715719 SUZSHBYUCVGRSD-JXFKEZNVSA-N 421.498 0.449 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1)C(F)(F)F 1839892034 OTFBXCITVYWFSD-KRWDZBQOSA-N 416.400 0.766 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1)C(F)(F)F 1839892414 MDPKQBYTJNPHRJ-AWEZNQCLSA-N 410.418 0.188 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1840160607 NBXBXXDUAWCAKR-GDZNZVCISA-N 414.553 0.718 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163866 QDXKVASTDOKPDY-FRQCXROJSA-N 401.573 0.739 30 20 HCED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840521076 RDVDORPNBHLLQQ-JOCHJYFZSA-N 415.490 0.984 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cn[nH]c5cn4)C3)C2)CCC1 1840814186 SGSBTSXPYWGVFY-OAQYLSRUSA-N 424.461 0.722 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCC(=O)N1CCCC1)C2 1841054051 GHQWXQLAAMIQBB-SREVYHEPSA-N 402.495 0.451 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1841055336 VCMHLEBNKHJJOJ-KIUVSXKZSA-N 414.506 0.449 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1841604877 VEXMHIJUIAGRLF-UHFFFAOYSA-N 400.439 0.217 30 20 HCED COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)CC#N)C2)NC(=O)OC(C)(C)C 1846304379 FKYKFLYBDUWGBG-CYBMUJFWSA-N 408.455 0.560 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 42396090 ZFXXIBRQWNQMBO-UHFFFAOYSA-N 406.508 0.142 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 409521448 VRCUFCICAXQVNR-GFCCVEGCSA-N 404.470 0.684 30 20 HCED CN(CCCOc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 409570622 PAEYFAHOKIIBJR-HNNXBMFYSA-N 417.509 0.260 30 20 HCED CNC(=O)[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 429179228 GYOGXOICMLEFAC-INIZCTEOSA-N 407.496 0.345 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 430412685 IHJBQZFUSNXMJN-JOWFITRBSA-N 408.451 0.035 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 431642898 JDNUDNBDYQEVKU-CYBMUJFWSA-N 404.514 0.371 30 20 HCED C=CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1)[C@H]1CCS(=O)(=O)C1 432806437 PFIWMPSUANPZAE-LBPRGKRZSA-N 402.498 0.539 30 20 HCED C[C@H]1CCS(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 433255610 HYXCUPJNUKRGPC-HOTGVXAUSA-N 410.565 0.966 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 437403680 ICVFXBQBRSDCKI-HNNXBMFYSA-N 401.467 0.904 30 20 HCED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 439223805 OCAYVIFTEMXEPI-QGZVFWFLSA-N 403.531 1.149 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCn4c(O)nnc4C3)n2)c(Cl)c1 440754145 IOUUPOHZSWOQMC-UHFFFAOYSA-N 412.797 0.675 30 20 HCED CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCNC1=O 441520099 AUEQXTCEOBQFFF-QGZVFWFLSA-N 404.492 0.696 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1OC 461485938 JWUBWSHKOVVPQW-HNNXBMFYSA-N 424.523 0.724 30 20 HCED C=CCCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 467318301 OXVKGPPNYFGVAS-UHFFFAOYSA-N 411.480 0.689 30 20 HCED C[C@@]1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO[C@@H]1C1CC1 467943249 NSPXTQUBLMDCGX-UTKZUKDTSA-N 408.462 1.458 30 20 HCED CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472280914 RRQZGPKPWOQFFO-UHFFFAOYSA-N 416.507 0.861 30 20 HCED COc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)N(C)C 478245383 AOGWKDKJHKCKRN-UHFFFAOYSA-N 424.523 0.634 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@H]2CN(C)CCN2C)c(C#N)cn1CCOC 481382168 YUJTXXWYESOKDZ-HNNXBMFYSA-N 406.487 0.550 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 482193097 NQUDIEBCRNDQGF-AVGNSLFASA-N 401.510 0.505 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3)c(=O)n2CC)CC1 489176174 DXNSSIRGIIFDQV-UHFFFAOYSA-N 410.543 0.905 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 495566067 UDSWXMUXNKLKDV-KRWDZBQOSA-N 421.567 0.569 30 20 HCED C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 508793062 HGGIQDLGZYNQQA-HOTGVXAUSA-N 424.571 0.893 30 20 HCED Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C)c3=O)s2)cn1 509383844 JETKHVXTAXOWMA-UHFFFAOYSA-N 411.512 0.690 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1=O 510344168 VPEXMURYSXSFOI-CMPLNLGQSA-N 400.482 0.708 30 20 HCED Cc1nc(SCC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C 517342221 BHCGQFZOVYFWAQ-AWEZNQCLSA-N 424.548 0.780 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cn1 524575096 CQNQFSYKYYRVRC-UHFFFAOYSA-N 417.466 0.829 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 533318196 RMQGSGIREAYBAC-AWEZNQCLSA-N 403.487 0.103 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 538033023 OJOJSSBLEAZOLL-CQSZACIVSA-N 402.455 0.298 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 538589962 GCELINNPHSULAW-UHFFFAOYSA-N 415.494 0.858 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO 540453291 BZHZBQCSASNPDE-AAEUAGOBSA-N 423.413 0.359 30 20 HCED COC(=O)[C@@H](O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540550526 UYBPNKKHMFYMMO-APWZRJJASA-N 420.535 0.703 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCS(=O)(=O)NCc1ccccc1 542824493 GWOABXFOEGLPBW-UHFFFAOYSA-N 419.511 0.557 30 20 HCED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 549256783 DDJCEXBBPADROF-INIZCTEOSA-N 424.571 0.403 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 551367486 PJVPGIGYXJFSAS-UHFFFAOYSA-N 413.478 0.950 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1cccc(N2CCCC2=O)c1 551582436 RLNXVFMPEWVUQU-UHFFFAOYSA-N 405.436 0.709 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC(=O)N1C 554158500 KBZHVYMENNYLPT-UKRRQHHQSA-N 401.442 0.471 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 554297848 VWVFSJKCCVQTQK-INIZCTEOSA-N 409.508 0.796 30 20 HCED CCCC(=O)NC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 555021672 OAINSHQLVSGOER-MRXNPFEDSA-N 406.508 0.991 30 20 HCED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 559005961 BCQCYHPWDKFTPT-PKOBYXMFSA-N 418.542 0.933 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 561807157 BHECQANRUCMAOW-UHFFFAOYSA-N 415.415 0.108 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(OCCN3CCCC3)CC2)cc1 565452827 MXALYPZRDNGPIH-UHFFFAOYSA-N 420.535 0.940 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1C(N)=O 571260032 CXCXJFOQFACMOO-UHFFFAOYSA-N 401.448 0.572 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)cc1 576619802 GLBTZJKPVVMEDL-UHFFFAOYSA-N 413.503 0.966 30 20 HCED COc1ccc(OC)c(CN(CCO)C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 577426655 ZMAUJWXJTKYDON-UHFFFAOYSA-N 415.450 1.312 30 20 HCED COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)cc1 588127438 HMYWQJJDIDJALW-SFHVURJKSA-N 413.478 0.016 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 588889586 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N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)N3CCOCC3)C2=O)cc1 733829736 HZARAKTVZPSISA-HNNXBMFYSA-N 400.391 0.165 30 20 HCED C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NC(=O)NCc1ccccc1 741339963 KDPTVZNDKPMRHM-JPWUFHEYSA-N 414.418 0.861 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1C1CC1 742850528 HMWRBXZFKPCOFO-CQSZACIVSA-N 417.495 0.922 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1C1CC1 742851138 NGLWFYQGYLHOEN-UHFFFAOYSA-N 417.495 0.923 30 20 HCED COc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)N(C)C)cc1OC 746343386 FFSRWIWHZRAWCS-OAHLLOKOSA-N 400.439 0.781 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CCC3(CC2)OCCO3)cc1 746441391 GSQKWTCFVYFPQQ-UHFFFAOYSA-N 408.476 0.376 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 748227655 RSOHVLIYEUIRKB-UHFFFAOYSA-N 402.432 0.576 30 20 HCED C[C@H](NC(=O)COC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(=O)N(C)C 748410081 KXEOPVNVCHMAML-ZDUSSCGKSA-N 409.464 0.514 30 20 HCED 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Cn1c(=O)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)nc2ccccc21 1793258623 RPSHDOWFDABPSO-CWPLJXCYSA-N 420.469 0.550 30 20 HCED COc1ccc2cc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)[nH]c2c1 1796918753 PZUQRFISZVOFBS-VTEUUUEMSA-N 411.414 0.468 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)NC(=O)OCC)C2 1797648563 FAIRYHGDBIYOIZ-IWSXDTNSSA-N 409.483 0.409 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)O 1800748117 UQMDMUIEDIALKK-RBZJEDDUSA-N 411.499 0.426 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@H](C)CC(N)=O)CC2)C1 1804851396 VRSGPPZCPJKKGN-OGZRUICASA-N 404.511 0.588 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)[C@H](C)NC(=O)CC)C2)CC1 1805865886 ATIAQEIJFWPPOA-QWPQOLDESA-N 418.538 0.991 30 20 HCED CCOC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1810090417 PJHVPOFFGHTRLP-YVWKXTFCSA-N 414.462 0.565 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)C3=NNC(=O)C3)[C@@H]2c2cccnc2)c1 1811540672 KMHOJBUOBLFPTC-KBXCAEBGSA-N 405.418 0.477 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)Cn3ccncc3=O)[C@@H]2c2cccnc2)CC1 1812341145 CIBNSACAVZHKBF-APWZRJJASA-N 406.446 0.648 30 20 HCED CNc1nsnc1C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812873192 JLZFUEHDWHPWJI-LRDDRELGSA-N 414.447 0.382 30 20 HCED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)[nH]n1 1815116474 LBYGOFFWRUYBAN-OAHLLOKOSA-N 420.433 0.860 30 20 HCED NC(=O)c1ncccc1C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1816077525 UXGLRLLSYMXOAB-ZDUSSCGKSA-N 410.390 0.298 30 20 HCED NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)cc1 1822203502 AIVDFFVSCYFJRB-OAHLLOKOSA-N 409.402 0.903 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCN2CCOCC2)CC1 1826749780 JMADKGQNDBYWDS-GOSISDBHSA-N 405.495 0.416 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1S)CCO2 1829790159 OTMURZBXBKCXHL-HXUWFJFHSA-N 401.488 0.854 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830945704 PPVRERMCOIUVMG-UWJYYQICSA-N 420.510 0.319 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C)n3)C2)C1 1831393375 KVVIOUJESOAANU-GCJKJVERSA-N 415.490 0.807 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n[nH]1 1831493874 VLAQUDQXEKISAU-MJGOQNOKSA-N 410.540 0.671 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1833077400 WHIDSXCKXDZYMJ-XVWMLYKFSA-N 408.568 0.735 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834151243 XTVQXFFNTAGFNR-DKLCPLSMSA-N 402.407 0.457 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834153555 YYJIGDGBGGRDFR-LJQANCHMSA-N 407.423 0.254 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834193496 RXULYGUJYICMAH-MGPUTAFESA-N 420.466 0.658 30 20 HCED CCc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834521119 YVTFJWHJTAGLPE-HXUWFJFHSA-N 413.434 0.821 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCC(=O)NC4)CC3)CC2)CC1 1834599170 FBMJRBDSQUVDGY-HNNXBMFYSA-N 401.511 0.388 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCNC(=O)C4)CC3)CC2)CC1 1834603717 VSPDRCSLWFDYBB-OAHLLOKOSA-N 401.511 0.388 30 20 HCED COC(OC)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715423 DGGXXYIABJADMN-UHFFFAOYSA-N 423.558 0.459 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1834756284 SGLKBXRDCLSLBV-PXNSSMCTSA-N 401.419 0.196 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)F)CCO2 1834914588 ASIUQBDZCZYOAR-PAPVNEROSA-N 405.398 0.237 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ccc4O)C3)C2)CC1 1835345923 KOXCTSTZROHJGR-FQEVSTJZSA-N 401.419 0.472 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4[nH]ccc34)CCO2)C1 1836447706 BOSMAVVXMIRPRF-ORAYPTAESA-N 404.492 0.951 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5ncnn5c4)CCO3)C2)CCC1 1837172573 GQXFUJCXHGPANY-NRFANRHFSA-N 424.461 0.493 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCc1[nH]cnc1C)CCO2 1837332692 BHMFHAHDUKMHHB-IBGZPJMESA-N 408.524 0.984 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837395233 UQEPAOPPZVCSSG-LAUBAEHRSA-N 403.479 0.725 30 20 HCED CCc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n(C)n1 1838475513 RXKMXMWXKAUWAA-UHFFFAOYSA-N 416.478 0.683 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)CCO2 1838589718 UOTJVFOISVEOQT-LHSJRXKWSA-N 413.430 0.109 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2)C(F)(F)F 1838654888 MEHZVWCJZPZPIG-KRWDZBQOSA-N 415.368 0.976 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735203 YYTULGVTEFPEIF-GZRFBZBPSA-N 403.483 0.330 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2)C(F)(F)F 1839644111 QQQUKBHABFBMIT-YOEHRIQHSA-N 407.433 0.902 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)[S@](=O)c1ccccc1 1839672133 YWJULMKHTLASCQ-NEGSUBRYSA-N 419.503 0.553 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1839889137 DQNVTJGPHLLFAQ-KSSFIOAISA-N 415.437 0.345 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840160205 AUSKPAWTQGMGLP-KLHJMIIUSA-N 419.547 0.476 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)n1cncn1 1840419408 DNVNMHOISNJMEJ-IERDGZPVSA-N 424.461 0.481 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1840844373 SGZNISLXNOKHPV-NRFANRHFSA-N 414.437 0.957 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccn(C(F)F)c1=O)C2 1841054937 UELDFAJTELDHCW-SREVYHEPSA-N 420.416 0.919 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2)n1cnnn1 1846647562 GLFHXKVKWYBVAD-GFCCVEGCSA-N 405.422 0.499 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(c2ccccc2)=NN1 1847262604 WYGLOKCDCDPHPW-RAIDMPHRSA-N 421.501 0.813 30 20 HCED CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847788544 OBZQQHCKAMKOSW-PXWKOEGRSA-N 401.485 0.152 30 20 HCED CC(C)NC(=O)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 7241965 LZHAHPHPNLDSSV-UHFFFAOYSA-N 406.508 0.942 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 14144194 IEKQQCOBGZNZDZ-UHFFFAOYSA-N 400.464 0.172 30 20 HCED C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccco1 26283918 LRXSJVCIUZUZLR-UHFFFAOYSA-N 402.436 0.679 30 20 HCED Cc1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cnc2c1c(=O)n(C)c(=O)n2C 439556271 KISIMHVBSTWVOE-LBPRGKRZSA-N 407.434 0.749 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 439561195 HJFFDZFOQAIXRR-GFCCVEGCSA-N 412.443 0.594 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CO)Cc1ccccc1 439650710 NPGRUQFSHDOBLO-QGZVFWFLSA-N 404.430 1.106 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)C1=O 440269435 OXRYJZKNWVXSAR-MRXNPFEDSA-N 402.451 0.304 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3occc3C)c2=O)cn1 440377814 JNODSIWOYNUWAR-UHFFFAOYSA-N 409.471 0.799 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 442298604 FIXJUYRLKLQHJJ-UHFFFAOYSA-N 413.522 0.779 30 20 HCED COCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 461638090 WXKNDIZZQMYPSY-QGZVFWFLSA-N 423.491 0.653 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CCN(c4ccccc4)CC3)CC2)c1C#N 462324898 LQVVQMVHHLPHFQ-UHFFFAOYSA-N 421.505 0.598 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 463194258 QMVBTOGGCPKZLC-YJBOKZPZSA-N 416.507 0.496 30 20 HCED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC2(CCOCC2)O1 468478853 KYTVHBCBZRPKNP-OAHLLOKOSA-N 407.492 0.975 30 20 HCED CNC(=O)N[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 468728345 XZDVRDTXSSOVPA-INIZCTEOSA-N 419.507 0.489 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)ccc21 471059810 SJQDRTSBRPFXGH-HNNXBMFYSA-N 412.450 0.477 30 20 HCED COc1c(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)nn1C 480075564 WUJCEUFDBRSFGK-KRWDZBQOSA-N 410.478 0.590 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C 489183134 GVXCVVGIJITJHX-UHFFFAOYSA-N 423.441 0.704 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 491056052 YFYJLAXZZHFHLZ-UHFFFAOYSA-N 402.451 0.167 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)s1 494490139 XATJEXDLQUYIKG-UHFFFAOYSA-N 403.511 0.934 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccnc(OCC(F)(F)F)c2)C1=O 499057461 BGUXAEKBSKIGQG-UHFFFAOYSA-N 400.313 0.616 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 501546798 AJIAEOJBNLTVLK-HNNXBMFYSA-N 422.507 0.525 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C1=O 510344170 VPEXMURYSXSFOI-JQWIXIFHSA-N 400.482 0.708 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513416565 VMTYELSRKTYUQC-UHFFFAOYSA-N 414.465 0.701 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 514134494 NBSZRKDVOUEGTQ-UHFFFAOYSA-N 415.537 0.552 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(N)=O)C3)n2C[C@H]2CCOC2)cc1 549634411 FCTCPGSPBZYBDE-WBVHZDCISA-N 412.450 0.456 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 550466270 RHHNETQFRHHYLS-GDBMZVCRSA-N 401.529 0.404 30 20 HCED Cc1nccn1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 550630207 XGLNASKMELXEAQ-GOSISDBHSA-N 408.462 0.881 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cn2)C[C@@H](C)O1 551847779 ZUWIXGDFXFTSAR-OKILXGFUSA-N 404.471 0.466 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O 557913331 MYCOHKFBQXZESM-ZBFHGGJFSA-N 418.881 0.807 30 20 HCED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561785639 UKHYSFSCKMVJGO-GJZGRUSLSA-N 416.457 0.312 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 566698903 QXHGGUSKMBWSER-LJQANCHMSA-N 411.506 0.720 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 573963767 DAYJCYLYRCEWOG-HXUWFJFHSA-N 424.465 0.926 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 577423921 AYPRMCVJELUBQM-GFCCVEGCSA-N 401.460 0.894 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cnn2C)c1=O 581062287 AIIPXKNLADFNJN-UHFFFAOYSA-N 403.508 0.016 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 588765584 VHSDVZCCVCLSJA-KRWDZBQOSA-N 405.462 0.392 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1 590608935 QBFAQPGSVKPIPH-UHFFFAOYSA-N 406.398 0.989 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 603793148 QMUILNOLBFBJKQ-UHFFFAOYSA-N 414.443 0.270 30 20 HCED Cc1nc(SCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(C#N)c(C)c1C 608964240 IVNBWDMTOBGMOG-UHFFFAOYSA-N 414.495 0.328 30 20 HCED Cc1nc(=NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n(-c2ccc(C#N)cc2)[nH]1 610389207 LZRCDWSGXPGGPX-AHCXZYCDSA-N 420.429 0.360 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnnn1-c1ccccc1 610804350 ZWNMXVKLJNKURC-CYBMUJFWSA-N 411.447 0.517 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)s1 611341222 ZEKISOJUQAKIGI-UHFFFAOYSA-N 420.582 0.496 30 20 HCED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 726405706 QEMUNDKTQCZGJT-GJZGRUSLSA-N 405.501 0.923 30 20 HCED CNC(=O)C[C@H]1S/C(=N\CCCN(C)c2ccccc2)N(CC(=O)NC)C1=O 726406643 LHPZAVRBRBUWHC-GTOLFZDISA-N 405.524 0.695 30 20 HCED N#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 730503319 CFOZTTJBAIEALP-UHFFFAOYSA-N 410.471 0.564 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)cn1 732561043 DXONLPFUGZLUTN-UHFFFAOYSA-N 403.508 0.048 30 20 HCED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1-c1ccc(F)cc1 732910155 KBEPPKPTXWGSDW-OAHLLOKOSA-N 404.423 0.899 30 20 HCED CCOC(=O)c1csc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 733879267 TXGFQCZRFIVSOF-UHFFFAOYSA-N 408.461 0.675 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 743890028 SBZHUFWGXFDIGA-OAHLLOKOSA-N 418.469 0.835 30 20 HCED N#Cc1ccc(-c2nnc(COC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)o2)cc1 745480628 ZOEOEUIEMBZCPF-OMNBBPDLSA-N 408.370 0.814 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCSC[C@H]2S(C)(=O)=O)c1 747885750 MVRDJPXKEBTYQN-CQSZACIVSA-N 404.535 0.711 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)c1 750414045 HNTUOFMSUJMCME-UHFFFAOYSA-N 412.427 0.870 30 20 HCED COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753361312 ZSUHMOORZBBQIG-UHFFFAOYSA-N 417.487 0.789 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 757597207 XOEQVSWKTBQUOQ-MJBXVCDLSA-N 400.501 0.676 30 20 HCED N#Cc1ccc(O)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 759720600 OEHMXOJTOPBFTR-GFCCVEGCSA-N 400.416 0.903 30 20 HCED CCN(CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N)S(C)(=O)=O 761051729 LIGVXKHGFLRBPV-UHFFFAOYSA-N 400.432 0.454 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1N1CCOCC1 763714754 MFCFQCACJXBCMB-SJORKVTESA-N 420.535 0.875 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C#N)cc2)c1 764754659 YRXDAILJQKZLRF-UHFFFAOYSA-N 403.416 0.810 30 20 HCED C[C@@H](CC(=O)N1CCOC2(CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 768381954 GLCYRCWHDKKIQD-AWEZNQCLSA-N 407.492 0.912 30 20 HCED CC(C)OCCCNC(=O)Cc1noc(C/N=C2/NS(=O)(=O)c3ccccc32)n1 771154699 SANCJVRFCNYRGQ-UHFFFAOYSA-N 421.479 0.782 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCSc3c(Cl)cccc32)c(=O)n(C)c1=O 771897272 KTGMPFNYRUWSIL-UHFFFAOYSA-N 414.896 0.916 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)cn1 772305053 WUMAJOYKBALCOH-UHFFFAOYSA-N 424.530 0.255 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)[C@H]1CCCO1 773059352 WUTUSNVGLVNHKV-UONOGXRCSA-N 406.551 0.689 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 773954090 LUSFOJMMSZDFBT-AWEZNQCLSA-N 422.507 0.050 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C1CC1 774536579 GDTDMRXRAZULMJ-UHFFFAOYSA-N 408.483 0.403 30 20 HCED C#CCOCCNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776905156 BETMHXAABAETNW-INIZCTEOSA-N 408.499 0.890 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)C(=O)OC4)CC2)c1C#N 788076550 FALIVQONOYHHRW-UHFFFAOYSA-N 401.448 0.782 30 20 HCED CCOC(=O)c1nn(C)cc1/C=C/C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 792865742 IEJZPHNYIQHONN-RMKNXTFCSA-N 421.431 0.856 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 798061136 VLMOCOOAIYWECE-MAUKXSAKSA-N 421.519 0.923 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)C1=O 799027294 IFRPYEXBNZZDHE-HOTGVXAUSA-N 402.451 0.402 30 20 HCED CN(C)Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Cl 799254895 JRSMGXOFATUFPN-MSUUIHNZSA-N 419.869 0.983 30 20 HCED CCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(C)C1=O 801507303 JAYFITSOBVNQNQ-CQSZACIVSA-N 420.491 0.501 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC1 801694531 NBRUHTBBCBHIRX-UHFFFAOYSA-N 421.338 0.792 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 803595239 CDFCYTKKKZBCPK-HNNXBMFYSA-N 419.425 0.591 30 20 HCED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 806910381 VMRFLAUDRGEGGM-UHFFFAOYSA-N 421.504 0.054 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C1=O 807481409 KSBYLDQHVRXOPT-HUUCEWRRSA-N 408.499 0.651 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(Nc2cc(OCC)ncn2)CC1)[C@@H]1CCCO1 809306504 RKLPGKFKSBCGPQ-HOTGVXAUSA-N 401.467 0.575 30 20 HCED Cn1cnnc1COCC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 815978317 PXTXSNUDBMMQKP-UHFFFAOYSA-N 414.241 0.471 30 20 HCED O=C(NCCS(=O)(=O)CCNC(=O)[C@@H](F)C(F)(F)F)[C@H](F)C(F)(F)F 816523530 UKFVJLIJIZHALB-OLQVQODUSA-N 408.267 0.434 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1 821541491 FNSWETAYXBSQLJ-UHFFFAOYSA-N 414.509 0.878 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(-c2cn(CCO)c(=O)nc2O)no1 904860033 GYLHNLATYWTMQZ-UHFFFAOYSA-N 422.405 0.308 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccccc1)c1nn[nH]n1 918757684 CATPDWIPLIKNQJ-INIZCTEOSA-N 411.447 0.534 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 920606066 PJNGZEGTXYNWMC-WYRIXSBYSA-N 403.439 0.175 30 20 HCED COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)cc1C#N 1077432891 BFVVWDHFMJNXRA-WRMBXCAGSA-N 401.463 0.280 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CCC#N)CC2)cc1OC 1152068926 SBJIUJKJVCUPPM-UHFFFAOYSA-N 410.496 0.430 30 20 HCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1298879236 NROYHSJBJGMOFN-VGOFRKELSA-N 423.521 0.975 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1301969325 WAPYQRFNEXKLGJ-OAGGEKHMSA-N 410.544 0.497 30 20 HCED Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)n[nH]1 1304683600 JNUFOZYTWBVYLA-AWEZNQCLSA-N 418.527 0.980 30 20 HCED O=C(Cn1cc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cn1)NC1CCCC1 1319323909 BCIMFHLERIVZPN-UHFFFAOYSA-N 401.448 0.821 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 1320878692 BUKKRSYBHDIJTI-UHFFFAOYSA-N 406.464 0.840 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](c2nccn2C)C1 1451306394 NZFMRSCPXBMYRW-JLJPHGGASA-N 417.491 0.995 30 20 HCED Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC3)c1 1470361089 OKSPRMKQRQYARM-HNNXBMFYSA-N 419.445 0.766 30 20 HCED Cc1ncsc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1510452643 NBRBVSGCFIADGR-UONOGXRCSA-N 422.536 0.917 30 20 HCED CNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1517594059 LWUYVVGZGMZATC-ZDUSSCGKSA-N 408.466 0.924 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1555993525 PTLNJKMOUJUGDX-GJZGRUSLSA-N 413.413 0.736 30 20 HCED N#Cc1cn(CC(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)c(=O)nc1O 1595391170 PVSDJJFKVHGUKH-GFCCVEGCSA-N 412.324 0.395 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CNC(=O)N1CCc2ccccc2C1 1648641088 LQAQMINGZHXFKA-UHFFFAOYSA-N 409.450 0.824 30 20 HCED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)CCOC1 1696031772 WDGIXNDKNAMZMG-CJNGLKHVSA-N 400.505 0.075 30 20 HCED CN(C)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cn1 1696608634 ZPWXSSKPWPYOHK-MRXNPFEDSA-N 410.482 0.752 30 20 HCED N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)CC2CC2)CC1 1731186064 KYWDEQMNAGNJRK-UHFFFAOYSA-N 420.539 0.965 30 20 HCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778014887 GGXJQFLJMREION-AUUYWEPGSA-N 422.507 0.935 30 20 HCED C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1C[C@@H]2C[C@H]2C1 1778857206 HPEHWJCSFZLEEX-MSQSPTIYSA-N 417.554 0.438 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1778882509 AULOBRLOOMYPFB-YCRPNKLZSA-N 413.478 0.787 30 20 HCED COCc1oncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017898 WYOBUSPFZKYBDS-JLDPKJTDSA-N 419.482 0.736 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1779101458 PRGQHIPIMWCKCY-JPDVTSGLSA-N 403.439 0.449 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1779103224 PTIDDBLSEMWCFS-ZCTOSJTPSA-N 407.427 0.088 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)c1ccccc1 1779186048 XDBCCYUOLSCJID-FDDCHVKYSA-N 422.485 0.889 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO3)cc1 1780701002 XWMVKIHTZSTNCK-PXNSSMCTSA-N 417.487 0.579 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1781269885 SNHLQKHFRFOACR-IBGZPJMESA-N 420.422 0.876 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc(Cl)cn1)C2 1782010685 IOOCHCQFHLFGDW-FZKQIMNGSA-N 406.826 0.346 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(Cl)c(F)c1)CCO2 1783556112 OBGBXANHFGYROY-IBGZPJMESA-N 408.813 0.940 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)CCO2 1784199605 LQQXOKKINYCMEA-NBQZKYEYSA-N 420.535 0.812 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cccc3C=O)C[C@@H]21 1784479476 CLPQJJVYBZBJMB-VYMYIBDJSA-N 415.490 0.880 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)CCC1 1785367602 ZDRZXWOLAAWGRS-NRFANRHFSA-N 408.462 0.796 30 20 HCED Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1785566667 OSLSYLQHIFNJRZ-YWZLYKJASA-N 405.520 0.873 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccn3)[C@H]2C1 1786107167 SGDSCFHXNRXARH-JYJNAYRXSA-N 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CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1836121932 XONZPDLWNHLLRW-HXUWFJFHSA-N 418.450 0.016 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837048594 SALKCLIXQHHMTK-GOSISDBHSA-N 403.464 0.770 30 20 HCED O=C1NCc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)ccc21 1837147472 MSCNBDFFCPNDIM-HSZRJFAPSA-N 423.469 0.413 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N1C[C@@H]2C[C@H]2C1 1837284327 UMQKNTMWKXSJHJ-MXTNKPTQSA-N 402.495 0.087 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1837393564 VKURUQPVMXFUOX-UWJYYQICSA-N 421.494 0.555 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1837525876 QRFQYYULULUBCT-XQOBYBSRSA-N 421.454 0.009 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCCn1cccc1)CCO2 1837623616 LTYHXVVCUGUQRM-NRFANRHFSA-N 417.462 0.203 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3oc(C)nc3C)CCO2)C1 1838004730 DLVIZMJJEWPRGT-KKSFZXQISA-N 421.494 0.935 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1839171408 UXNZCDUOTICRLA-BTYIYWSLSA-N 416.430 0.040 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1839806771 XUWUPRQZVCZULI-QRWLVFNGSA-N 407.467 0.085 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-c4ccc(O)nn4)cc3)C2)C1 1839809481 RMDDZLYGHCFXQV-JOCHJYFZSA-N 422.441 0.552 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839845595 UVFCCGABGCYZLW-KKSFZXQISA-N 403.479 0.876 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1839886526 FFAOJJAWDKMONE-MAUKXSAKSA-N 417.453 0.569 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1840024634 GEHSHUKNWBEURM-PXNSSMCTSA-N 410.587 0.875 30 20 HCED CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840156234 LOYMWEKXVICPCD-IFXJQAMLSA-N 409.508 0.869 30 20 HCED Cc1nnc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)s1 1840157984 FIFWELKHZCLZJX-PXAZEXFGSA-N 414.553 0.554 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1840167438 PPUQYKRFBGGIFZ-IBGZPJMESA-N 406.508 0.907 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1840168057 DYZWSIDYBVULMJ-OAQYLSRUSA-N 411.462 0.603 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269850 DKVMJXVDBANMRF-OZQHCQBDSA-N 424.538 0.567 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840420493 LTTQRECBYUNTDN-GPMSIDNRSA-N 422.486 0.096 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840608981 IEQPNTCSULOVJP-GXAQHZSOSA-N 409.483 0.136 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccc[nH]2)C1 1842015287 HIQGCPOHFOLPLI-INIZCTEOSA-N 402.495 0.911 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)cc1 1842564169 WUAWODPDOMXLMD-UHFFFAOYSA-N 404.430 0.629 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197454 OYWUVYFAVMDNFD-AWEZNQCLSA-N 403.435 0.194 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1C(=O)OCCO 1847805920 KQRHJINOSYRTSP-SNRMKQJTSA-N 414.458 0.689 30 20 HCED C[C@@](C#N)(NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O)C1CC1 5263968 JBRDDAHEPLEQKX-IBGZPJMESA-N 420.491 0.757 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)N(CC)CC)cc2)C1=O 52888188 HLIFDLVZOOGOHR-UHFFFAOYSA-N 400.435 0.762 30 20 HCED CC(C)N1C(=O)C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 434390213 KPQVFCNVPYUXQY-CABCVRRESA-N 411.418 0.415 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C)C(=O)OC 435933073 DIPIFCPXECRDBJ-GFCCVEGCSA-N 401.397 0.025 30 20 HCED N#CCC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 439439863 NARFZWDAFYSYST-QGZVFWFLSA-N 424.461 0.842 30 20 HCED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(N)=O 439808053 RULJJRDRCFOZQK-CQSZACIVSA-N 402.842 1.352 30 20 HCED CN(C)c1ncc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n1C 440317117 UVVKOOVTGBWJLD-UHFFFAOYSA-N 410.413 0.937 30 20 HCED C[C@](O)(CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)CN1CCOCC1 442034328 ZDQKHVNFWGYUSR-FQEVSTJZSA-N 404.467 0.507 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 442233893 DMEMYCLPLHGBBL-UHFFFAOYSA-N 406.395 0.478 30 20 HCED C[C@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 442495547 MZNHJKKRFUWSCG-XJKSGUPXSA-N 405.480 0.099 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c(=O)n2C 443881860 HZJVJKVORFCTOA-UHFFFAOYSA-N 406.324 0.963 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 461477432 FEMAYUUOTDKNQR-AWEZNQCLSA-N 411.553 0.718 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 463180023 IWRPLMMZWMBGHU-RGCFKVTRSA-N 409.446 0.154 30 20 HCED CCOC(=O)C1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464860133 YSZMDZAOFCWCCN-HNNXBMFYSA-N 400.483 0.660 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 465490633 JRQCPRMKHKDLHS-LBPRGKRZSA-N 420.520 0.945 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)C1=O 467663228 DYDSWMXHVGLXKB-KRWDZBQOSA-N 412.446 0.740 30 20 HCED COC(=O)c1cc(OC)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)s1 484786191 MZCJLZRBSCYDPQ-UHFFFAOYSA-N 417.509 0.780 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1 487195593 HXZFPXINCVMNPE-UHFFFAOYSA-N 419.507 0.932 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)C[C@]12C(=O)Nc1ccccc12 488100292 LPFGBQPQUVAKCN-AOMKIAJQSA-N 417.473 0.471 30 20 HCED COCC1(C#N)CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 496171439 RIAILWKHQGUOEQ-OAHLLOKOSA-N 402.517 0.437 30 20 HCED CC(=O)N1CCN(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 498269496 WRRLMEJBJZHCNW-UHFFFAOYSA-N 406.508 0.658 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4ccncc4)CC3)CC2)o1 503199662 RHGHIXJRGUWRIB-UHFFFAOYSA-N 409.494 0.716 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)C[C@@H](C)O1 505361974 JKLPHBCNZPVQJO-GASCZTMLSA-N 424.498 0.738 30 20 HCED CCN(CC)CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512403366 KNNXRPRHGWBXHP-LJQANCHMSA-N 406.575 0.165 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 516409670 WIXIOZCITIWFRZ-UHFFFAOYSA-N 406.446 0.942 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC(=O)N(C)C3)nnc12 518204536 GOJMASZJLXRTCJ-GFCCVEGCSA-N 412.475 0.669 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)cc1 518513246 YDDSYWIYWNZVDY-KRWDZBQOSA-N 422.507 0.143 30 20 HCED Cc1ccncc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 524560737 WFULCUIHSFBCGO-UHFFFAOYSA-N 413.459 0.733 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 525495872 RITJCWMNWZNNFN-UHFFFAOYSA-N 401.466 0.158 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1cccc(S(N)(=O)=O)c1 536972716 MCVPNIPHXYCISY-LLVKDONJSA-N 418.479 0.973 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C(C)C)N1CCOCC1 541379681 BSONOHZTKHSSIW-GOSISDBHSA-N 418.494 0.995 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](CC(=O)OC)C1 544163398 VVKMJKUXZQPKAL-AWEZNQCLSA-N 405.407 0.312 30 20 HCED C=CCN(CC(=O)O)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 547909504 MHSDKGMNBIBWKV-UHFFFAOYSA-N 418.269 0.901 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)C2)nc1 552900718 JWTSYANEVLLGIA-CYBMUJFWSA-N 421.417 1.329 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)CC1 553698181 LGULBNWLNFRYOO-UHFFFAOYSA-N 420.433 0.998 30 20 HCED CCOC[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)C 554694306 GMMQRRNUJAHHCC-ROUUACIJSA-N 400.479 0.953 30 20 HCED C[C@@H](N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 555055168 LYJQQSNECIRLIW-GFCCVEGCSA-N 404.414 0.932 30 20 HCED Cc1nc2ccccc2n1CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 555747467 BVNMNSMWDRRHFF-UHFFFAOYSA-N 408.466 0.729 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 556326813 MYFYHPPPVZLFOR-CQSZACIVSA-N 415.431 0.370 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)C1=O 559592275 KYVWWMQPBGNLEJ-ROUUACIJSA-N 408.543 0.485 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)n(CCC#N)n1 577288444 MTDQQUWGBZQGOU-HNNXBMFYSA-N 401.471 0.840 30 20 HCED CN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 588865315 XEXHLVFQKPYWLD-IEBWSBKVSA-N 411.506 0.970 30 20 HCED Cc1cc(NC(=O)C(=O)NC2CCN(CC#N)CC2)nn1-c1ccc(F)cc1F 589028987 PGXFOJGYSCCQPG-UHFFFAOYSA-N 402.405 1.502 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(OCC(N)=O)c2)c1 589434362 UAJIUZLJFOCWCC-UHFFFAOYSA-N 402.432 0.017 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC1 590284975 UPVCQANPBJTKFG-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 603561070 UUZLPJLPBVDLMF-UHFFFAOYSA-N 410.434 0.779 30 20 HCED CN1CCN(CC2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1 609523465 XGUXZCLZIOUDAW-UHFFFAOYSA-N 418.563 0.959 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 610135108 RLNFFKPJTDEMCM-HNNXBMFYSA-N 401.510 0.634 30 20 HCED COCCN(CCC#N)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 610713919 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0.840 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 753887356 QJIBAZAOWCRZFQ-OAHLLOKOSA-N 406.508 0.479 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)c(F)c2)c1=O 758050886 UAKLNSCJWZZQFA-AWEZNQCLSA-N 413.474 0.645 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2occc2Br)c1=O 758077960 VWUSSFCFDFKXDG-UHFFFAOYSA-N 420.288 0.928 30 20 HCED CNC(=O)CCOC1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761164873 AJJLPWNZQUOHPB-UHFFFAOYSA-N 406.414 0.810 30 20 HCED CC#CCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 762512554 RDFDENDCMIWOGA-LVHCJKAXSA-N 408.505 0.293 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)COc1cccc(F)c1 765888834 BEJWYQOMJREUHR-BBRMVZONSA-N 421.450 0.920 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 766804107 WTTCXPUPDQKVAS-UHFFFAOYSA-N 403.391 0.279 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 773272292 YNNVLVCXNYPHQS-AWEZNQCLSA-N 412.398 0.922 30 20 HCED 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C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 437509050 SMOSOEURCVGOED-SCLBCKFNSA-N 401.467 1.088 30 20 HCED N#Cc1cccnc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 443137509 UUQCKPTUNWPSSO-UHFFFAOYSA-N 408.461 0.775 30 20 HCED Cc1cc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)ccc1C#N 443907312 YXGWYYPZBGPKTM-HNNXBMFYSA-N 401.510 0.634 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](c1ccco1)N(C)C 460584799 NNEJTSGTDYOACL-HNNXBMFYSA-N 407.434 1.398 30 20 HCED CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460734292 JWSNSBBIHWJCAG-MRXNPFEDSA-N 423.477 1.245 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1cccc(C#N)c1 461922643 VCLQJUJHJZWFSF-ZDUSSCGKSA-N 416.459 0.887 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 463508987 JJCGIHCJKHIZLQ-UHFFFAOYSA-N 405.436 0.423 30 20 HCED N#CCN1CCC(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 464790038 AMMCMLDZRAXPNZ-LJQANCHMSA-N 424.505 0.888 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)c1 471259398 VKKBKXSILXJECR-UHFFFAOYSA-N 424.822 0.446 30 20 HCED CC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 472528729 QMCMTLRWZNZCJM-MRXNPFEDSA-N 405.480 0.195 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 477831128 NNRLDXPLFOJARX-CYBMUJFWSA-N 410.496 0.742 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 480976315 YZSIOKYAFUISJY-LBPRGKRZSA-N 400.482 0.481 30 20 HCED CCOC(=O)c1c(NC(=O)N(C)CCN2CCOCC2)c(C#N)cn1CCOC 481366480 CKKCQQPWPPJBCC-UHFFFAOYSA-N 407.471 0.979 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 485684615 RCRKADVFPPYMBC-JKSUJKDBSA-N 420.491 0.277 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCNc2cccc(Br)c2)C1=O 491503231 AJCLDOGZRYUGMQ-UHFFFAOYSA-N 409.240 0.954 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1=O 500365827 ONYSVCNAODHSSM-OAHLLOKOSA-N 400.435 0.706 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 508251144 MTPCXPNKMYAORT-AWEZNQCLSA-N 408.480 0.826 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 509410506 MJGSSYXMXZUXNU-CYBMUJFWSA-N 410.525 0.352 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 517776349 CLKFAPBAHDNBLY-MRXNPFEDSA-N 401.529 0.548 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC(C)(C)O1 519943568 WVNRLPVVIOGDOD-MRXNPFEDSA-N 420.535 0.890 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)N[C@H](C)CC)cc1 520576373 YRGPEQSIJDWKTD-CQSZACIVSA-N 424.523 0.853 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 539251157 ULKFNLHMJQYGHJ-UXHICEINSA-N 418.586 0.307 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)n1 540304540 NXZVSJNHIPPBSZ-UHFFFAOYSA-N 424.508 0.604 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CCN1Cc1ccccc1 552339399 MVEYSOYXAROVHY-RTBURBONSA-N 400.479 0.535 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)s1 555539275 ZLLMXJINVSHPQR-UHFFFAOYSA-N 420.520 0.955 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCc3nnc4n3CCC4)CC2)cc1 559495798 OINAYXDQWFWCNO-UHFFFAOYSA-N 407.478 0.447 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)C1=O 561759976 LNYOOWCLKJTJHB-MSOLQXFVSA-N 412.490 0.457 30 20 HCED COCCN(CCOC)C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 568911023 HUFDIAWTQOWXMP-UHFFFAOYSA-N 402.495 0.874 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 570013735 WVYKDUKKZAYEHK-OAHLLOKOSA-N 422.507 0.493 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C[C@@H]3CCOC3)C3CC3)C2=O)cc1 571436973 DFYMQGLBIBBIPG-HKUYNNGSSA-N 410.474 0.803 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 576541264 KILPHOAJWVTCFG-KBPBESRZSA-N 408.480 0.730 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 577237211 OMCCOCBNFVFURQ-LBPRGKRZSA-N 424.885 0.397 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C(F)(F)F)c2)CC1 577301628 GQNOTTOYBHUMOP-UHFFFAOYSA-N 412.412 0.768 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccsc2)c1=O 603794492 FWETURWXPXRZFX-UHFFFAOYSA-N 421.544 0.664 30 20 HCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 608911999 YYDWJAHAIAVJAL-UHFFFAOYSA-N 414.462 0.096 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 613307817 JLYYIVOZBDJHNH-CQSZACIVSA-N 407.430 0.999 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(Cn2cccn2)c1 615049633 FKDLYBUAGCPEKJ-UHFFFAOYSA-N 410.478 0.944 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 615256958 GJXUDQNMZWXRNQ-UHFFFAOYSA-N 424.479 0.463 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCOCC3)CC2)cc1 616170060 OJLDZZKJCRWAOM-UHFFFAOYSA-N 421.523 0.296 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 619705994 TZQCZWBTZOHWCT-UHFFFAOYSA-N 404.414 0.972 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 728967560 OWKXLLYYLYAPSC-ZLDLUXBVSA-N 416.883 0.698 30 20 HCED CCNS(=O)(=O)CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 731685652 ZEMZJZPSUPXGEE-UHFFFAOYSA-N 422.467 0.577 30 20 HCED N#C[C@@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 732909342 AANJAKKCIVMBLV-AWEZNQCLSA-N 420.447 0.774 30 20 HCED C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734574091 NUZSRVTUUJLAMZ-PXAZEXFGSA-N 417.443 0.601 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 737219287 WSRAVPHINMFBQW-IAGOWNOFSA-N 401.467 0.912 30 20 HCED C[C@@H]([C@@H](C)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 742674236 LFTVZWQWKMYNES-UPJWGTAASA-N 415.537 0.784 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 747582527 WCFNBELSIJFROX-UHFFFAOYSA-N 424.527 0.447 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C)ccc2C)c1=O 758067679 HHTXBMNZTJRNSK-MRXNPFEDSA-N 409.511 0.814 30 20 HCED CCCCOc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 771889991 CYOZOPSWMGOFLP-UHFFFAOYSA-N 424.479 0.584 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 777285649 DEDKHFDHJMMTCV-UHFFFAOYSA-N 417.466 0.732 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 777425725 LXVQFORMXYSXLU-DZGCQCFKSA-N 409.464 0.263 30 20 HCED Cn1nnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 783005467 CMOPANBPWXLNKY-NXHAUGRDSA-N 414.495 0.317 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1-n1c(C)cnc1O)[C@H]1CCS(=O)(=O)C1 783481170 OFYFXVLZGWHTLF-AWEZNQCLSA-N 416.459 0.474 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 783482066 UDCMGLNEVXXRPP-MRXNPFEDSA-N 403.460 0.933 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCn2cnc(C#N)n2)C1=O 795182587 JWIPHRAUIQQGPY-LBPRGKRZSA-N 414.451 0.321 30 20 HCED C#Cc1cncc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c1 798243577 FRRDLWPZXLWJSY-INIZCTEOSA-N 419.484 0.781 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccncc1 805812574 ZFIZGIFHVLBFOU-QGZVFWFLSA-N 420.477 0.841 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O 808771308 WRDBRHWEBFWQBG-XHSDSOJGSA-N 422.526 0.993 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 810785993 WJTIEKZFPKCWSE-UHFFFAOYSA-N 409.489 0.805 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](O)C2(C)C)c1 813026056 JLSNPPQOPQMGRH-SSPLZPMDSA-N 422.507 0.810 30 20 HCED C#CC[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 816669045 FQTZWRUHHPADPK-KDOFPFPSSA-N 410.492 0.651 30 20 HCED Cn1cc(C=Nn2c(S)nnc2[C@@H]2COc3ccccc3O2)c(=O)n(C)c1=O 839395049 AEJSXNAIEMBZKM-ZDUSSCGKSA-N 400.420 0.359 30 20 HCED N#Cc1cccnc1NCCNC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 916233893 POZZTTBEHBMZKC-GOSISDBHSA-N 407.478 0.919 30 20 HCED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916926080 RITSEGIIGOTBAL-GFCCVEGCSA-N 424.417 0.180 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2cccnc2)c1 918329424 BVOPXCZTJAKASQ-UHFFFAOYSA-N 400.460 0.828 30 20 HCED C=CCCO[C@H](C)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 921219261 RBNOSMOPCYSUFU-CQSZACIVSA-N 402.455 0.536 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 931905473 HLRYCEPDGJNLLC-UHFFFAOYSA-N 404.492 0.572 30 20 HCED Cn1c(C(=O)O)cc(Br)c1C=NNc1ccc(S(N)(=O)=O)cn1 1318599583 INLGQVGPLXBCEL-UHFFFAOYSA-N 402.230 0.974 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)C1=O 1321169391 HWCDWJNTYKHLQH-GJZGRUSLSA-N 409.512 0.208 30 20 HCED Cc1nc([C@@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 1323796964 KKROFPFASSECJI-CYBMUJFWSA-N 418.479 0.433 30 20 HCED C=CCn1c(Cc2noc(CS(=O)(=O)CC(C)C)n2)nnc1N1CCOCC1 1337901073 JESQXJCJOOCWQI-UHFFFAOYSA-N 410.500 0.845 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1503801992 PHKAOMTYGGFTHF-UHFFFAOYSA-N 419.511 0.280 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN2CCCO)CCO1 1555995012 MHQHMXHVQLFPLA-RBUKOAKNSA-N 411.510 0.839 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCC3(N4CCOCC4)CCOCC3)cc2)c1N 1570188066 LNNOJSMZIBWGKR-UHFFFAOYSA-N 410.478 0.937 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCNC(=O)c3ccco3)CC2)c1C#N 1612470571 RMEYAEPKODVAMZ-UHFFFAOYSA-N 423.481 0.850 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1622469047 LTLHUMVICCEVPG-UHFFFAOYSA-N 407.496 0.699 30 20 HCED N#Cc1cn(CC(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)c(=O)nc1O 1628485853 SLDSZKNNKRIDLP-GFCCVEGCSA-N 420.223 0.658 30 20 HCED CC[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCN(C(=O)OC(C)(C)C)C1 1646148883 XCSMZHTUCKHTOI-LJQANCHMSA-N 405.455 0.974 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3CCC4(C3)OCCO4)C2=O)cc1 1687678499 YVPPSSBUUFJNAT-GOSISDBHSA-N 413.478 0.407 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1698307574 YHKQPAQNZHYOOA-HNNXBMFYSA-N 416.463 0.502 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1723623387 ZUKBWQWGXRNODR-INIZCTEOSA-N 419.530 0.380 30 20 HCED C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1726751855 JABJQIPVNRTWIW-YJBOKZPZSA-N 409.494 0.849 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1729078797 PBQFEFCRWTVZMC-OAHLLOKOSA-N 420.495 0.433 30 20 HCED CN(C)[C@@]1(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1729325992 NLOQFBKGSNXHNX-RDTXWAMCSA-N 400.512 0.901 30 20 HCED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1730278155 YSQYICDNOJMKSL-OAHLLOKOSA-N 412.450 0.541 30 20 HCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N(C)C 1747189003 UAIQMFVSLLTVOW-UHFFFAOYSA-N 412.498 0.886 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829603 MOQNHWZVTUHCME-VLIAUNLRSA-N 414.466 0.141 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777959744 XYHIKDYRVDUXRD-QVKFZJNVSA-N 400.479 0.391 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778777415 KPMPDLLIWHTXNX-CBGDNZLLSA-N 421.494 0.381 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197757 IWUAUZZAAAIHCY-NRFANRHFSA-N 416.478 0.833 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OC)cc3O)C2)C1 1780551473 XLKUBCFOOGXSPL-YCRPNKLZSA-N 402.447 0.883 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC23CCCN2CCC3)C1 1780665160 SZQDAOXRAYUYEV-DYESRHJHSA-N 417.506 0.607 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697261 ASAZCAKTNSFBCQ-YCRPNKLZSA-N 413.478 0.709 30 20 HCED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780807163 IGRPCDGJSNKNLH-QMTMVMCOSA-N 412.487 0.657 30 20 HCED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1N(C)C 1781128923 WEJGLWSRFLIYAG-NRFANRHFSA-N 415.446 0.293 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccn(C)c1=O)CCO2 1781264060 PLJFGRDNQKIHSF-OAQYLSRUSA-N 417.462 0.338 30 20 HCED Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781987934 YOOCNMKVOLDVNY-IBGZPJMESA-N 419.365 0.574 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)C(=O)C5CC5)CCO4)C3)c2c1 1782193638 BEYDDZNKECKUQZ-NRFANRHFSA-N 407.430 0.857 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2cnc[nH]2)C1 1782428579 KIEGMHZGTWNDMU-OTEQBUGHSA-N 400.479 0.975 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C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)nc1)CCO2 1838198379 VYINPCGOGCXDBY-NRFANRHFSA-N 400.479 0.631 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838652183 TZEZXURJKQAWPS-YWZLYKJASA-N 420.466 0.658 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccccn4)C3)C2)c1 1838732417 PQRXULZUKVOMEN-QFIPXVFZSA-N 423.473 0.984 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oncc3C)C2)C1 1839227769 XUENTZKJDGDXDW-KXBFYZLASA-N 408.455 0.854 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840060037 WDPIZOZXAVGTLI-FOIQADDNSA-N 405.451 0.448 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840159938 RQGFMTZKAWEEDT-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1840293699 PWUNVGYXYHEHGL-XFGYDDDFSA-N 417.550 0.977 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc(O)c(O)c3O)CCO2)C1 1840881614 ZRXFKFZFVKZENZ-XYASWCNUSA-N 418.446 0.849 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1841607420 MHRUGEXRUYXHED-KBPBESRZSA-N 416.478 0.787 30 20 HCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1=O 1841917211 QVWFHGHUIPISJZ-KRWDZBQOSA-N 423.469 0.948 30 20 HCED Cn1c(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cccc1=O 1842351411 QLVYFXPHUZPLJG-AGKWGAAGSA-N 402.451 0.731 30 20 HCED CN1N=C(C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)CCC1=O 1844281910 GSSURRDGDYJYHZ-UHFFFAOYSA-N 400.479 0.497 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)CCC#N)C3)C1 1845105626 TYJLBSWXFNYFMC-LSDHHAIUSA-N 406.483 0.721 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412746 XZLQGAVYROKUPQ-BFUOFWGJSA-N 413.540 0.880 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc(O)n2c1CCCC2 1847261713 CUQKQWZYINTHGS-BEWKBBBFSA-N 413.478 0.599 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCCC#N)c2)C[C@@H](C)O1 15182152 VUAVNMAGWPLCIT-OKILXGFUSA-N 409.464 0.671 30 20 HCED Cn1c(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c(C#N)c(=O)n(C)c1=O 52385084 LYRXVFACFAXUJA-UHFFFAOYSA-N 401.854 0.500 30 20 HCED CCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 58911526 ULBSFCQKVOXKDW-UHFFFAOYSA-N 406.508 0.958 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 110435795 LXAWLBJDBAMDOB-SFHVURJKSA-N 420.535 0.705 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O 302768093 WIOPDYJTWXHLPW-UHFFFAOYSA-N 412.362 0.550 30 20 HCED Cc1cccc(N2CCN(CCCCNS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409576802 XQDXSBSSXKOCIN-HXUWFJFHSA-N 421.567 0.956 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cn3cc(Br)ccc3n2)CCO1 409586590 LBKYMKYJIXMMLU-GFCCVEGCSA-N 400.258 0.656 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 430412684 IHJBQZFUSNXMJN-IAODNVIUSA-N 408.451 0.035 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](CO)CC3CCCC3)n2)cc1 440204849 FCVMZVVVHMTRSL-GOSISDBHSA-N 410.478 1.442 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1=O 440253181 GTNIYOZDRRJETE-MRXNPFEDSA-N 400.435 0.767 30 20 HCED Cc1nc(=NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)n(-c2ccc(C#N)cc2)[nH]1 443421452 XLFOVLYLPPWGSK-UHFFFAOYSA-N 418.460 0.318 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc(N(C)C)nc1 460583371 KXWRWTRTWQDKPC-UHFFFAOYSA-N 404.434 1.163 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 463388387 GQQGVBHPGQPUAL-JKSUJKDBSA-N 413.521 0.450 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 465491220 KFDQHQBSQMRWJM-CQSZACIVSA-N 422.511 0.379 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 475563283 IIRGNYSDHDMGCB-LLVKDONJSA-N 405.885 0.183 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 480478706 DOTADAJNAAWFCK-ZDUSSCGKSA-N 422.550 0.267 30 20 HCED N#CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 481220296 UTINRQZVAMYUTR-UHFFFAOYSA-N 421.454 0.315 30 20 HCED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 482587351 FCXWXLRYYTZGFA-UHFFFAOYSA-N 410.544 0.395 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cnnn4)c3)CC2)cc1 512411279 XGFOPCQMDBKEAY-UHFFFAOYSA-N 423.458 0.681 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O 520838540 CUHQBIFOXICCTM-UHFFFAOYSA-N 422.401 0.742 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)N2CCC(C#N)CC2)C1=O 521311186 WEGPRGBERGHVSQ-ZDUSSCGKSA-N 404.448 0.518 30 20 HCED C=CCOc1ccccc1CNC(=O)N[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 522066569 MSZBMMIXULVZTM-CABCVRRESA-N 409.508 0.990 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1C[C@H](C)O 525714852 HDFWLZWCSGBPRI-RDJZCZTQSA-N 408.524 0.482 30 20 HCED CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 526097528 POTPUQIKJLNTNT-UHFFFAOYSA-N 401.402 0.991 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)CC2)o1 527262538 OLOUEELNELSDMF-CABCVRRESA-N 409.512 0.905 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 540793087 NASGBEYKDCBBHJ-HNNXBMFYSA-N 410.452 0.556 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)C#N)CC2)c1 541019483 KYFXVZNRPUATAL-NSHDSACASA-N 400.482 0.710 30 20 HCED C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 542997839 BLOVXWPVVWQIEW-CYBMUJFWSA-N 400.414 0.658 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCN3CCCCC3)C2=O)cc1 550494430 FMUASJHGLMDWNZ-LJQANCHMSA-N 411.506 0.768 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 559768954 LVCNELUQJKHKDQ-UHFFFAOYSA-N 406.490 0.980 30 20 HCED CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561785636 UKHYSFSCKMVJGO-CABCVRRESA-N 416.457 0.312 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)c1 562188055 QKENNBTULRXYDM-INIZCTEOSA-N 402.407 0.507 30 20 HCED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)c(F)c1 567801838 XGIZVFVCMHPDCD-KBUPBQIOSA-N 403.366 0.587 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cn2n1 570208461 BRMKNTPGSNHRGS-UHFFFAOYSA-N 407.438 0.239 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)n1 572687370 ZAMYALGFHIJDJE-ZFWWWQNUSA-N 407.434 0.595 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 579536840 NPYPHEUXNKJBJC-QAPCUYQASA-N 407.492 0.520 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccccc1 584691627 QCKAXZFXGBHQRM-AWEZNQCLSA-N 400.464 0.364 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 585728810 XQRFJJHDTACGMD-KRWDZBQOSA-N 423.521 1.035 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3Cc4ccccc4C3)CC2)c1C#N 585776272 VQYKWVSDIGQUTK-UHFFFAOYSA-N 421.505 0.381 30 20 HCED Cn1nc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C1CC1 589392529 OQRPGQPRUXTSPG-UHFFFAOYSA-N 409.450 1.322 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 589414789 BRCDKXOZLUNFJN-MRXNPFEDSA-N 405.524 0.121 30 20 HCED N#CCc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 589589252 VWUQOCDXJAECSK-UHFFFAOYSA-N 422.488 0.969 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)nc1 608967570 BLGCGCWGLVNZDT-UHFFFAOYSA-N 405.505 0.990 30 20 HCED COC(=O)CN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 609992250 JPYYYUDNHOOPFT-UHFFFAOYSA-N 421.479 0.281 30 20 HCED Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 610563707 KECQGUMYEGUHHT-UHFFFAOYSA-N 414.451 0.706 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610667659 NBGYMVALEFOJCN-ZDUSSCGKSA-N 417.495 0.139 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 673594384 CTGJCMBTJSJSDB-UHFFFAOYSA-N 423.535 0.845 30 20 HCED C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCNS(=O)(=O)NC(C)C 683254784 WCXZZXWFSCJRGE-UHFFFAOYSA-N 407.496 0.999 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 728536078 ILEKXROLWHUHFN-UHFFFAOYSA-N 420.535 0.271 30 20 HCED N#CC1(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 736841436 DKAVJMZVKIIUNE-UHFFFAOYSA-N 407.448 0.883 30 20 HCED Cc1nc(=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n(-c2ccc(C#N)cc2)[nH]1 741946518 VPUVGWRBUVGPOH-UHFFFAOYSA-N 421.442 0.547 30 20 HCED C[C@@H](CC(=O)NC[C@@H](C)CN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742670606 LKDWCUKAFGOCID-CVEARBPZSA-N 421.567 0.503 30 20 HCED COCCN(CCC(=O)OC)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742672267 FALAMOHNXPRHDI-ZDUSSCGKSA-N 411.480 0.542 30 20 HCED CN(C)S(=O)(=O)c1ccc(=O)n(CCCC(=O)ON=C(N)c2cccs2)c1 749132435 OCMYFGIDNRRBAF-UHFFFAOYSA-N 412.493 0.804 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC#N)CC1 750862432 JFFVYOMWYNDKCM-INIZCTEOSA-N 403.508 0.952 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 756328589 WHAMBPWXFLYBQI-UHFFFAOYSA-N 404.370 0.927 30 20 HCED COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2nccnc2C#N)C[C@H]1C 756911584 VZCNDLVXSZZIFG-AYCSXLNKSA-N 416.507 0.839 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 762232521 MLFGORUIPAGQCM-UHFFFAOYSA-N 408.476 0.666 30 20 HCED C=CCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 772716818 IOTJSVYDQLPJGN-GFCCVEGCSA-N 414.461 0.256 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)OC[C@H]3C2)CC1 775978846 VUPSTJUDZFRORB-QZTJIDSGSA-N 401.442 0.671 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CCO)CC2)cc1 778996214 IJXFKHJPVDIAEC-JWGURIENSA-N 422.507 0.717 30 20 HCED CC(C)c1nc([C@H]2COCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 779693035 JIBQNKCSUYJSJT-CYBMUJFWSA-N 419.463 0.832 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)(C)O 784063045 ZHHALVTYMOOJOZ-OBZJLHOISA-N 410.496 0.714 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 784824905 VRFWHJQBGSULOF-SFHVURJKSA-N 400.479 0.160 30 20 HCED C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 788346322 YDPJTUACEBUYLS-HNHQJQRFSA-N 408.480 0.420 30 20 HCED CCOC(=O)CON=C(C(=O)NCC1(N2CCCCC2)CCOCC1)c1cc[nH]n1 789975842 DPAMMACNPQMGTJ-UHFFFAOYSA-N 421.498 0.845 30 20 HCED 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WBXDNYCMMXYJGD-UZLBHIALSA-N 401.467 0.594 30 20 HCED COc1ccc(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1S(=O)(=O)N(C)C 19355042 QZUXLJNPFUUCHQ-UHFFFAOYSA-N 419.463 0.629 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 435235281 LYEVVRVQQXWGKT-IBGZPJMESA-N 420.491 0.170 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4cnn(C)c4)CC3)CC2)o1 436120824 GXDXWKXLNREKAZ-UHFFFAOYSA-N 412.498 0.055 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(O)(C(F)(F)F)CC1 438660075 HAXPENSBTKSHMI-UHFFFAOYSA-N 422.367 1.302 30 20 HCED COC[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H](C)O1 443763534 IFBACZIVOPNLFF-TZMCWYRMSA-N 401.398 1.084 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 443906731 JQSXCBJRVGBROE-INIZCTEOSA-N 408.524 0.714 30 20 HCED Cc1oc(NC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c(C#N)c1C 464737868 SWHKLOIGRXKINL-UHFFFAOYSA-N 407.452 0.842 30 20 HCED N#C[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@@]12C(=O)Nc1ccccc12 468947517 KJRXQRWAITTYLO-JLCFBVMHSA-N 416.441 0.503 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)COc2c(C)cccc2C)CC1 478449591 LSMYZQCGLIRZCI-SFHVURJKSA-N 416.522 0.633 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 478840618 OJFQDGFCIUZDAH-SNVBAGLBSA-N 405.457 0.915 30 20 HCED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC2)c1=O 491591320 JUKFWIZVIQGBBZ-UHFFFAOYSA-N 400.826 0.593 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 496131852 YEDAZKJBQLDLMO-QAPCUYQASA-N 420.535 0.984 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cscn2)c1=O 497572478 AWCKBQNZKUFKSM-UHFFFAOYSA-N 404.517 0.598 30 20 HCED CCOC(=O)Cc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 505077369 XQYHRPGPWZTFMP-JTQLQIEISA-N 423.476 0.821 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOC[C@H]3[C@H]3CCCO3)n2)cc1 507348376 SELRRDHFRWYCOC-DLBZAZTESA-N 410.434 0.543 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 510266411 BOFCPVHJRQVZLQ-UHFFFAOYSA-N 415.494 0.908 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 516011345 AJZDGVSTVBQKRE-UHFFFAOYSA-N 422.445 0.609 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 518443610 JLIIDTHPRVYIDS-OAHLLOKOSA-N 422.497 0.853 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2)c1=O 523090212 LCDHMNGZUHRQIY-UHFFFAOYSA-N 401.488 0.212 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 524282217 WODOLZHREWESFN-UHFFFAOYSA-N 424.935 0.385 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 532927498 YLVMSJSRSZAIPC-ZDUSSCGKSA-N 420.495 0.335 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CCO1 536440620 WJSIYBCEBHNKJS-GOSISDBHSA-N 424.461 0.663 30 20 HCED CCOc1ccc(NC(=O)C(=O)NCCCC#N)cc1S(=O)(=O)N1CCOCC1 542316078 XEGHJNBQIJOZHO-UHFFFAOYSA-N 424.479 0.465 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)n2)c(Cl)c1 542997236 OAVYFDQCZQICCW-CYBMUJFWSA-N 402.798 0.049 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)cn1 547886355 YGYUAFUVOYNWSW-UHFFFAOYSA-N 407.452 0.176 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1C 547963069 ZOKKWNPASSRBRO-OAHLLOKOSA-N 411.483 0.121 30 20 HCED CCOC(=O)c1cn(CCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 551931942 HEQYTXMZPJHZOJ-UHFFFAOYSA-N 419.463 0.368 30 20 HCED C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)S(C)(=O)=O 554153935 CNMUPDGWRRIHJF-TZMCWYRMSA-N 410.471 0.332 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)nc1 557089695 RUJPRKAQJWOWJX-AWEZNQCLSA-N 410.400 0.355 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ncccc2C)C(C)C)CC1 558165403 DOVHYOKOXFDLRO-SFHVURJKSA-N 401.511 0.650 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 560647296 NCNZZTSPGSTJMY-QGZVFWFLSA-N 411.506 0.720 30 20 HCED N#Cc1cc(Br)ccc1CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 561349347 WBXLQULTELIFRZ-UHFFFAOYSA-N 421.295 0.824 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cccc(NS(C)(=O)=O)c1 561566473 BLRKAXXKZYHYSI-UHFFFAOYSA-N 405.484 1.009 30 20 HCED CNC(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 564417366 VWFDXTNITYBUFL-UHFFFAOYSA-N 416.459 0.278 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 566380698 TZEAYCHJJHITJK-GFCCVEGCSA-N 404.370 0.116 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 578050206 RLDZDXDADBEHME-MAZHCROVSA-N 400.483 0.718 30 20 HCED C[C@@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)CN1CCOCC1 586845866 XLFRYJZENZXRTH-INIZCTEOSA-N 414.510 0.123 30 20 HCED CCOc1cc(NC2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)ncn1 588125146 YVBKORQEFNBVSD-UHFFFAOYSA-N 415.498 0.382 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 588278833 QVKZNYDEBOBODO-XOBRGWDASA-N 422.449 1.432 30 20 HCED CSc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1 727164962 UKOKZBSCXVVYLE-UHFFFAOYSA-N 420.541 0.208 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Oc2cccc(NC(=O)c3cnn(C)c3)c2)C1=O 727666625 JNFLLTSLESBPRM-UHFFFAOYSA-N 411.374 0.555 30 20 HCED CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 729687319 BJDACVINDIZTDD-LBPRGKRZSA-N 410.452 0.658 30 20 HCED C#CCN1CCC[C@@H]1COC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 729810133 UUJUZZFPZAYKGG-MRXNPFEDSA-N 405.476 0.062 30 20 HCED C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)CSCC#N)C1=O 731706450 JVORSQQGMBMQJM-SFHVURJKSA-N 404.448 0.761 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 732286686 UWOVVEFIWNTTRC-UHFFFAOYSA-N 411.550 0.482 30 20 HCED C[C@H](CC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742641903 DESRCPSNCYUXKM-OIISXLGYSA-N 420.535 0.561 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 743973990 ILOGGJIJUCLLQB-UHFFFAOYSA-N 402.432 0.269 30 20 HCED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 747463048 AFHDUCYUWXJTSG-UHFFFAOYSA-N 415.475 0.707 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCOC 748645031 LAMCTOXIZFIQMD-UHFFFAOYSA-N 402.501 0.519 30 20 HCED N#C[C@@H](Cc1ccccc1)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O 750064674 YUZLGHZUKDWALM-CYBMUJFWSA-N 401.404 0.625 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 758088194 DCIPXXMXFOYKFC-UHFFFAOYSA-N 424.482 0.442 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 766986084 MGCUQCLLPIUSPM-SKDRFNHKSA-N 405.354 0.829 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 767674849 GGRUHIRAQWPBPL-KPZWWZAWSA-N 404.448 0.577 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(Cl)c(OC)c2)CC1 767771575 OALGIXLNAQTDSS-UHFFFAOYSA-N 400.888 0.189 30 20 HCED NC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 768546001 FNSMXEYKDRSPTB-INIZCTEOSA-N 404.423 0.597 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 775188508 AZSMNFMVGNRHSD-CHOFAJOMSA-N 422.507 0.739 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 776910549 UIEBJXWAOAUHJD-UHFFFAOYSA-N 413.447 0.989 30 20 HCED C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783440608 JVNSHHFBTOGVSN-JLJPHGGASA-N 405.476 0.762 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)OCC(=O)NC1(C#N)CCC1 784250004 DCHADJQWBJWMQY-CQSZACIVSA-N 422.482 0.998 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C1CC1 784918787 XCCCCWDUBMCHJR-UHFFFAOYSA-N 411.506 0.460 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 785102025 OSDZPXJEPQIAIE-UHFFFAOYSA-N 406.439 0.851 30 20 HCED C#C[C@H](C)NC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786429595 ZVYPIRNQYCDXJQ-ZDUSSCGKSA-N 402.455 0.610 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1)[C@@H]1CCCO1 787497865 AXHNYRPCYIHFNT-SFTDATJTSA-N 412.534 0.737 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc[nH]n1 789956318 DKJGUVJQJHUMKQ-UHFFFAOYSA-N 403.395 0.271 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc[nH]n1 794745003 NIDOSPCMCYXOID-GFCCVEGCSA-N 417.397 0.754 30 20 HCED 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CLQJTZNQKXFNQR-KBXCAEBGSA-N 415.437 0.180 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1840044802 YKNPCHWQJPIGDX-IBGZPJMESA-N 417.443 0.387 30 20 HCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157003 BALGGCVYRCBUKJ-KDOFPFPSSA-N 401.529 0.068 30 20 HCED COc1cccnc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158813 RDTHDAIQCMLNCT-MGPUTAFESA-N 423.535 0.798 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1840292867 QHMXNNBBKQCIFZ-OAQYLSRUSA-N 402.495 0.992 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840295340 JOVLTZMLFBUOAW-QFIPXVFZSA-N 415.490 0.858 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1840841010 YMFLLBUUOFWNJN-WIYYLYMNSA-N 407.511 0.407 30 20 HCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)cc1 1841006218 DIHJFFOESUOXHX-HXUWFJFHSA-N 412.490 0.345 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1844237000 UEAWYVFTLJRZPU-AGIUHOORSA-N 408.524 0.565 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1844726230 KIDPPAZOHUWFNB-LJQANCHMSA-N 414.462 0.034 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847056292 JXLUSDGVMUDURD-LBPRGKRZSA-N 411.549 0.623 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)[C@H]3CCC(=O)NC3)c2c1 1847321048 IEDKNCVIDVPXMB-JQFCIGGWSA-N 406.446 0.776 30 20 HCED Cn1ncc2c(N3CCN(C[C@@H](O)COc4ccc(CC#N)cc4)CC3)ncnc21 25307843 APSUDQQTYIXIFB-QGZVFWFLSA-N 407.478 0.991 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCNS(C)(=O)=O 31276796 MYUFFVQOSNHIJZ-UHFFFAOYSA-N 420.285 0.764 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 427069449 KRCZTWFXEGCKOF-LBPRGKRZSA-N 411.447 0.968 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCC#N 427857690 ZWAUOOPLVQZMBZ-UHFFFAOYSA-N 410.452 0.075 30 20 HCED CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 430273059 CFKPDWDGLKXPRE-WIYYLYMNSA-N 401.486 0.993 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435492975 GODRXTIUHVIKPY-UHFFFAOYSA-N 408.480 0.778 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1 439402160 GHJCIZANUSUZTJ-INIZCTEOSA-N 422.507 0.415 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 440030792 UAHUAHXVLJIZTI-MRXNPFEDSA-N 406.458 0.876 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1C(F)(F)F 442005769 SKHJKRWDXAGSAK-CQSZACIVSA-N 411.384 0.972 30 20 HCED CCS(=O)(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 444322711 VGNKVHIRBGKCIC-CYBMUJFWSA-N 413.521 0.651 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 445125067 KXZUMWWIFQIAHV-UHFFFAOYSA-N 402.495 0.998 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]2CCCO2)cc1 448389414 MFHMERJNSXZCBX-HOTGVXAUSA-N 411.480 0.088 30 20 HCED Cc1ccc(C(=O)N2CCN(Cc3ccon3)CC2)cc1S(=O)(=O)NCC#N 461309736 POTIMYCAIWEKAJ-UHFFFAOYSA-N 403.464 0.743 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 465265061 GURXJIUSWUHMHG-AWEZNQCLSA-N 419.445 0.857 30 20 HCED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)[C@H]1CCS(=O)(=O)C1 466824766 IZNGDRHBAWQTHC-LBPRGKRZSA-N 402.494 0.458 30 20 HCED C=CCCN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 467154708 ZXMSHOXDVZUNOX-UHFFFAOYSA-N 411.480 0.689 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472190813 JXKBZRHORDGIFM-UHFFFAOYSA-N 424.527 0.242 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C(N)=O 472207757 QSPHDOMKAHIEPS-UHFFFAOYSA-N 418.479 0.219 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 481568731 FIMCHLXQWDFNOC-JKSUJKDBSA-N 402.513 0.831 30 20 HCED CC(C)(C)C[C@H](CC(=O)N1CCN(CC#N)CC1)C(=O)N1CCN(CC#N)CC1 486373234 ICIZGJMIVDZAPF-SFHVURJKSA-N 402.543 0.764 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 502334581 FGRZMCYOFDSLRD-UHFFFAOYSA-N 414.509 0.286 30 20 HCED N#Cc1ccc(CSCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 502726898 XCOUMXVGWAYNOA-IAGOWNOFSA-N 409.533 0.405 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503993885 LPTJGBKREKBABH-QGZVFWFLSA-N 419.507 0.777 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 508251149 MTPCXPNKMYAORT-CQSZACIVSA-N 408.480 0.826 30 20 HCED C=CCn1c(COCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508496533 ZJTIZVNGTMWDQD-UHFFFAOYSA-N 423.481 0.516 30 20 HCED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1 509976085 ZDMQROSYWAFHRK-GFCCVEGCSA-N 413.887 0.537 30 20 HCED CCOC(=O)[C@H]1CC[C@H](C(=O)OCC)N1C(=O)CNC(=O)c1ccc(C#N)cc1 514038541 VDEFAVFGCCAYOX-HZPDHXFCSA-N 401.419 0.774 30 20 HCED C=C(C)CN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 517305061 ZXBYURCSNZHTFE-UHFFFAOYSA-N 422.551 0.941 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)C1=O 523414413 QAFJCULMFNZUSK-UHFFFAOYSA-N 412.446 0.185 30 20 HCED COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 539369797 JAUBQKVRDPINSD-MOPGFXCFSA-N 418.469 0.798 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 542595947 JYMPVWOLLDSKHA-UHFFFAOYSA-N 419.869 0.153 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1[C@H](C)c1ccccc1 551923984 ADIWESJEQGCDOB-CQSZACIVSA-N 407.499 0.810 30 20 HCED CCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553819541 OGAGSQSGIBMIII-UHFFFAOYSA-N 422.326 0.977 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 554488086 MDAUOMIOAGAFGL-UHFFFAOYSA-N 420.477 0.971 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 555847288 HZNACOQYUQFDKZ-UHFFFAOYSA-N 418.435 0.030 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN([C@@H]2C[C@H]2C)C1 560151522 JOZWDGCJDJBSSV-FRQCXROJSA-N 421.505 1.325 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1-n1cnnn1 563674145 UHYCOTIBRMEZNK-MRXNPFEDSA-N 418.417 0.856 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2=O)cn1 563904371 KEQMPHIIHBXOIE-MRXNPFEDSA-N 421.461 0.121 30 20 HCED C[C@H](O)C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 567427912 IQVGILRWIFOWRD-GOEBONIOSA-N 412.494 0.925 30 20 HCED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 575830426 DNXHDDNJZMQDGQ-NIKGAXFTSA-N 409.490 0.769 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2OC(C)C)CC1 584312365 RXNTZGZLZADZKI-UHFFFAOYSA-N 416.522 0.845 30 20 HCED Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)CCC2 584743084 YADUVBLBAOFHDJ-QGZVFWFLSA-N 407.478 0.801 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CC1 588127811 RASZYKSSJZRARN-UHFFFAOYSA-N 419.432 0.353 30 20 HCED CS(=O)(=O)NC1CC(NS(=O)(=O)c2cccc(Br)c2C#N)C1 588132985 GVJUWWSPNZCDIP-UHFFFAOYSA-N 408.299 0.679 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 588278831 QVKZNYDEBOBODO-VBKZILBWSA-N 422.449 1.432 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1 589454250 QECWTZKYWKLLAF-QGZVFWFLSA-N 404.492 0.886 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccnn3C[C@@H]3CCOC3)C2)nc1 590272746 AMUVRFNTUHYJFI-JKSUJKDBSA-N 410.434 0.805 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 590292729 QTSSCONUIZXHHV-UHFFFAOYSA-N 423.416 0.931 30 20 HCED N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)o1 603940966 CCQPTKATNQURAO-UHFFFAOYSA-N 421.417 0.701 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1C1CC1 603998413 PJJSRWPTZDMXLN-UHFFFAOYSA-N 413.455 0.239 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCc2c1cnn2CCO 610859083 DMLNIPFJVVBEAS-GUYCJALGSA-N 417.491 0.608 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 615060237 YGTPMPUUOYMDCX-DAWZGUTISA-N 413.478 0.887 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 728534595 PRMYGOPPVZNONV-IBGZPJMESA-N 410.474 0.201 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 728536016 FAZWSYJHEFFZJO-KRWDZBQOSA-N 412.490 0.332 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc1 729009879 GINGTYVSLPBWMZ-HOTGVXAUSA-N 406.460 0.414 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCCC2=O)C1 732151136 IVEKAFUGSCHJLQ-CQSZACIVSA-N 404.492 0.729 30 20 HCED CC(CS(C)(=O)=O)=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 732526978 BTMMKUWNDZAOTM-UHFFFAOYSA-N 420.469 0.448 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cc(C)ccc3F)c2=O)cn1 732563391 WWLPCEXQZZMCIB-UHFFFAOYSA-N 411.462 0.812 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cccn2)cc1 743894059 IXYBWPYKAGKQCX-CJLVFECKSA-N 418.479 0.451 30 20 HCED COC(=O)CCN(CC(OC)OC)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 753633995 PVMZQISBIYFANL-UHFFFAOYSA-N 401.423 0.950 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)CC1 756641953 IFQVBJFVVQMXSK-UHFFFAOYSA-N 401.486 0.159 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 757593219 YBJXWBSBUPPBFK-DZGCQCFKSA-N 408.480 0.752 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3cccnc23)c1=O 758075449 HZNVVEAIDUOSMA-UHFFFAOYSA-N 400.463 0.873 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 761024796 PNOAKEVVORJUQH-ZDUSSCGKSA-N 416.450 0.700 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 765485329 SQSAKGSFRTUYJS-UHFFFAOYSA-N 420.491 0.577 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ccccc2O)CC1)c1cc[nH]n1 770813338 GAPNVLHJBARCBM-UHFFFAOYSA-N 401.423 0.748 30 20 HCED N#C[C@H]1CN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCO1 772754857 LNHCVZAJGRMRJS-QDECMSLZSA-N 401.448 0.458 30 20 HCED CN(C)S(=O)(=O)CCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 774525727 SKNZKIFYNPGHDU-OAHLLOKOSA-N 422.463 0.588 30 20 HCED COc1cccc([C@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N(C)C)c1 774946591 DDNPPBKPJLNRML-SFHVURJKSA-N 410.478 0.909 30 20 HCED CCCN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 782922553 HKQQPDBWPCNQLB-SILNSSARSA-N 410.496 0.669 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 783347378 JPQHOKXQKUEJCF-UHFFFAOYSA-N 409.464 0.478 30 20 HCED 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C=C(Br)CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 921042952 IZLSDVRBNLGCBO-UHFFFAOYSA-N 406.302 0.904 30 20 HCED C=CCn1cc(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCOCC2)nn1 1070181355 IXERHOCDMDPCJL-VUBIOHBQSA-N 401.467 0.283 30 20 HCED CS(=O)(=O)Nc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Cl 1116025217 KHICZUBELXHUSF-PEZBUJJGSA-N 412.855 0.968 30 20 HCED COCCn1cc(N2C[C@@H](C(=O)N3CCC(C#N)(C(=O)OC)CC3)CC2=O)cn1 1128861255 JWPMEWCBZFSJQR-AWEZNQCLSA-N 403.439 0.188 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1301806539 KAEHZLJONQBSSV-CYBMUJFWSA-N 404.500 0.998 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(CCS(=O)(=O)CCC(N)=O)CC1 1318688229 UHFMRBXXBDSLGC-UHFFFAOYSA-N 401.492 0.519 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1CCN(S(C)(=O)=O)CC1 1320556518 AAPVIPTVUCQMKC-UHFFFAOYSA-N 401.466 0.043 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cc1 1338290176 QMNHUMPSSMGHFK-UHFFFAOYSA-N 408.457 0.986 30 20 HCED CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCN(CC(F)(F)F)C1=O 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CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCOC3)sc(=Cc3ccccn3)c2=O)cn1 489044471 RQIMWDWMYKVOHT-AWEZNQCLSA-N 421.482 0.619 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)C1=O 499110822 KRZGYWKABDDXAX-UHFFFAOYSA-N 400.435 0.986 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2=O)cc1 501182576 OMBBXZNAEMZJGW-MRXNPFEDSA-N 420.491 0.293 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccon1 505666441 WRUFNBSBQMZXOD-UHFFFAOYSA-N 412.475 0.017 30 20 HCED C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1nnnn1C 506876763 SQZYOTUJQDFHNA-CYBMUJFWSA-N 403.424 0.474 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 510685994 PPAWMSZVYFJTOA-INIZCTEOSA-N 414.462 0.993 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2noc(C)n2)c2ccccc2F)C1=O 513237832 FZPIIDNHEQPMLN-AWEZNQCLSA-N 401.354 0.700 30 20 HCED COCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 513919777 FHTSKWJFFHKTBA-UHFFFAOYSA-N 418.479 0.940 30 20 HCED COc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 518818050 UPFSKCSUNQPRNX-UHFFFAOYSA-N 422.507 0.434 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cc1 519239464 IZWVBGHQUPKJBI-HNNXBMFYSA-N 424.523 0.269 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 522279725 YXWJSTANZUOQNG-UHFFFAOYSA-N 412.471 0.917 30 20 HCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 524280995 AFBPWPFDAACIIT-UHFFFAOYSA-N 424.507 0.907 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)CC)n(CC(N)=O)c1=O 530317752 PMYOEBQECRPACN-UHFFFAOYSA-N 401.492 0.120 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 531708604 SYCIADAYGRRVBI-GOEBONIOSA-N 404.492 0.838 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)n(CCC#N)n1 532563866 NCKFUOGACPONQG-CQSZACIVSA-N 422.453 0.219 30 20 HCED N#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 533030130 NQRUQHGHTVUCIC-UHFFFAOYSA-N 417.447 0.195 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 535288933 PKBMHAYGKIIQRR-UHFFFAOYSA-N 415.494 0.788 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 543247915 ZQQUSHWKGHVAPQ-UHFFFAOYSA-N 400.888 0.675 30 20 HCED C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(N)=O)C1 549326771 RNRGCZSKRUWFBG-OAHLLOKOSA-N 405.480 0.615 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@H]4COC[C@@H](C3)O4)ccc21 549740216 CUAFKTRCNMKAIW-CALCHBBNSA-N 412.446 0.834 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(CN(C)C)cc3)CC2)c1C#N 550483000 GHIYKIWAVJLAGV-UHFFFAOYSA-N 423.521 0.627 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)C2)c(F)c1 553166522 KQNKVVWMTFVFLP-CABCVRRESA-N 409.487 0.555 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)C2)c(F)c1 553166523 KQNKVVWMTFVFLP-GJZGRUSLSA-N 409.487 0.555 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C2=O)cc1 554694854 QKKUWIUIBBGNCX-VQTJNVASSA-N 423.517 0.862 30 20 HCED CCCCN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 555019606 FMZSYTNXCWDMQJ-OAHLLOKOSA-N 408.480 0.797 30 20 HCED COC(=O)CCN(Cc1ccncc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 555057433 OMACOWVAIKUFGL-UHFFFAOYSA-N 416.459 0.823 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1O 558108012 UINIXBURLWOUEN-QZTJIDSGSA-N 402.495 0.493 30 20 HCED C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 559027019 BCISPYFFHXROMO-INIZCTEOSA-N 419.507 0.876 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC 559353261 YKXUMSWECIOKKV-UHFFFAOYSA-N 423.473 0.978 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 561939111 LORTUSRVTIGVBS-INIZCTEOSA-N 414.506 0.679 30 20 HCED CCCCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 563571450 FMUVXWVQNDSXMW-UHFFFAOYSA-N 406.508 0.991 30 20 HCED CC(C)(C#N)CCS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 565684838 SFUUVOZZTGGVMA-UHFFFAOYSA-N 400.526 0.726 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 569009882 DNKUPCKWHJYPOR-QGZVFWFLSA-N 401.511 0.285 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 576364907 QJOKJJVONUWPQV-MRXNPFEDSA-N 400.435 0.839 30 20 HCED N#C[C@@H]1N(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC[C@@]12CCCCO2 584272066 XAUJUFKJAFRXFT-YJBOKZPZSA-N 404.448 0.832 30 20 HCED Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 584752114 RTYQOFBCTGFFDG-LPHOPBHVSA-N 417.491 0.833 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2CCN(C3CC3)C2)CC1 585726551 KWABOPYZKAUTKG-AWEZNQCLSA-N 412.494 0.673 30 20 HCED C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 588128725 IAPFPNGEUSQUNE-FXAWDEMLSA-N 413.522 0.496 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 589313757 SSQGLAJHBUYTQZ-INIZCTEOSA-N 403.464 0.219 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 604207275 BTJKFHJXVCENEM-UHFFFAOYSA-N 406.446 0.529 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 610291954 GDYFVGDKKKPADW-LTDCPUDJSA-N 409.446 0.201 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 610836201 OXOUSXRJNDVXAU-OAHLLOKOSA-N 411.480 0.836 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3nccc(N4CCOCC4)n3)CC2)cc1 610908639 SVBKNBVTJBDTQJ-UHFFFAOYSA-N 414.491 0.696 30 20 HCED C=C[C@@H](C(=O)OC)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 619719029 OLIXKAGWBHWBFW-ZDUSSCGKSA-N 400.453 0.717 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H](C)CN2CCCC2=O)cn1 726112397 OINHADRBDDBTAT-TZMCWYRMSA-N 406.512 0.982 30 20 HCED N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 732908228 ICFTYZCYWSMEHY-CQSZACIVSA-N 420.443 0.387 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sc(C)nc2C)c1=O 736588856 YTYNHWWDSLZBBH-UHFFFAOYSA-N 406.533 0.659 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C2CC2)cc1 737308279 YVTXUCBHALGELU-ODENVGOISA-N 422.507 0.715 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O 740235781 IYNLBRRNNOQTFV-ZDUSSCGKSA-N 405.794 0.965 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744666029 DXOBVNIGGUISGV-BBRMVZONSA-N 423.447 0.819 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCC(=O)NC(N)=O)cc1 747248182 HPOSALVVGFPOMC-BKUYFWCQSA-N 410.456 0.206 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 747735375 QLZIGURTQUTHQX-UHFFFAOYSA-N 419.503 0.738 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 755326450 LOYHTYGXUSNYOF-MRXNPFEDSA-N 423.510 0.519 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn(C)c1=O 755551188 XGMVNAWYHZNBFC-JSGCOSHPSA-N 403.439 0.508 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cccc(S(C)(=O)=O)c1 756908482 CWYNVFMUCLFFOU-AWEZNQCLSA-N 414.491 0.901 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758078891 RWIDAFWTSQGWBK-UHFFFAOYSA-N 417.494 0.758 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC(C)C 758554820 NMXMGRJDMMLWCG-UHFFFAOYSA-N 411.531 0.810 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)O1 758660462 FKAUAIDJQGVNCJ-YJNKXOJESA-N 409.487 0.680 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 761079262 WLNLFRXFCMPCAA-CYBMUJFWSA-N 415.381 0.628 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C(=O)N1c1cnn(C)c1 761145127 UZZGUABRFPVFDD-IAQYHMDHSA-N 414.397 0.710 30 20 HCED C#CCCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 763050947 CSNMLXICENCPRW-AWEZNQCLSA-N 406.508 0.056 30 20 HCED C[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 764687247 VKSHVMMUEWDIOK-MRCNATBGSA-N 422.507 0.979 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1Cc1ccon1 767959870 VHXFKJKUYAZRHA-UHFFFAOYSA-N 410.455 0.961 30 20 HCED COc1cccc2cc(C(C)=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)oc12 771897355 DHAOLXREOZVTOS-UHFFFAOYSA-N 406.420 0.541 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)cn1 772276429 CZBHGJTZJSIPPW-UHFFFAOYSA-N 401.492 0.128 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(CC(F)(F)F)C1=O 773094437 NAKNSUKXIORGDK-NSHDSACASA-N 418.397 0.395 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1)[C@H]1CCCO1 773800763 VSRBACSIGBRICW-VQTJNVASSA-N 412.490 0.586 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3c(ncn3-c3ccccc3)C2)c1=O 777958879 SHXJIZNBUZXZIJ-UHFFFAOYSA-N 420.473 0.745 30 20 HCED CCOC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 782770560 SQJPUSKSIGFWNS-KBPBESRZSA-N 411.480 0.180 30 20 HCED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 784850434 WADHPLCAUBCZFN-UONOGXRCSA-N 421.475 0.337 30 20 HCED CC#CCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 784897041 WUQILMLQEGMAEW-UHFFFAOYSA-N 414.434 0.439 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ccc(Cl)cn2)CC1 787775624 AFEGPGJXLMAGNK-UHFFFAOYSA-N 413.869 0.879 30 20 HCED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 788359395 OJGBLEUZPRXZKN-IMJJTQAJSA-N 406.460 0.773 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccccc2Cn2cncn2)n1 789786968 CWUXMERDMOAOOL-UHFFFAOYSA-N 421.461 0.770 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCCCO)c1 790983044 OGEQXVANSUPIEF-LTGZKZEYSA-N 410.496 0.717 30 20 HCED CS(=O)(=O)c1ccc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 791510455 DUMOQTXWHRNKCS-UHFFFAOYSA-N 408.457 0.872 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cc[nH]n1 794745004 NIDOSPCMCYXOID-LBPRGKRZSA-N 417.397 0.754 30 20 HCED Cc1cc(F)cc2c1S(=O)(=O)N(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2=O 804919929 FFTOYPDTNRAGTD-MRXNPFEDSA-N 422.482 0.971 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)c(F)c1 805880687 JEACBMXDOKIYLY-HUUCEWRRSA-N 418.450 0.490 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C 807536888 SZWHGUZSMJNLBN-INIZCTEOSA-N 407.492 0.810 30 20 HCED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2ncn(-c3ccccc3)n2)nc1 809173773 LXKJNEPIRNWXBI-UHFFFAOYSA-N 417.472 0.923 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)[C@H]1CCCO1 809304733 PJYQRKRDTHJSRO-ZWKOTPCHSA-N 404.511 0.906 30 20 HCED 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C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[nH]c4nccc3-4)CCO2)C1 1836441048 RIVMSXPVTGTBRU-BFUOFWGJSA-N 404.492 0.903 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837392743 HEYDPQZILQFXLN-DYESRHJHSA-N 420.510 0.372 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535178 XVCYEMBCLFPPKO-IERDGZPVSA-N 403.479 0.668 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839223582 ABUGFAXNZWLNPI-JXFKEZNVSA-N 421.498 0.599 30 20 HCED Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039931 KJNCVARKGVFZOQ-NRFANRHFSA-N 417.462 0.109 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1F 1840043633 LEDGMQFLAXCQJP-HXUWFJFHSA-N 404.394 0.292 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840157349 LUKQBENWKLYKHJ-YWZLYKJASA-N 403.504 0.875 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273074 LIHCAQWHOUBDOL-RJPLPAITSA-N 410.511 0.585 30 20 HCED Cc1cc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1840673645 RWKDNPFVWRNNHS-JOCHJYFZSA-N 414.458 0.770 30 20 HCED CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n1 1840812871 PWLHEIXMEZVMHI-FQEVSTJZSA-N 401.467 0.667 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccs2)C1 1842063956 OYDCCPKMFSMNIN-UHFFFAOYSA-N 417.535 0.963 30 20 HCED COc1nn(C)cc1C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842348408 CZZWXPPDUJNYOV-UHFFFAOYSA-N 400.479 0.944 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1842919276 NGPDGMPHQTYEBZ-UHFFFAOYSA-N 414.510 0.620 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](C)ON=C(C)C)C1 1845253909 KKFYCHQLWORDOM-XJKSGUPXSA-N 411.455 0.486 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847226106 DVKQMBUBYBGFBM-JYJNAYRXSA-N 420.510 0.923 30 20 HCED N#Cc1c(CCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)nn(-c2ccccc2)c1N 409572231 SSVYZPCKAUMABJ-HNNXBMFYSA-N 415.479 0.318 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)C1=O 410112593 GAFJNGHYDVCBMK-QGZVFWFLSA-N 409.508 0.779 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 410171587 MLYBWBUVNAVFAQ-UHFFFAOYSA-N 424.505 0.915 30 20 HCED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O 410307095 PMPPHOUZKJDKDO-INIZCTEOSA-N 407.492 0.551 30 20 HCED CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCOCC1 437951833 HTZSFJJGCKVYRT-QGZVFWFLSA-N 422.507 0.492 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 440276784 XCZSFRANHSDFDD-MRXNPFEDSA-N 410.409 1.067 30 20 HCED C=CCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 440297648 RYJADAMQTXCNEK-CQSZACIVSA-N 401.510 0.256 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O 442777734 FARCZFZJPPIYRC-KKUMJFAQSA-N 410.515 0.944 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 443062076 AEZXVZAQOAZDNM-UHFFFAOYSA-N 409.942 0.869 30 20 HCED Cc1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)cc1S(N)(=O)=O 446457910 OKTCYDCRLIQJEA-UHFFFAOYSA-N 401.448 0.918 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 448499769 UUIPGJWAPMFHGU-UHFFFAOYSA-N 413.457 0.743 30 20 HCED Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)n1 460612528 CXXRKMXSYGSBCY-HNNXBMFYSA-N 420.433 1.484 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@@H]3c3cccs3)CC2)o1 464761042 CAPUBOGLFNNURD-KRWDZBQOSA-N 414.491 0.738 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 465187474 ROPFULVKJWPZBH-GFCCVEGCSA-N 423.389 0.902 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2ncnn2C)cc1 475422674 PEGNCVPXSIZMTI-LBPRGKRZSA-N 406.468 0.438 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)c2ccccc2OC(F)(F)F)C1=O 478111232 NBSALUIWNUAEPT-NSHDSACASA-N 415.324 0.712 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 479915004 PVQCMJAKMMILAT-ACJLOTCBSA-N 412.471 0.664 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)n1 482337125 SIYRCWZOILUFAY-UHFFFAOYSA-N 413.423 0.562 30 20 HCED CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 482826884 NFADSRSULZJKNY-YOEHRIQHSA-N 422.507 0.225 30 20 HCED C[C@H]1CCc2c(sc(NC(=O)CCN3CCN4C(=O)C(=O)NC[C@@H]4C3)c2C#N)C1 485425082 AEDMGIZSUIYZGP-QWHCGFSZSA-N 415.519 0.716 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)CC1 485830848 SWJXFWIZCDRKDQ-CQSZACIVSA-N 424.417 0.785 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 488909700 BFUJXYBOFDWVQK-HNNXBMFYSA-N 409.487 0.857 30 20 HCED COC(=O)c1nc([C@@H]2CCCN2S(=O)(=O)N2CCO[C@@H](C#N)C2)sc1C 499493205 GYYDXBLCHKNKLB-RYUDHWBXSA-N 400.482 0.844 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccccc2)c1=O 502056491 VYLGCSOQSXVABB-UHFFFAOYSA-N 419.510 0.668 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 507516259 ILENGIZTGUDOMV-UHFFFAOYSA-N 411.465 0.253 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ncn(C)n3)nnc12 509310453 LXFXFTOUMMKNTH-UHFFFAOYSA-N 410.463 0.767 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CC(N)=O)c1ccccc1 512261348 AEQXUJQKNBQZFE-SUMWQHHRSA-N 400.460 0.958 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513982557 FLHBQYNJLZNYLN-YJYMSZOUSA-N 417.491 0.465 30 20 HCED N#Cc1cc(Br)ccc1CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 516987564 AUYSXMKDALUHAE-HOTGVXAUSA-N 414.325 0.908 30 20 HCED C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 521593719 MVJFSVMMQDASMD-VBQJREDUSA-N 400.435 0.625 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)cc2)c1N 525611279 NVZBNYYKTLRYJX-UHFFFAOYSA-N 420.433 0.634 30 20 HCED COc1ccc(C(=O)NCCN2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 533384594 KCDWCRVPPSZODQ-KRWDZBQOSA-N 401.511 0.803 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)cc1 534582188 NDHPMYPDZSDESV-INIZCTEOSA-N 421.479 0.015 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1=O 535693020 WJWIKKKQUCLNJT-UHFFFAOYSA-N 423.260 0.469 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C2CCOCC2)CC1 542291311 VBGIBHMLUJTQRN-UHFFFAOYSA-N 416.478 0.845 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cn2nc(C)cc2C)C(=O)O)c1 548205595 GAJDCIRSJHRTIL-MRXNPFEDSA-N 406.464 0.847 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOC[C@H](C4CCC4)C3)n2)cc1 551367238 ZPSBRFDAMXIMJY-GOSISDBHSA-N 408.462 1.412 30 20 HCED Cc1cc(C#N)cnc1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 551937336 IGECIEAEMCAVNB-UHFFFAOYSA-N 414.443 0.836 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c1 559723666 ZHZIRVFBZWZZMS-UHFFFAOYSA-N 405.458 0.957 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)COc2ccc(C#N)cc2OC)C1)C(N)=O 561417329 ILWUFPUPGSYDHI-UHFFFAOYSA-N 402.451 0.564 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCN2C(=O)Cc3ccccc32)n1 566591458 YRCVNVCWWKZKPA-UHFFFAOYSA-N 415.413 0.783 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1F 569653330 NOVGNDCZCQTYOL-UHFFFAOYSA-N 401.442 0.793 30 20 HCED CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 577024320 QXJQWVSVOMVPKS-INIZCTEOSA-N 422.493 0.968 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(c4cnc[nH]4)CC3)C2=O)cc1 578359281 WMPVCXWTTHYMRF-GOSISDBHSA-N 420.473 0.905 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCO2)CC1 583275853 ANMBGLQJJOOVKY-MSOLQXFVSA-N 418.542 0.775 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 583623664 WSLQDSZKQCAMCM-UHFFFAOYSA-N 408.358 0.403 30 20 HCED CC(C)N1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 585686601 GSGICUWETMGKMK-LJQANCHMSA-N 411.506 0.764 30 20 HCED CN(C[C@H](O)CNC(=O)COc1ccc(C#N)cc1)C(=O)COc1ccc(C#N)cc1 590565116 PLMCDSDTEKYCGP-GOSISDBHSA-N 422.441 0.823 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 609285745 OLUKERIPVIUZJG-ROUUACIJSA-N 406.508 0.550 30 20 HCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615629897 XCOXKFQBVUJOCR-KRWDZBQOSA-N 411.459 0.406 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C1=O 672340975 YDLMFAJREKTINS-YOEHRIQHSA-N 406.433 0.905 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 677462416 MPEJQDHTSOCYTH-HUUCEWRRSA-N 407.471 0.166 30 20 HCED N#CCNC(=O)COC(=O)CCNS(=O)(=O)c1cccc(Br)c1 731235668 UHIASCUBQRBZOG-UHFFFAOYSA-N 404.242 0.300 30 20 HCED COc1cc(CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc(OC)c1OC 732910828 SRIIKPCVJPATRX-CQSZACIVSA-N 424.475 0.611 30 20 HCED COC(=O)CCc1nc(CON=C(N)c2ccc(N3CCC(O)CC3)cc2)no1 744446121 PGROXSFUZAYMFB-UHFFFAOYSA-N 403.439 0.973 30 20 HCED CCOC(=O)N1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748232653 JAIYWFURYSBVPJ-UHFFFAOYSA-N 408.480 0.806 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 755494115 SQSRWDRGUPHHED-IKBYJFNHSA-N 408.480 0.491 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758481684 UKNHPAIIJGKGKA-GOEBONIOSA-N 422.530 0.597 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758775616 KCHWTBIKPCYVNO-MJBXVCDLSA-N 415.516 0.469 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccn(C)c3)c2=O)cn1 763460619 KZVNIDSJEBWFEK-UHFFFAOYSA-N 424.530 0.729 30 20 HCED C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3cn(CC(=O)O)nn3)nc2)C1 768481857 FZQWVBXNGMSDAY-STQMWFEESA-N 421.483 0.870 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](CO)OC[C@@H]1C 768999137 KKFFSLXFRRDROT-LZWOXQAQSA-N 409.508 0.892 30 20 HCED CSCCNC(=S)NN=C(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1 769591919 FIPAKFCJQFWLCK-UHFFFAOYSA-N 415.610 0.832 30 20 HCED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NS(=O)(=O)CCCC#N 777350701 NQJJBHQIYUCKFH-ZDUSSCGKSA-N 404.489 0.402 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)c1 783454642 GVYMYUOMLOUYRF-UHFFFAOYSA-N 422.441 0.828 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1 783480666 LIHXMFLKEWCRDG-AWEZNQCLSA-N 418.450 0.907 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(c3ccc(C#N)nc3)CC2)cc1 791051936 MJQWSEXWXMHTEP-UHFFFAOYSA-N 424.490 0.655 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)n1 796140233 HDBCWYVIWCLCNL-UHFFFAOYSA-N 418.479 0.870 30 20 HCED CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 796376771 KIMVJNIWVBESNF-VLUKHXRESA-N 408.455 0.655 30 20 HCED CN(CCCNC(=O)COC(=O)c1ccn(-c2cccc(C#N)c2)n1)S(C)(=O)=O 798800810 NXGWLAPSGUXXDP-UHFFFAOYSA-N 419.463 0.298 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 800659366 UGDXNKFMHMYDHC-TZMCWYRMSA-N 411.455 0.610 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N(C)c1nccs1 801289644 HKOQROACVXEPPM-LLVKDONJSA-N 408.461 0.888 30 20 HCED COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 805501931 UTOJGLVVXGLVBO-NEPJUHHUSA-N 410.448 0.925 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@H]1CCCO1 809310770 RUGLYIQIMFOFLD-ZWKOTPCHSA-N 417.893 0.850 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[C@H]1CCCO1 809310792 URBTUBFWWCQICD-IAGOWNOFSA-N 403.866 0.808 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 810781711 AXVDFVMNNRGTEU-JXMNSVBMSA-N 403.460 0.259 30 20 HCED Cc1nc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)cc1C#N 812460837 AHZYJMDYOJAKED-CYBMUJFWSA-N 418.928 0.554 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(N(C)C)nc3)nc2)CC1 814746318 ULKUSILXDRGFRE-UHFFFAOYSA-N 404.500 0.320 30 20 HCED CN(C)c1n[nH]c(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 819673257 LCVIFYAYUFDIEM-UHFFFAOYSA-N 417.495 0.315 30 20 HCED CCN(CC)S(=O)(=O)c1cc(C(=O)[C@H](C#N)C(=O)NCCOC)ccc1OC 916893235 XZMGEDIKNPBTGC-AWEZNQCLSA-N 411.480 0.811 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917761305 JYNWNWWLUXIOAJ-UHFFFAOYSA-N 417.535 0.537 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)NC1=O 996861231 XUHCYRFGRPPWMU-ZVZLPEGASA-N 404.467 0.158 30 20 HCED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1003051133 ZOXKLJLPDBPIGI-NNRKOQHJSA-N 415.494 0.767 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)F 1303860585 CDIINNGEUVRWTH-CMPLNLGQSA-N 421.449 0.627 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCCO1 1319823470 AULCHYCRFDFFJH-MRXNPFEDSA-N 412.515 0.623 30 20 HCED C=CCN(C(=O)c1cnn(CC(OCC)OCC)c1N)[C@@H]1CCS(=O)(=O)C1 1322791233 KQBRGGQARXLIOE-CYBMUJFWSA-N 400.501 0.680 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(OCC)cc3)CC2)C1=O 1340946839 ZKPNFXVMPUBOFV-UHFFFAOYSA-N 400.435 0.711 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(=O)nc1O 1446136144 LPUFTTSKRUIGEK-QGZVFWFLSA-N 409.446 0.561 30 20 HCED CCN(CC)CCOC(=O)c1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1449172845 XFHFLYXCUNCOHB-UHFFFAOYSA-N 413.434 0.958 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)CCOC1 1502729711 RSPZANCYYUEFLD-OXJNMPFZSA-N 418.498 0.718 30 20 HCED C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)n1cnc(C#N)n1 1532592638 ACJXVCNKSXNYGP-QKCSRTOESA-N 414.388 0.785 30 20 HCED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H]1OC 1555787502 ITEYCVGOVBTVRX-IYBDPMFKSA-N 420.495 0.216 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)CC1 1555996876 WDCXCGYCJFHOCU-HNNXBMFYSA-N 421.527 0.395 30 20 HCED N#CC[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 1570694893 KWKIQSWJVVYTMA-AWEZNQCLSA-N 402.270 0.604 30 20 HCED CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 1656796021 UJMYIOLTYCXOEN-UHFFFAOYSA-N 404.414 0.972 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 1675454773 OSIMDZAVBWHHRP-OAQYLSRUSA-N 415.494 0.907 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1710734461 DHMZYTIDOAQOCW-KRWDZBQOSA-N 417.514 0.240 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCOCC2)C1 1731183781 VXJNEPHKHLEVON-FQEVSTJZSA-N 413.457 0.988 30 20 HCED CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1778122519 VSAMOQIYQKAPSZ-FQEVSTJZSA-N 406.483 0.987 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778833261 VRTNQFLFOKQHPK-IZRJCCQOSA-N 419.478 0.161 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1778967284 DWOJXWXQOSCYJW-IERDGZPVSA-N 409.527 0.552 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1778978139 DBYKHCLDILERQS-IFXJQAMLSA-N 406.439 0.940 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102494 YZGYWIKPAJSDTL-FWQQEFPFSA-N 405.455 0.393 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1779104580 MIRIJCYFSQHTJV-OIHJJOSYSA-N 419.482 0.550 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1779362863 SPRIUFJZKIGWSA-NGZPXXNWSA-N 403.487 0.404 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335107 OFNZTLDAVWTAQC-JLTOFOAXSA-N 409.450 0.620 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1781269687 GYOCRLHSCIUJHG-FQEVSTJZSA-N 400.435 0.839 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1781397760 ZKMGSYVPBHHSDW-QRWLVFNGSA-N 414.466 0.974 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnn3c1CCC3)C2 1782015710 ZMMVLNRPPPQFED-OXQOHEQNSA-N 400.435 0.045 30 20 HCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1782362300 SJDUXIPUIUPGLA-MBOZVWFJSA-N 402.499 0.942 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782672436 PSSVSPNGHNGHJQ-HXUWFJFHSA-N 420.466 0.374 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)C(C)=O)C[C@@H]21 1784492411 LPAYGTLDLWTTHX-WNHJNPCNSA-N 409.527 0.816 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784557604 ALBVBWYSJJJXEY-DYESRHJHSA-N 402.495 0.812 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785213975 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C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(CCOC)n1)C2 1793349478 YWCHVVUGIPMRRI-XEMDLRDOSA-N 420.510 0.716 30 20 HCED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1793472225 JMQLYQRGEXIPRS-LLLHUVSDSA-N 410.515 0.539 30 20 HCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ncccn13)C2 1795275993 REKCMCGLGBBVJG-RMFSNUHRSA-N 415.453 0.984 30 20 HCED CC#CC[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)N(C)C)c1ccccc1 1795463945 IATVDPRFALBZNG-YRPNKDGESA-N 411.502 0.861 30 20 HCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](N)c2ccccn2)c1 1795614645 WAEUHGGYJVFVMH-HRYATBACSA-N 423.448 0.996 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCN(C)CC1 1795886004 OIIPQPCCUSFJKX-FCGDIQPGSA-N 406.571 0.835 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ccncc12 1796213225 QHPIOFDUJIYVKW-ZJOBFFGXSA-N 414.466 0.962 30 20 HCED 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C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)[C@H](O)C=C)CCO2 1837393144 LIXGHFWUNOJGQI-XMSQKQJNSA-N 424.538 0.999 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838216985 PFTJASIFKWGJPX-OXQOHEQNSA-N 419.482 0.656 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838345779 FEJWTATYLTUIQS-YWZLYKJASA-N 420.466 0.146 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905880 DOIKCWMWRIASQC-GHTZIAJQSA-N 400.479 0.626 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)cc1 1838951920 PMKKPOHNXXTNOF-QFIPXVFZSA-N 422.441 0.575 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840163137 DNOLURVMLYHFDO-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1840168528 SNFWGWQFXHHFLW-NRFANRHFSA-N 400.479 0.703 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840422537 BRJVKIZIFLVGKF-IERDGZPVSA-N 416.478 0.855 30 20 HCED 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N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CCO1 409502034 OGJYYCWGOOAZDG-YPMHNXCESA-N 418.397 0.869 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O 410154062 HXIBLJINRVEVKK-CQSZACIVSA-N 402.904 0.680 30 20 HCED COc1ncc(-c2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)c(N)n1 426221559 BDSQSVMLDFYLGD-UHFFFAOYSA-N 401.408 0.976 30 20 HCED COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 427061800 XKAQXKJSBLCZSO-KRWDZBQOSA-N 402.842 0.862 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 443699338 QPOPPKPNESLVFF-UHFFFAOYSA-N 408.480 0.682 30 20 HCED CCCc1c(NC(=O)C(=O)NCCCS(N)(=O)=O)cnn1-c1cccc(C#N)c1 443754111 STNHDSMHKXMDTO-UHFFFAOYSA-N 418.479 0.430 30 20 HCED C[C@@H](O)C[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443873549 CLTSKHIDZBZSIG-SJLPKXTDSA-N 420.535 0.626 30 20 HCED COCCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 446539518 MPHLTMQJPTVADD-MRXNPFEDSA-N 423.491 0.970 30 20 HCED Cn1c(=O)c2ccn(CC(=O)Nc3ccnn3-c3ccc(C#N)cc3)c2n(C)c1=O 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20 HCED C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 484859014 VFYSLDWYBQPBGJ-ZUKSIGSZSA-N 400.464 0.504 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 485676589 VLKUPJYSSQZODS-INIZCTEOSA-N 402.432 0.465 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(Cc4ncc[nH]4)CC3)C2=O)cc1 488244688 FFBJSHFEEXRNTK-SFHVURJKSA-N 407.478 0.910 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1F 489694588 HUYXFCVOYQFVHD-OAHLLOKOSA-N 417.484 0.512 30 20 HCED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 499431332 NBEHHQZZHAUKLF-JKSUJKDBSA-N 401.463 0.731 30 20 HCED C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)N1CCC1 506894552 MUBPHTBZYJEVQS-OAHLLOKOSA-N 404.448 0.983 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 509602509 ITJDPCZCHMFJLF-QWHCGFSZSA-N 406.555 0.685 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 509952345 MZEIUUCJXKQQLN-OAHLLOKOSA-N 410.496 0.577 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 510201252 QARRHPPQTRSXLY-LLVKDONJSA-N 420.479 0.753 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C1CC1 514327299 HVBJMFLFHIPPFV-UHFFFAOYSA-N 414.443 0.419 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C 517389717 OCOMAUDDGOWDCF-UHFFFAOYSA-N 407.442 0.771 30 20 HCED Cc1nc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)no1 521241397 JADZDBWQEXDDKR-UHFFFAOYSA-N 418.479 0.528 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCO1 521582510 OYLWNFGNIQJZDL-SNVBAGLBSA-N 413.399 0.440 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCOCC 523732829 FFLVDHWZXSOSKW-UHFFFAOYSA-N 406.533 0.822 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)C[C@H](C)O1 535373296 STLVKMVHEMNRFY-HOTGVXAUSA-N 406.508 0.864 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 535373298 STLVKMVHEMNRFY-IYBDPMFKSA-N 406.508 0.864 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 537487917 WIQMGJTYLMJVCM-SFHVURJKSA-N 424.505 0.995 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCSC[C@H]3C#N)CC2)c1 539332835 SWCKMHUJHYOPRW-QGZVFWFLSA-N 408.549 0.914 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)NC(=O)NC3=O)CC1 539480651 NPEMIGJRIMQPCA-CQSZACIVSA-N 416.507 0.131 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(O)(C(=O)OC)CC1 543266845 CVHWKYMIHZCTRL-UHFFFAOYSA-N 405.407 0.048 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cncn3)CC2)n1 544864090 QJBHQHMGLCPWPW-UHFFFAOYSA-N 403.406 0.216 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccccc2OC)N(C)C)C1=O 549987484 OBMJYDZBULYCDK-DLBZAZTESA-N 402.495 0.659 30 20 HCED Cc1nn(-c2ccccc2)cc1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 554507850 NBJOLJRFWOAYJS-UHFFFAOYSA-N 420.477 1.065 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1ccccc1N1CCCC1=O 556409576 LDYJDJZFNJCXMS-UHFFFAOYSA-N 405.436 0.709 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)n(-c2ccc(C#N)cc2)n1 560213110 GWFGXGKJTWDEOQ-AWEZNQCLSA-N 422.445 0.901 30 20 HCED CN(C)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 561219607 IFOUUEWFCSDGCC-MRXNPFEDSA-N 404.540 0.756 30 20 HCED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 562036855 OJWDWBAIQUTKMT-LSDHHAIUSA-N 411.470 0.705 30 20 HCED COc1ncc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C(N)=O 567456218 BADZSAGIECUGEM-ZDUSSCGKSA-N 410.390 0.074 30 20 HCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 572789180 IPDBDPNGWJTOHN-HNNXBMFYSA-N 411.483 0.121 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c1 583903631 DEMXFAFZAIABCP-AWEZNQCLSA-N 420.413 0.216 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)n1 585688986 LKLFSKTYFHYTKB-UHFFFAOYSA-N 412.494 0.511 30 20 HCED CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 585761033 RYIGVHDPNUDZOB-WBMJQRKESA-N 417.441 1.096 30 20 HCED N#Cc1ccc(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 588894517 QPPJOSUXZQLGNY-SFHVURJKSA-N 414.487 0.581 30 20 HCED C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCCN(Cc2ccc(C#N)cc2)CC1 590615041 IQZCDQWRBHSWEM-QFBILLFUSA-N 404.536 0.758 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 610700762 RBMAKSWDJYVMCM-AWEZNQCLSA-N 421.461 0.313 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 615254274 HGNAMQRVVYSWEX-UHFFFAOYSA-N 415.494 0.678 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1C 617622021 KIFXZIYCPBDVBY-CRAIPNDOSA-N 410.471 0.680 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CCc2ccccn2)c1 727406020 RIZFICIFUBQSOH-UHFFFAOYSA-N 414.487 0.424 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nc(N)nc(Nc3ccccc3OC)n2)CC1 728572898 PJYFJEHMHBWSPB-UHFFFAOYSA-N 410.482 0.073 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1=O 730585187 RCSOQMMPGINRKE-SFHVURJKSA-N 403.443 0.773 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 742908140 UUNAKVQISQZKDZ-DYVFJYSZSA-N 415.475 0.255 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CC3)c2=O)cn1 743726205 IRMWTPBEEJEDGI-UHFFFAOYSA-N 415.519 0.363 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cc(C)ccc1F 744121547 GRJGCGXVFBBMSV-UHFFFAOYSA-N 423.473 0.885 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(C#N)cc1 746553120 RLWLZWWKEWGOOS-UHFFFAOYSA-N 406.420 0.301 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)CC1 747993932 QCHYFAGZSYVRSF-UHFFFAOYSA-N 410.474 0.736 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(CC)CC)C1=O 751059651 NWNBACJNIJGGDR-INIZCTEOSA-N 414.462 0.559 30 20 HCED C#CCN1CCN(C(=O)CNc2ccc(CC(=O)N3CCSCC3)cc2)CC1 754307216 DIUVHZQZQWGTSB-UHFFFAOYSA-N 400.548 0.994 30 20 HCED C[C@@H](CC(=O)NCC1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 756357301 BTTDSBKMYIPLKR-LBPRGKRZSA-N 413.521 0.445 30 20 HCED N#CCOc1cccc(CC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1 760641375 NCFYEXSPEZFQOQ-UHFFFAOYSA-N 403.416 0.961 30 20 HCED C[C@H](CC(=O)N[C@H](CCO)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 764406226 QLJBIJSBXIPAOY-CZUORRHYSA-N 409.508 0.798 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC(C)(C)C 767637016 MDFROUZUTXBJME-NSHDSACASA-N 410.452 0.393 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 773949379 XAOZSKMMEFTMFO-OAHLLOKOSA-N 406.508 0.431 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](O)C2)c1 774372550 VDFNIAQXLVHYLR-MUNYZGMTSA-N 422.507 0.811 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 783482065 UDCMGLNEVXXRPP-INIZCTEOSA-N 403.460 0.933 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 786909044 HMRCLWAYOHMSTK-UHFFFAOYSA-N 406.489 0.868 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O 787776596 JMPBJLQDIVQPJP-GOSISDBHSA-N 420.473 0.789 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)CC1 789975419 BAEQAJFIJGMQRH-HDICACEKSA-N 413.522 0.593 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 790310893 YACMZDHQCLEYQH-UHFFFAOYSA-N 419.320 0.680 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCC3)cc1 792261775 UZFKCWKKYKNCEJ-UHFFFAOYSA-N 417.491 0.471 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 796120279 AELOULULFRVFTK-UHFFFAOYSA-N 411.481 0.807 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OC 796456719 VLYMQXAHHADDLU-CQSZACIVSA-N 408.432 0.468 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 798393770 GIETXKMHALIHDP-CYBMUJFWSA-N 405.459 0.344 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 804390590 BVONYGLNSQLWRF-PWSUYJOCSA-N 405.398 0.744 30 20 HCED C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812388393 BAZDKJYETSJHIZ-SJLPKXTDSA-N 415.519 0.927 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(COC)cc(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 815590731 GWCCHBFHUJKDBW-MRXNPFEDSA-N 422.459 0.207 30 20 HCED CC[C@](C)(CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 821572468 GBHGIMZVFAEUPR-AFDUHFSSSA-N 410.496 0.715 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918291606 ZMRMAWZUBXJEHP-FXBPSFAMSA-N 421.523 0.602 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1 918299791 XPBWNLCNVJFSAV-CAPFRKAQSA-N 408.480 0.421 30 20 HCED C#Cc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)cc1 990917544 FQVVIKLBMFXQGC-KCTPXNJMSA-N 417.469 0.865 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301012975 JUYYUHPYZLPQRU-UHFFFAOYSA-N 409.922 0.569 30 20 HCED N#C[C@H](C(=O)CN1CCN(CC(=O)NC2CC2)CC1)c1nc(O)c2ccccc2n1 1319494063 ODKAFJQHEMOTEJ-MRXNPFEDSA-N 408.462 0.408 30 20 HCED CN(C)C(=O)NCCN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1319822120 RWEMHKHVNCRTCR-HNNXBMFYSA-N 400.439 0.493 30 20 HCED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1463446318 KBQWGHALSMPCSO-JTQLQIEISA-N 402.270 0.534 30 20 HCED CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C#N)cn1 1524455001 TVITWPIQLFREQG-UHFFFAOYSA-N 407.473 0.702 30 20 HCED COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)Cn1cnc(C#N)n1 1556624181 ZNDCVLDZCDMFJG-LLVKDONJSA-N 408.256 0.888 30 20 HCED CC(C)NS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1556977627 YWFFKSGPSGINOO-INIZCTEOSA-N 423.514 0.911 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CC[C@](O)(CC#N)C1 1659155145 IXPYDSPTNWWMQZ-SCLBCKFNSA-N 410.496 0.623 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@]3(O)CCCOC3)CC2)cc1 1674075924 KLSATOXPIBKSHO-LJQANCHMSA-N 422.507 0.506 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCOCC1 1698495782 XCALUJJAFMJALD-INIZCTEOSA-N 423.539 0.852 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1780098504 ASKSQOVMBYMWGJ-QHCPKHFHSA-N 420.469 0.943 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H]3CCC(=O)N3)CCO4)c2c1 1782194637 LHQAAAUCSRTDPI-HRAATJIYSA-N 422.445 0.157 30 20 HCED N#Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)ccc1F 1783166386 WZWKHWLAWWQJPA-KKSFZXQISA-N 414.437 0.206 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cc3cn4c(nc3=O)SCC4)CCO2)C1 1783900346 GOAFKHBKLYRGFI-XIKOKIGWSA-N 424.548 0.040 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CCOC)CCO2)C1 1785574172 AEFIWCVRYZJVAQ-KKSFZXQISA-N 423.510 0.769 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612504 HQZOSTJPBWQXIP-FOIQADDNSA-N 409.483 0.114 30 20 HCED NC[C@H](N)C(=O)Nc1ccc(C2(NC(=O)/C=N/O[C@H]3CCCCO3)CCC2)cc1 1788559769 RJSUKJAKKSEDPL-XNOGWTHNSA-N 403.483 0.936 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cccn3)C[C@@H]21 1788657580 AWZVLORSMVYRFO-KPEINUBZSA-N 419.482 0.392 30 20 HCED CC[S@@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344562 DAXDHWNZYCQRFT-DQAROLNZSA-N 406.508 0.638 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)C(C)(C)C)C[C@@H]21 1789890298 MHHDVGFHLZQQPU-NBOOPKSLSA-N 410.511 0.883 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C[C@@H]21 1790793485 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COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(CCOC)C(=O)C1 471096359 TWSKXNDMJAOOQB-UHFFFAOYSA-N 418.450 0.229 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CN(CC(C)C)CCO3)CC2)c1C#N 471862534 SKXKCYMJJMDPCZ-KRWDZBQOSA-N 403.531 0.789 30 20 HCED Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c1C#N 474422438 RUKJUSDTWZLWHX-UHFFFAOYSA-N 415.435 0.020 30 20 HCED CS(=O)(=O)C1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 474675405 JFVMKSJLHFISAH-MRXNPFEDSA-N 404.492 0.926 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 474788360 DYKVRFWYPGDIBN-HZPDHXFCSA-N 407.540 0.367 30 20 HCED CNC(=O)[C@@H](NC(=O)CN(c1ccc(C#N)cc1)S(C)(=O)=O)c1ccccc1 475757993 IHTRBGUHQJUKCL-SFHVURJKSA-N 400.460 0.928 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OC 481799468 WODLZWUJXBGBNB-INIZCTEOSA-N 403.435 0.186 30 20 HCED CCN1CCN([C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482180428 RPFNKTTUZGBWNC-HZPDHXFCSA-N 407.540 0.367 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 484630221 FDZXPGKJCLMZCI-UHFFFAOYSA-N 402.495 0.950 30 20 HCED CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486004593 LPDDTIYWFNLFFV-INIZCTEOSA-N 411.462 0.886 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 487411833 IFKCIGNYPFZGBN-IAGOWNOFSA-N 423.477 0.711 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c(Cl)c1 490415044 ZKQNIRIDYKCTOP-UHFFFAOYSA-N 413.821 0.682 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 496882380 PVUQMNNIOQZCOG-UHFFFAOYSA-N 412.471 0.951 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](CNS(N)(=O)=O)C2)c(OC)c1 500328065 XBLFJUVUCSTZEU-IRXDYDNUSA-N 413.540 0.669 30 20 HCED N#C[C@@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccc(F)cc1 502747054 CSFOHESIECPHIW-CYBMUJFWSA-N 404.379 0.762 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCCN3CCOCC3)CC2)C1=O 507652959 BYHYUYQKCYTNSE-UHFFFAOYSA-N 406.483 0.314 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)n1 509166032 VVLVSENADAPSAU-UONOGXRCSA-N 400.505 0.763 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)N(CCO)CCN3CCOCC3)CC2)nc1 511394293 OGKIZLZLHYTQPX-UHFFFAOYSA-N 417.510 0.979 30 20 HCED Cn1cc(S(=O)(=O)NCCN2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 513978235 HWLJMRPESITMNW-UGSOOPFHSA-N 400.464 0.044 30 20 HCED C=CCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)C(=O)O 517005359 OFSFSJGXJBVZRR-YVEFUNNKSA-N 411.436 0.448 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 519128344 OWHYMXWQWXCNIB-DYVFJYSZSA-N 418.519 0.988 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 521169551 VJPXJQKMKXOWHG-INIZCTEOSA-N 401.510 0.466 30 20 HCED CCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCS(=O)(=O)C1 521264607 GVTCTFDZGMFGBC-HNNXBMFYSA-N 413.521 0.836 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccccc3)c2=O)cn1 522384129 JRODKWTUJPZQEA-UHFFFAOYSA-N 423.498 0.381 30 20 HCED COC(=O)Cn1ncc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1C 530297307 SISKROPQLLSEFD-UHFFFAOYSA-N 405.436 0.495 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2C)c(=O)n1C1CC1 530317955 UOMUOUDDVLSIKA-UHFFFAOYSA-N 405.483 0.988 30 20 HCED C=CCN(C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)[C@H]1CCS(=O)(=O)C1 539442919 JHTUYQXHVAZSSE-HNNXBMFYSA-N 406.464 0.945 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)n2)c(Cl)c1 543005861 ZBZWTIKCOJHPAM-GFCCVEGCSA-N 413.825 0.572 30 20 HCED CCN(C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1)S(C)(=O)=O 546711826 RKWNRQBHPJMTDY-UHFFFAOYSA-N 408.480 0.778 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCSC1 551210048 SHLVANIVVXQKKL-LJQANCHMSA-N 402.524 0.155 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 554863918 KMQARLCVNRFLFN-UHFFFAOYSA-N 411.466 0.223 30 20 HCED CN(CC(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 557191397 PGEDWJYQSRQBCC-FUHWJXTLSA-N 417.491 0.949 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1=O 559717920 KEUGRVRACAGZMD-UHFFFAOYSA-N 409.240 0.576 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCn4ccnc4C3)CC2)cc1 564270332 DDGBAVOJAUTAIJ-IBGZPJMESA-N 406.490 0.920 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C2 565278096 YHKRXINCLVOCFS-AWEZNQCLSA-N 402.418 0.850 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 608796605 DPQSCSSZURSMMN-UHFFFAOYSA-N 407.430 0.710 30 20 HCED C=C(C)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 670220289 GIUFFYMTKDSPEM-UHFFFAOYSA-N 421.509 0.975 30 20 HCED C=CCN(Cc1ccccc1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 672351765 DCUBNWXASZNECS-UHFFFAOYSA-N 411.549 0.696 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c1 673501758 IKLPDXMULKAIBV-GOSISDBHSA-N 420.535 0.576 30 20 HCED Cc1cc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n(CCC#N)n1 727091947 QLHSHMTZFBAOKD-UHFFFAOYSA-N 419.243 0.950 30 20 HCED N#C[C@H](C(=O)CCCNC(=O)c1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 732910181 KVQVAEHLUMCPRE-OAHLLOKOSA-N 409.439 0.302 30 20 HCED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nc1 732911706 GHSIZSDFVQQCML-UHFFFAOYSA-N 414.487 0.964 30 20 HCED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CCC1 736845807 OZXGPGJAXHGYRA-UHFFFAOYSA-N 409.439 0.896 30 20 HCED N#C[C@@H](C(=O)CCN1C(=O)CCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 739183999 RQOVVGBDXWEYPB-HNNXBMFYSA-N 403.460 0.322 30 20 HCED C[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)CN1CCOCC1 742694742 JZXDGWUWDXVGTL-HUUCEWRRSA-N 408.524 0.588 30 20 HCED C[C@H]1CN(C(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 745496641 OIZDSQBUBWKUIF-MCIONIFRSA-N 423.491 0.683 30 20 HCED C#CCNC(=O)C1CCN(CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)CC1 747820161 KRMBIXJIHYQOEV-GOSISDBHSA-N 414.462 0.912 30 20 HCED C#CCNC(=O)C1CCN(CC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)CC1 747820163 KRMBIXJIHYQOEV-SFHVURJKSA-N 414.462 0.912 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 749186613 XTJFFNQKXRUGSJ-UHFFFAOYSA-N 411.480 0.837 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)N2CCOCC2)cc1 750730502 LYHNXMLRXBSMDI-UHFFFAOYSA-N 401.466 0.071 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 753881630 NGCBHNYIZBEROK-CYBMUJFWSA-N 409.464 0.183 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 755538228 PGKLSLAIPKDHNN-HZMBPMFUSA-N 419.413 0.738 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C2CC2)c1=O 758076993 KBCXVBGOHRKVRE-UHFFFAOYSA-N 419.506 0.782 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)cn1 758499499 IYIXUGHKWFJMSC-QEJZJMRPSA-N 417.470 0.584 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 761033196 UDOBVPAQLDSEHP-HZPDHXFCSA-N 410.565 0.885 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](CC)c2ccccc2OCC)CC1 761038060 SAERQWBKYCYOLZ-GOSISDBHSA-N 422.551 0.738 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 761095550 HCVDXCVTYDIYLL-UHFFFAOYSA-N 422.445 0.874 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCCn2ncc(C#N)c2N)c1 761157890 WKKKWURMNDNUNE-UHFFFAOYSA-N 407.452 0.427 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 764406060 GAPOUQHLVBXULO-MRXNPFEDSA-N 414.890 0.670 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(n2ccnn2)CC1 764994560 DTZDBCRBGOSXBY-UHFFFAOYSA-N 402.480 0.961 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=NN(CCO)C(=O)CC2)cc1 765472020 OCBLFYRLOLCRCB-PGMHBOJBSA-N 421.479 0.409 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(O)CCC2(CC1)OCCO2 765744615 TUWAQARHWZDFLE-AWEZNQCLSA-N 423.491 0.389 30 20 HCED COC[C@@H](O)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 766149729 QWYFUEXXMXTJEA-SUMWQHHRSA-N 405.451 0.907 30 20 HCED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1=O 771080934 SMSQUSPAJOEOGK-KRWDZBQOSA-N 422.438 0.733 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)C1=O 771748486 XDZIMIAUAFHEKE-CHWSQXEVSA-N 408.455 0.820 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)cn1 772304333 UPHNKLDXRUIIMJ-UHFFFAOYSA-N 413.503 0.413 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC([C@@H](O)C(F)(F)F)CC1)c1cc[nH]n1 772385699 HZAVDIFIMBMDBW-CQSZACIVSA-N 406.361 0.855 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(OC[C@@H]2CCOC2)CC1)c1cc[nH]n1 772546120 XVYKWFFORPWVIH-CQSZACIVSA-N 408.455 0.738 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CCOC 777942633 ZOGWGMYXTATAII-UHFFFAOYSA-N 401.463 0.809 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1 783158948 KWFZMDBBVLTRKD-GOSISDBHSA-N 411.524 0.969 30 20 HCED COc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NC2(C#N)CCC2)cc1OC 784227963 ADRJHLALHXPWRZ-UHFFFAOYSA-N 410.448 0.973 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nn[nH]c2C1 787078447 NZXKFIUZNKWTMS-AWEZNQCLSA-N 402.480 0.843 30 20 HCED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 789369098 VSFVUMAYDAYSQM-STQMWFEESA-N 411.480 0.209 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)OCC)c(C)cc1F 793018219 POXGHEYEMNDUMF-UHFFFAOYSA-N 400.428 0.966 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CCSC)C(=O)NC)ccc1F 809309288 FCOUGANITVGKAA-ZDUSSCGKSA-N 403.501 0.888 30 20 HCED C#CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 809888523 XRABQHRGZVAOGT-QGZVFWFLSA-N 424.490 0.734 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 810784117 SDXXVYXIEAKUII-HZSPNIEDSA-N 400.522 0.753 30 20 HCED CC(=O)N1CCN(S(=O)(=O)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 813943306 ATRQRRJYTWTPHL-QGZVFWFLSA-N 405.480 0.052 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 815340279 UTJFMRKFNBPAKT-UHFFFAOYSA-N 400.416 0.655 30 20 HCED CN(CCCNC(=O)COC(=O)c1cnc(C(F)(F)F)c(C#N)c1)S(C)(=O)=O 815475965 FOWHTAMOBXYPNA-UHFFFAOYSA-N 422.385 0.527 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 916868843 WGQJRARPPJQSTH-YCRPNKLZSA-N 412.446 0.632 30 20 HCED CC(C)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCOCC1 919315530 JUOLEZIWVQNSOB-SFHVURJKSA-N 408.476 0.900 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C(C)(C)C#N)CC2)cc1 919350690 OKAQNXVJORKDMM-UHFFFAOYSA-N 421.475 0.815 30 20 HCED C=C(Br)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 921075325 IXQVBIPXTAPERT-UHFFFAOYSA-N 421.273 0.303 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cc1c(C)nc(O)nc1O 999700821 CXHAUGNQKXVLKA-WOOFSFRISA-N 402.451 0.578 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)n1 1290626444 XEIKGRIPDWBWMY-UHFFFAOYSA-N 420.543 0.819 30 20 HCED Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1304717457 VMYSXRQVQBELAY-JSGCOSHPSA-N 406.516 0.968 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1309369874 ZEBYLJARJJHSAF-UHFFFAOYSA-N 415.493 0.300 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)NC2CC2)CCO1 1316535643 WUCDFWOOTSKEJC-OAHLLOKOSA-N 424.465 0.713 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cnn(-c3ccccc3)c2C)C1=O 1322136096 MORDICPNIOIFBQ-UHFFFAOYSA-N 410.386 0.883 30 20 HCED CS(=O)(=O)c1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1Cl 1343444086 ZYKCJIWGWXRWOG-LLVKDONJSA-N 418.880 0.323 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1545146201 QAAMWTNFJNQNEJ-LIRRHRJNSA-N 417.491 0.591 30 20 HCED COCCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1555413809 MEMQKNTYIBYNCM-CABCVRRESA-N 411.528 0.972 30 20 HCED CC[C@@H]1COCCN1CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1594772722 MGUVJRUUMVBYEP-HUUCEWRRSA-N 408.524 0.731 30 20 HCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1611621609 OECSRXDJJBCEDW-ZRGWGRIASA-N 405.478 0.639 30 20 HCED CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCOCC2)CCOC1 1616125646 LDDAXUNBJOERIF-UZLBHIALSA-N 420.514 0.917 30 20 HCED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1683744147 LSXNLRBFYMMOES-CYBMUJFWSA-N 408.484 0.289 30 20 HCED 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CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839682769 GOEBMCDEBNBSML-LIRRHRJNSA-N 409.439 0.308 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(Br)n3)C2)C1 1839807622 AHRVEGSBZXZIAO-OAHLLOKOSA-N 414.281 0.609 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1839809815 MUMBLIJZXYVZFU-IIBYNOLFSA-N 423.510 0.769 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)C2)C1 1839811567 BUBAUHXHIDUKKX-IIBYNOLFSA-N 423.510 0.769 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3sccc3Cl)C2)C1 1840042376 RJELNLBTDXSDLL-QGZVFWFLSA-N 412.851 0.560 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840161638 WMDIWQJOEFFLKV-PXAZEXFGSA-N 410.521 0.784 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840365760 MPWXLQKMUHVMBS-JXFKEZNVSA-N 407.467 0.573 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840424139 CWEMVTMDURCIFP-UZLBHIALSA-N 402.451 0.609 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)c(F)c3)CCO2)C1 1840784695 ZJDVKQARUMJYCX-DJJJIMSYSA-N 412.483 0.706 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840905907 URLQKBRUDCNPEA-QFIPXVFZSA-N 415.490 0.757 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)ccc1F 1845203891 JYWQQTBFGXLIAV-UHFFFAOYSA-N 410.405 0.368 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1845254669 DXZKBOZEDFVRDH-QGZVFWFLSA-N 405.543 0.771 30 20 HCED COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCCC#N 19420224 DQRKDINJLBLALT-HXUWFJFHSA-N 414.418 0.185 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC 26272362 FGXLEHZFNNWSQS-UHFFFAOYSA-N 404.408 0.477 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@H](C)O1 30666530 XQTVPTNWOYQPEB-HOTGVXAUSA-N 422.507 0.435 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCCC2=O)cc1 57914110 QHLONYYADAPAGX-UHFFFAOYSA-N 422.507 0.560 30 20 HCED C#CCN(Cc1ccc(F)cc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 109329984 VICRDUNRBUBDLK-INIZCTEOSA-N 405.451 0.953 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCNS(=O)(=O)c3cccnc3)NC[C@@H]2C1 305224303 VECPFGUKOBSXCJ-CQSZACIVSA-N 424.527 0.240 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 409489388 YOTXZIYOKCTCHM-HNNXBMFYSA-N 422.515 0.037 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 433890618 MSBABTCIAUESHU-CYBMUJFWSA-N 420.433 0.680 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c1C 436688094 NJBVIRYZOFKTCZ-BDJLRTHQSA-N 410.434 0.401 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(C#N)CCOCC1 440701749 BIXKFIZVEVZEAQ-UHFFFAOYSA-N 409.464 0.519 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)ccc1OC(F)(F)F 443289165 YHODOEJFTKHXEU-UHFFFAOYSA-N 413.312 0.453 30 20 HCED CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1C 443368589 DRUBHUYJYCCFMI-YJBOKZPZSA-N 409.494 1.468 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 444314463 PIXQZLZYHCJMMH-CJNGLKHVSA-N 413.521 0.651 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463208607 XWTHDHTUVYMGGX-GNVJSZRZSA-N 408.458 0.558 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 465501009 HLFNQZQBHXYSHR-CYBMUJFWSA-N 421.504 0.651 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)C1=O 466499477 LSDODKLOASIQGW-HNNXBMFYSA-N 408.476 0.867 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 467543336 OAFQSGNMHPYTKG-UHFFFAOYSA-N 419.463 0.737 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)C1=O 467688041 WAULVPDSWCAXKD-INIZCTEOSA-N 408.480 0.875 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)C2)n1 471811694 PJBKAAPPIBDIHD-NVXWUHKLSA-N 420.539 0.510 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3sccc3S(=O)(=O)N(C)C)CC2)c1C#N 472277287 MWQJLWJEPFFKLU-UHFFFAOYSA-N 422.536 0.874 30 20 HCED N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 480439279 SUBHSQSIAYHOIS-UHFFFAOYSA-N 416.459 0.716 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)s2)c1=O 482550978 CKTLMRJJQMYVCB-UHFFFAOYSA-N 414.512 0.615 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@]2(CCCOC2)O1 485269249 SNOZFDPEFNSJPI-JLTOFOAXSA-N 410.434 0.874 30 20 HCED CN(CC(=O)NCc1ccc(NC(N)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 504230960 XOKCHALWQIVWMN-UHFFFAOYSA-N 401.448 0.986 30 20 HCED CC(C)(O)CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 512351223 DAQQGRQRWKUHTK-UHFFFAOYSA-N 401.423 0.732 30 20 HCED COCC(=O)N1CCC(NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 513998069 YRKXRJBFCPQIGX-LHSJRXKWSA-N 411.462 0.679 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 514979580 KRTWRHRDOVSBPS-UHFFFAOYSA-N 404.329 0.540 30 20 HCED C=CCCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 518229824 YMSUSKCSVXBEMC-CQSZACIVSA-N 423.491 0.832 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 518288871 SFASNPKMRLKGIW-UHFFFAOYSA-N 422.489 0.651 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCOC3(CCOCC3)CC2)n1 520901755 OYIWUKHMJUYBPX-UHFFFAOYSA-N 410.434 0.876 30 20 HCED COc1ccc(CCN2C[C@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cc1OC 524813115 CMPMSHZORZJTKR-QGZVFWFLSA-N 400.479 0.763 30 20 HCED COC(=O)Cn1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1C 527009570 DMLAHJXPQKFLHY-LLVKDONJSA-N 405.436 0.542 30 20 HCED COC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 532761603 FILFPKVXKBTYEN-GOSISDBHSA-N 408.480 0.198 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@H]2C(N)=O)CC1 540589913 BUKNDKKUUXJKBE-SJORKVTESA-N 405.499 0.437 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C[S@@](C)=O)cc1 543268386 ITCYJTNIVKAZES-UOXLDJKESA-N 401.510 0.315 30 20 HCED CCOC(=O)c1cnn(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)c1C#N 544745200 AMVJZSXLILDDNN-NSHDSACASA-N 417.447 0.557 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccnc(N2CCCCC2)c1 550276740 HXEZQMBTPGDHKN-UHFFFAOYSA-N 424.509 0.956 30 20 HCED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1=O 550544454 UTXWATWSUPVQEC-GFCCVEGCSA-N 407.224 0.911 30 20 HCED CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCc2cccc(C#N)c2)CC1 550592236 WMYSIJMVINNRKS-UHFFFAOYSA-N 413.522 0.917 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 558993931 QUVQBWQMANTFRC-CQSZACIVSA-N 406.516 0.581 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)n1 570714595 DONOVADNYJEUSV-ZDUSSCGKSA-N 421.866 1.029 30 20 HCED N#Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cnc1C(F)(F)F 571064770 FRUWWTPQDACDOP-CHWSQXEVSA-N 418.397 0.200 30 20 HCED CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574311158 PQJYWQXURAKFFG-SLFFLAALSA-N 423.517 0.718 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 583903632 DEMXFAFZAIABCP-CQSZACIVSA-N 420.413 0.216 30 20 HCED COCCN(CCC#N)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 588631044 JEEFJODMRGJAEE-HZPDHXFCSA-N 414.462 0.411 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 588649569 HJPIRJUSWFCNHS-UHFFFAOYSA-N 415.269 0.456 30 20 HCED Cc1ccnc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 589372671 SMTSUAZVBLGXDZ-UHFFFAOYSA-N 401.448 0.637 30 20 HCED CC[C@H]1CO[C@@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610863153 SDIJSQVALWAMJN-WMZOPIPTSA-N 420.535 0.890 30 20 HCED CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 619707768 ITCUUTVVMWJJGO-KRWDZBQOSA-N 415.560 0.016 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 641892723 JDTPWXSLMOEKOC-UHFFFAOYSA-N 423.516 0.859 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1 672612712 RLGGQNDYHXUJDK-IBGZPJMESA-N 424.505 0.187 30 20 HCED C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC(=O)NCCN1CCOCC1 673741166 STFYJSHINHRYFA-UHFFFAOYSA-N 413.478 0.615 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccc(CC)cc2)C1=O 726043248 UBACWSNAYNCUCT-UHFFFAOYSA-N 401.419 0.727 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(CC)c2C)c1=O 728558552 PJFKVLZURVNOJJ-UHFFFAOYSA-N 414.531 0.800 30 20 HCED N#CCOc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 731211499 LHKNYDIGBXXLCF-QGZVFWFLSA-N 413.521 0.223 30 20 HCED CCC(CC)[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1CCOCC1 732444224 JGGXAYOKKHHSHT-VRTBNJGNSA-N 407.515 0.949 30 20 HCED C#CCN1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 733161485 SGWDVCKBOCEEOK-UHFFFAOYSA-N 421.519 0.036 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2sc(-c3cnn(C)c3)nc2C)CC1 734434819 AAAUKABMOPVVNA-UHFFFAOYSA-N 400.508 0.749 30 20 HCED O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCCN/C(O)=C1\N=CC=CC1=O 735116635 RISUXRANMVQADD-ISLYRVAYSA-N 424.454 0.527 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCC 743727411 BDRVULRZURVCJF-UHFFFAOYSA-N 417.535 0.582 30 20 HCED CN(CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 743733292 LHECDVQQYBRCRC-INIZCTEOSA-N 406.508 0.577 30 20 HCED C[C@@H](CC(=O)OCC(=O)NC(=O)NC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 745495794 IHHNFZRHIBIUKV-NSHDSACASA-N 424.479 0.671 30 20 HCED COc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)cc1OC 745791795 LIPFLDPCIBOQCY-UHFFFAOYSA-N 418.431 0.480 30 20 HCED C[C@H](CC(=O)OCC1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 753580264 FOVDMADBZUBYDG-GFCCVEGCSA-N 414.505 0.872 30 20 HCED C=CCN(C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 754063151 BBBPCFUIWPEBRC-PMACEKPBSA-N 423.579 0.853 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCOC 755628072 PHIFQPOQXXNNRO-UHFFFAOYSA-N 405.426 0.640 30 20 HCED CN(C)CCn1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1=O 756063073 NDGPDDALCPAMIM-UHFFFAOYSA-N 417.491 0.477 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 756304667 CGHCSOSCXHWGGT-UHFFFAOYSA-N 408.476 0.799 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 762011093 NYDPWYDBKDWBTR-MRXNPFEDSA-N 414.443 0.895 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C2CCN(C)CC2)CC1)c1cc[nH]n1 772155614 LDJLIBIGHLJPNY-UHFFFAOYSA-N 420.514 0.368 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(CN3CCC4(CCOCC4)C3=O)CC2)cc1 777517906 UNJUKXOGBOXAAX-UHFFFAOYSA-N 418.519 0.851 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)nc1 787121768 FZIUDZHIXPFZBH-QGZVFWFLSA-N 400.483 0.241 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCc1ccc(C(=O)NO)cc1 788248250 PGRCYGRNKSOBEZ-LLVKDONJSA-N 409.468 0.139 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 788341108 YZCZZLOLVWNGOE-UHFFFAOYSA-N 406.446 0.900 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cc3c(C)nc4[nH]n(C)c(=O)c4c3C)CC2)c1C#N 788535211 AJOMTAGKPVQLCQ-UHFFFAOYSA-N 422.493 0.683 30 20 HCED CN(CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 793587673 ILNXOFAFZQRFQQ-MRXNPFEDSA-N 405.480 0.246 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCc4nn(C)cc43)nc2)CC1 794484649 ZYKMWIFCNSOEJD-UHFFFAOYSA-N 403.512 0.904 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 799286053 CNOWHEZRMFLXIH-PBHICJAKSA-N 409.508 0.734 30 20 HCED CC(C)n1c(S)nnc1C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 800055377 JXZRKQLHAKCCKQ-ZDUSSCGKSA-N 400.530 0.796 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 800661459 WICFOFZUJXEUFG-GXTWGEPZSA-N 411.455 0.610 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCS(=O)(=O)CCc1ccccc1 800707744 VILIEGGHZHBBGU-ISLYRVAYSA-N 420.491 0.470 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 891270316 OXALAWWLWFYBMC-UHFFFAOYSA-N 421.500 0.306 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)c(C(F)(F)F)c1 918538709 MKSSHFDOBVBJBH-UHFFFAOYSA-N 411.383 0.417 30 20 HCED CN1CCC(C#N)(NC(=O)c2cncc(C(=O)NC3(C#N)CCN(C)CC3)c2)CC1 1117707306 LDYOUOCMHKOJBJ-UHFFFAOYSA-N 409.494 0.517 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccnc1 1288870806 QXGHLAHDOHCJBN-ZFWWWQNUSA-N 405.484 0.255 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C 1295743817 XTQHCBQOTAAPOH-CABCVRRESA-N 422.507 0.321 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301037308 SVDBQGPSQNGESS-GJZGRUSLSA-N 421.933 0.725 30 20 HCED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N 1301972458 VMEWUOLINDRXHP-AWEZNQCLSA-N 411.532 0.324 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1314872073 UPPBEIZILQBKRL-MRXNPFEDSA-N 420.495 0.218 30 20 HCED CN(C)C(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516965521 LWADJZHHMZDONZ-SFHVURJKSA-N 408.510 0.919 30 20 HCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C 1518518804 JAOPIGZDJQCLME-AWEZNQCLSA-N 400.439 0.683 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1538701179 MCHRDBAXUKRLFR-QWHCGFSZSA-N 403.254 0.628 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2SCC(N)=O)c(=O)n1C1CC1 1559453271 WXGLMOKYHDBTTG-UHFFFAOYSA-N 413.459 0.741 30 20 HCED CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1617320025 MQRZIRIKAIKPPC-QWHCGFSZSA-N 403.530 0.353 30 20 HCED 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CCOC(=O)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834765112 JLEIIWOHSNNMFX-OAQYLSRUSA-N 415.446 0.847 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1835096276 YUWLYWNPMJARKX-HSZRJFAPSA-N 420.469 0.527 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349504 GQMWIELUQKKPOG-QFIPXVFZSA-N 424.457 0.697 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn5cccnc45)CCO3)C2)C1 1836843177 IMRIBWMGRFMNPS-OAQYLSRUSA-N 411.462 0.766 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1836870459 JQYPTVKUXKEUMU-JKSUJKDBSA-N 407.511 0.712 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837288070 DJLORNRNNALQEK-JWPKLBNJSA-N 405.539 0.995 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837392790 HGJRZCJJYGWWDQ-KKSFZXQISA-N 421.469 0.864 30 20 HCED CC(C)NCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441722 AYMKECBSRAWUJB-KURUZVKSSA-N 423.558 0.303 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838529020 GUMNTHBDQRRAGH-KKSFZXQISA-N 419.478 0.046 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)c4nncn4c3)C2)C1 1839808493 RVWOPCVTZJLEGZ-GOSISDBHSA-N 403.826 0.086 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1839838407 NDUKQORIHIZINT-SCLBCKFNSA-N 409.512 0.862 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840168590 VCMQLTHAGMWDGK-OAQYLSRUSA-N 411.462 0.603 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1840323368 DIWPCQXLZHDGAE-NRFANRHFSA-N 420.510 0.782 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C)o3)CCO2)C1 1840506217 DZVZXOQJOYGGKA-LAUBAEHRSA-N 404.463 0.625 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nc5ccncc45)C3)C2)CCC1 1840813777 VTAJJRYSOVYZPD-NRFANRHFSA-N 424.461 0.722 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1841612332 PEAQJNMGZHJFPP-RHSMWYFYSA-N 403.483 0.251 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843079842 KTPJUOOUAPIAPT-OAHLLOKOSA-N 418.498 0.951 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)N1CCN(C)CC1 1844283282 KUABCOWLRTXRJI-IBGZPJMESA-N 416.566 0.524 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1845253000 IPVDQXJJZDQABO-OAHLLOKOSA-N 414.528 0.416 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(N3CCCC3=O)cc2)c1=O 7815008 NCBNNDJNSQKGNY-UHFFFAOYSA-N 410.430 0.553 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)/N=c2/[nH]c(CN3CCOCC3)cs2)c1 21129500 QMFJYZRSAJIXRT-UHFFFAOYSA-N 420.516 0.561 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C)nn2C(C)(C)C)c1=O 53576985 WVJYARPNEPEKAR-UHFFFAOYSA-N 402.455 0.442 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N(C)CC(F)(F)F 429895040 HCMDPWBFQUMUFF-UHFFFAOYSA-N 404.374 0.716 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccc4c(c3)COC4)n2)cc1 431695519 APVIDLPZYSODPM-UHFFFAOYSA-N 402.414 1.483 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 440094020 DDARYONUWZODIT-HOTGVXAUSA-N 415.537 0.741 30 20 HCED CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCNC1=O 441520095 AUEQXTCEOBQFFF-KRWDZBQOSA-N 404.492 0.696 30 20 HCED Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 441629599 XFIUUYDROLYHKT-HNNXBMFYSA-N 408.397 1.314 30 20 HCED C[C@H](O)CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)CO 443311787 TVUJSBKINJAYKP-CABCVRRESA-N 417.466 0.518 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCC4=O)c3)CC2)c1 448244994 WMHKPWUFNZHPNY-UHFFFAOYSA-N 404.430 0.977 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@@H](CO)C3)n2)c(F)c1 464123783 VDSIVUBUEOZJCF-GFCCVEGCSA-N 407.352 1.298 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C#N)c1ccccc1Cl 469487986 NPRKCRVCMCMHDQ-CQSZACIVSA-N 400.888 0.855 30 20 HCED CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 473571782 SGJUKNRRBUODNF-DLBZAZTESA-N 405.886 0.819 30 20 HCED C[C@@H](NC(=O)CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 475760649 OQAUEZPSWOBSCP-GDBMZVCRSA-N 422.507 0.321 30 20 HCED C=CCc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc(OC)c1OC 476552952 VAROWOZBONKZSG-DLBZAZTESA-N 424.519 0.348 30 20 HCED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccco1 481484215 VBYAIUGLBGLEDO-QWHCGFSZSA-N 404.448 0.639 30 20 HCED CN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 481538882 OFWGSQKVOREPEZ-INIZCTEOSA-N 405.480 0.195 30 20 HCED C=CCOC[C@@H](NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 481753955 WEEICJMBBXYQGF-HUUCEWRRSA-N 404.419 0.671 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)cs1 488977551 RQWABUXYTVXGKQ-UHFFFAOYSA-N 419.532 0.946 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1C 504483551 XOXDHWUZKLAEBT-UHFFFAOYSA-N 424.461 0.818 30 20 HCED CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511907502 BREWPDWPPHMEFE-HNNXBMFYSA-N 401.467 0.510 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 514951080 BFSNAEYJFBMHHO-GOSISDBHSA-N 414.510 0.075 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)c1 515899802 OLXIAJCTXALNOD-UHFFFAOYSA-N 421.509 0.397 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1 518627041 KQEFSYCQKDCSCV-OAHLLOKOSA-N 405.457 0.481 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccon1 531684641 WTTICHPQFYJQRW-UHFFFAOYSA-N 411.399 0.103 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@]2(C)CCS(=O)(=O)C2)c1 539909049 RMLWRQUUYLCPCR-DNVCBOLYSA-N 415.523 0.789 30 20 HCED C=CCc1cc(C(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc(OC)c1OC 541551088 DHDBIMHKKGWHGO-UHFFFAOYSA-N 421.479 0.697 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)c1 550585616 XLXHEWYWHDIAQX-KRWDZBQOSA-N 418.461 0.645 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cn2)C[C@@H](C)O1 551847780 ZUWIXGDFXFTSAR-ZIAGYGMSSA-N 404.471 0.466 30 20 HCED N#CC1CCN(C(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 552196023 MRZLUHHYTPTUFI-UHFFFAOYSA-N 400.479 0.776 30 20 HCED COC(=O)c1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 553508725 HHHUXWWTSMYNAM-UHFFFAOYSA-N 401.444 0.982 30 20 HCED C=CCCOCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 555974440 VXDHNEHDADQMBJ-UHFFFAOYSA-N 402.495 0.399 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 557600664 LNIOCUAONFFQPS-KUHUBIRLSA-N 420.491 0.744 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F 558091126 GBMRDVMGRYGQQE-CYBMUJFWSA-N 404.489 0.637 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCNS(C)(=O)=O)C2CC2)c1 559262417 ORIMBXLYXQBQLT-UHFFFAOYSA-N 401.510 0.305 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 561453666 ZTQQYAYYJLGBBQ-CWLKWCNXSA-N 414.506 0.066 30 20 HCED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 568066572 MGJNGDUSJIHPAV-UONOGXRCSA-N 412.368 0.551 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1ccc(F)c(F)c1F 571119660 OWHKZDYQFHNQCC-UHFFFAOYSA-N 408.384 1.031 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3CCS(=O)(=O)CC3)C2=O)cc1 577006883 MWBUDIKUGDWVKA-KRWDZBQOSA-N 404.492 0.783 30 20 HCED CN(C)S(=O)(=O)c1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)nc1 578595438 BGWAGEZWFLONHA-UHFFFAOYSA-N 410.500 0.412 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 578816821 KUQQVHMLXPCNQQ-MVJQZIEYSA-N 417.535 0.798 30 20 HCED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 583939306 HWIGGVHLRLGHNF-CQSZACIVSA-N 423.429 0.736 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 586871641 NEXNUQUCRDCRCK-OAHLLOKOSA-N 409.487 0.474 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(=O)OC)C2CCOCC2)cc1 609956640 FRKPVHNWGBBXRS-QGZVFWFLSA-N 417.462 0.873 30 20 HCED N#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 611040615 UPGAGCKXFLKTLC-UHFFFAOYSA-N 405.933 0.967 30 20 HCED COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NC1CCN(CC#N)CC1 611601928 CUVAJFCTPIVIIJ-UHFFFAOYSA-N 404.423 0.533 30 20 HCED C[C@]1(C#N)CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 612366977 JNIIQHQHUUHZEC-QIIPPGSGSA-N 422.463 0.871 30 20 HCED C#CCCN1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 725715854 KRKXBSUYMMDOKR-SFHVURJKSA-N 400.479 0.714 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)Nc3cnccn3)C(=O)N2CC(=O)NC)cn1 730725746 YJNMPFVMKQQLQX-LBPRGKRZSA-N 416.467 0.399 30 20 HCED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 733204500 RBTZPKFBHGWTIC-UHFFFAOYSA-N 404.558 0.275 30 20 HCED CCc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(N)(=O)=O 737096176 FVFJHZKSOAFGNR-UHFFFAOYSA-N 416.463 0.330 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 737169126 WXXSMEDMABBDIV-INIZCTEOSA-N 412.490 0.838 30 20 HCED CN1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 737241847 MVKZVDKRWVCCFG-CHOFAJOMSA-N 421.523 0.506 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 739912021 DXBUOEZQEHOPCV-HNNXBMFYSA-N 420.535 0.927 30 20 HCED C#CCN(CC#CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 742002889 WYFAVPWYTUDZCY-UHFFFAOYSA-N 420.487 0.823 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)cc1C 748696234 RWDGKSQTGLHYOF-INIZCTEOSA-N 412.450 0.577 30 20 HCED CC(=NNS(=O)(=O)C(C)C)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 749747526 IGUVFACHOYVNRC-UHFFFAOYSA-N 404.558 0.968 30 20 HCED N#Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)NCCCN2CCOCC2)CC1 751110849 GWHILUKQCIGSJS-UHFFFAOYSA-N 402.455 0.916 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)ccc1F 751430406 KMDWTUIVAWFZPY-OAHLLOKOSA-N 415.487 0.055 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758040373 JRBZNYNVWCWXTI-UHFFFAOYSA-N 411.483 0.588 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)c(C)c2)c1=O 758049935 LGYKOCPDHQXZET-AWEZNQCLSA-N 413.474 0.645 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)c1 758176888 DIRAJESTFCJASS-UHFFFAOYSA-N 422.488 0.532 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C1 758752373 BQQCCWUPCPNVEZ-KBPBESRZSA-N 408.503 0.337 30 20 HCED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1C#N 758867973 MZBJPNBEIXJEMR-LJQANCHMSA-N 410.390 0.430 30 20 HCED O=[N+]([O-])c1ccc(NN=C2CCS(=O)CC2)c(S(=O)(=O)N2CCOCC2)c1 761793461 KKVFCGXSIZDZGL-UHFFFAOYSA-N 416.481 0.926 30 20 HCED Cn1cnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 768415447 BMZBTXQORMAFEB-DSGGYQJVSA-N 413.507 0.922 30 20 HCED C#C[C@@H](C)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 769645834 PDBOQHSGTSDXHV-MRXNPFEDSA-N 421.519 0.788 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)C#Cc2ccccc2)c(N)n(Cc2ccccc2)c1=O 773446427 DDHNJTVUAMKEBH-UHFFFAOYSA-N 417.421 0.955 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCCO1 774867488 XZENAVWHUUZWNQ-OTWHNJEPSA-N 403.454 0.612 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780929888 GJANEYSYSQEWNT-QGZVFWFLSA-N 402.432 0.255 30 20 HCED 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415.494 0.529 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1831216045 FOTLXDGFNZGTIE-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1831386710 IZPAUHWGLGYFMW-KUHUBIRLSA-N 410.467 0.996 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3OC)C2)C1 1831396412 LPAJYIHKPXRLSD-QRWLVFNGSA-N 422.503 0.865 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1831397460 YQBMITRPGACKCX-KUHUBIRLSA-N 424.885 0.182 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1831419718 PRSOBBBVXRSDGV-BBTUJRGHSA-N 409.527 0.518 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1831424460 JTSQPFLHDAMLPD-UTKZUKDTSA-N 403.479 0.672 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1831437706 GSEMRHPQBSXEDZ-OQBWYENPSA-N 416.478 0.537 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn1 1831485364 BUOQRJMZYXGJAU-LPHOPBHVSA-N 408.524 0.809 30 20 HCED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](S)C(C)C)CCO3)C2)COC1 1831495963 PUPPGPQBEKSJJQ-BEFAXECRSA-N 400.541 0.824 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1832446719 FJTCQSWILBUFOJ-QFBILLFUSA-N 400.541 0.769 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833464091 OGPQEGFBRBSBRY-IAGOWNOFSA-N 418.538 0.123 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1833474116 ZSCGIKSJGOQWFE-HNNXBMFYSA-N 404.515 0.591 30 20 HCED Cc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834040728 ROFHUTVCRWAJFB-NRFANRHFSA-N 409.446 0.974 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834395391 DDMSDNUBLYQNHZ-QRWLVFNGSA-N 406.483 0.063 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1834760458 DCRMLXWFPKTELB-SFHVURJKSA-N 408.842 0.484 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cccn3)CC2)CC1 1834881492 YTTSSNMPXRHHFY-QGZVFWFLSA-N 401.511 0.493 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352114 OVOHSOWAIQVRBV-QINHECLXSA-N 407.467 0.336 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)c1 1835536666 QURDQIMKIXXUNT-YVHKJVDXSA-N 414.506 0.978 30 20 HCED C=C(C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1)C(F)(F)F 1835703665 VWBOMUQBIGWEOU-UHFFFAOYSA-N 415.416 0.552 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1835713877 RIQLJGCTADCOGN-KRWDZBQOSA-N 419.526 0.007 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1835717067 IZTPYUYUPAXSBP-MAUKXSAKSA-N 408.543 0.266 30 20 HCED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835886373 SDFMVMRQFIRTFV-XZEIMLRBSA-N 420.510 0.543 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836171772 PKAZTUHABATNKY-QFIPXVFZSA-N 423.473 0.833 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836190613 SFAMUBLACNDWRB-AVRDEDQJSA-N 417.506 0.654 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(C)cn1)CCO2 1836195314 KAQBAFRQNGZYKD-IBGZPJMESA-N 408.524 0.567 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1837441015 MXJMSFZJJNHETL-VZBSEDMKSA-N 405.455 0.216 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447921 YDXOYXOZNCYDEG-FNNTWHHHSA-N 404.511 0.718 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838732501 UJNKHLNADMPJGE-FQEVSTJZSA-N 410.434 0.369 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(C)=O)C2)C1 1839174604 LZLUBNJMQNTRRO-FQEVSTJZSA-N 410.467 0.321 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1839422078 AXRAVIPDJSKHJF-KKSFZXQISA-N 417.437 0.804 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1)C(F)(F)F 1839892130 VLNZVKYCFAOXGM-INIZCTEOSA-N 418.372 0.314 30 20 HCED Cc1ccc(C(=O)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164422 JFPYUHILQXROEM-QRWLVFNGSA-N 406.504 0.952 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840241948 DNSTVGHKESBMLY-KJWYOANISA-N 402.850 0.406 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cccn3)CCO2)C1 1840438658 JDQHTKCOMLOORV-SQGPQFPESA-N 406.483 0.492 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840449019 WVPYUDBPASQXKB-KRWDZBQOSA-N 413.425 0.336 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1F)CCO2 1840812102 ZNEICYHEHBEYPO-HXUWFJFHSA-N 422.384 0.052 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815535 XVGNOXXZAANPOE-XIJQHFHMSA-N 404.467 0.177 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1841618138 IEEZICHXULMMRZ-INIZCTEOSA-N 410.536 0.569 30 20 HCED Cc1cc(NC(=O)CC(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)no1 1844258950 MSIJJACLDBEQSI-CIAFOILYSA-N 416.482 0.987 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846971354 RQAXIWFFKCCDMX-AWEZNQCLSA-N 404.467 0.034 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(-n2cnnc2)cc1 1847263230 MFJWIMNPGRFHEI-XSAZBNQGSA-N 420.473 0.941 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CNC(=O)C1 1847942421 NUWGSMWCUIILBX-UGUYLWEFSA-N 420.510 0.794 30 20 HCED COCCN(CCOC)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 36784242 IJLVIEUHOVMMKG-UHFFFAOYSA-N 412.512 0.691 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(Cc2ccc(C)o2)C2CC2)c1=O 97494001 AFKRYUXSQMXPTB-UHFFFAOYSA-N 400.435 0.636 30 20 HCED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1 429480756 KWSAOVIXYWLKNZ-UHFFFAOYSA-N 418.431 0.702 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441001177 CMZDIYSDJGTYDG-CQSZACIVSA-N 414.384 0.667 30 20 HCED COCCNCCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442185769 RVKDHEGODJDJCS-UHFFFAOYSA-N 404.858 1.078 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 443354916 GWTSFWYATPEFJA-GREKMHCPSA-N 416.415 0.552 30 20 HCED C=CCc1cc(CNS(=O)(=O)CCNS(=O)(=O)CC)cc(OC)c1OC 447199260 KPECFCJHZJOBJW-UHFFFAOYSA-N 406.526 0.791 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 463364345 GFWWTSULROXJEI-UKAVVXHISA-N 422.485 0.755 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C2 466395347 IXMNPWRWQWUTDQ-UHFFFAOYSA-N 411.466 0.982 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C3CC3)c2=O)nc1 474345630 BYLKZOWGONCZGJ-INIZCTEOSA-N 410.499 0.746 30 20 HCED C[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCN1S(C)(=O)=O 475808787 DLVQALGXDMROCN-YOEHRIQHSA-N 404.492 0.542 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1 478987097 IKIVFBYCMHXJBT-IBGZPJMESA-N 421.519 0.423 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OC 481582041 YFDMCUDBWDUMLU-GFCCVEGCSA-N 410.445 0.220 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OC 481745272 BWJNLOPIOYEECE-HNNXBMFYSA-N 413.496 0.674 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482177604 GTVZQYQGLCNLRB-WFASDCNBSA-N 402.480 0.504 30 20 HCED CNC(=O)Cn1nc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C 487224698 AXERJFVLCDRJRQ-MRXNPFEDSA-N 409.450 0.732 30 20 HCED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 490793354 BHOCHKDRSYKGMI-UHFFFAOYSA-N 423.477 0.853 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 492209006 QXVOIVOEJDCGII-UHFFFAOYSA-N 409.464 0.136 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)cc(OC)c2C)CC1 505649651 RJYOAHYZKBFSRM-UHFFFAOYSA-N 404.467 0.397 30 20 HCED Cc1ccc(Cn2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2=O)cc1 508374292 AYCFFWLZQHTRPY-UHFFFAOYSA-N 405.418 0.423 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508922036 OHLFRZUHQINUOC-UHFFFAOYSA-N 406.487 0.498 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@H](CC)C2)cc1 509772037 OGTJOZDLWDQCDL-XJKSGUPXSA-N 407.492 0.965 30 20 HCED CCOCCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518094268 HNBRYUKIURXOFM-UHFFFAOYSA-N 408.524 0.750 30 20 HCED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 518669807 LXANABIZWZFBBK-NSHDSACASA-N 413.415 0.755 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 521289764 MYRADNHPLXCZNE-MRXNPFEDSA-N 422.507 0.506 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1=O 522983668 WHNVTTUTAQALNJ-GFCCVEGCSA-N 423.223 0.069 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)C1=O 523378600 BKEJUUIFYGURCT-ZDUSSCGKSA-N 424.417 0.998 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 532011971 REJKIWRSNGGMNJ-UHFFFAOYSA-N 422.869 0.217 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](CO)Cc1ccco1 545893426 OIEAZRBPNRXGEY-HNNXBMFYSA-N 408.418 0.946 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1C 547963068 ZOKKWNPASSRBRO-HNNXBMFYSA-N 411.483 0.121 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NCCn3cnc(C#N)n3)c2)C1=O 554167329 HCSUHYUZUYFFDU-FQEVSTJZSA-N 422.449 0.874 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 559560074 BTFIWLYTSHASRI-PKOBYXMFSA-N 401.511 0.547 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 565515321 KWTFUZFECBCKMT-UHFFFAOYSA-N 424.935 0.385 30 20 HCED COCCOc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 567653093 HVQCFXMXRJQORX-UHFFFAOYSA-N 404.448 0.573 30 20 HCED CSc1nc(O)c(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1C#N 577734520 YVPVFUVKPYSJTK-GFCCVEGCSA-N 413.525 0.771 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CC1 588107327 NOAOZKKWTDXDER-AWEZNQCLSA-N 417.466 0.242 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)CC1 588128771 JVYBHZJEBSBGMJ-LJQANCHMSA-N 411.506 0.902 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)c1=O 603723986 BZHXZAUHULLKBF-UHFFFAOYSA-N 412.450 0.867 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCc1cccnc1 609038410 CNPUOGAJXFJJDQ-UHFFFAOYSA-N 408.458 0.936 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 609549671 GNYRNLJTYDVTKQ-INIZCTEOSA-N 403.458 0.815 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 610083054 CCMVVXQKUHLJBY-GFCCVEGCSA-N 403.478 0.846 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610586185 SGKDYYIJVXRQFQ-SFHVURJKSA-N 402.499 0.257 30 20 HCED COC[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610605212 QLXCAEPDSYMNNW-KRWDZBQOSA-N 406.508 0.502 30 20 HCED CCC(=O)N1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCCN1C(=O)CC 680339158 DETMEJPTKNEOEY-HDICACEKSA-N 418.538 0.804 30 20 HCED C=CCN(CC(=O)OCC)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727092401 YMWRREHLQGWAJP-UHFFFAOYSA-N 412.244 0.470 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 728533452 JJUPGPNDDKDSMC-IBGZPJMESA-N 408.502 0.422 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 732559435 AGZWGUFKSZXDAA-CYBMUJFWSA-N 403.382 0.491 30 20 HCED COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1-n1cnnn1 741636193 VMMVEAKGAWOYCL-UHFFFAOYSA-N 413.419 0.348 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CCOC 742143199 FYWWTYGHRMJVMF-UHFFFAOYSA-N 424.482 0.242 30 20 HCED CCN(CCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743994794 IDYFMFFOZMGCCM-CAPFRKAQSA-N 410.496 0.669 30 20 HCED C#CCOc1ccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 745215427 VBJFUEWKSSRHBW-UHFFFAOYSA-N 416.455 0.862 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cn(CC(N)=O)nn1 745469033 RSZOWAMSERDEPD-NSHDSACASA-N 402.436 0.953 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)ccc1F 749511932 OBEULRBRLACGGJ-CYBMUJFWSA-N 419.500 0.444 30 20 HCED Cn1c(=O)c2nc(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[nH]c2n(C)c1=O 751604865 LHJDMEXXEBVTCX-SFHVURJKSA-N 405.411 0.265 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(Nc3cccc(S(N)(=O)=O)c3C#N)CC2)cn1 755001973 NKJBZERUFBQDQP-UHFFFAOYSA-N 424.508 0.204 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 755212583 QGNNMPXUBSCOOS-UHFFFAOYSA-N 402.270 0.972 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C)cn2)c1=O 758079468 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424.413 0.554 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)[nH]3)C2=O)cc1 786093288 UUDHEDLXQDKSHI-LJQANCHMSA-N 411.374 0.550 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787602405 FJYGHXDJZUGNJE-LBPRGKRZSA-N 422.463 0.417 30 20 HCED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787645089 SPRIBHVAOWFQLU-QWHCGFSZSA-N 409.464 0.453 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)n1 789787879 NHONYBXMPDWSFN-UHFFFAOYSA-N 408.422 0.106 30 20 HCED C[C@@H](C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)n1cnc(C#N)n1 798745520 SJOJEJAEYZFYCQ-VIFPVBQESA-N 411.827 0.950 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 799027042 ASULEHCWNKBGRT-OAHLLOKOSA-N 404.492 0.751 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 800649333 OHUFSTNBSBILKF-KRWDZBQOSA-N 405.520 0.783 30 20 HCED COCc1ncc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1 803903472 NYUKIRQPEZUXBY-UHFFFAOYSA-N 405.436 0.963 30 20 HCED 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C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1831418900 HWZFFHOZLRYEOH-LVCYWYKZSA-N 410.511 0.993 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1831421303 HMVPZHBPPRVQJO-YWZLYKJASA-N 422.482 0.090 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1831421856 UCAIPBRFTHDZPB-QRWLVFNGSA-N 420.466 0.146 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1831437737 HHNXKFHYURDTMY-OXQOHEQNSA-N 406.483 0.390 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831465116 AQUFRQNHVJZGKX-HNAYVOBHSA-N 415.556 0.312 30 20 HCED Cc1nn2cc(CC(=O)N3CCO[C@]4(COCCN(C(=O)CC#N)C4)C3)nc2s1 1832106331 XSBDTSDNXNXTBA-SFHVURJKSA-N 418.479 0.012 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1832460608 BSSYWOZJYWPVGZ-SFHVURJKSA-N 412.508 0.315 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)nn1C 1834117174 RRIGZFXKTBIWHN-QHCPKHFHSA-N 422.485 0.850 30 20 HCED 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C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1840842046 JVUSKOZXCRCTIC-OAQYLSRUSA-N 415.446 0.352 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](O)c2ccc(OC)cc2)C1 1841181875 QQXUKBQYSWEKIG-GDCKJWNLSA-N 413.474 0.790 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1843407530 MALWSBBLLSEKOR-XQQFMLRXSA-N 409.512 0.793 30 20 HCED O=C(COC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259379 JFLWOLGDCBLUQQ-ZVBGSRNCSA-N 404.389 0.767 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1845252668 NGDFPUANDOWRGI-LBPRGKRZSA-N 401.427 0.036 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CCN1CCOC1=O)C2 1846978967 GPISNYFGVVHTCM-UHFFFAOYSA-N 412.446 0.983 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1846982554 XZMDRJFGPONNNV-UHFFFAOYSA-N 422.441 0.456 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847088942 CZTWRIQLMGOSKL-AWEZNQCLSA-N 406.483 0.372 30 20 HCED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 8531205 NRBIXBJZWVXQJY-OAHLLOKOSA-N 409.508 0.860 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 15692774 VBVWQMSAHLQJTK-LBPRGKRZSA-N 400.428 0.694 30 20 HCED CC[C@H](C)N/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305769649 MXLDVJLQNYAVLT-LBPRGKRZSA-N 406.530 0.494 30 20 HCED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 429860445 PELOROIUIDQBDX-UHFFFAOYSA-N 423.477 0.901 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(c3nc(C)no3)C2)cc1 434566243 PCFDZRBSHKNUCS-UHFFFAOYSA-N 419.463 0.749 30 20 HCED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 435024721 FXWYAMLKSCMNEP-QGZVFWFLSA-N 404.448 0.908 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)nn1CCC#N 440105182 LOIZLBNZDGGXCB-NVXWUHKLSA-N 408.462 1.350 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N2CCCC2)cc1 440169373 JNLYAUYBJCDBMY-AWEZNQCLSA-N 422.507 0.559 30 20 HCED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(=O)Nc1ccn(CCC#N)n1 442499159 YCYYNHMKDNKNCT-NRFANRHFSA-N 410.478 0.831 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 446967480 VDVLQRPWQJIIIO-UHFFFAOYSA-N 405.436 0.416 30 20 HCED Cc1c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cnn1-c1ccccn1 462283411 IJTVEOFBPPXOLE-UHFFFAOYSA-N 404.496 0.812 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(CC(N)=O)cc1 465419025 ABBCTMDCTKPMTQ-CYBMUJFWSA-N 407.434 0.052 30 20 HCED C[C@@H](O)C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468668372 RTACOFYAZGIIRK-QAPCUYQASA-N 421.519 0.957 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](CO)O1 470924805 AJDYIQCQZKDSNY-RISCZKNCSA-N 403.826 0.944 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)c1 472039061 UQNONKRBMBPNJM-OAHLLOKOSA-N 409.508 0.860 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ncc(Cl)cc2Cl)C1=O 475125191 OXBOWLYUMRNSNM-UHFFFAOYSA-N 401.206 0.860 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C#N)cn1CCOC 481442740 WJWMXAZAZXPREG-CYBMUJFWSA-N 404.427 0.424 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(C#N)cs2)c1=O 481979716 ISDRXCNFGTYQSJ-UHFFFAOYSA-N 416.553 0.941 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 484675681 FBORDQGGPLVERZ-LJQANCHMSA-N 403.479 0.632 30 20 HCED CN1C(=O)C[C@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)[C@H]1c1ccnn1C 489060903 FIQDRQANJPVLNZ-GPYTYOPGSA-N 418.457 0.812 30 20 HCED Cc1nc([C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)no1 501661041 BGWQRYZXGFNVOQ-OAHLLOKOSA-N 405.436 0.470 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 504436555 YONHMJYLXBTSMI-SQNIBIBYSA-N 413.478 0.989 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(I)ccc1Cl 508972504 YBCCFNMPUOBELV-UHFFFAOYSA-N 420.594 0.639 30 20 HCED N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 517196406 SSSALTTWJXHULG-KRWDZBQOSA-N 412.471 0.731 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(C#N)c2)s1 531289594 AVRIOTVMTBSDQG-UHFFFAOYSA-N 406.489 0.851 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 532217918 CTZRPRHHUJKWEP-NWANDNLSSA-N 413.521 0.697 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 537487651 KPJKQBRZKSRRJZ-KRWDZBQOSA-N 415.494 0.210 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 538136501 LUTIPVRBOZZGGK-UHFFFAOYSA-N 406.464 0.307 30 20 HCED Cn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CC2 540549522 OLHCFFFVEOBOQC-QGZVFWFLSA-N 412.519 0.609 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(N4CCNC(=O)C4)cc3)no2)C1=O 546342933 LXLUJNFBECXWMH-UHFFFAOYSA-N 410.390 0.150 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 558262073 WUPSTUBULZJSIZ-JXIYXGQPSA-N 418.519 0.988 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)C1=O 560922001 QCNLRIZPOTZWGT-AEFFLSMTSA-N 414.506 0.883 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)C1=O 563575346 MGKRQYKCEQYKBD-CYBMUJFWSA-N 424.404 0.613 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)n1 572687367 ZAMYALGFHIJDJE-DZGCQCFKSA-N 407.434 0.595 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)C2=O)cc1 580851708 IRHGNVPEQKINNO-WBVHZDCISA-N 406.446 0.567 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 584282351 AQPRFGWDPUXMCA-UHFFFAOYSA-N 407.452 0.349 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN3CCC[C@H]3C2)CC1 585725222 KFCCGZFIVRORJV-HOTGVXAUSA-N 412.494 0.815 30 20 HCED Cc1nsc(N2CCN(C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)c1C#N 589326503 LHIAJXBTFHVBNT-UHFFFAOYSA-N 402.484 0.962 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@@H]3c3ccccc3C)CC2)o1 612747476 PETAWCVNNKUDIH-FQEVSTJZSA-N 422.489 0.985 30 20 HCED C=CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 669813949 ACSRQKVDXHITST-UHFFFAOYSA-N 407.482 0.585 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732490243 APVNIHZJEMLJEC-QGZVFWFLSA-N 423.491 0.242 30 20 HCED Cn1c(=O)c2cc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)n(C)c2n(C)c1=O 744850582 ODHWMMSOVOWNMZ-UHFFFAOYSA-N 420.385 0.854 30 20 HCED C[C@@H](OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)N(C)CCC#N 745387826 RWPDKCDPSAFEHL-DOMZBBRYSA-N 414.418 0.220 30 20 HCED COC(=O)C(C(=O)CSc1nnc(CCC(N)=O)n1C)=C1Nc2ccccc2N1 746242163 ZZMHGJLTNUHVOG-UHFFFAOYSA-N 416.463 0.816 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCCN2C(=O)CCC2=O)c1 749505546 VZXJMOLMFLJXAO-UHFFFAOYSA-N 411.458 0.789 30 20 HCED CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 749653643 CVWOOJJLURAYTB-LSDHHAIUSA-N 414.528 0.467 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCS(=O)(=O)CC3CC3)C2=O)cc1 753181452 RHWZEWGSKIVNDY-KRWDZBQOSA-N 404.492 0.783 30 20 HCED COCCN(C(=O)CON=C(N)c1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 754277600 MAAWFNICMIZHGU-AWEZNQCLSA-N 401.460 0.433 30 20 HCED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O 755705217 GNOKTASUQNJZIJ-FQEVSTJZSA-N 408.466 0.624 30 20 HCED C[C@H](CC(=O)NCC1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 756357299 BTTDSBKMYIPLKR-GFCCVEGCSA-N 413.521 0.445 30 20 HCED C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCS1(=O)=O 759140388 DRQRTAQRLPLHJD-HZSPNIEDSA-N 400.501 0.964 30 20 HCED C#CCCN(CC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 767152439 RIYUJVFTBHFWQH-UHFFFAOYSA-N 417.409 0.835 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)N(CCC(N)=O)c2ccccc2OC)CC1 772109706 HDXUSBFVQDIKIR-UHFFFAOYSA-N 401.463 0.792 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cnn(C)c2)c1=O 772311477 MZDOIMQJLRDHTL-UHFFFAOYSA-N 410.405 0.941 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)[C@@H]1CCCO1 773793049 QQRLUXWMDSGIII-WBVHZDCISA-N 419.503 0.980 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 782998680 IWEHCIVEFPDEQP-UHFFFAOYSA-N 410.540 0.717 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 783475948 SKMDMJODBNWDDF-YJBOKZPZSA-N 419.503 0.499 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCCS2(=O)=O)ccc1F 784118044 LTSXXCLOESFYQI-CYBMUJFWSA-N 404.485 0.987 30 20 HCED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 784545140 OIEHDILEPZQXCS-UHFFFAOYSA-N 411.480 0.370 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCOC2)cc1 785151000 LDYWUMJHGCOQKY-KTNMXJNISA-N 422.507 0.981 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1 787780257 ZWOKQFPHEOAAFR-ZWKOTPCHSA-N 414.510 0.365 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 789329903 TYKPEFFQYLJCHB-UHFFFAOYSA-N 403.508 0.345 30 20 HCED C[C@H](CC(=O)N1CC[C@H](CS(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 794912412 SYLMMQPYHSUFOX-OLZOCXBDSA-N 413.521 0.397 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 804011840 AIERQKKTSGSYIH-OAHLLOKOSA-N 417.441 0.693 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1 807298868 HPTUSXKKQPJXEZ-HNNXBMFYSA-N 407.492 0.767 30 20 HCED Cn1c(N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c(=O)n(C)c1=O 808121196 CALYKAKLGLMSHT-CQSZACIVSA-N 418.498 0.087 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCC3)c2=O)cn1 814254606 ZUPWLMQUCVKQNP-UHFFFAOYSA-N 413.503 0.259 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(O)C1=O 820483026 WPDAAXHLCBFLAP-KGLIPLIRSA-N 408.480 0.636 30 20 HCED C=CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(C)c2)c1=O 837284204 FGSGDLISELENLK-UHFFFAOYSA-N 407.503 0.699 30 20 HCED CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 915785244 WQNHVLGPZXPXMU-UHFFFAOYSA-N 423.462 0.818 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(=O)nc2O)c1 917689348 AFIHKNAFNIKEBV-ZHZULCJRSA-N 405.436 0.551 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N(C)C 918271235 VHRJMJNMEBTSLS-JEEMYIIMSA-N 409.512 0.504 30 20 HCED COc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnc1Br 1122416347 XFRQQRXMRXXIEV-SNVBAGLBSA-N 416.253 0.432 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1446598613 RJORAASYYDLSJN-CXAGYDPISA-N 420.491 0.121 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1546577923 NVJDNWSUAVVIFN-CQSZACIVSA-N 417.420 0.913 30 20 HCED COC(=O)NC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1557656587 NKSKGOHCYPPIRG-LBPRGKRZSA-N 408.480 0.851 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@@H](O)c3ccnn3C)CC2)CC1 1620444630 IUXDSUPXKVDTEP-PZJWPPBQSA-N 402.543 0.858 30 20 HCED CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cn1C 1622469676 NJFTYIHEBRUOQP-UHFFFAOYSA-N 405.455 0.906 30 20 HCED N#CCc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1630587114 QDCSDOQHCMYQNL-HNNXBMFYSA-N 411.505 0.027 30 20 HCED CSc1nc(O)c(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1C#N 1636704354 OIKVETJFYUPKGK-HNNXBMFYSA-N 405.524 0.907 30 20 HCED COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H](O)C(F)(F)F 1643616950 OHPIEZBSPKDHFJ-AWEZNQCLSA-N 419.404 0.375 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1662629741 OVTQORKGONUMPZ-CYBMUJFWSA-N 418.313 0.634 30 20 HCED CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1674258432 NWVYZECTIGNFRP-UHFFFAOYSA-N 403.468 0.386 30 20 HCED CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1728364449 OHRAJIQQSQEVRZ-RBSFLKMASA-N 413.548 0.347 30 20 HCED CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1766866129 URKQRINVOAFUEQ-HNNXBMFYSA-N 408.528 0.789 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)N1C[C@H]2C[C@@H]2C1 1779018797 IGXVQWJIPCHGOQ-QKIMKLBTSA-N 417.554 0.628 30 20 HCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021023 ZMOOWMDIFADSKZ-MXMCTPPNSA-N 412.556 0.402 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779092615 RZUSEKJMSPHCMJ-SLYNCCJLSA-N 407.511 0.235 30 20 HCED CCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)COC1 1779107607 UUTMPGGQLDTVHG-UMQMUVBQSA-N 409.483 0.772 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1779713838 HHHMATIDLBCWOI-NGXITPROSA-N 415.494 0.513 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780425171 FJXWAEJZGXGZSU-MGPUTAFESA-N 404.467 0.910 30 20 HCED CNCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781174630 QZTRDKLOHMTLMC-JOCHJYFZSA-N 414.506 0.939 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1781853292 MYEIXEVESSCEIK-OXQOHEQNSA-N 407.467 0.073 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1782196602 VQSYUQPCECDXDP-DNVCBOLYSA-N 422.507 0.542 30 20 HCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782423418 ZTAPLRRNXIFMOV-SFHVURJKSA-N 401.448 0.483 30 20 HCED C=C(C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)C(F)(F)F 1783207154 ABPWGPHBANRXFT-HNNXBMFYSA-N 402.377 0.268 30 20 HCED CCn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c2ccccc21 1783562721 PEBDQEWQRZRRCG-OAQYLSRUSA-N 410.430 0.588 30 20 HCED C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)NC(=O)OC(C)(C)C 1783563246 ZEIJTVUVFOLYCJ-JLTOFOAXSA-N 423.466 0.208 30 20 HCED O=C1CCCCN1CC(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783756495 NSCRYMAFWZUZOW-MHRHTVJOSA-N 416.478 0.541 30 20 HCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1783903246 JQVZBKFIRYIGMY-OAHLLOKOSA-N 408.348 0.975 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCCN3C)[C@H]2C1 1784115042 HHQBHLKSXKOEGN-YSMJTFFMSA-N 418.538 0.309 30 20 HCED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](S)C(C)C)C[C@@H]21 1784446648 ZRGZCXDZAPJUNK-RZLSGREXSA-N 406.570 0.355 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1)n1cncn1 1784474052 VZCYVHVNCMXYMV-AULOSNNLSA-N 420.470 0.198 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)N4CCN(C)CC4)[C@H]3C2)C1 1789795237 SRSKAQRHBYOSTL-UMGGQSCQSA-N 404.555 0.568 30 20 HCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)N4)C[C@@H]32)cc1 1790141619 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C=CCOC[C@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)OC 429912279 WCKBHLGPNKZBFJ-NSHDSACASA-N 400.409 0.049 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 437035978 LIPUXHBIVMYJLJ-RDJZCZTQSA-N 418.498 0.717 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cn1 438723517 OOSKOAGWMRMWFZ-INIZCTEOSA-N 403.402 0.290 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1=O 440249450 YZXRSVQOLWVSPQ-HNNXBMFYSA-N 422.507 0.429 30 20 HCED Cc1cccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1C#N 443079781 RFBBBRROBWADSD-CQSZACIVSA-N 401.510 0.634 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 443750436 RIDCMNKCKIKBNE-GFCCVEGCSA-N 404.466 0.872 30 20 HCED CN(CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 444522213 DZKGYKKGGYKRKO-HNNXBMFYSA-N 410.927 0.979 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 446534025 XVFBGCXHDUHXHP-UHFFFAOYSA-N 417.491 0.744 30 20 HCED CCc1nc2n(n1)CCC[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 446554352 GYFGLULSQWRHSX-HNNXBMFYSA-N 402.480 0.984 30 20 HCED C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465118000 CWPPUHKQXXIFON-STQMWFEESA-N 420.520 0.814 30 20 HCED Cc1oc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(=O)(=O)N(C)C 465119548 HUGBQBVKGVANOP-LBPRGKRZSA-N 418.479 0.851 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nc([C@H](C)OCC(C)C)no2)C1=O 465193320 FTCAVHKMUQERLW-LBPRGKRZSA-N 407.427 0.738 30 20 HCED CNC(=O)[C@@H](C)CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 478023931 AJKPWVBZYYLUQN-AWEZNQCLSA-N 414.466 0.769 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CC1 478844584 SLWIUDQHHHRGKV-ZDUSSCGKSA-N 415.519 0.676 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CN(C)S(C)(=O)=O)c(C#N)c2N)cc1 479617011 KRSZMNNRXLFPBD-UHFFFAOYSA-N 404.496 0.575 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C)CC2)cc1 480971894 PHUGNDSPGRXXED-CQSZACIVSA-N 407.496 0.658 30 20 HCED Cc1cn(-c2cccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)c2)c(O)n1 483502884 TZQYBOFOWQULJM-UHFFFAOYSA-N 408.422 0.751 30 20 HCED COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c[nH]1 486619725 IRDYZYOPRKYXCM-OAHLLOKOSA-N 402.432 0.752 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 487525851 WDHBHEHPUWPZLU-KEYYUXOJSA-N 404.492 0.876 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cscn2)c1=O 497573520 VWOMUTOFWQEBDW-ZDUSSCGKSA-N 402.501 0.351 30 20 HCED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500799284 KBIIEHIIMIKPKD-MAUKXSAKSA-N 407.492 0.979 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 502305608 UDZQOVWSVDPJCS-OKZBNKHCSA-N 414.462 0.480 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)c1 503885765 PJFKZKHYXITHBL-GOEBONIOSA-N 424.475 0.718 30 20 HCED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508834118 SAQWVPFDAQUFOU-UHFFFAOYSA-N 421.505 0.984 30 20 HCED N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccnc2)CCN1Cc1ccccc1 511807794 NASCZCJVNSNUEY-SFHVURJKSA-N 413.503 0.987 30 20 HCED N#C[C@@H]1CN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)C[C@@]12C(=O)Nc1ccccc12 513656142 YFRMIVGXOOXOEO-WSVYEEACSA-N 420.429 0.394 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 523581148 KWSXWHBGWMAMSE-HNNXBMFYSA-N 413.482 0.884 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2occc2C)c1=O 525263417 MZEGJTCVGPXURQ-UHFFFAOYSA-N 417.487 0.210 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C1CC1 530318073 HCZAOKZRQLBUDW-UHFFFAOYSA-N 409.446 0.819 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 532151101 JHYSRHNAMGERBO-UHFFFAOYSA-N 404.814 0.748 30 20 HCED CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 538350057 CSPJPISXUVUFAS-GJZGRUSLSA-N 411.553 0.080 30 20 HCED COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(O)c1 540510270 YAJVTSMGYQANOB-YVEFUNNKSA-N 417.443 0.961 30 20 HCED COc1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1OC 555955765 ILLJCEKVKRJSDG-UHFFFAOYSA-N 409.446 0.935 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Oc3cccnc3)nc2)CC1 560020928 SUDNMEILZUKSOP-UHFFFAOYSA-N 424.461 0.654 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 561373417 CUAONYIQPWNNBG-SUMWQHHRSA-N 418.519 0.988 30 20 HCED COC(=O)c1c(F)ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1F 561405100 WZYZIWCCNGXQIM-UHFFFAOYSA-N 406.349 0.616 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 564593850 TVAYERFZYNJPDV-LLVKDONJSA-N 415.269 0.409 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)CC1 572553236 VHPURXCCNLIIJQ-UHFFFAOYSA-N 410.522 0.936 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)CC2)c1 572682064 URSNNKMRCFAHMG-JXFKEZNVSA-N 415.519 0.773 30 20 HCED COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)o2)cc1 573997532 WWNPMQOWRMZCLN-UHFFFAOYSA-N 413.433 0.793 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2cccs2)c1 577250590 WIKFQEOVTNUKGL-UHFFFAOYSA-N 406.489 0.834 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(C#N)c1 587674078 LISUUUVVUAQUEW-YOEHRIQHSA-N 408.462 0.776 30 20 HCED CCOC(=O)c1sc([C@@H](C)NC(=O)C(=O)NC2CCN(CC#N)CC2)nc1C 588125564 FQTYRAFHIPYOKO-GFCCVEGCSA-N 407.496 0.910 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 589158387 KKYWGOTZOINWJS-SNVBAGLBSA-N 405.426 0.792 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)CC1 589159751 PYIZXEUOSITPSP-DZGCQCFKSA-N 401.467 0.740 30 20 HCED Cn1c(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 589785190 QEKVWMYVUWQKPY-UHFFFAOYSA-N 423.882 0.120 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 610125106 ABIVKYOGBPSTLQ-AWEZNQCLSA-N 411.505 0.918 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o[nH]1 613206344 QOVAOZGEUBGQIN-UHFFFAOYSA-N 421.439 0.127 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(Cc2ccccn2)c1 615050447 QFOVCPTUZXTUTD-UHFFFAOYSA-N 411.466 0.339 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 615311806 SNPCUOJOMIAFTH-MRXNPFEDSA-N 422.493 0.362 30 20 HCED CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726400814 MDHHVKHZOBHTRY-MFKMUULPSA-N 405.480 0.378 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 731861906 SEUCBKFIDMLWPA-ZPHPHTNESA-N 418.475 0.631 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732467280 TUFVNSRERAWHPL-HNENSFHCSA-N 420.514 0.099 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCOC)c2=O)cn1 732561596 QTQONPSLEQQTCM-UHFFFAOYSA-N 424.486 0.309 30 20 HCED CNS(=O)(=O)c1cc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)ccc1OC 734565258 NHONVFWWEISBES-INIZCTEOSA-N 403.416 0.858 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(O)CCC2)c1 737251358 ICOJEBNRBSCIDZ-RCCKNPSSSA-N 408.480 0.469 30 20 HCED CCOC(=O)Cc1nnc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)s1 752454171 VNPCNKBSJOXXJV-UHFFFAOYSA-N 423.476 0.711 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1CCC#N 755549853 ICKLOIHXLQSRMB-KBPBESRZSA-N 415.454 0.919 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c(C#N)c1C 756748212 JDPMDCLVMUMOBE-SNVBAGLBSA-N 409.424 0.350 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758642119 ODZOUVQDGSSFPD-MJBXVCDLSA-N 416.500 0.607 30 20 HCED CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 758775035 IWRBLMZLIWSJCM-BFHYXJOUSA-N 400.501 0.964 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)C 763434000 HPPAYJUCYALYBP-CQSZACIVSA-N 402.520 0.558 30 20 HCED CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 767634637 FIOLWCJWMIQGOY-YOEHRIQHSA-N 423.491 0.652 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1nnc(C2CC2)o1 767678447 COSPZWNROIJNQA-JTQLQIEISA-N 419.419 0.667 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H](C)C1CCN(C(=O)OC)CC1)c1cc[nH]n1 772587181 HAHIZNYOMJEWCY-LBPRGKRZSA-N 409.443 0.677 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 773018406 MCSOFFOSFGHDFI-UHFFFAOYSA-N 408.260 0.823 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 777995399 OPHKQHBLJIXKBL-BUHFOSPRSA-N 420.369 0.827 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 780062182 LEOXUMOSZNNROE-ZDUSSCGKSA-N 408.480 0.798 30 20 HCED CCOc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2nnn(C)n2)cc1 782931652 RVZAMIOLLLATPZ-ZDUSSCGKSA-N 403.468 0.877 30 20 HCED C=CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(C)C 783396070 GTFKBEOYVWPFII-UHFFFAOYSA-N 408.480 0.169 30 20 HCED C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)NC1(C#N)CCC1 787649152 ARPZCXXLAIOUFY-QRTARXTBSA-N 417.437 0.824 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cc[nH]n1 787742112 TUGOVVKOFOKKMI-VOJFVSQTSA-N 418.406 0.661 30 20 HCED CN1CCC(N2CCC(NC(=O)C(=O)NCCNc3ncccc3C#N)CC2)CC1 787757719 WDEHUVUZBCWNIX-UHFFFAOYSA-N 413.526 0.156 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CCO[C@H]1C 790254546 FGVAYCHKQONCKK-ZUEVXXBESA-N 409.508 0.940 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(OCC3CC3)cc2)c1=O 790426705 ZBEMTVJDHYBSQW-UHFFFAOYSA-N 408.483 0.813 30 20 HCED C#C[C@@H](CCC)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 791740403 CJEAWUSIGAREIM-HOCLYGCPSA-N 400.522 0.686 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 799283521 IRDTVZZZIZGSGW-GFCCVEGCSA-N 406.240 0.859 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800847692 BLWWYJJFBUHRMP-UHFFFAOYSA-N 401.444 0.915 30 20 HCED CCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)nc2)CC1)[C@H]1CCS(=O)(=O)C1 801553037 GJLRMSZEUYGLJW-YJBOKZPZSA-N 405.524 0.499 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(F)c1 802558375 OMLIMCLYDWHSLS-MEBBXXQBSA-N 401.373 0.928 30 20 HCED CN(C)c1c(C=NNc2nc(-c3ccccn3)nc3c2CCC3)c(=O)n(C)c(=O)n1C 807974228 YKBFYUHZMLZAOI-UHFFFAOYSA-N 420.477 0.937 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)cc1 915642682 OEHOUTTZJGSIMZ-UHFFFAOYSA-N 413.521 0.142 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 916889152 JVROQUKHLBZJGD-CKEIUWERSA-N 423.491 0.570 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N(C)C 918271232 VHRJMJNMEBTSLS-IQQDNESTSA-N 409.512 0.504 30 20 HCED Cc1c(C#N)cccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1116930092 MEYWDFHCMXOGIH-OAHLLOKOSA-N 411.505 0.141 30 20 HCED COC[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1134213945 MLHKNSSLGKOABR-QGZVFWFLSA-N 407.492 0.833 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccsc3S(N)(=O)=O)C2=O)cc1 1139811335 KDLVDRYYMSHAFF-AWEZNQCLSA-N 404.473 0.798 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)N(C)C 1288862100 HFUMRNMVOBFFHI-DZKIICNBSA-N 424.575 0.015 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(CCN1CCOCC1)CC1CC1 1301345709 QFECYRNIAWTNRA-UHFFFAOYSA-N 420.535 0.686 30 20 HCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)no1 1304223003 YRMZBBQYWAEECX-DOMZBBRYSA-N 423.499 0.694 30 20 HCED CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1305108959 XPTZJBUMNHKCKW-IRXDYDNUSA-N 422.555 0.641 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CC2)nnc1N1CCO[C@H](C#N)C1 1314628732 KJFVDKZERLSZRY-SJORKVTESA-N 401.515 0.827 30 20 HCED Cc1cc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 1320779768 YHAKXAAHOVEYBT-AWEZNQCLSA-N 402.432 0.513 30 20 HCED N#CCC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 1343490349 KTQQIPCUBKPPQV-ZDUSSCGKSA-N 413.883 0.898 30 20 HCED Cn1cnc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc21 1464037465 QZOZVQHEQKQMOQ-UHFFFAOYSA-N 410.459 0.987 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 1466865230 LSIMZAZYIFSZKA-KRWDZBQOSA-N 414.491 0.783 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1503119223 RZZURHOEFRRLOM-MRXNPFEDSA-N 417.466 0.971 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCO2)C1 1519564877 XOHDHJNEPCGTRL-CVEARBPZSA-N 424.527 0.530 30 20 HCED N#Cc1cn(CCC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c(=O)nc1O 1543565995 PPGHRNGMXWGOIW-UHFFFAOYSA-N 413.409 0.771 30 20 HCED CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1547238166 ZSTIXLQVOJANSC-KRWDZBQOSA-N 422.493 0.947 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1555557560 UYFNSCSURCXPHS-GJZGRUSLSA-N 424.527 0.420 30 20 HCED N#Cc1c[nH]c(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1=O 1559428523 LELISSWOYAJIQI-UHFFFAOYSA-N 423.351 0.902 30 20 HCED C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)s1 1585884459 NDFCQDVMCPFDJV-AOOOYVTPSA-N 402.929 0.884 30 20 HCED Cn1cc([C@@H]2C[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1 1625108478 PCRHUJWFYYDXGT-WBVHZDCISA-N 403.464 0.607 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1638203235 LAUNZNRWKFAIGW-TUUVXOQKSA-N 408.499 0.917 30 20 HCED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1662629742 OVTQORKGONUMPZ-ZDUSSCGKSA-N 418.313 0.634 30 20 HCED 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C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(C)c3)C2)C1 1831391192 JWCMUVOBYZUUAN-UWJYYQICSA-N 401.463 0.498 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(CC)noc3C)C2)C1 1831396071 HORRCEXCZHUDGF-IERDGZPVSA-N 419.478 0.654 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831512084 AQMGHQNVNRBUIU-BLRFDQBMSA-N 421.494 0.562 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832014077 WPHQKZHOZCQYMA-FIKGOQFSSA-N 408.495 0.998 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCCN(C)C3)CC2)CC1 1833467433 UDDLEUXNJAPFLS-RBUKOAKNSA-N 418.582 0.938 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833782735 MKVBTMLCBPHNRE-LIRRHRJNSA-N 424.885 0.791 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccco1)CCO2 1833924703 HFGFLVJSKWRKJC-CFFCXZSUSA-N 421.450 0.879 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1834398160 DHMZBVVFGGRIGL-UHFFFAOYSA-N 401.467 0.495 30 20 HCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1C 1834581828 RJDWHADFFBXDFF-IFXJQAMLSA-N 409.508 0.787 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CN4CCNC4=N)CC3)CC2)CCC1 1834706772 KGYQJXGBCMSKJH-UHFFFAOYSA-N 415.542 0.092 30 20 HCED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1834717383 SFHTWXUJGYKSCP-IBGZPJMESA-N 405.838 0.871 30 20 HCED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834978165 IWVYKMJHIDBSDR-QFIPXVFZSA-N 415.490 0.984 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc(O)n1 1835342109 KPPMYTLBHSCVMZ-FQEVSTJZSA-N 400.435 0.469 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411442 CEWIYLWLMRFBKT-PGRDOPGGSA-N 419.522 0.834 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051601 RNGANDRARRBIBY-GFCCVEGCSA-N 420.539 0.079 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cncnc4)CCO3)C2)c1 1836052606 FGNOVJNYCGCNQJ-OAQYLSRUSA-N 424.461 0.379 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837012475 QJXXCAROINYYNZ-FQEVSTJZSA-N 412.450 0.349 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837400406 DWXMXYPXMWLMLU-LAUBAEHRSA-N 416.478 0.529 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)o1 1837448140 AAUAFUHAHNULJD-FQEVSTJZSA-N 418.450 0.858 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837524928 JMWURHSIYYNBGQ-WCNTUGILSA-N 421.494 0.938 30 20 HCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1Cl 1838304422 MRAHAHRPRGMZBD-GOSISDBHSA-N 409.874 0.693 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1839807055 RYCMVKNDNMGHLW-NRFANRHFSA-N 400.431 0.438 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1840164186 BFPBQAUGGFRAAB-QRWLVFNGSA-N 418.519 0.811 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1840294033 JXZGBSHWJVARDN-HXUWFJFHSA-N 402.451 0.034 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1cncn1 1840417107 GRWVVZLTZDBNBN-AVRDEDQJSA-N 423.473 0.347 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840428129 BWECYJGLVDTQFY-OXQOHEQNSA-N 403.483 0.525 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnccc4F)C3)C2)CCC1 1840813639 LEMFOYQBMJNNNY-FQEVSTJZSA-N 402.426 0.985 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1840844645 GWCXSHUMJIIGSS-LAUBAEHRSA-N 401.463 0.719 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CCN3C(=O)C=CC3=O)C2)c1 1841756793 HJUJGMGFWGENQJ-UHFFFAOYSA-N 422.441 0.699 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c1Cl 1841892228 MBSIYWWMBQQDIK-UHFFFAOYSA-N 415.837 0.580 30 20 HCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350031 VMEBBVGQXAUMEK-HOTGVXAUSA-N 421.542 0.173 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1844894224 ZLXSAJXPWZMODR-UHFFFAOYSA-N 404.430 0.629 30 20 HCED COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1846212289 TZRRZKYWTCAYCA-AWEZNQCLSA-N 422.482 0.950 30 20 HCED C[C@H]1CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1 15544817 LTDOXGDTPSJGFV-HOTGVXAUSA-N 406.508 0.500 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 15821204 XALVOPKHGIRNQJ-CYBMUJFWSA-N 412.464 0.564 30 20 HCED C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25175944 VGXRTEAJBRJXST-ZDUSSCGKSA-N 416.511 0.459 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 42621859 ALXAXPJSYXIFFX-UHFFFAOYSA-N 411.422 0.380 30 20 HCED Cn1c(NCCNC(=O)c2cccc(Br)c2)c(C#N)c(=O)n(C)c1=O 301125960 OFLUANMZBMZOKS-UHFFFAOYSA-N 406.240 0.560 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 409564348 YROICLDDIMWICW-HDICACEKSA-N 401.577 0.584 30 20 HCED COc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 410149906 YBMDEIOATILSGS-SFHVURJKSA-N 422.507 0.493 30 20 HCED N#Cc1ncccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 428385240 XXEUETUYLLHBCP-INIZCTEOSA-N 400.460 0.702 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 432944297 MBYGUWNHXSDXCU-GFCCVEGCSA-N 416.253 0.373 30 20 HCED N#C[C@@H]1CN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 434469472 BSUQZOVYYPDDCL-FUHWJXTLSA-N 404.442 0.777 30 20 HCED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 436817039 QHHVQOXMZBMYBW-UHFFFAOYSA-N 403.460 0.903 30 20 HCED N#CC1(CS(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC1 439102088 ZWCVXOCIUSAUGS-UHFFFAOYSA-N 404.436 0.071 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(OC(F)F)c1 439536946 PBYJJKJLKBGBSE-UHFFFAOYSA-N 406.389 0.953 30 20 HCED CC#CCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 443541763 LQQPOQCWKAYOPD-UHFFFAOYSA-N 422.507 0.689 30 20 HCED CSCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C)c1=O 443548746 JSQTYZVZPWIOGQ-UHFFFAOYSA-N 405.549 0.282 30 20 HCED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 444513594 WQAUXAKKSZBAOE-UHFFFAOYSA-N 414.422 1.033 30 20 HCED CC[C@H](NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@H](O)C(F)(F)F 460721372 WKUDCFFIFBWTIW-AAEUAGOBSA-N 410.356 1.204 30 20 HCED Cc1ccc(C(=O)NCC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 464974947 BBILZWRKLQOUAE-UHFFFAOYSA-N 420.535 0.981 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2ccccc2C#N)CC1 469210489 XTVKQQYBYSZHBG-UHFFFAOYSA-N 421.523 0.041 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 470177128 PTXJEVDIYQXKAX-TZMCWYRMSA-N 414.422 0.671 30 20 HCED CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)CC1 476933769 OATXCJAZKNROID-UHFFFAOYSA-N 405.524 0.954 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccc(F)cc1 481159836 WFHAQPYIMCQXPW-ZDUSSCGKSA-N 418.450 0.910 30 20 HCED COC(=O)c1cn(C2CN(C(=O)[C@H]3CCCN(c4nc(C)ccc4C#N)C3)C2)nn1 500037950 NFFAHVBFPJMZOC-HNNXBMFYSA-N 409.450 0.940 30 20 HCED CN(C)C(=O)Cn1cc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1 501715033 PGBYCSFGGDISPJ-UHFFFAOYSA-N 409.450 0.729 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 503022962 FOOGLMVDWISMKD-UHFFFAOYSA-N 400.416 0.772 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 506674523 BGAGMWVMNKPDAP-MRXNPFEDSA-N 422.507 0.423 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506736758 HKPQAYJWEGHQDS-KGLIPLIRSA-N 408.480 0.730 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512751463 ZGUNQBPOCFOPBD-ZDUSSCGKSA-N 400.414 0.658 30 20 HCED CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@@H](C#N)C1 518401268 ZDKYJNLXPJBEEI-SFHVURJKSA-N 409.494 0.985 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1 519128346 OWHYMXWQWXCNIB-SUMWQHHRSA-N 418.519 0.988 30 20 HCED CCn1ncnc1CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 521496606 ZKEBWKBNBAKLGS-UHFFFAOYSA-N 418.461 0.683 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CC(N)=O 524412058 GGMHXJIXYISWOY-UHFFFAOYSA-N 423.416 0.931 30 20 HCED CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3C)c2=O)c1 525266056 GQARTTWEPOHFMH-UHFFFAOYSA-N 409.471 0.280 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1Cc1ccon1 531938622 FDTANYWLXZOQKT-UHFFFAOYSA-N 400.847 0.849 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)CC(F)(F)F)cc1 533828478 FPPZCJZUKFRABY-LBPRGKRZSA-N 423.413 0.861 30 20 HCED CN(CC(=O)N1CCOCC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 540462962 AWONSMDPHUDMGK-IBGZPJMESA-N 417.485 0.325 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)CC1 550789772 AOPDUFRWDRNVNY-RTBURBONSA-N 421.586 0.307 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 553671930 BTSXIFFQSVCPAQ-NRFANRHFSA-N 414.550 0.813 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CN1C1CC1 558057733 UGVWCKFCHRXLGM-OGWOLHLISA-N 409.490 0.911 30 20 HCED COc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)cn3)C2=O)c(OC)c1 559909841 RGOZMCPUIMVECU-INIZCTEOSA-N 423.429 0.826 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C#N)c(Br)c2)n(C)c1=O 561815561 FPFHRHHYYOLIFY-UHFFFAOYSA-N 417.223 0.707 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C)S1(=O)=O 563755616 TVSHJYAMMZHBHC-RYUDHWBXSA-N 402.436 0.111 30 20 HCED CS(=O)(=O)c1cc(Br)cc(C(=O)NCCn2cnc(C#N)n2)c1F 567252737 YHPRWRBQKXUIOU-UHFFFAOYSA-N 416.232 0.885 30 20 HCED N#CCNC(=O)CNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 568426272 UXVPFBNBGAPKGQ-HXUWFJFHSA-N 419.441 0.256 30 20 HCED N#Cc1cccc(C2(NC(=O)Cn3c(=O)oc4cc(S(N)(=O)=O)ccc43)CC2)c1 576249746 SDXVWBLOTUWCEJ-UHFFFAOYSA-N 412.427 0.919 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](CO)[C@H](O)C2)CC1 579998297 VGMGDYUPOUNTCM-GOEBONIOSA-N 415.450 0.130 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 584312240 NJFQUBIRVDXAAN-OAHLLOKOSA-N 417.897 0.987 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)o1 588110098 FUUGUCIRGVZRJR-UHFFFAOYSA-N 405.461 0.727 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 591484632 XCENCYCUADOWBO-UHFFFAOYSA-N 416.459 0.851 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(-n4cncn4)c3)CC2)cc1 603940759 YDELKWOJBDJWJL-UHFFFAOYSA-N 423.458 0.681 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 608229369 FMTIBDVQZONSOK-DYVFJYSZSA-N 417.491 0.808 30 20 HCED C[C@@]1(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 608890987 JDMLCZWJHLHMIX-NRFANRHFSA-N 405.414 0.659 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 610149260 XIDPYUBJGIUXBS-UHFFFAOYSA-N 423.470 0.309 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 610386071 RWRPNMXSJZOBDB-NSHDSACASA-N 406.402 0.320 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 610806080 PEGNGMUGERICBA-BMGDILEWSA-N 406.508 0.283 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 610806081 PEGNGMUGERICBA-JCGIZDLHSA-N 406.508 0.283 30 20 HCED N#C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 615824539 JSXAQUHFFXEIFW-RBOXIYTFSA-N 412.399 0.183 30 20 HCED CS(=O)(=O)N1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726584254 DFGYAZDYKMVIOO-UHFFFAOYSA-N 405.480 0.247 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1 728571193 YCKUPGHVUTVGOX-KRWDZBQOSA-N 416.522 0.118 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 729888923 KLSHOAJBPPLULZ-QGZVFWFLSA-N 423.491 0.567 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCOC 730803183 NJOPQBYVAIQJGO-UHFFFAOYSA-N 405.426 0.640 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)cn3)C2=O)cc1 730896164 YIKBNDVFXLPENS-FQEVSTJZSA-N 423.385 0.617 30 20 HCED Cc1cc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)no1 732910252 NGPPRPKHJDVKHA-OAHLLOKOSA-N 404.448 0.970 30 20 HCED N#C[C@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)C(=O)N1CCS(=O)(=O)CC1 732910290 OBTPXCYEFOYVER-OAHLLOKOSA-N 404.448 0.550 30 20 HCED CC(C)NC(=O)Nc1cccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732910991 WVBSNIPIUYTQAK-HNNXBMFYSA-N 406.464 0.796 30 20 HCED CC(C)[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741100315 QVZNYAXSHDFBFL-MOLDEKSUSA-N 410.496 0.571 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 742072677 RRSYSUMZQCHLLT-LYHOESIGSA-N 402.426 0.842 30 20 HCED Cc1c(C(=O)OCC(=O)NC2(C#N)CCCCC2)cnc2c1c(=O)n(C)c(=O)n2C 748429798 VSPPFJMANZECNB-UHFFFAOYSA-N 413.434 0.440 30 20 HCED CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749728934 TXGKWGYITDIOSJ-VBUUPXLYSA-N 424.523 0.961 30 20 HCED COC(=O)c1c(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)n[nH]c1C 751597225 TVLHZJLIKZRZSB-UHFFFAOYSA-N 401.408 0.488 30 20 HCED COC(=O)[C@]1(F)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 752116497 NVBLPYDXPWTDPR-SFHVURJKSA-N 400.370 0.250 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c[nH]nc2-c2cccc(Cl)c2)c(=O)n(C)c1=O 755805521 VNHPTPMCYQVISL-UHFFFAOYSA-N 422.854 0.440 30 20 HCED C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 758051089 KWOQIRDGKRGHCA-UHFFFAOYSA-N 414.508 0.675 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758094649 WEOUDHXYDAHEES-OAHLLOKOSA-N 418.899 0.947 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)CC1 758989574 JSTDSRCMLIYBEP-FQEVSTJZSA-N 417.510 0.242 30 20 HCED CC(=NNC(=S)NCCN1CCOCC1)c1ccc(Cl)c(S(N)(=O)=O)c1 764659979 RGQBCMVZPCCJIW-UHFFFAOYSA-N 419.960 0.508 30 20 HCED COc1ccccc1[C@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 771139468 BPLZSSWTZJEOOF-HNNXBMFYSA-N 403.460 0.974 30 20 HCED C#CCNC(=O)c1ccc(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)nc1 771190044 RQHQEKJROYATBP-INIZCTEOSA-N 404.426 0.946 30 20 HCED COc1cccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1OC(C)C 771890966 QGHGFAPLWXCOKL-UHFFFAOYSA-N 410.452 0.192 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C=C)c2)c1=O 772279807 WYRCLECRGHAMAX-UHFFFAOYSA-N 413.528 0.471 30 20 HCED C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 780204519 HRCIBROLNDADEH-ZBEGNZNMSA-N 403.416 0.809 30 20 HCED CC(C)(C)OC(=O)NCCCCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 781803602 MOTAJTNUPQBKNP-CYBMUJFWSA-N 401.485 0.647 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 782323974 UHLARRZTHRXODN-UHFFFAOYSA-N 403.376 0.320 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 785204355 WAHOEAFWVIJSGX-NSPYISDASA-N 402.382 0.271 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C(C)C 799272890 MJNURFZXJIWHSQ-SFHVURJKSA-N 400.479 0.461 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 799285760 KHNUVWQWKRPJKK-AWEZNQCLSA-N 410.448 0.096 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cnc2n1CCC2 802209279 SFJTUKJJRQPBJD-UHFFFAOYSA-N 413.463 0.798 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(-n2ccnc2)cc1 803343627 CAQSDWMOCAGAPX-UHFFFAOYSA-N 406.450 0.757 30 20 HCED C#CCCCS(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 804942629 KYWAMXQKESDGHK-UHFFFAOYSA-N 400.522 0.681 30 20 HCED COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 806897284 QVPOYWLZBCFUDU-HNNXBMFYSA-N 420.491 0.377 30 20 HCED C#CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 808078777 XMNBRYMKCWZZDZ-UHFFFAOYSA-N 417.443 0.935 30 20 HCED CNC(=O)COc1ccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1OC 813982892 YCVVSHSENICEOW-UHFFFAOYSA-N 404.404 0.205 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250077 GYVBTTIGESNIPL-UHFFFAOYSA-N 417.441 0.130 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 815338454 AXAPUKZUADBHNE-HOTGVXAUSA-N 421.475 0.613 30 20 HCED COCCCNC(=S)NN=C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 914559869 VZZOLZSDPMNQRE-UHFFFAOYSA-N 402.546 0.668 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1C(=O)CNC1=O 914617459 ZPNBOEAWVOUCOI-CYBMUJFWSA-N 422.463 0.235 30 20 HCED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 916912712 JCAXYDQHOATJIV-BHYGNILZSA-N 417.487 0.932 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918287802 UKUWNKGOAJYMJK-FXBPSFAMSA-N 421.523 0.602 30 20 HCED C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 919549312 NLAXNBSSOCDQQR-BXUZGUMPSA-N 417.447 0.175 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC(C(N)=O)CC1 1097880544 LJFIKBOUXADIGY-DZVNLGKHSA-N 404.511 0.023 30 20 HCED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1109740662 WZFPGUGPFKMTBF-ALYAQQCSSA-N 400.483 0.257 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1141968882 QEQXXZGWHKEQMS-DLBZAZTESA-N 417.491 0.565 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1286970981 YQRRJPYIQKKVJA-ZIAGYGMSSA-N 412.516 0.243 30 20 HCED CC(C)NS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1288273062 ZBJOKMLSVJACIC-MRXNPFEDSA-N 408.463 0.505 30 20 HCED CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1313957688 WZNJTOYRRSFPTF-ROUUACIJSA-N 403.531 0.538 30 20 HCED N#CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1317798708 VLXWJQSDYUOVCR-UHFFFAOYSA-N 414.443 0.962 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1505315846 TUYDGTCPQCGWIN-OGHNNQOOSA-N 410.475 0.496 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)CCO1 1505322122 JFKUWIXDIOHYBI-IAGOWNOFSA-N 417.491 0.450 30 20 HCED CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1515800905 ZWSNWKGGTRLHGJ-BLLLJJGKSA-N 408.463 0.282 30 20 HCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1516590886 WMULFAMUDLSYIA-UHFFFAOYSA-N 419.511 0.452 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1555993451 OLLVALRJICXWBG-QZTJIDSGSA-N 410.478 0.870 30 20 HCED C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1559837268 SOQQXHGGFIPJCD-ZDUSSCGKSA-N 413.525 0.475 30 20 HCED CC1=C(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)n2nnnc2N1C 1568505494 UPBLMIZKHJECDB-CJNGLKHVSA-N 406.450 0.747 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1597694187 QILFNMYRPNGQRA-YVEFUNNKSA-N 412.491 0.884 30 20 HCED CC(C)C(=O)NCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1598136259 BSPSXIKCNWBXPL-MRXNPFEDSA-N 409.498 0.684 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC(=O)NCC2CC2)cc1 1620352164 MCHRRYKIBOKIOX-UHFFFAOYSA-N 409.450 0.191 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 1626657933 JBCBDMYNSQNNHQ-IJEWVQPXSA-N 414.553 0.468 30 20 HCED N#Cc1cn(CCC(=O)NC[C@H](O)c2cccc(Br)c2)c(=O)nc1O 1633860872 WXAACHUTFMLZCE-ZDUSSCGKSA-N 407.224 0.823 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1651875602 ZSPGTFOBYMHMLI-UHFFFAOYSA-N 420.516 0.712 30 20 HCED COCCN(C)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1670211704 PRTIXLYMQDECLG-UHFFFAOYSA-N 404.496 0.893 30 20 HCED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1706003985 XFHYORMQOUIZFN-IBGZPJMESA-N 420.493 0.022 30 20 HCED CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC)cc1 1727391759 KGCVHIBLZRAYOF-MRXNPFEDSA-N 404.496 0.785 30 20 HCED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1729721254 JZJYYEUYFJBSDB-MRXNPFEDSA-N 416.507 0.824 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1750069280 KDOIDOYSUBNEQC-CVEARBPZSA-N 402.547 0.851 30 20 HCED CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC 1765281606 NMELQMYKWQNZNH-UHFFFAOYSA-N 404.496 0.824 30 20 HCED CO[C@@H]1COCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1769138958 YKDJIHRQAHPRJM-QMTMVMCOSA-N 406.462 0.894 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)C1 1770731976 SUWPGFMCSPUPLV-IBGZPJMESA-N 419.461 0.125 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1778965922 XGMRZFSLBNCLQP-OXQOHEQNSA-N 411.568 0.438 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1778973384 JHSOQDVSQAPICJ-KKSFZXQISA-N 407.511 0.402 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(N)=O)CCO2 1779006094 GWDAAQWPZHERND-IBGZPJMESA-N 408.575 0.536 30 20 HCED 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Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NCC(=O)NCC#N)c1O 436711625 AVTCWQGUDSSRKF-UHFFFAOYSA-N 406.398 0.866 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)C1=O 439433893 ADZDVBZPHMDYEM-INIZCTEOSA-N 410.496 0.862 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 446523710 OWLMPLOZMACWQY-CVEARBPZSA-N 405.476 1.000 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 470396469 FDYJVCUAIPUZRG-ZCNNSNEGSA-N 415.490 0.922 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 470980059 TVQPFXCKXGSOLK-KRWDZBQOSA-N 413.459 0.903 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)c1C#N 471692274 HIYKLYLFZQZHIQ-UHFFFAOYSA-N 406.450 0.444 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(CC#N)C2)c1 478321446 WPMPTJXOKCDBSD-MRXNPFEDSA-N 406.508 0.909 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cn1 480525055 RQFLURZJBXSGPC-UHFFFAOYSA-N 406.489 0.868 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481742473 LGTPUYWUZUVJLJ-ZDUSSCGKSA-N 416.525 0.013 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508930519 MBNTYCFJQICNOD-CVEARBPZSA-N 413.544 0.845 30 20 HCED COC(=O)[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C(=O)OC)C1 509381651 WPRJALPWKZXUFM-XJKSGUPXSA-N 411.418 0.893 30 20 HCED Cc1noc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 510047330 GJGHUZXCBBYNFA-UHFFFAOYSA-N 405.436 0.299 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)cnc21 511795245 QTPOFEPHYUDOAE-MRXNPFEDSA-N 404.430 0.884 30 20 HCED C[C@@H](CC#N)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 512008944 NKDAJUPPHXMMGY-SMDDNHRTSA-N 421.928 0.840 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)nc1 516092269 RXOMTTIDTNXVPN-UHFFFAOYSA-N 408.418 0.105 30 20 HCED Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1S(=O)(=O)NCC#N 518691718 REXWGUAYRMMPEM-UHFFFAOYSA-N 407.540 0.554 30 20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 520246259 YCAYTVBFXNHRLR-INIZCTEOSA-N 424.548 0.947 30 20 HCED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)Cn2ccnc2C#N)c1C(=O)OC 535504360 QPOHMOSIADZROU-UHFFFAOYSA-N 420.403 0.744 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 537520212 QOXUEQLWAZCEHK-UHFFFAOYSA-N 416.887 0.785 30 20 HCED N#Cc1ncn(CCNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 553956422 ATYRNCIEKUWEED-UHFFFAOYSA-N 417.495 0.443 30 20 HCED CN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 555279856 HYJZMNIRVYNUCH-UHFFFAOYSA-N 405.430 0.797 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)cc3F)C2=O)cc1 555497276 TYEMJQDZGIXKSX-QGZVFWFLSA-N 416.434 0.876 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 557493745 QSKWTASNQHPISM-FQEVSTJZSA-N 413.522 0.429 30 20 HCED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(-n2ccnn2)cc1 564298254 OXLJUNYCELPIEN-ZDUSSCGKSA-N 421.465 0.713 30 20 HCED C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 572108408 XCCROFMVZXLZJS-IZPCHGGPSA-N 413.503 0.638 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(CSC)c2)CC1 572912781 CZOFCTFPGFSUOC-UHFFFAOYSA-N 404.536 0.612 30 20 HCED Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 574965051 FOKANOQSZPNIGR-HNNXBMFYSA-N 420.429 0.942 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1F 576746156 FRNPOKJOCXZDRV-CABCVRRESA-N 409.439 0.831 30 20 HCED C=CCn1c(Cc2noc(Cc3ccccc3C(N)=O)n2)nnc1N1CCOCC1 583525010 QMEYEDRLXATUAY-UHFFFAOYSA-N 409.450 0.964 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 588126204 DCHLBNLPPLRFGS-IBGZPJMESA-N 411.506 0.440 30 20 HCED CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611633179 SDAFEWDABSGCKJ-NFAWXSAZSA-N 410.452 0.727 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)nn1 612806722 PGIBFHFUGLYWOH-MRXNPFEDSA-N 424.465 0.957 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)n1 612850072 FGBNPWMHQGUJKP-KRWDZBQOSA-N 409.450 0.616 30 20 HCED C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@H](CC(=O)N3CCOCC3)C2=O)c1C 642119191 YTTYYNOBDFIYAW-INIZCTEOSA-N 402.451 0.643 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)C1=O 726042597 KYCVHPFUHBKBEG-UONOGXRCSA-N 401.419 0.815 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC1 727480025 RXEUCRNPWOPFDG-UHFFFAOYSA-N 413.522 0.649 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 728530403 CQSTWBPGDROVEP-NQIIRXRSSA-N 424.545 0.880 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)c1 730396229 OBPBNQGOKHRCKJ-HUSAPJIJSA-N 408.480 0.685 30 20 HCED CS(=O)(=O)Nc1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 732310693 MWSWBZHSMXWSMM-UHFFFAOYSA-N 423.472 0.951 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(CS(C)(=O)=O)no2)c1 744553410 KJCJKBCSNPJKFL-UHFFFAOYSA-N 415.449 0.436 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCc1nc(O)n[nH]1 748382663 MICGHOVOGYXJGS-UHFFFAOYSA-N 420.495 0.858 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 749380401 VZQAJNVLXZJUEC-UHFFFAOYSA-N 410.496 0.557 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 749504350 LQADOUYEEZXSFP-UHFFFAOYSA-N 418.461 0.496 30 20 HCED C=C(C)[C@@H](CC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)OCC 756471601 RTKDLUXHWRKBDQ-JKSUJKDBSA-N 402.513 0.232 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2F)c1=O 758060840 PGCFJIJZKBVFGO-UHFFFAOYSA-N 419.865 0.601 30 20 HCED CCOC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759951509 VMOQILVAJZFQEX-QGZVFWFLSA-N 423.491 0.590 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)C(=O)OC 763281672 WOTUSIKUHLVXMQ-UGSOOPFHSA-N 411.480 0.324 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCC(F)(F)F 767679681 JWEBQDVQXCWEMY-UWVGGRQHSA-N 407.370 0.835 30 20 HCED C[C@H](C#N)Oc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 769464180 VSBZHKDUELUFIT-AEFFLSMTSA-N 420.535 0.398 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770841203 YTEJDTNQLFZLOI-VOJFVSQTSA-N 424.816 0.718 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 771762842 BKVZVCGHMWFZKF-PVAVHDDUSA-N 422.551 0.975 30 20 HCED C=CCNC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 777515667 MMOATQGFFQWBTN-CYBMUJFWSA-N 415.899 0.829 30 20 HCED CC(C)Cn1c(N)c(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(=O)n(C)c1=O 780215457 SBYDZTSISKXSRQ-MRXNPFEDSA-N 414.418 0.116 30 20 HCED N#CC1(NC(=O)COC(=O)[C@H](CO)NC(=O)c2cccc(Br)c2)CCC1 784212706 FOWHKSGXDWSEGP-ZDUSSCGKSA-N 424.251 0.645 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 785165359 QJVNZSKXOLZDNG-SFHVURJKSA-N 400.479 0.557 30 20 HCED COC(=O)CC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 791217943 GJBVDIVWKGBCPG-UHFFFAOYSA-N 423.491 0.591 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 792135643 DZAAGIURXYIWRF-IBGZPJMESA-N 414.462 0.090 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCn2cnc(C#N)n2)C1=O 795174700 ALETZFWPZQTOIZ-AWEZNQCLSA-N 413.463 0.926 30 20 HCED COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 797297574 KYTMASCLOMIXLK-LLVKDONJSA-N 402.450 0.385 30 20 HCED C=CCN1CC[C@H](N(C)Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)C1=O 799142408 SAJYIWPGUYANCN-CABCVRRESA-N 422.555 0.687 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 799287988 VSCYGZSPUPVQCO-CQSZACIVSA-N 400.439 0.176 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC(c3ccc(OC)cc3)=NO2)C1=O 801382000 QOJRGMTUFAZYPU-CQSZACIVSA-N 400.391 0.281 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c(F)c1 802572848 JPIYSDSPJLOHOX-ZQDZILKHSA-N 420.368 0.836 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1C#N 808226964 ADODOVOFDWHEMG-ZDUSSCGKSA-N 412.368 0.853 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCCO1 808611656 HRECBXOFQOINON-XHSDSOJGSA-N 407.829 0.998 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2Cc2ccccc2)cc1 811835156 UJSIEEOUDPFBSM-UHFFFAOYSA-N 411.443 0.990 30 20 HCED C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 816675383 ZLIIRSRZVPQGBJ-AWEZNQCLSA-N 412.464 0.357 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1251969397 QVSVZSMFOCMKGY-DVOMOZLQSA-N 418.475 0.797 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1254792205 ABPPHZZSIMDRJE-WBVHZDCISA-N 414.462 0.731 30 20 HCED C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1288525892 RFVGAVUHPGKZNX-RDTXWAMCSA-N 404.496 0.552 30 20 HCED COCCN1C[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1301868331 UNRDJWLLBWSSOL-BZUAXINKSA-N 404.471 0.006 30 20 HCED CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1314561334 VEXLZCVUEPJWAX-BBRMVZONSA-N 400.480 0.901 30 20 HCED N#C[C@H](C(=O)CN1CCN(CCS(N)(=O)=O)CC1)c1nc2ccccc2s1 1319387141 ZIWKERYLXPFLJQ-CYBMUJFWSA-N 407.521 0.379 30 20 HCED C=CC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1320652881 FOGBVBGVCULRDS-HNNXBMFYSA-N 411.480 0.291 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCNC(C)=O)C1=O 1338289626 MVMZHNWFUWHFFB-AWEZNQCLSA-N 405.480 0.379 30 20 HCED COc1ccc(C(=O)[C@H](C#N)C(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 1357543056 KHRBUGYJGABLFK-AWEZNQCLSA-N 407.448 0.317 30 20 HCED CCOC(=O)[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC12COC2 1455482768 LHPWRBWTMDFPNB-CZUORRHYSA-N 421.475 0.263 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 1476413633 UDISFJXSDPIOBF-YPMHNXCESA-N 400.482 0.528 30 20 HCED CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1497327352 JDRJRKIVINCBLJ-DJIMGWMZSA-N 422.555 0.782 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1507854413 OKYWKGCZTVHWND-NWDGAFQWSA-N 404.924 0.603 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCOCC2)CCOC1 1516233793 WORANHSZSBDUCE-ABSDTBQOSA-N 420.514 0.380 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1517589678 WKTLRRXLTUFING-UHFFFAOYSA-N 416.507 0.966 30 20 HCED COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1545755918 WNGKBRABLCNVJN-MRXNPFEDSA-N 409.464 0.406 30 20 HCED CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 1548037093 WNRHWDNVNITONC-GXZXJKLZSA-N 414.532 0.414 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCn2cc(CO)nn2)C1 1555985116 JFCXJIUFSICMLC-IBGZPJMESA-N 411.445 0.880 30 20 HCED COC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)s1 1561631113 UQUZEUOXJODWJC-LBPRGKRZSA-N 400.482 0.126 30 20 HCED CC(C)N(C)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1607956470 OOEFEJXJFWUAHY-GOSISDBHSA-N 414.558 0.917 30 20 HCED N#Cc1cn(CC(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)c(=O)nc1O 1633356063 MRNSGNNLPHWMHZ-GDLZYMKVSA-N 416.459 0.887 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CCC2)S(=O)(=O)CC1 1638138664 VDFRGONNJTWXCL-UHFFFAOYSA-N 411.505 0.295 30 20 HCED CC(=O)N1CCC(N(Cc2cncs2)C(=O)NCCn2cnc(C#N)n2)CC1 1682389847 PTHQYVCMIBVPET-UHFFFAOYSA-N 402.484 0.829 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1697025838 PBGKDHRRAOICAT-SFHVURJKSA-N 422.486 0.869 30 20 HCED CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cn1 1710184829 QFSVHQAOVKVDCT-QGZVFWFLSA-N 411.514 0.858 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1729078796 PBQFEFCRWTVZMC-HNNXBMFYSA-N 420.495 0.433 30 20 HCED CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C1 1767510880 XOOAXDFUJNSMSM-HXUWFJFHSA-N 401.515 0.711 30 20 HCED COC[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1)OC 1769258066 XINLAXOKCURRAH-DLBZAZTESA-N 411.466 0.907 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778623863 KNCDENYGORTRBY-KUHUBIRLSA-N 402.476 0.878 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1778885619 LQAOYEBPVUOKBV-SIKLNZKXSA-N 404.555 0.832 30 20 HCED 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C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(=O)OCC)c3)C2)C1 1840174160 MCLNUTDVRIHHFC-OAQYLSRUSA-N 417.462 0.904 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1840840369 OVAHSWKMCSUHEX-JOCHJYFZSA-N 405.539 0.977 30 20 HCED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccccc1 1844335092 KZLQANOOGXAODE-MOPGFXCFSA-N 410.518 0.980 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1845959180 OQQSUKSPYIWREV-QRWLVFNGSA-N 405.495 0.831 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1846998498 CYVAOYFVLIMNQY-HZPDHXFCSA-N 405.495 0.831 30 20 HCED N#CCCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 24772413 IGBOKLXDGDFGKD-UHFFFAOYSA-N 418.269 0.691 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 52716449 MVVCVKLLQIVSTD-CQSZACIVSA-N 412.512 0.498 30 20 HCED CNC(=O)[C@H]1CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 55017127 WTONOUYSLGPVIO-OAHLLOKOSA-N 412.450 0.665 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 409530955 VJKZOTVPLCEJSU-OAHLLOKOSA-N 400.526 0.470 30 20 HCED Cc1ccc(Cn2nccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)o1 429998639 CPCGUFNCHVIRHO-UHFFFAOYSA-N 414.466 0.846 30 20 HCED N#Cc1ccc(OC[C@@H](O)CS(=O)(=O)Cc2nnnn2CC(F)(F)F)cc1 431589578 YWPJFGKHQKKOJC-LLVKDONJSA-N 405.358 0.462 30 20 HCED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4ccc(F)cc4C#N)CC3)ncnc21 435663494 OSYCHTAVOMYPLK-UHFFFAOYSA-N 408.397 0.661 30 20 HCED Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C#N)c1C 436222613 VHXYSEYYSQKGCH-CYBMUJFWSA-N 415.450 0.388 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 438249900 XJFHMSAYUQKQNK-CQSZACIVSA-N 411.361 0.871 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 444516259 SNKLNVDKLXQLOK-SJORKVTESA-N 408.462 1.208 30 20 HCED Cc1ccc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 444547753 JRPVBHIMOZOUCD-HNNXBMFYSA-N 408.524 0.714 30 20 HCED Cc1ccc(-c2nc(CN3C(=O)NC(C)(C)C3=O)no2)cc1S(=O)(=O)NCC#N 460823955 MIUARRUONNIIAO-UHFFFAOYSA-N 418.435 0.677 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 465412060 ZIAXTZWWXYFUEK-CQSZACIVSA-N 412.487 0.545 30 20 HCED C[C@H](O)CN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@@H](C)CO 471028844 DSOKHQKRGBSACN-GJZGRUSLSA-N 416.478 0.798 30 20 HCED CC[C@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)N1CCOCC1 472078013 ZPNQWKNWNRXODS-INIZCTEOSA-N 403.487 0.069 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C(=O)C2CC2)CC1 474231199 LAQBDOXNEMRREM-CQSZACIVSA-N 404.492 0.696 30 20 HCED C=CCNc1nnc(S(=O)(=O)CC(=O)N[C@H](C(=O)NC)c2ccccc2)s1 479019165 WXNBSCNIWKRUGQ-ZDUSSCGKSA-N 409.493 0.513 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC 481578996 GDFVKRZYWZSGFO-SNVBAGLBSA-N 402.381 0.389 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 491076833 MGYSHOCECKRBDE-UHFFFAOYSA-N 420.466 0.097 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCNC(=O)[C@H]2Cc2nc3ccccc3o2)cc1 505562000 NSEQLLSKJSYWDB-QGZVFWFLSA-N 417.425 0.999 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 505943668 OGPLOPQSIJIRPB-INIZCTEOSA-N 418.494 0.631 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 506959431 BIMQLVRWVVTYKD-STQMWFEESA-N 421.479 0.610 30 20 HCED C=CCn1c(-c2ccccc2C)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 507485808 NCPVBCJFWHJIIJ-AWEZNQCLSA-N 419.507 0.806 30 20 HCED C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508496996 IKLVKTMWGABIKK-MRXNPFEDSA-N 423.477 0.480 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508930526 MBNTYCFJQICNOD-JKSUJKDBSA-N 413.544 0.845 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511203558 YCAJFFBYOAHGGL-SNVBAGLBSA-N 412.896 0.826 30 20 HCED CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O 513944085 JXZGOBGFAMLQEW-IUODEOHRSA-N 406.464 0.221 30 20 HCED C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 520333439 YZNCHIMLLDTDDB-OAHLLOKOSA-N 407.492 0.869 30 20 HCED N#CCCN(C(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 533382900 RJVIUCQCIVJHBB-QZTJIDSGSA-N 406.508 0.021 30 20 HCED CC(C)C[C@@H](CN(C)S(=O)(=O)N(C)CCC#N)NS(=O)(=O)N(C)CCC#N 534804412 JTBIGEWYAWYMJH-HNNXBMFYSA-N 422.577 0.103 30 20 HCED COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(O)c1 540510269 YAJVTSMGYQANOB-SJKOYZFVSA-N 417.443 0.961 30 20 HCED CN(C)c1nc(O)cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 549172293 IFJFHHKCGUQARX-UHFFFAOYSA-N 416.463 0.267 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccnc(N2CCCC2)c1 550362358 MWFCYJGNKFYWCY-UHFFFAOYSA-N 410.482 0.566 30 20 HCED COc1ccc(CCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC)c1 551682384 OOLBKEDCBSNSDM-UHFFFAOYSA-N 414.466 0.631 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1c(I)cnn1C 551767063 QPOBXJJTRVEASH-UHFFFAOYSA-N 413.223 0.906 30 20 HCED Cc1ncc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(N)n1 552189075 FDHYHMNQQYMEBV-UHFFFAOYSA-N 414.491 0.956 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nc(C(C)(C)C(=O)OC)cs2)C1=O 556203113 GWIQMLGAJUZQLP-LLVKDONJSA-N 408.480 0.778 30 20 HCED C=C(C)Cn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 558995055 NVFOLXIBGSQZNS-QGZVFWFLSA-N 406.531 0.760 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC#CCO)cc2)cc1 559252232 VHQSOBFEYJWZTP-UHFFFAOYSA-N 415.471 0.849 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 564047991 ZGROMRIMFQGABR-KRWDZBQOSA-N 422.493 0.121 30 20 HCED CC(C)(C)OC(=O)CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 564140794 DMTIKSXYCHTTCY-UHFFFAOYSA-N 422.507 0.322 30 20 HCED N#Cc1ncn(CCNC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1 565411872 BHBCGKMSJROXFG-UHFFFAOYSA-N 401.370 0.845 30 20 HCED Cn1nccc1[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 566549646 KMXQNZYKMWRUTA-QGZVFWFLSA-N 418.461 1.276 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 566828163 NSQRIZJNGRGXCZ-MRXNPFEDSA-N 420.878 0.703 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 577096773 SJEGHJXWWZAIGF-UHFFFAOYSA-N 412.288 0.979 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)C2=O)cc1 579517904 ZBUXQSBIHBMDBC-BZSNNMDCSA-N 423.473 0.045 30 20 HCED N#Cc1cc(O)cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 589168649 VCZQNPCTEHOYFY-UHFFFAOYSA-N 415.475 0.541 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 603889828 VFAFURFVCKDUNR-UHFFFAOYSA-N 403.870 0.917 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)c1=O 603908812 OODYZEAJRCGKHS-UHFFFAOYSA-N 403.483 0.302 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccco3)c2=O)cn1 608884529 KQLDGBKMKKSKPJ-UHFFFAOYSA-N 408.439 0.677 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(N)=O 608912192 OUZFWEYMLCKRMK-UHFFFAOYSA-N 412.515 0.350 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 608912337 UENYUWUDJAHTPO-UHFFFAOYSA-N 416.890 0.174 30 20 HCED CS(=O)(=O)c1ccc(NCCNC(=O)NC2CCN(CC#N)CC2)c([N+](=O)[O-])c1 609335731 FSSAHSHIIAIREB-UHFFFAOYSA-N 424.483 0.697 30 20 HCED Cc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)nn1-c1cccc(C#N)c1 611538003 AEYLEAUUMQKOMA-UHFFFAOYSA-N 402.480 0.617 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCC(C)(C)N3CCN(C)CC3)CC2)c1C#N 615988023 KTNBPJHKCSDJIG-UHFFFAOYSA-N 402.547 0.458 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 616694889 HBDIADCOJHCSHO-UHFFFAOYSA-N 423.491 0.855 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2OC)CC1 671923005 PZVFHIUITQZUSK-UHFFFAOYSA-N 416.522 0.535 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)c1ccccc1 728091766 LDNJXWZOUFSDEV-UHFFFAOYSA-N 415.427 0.379 30 20 HCED CS(=O)(=O)CCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 728614785 GQXGIWDIVVKMRI-UHFFFAOYSA-N 414.505 0.937 30 20 HCED C#CCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 742213104 CJCYTSPYNAHMJO-OBAOGOGRSA-N 422.532 0.684 30 20 HCED C[C@H](CC(=O)Nc1ccn(CCN(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 742602476 SAXRUSUPFXTLSH-CYBMUJFWSA-N 404.496 0.901 30 20 HCED Cc1cc(CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 744462255 BHFCRVKBFICTJY-UHFFFAOYSA-N 403.464 0.366 30 20 HCED C[C@H](CCN(C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 744908261 SGJNLMSPFBMWMQ-CHOFAJOMSA-N 423.539 0.894 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)cc1 749694528 SRKLHFQAKNNXMG-SFKFPXOQSA-N 408.480 0.279 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1 753831824 SVAZSSPEUUFGQX-UHFFFAOYSA-N 413.883 0.182 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755538750 TVQHIIRQWHOODT-ZFWWWQNUSA-N 415.450 0.860 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 757231875 QKRRBDDCNBPWSS-CYBMUJFWSA-N 418.483 0.332 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C[C@H](O)c1ccccc1 757955390 BJHAJIQOBSWNPC-HOCLYGCPSA-N 403.460 0.326 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(N)=O 758589780 YUAIQHVUAAQJOS-UHFFFAOYSA-N 404.517 0.703 30 20 HCED C#CCCCC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 759173824 QLPTVGOHTKCEOO-UHFFFAOYSA-N 408.476 0.670 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCSc2ccc(C)cc2)CC1 761038784 YXNWGFRJHMDAGE-UHFFFAOYSA-N 410.565 0.289 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CC(C)C 767874606 YHSRJZURVHSFEY-UHFFFAOYSA-N 406.533 0.678 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccc(F)cc2)c1 769722532 BHKRCUNBEJIODW-UHFFFAOYSA-N 419.434 0.878 30 20 HCED C[C@@H](O)c1ncc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 773054983 TXZAFTPOBADNSE-GFCCVEGCSA-N 410.525 0.974 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)s1 773231011 FMXXILMNSZELOU-UHFFFAOYSA-N 403.511 0.751 30 20 HCED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 781218032 QYIIKMJTDBWWAI-CABCVRRESA-N 422.551 0.807 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)cc1C#N 782138241 RACKZVWQBWTSDE-LSDHHAIUSA-N 418.406 0.590 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1OCC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 783475871 PGOWPVUVQYEKLT-HIFRSBDPSA-N 420.487 0.996 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)nc1 787121766 FZIUDZHIXPFZBH-KRWDZBQOSA-N 400.483 0.241 30 20 HCED C[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1C(=O)OC(C)(C)C 787759426 NXELPKHAPHDZBQ-CQSZACIVSA-N 416.482 0.949 30 20 HCED C#CCn1ccc(CN(CC)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1 788999337 VGBYQOKWLPPZJG-QGZVFWFLSA-N 411.528 0.536 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 789403716 NUIQHKYBHVIETK-AWEZNQCLSA-N 409.402 0.545 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccc(-n2ccnc2C)nc1)c1cc[nH]n1 789958526 WRGQJDRWAIDJCC-UHFFFAOYSA-N 411.422 0.899 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2OC)[C@H]1CCS(=O)(=O)C1 790958109 RFZUXCUTMOYDFW-XJKSGUPXSA-N 406.460 0.744 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C2CC2)C1 791185611 SVHUWFKXIOUIBN-HNNXBMFYSA-N 404.492 0.931 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CC(=O)N2CCCCCC2)C(C)C)c1=O 795742922 LKTXPUFPWRQIML-UHFFFAOYSA-N 419.526 0.614 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 800113872 JUOISEUVKBINBR-AWEZNQCLSA-N 406.505 0.319 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@@H]1CCCO1 803132323 YIAUVYNUBWSYAV-QYZOEREBSA-N 413.474 0.509 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2(CO)CCCC2)cc1 810417429 JLKGBVUNZWURMN-JWGURIENSA-N 422.507 0.859 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(C=O)CC1 819436599 QVNBCLTZRHBNIS-INIZCTEOSA-N 406.508 0.831 30 20 HCED CC(C)(C)NS(=O)(=O)CC/N=C1/NC[C@H]2CN(C(=O)OC(C)(C)C)CCN12 849087135 ZSSOGJNHYBENJO-ZDUSSCGKSA-N 403.549 0.585 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 917036866 PJTJCTRTHFUQAW-GAIWEEKLSA-N 407.426 0.827 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC[C@H](NC(C)=O)C2)c1 918957342 UDAQQBCRURUTPM-INIZCTEOSA-N 423.491 0.435 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 919170869 GRQJXZSPCYCDEU-UKRRQHHQSA-N 424.475 0.961 30 20 HCED 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1838403697 FRMRWBLVLIWFHJ-LAGKDRCJSA-N 411.499 0.895 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)c1 1838741989 KZNGFXNFFVTKAV-FQEVSTJZSA-N 412.450 0.312 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1839224062 MWLBAWAUMMAPRU-NQIIRXRSSA-N 424.542 0.730 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839224575 MLVLMBCHBJHLIB-KUHUBIRLSA-N 423.470 0.178 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839840367 APGFAZYZERDTHU-DYVFJYSZSA-N 404.410 0.765 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839886941 QTDOFQAJDQRYRG-QAPCUYQASA-N 414.405 0.981 30 20 HCED CCC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840041690 CELKRSRLNHVPEP-UWJYYQICSA-N 417.462 0.374 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840169421 CNDQWSKYPWLIAR-NRFANRHFSA-N 423.510 0.771 30 20 HCED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840523322 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0.007 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(CC)C[C@H](C)C#N)C1 410139653 CXTJYHUWPLYZFV-CABCVRRESA-N 402.517 0.446 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1 439054622 BCZQXIPCGJAECN-LIRRHRJNSA-N 417.491 0.323 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)C1=O 440265185 LDTOTNSRNHFYOW-MRXNPFEDSA-N 411.462 0.571 30 20 HCED CC#CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 440722950 GDXWRUMQLRKIMJ-UHFFFAOYSA-N 406.508 0.481 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 443571606 CWYBLRMDUHUENW-UHFFFAOYSA-N 400.485 0.519 30 20 HCED Cn1cc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C[C@H]2CO)cn1 444504818 VRGRXVPNTAGJFU-WMZOPIPTSA-N 417.491 0.460 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1)n1cnc(C#N)n1 466343258 IULJSKBQONNFDF-GFCCVEGCSA-N 404.452 0.807 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)on2)c1 468246110 UMYIINFDUVEQJC-UHFFFAOYSA-N 423.429 0.356 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 471980345 VBKNVGLLRREVTL-KRWDZBQOSA-N 405.524 0.972 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)S(=O)(=O)C3CCOCC3)CC2)c1C#N 472240182 JLMHQBYXRKNDME-CQSZACIVSA-N 409.512 0.231 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC(O)(CC#N)C2)c(C)c1 476816523 JGMRAOVRRTYLGD-HOTGVXAUSA-N 407.492 0.223 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 481037414 PGEWKFZDYGLTIU-XQQFMLRXSA-N 424.479 0.950 30 20 HCED CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481256990 WGTZEBQRUVHPSI-GOEBONIOSA-N 406.508 0.990 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(C(=O)N(C)C)CCCC1 482195222 WGSHFFCKBSOKEK-AWEZNQCLSA-N 406.508 0.990 30 20 HCED CN(C)C(=O)CSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 482302702 NCLNTKNZZFVHHU-UHFFFAOYSA-N 410.521 0.213 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 484518391 VKWJDJQZLJZAKG-UHFFFAOYSA-N 417.560 0.378 30 20 HCED 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CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)c1 551481202 PVMQJLYSNFTEHZ-UHFFFAOYSA-N 410.405 0.489 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 553325458 PZHWEMXJJLNDQB-UHFFFAOYSA-N 420.535 0.609 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCn2c(Cc3ccccc3)nnc2C1 554534813 KXIHXNGNAQHQQY-UHFFFAOYSA-N 404.496 0.791 30 20 HCED C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555272139 KCIJRTCIFRNYCJ-CQSZACIVSA-N 410.434 0.397 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)cc1 556089192 DLGMCSRGCDZOQD-UHFFFAOYSA-N 421.457 0.869 30 20 HCED C=CCCCN(C)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 556181520 XPGVNKRXWNQWOP-UHFFFAOYSA-N 423.539 0.074 30 20 HCED C[C@H](C(=O)NCCn1cnc(C#N)n1)N1C(=O)c2ccc(Br)cc2C1=O 561274290 BUBCHQAYLKAIBK-SECBINFHSA-N 417.223 0.713 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCO1 564043609 ARTQZQNODLKTRW-KRWDZBQOSA-N 414.510 0.219 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 564126710 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HCED C[C@H](CC(=O)N[C@H](C(N)=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742510577 NPDDKVQTYHRLQS-PXAZEXFGSA-N 400.460 0.847 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 742905449 NNYPTUGGVYWAAM-AWEZNQCLSA-N 422.488 0.407 30 20 HCED C[C@@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442608 LFLONFQAWIFRCK-HJORKGSMSA-N 403.435 0.423 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CC3)c2=O)c[nH]1 753356405 CENJBCHFECZNDH-UHFFFAOYSA-N 412.471 0.485 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 757584211 WIWLKYSXMYNSFW-OMDWYFEUSA-N 414.462 0.669 30 20 HCED C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C2=O 757835657 DEVJAWCLVLEYTQ-YVWYUNDQSA-N 417.466 0.932 30 20 HCED C#CCCCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760433822 RIWCPCWWIQHTCI-HNNXBMFYSA-N 423.491 0.290 30 20 HCED COc1ccc(COCCCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 760985282 GWLGKELENSXTHT-QGZVFWFLSA-N 408.476 0.958 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)C2)nn1 761077275 CJHAVFYIBONCMF-STQMWFEESA-N 412.406 0.768 30 20 HCED N#Cc1cccnc1NCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 765098010 KNVMRCOBMBBFBU-UHFFFAOYSA-N 408.466 0.400 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCOC 765145481 RIIRSOBILNEXKU-UHFFFAOYSA-N 405.501 0.432 30 20 HCED Cc1cc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n(C)n1 767634018 CPUTWHQSKZILNA-LBPRGKRZSA-N 405.436 0.449 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1nnc(C2CC2)o1 767678449 COSPZWNROIJNQA-SNVBAGLBSA-N 419.419 0.667 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CCN2CCNC(=O)C2)C1=O 781103967 HGDCJJLIMUXJET-HNNXBMFYSA-N 421.498 0.634 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)C[C@@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 781511667 ORGBUQHFNOTMRK-NEPJUHHUSA-N 415.493 0.129 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 783479535 CWFKKILTHFMSGX-INIZCTEOSA-N 418.450 0.907 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCC(=O)NS(C)(=O)=O)ccc2c1=O 788176818 OHGDWDZNAAEJAZ-UHFFFAOYSA-N 410.477 0.067 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1cc[nH]n1 789964315 WXPICUOEYXQKGV-UHFFFAOYSA-N 400.395 0.523 30 20 HCED Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CC2)nnn1-c1ccc2c(c1)OCCO2 793201451 LZDVNRQWESWKBH-UHFFFAOYSA-N 403.420 0.710 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2F)CC1 795825294 WXUOENZBMCDEAM-UHFFFAOYSA-N 411.455 0.058 30 20 HCED C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC1(C#N)CCC1 796275616 LXAUNEFXHYMRBO-NSHDSACASA-N 410.408 0.367 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 798060152 ZGVPZCAMZNWEMZ-BBRMVZONSA-N 411.480 0.904 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1C#N 800651345 ZZYDXYFVTPGSIL-CYBMUJFWSA-N 408.436 0.711 30 20 HCED COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)Cc1ccc(OCC#N)cc1 802888332 OVJLTHCLKQPPSO-UHFFFAOYSA-N 403.416 0.744 30 20 HCED CC1(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)OCCO1 806371959 CFMVUUKYIYQPHP-MRXNPFEDSA-N 400.435 0.439 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)n1 807367279 PHELITVPYPVACK-UHFFFAOYSA-N 401.814 0.685 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1)[C@H]1CCCO1 809305979 LSQCYZYXTIHYBQ-HUUCEWRRSA-N 405.417 0.397 30 20 HCED CNC(=O)COc1cccc(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)c1 810678809 GSMWGMBHJDQYIR-UHFFFAOYSA-N 417.443 0.739 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812431653 OIMNTARITTVYEO-HOTGVXAUSA-N 423.539 0.612 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)CC=C)cc1 815860936 JFDAIUROJGYUCX-UHFFFAOYSA-N 406.508 0.503 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@H]1CCCN(O)C1=O 816757403 RKPTZFKBSAYKIE-CABCVRRESA-N 415.537 0.891 30 20 HCED COc1ccc(OCc2nnc(S)n2N=Cc2cn(C)c(=O)n(C)c2=O)cc1 839395385 VXYWONRKDRPRFO-UHFFFAOYSA-N 402.436 0.434 30 20 HCED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 916913176 NFRNOZZTJDHCAF-CQSZACIVSA-N 408.418 0.344 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnn2C)cc1 918265809 OZHNWIFCMXTGQG-JWGURIENSA-N 418.479 0.488 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N(C)C 918271167 TYQQQNLJTGAWGN-JPDJOPTESA-N 409.512 0.504 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 919253217 XQIWYTSBSHROPY-HOTGVXAUSA-N 424.523 0.923 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]3CS(=O)(=O)C[C@@H]32)cn1 1054799287 RBBBCXJEIKFABF-LUMDGCDRSA-N 414.487 0.191 30 20 HCED C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1131532071 YCCPNZMWMFFPGM-QAGZKXQMSA-N 403.523 0.698 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@H](c2cnn(C)c2)C1 1150584831 RMOPKGJZOQRYSQ-DYVFJYSZSA-N 402.480 0.132 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3cccc(OC)c3)CC2)C1=O 1251653621 KFOPKFMBUWZLTA-UHFFFAOYSA-N 400.435 0.757 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1292704226 QXFJHOVJMCONQH-QZTJIDSGSA-N 417.485 0.421 30 20 HCED N#CC1(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOCC1 1324021337 IRTPTGMEZSTOSI-HUUCEWRRSA-N 414.480 0.045 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 1326306036 RAAQSCMAXZATBT-IEBWSBKVSA-N 407.478 0.971 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1338445930 JJAYGTCAIKNUAJ-PKOBYXMFSA-N 411.506 0.970 30 20 HCED CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1516130331 KPAQTBRXOQUBAL-FOIQADDNSA-N 420.514 0.951 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)c1 1540661130 NOXQETVOYUICOX-UHFFFAOYSA-N 415.475 0.718 30 20 HCED CN(CC(=O)N1CCOCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543777209 JLRBHRPGXZCWCI-AWEZNQCLSA-N 404.854 0.882 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccnc2N2CCOCC2)cc1 1543897380 JZHVGJWTWFKQGQ-UHFFFAOYSA-N 401.448 0.707 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCCC2=O)CC1 1583808367 IQDJTSPEARDASD-AWEZNQCLSA-N 404.492 0.729 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1622229895 JNLPRHOTMBJKCO-GFCCVEGCSA-N 422.504 0.510 30 20 HCED COc1cc(N[C@@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)cc(OC)c1 1635737725 XQOJCKVXNPSCFM-CQSZACIVSA-N 413.434 0.941 30 20 HCED COC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c(C#N)n1 1639264784 PWLNLBNAEDPIRD-OKILXGFUSA-N 423.495 0.216 30 20 HCED C[C@H](CC(=O)N1CC[C@H](c2nncn2C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1644721027 KENVBLRMWIPIMA-OLZOCXBDSA-N 402.480 0.648 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@@H]1C 1690994200 XVCFYZBIEFLTCJ-OQMKEHIESA-N 400.505 0.024 30 20 HCED CCOCc1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCS(=O)(=O)CC1 1696288769 NNDCOBKUPHIMQH-UHFFFAOYSA-N 411.528 0.884 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(CO)nn1 1722861580 PDHBVGIVCNDRNK-AWEZNQCLSA-N 401.475 0.284 30 20 HCED CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1741025380 QZIQZSFNRABSOL-CVEARBPZSA-N 403.487 0.404 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1750079105 NGEZTCVIYZIGMD-HUUCEWRRSA-N 408.528 0.821 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1750956395 TWYKFLSATQREFM-FQEVSTJZSA-N 417.514 0.795 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1)C(F)(F)F 1778162270 SKMZEERKIIMPMM-INIZCTEOSA-N 405.373 0.777 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1778967238 JQGKDEXOZZGCBP-MGPUTAFESA-N 404.467 0.502 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1778968761 VLILLVZOJDUDTD-IERDGZPVSA-N 409.527 0.696 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103293 RSEOORFIHAWSCM-IRDKATQISA-N 423.510 0.918 30 20 HCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136238 NMSGPAPOXVQQSC-IEOKTVNUSA-N 409.508 0.687 30 20 HCED 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BAIANOHKWSMLKL-UHFFFAOYSA-N 404.496 0.751 30 20 HCED Cc1nnc([C@@H](C)NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 567081883 JSBKVSTXOHVEQF-LLVKDONJSA-N 402.484 0.286 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@](C)(C#N)CN(C)C 569761507 STRMYWJVSGQSCV-GOSISDBHSA-N 410.496 0.290 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608924746 HTGIWJMSYSLJSN-UHFFFAOYSA-N 402.480 0.870 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnnn3C3CC3)CC2)cc1 610354476 ZBFFWKDEZRMXFN-UHFFFAOYSA-N 416.467 0.096 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 610797150 YGPKGOIHVWGCPU-DOTOQJQBSA-N 406.508 0.548 30 20 HCED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@](F)(C#N)C1 615608403 RHFBCXYLZQUYNI-KSSFIOAISA-N 411.455 0.692 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CC[C@@](F)(C#N)C2)c(O)nc1=O 615636060 QIODTERNNKXBPU-BFUOFWGJSA-N 424.477 0.637 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc(OC)ccc2OC)C1=O 726042610 LJEJOVBCWHYEOF-LLVKDONJSA-N 419.390 0.551 30 20 HCED COC(=O)C1=C(C(C)=O)[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)NC(=S)N1 731594917 OTGUGVANVLLMPX-CYBMUJFWSA-N 409.376 0.593 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 733040020 ZZRGLAAZCRUOKO-UHFFFAOYSA-N 416.454 0.929 30 20 HCED C#CCCN1CCC(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 743489615 IMVZANOYCZUUPQ-UHFFFAOYSA-N 408.480 0.819 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)ccc1F 744623982 CPMQUVLJAVPBSN-KPZWWZAWSA-N 424.454 0.398 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1 747278914 SQMPCZOEFFFKRY-UHFFFAOYSA-N 415.928 0.495 30 20 HCED C#CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2Br)CC1 749873271 FHSOOEJJXCTINB-UHFFFAOYSA-N 414.325 0.847 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)s1 750226333 WQWLCGSOOYHHCG-MRVPVSSYSA-N 409.873 0.623 30 20 HCED COC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C1CC1 750303598 XLOFBRPXWTWEDB-UDWOFDDZSA-N 422.507 0.979 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 755551213 LEABIBZEUTYAQQ-TZMCWYRMSA-N 406.443 0.343 30 20 HCED CCN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 756736978 CQWBFRCQTRBMKH-HNNXBMFYSA-N 406.508 0.831 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)o1 756919133 ATPBLEDVTNOSGO-YPMHNXCESA-N 412.468 0.985 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC)Cc2ccc(C)cc2)CC1 761037003 JKAOJZCYOZKCPD-UHFFFAOYSA-N 406.552 0.819 30 20 HCED NS(=O)(=O)c1cccc(NC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)c1 761229813 DZJZSIKSXOHGQO-UHFFFAOYSA-N 402.384 0.596 30 20 HCED Cc1cc(C)nc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 764749536 PCBCCXYNLKOQKN-UHFFFAOYSA-N 414.491 0.481 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 772401733 IANQZCPOVRTHRO-NXVVXOECSA-N 407.452 0.551 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 772942051 YORBZDYYSLXRCC-UHFFFAOYSA-N 422.550 0.350 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 778951795 WWMZWPQOVMJOFR-GOSISDBHSA-N 401.492 0.139 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 780047744 MXAISHMODUKSGF-ZIAGYGMSSA-N 408.480 0.704 30 20 HCED CCOC(=O)c1ccccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 781518724 XCTMRWVSSRONDB-NXVVXOECSA-N 400.391 0.444 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3c(F)ccc(S(N)(=O)=O)c3F)nc12 783304651 XQRJVQVKOQRBIV-UHFFFAOYSA-N 409.330 0.589 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCS(C)(=O)=O)C1CC1 785115447 GNADYDXCNWJJLN-UHFFFAOYSA-N 409.464 0.558 30 20 HCED CCn1c(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nc2ccccc21 785464176 ZHEWEOBIZFADTN-UHFFFAOYSA-N 408.466 0.941 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785662355 RDKYHCQZCOOAEI-YRNRMSPPSA-N 408.499 0.153 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)CC2)c1C#N 788340993 YNGCKPUSDHIKNS-UHFFFAOYSA-N 419.449 0.468 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794614677 VKWZINAOXYTVJO-HNNXBMFYSA-N 416.503 0.179 30 20 HCED C#CCC[C@H](O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 799080759 NABCKVNRFOHMAB-HNNXBMFYSA-N 409.508 0.278 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)ccc1F 805251709 JFFGHXMJJSUQFS-LBPRGKRZSA-N 404.485 0.845 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 809304895 SBCBOFKRINLMRN-FHWLQOOXSA-N 419.909 0.815 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1)[C@H]1CCCO1 809307286 BUCAQGZLWKBNCN-HRCADAONSA-N 419.482 0.108 30 20 HCED N#CCCCC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 812616823 QUOIUFIBODDECV-UHFFFAOYSA-N 409.464 0.561 30 20 HCED CC(=NNc1ccccc1S(N)(=O)=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 814918077 ZXXMXOAFSKEOED-UHFFFAOYSA-N 410.477 0.429 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 815483053 NWFXGYRNBHCRMT-UHFFFAOYSA-N 403.258 0.315 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1OC 837285806 QWTWIDHZIZBZRT-UHFFFAOYSA-N 423.498 0.670 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914816005 DVLICZISMJGWJG-QGZVFWFLSA-N 413.452 0.512 30 20 HCED CC[C@@H](CC#N)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1116594720 MMXGYOKWMAQFAK-DZGCQCFKSA-N 401.510 0.577 30 20 HCED C=CCn1c(Cc2noc([C@@H]3CC(=O)N(CCOC)C3)n2)nnc1N1CCOCC1 1116610072 WUTHQGUXRFOZMD-CQSZACIVSA-N 417.470 0.237 30 20 HCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)on1 1290964429 MREYQOYOIQGKTN-DZGCQCFKSA-N 423.499 0.694 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCC(O)CC1 1298013612 PHIAWBRONHZJLF-QGZVFWFLSA-N 422.551 0.713 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1315068881 NGQPRSWZZRXZIH-QGZVFWFLSA-N 410.450 0.999 30 20 HCED CCS(=O)(=O)c1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1320830687 LGXFHGMYUPMNRA-MSUUIHNZSA-N 406.464 0.806 30 20 HCED COCC(=O)N(C)CC(=O)[C@H](C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1341905204 YIANYCBWWPVMNY-HNNXBMFYSA-N 413.434 0.237 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 1515188278 WPFFKYXXJXVDIX-UHFFFAOYSA-N 406.395 0.536 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCO1 1517540480 RGLFEJZAWPAYEY-MRXNPFEDSA-N 407.438 0.060 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCNC(=O)C2CC2)cc1 1555991090 OXYJYNSZFJWPSX-UHFFFAOYSA-N 423.477 0.581 30 20 HCED N#Cc1cn(CCC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(=O)nc1O 1625576404 LMBZBKKNGAWORA-UHFFFAOYSA-N 401.448 0.693 30 20 HCED CCC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1643222339 DGLGMYGHMJZHNU-UHFFFAOYSA-N 404.492 0.997 30 20 HCED COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1656572541 SMDWNMPCLZBCLV-QGZVFWFLSA-N 404.467 0.256 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CCO1 1711363506 PENZHEMBOCIPMB-OAHLLOKOSA-N 424.490 0.976 30 20 HCED N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CCO1 1731186609 FGVINEJNOGYAKA-QFBILLFUSA-N 403.414 0.876 30 20 HCED CN1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)C1 1769061476 XJRNIOBAXCPPBN-FQEVSTJZSA-N 401.515 0.711 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1778971917 RIQPVIRIEHPECR-XOBRGWDASA-N 405.451 0.509 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779051665 OKZYLSYDEIVIAF-JXXFODFXSA-N 401.467 0.145 30 20 HCED C[C@]1(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCCN1 1779066779 GQCLZTQSXMRCGB-IFMALSPDSA-N 403.523 0.657 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C4=NNC(=O)C4)CCO3)C2)c1Cl 1780190231 QTOKDIXICQUHGY-IBGZPJMESA-N 415.837 0.531 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780415660 NOEOCGFAABKZAT-IBGZPJMESA-N 418.454 0.648 30 20 HCED CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)ccc2F)C1 1781104955 ZRVAJDXOPFGEHK-WIYYLYMNSA-N 416.453 0.961 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1781268343 NTFAXWXCHGFGHL-HXUWFJFHSA-N 404.467 0.531 30 20 HCED 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402.520 0.406 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1788565608 MWWOYZDYDBXUOF-QEWYBTABSA-N 416.482 0.187 30 20 HCED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3Cl)[C@H]2C1 1789271473 ZGTYEJPUBBWDFK-XIRDDKMYSA-N 418.881 0.941 30 20 HCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccc1C 1789620495 ZMAWYBHQIVADBN-BQFCYCMXSA-N 400.431 0.685 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)ccc(O)c3F)[C@H]2C1 1790212826 YEHANFLVMVBLOI-MJVIPROJSA-N 408.357 0.352 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)[C@H]2C1 1792265492 GNVUIMWWTNKADD-RFSXOUPVSA-N 417.506 0.997 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc(Cl)nc2)c1 1792370273 TZZXQQCVBUNRBL-AGGWBTHJSA-N 400.826 0.847 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3ccnn13)C2 1792490969 WBWPEJJEDPKNIH-IBRLJDPESA-N 423.473 0.396 30 20 HCED 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PCUKEFLTUAZCMJ-UHFFFAOYSA-N 422.551 0.768 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833976559 GKKNJGLQFUQTPW-KXBFYZLASA-N 405.455 0.348 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1834421972 OSJKJCRLAMUFKJ-LJQANCHMSA-N 408.524 0.718 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCSCC3)CC2)CC1 1834602141 DAWNWRGTMNYBCI-UHFFFAOYSA-N 407.584 0.911 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1834755950 OGWHGRYPOSXJCR-IIBYNOLFSA-N 415.446 0.587 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834775998 AIYLOSHLGKOYJL-GLCJEOIMSA-N 406.479 0.756 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835173225 ZQJRKDYGLCVEHQ-NRFANRHFSA-N 402.447 0.990 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC(F)(F)F)CCO3)C2)c1 1835332840 FPJGJXQCCLFJAQ-MRXNPFEDSA-N 400.357 0.909 30 20 HCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835338945 ZVGQWUSXWDBWOK-FQEVSTJZSA-N 401.467 0.411 30 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COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)ccn1 1837974204 SCWSRPMVYODPTP-FQEVSTJZSA-N 402.451 0.710 30 20 HCED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1C 1838153356 GCSMRFFJBLIOPQ-NRFANRHFSA-N 415.494 0.975 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nn4)C3)C2)c1 1838906307 FZTOPGNWRGUZEC-OAQYLSRUSA-N 423.429 0.438 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1839172538 VHACSHQEGIWYAB-LAUBAEHRSA-N 424.494 0.521 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1839222580 SAMHCIUEUCOCGL-WAOWUJCRSA-N 424.542 0.728 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1839226825 FFXMFTSNWXOYFN-YWZLYKJASA-N 423.466 0.643 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1)C(F)(F)F 1839892230 ALDNAWJFAQVJNV-INIZCTEOSA-N 402.373 0.458 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840160619 NJASQKWFLVZIDH-DJJJIMSYSA-N 408.476 0.804 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1840173284 NMOUQKHYSYLQEX-FQEVSTJZSA-N 414.466 0.387 30 20 HCED C[C@H](Sc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840391039 QKVVNZAECHSALH-KXBFYZLASA-N 404.492 0.932 30 20 HCED Cc1cc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1840673646 RWKDNPFVWRNNHS-QFIPXVFZSA-N 414.458 0.770 30 20 HCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CCC3)CCO2)C1)C(F)(F)F 1840812518 VQZNLFXDGAWOJT-NVXWUHKLSA-N 419.400 0.450 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc(Cl)cn4)C3)C2)CCC1 1840812973 WGEMVLIUPZYRBV-IBGZPJMESA-N 421.885 0.687 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)CN2CCSCC2)C1 1841041046 PHMSGNYAYZLCFW-BAOGCXAUSA-N 410.540 0.768 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2C[C@H](O)CN2)C3)c(C(F)(F)F)n1 1843169810 FOGHTJHDYPHAJP-JSGCOSHPSA-N 423.395 0.512 30 20 HCED C=CCSCC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843997949 ALDYQSIBOMZCAI-UHFFFAOYSA-N 403.508 0.753 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cn2c(nc1=O)SCC2 1847806565 WRJNMGURJLPRJJ-BPUTZDHNSA-N 416.503 0.132 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 42766106 QGZNIYJNODPCAK-UHFFFAOYSA-N 401.492 0.889 30 20 HCED Cn1c(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C#N)c(=O)n(C)c1=O 301113067 WJDWMWAGSCTZKR-UHFFFAOYSA-N 421.379 0.937 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N2CCS(=O)(=O)CC2)CC1 432884873 PZVQXFLOKGFLDL-UHFFFAOYSA-N 405.436 0.779 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1 438712751 BLOKQLZWRVJZGW-INIZCTEOSA-N 420.404 1.034 30 20 HCED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441666063 FQLZPNVNRHBJGF-UHFFFAOYSA-N 411.384 0.796 30 20 HCED CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)NCCOc1ccc(C#N)cc1 442228256 IEVGUVTVVSFQNX-UHFFFAOYSA-N 416.459 0.942 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 443080888 VKSDJJJVLQLKDG-AWEZNQCLSA-N 421.928 0.978 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 446896294 LOEDEUIONAQFFZ-UHFFFAOYSA-N 408.418 0.348 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(Cl)cs3)c(=O)n2C)CC1 447278768 DXJJPLPTKATKQT-UHFFFAOYSA-N 422.963 0.829 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 461195030 MDOLLANFWOPYCX-INIZCTEOSA-N 406.508 0.673 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 461986925 ZANZQUNKFGFACH-UHFFFAOYSA-N 405.436 0.689 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 462732260 WZHRBCNJWXMGKV-UHFFFAOYSA-N 419.511 0.449 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 464692217 OVJCOIUNOYBVAQ-DTTOXWODSA-N 406.402 0.630 30 20 HCED N#Cc1ccc(OCCNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 469614064 VIOYYZPDAUBAQX-SFHVURJKSA-N 420.425 0.984 30 20 HCED C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471050508 OLLMESYCSMCSGI-WMLDXEAASA-N 414.462 0.816 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c1 472039060 UQNONKRBMBPNJM-HNNXBMFYSA-N 409.508 0.860 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)c1cn(CCC#N)c2ccccc12 472426066 ABKLGEPCTJDPJT-HNNXBMFYSA-N 416.503 0.973 30 20 HCED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 473439792 BMZNKQRXVQXVRX-UHFFFAOYSA-N 415.494 0.930 30 20 HCED CCOC(=O)c1c(NC(=O)N2CC(OCC(=O)N(C)C)C2)c(C#N)cn1CCOC 481487256 BGVXOGDMTKXVLS-UHFFFAOYSA-N 421.454 0.504 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCCN(c2ccccc2C#N)CC1 485715188 AHNPCPJMRACFAV-UHFFFAOYSA-N 401.492 0.826 30 20 HCED COCC(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486245470 XOGCVKKHRNVJBQ-SFHVURJKSA-N 413.478 0.596 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 489005256 DAQXNOWZFQBNCV-JKSUJKDBSA-N 411.483 0.592 30 20 HCED C=CCN(C(=O)NCC1CN(S(C)(=O)=O)C1)[C@@H](C)c1cccc(-n2cnnn2)c1 489492158 YTMRBLAMADRECK-AWEZNQCLSA-N 419.511 0.812 30 20 HCED C=CCN(C)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 494705114 YDQTWWVNAQIAKB-UHFFFAOYSA-N 401.467 0.677 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 504368792 AVQRNTYBMKTSBA-AWEZNQCLSA-N 415.494 0.859 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)n(C)c1=O 505685153 WRLPFIXCHVTVFK-UHFFFAOYSA-N 409.427 0.783 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(CC(=O)OCC)CC2)cc1 506632685 HUWXHGVLUXJGSM-UHFFFAOYSA-N 409.508 0.862 30 20 HCED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 506895544 ZDPZNJRQWMBIHV-LBPRGKRZSA-N 423.470 0.637 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1=O 510171735 CFMYJCKOORBUNL-OAHLLOKOSA-N 415.494 0.399 30 20 HCED N#C[C@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@]12C(=O)Nc1ccccc12 511514436 MCBCHFLLQQKLOQ-GJFWPVAJSA-N 422.445 0.562 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC(=O)c1ccc(C#N)cc1 521478757 UMOVPGALUXWVTQ-GFCCVEGCSA-N 414.443 0.323 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCc1cccnc1 524337560 QPYIRZZOLZULOW-UHFFFAOYSA-N 420.494 0.805 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 531018387 FAEWNGSRUFQTHV-IBGZPJMESA-N 419.441 0.916 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCCO1 534603132 MRZFOURQBKSSGV-OAHLLOKOSA-N 400.504 0.941 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)C1=O 544726609 VPUKSCLSLUDJHF-MRXNPFEDSA-N 413.521 0.634 30 20 HCED C=CCNS(=O)(=O)c1cc(-c2nc(CS(=O)(=O)N(C)C)no2)ccc1F 546374984 PSGUXXQOEZPFMU-UHFFFAOYSA-N 404.445 0.731 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 561453040 QGLHBXQRYZONET-UHFFFAOYSA-N 413.526 0.406 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1cc(C#N)ccc1NC1CC1 562858763 WWVQTVLBVYWKBH-UHFFFAOYSA-N 407.496 0.905 30 20 HCED C=CCOC[C@H](NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)OC 569655627 VCBZGHXPYZPUFP-KRWDZBQOSA-N 406.460 0.979 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C)O1 580017852 FYQLHUHEJAECMF-GJZGRUSLSA-N 411.466 0.693 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2ccc(OCCO)cc2)n1 583686247 VZKPZVCIDOJBLG-UHFFFAOYSA-N 406.402 0.765 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)n1 586838273 OTVSPVYVYZCQBR-UHFFFAOYSA-N 406.437 0.448 30 20 HCED COc1cccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 586840734 XIBZUXMURAJQRN-QGZVFWFLSA-N 407.430 0.495 30 20 HCED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(C2CCC2)C1 588825790 LXJJZKOVQYXIDF-HUUCEWRRSA-N 415.542 1.024 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4oc(O)nc4n3)CC2)cc1 590420538 PNZAFQUJTMYSSB-UHFFFAOYSA-N 413.415 0.947 30 20 HCED CC(C)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](N(C)C)C1 590565393 MNWAMQGLWAKREB-OALUTQOASA-N 413.522 0.981 30 20 HCED Cc1nc(SCC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C 603904942 ZOXKUVSXWBEMJE-AWEZNQCLSA-N 424.548 0.732 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 609549242 WIYZQPZXYLFDKG-UHFFFAOYSA-N 413.478 0.768 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)cc2)c1N 609668049 DWLMLILOBZNZGN-GOSISDBHSA-N 409.494 0.462 30 20 HCED C[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1c1cnn(C)c1 610307930 KBTKWBCBXWAIHK-CXAGYDPISA-N 415.475 0.517 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(C#N)cc1F 610782240 KKOOXLABNCTWKR-LLVKDONJSA-N 404.423 0.779 30 20 HCED Cc1onc(CC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1C#N 611528385 MOWKJEBQMOWISK-UHFFFAOYSA-N 404.452 0.513 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cc(CC#N)ccn2)cc1 611656333 QFCHDZLMJXFZBB-YOEHRIQHSA-N 416.459 0.919 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 619481793 IMJNHULEGRSRRV-MRXNPFEDSA-N 408.524 0.600 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(CC(N)=O)c1=O 677123542 GJIBAVWKKKBODY-UHFFFAOYSA-N 413.503 0.264 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1 728534708 UEOFICMNXXSBJN-UHFFFAOYSA-N 410.474 0.590 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 728570365 APBKJYHFQIPLHI-ZDUSSCGKSA-N 408.405 0.702 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 729764001 WOLPGDDYNNENKA-UHFFFAOYSA-N 400.428 0.404 30 20 HCED C#CCOCCC(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 756305531 ZCOLCEBCJTZOFW-ZDUSSCGKSA-N 412.464 0.856 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(Cl)c2)c1=O 758079292 JABFOSOHCMZGAV-CYBMUJFWSA-N 415.902 0.851 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(S(C)(=O)=O)CC2)C1 758759230 KTAQSWZTYUOXGZ-JSGCOSHPSA-N 400.501 0.964 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CC(=O)NCC#N)C1 759490966 YRLHAKRJCTVSSD-HOTGVXAUSA-N 407.515 0.854 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)C 763437003 XIWITRAKXHCKIA-UHFFFAOYSA-N 402.520 0.560 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763461035 QCNSVOHQNQMWIY-UHFFFAOYSA-N 413.547 0.544 30 20 HCED CCC[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1CCOC 767124199 XPHFHWSWNFPLKY-HNNXBMFYSA-N 408.524 0.684 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1[nH]c(-c2ccccc2)nc1C 771888548 DRYDGLRCJXIXSO-UHFFFAOYSA-N 416.463 0.485 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNC(=O)C2(C#N)CCC2)cc1)S(C)(=O)=O 773644849 JOZMCAFIFGOECZ-UHFFFAOYSA-N 415.493 0.601 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 775961697 RCLYGNTYIGVWFB-GOSISDBHSA-N 413.547 0.918 30 20 HCED O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 777908681 IKUHEHJKNVESRH-JTQLQIEISA-N 418.397 0.252 30 20 HCED COCCc1nnc(SCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)n1N 779761609 QXQNHWXAUKACGC-ZDUSSCGKSA-N 421.552 0.743 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CCCn3ccnc3)CC2)c1=O 782942226 FGVUOYFDGMLEDX-UHFFFAOYSA-N 414.510 0.890 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 783014315 XQTSUOGYPXICFP-UHFFFAOYSA-N 401.510 0.579 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c1 783465451 YHCVLDMFGTWDOR-UHFFFAOYSA-N 419.401 0.346 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)nc1 787288748 CNBKJTQJIJYPQL-UHFFFAOYSA-N 422.489 0.630 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cc(F)cc(F)c2)c1 795326131 XMCOEJLAKKSQIK-UHFFFAOYSA-N 423.397 0.974 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 799286020 CDLUDKVZAGNWKX-LJQANCHMSA-N 414.506 0.222 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)c1 807381865 MKFCOUPGKCLNMB-UHFFFAOYSA-N 406.460 0.575 30 20 HCED Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 808269980 NXHJFIKNCCZBJU-UHFFFAOYSA-N 422.492 0.157 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809501937 XPGRBXRMJDOXMV-GDBMZVCRSA-N 416.478 0.573 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H]3C[C@H]32)cc1 815696007 UUGZMRSTUDEPKY-GRYVTXCUSA-N 406.464 0.438 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 816022893 KHMFOEKXFNNVCV-GFCCVEGCSA-N 405.436 0.288 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 853232848 ISKBJNRLKZQHFN-CYBMUJFWSA-N 420.491 0.437 30 20 HCED Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 916896721 AWRIQRQYBPJONJ-CWRNSKLLSA-N 403.460 0.678 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnc(C)s2)c1=O 917768983 PRUHNDACRLSRLU-UHFFFAOYSA-N 418.544 0.883 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917781694 RXZSTLTUQRMMKQ-UHFFFAOYSA-N 403.508 0.147 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 917924101 PCLMCWIHTRPVKD-UHFFFAOYSA-N 421.500 0.835 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 919151712 BQQHUUBPWGFEEV-NSHDSACASA-N 415.443 0.576 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC[C@@H]1CCCO1 921172529 XWOOYBQUEBMDLD-ZFWWWQNUSA-N 409.464 0.719 30 20 HCED C=CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1040533468 WVSWDSOMHNHTDQ-KPQJVYGTSA-N 404.507 0.862 30 20 HCED Cn1nccc1[C@@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1301302206 WOODRVGHRZVDEX-IBGZPJMESA-N 417.491 0.542 30 20 HCED N#CCSCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1321634725 XFTFLRIPEVKIAI-GFCCVEGCSA-N 403.507 0.347 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cc(F)ncn2)CC1 1449990480 XVFDCWHEEDVYAP-CYBMUJFWSA-N 418.454 0.503 30 20 HCED CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1470360596 IYXHMJCQYZJRPI-DJJJIMSYSA-N 403.439 0.584 30 20 HCED CNC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1503740859 PDEAJSJHROLFGC-MRXNPFEDSA-N 404.434 0.872 30 20 HCED COCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1555569976 JBMBWQGJQYCQEM-KBXCAEBGSA-N 402.434 0.562 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1609507931 XZHGPGYLIKGBDN-ZDUSSCGKSA-N 412.516 0.358 30 20 HCED C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1611505566 LVWHGSZHPWBLSE-MRXNPFEDSA-N 409.494 0.864 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634188754 ZEQZLVBMYHFUEL-HRCADAONSA-N 406.464 0.165 30 20 HCED CC(=O)N1CCN(CCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1706006125 YSPMSMGVDLRTHR-QZTJIDSGSA-N 417.514 0.413 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1778967282 DWOJXWXQOSCYJW-HRAATJIYSA-N 409.527 0.552 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1778976724 SBOBLMZORXZTBG-IIBYNOLFSA-N 403.479 0.611 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)c1 1780250699 DCBUWXZGHRXHLZ-HXUWFJFHSA-N 411.393 0.538 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1781972937 MOEKMNSDQSXEEA-LJQANCHMSA-N 401.806 0.743 30 20 HCED CO[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1ccccc1 1782010565 NMOQXCWWXGVVKU-PIPMEXSNSA-N 414.458 0.976 30 20 HCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc3ncccn3n1)C2 1782179597 MAGLOQCUQVVJTM-SNUQEOBHSA-N 404.496 0.570 30 20 HCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1782185304 PUFNLODGIYBGMR-MBOZVWFJSA-N 424.611 0.599 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C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1840168181 CBQOATSRULBNCN-OAQYLSRUSA-N 401.463 0.964 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1841605387 ZAIQJGNDEVYCMY-KRWDZBQOSA-N 410.467 0.667 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1846650592 XIRLGSOYAHZRJH-RHLNUJDMSA-N 402.451 0.940 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(C#N)CC2)CC1 60893522 IMAGTLDPDFGIRG-UHFFFAOYSA-N 401.492 0.627 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(NC(=O)c3ccncc3)c2)CCO1 409567595 QKQBCUOJFYFPIX-KRWDZBQOSA-N 401.448 0.893 30 20 HCED C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS1(=O)=O 429532926 FISZRKOJUBTEBX-HOTGVXAUSA-N 410.565 0.966 30 20 HCED N#Cc1ccsc1N1CC[C@H](N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1=O 434588156 OWPLVOYQRFLFGD-HNNXBMFYSA-N 401.492 0.492 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)cc1 440138625 RAJCZMGRUNBNGB-UHFFFAOYSA-N 408.414 0.758 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1=O 440286861 ZCHXUVPTVIHXDO-DLBZAZTESA-N 414.462 0.988 30 20 HCED CCc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444502394 ORGRFSNTGHIGBU-UHFFFAOYSA-N 408.462 1.282 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)n1 444600714 ZSNCHWQQUAPURL-QGZVFWFLSA-N 414.441 1.064 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1 447774954 BHIFMOCYWXKLHH-UHFFFAOYSA-N 418.516 0.431 30 20 HCED CNC(=O)C(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 448399306 AUPCTNCXANWASE-UHFFFAOYSA-N 406.508 0.847 30 20 HCED N#Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 461204031 UYRZNZVKAINPSL-UHFFFAOYSA-N 404.448 0.716 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)C1=O 466500613 WOFBPRBELSEGKQ-HNNXBMFYSA-N 409.454 0.110 30 20 HCED C[C@H]1CN(c2cc(N3C[C@@H](CO)O[C@H](C)C3)cc(C#N)c2[N+](=O)[O-])C[C@@H](CO)O1 468728844 KLNBCSCDFNJTKC-OQUILHJVSA-N 406.439 0.638 30 20 HCED CC(C)[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)N(C)Cc1nnc2n1CCC2 473588730 QQTRFUBYUYJZME-IBGZPJMESA-N 410.482 0.702 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)COc2ccc(F)cc2F)CC1 476395940 XZMSBAHGRYIQJI-CQSZACIVSA-N 424.448 0.295 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 478847191 BOBKBYOIARPIDE-UHFFFAOYSA-N 409.446 0.553 30 20 HCED C[C@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 480455107 SQWRJBKMWZFYIK-OWCLPIDISA-N 408.524 0.841 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 489690410 VXUFWRGTPDWOPB-UHFFFAOYSA-N 405.473 0.370 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC(=O)c2ncccc2O)CC1 509965075 XTAAQOBEWYAAOX-UHFFFAOYSA-N 422.401 0.985 30 20 HCED COc1cccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c1OC 510112945 NBLWUBQLOBKRKK-AWEZNQCLSA-N 410.496 0.940 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 512545287 MYXKZXAZFALSSR-UHFFFAOYSA-N 413.459 0.493 30 20 HCED N#Cc1ccc(-n2ccc(NCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)c(F)c1 541078408 JMJZUQLOYGCEQN-GFCCVEGCSA-N 420.426 0.308 30 20 HCED CN(CC(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 541169228 FNPAMYJYRRLGKH-KRWDZBQOSA-N 416.434 0.849 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 543258742 OYAWUADSNCLBHT-LSDHHAIUSA-N 404.467 0.747 30 20 HCED CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)C(=O)N1CCC(C#N)CC1 550255088 VBFAEZHIJZLCHU-UHFFFAOYSA-N 406.508 0.893 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 555710671 OSFPXDBFOJKNKI-UHFFFAOYSA-N 419.526 0.514 30 20 HCED N#Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1F 560063378 GZUQYQREYLSQTN-UHFFFAOYSA-N 417.466 0.974 30 20 HCED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)nn1-c1ccc(F)cc1F 561830605 SQEYBPRRKYNRLQ-UHFFFAOYSA-N 400.349 0.677 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H](C)S1(=O)=O 574423352 CMWSESYZOPGRMF-DZGCQCFKSA-N 409.512 0.401 30 20 HCED CN(CC(=O)N1CCC(CS(C)(=O)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 583647083 FSRBISQOCATWCY-UHFFFAOYSA-N 413.521 0.462 30 20 HCED Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868402 LPPTVMZYDUPIIH-IAGOWNOFSA-N 421.461 0.268 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(N)=O 589157494 KABIYSLFDSFRFL-LBPRGKRZSA-N 413.499 0.830 30 20 HCED COc1ccccc1C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 610664183 JFZKYKLGPDXONT-UHFFFAOYSA-N 410.434 0.728 30 20 HCED N#C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 615823358 IADXGUJRTKZAEZ-INWMFGNUSA-N 401.847 0.928 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)NC2CCN(CC#N)CC2)c1 619749804 RLIRLISDIVGCEL-UHFFFAOYSA-N 414.553 0.983 30 20 HCED CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 726167272 DZRCYUIKRJUVKS-AWEZNQCLSA-N 406.508 0.736 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 726682556 RZPNRCCSIGPDPM-DZGCQCFKSA-N 403.435 0.987 30 20 HCED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(/C=C\C)cc2OC)CC1 728571978 RQJHKCPFSWIKRI-UTSMFGRCSA-N 401.507 0.835 30 20 HCED COC(=O)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 728689092 JWISPVHRWUGDBZ-OQCHKFKFSA-N 424.479 0.905 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730405464 HDKZVIJPQZCTKQ-UHFFFAOYSA-N 405.823 0.904 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 732662884 CFXMLLOMAXLHKS-UHFFFAOYSA-N 417.560 0.477 30 20 HCED Cc1nnc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1C 733152504 YBFJHNZPRZWIDF-AWEZNQCLSA-N 404.496 0.893 30 20 HCED C[C@H](CC(=O)N1CCN(c2ncccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742469208 RBYSANPMBHMOQG-CQSZACIVSA-N 414.491 0.643 30 20 HCED C#CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 743693415 VOUNWJLEMVLEMM-UHFFFAOYSA-N 406.464 0.447 30 20 HCED NS(=O)(=O)Cc1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 745474262 DNMXLFQLKPZWRT-UHFFFAOYSA-N 422.488 0.542 30 20 HCED C[C@@H]1C(=O)Nc2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)ccc2N1C 750708023 JOHUKNGPPMNKLI-DGCLKSJQSA-N 404.448 0.043 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccccc1 751003614 GMBJTTABPVYYDA-UHFFFAOYSA-N 424.460 0.864 30 20 HCED COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1cccc(C#N)c1 751657157 LTRWJABQTNZRKT-KRWDZBQOSA-N 420.447 0.726 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)NC[C@@H]2C1 752752086 HZFYZDBAFRLGGD-HIFRSBDPSA-N 419.507 0.376 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(CN3C[C@@]4(CCOC4)CC3=O)CC2)cc1 756848015 NMXZPKWQKHOWAB-LJQANCHMSA-N 404.492 0.461 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 756894660 ODBBWSMDEXXSJK-CMPLNLGQSA-N 414.509 0.813 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1Cc1ccon1 765143774 ABQNIVUKYQIHKQ-UHFFFAOYSA-N 424.486 0.529 30 20 HCED COCCCS(=O)(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 770179582 NXZNMTBFIFARDN-UHFFFAOYSA-N 410.496 0.414 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)CO)cc1 771244723 WPXAUGKVSHSXBW-RCCKNPSSSA-N 410.496 0.573 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@@H](CC)N(C(C)=O)C[C@H]1CC)c1cc[nH]n1 772337237 GHLGMSDGPYJPBS-HUUCEWRRSA-N 407.471 0.941 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCCO1 773797290 QZKSRRMGSHJVBU-HOTGVXAUSA-N 405.476 0.671 30 20 HCED N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 776116209 LINCZCQYVHEIBD-JCVNQNCUSA-N 418.475 0.539 30 20 HCED CC(=NNC1=NC[C@H](C)N1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 779797319 FJOYABHKPKSGQU-LBPRGKRZSA-N 407.496 0.833 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CC 782639644 FAJXVDAYDZNMKU-UHFFFAOYSA-N 424.324 0.455 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 783348268 VTIGCEHAGIJJOB-UHFFFAOYSA-N 413.883 0.888 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 783479995 HXOBWHWRMOCDFX-HNNXBMFYSA-N 423.466 0.250 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1 785279011 BTECWRXHPYZZRJ-QAETUUGQSA-N 414.414 0.589 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CCCN(S(C)(=O)=O)C2)c1 786492438 RAFCVFBMANQQRD-CQSZACIVSA-N 414.505 0.427 30 20 HCED CNS(=O)(=O)c1cc(C(=O)OCC(=O)N(CCC#N)CCC#N)ccc1OC 787550837 PNPOHMZSJJQUPL-UHFFFAOYSA-N 408.436 0.416 30 20 HCED Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787776317 DXPALEFWUNSEDZ-JKSUJKDBSA-N 411.466 0.187 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O 788320241 OBTMOFITAABENA-GOSISDBHSA-N 400.479 0.385 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793501371 ZBMJZVHWQCQHPQ-KRWDZBQOSA-N 415.538 0.715 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)n1 793907887 DMZSEWJAGWJRFF-GBESFXJTSA-N 417.554 0.974 30 20 HCED CCOC(=O)c1ccc(Br)c(S(=O)(=O)NCC(=O)NCC#N)c1 796216078 BCHJIEPXIUEFMO-UHFFFAOYSA-N 404.242 0.544 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 796565556 CMVKQEQHJMLYAH-INIZCTEOSA-N 410.492 0.740 30 20 HCED C=CCN1CC[C@@H](OC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 798585857 OAIRLGKOVWZLCT-CQSZACIVSA-N 412.424 0.374 30 20 HCED C#CCC[C@H](O)CNC(=O)CNC(=O)c1ccccc1I 799081145 HFBFGANFLLWCBW-NSHDSACASA-N 400.216 0.912 30 20 HCED NS(=O)(=O)c1ccccc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 805308696 CYFSUCBOUJSKNC-UHFFFAOYSA-N 422.488 0.079 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2S(N)(=O)=O)cc1 805308797 FFUDUMHYOQLPBA-UHFFFAOYSA-N 407.473 0.176 30 20 HCED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCCn1cnc(C#N)n1 807511712 CBVOCCPTQJKWPE-UHFFFAOYSA-N 406.491 0.344 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@]2(C)CCOC2=O)cc1 810480016 SKPYHYWUNFADKD-SBGXLDQMSA-N 422.463 0.260 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCN(CC(C)(C)O)CC3)nc2)CC1 814214743 HVYRWHXUUADVHW-UHFFFAOYSA-N 424.571 0.652 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 816099654 YZPQMTBVLHQSKY-QWHCGFSZSA-N 401.485 0.455 30 20 HCED COCCn1cc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)ccc1=O 816127330 OVKMDVDSGPLDEQ-UHFFFAOYSA-N 406.376 0.393 30 20 HCED C#CC[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 816674187 SNXNQNOJHPVVHW-KRWDZBQOSA-N 421.519 0.109 30 20 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HCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1833662384 XLPDAKLHGWXBCO-NRFANRHFSA-N 413.478 0.521 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1835362834 VKRPKUTZTMUNTF-HXUWFJFHSA-N 405.426 0.965 30 20 HCED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835389137 HAMPOQJOLWXQDK-NRFANRHFSA-N 418.469 0.719 30 20 HCED Cn1cccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673191 YHEGHQWDPWNSQW-NRFANRHFSA-N 417.510 0.377 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1835679878 BRBWKIKOSLHFFL-HRAATJIYSA-N 415.494 0.888 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835998975 FKAYPAOMDDXPJV-UWJYYQICSA-N 403.479 0.517 30 20 HCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1F 1836234134 KECYLAOPQKWLPX-NRFANRHFSA-N 417.437 0.713 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1837310519 VPXUSEOWHOEMTC-YWZLYKJASA-N 404.467 0.087 30 20 HCED 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C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840227631 WPBCWRVGTJIHQD-VGSWGCGISA-N 421.538 0.961 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1840841985 GLUUUQSYFDLJKF-VFNWGFHPSA-N 400.479 0.943 30 20 HCED N#Cc1cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](N)CN)C2)ccc1Br 1843350188 OZVPOJJHQOKQDA-AWEZNQCLSA-N 406.284 0.424 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)c1 1844298519 WBKIWEFNBDNBNZ-OXQOHEQNSA-N 412.490 0.781 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1845252999 IPVDQXJJZDQABO-HNNXBMFYSA-N 414.528 0.416 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN(C)C(=O)C(=O)O)C2)c1 1845810851 KDLABRVPSHHGSK-AWEZNQCLSA-N 412.446 0.674 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1847810246 JTSXZTJSXHJOES-OTRWWLKZSA-N 401.467 0.388 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 437422982 DBKCESJOPBVYPP-UHFFFAOYSA-N 424.509 0.562 30 20 HCED C[C@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H](C)O1 438778583 MNECHCJNVFXCBU-UXLLHSPISA-N 416.526 1.548 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1 438918736 HLYBWIHUFWWPSD-QGZVFWFLSA-N 405.524 0.876 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 441724448 DCTTUIKZMFPWBM-IAGOWNOFSA-N 402.499 1.158 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 445205782 SAKLEECUWNOOEJ-HNNXBMFYSA-N 418.494 0.826 30 20 HCED N#Cc1cccnc1OC1CCC(NS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 445723168 JSTPCFLQSSFSPC-UHFFFAOYSA-N 414.509 0.208 30 20 HCED CCOC1CC(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)(N2CCOCC2)C1 447425137 AKFGUEKNFYMLQD-UHFFFAOYSA-N 412.490 0.833 30 20 HCED C=C[C@@H](C)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 465115478 OQSBQNGIINTSPE-OAHLLOKOSA-N 411.462 0.745 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CCOC)CC2)cc1 475424130 RJGQVHONNPLUPC-UHFFFAOYSA-N 417.466 0.640 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(C#N)CCCCC1 475525163 CINJENFICADGPB-CQSZACIVSA-N 405.542 0.415 30 20 HCED CN(C)C1CCN(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 481998763 MGQMWPNPYDLDQL-UHFFFAOYSA-N 407.540 0.634 30 20 HCED N#Cc1cccn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O 499023843 LZKLXGIICNCXFU-UHFFFAOYSA-N 402.432 0.380 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 509570705 IZKLRGATWUYPDW-UHFFFAOYSA-N 407.496 0.322 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC(C)(C)C#N)c2)CC1 510703720 LNMRPJRJYXNNCJ-UHFFFAOYSA-N 407.496 0.227 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNc3cnccn3)CC2)cc1 510781227 SXJNTUHAVGGJJV-UHFFFAOYSA-N 414.491 0.977 30 20 HCED C[C@H]1CSC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512209421 AXXOIHNCUWHRMS-HOCLYGCPSA-N 408.549 0.732 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003494 PAPMEBLNZKMQLP-ACJLOTCBSA-N 405.480 0.371 30 20 HCED C[C@H]1Oc2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2NC1=O 527089880 DMYRPYWXBJYABE-SNVBAGLBSA-N 411.422 0.613 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)cc1OC 527441126 DGPPNXRSWVXGQN-XOUADPBQSA-N 415.402 0.457 30 20 HCED CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)C1=O 539207176 AARCSDNYZFURNC-UHFFFAOYSA-N 421.360 0.641 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)n1 540279406 ZJGWGUALDFVLEY-UHFFFAOYSA-N 411.470 0.003 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)CC1 551190797 SMTXGDSVBWCSLR-UHFFFAOYSA-N 416.445 0.880 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1C 553970287 ROCOYWHLHVDYLX-UHFFFAOYSA-N 417.495 0.483 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)NCc1ccccc1 555026225 VKYUEKSQCIZXSU-AWEZNQCLSA-N 417.429 0.899 30 20 HCED COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)NCC#N)cc1 557782083 HQQXKQGDANBDCX-UHFFFAOYSA-N 402.432 0.866 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 564250229 BUYWUIWNNLSZRP-FQEVSTJZSA-N 407.478 0.533 30 20 HCED CN1CCC(n2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n2)CC1 564524709 HYPWBVVXDKQNLY-UHFFFAOYSA-N 402.480 0.938 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 588949260 NAMHMCXCXZOQGL-INIZCTEOSA-N 421.860 0.805 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2=O)C1=O 607547889 PXZIBIBOXMCTAC-CYBMUJFWSA-N 418.837 0.928 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 608230176 IQGVVVGXNMNYAV-CXAGYDPISA-N 417.491 0.808 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nnnn1-c1ccccc1 610684052 XTXIQPQSOPBFIC-CQSZACIVSA-N 404.438 0.744 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 610808253 BVAANKKNMPIDOM-SJLPKXTDSA-N 419.551 0.463 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 618149931 XBMSSIDTKWSYTJ-GOSISDBHSA-N 417.897 0.987 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCc3[nH]c4ccccc4c3C2)C1=O 726043392 NOWPXLORGTYWLA-UHFFFAOYSA-N 424.413 0.573 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 728534422 LLYFSQCEYPSBOG-UHFFFAOYSA-N 402.882 0.974 30 20 HCED C=CCc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1OC 728698582 OOJSZXSMZPZYBT-DLBZAZTESA-N 424.519 0.660 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1 729226200 ZIVYVDBYSXPTIV-GFCCVEGCSA-N 410.452 0.227 30 20 HCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 731851098 HCPZRAMYPGLRAN-FOCLMDBBSA-N 413.477 0.203 30 20 HCED O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 731863073 PSGJIKUJZPVBAF-YXFNHTKGSA-N 418.475 0.609 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(=O)OC)c2C)CC1 735921234 BIDVWEYFMLDPMD-UHFFFAOYSA-N 407.492 0.227 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 737169127 WXXSMEDMABBDIV-MRXNPFEDSA-N 412.490 0.838 30 20 HCED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1COc2ccccc2O1 741340360 LUVNEIJCLMYINF-YSGBTYPNSA-N 415.402 0.402 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 742500138 DEHQXECMPWBPRG-NSHDSACASA-N 419.463 0.897 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)cc3)c2=O)cn1 743727253 GUFSJSKQMJZSGH-UHFFFAOYSA-N 407.455 0.777 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)OC)CC1 746809431 FDEQKIXFGKEFEH-AWEZNQCLSA-N 405.426 0.872 30 20 HCED CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 747018981 SNVOYBRDSMELBY-HDHZYAPQSA-N 424.523 0.961 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 747545977 MONVEQGARQHROY-WUKNDPDISA-N 419.463 0.775 30 20 HCED CCCCNC(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748753588 ZUQMQGBIDFSHEE-CQSZACIVSA-N 424.548 0.933 30 20 HCED C#C[C@@H](CC)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 754379102 HELOLIWDDUDRGU-ZFWWWQNUSA-N 420.940 0.950 30 20 HCED CN1CCN(C(=O)CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758336264 DHBHUSXQLGKKDZ-CABCVRRESA-N 408.503 0.209 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 758779434 VNTDJESPROTOEN-ZBFHGGJFSA-N 420.514 0.351 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1 761033486 XOTCLDDLJGNMEI-UHFFFAOYSA-N 404.945 0.445 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)oc2C)c1=O 767957351 CWNMBUGFDJJGKK-UHFFFAOYSA-N 419.503 0.422 30 20 HCED Cn1cnnc1[C@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 768011358 GOVBRLZCPBVOFX-CQSZACIVSA-N 402.480 0.998 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2cn(CC(=O)OC)nn2)c1 770700340 JPZHEDICFRTCDN-GFCCVEGCSA-N 406.420 0.281 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)NCc1ccccn1 773971223 NIHCVHXRZAPHCL-UHFFFAOYSA-N 415.475 0.333 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NS(=O)(=O)CCCC#N)s1 776117221 LKMQZPUFQWDJLZ-GFCCVEGCSA-N 405.523 0.959 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1 778834610 BWERZYPUAMDCEL-JPGOUWDJSA-N 422.507 0.714 30 20 HCED CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCC1)C1=NS(=O)(=O)c2ccccc21 779319259 YEOISCBLGVCZIS-UHFFFAOYSA-N 424.504 0.597 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC)c(F)c2)CC1 783319073 NUOLTGQMTKTSKQ-UHFFFAOYSA-N 404.398 0.931 30 20 HCED COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NCC#N)c1 785392981 OOWRSOMFUZMAEH-UHFFFAOYSA-N 419.415 0.998 30 20 HCED C[C@H](CC(=O)OCc1nc(-c2nc[nH]n2)no1)/N=C1/NS(=O)(=O)c2ccccc21 787722518 RCVGXDTXJHWMSE-SECBINFHSA-N 417.407 0.415 30 20 HCED N#Cc1ccnc(N2CCC[C@H](OC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)c1 791976013 PBRVBBKSVZAALL-DPMWRWFOSA-N 410.430 0.628 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nc1 792392584 BOCKPXXOMFVGCK-DGCLKSJQSA-N 424.483 0.870 30 20 HCED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)[C@H](C)n1cnc(C#N)n1)n2CC 798740272 PCXHZYHIFWSXCW-NSHDSACASA-N 414.426 0.886 30 20 HCED COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)[C@@H](C)Oc1ccccc1C#N 802892179 JPNYRLJVSWHQKY-LLVKDONJSA-N 403.416 0.938 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)N(CCC#N)c2ccccc2)CC1 803935984 VXDPTURHZIQQGC-UHFFFAOYSA-N 408.480 0.653 30 20 HCED C#CCNc1nc(NCCN2CCCOCC2)nc(NCCN2CCCOCC2)n1 804640012 ADXYWRWNVSJOLE-UHFFFAOYSA-N 418.546 0.185 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)C(C)(C)C 808316030 OPTDNVVZAFMFJQ-XHSDSOJGSA-N 400.545 0.716 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@]1(COC)CCCN1C(=O)OC(C)(C)C 849051599 QCXSCMPFZQUWGL-FQEVSTJZSA-N 413.563 0.900 30 20 HCED CS(=O)(=O)Nc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Cl 1116025216 KHICZUBELXHUSF-JQIJEIRASA-N 412.855 0.968 30 20 HCED COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1209213198 IRNOHLMEVHPMIZ-UHFFFAOYSA-N 424.523 0.634 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 1256505169 PXAQISLQEHNHDR-BUHFOSPRSA-N 417.388 0.613 30 20 HCED N#Cc1cccc(-c2nnc(N3CCOCC3)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1302989858 QWLWELIWSWSRBF-GOSISDBHSA-N 403.464 0.203 30 20 HCED COc1cc(C=Nn2c(S)nncc2=O)ccc1OCC(=O)N1CCOCC1 1320925069 HBBRPVJDESXFFE-UHFFFAOYSA-N 405.436 0.055 30 20 HCED Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1325130529 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423.535 0.410 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)C1 1839069279 UYSZMUDFIVHCLO-LAUBAEHRSA-N 404.511 0.478 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1839174534 HUYJOJWPNLVDFY-OXQOHEQNSA-N 410.467 0.131 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1839222622 TWUVTTFQOJIOAX-JXXFODFXSA-N 413.515 0.651 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1839228988 VOXYZUDICORDHH-QKLQHJQFSA-N 421.498 0.701 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839679736 OSKIEVUOAZRSNS-BXWFABGCSA-N 401.573 0.739 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1)C(F)(F)F 1839892519 QZHLBBJPFDELBJ-OAHLLOKOSA-N 420.413 0.914 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1cccs1 1840377820 YFQGTLDFXNQABN-LIRRHRJNSA-N 406.460 0.396 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561463 LKVDNXACDLILHW-QFIPXVFZSA-N 418.490 0.446 30 20 HCED Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1840693135 WWMRENDGXBYRDT-HXUWFJFHSA-N 420.849 0.806 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(C)=O)C2)C1 1840912777 QPDNFKSAKRWBMV-TYCQWZJGSA-N 423.510 0.932 30 20 HCED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccccc1 1844334640 LLLAHCSECADWBC-ROUUACIJSA-N 422.485 0.985 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cnncc2C(=O)O)C1 1844459817 UQXGJMPKODOSCR-UHFFFAOYSA-N 402.407 0.501 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845211102 GMAXQPPOAHCSMU-HNNXBMFYSA-N 411.499 0.668 30 20 HCED COc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc([N+](=O)[O-])c1OC 1846196560 OEJJJBBJOHJNLS-UHFFFAOYSA-N 417.374 0.517 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H]3CCNC(=O)C3)C2)c(C#N)c1 1846423608 MVFZFBWIATYLTH-MRXNPFEDSA-N 410.474 0.839 30 20 HCED O=C(NCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/N1CCCCC1)c1ccc[nH]1 1848179239 UFSMZLDJQNRPGU-WGCRICIGSA-N 414.510 0.808 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)N(C)C1(C#N)CCCCC1 19611031 LEPMXKVEZXYLCK-UHFFFAOYSA-N 412.468 0.798 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 50170727 FJRUISWQZBFKTC-UHFFFAOYSA-N 409.450 0.234 30 20 HCED C[C@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 143179059 VCEUYBRNTPZJJF-CQSZACIVSA-N 409.468 0.519 30 20 HCED CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 409484235 KLFNIQXNCWBKQJ-MRXNPFEDSA-N 423.539 0.978 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCCN3CCCO[C@@H](C)C3)CC2)c1C#N 433469457 KXYKVBMCPRDNTQ-INIZCTEOSA-N 403.531 0.933 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(CN3CCOCC3)CCCCC2)C1=O 434150926 CTIBRYMPDXGMBQ-UHFFFAOYSA-N 406.483 0.362 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 438623038 WJFKNOLBAHFOTB-FWZYHVLFSA-N 424.457 0.922 30 20 HCED C=CCN(CC(=O)N(CC)CC(=O)NCc1cccs1)[C@H]1CCS(=O)(=O)C1 440299717 YIBZXJMHHFNQMQ-HNNXBMFYSA-N 413.565 0.888 30 20 HCED CN(CC1(O)CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442570984 JYEDNRQJJYBPJG-UHFFFAOYSA-N 401.398 0.821 30 20 HCED C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 445164810 QFGOFRJSJWSMKH-GFCCVEGCSA-N 414.384 0.963 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2CCc2ccccc2)CC1 446735654 PQJBVRAFUDXWGF-UHFFFAOYSA-N 424.505 0.511 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 465423655 NMEFIGOFUVBEEZ-UONOGXRCSA-N 408.480 0.730 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)c1C#N 472116522 YQTBNQUGHPXQSG-UHFFFAOYSA-N 423.543 0.151 30 20 HCED C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 474790631 CZSAKLBLOSZVAQ-HOTGVXAUSA-N 404.533 0.260 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 475726160 HAABNIIQIONQCQ-GOSISDBHSA-N 411.524 0.670 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 481912323 WGAOFCBYGSAWFT-MRVPVSSYSA-N 402.358 0.678 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 482753231 ORCIBGGWBGNUFC-KMFMINBZSA-N 409.508 0.869 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486653769 SNQDYSOWLAJNMJ-ZDUSSCGKSA-N 420.472 0.881 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cnc(C)c(C#N)c2)cn1 489829976 LNZITRCOIMKJIS-MRXNPFEDSA-N 409.493 0.639 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508506997 RRFSNVFYOVQGBF-HOTGVXAUSA-N 424.571 0.403 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2)c1 509003400 XEDMBIGZQSKXIO-UHFFFAOYSA-N 418.409 0.567 30 20 HCED CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1 511903744 CMOHJFXUJAONEF-OAHLLOKOSA-N 421.523 0.856 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CCC#N)CC2)CC1 513150163 PFXYYUHGYNLMFN-UHFFFAOYSA-N 400.549 0.136 30 20 HCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 515986150 XWKXJHPUOKRQLK-UHFFFAOYSA-N 404.430 0.939 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2cnccn2)CC1 525171865 UPYSCEYWRISAPQ-UHFFFAOYSA-N 403.489 0.973 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)COc1ccccc1 532221735 XBFUMXNAARMMOV-GDBMZVCRSA-N 403.460 0.781 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1ccccc1 532221737 XBFUMXNAARMMOV-HOCLYGCPSA-N 403.460 0.781 30 20 HCED COCC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537161763 XOUPRTDIUDVPKD-INIZCTEOSA-N 405.524 0.248 30 20 HCED C=CCOc1cccnc1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 540453850 KAOWNAPRPSXFPF-UHFFFAOYSA-N 405.480 0.963 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)[C@H]1CCS(=O)(=O)C1 540599534 POJBUKGMCIGOJT-HNNXBMFYSA-N 416.521 0.115 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(Cn4cncn4)c3)CC2)n1 544867456 MZHRQBGONNWBSI-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 550821423 DSTDOQALNYOPMB-UHFFFAOYSA-N 423.314 0.091 30 20 HCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc1 551622376 ZJXXFVDABKNVNT-CYBMUJFWSA-N 410.496 0.946 30 20 HCED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1nnnn1C 558981517 BPIBHZSHJWNISR-UHFFFAOYSA-N 406.454 0.928 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)C1=O 561271927 BATVMPCUTCDXSH-KRWDZBQOSA-N 410.478 0.746 30 20 HCED C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 572516987 VKKUYHINZKHJKF-QAPCUYQASA-N 413.478 0.007 30 20 HCED C=CCC[C@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 574546935 IGSZEJLFHNFMIU-KRWDZBQOSA-N 411.466 0.168 30 20 HCED CN(C)CCCOC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 577549623 UEXUJEUYTJGSFT-UHFFFAOYSA-N 408.524 0.796 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 578939727 MNNUJTSIXUXXDS-KRWDZBQOSA-N 424.505 0.844 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 581347985 YMDWCRLYKNRHQS-LLVKDONJSA-N 408.299 0.633 30 20 HCED N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)o1 583223713 ITYWAXCNHRFIDR-MRXNPFEDSA-N 403.416 0.966 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 588628120 ZIJYGHOWFZHKKC-UHFFFAOYSA-N 422.283 0.492 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2c(N)nc(C#N)c2C#N)CC1 603476577 GKBYJGRKRUIXEB-UHFFFAOYSA-N 420.477 0.608 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2)CC1 603883136 JYANCCLCBRZHAR-GOSISDBHSA-N 422.532 0.668 30 20 HCED Cc1ccc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 728922174 OMZRNSDOONIVRM-HNNXBMFYSA-N 423.491 0.933 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCSCC(=O)OC)cn1 729818544 XCUYITDBQQOERU-GFCCVEGCSA-N 413.525 0.877 30 20 HCED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909752 FNQDKRAWSLFKTJ-WFASDCNBSA-N 423.878 0.659 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=S)NCCNS(C)(=O)=O)ccc1OC 733209216 RKUQPBXLIWTTGX-CYBMUJFWSA-N 400.526 0.889 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C2CC2)c1 737308054 WDLGUAXZIHYNOO-QZMYASAMSA-N 422.507 0.715 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739829217 DKHRJZOXQQTCGO-UHFFFAOYSA-N 404.835 0.906 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 740518462 GKONMTPFXVFJKP-UHFFFAOYSA-N 418.519 0.170 30 20 HCED COC(=O)[C@H](CCC(=O)N1CCN(CC#N)CC1)NC(=O)OCc1ccccc1 747902487 RUKQLYWEKXWNEV-KRWDZBQOSA-N 402.451 0.902 30 20 HCED C[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 748139155 GEDAQOPAIQGAEL-AWEZNQCLSA-N 405.476 0.980 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)C1=O 753120184 ANYYAMFQQLLTMT-UHFFFAOYSA-N 414.462 0.731 30 20 HCED COCCNS(=O)(=O)c1ccc(CNc2cccc(S(N)(=O)=O)c2C#N)cc1 754979319 ZZOPQMOODVPOMZ-UHFFFAOYSA-N 424.504 0.742 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 755555719 XQZUIAHDVZWNCU-UKRRQHHQSA-N 415.450 0.860 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)ccc2OC(F)F)c1=O 758074776 CAGDNXGDIGYXFI-UHFFFAOYSA-N 419.409 0.402 30 20 HCED CCOCCS(=O)(=O)NCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 758350154 AJLZQWLQNGTCGW-UHFFFAOYSA-N 403.844 0.649 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)nc1 759021882 HNJUXJOTTNRZTO-UHFFFAOYSA-N 404.434 0.954 30 20 HCED C=CCN(CC(=O)O)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 762053650 VMBBUTPYMCFLLC-UHFFFAOYSA-N 412.464 0.358 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 763399382 BJSXVDYKKIJGQN-CVEARBPZSA-N 409.450 0.365 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnnn1-c1ccccc1 766344428 XDGMENBCXKFJNB-CYBMUJFWSA-N 412.431 0.944 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 766986551 HDOVCXVCRWKCRI-IACUBPJLSA-N 419.459 0.935 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)COc3cccc(C#N)c3)ccc21 774930889 RLGMBBLKBSWZGE-UHFFFAOYSA-N 400.416 0.633 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 776143793 JKTYPQUUEOJEIR-RWMBFGLXSA-N 415.537 0.889 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C)nn2-c2ncccn2)c1 783463911 JJNCOOVBCLCJSE-UHFFFAOYSA-N 403.402 0.645 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[C@H]1CCCO1 788042057 WZSWNUPPHSZORB-NHCUHLMSSA-N 412.534 0.920 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)c1C#N 793446278 DTUYAABUHXLULA-JKSUJKDBSA-N 412.475 0.943 30 20 HCED COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 796243990 ZKHFGVCHVKGDMJ-KBPBESRZSA-N 418.516 0.807 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1=O 798565386 ZRRMIPBZTGODHG-MRXNPFEDSA-N 412.439 0.790 30 20 HCED COCCN(CCC#N)S(=O)(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 800131386 VWDRHEJHMJIZQW-SFHVURJKSA-N 423.495 0.541 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2CCN(C3CC3)CC2)n1 809865836 BLGKXYKJTJSPGO-UHFFFAOYSA-N 401.511 0.482 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 810774608 LBXAGWHBWHCSFH-JXMNSVBMSA-N 403.460 0.259 30 20 HCED N#CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 819879080 SKFWJQQVEUIBMT-UHFFFAOYSA-N 404.788 0.100 30 20 HCED 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419.522 0.882 30 20 HCED CC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1830526234 SOHPFHJICKBPKT-WIYYLYMNSA-N 419.453 0.467 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1831219271 SXSCGEZUEYWJPA-JOCHJYFZSA-N 408.458 0.818 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1831221471 NDHPWNHQADHFGG-NZQKXSOJSA-N 409.486 0.893 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1831388594 ZOWIRCGENALCOV-AVRDEDQJSA-N 415.490 0.509 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1831391512 PNNQKKHWNPFYGD-UZLBHIALSA-N 404.467 0.011 30 20 HCED C[C@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831487659 LIQKJWVQCPLYRH-RDJZCZTQSA-N 401.573 0.211 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cc(F)ccn4)CCO3)C2)CC1 1832847532 JOCJRYVVHDFGRW-NRFANRHFSA-N 416.453 0.913 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833535725 IULBKXKZNWJSRQ-HNNXBMFYSA-N 402.423 0.820 30 20 HCED 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HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837396767 JOYJFHASRUQJAF-GCJKJVERSA-N 423.554 0.502 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837403624 WOHGMVZZHORFEJ-LAUBAEHRSA-N 408.495 0.710 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC=CO3)CCO2)C1 1837416057 WMLZVOMZMIQTFB-UWVAXJGDSA-N 409.483 0.936 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)cn1)CCO2 1837829688 BSONDOCLHMLAIV-KRWDZBQOSA-N 408.252 0.547 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)cc1 1838952525 ALXXZVRMYIUKMK-JOCHJYFZSA-N 423.473 0.984 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624086 RRDDTMMVTGDBJS-IBGZPJMESA-N 416.413 0.242 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)C2)C1 1839809131 REXUFBDFHUPYQR-SPLOXXLWSA-N 413.430 0.109 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1)C(F)(F)F 1839892177 XWZVIUROEOFEHQ-MRXNPFEDSA-N 402.373 0.609 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1840168912 XULIPVDLUAWMKU-OAQYLSRUSA-N 411.462 0.831 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@H](S)C(C)C)C2 1844284759 OWJFDSJRGPDSGX-LSDHHAIUSA-N 400.497 0.639 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncn(C)n1)C2 1847069978 BYGXUZWAMXFITA-AWEZNQCLSA-N 416.482 0.549 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1 410141361 FUSDLMXBLSPRGL-UHFFFAOYSA-N 416.450 0.829 30 20 HCED CCOC(=O)[C@@](C)(NC(=O)c1cnn(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 431230828 CKLXNXRBRXZAFO-SFHVURJKSA-N 404.448 0.904 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 435741384 OTXLRYWWWCRJQE-UHFFFAOYSA-N 422.488 0.970 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 438725236 PTAOPLIGCIMONZ-KRWDZBQOSA-N 407.478 1.473 30 20 HCED CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 439607211 PWPWDAHFMWEDRS-UHFFFAOYSA-N 417.514 1.408 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 441512682 HVASXPLVNQJZEH-UHFFFAOYSA-N 421.508 0.275 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCCCN2C(=O)c3ccccc3C2=O)n1 444564552 AZFMESHKTGGSMF-UHFFFAOYSA-N 408.418 0.928 30 20 HCED COC[C@H](C)NC(=O)Cc1noc(CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 445262732 AFVWPGQLXBIIKJ-LBPRGKRZSA-N 407.452 0.456 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465124655 YNQSZKAGJUFALJ-GFCCVEGCSA-N 420.481 0.655 30 20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481248166 WLSFDGJFQIQENA-BBRMVZONSA-N 424.548 0.993 30 20 HCED Cc1nc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)o1 490083650 BJCUMNCSJJDXSV-GOSISDBHSA-N 409.446 0.739 30 20 HCED Cc1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 501478127 NEQMFJGALLOLMZ-UHFFFAOYSA-N 419.488 0.795 30 20 HCED COC(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)nc1 508108752 FZNYRCCXRXHESD-UHFFFAOYSA-N 402.432 0.677 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508486807 DBFNAPDNZGNWPX-CQSZACIVSA-N 408.484 0.608 30 20 HCED COCCN(C(=O)CN1CCC(F)(C#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 510949029 QRSXDUPKEGQHQZ-UHFFFAOYSA-N 424.477 0.494 30 20 HCED C=CCN(Cc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 511097449 VHFKAMRIZRKGFR-KRWDZBQOSA-N 414.549 0.883 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1C 511625954 NNKYGZIYCRDRCZ-UHFFFAOYSA-N 417.495 0.012 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514015025 FYOPKKSFVSJQQH-OYHNWAKOSA-N 424.505 0.594 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CCC 514922666 IDUZYKKMRKTCAP-UHFFFAOYSA-N 411.483 0.912 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(F)cc2)CC1 515244843 QFLDRHKIBXZPTC-OAHLLOKOSA-N 406.458 0.156 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cn1 530286354 FFHOTXOKCIEWLJ-UHFFFAOYSA-N 415.454 0.669 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1 531722049 ALTODWZKZUSOBN-ZFWWWQNUSA-N 422.507 0.592 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c(C#N)c1C 532551667 HYFMCWJKCRIESV-JKSUJKDBSA-N 417.510 0.960 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 537069313 LTZBIWDYQFLTNQ-OAHLLOKOSA-N 423.535 0.907 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCN(C(N)=O)CC2)CC1 539452026 KQMISHNVVQKOSN-GOSISDBHSA-N 402.474 0.621 30 20 HCED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2=O 540456418 UNWTVMATOHJQGB-HXPMCKFVSA-N 401.471 0.755 30 20 HCED CN(C)CCOc1cc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccn1 542824821 HQKTYMZATVRDPU-UHFFFAOYSA-N 400.487 0.973 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)Cn1cccn1 551151202 GKZVCRVMJRJHEU-MAUKXSAKSA-N 408.462 0.424 30 20 HCED CCN(CC)S(=O)(=O)c1cc(C(=O)NCCn2cnc(C#N)n2)ccc1OC 552326866 COPJAAKHTRGWFZ-UHFFFAOYSA-N 406.468 0.619 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 556008846 YLDQMQCHDUGQTE-UHFFFAOYSA-N 400.357 0.919 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)c1C#N 560841367 PZZLJGHBCFKIIZ-GUYCJALGSA-N 413.507 0.925 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)C1=O 561053996 UYNYLOBEBZUYBG-UHFFFAOYSA-N 402.382 0.392 30 20 HCED C[C@@H](C(=O)NCCn1cnc(C#N)n1)N1C(=O)c2ccc(Br)cc2C1=O 561274292 BUBCHQAYLKAIBK-VIFPVBQESA-N 417.223 0.713 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)nc1 576793275 TUAIDHZVWWOCSH-UHFFFAOYSA-N 403.439 0.719 30 20 HCED COCCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nn1 577520872 CELIHSZNRSYVHQ-UHFFFAOYSA-N 419.463 0.624 30 20 HCED C[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H](C)N1CCOCC1 587658604 CARFFMWGSDLVSY-HZPDHXFCSA-N 414.510 0.264 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)CC1 589159758 PYIZXEUOSITPSP-ZFWWWQNUSA-N 401.467 0.740 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 608869207 SXXSOVGONCQQKZ-UHFFFAOYSA-N 416.525 0.198 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 610738253 UMMLOTPERRKJAH-GOSISDBHSA-N 406.508 0.687 30 20 HCED O=C(C[C@H]1S/C(=N/CCc2ccccn2)N(CC(=O)NC2CC2)C1=O)NC1CC1 726106494 OJJNCWPSZUQUGA-UMIVRTMYSA-N 415.519 0.871 30 20 HCED N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 727949352 OENQXDULXKCFMB-UHFFFAOYSA-N 407.430 0.780 30 20 HCED N#CCN1CCC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 730438052 OGPOCBQWZALONH-UHFFFAOYSA-N 423.564 0.982 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795749 WJCANDLAZOWLKC-UHFFFAOYSA-N 417.535 0.753 30 20 HCED C#CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 733160931 HNURUQMDKWMLCY-UHFFFAOYSA-N 407.492 0.294 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733566071 ZHGACGDBAFMXCE-NSHDSACASA-N 418.431 0.983 30 20 HCED N#Cc1cccnc1NCCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 742249251 SMLLMDOEHVDJAZ-MRXNPFEDSA-N 420.429 0.412 30 20 HCED Cc1nnc(S)n1CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743501247 HIIZEEIZFREJMA-JTQLQIEISA-N 408.509 0.509 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 744633779 WPMBIDUMRSYYTG-MRXNPFEDSA-N 416.459 0.684 30 20 HCED C#CCCN1CCC(NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 747404118 GJASRRKNFAKNQO-GOSISDBHSA-N 410.474 0.521 30 20 HCED O=C1CCC(c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)=NN1 749167659 OUMDFFJQFAPANL-UHFFFAOYSA-N 411.443 0.978 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C#N)C1 749648514 DCWXIQYGLFSCDJ-CQSZACIVSA-N 423.495 0.717 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(c3ccc(C#N)nn3)C2)CC1 767251027 BFANGRHNIGPAGW-UHFFFAOYSA-N 408.484 0.419 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C(N)=O)cc1 767552050 HHAXMANTGFTFRY-LJQANCHMSA-N 422.445 0.547 30 20 HCED C#CCOc1ccccc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 768249188 AZSBQDASENUUKS-KRWDZBQOSA-N 412.533 0.333 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C[C@H](O)c1ccccc1 770843327 OIVVXMJJGSTYEK-RDJZCZTQSA-N 417.487 0.716 30 20 HCED 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C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1831421260 GVUUOIZKDRHFKY-FOIQADDNSA-N 404.467 0.446 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1831431540 DUZXENCDDGDOMH-KKSFZXQISA-N 419.478 0.046 30 20 HCED COc1nn(C)cc1C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666842 YKLJNLPUKCQFIP-MRXNPFEDSA-N 402.451 0.750 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831763562 FVKFSJDAHRDOET-NRFANRHFSA-N 416.478 0.178 30 20 HCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1833191595 OFZKYJPKPARVTH-UTKZUKDTSA-N 400.479 0.389 30 20 HCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)o1 1833895539 CRNUMBVRUBLCAE-IBGZPJMESA-N 405.455 0.360 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833896300 RYRBJIZVIYBUMC-QRWLVFNGSA-N 422.482 0.402 30 20 HCED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n1 1834403079 XSNCOIDEEBNFHN-APWZRJJASA-N 410.540 0.927 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(C)(C)C)CCO2 1834775807 DNIYPWQHOSBTLD-IZRJCCQOSA-N 407.511 0.737 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc(Cl)cn4)C3)C2)CC1 1835342503 SVNWJUGEGYUEKC-GOSISDBHSA-N 407.858 0.297 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835348046 NCTKFOVCCGZEPP-NRFANRHFSA-N 415.494 0.650 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835912421 QZRQEAGPVCUBGY-VRFIZVPASA-N 406.483 0.153 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)cc(F)c1)CCO2 1836122753 HEMINLKESWALSH-HXUWFJFHSA-N 422.384 0.052 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn5ncccc45)CCO3)C2)C1 1836467077 UKYOXOPVPDCXCT-OAQYLSRUSA-N 411.462 0.766 30 20 HCED CN1CCN(CC(=O)N2CCC(OC3CCN(C(=O)C#CC4CC4)CC3)CC2)CC1 1836824590 OPLBAGAPRLKWIF-UHFFFAOYSA-N 416.566 0.646 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837396619 HOOBALDFJFXLNQ-AVRDEDQJSA-N 417.506 0.654 30 20 HCED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cc1C 1838153357 GCSMRFFJBLIOPQ-OAQYLSRUSA-N 415.494 0.975 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236462 BMLAAZLHEJNRDT-PXNSSMCTSA-N 403.483 0.503 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1C[C@@H]3CC[C@H]1C3)CCO2 1839916597 QAOXGWAJNVKZKS-JJDSTIRJSA-N 404.463 0.357 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1F 1840526757 ONTIEHPEHWZLCY-HXUWFJFHSA-N 405.426 0.747 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CO)o4)C3)C2)CCC1 1840814778 XTQHCWUKCVDZRH-HXUWFJFHSA-N 403.435 0.536 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1840840145 BPXSUPRTUAYJFH-NRFANRHFSA-N 401.463 0.503 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841304114 MIDSTTWMAQLNNC-GPANFISMSA-N 405.495 0.877 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1841606960 LDOFHYTWIGHBOK-HUUCEWRRSA-N 411.499 0.667 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)C1CC1 1847623614 LEMZQNVHWQOUOT-JYJNAYRXSA-N 419.478 0.970 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 110844772 KFUMHLYFLFPPCL-MRXNPFEDSA-N 408.524 0.468 30 20 HCED C=C(C)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 427042915 FKZUIFSBAKBMIF-UHFFFAOYSA-N 411.480 0.737 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CCC1 430992526 ZDRJRNSYGZJJMI-UHFFFAOYSA-N 414.512 0.834 30 20 HCED COCCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 435004610 KMNYEWRCORSGKI-CQSZACIVSA-N 410.496 0.715 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)C1=O 440276260 MGUISIKAVFYWPB-HNNXBMFYSA-N 408.480 0.550 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 443266983 GMGOYPWOYUMCLT-UHFFFAOYSA-N 411.484 0.135 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C)c1=O 443546596 DLJUWMCMMRKYDH-UHFFFAOYSA-N 403.533 0.132 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCCOCC3)n2)c(Cl)c1 446226665 MUHCUAAPUDVALT-UHFFFAOYSA-N 416.869 1.174 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@H](CN3CCOCC3)C2)cn1 460586961 OUCSKVCRZADZQQ-HNNXBMFYSA-N 409.450 0.258 30 20 HCED COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1C#N 460603402 FQXVIMFNJXNGRO-LBPRGKRZSA-N 416.459 0.649 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(CS(N)(=O)=O)c1 465118548 FMNIQHXMXMFQKX-ZDUSSCGKSA-N 400.464 0.488 30 20 HCED C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 467136575 BGABTUUEQUNFHW-UWVGGRQHSA-N 421.447 0.054 30 20 HCED N#Cc1ccccc1CSCCNC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 468139724 FOXMFFFFERWQMW-UHFFFAOYSA-N 421.504 0.313 30 20 HCED Cc1cccc2nc(CNC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)cn12 469607100 NKOSTLYPIHUUAQ-UHFFFAOYSA-N 414.429 1.409 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)cs1 480385725 HCLYAHBQGKHYSA-UHFFFAOYSA-N 413.506 0.413 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(C(N)=O)c1ccccc1 481237168 BGVZGPATMWSHNV-ORAYPTAESA-N 400.460 0.742 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C(N)=O)cc3)CC2)cc1 486025494 FNAMOPZSYOYACQ-UHFFFAOYSA-N 412.471 0.733 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 491104585 NILOWYPNVLQWHI-UHFFFAOYSA-N 413.478 0.730 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 491285943 VBRVKRRFHXDSGW-IAGOWNOFSA-N 423.477 0.900 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CC(=O)NCc3cccs3)CC2)o1 496916419 NICKULNZROCSSK-UHFFFAOYSA-N 416.507 0.813 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1=O 499990350 WNQGSERNMRSSJW-CXAGYDPISA-N 406.508 0.330 30 20 HCED C[C@@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 508657569 PKAILXPDLLCCIK-WIYYLYMNSA-N 415.494 0.436 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508951141 LZERUSKBFAFNRV-CVEARBPZSA-N 411.528 0.599 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)N(C)[C@H](C)CC#N)C2)cc1 509204970 GZWVJAMHNUSPSA-GFCCVEGCSA-N 402.498 0.136 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 521992500 GMOKILDOLGUYRR-DLBZAZTESA-N 400.479 0.717 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)n(C)c2n(C)c1=O 523696750 PWLPBCNIBOFUTO-INIZCTEOSA-N 420.473 0.426 30 20 HCED CCC[C@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1CC(=O)NC1(C#N)CCC1 525886559 VKLMDJBWUJYKEK-KRWDZBQOSA-N 400.527 0.898 30 20 HCED CCN(CC(=O)Nc1sc(C)c(C)c1C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 533225231 ZSARVMRQJGQRJT-ZDUSSCGKSA-N 412.537 0.800 30 20 HCED C[C@@H](C#N)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 541575374 VAOJGOBETQQLLG-GWCFXTLKSA-N 420.413 0.894 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 551884684 ZPVMXHVNCDGTSV-UHFFFAOYSA-N 424.440 0.896 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 558161001 FTGJWBRWDQCOCS-UHFFFAOYSA-N 423.473 0.710 30 20 HCED C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 561716980 YCUARECBEHXRLL-KRWDZBQOSA-N 401.577 0.987 30 20 HCED C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564070978 INGBVDJQNJWDKV-MNEFBYGVSA-N 411.506 0.574 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC1 564759068 LXVMXKDFAQQYNX-UULLZXFKSA-N 402.520 0.640 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1=O 577617543 DIMSUHIIRYGMDA-QGZVFWFLSA-N 416.478 0.015 30 20 HCED C[C@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 585704651 GXCAITIQGKNTRV-KRWDZBQOSA-N 421.505 0.854 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CSCC(=O)N3CCOCC3)CC2)nc1 608970181 WGGMNRJUAMXEKD-UHFFFAOYSA-N 403.508 0.630 30 20 HCED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 609152733 CCOLQZLPGOCTBG-GOSISDBHSA-N 416.526 0.952 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 610425210 NKTCMFONULWILR-IAGOWNOFSA-N 400.483 0.869 30 20 HCED Cn1cc(C#N)c(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 610560694 RRUHXWQEDXCIBJ-HNNXBMFYSA-N 411.470 0.709 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3ccccc3)CC2)C[C@@H](C)O1 612309737 HQPROPBCGMNBMG-QZTJIDSGSA-N 420.535 0.719 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 615256327 LQGGIRQPCGGDDA-UHFFFAOYSA-N 415.494 0.711 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCN2C1=O 617056950 NBFDBIJSWRIPTJ-DLBZAZTESA-N 424.461 0.337 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C 619695398 HWZYGYBYAZATFT-UHFFFAOYSA-N 419.478 0.640 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2F)c1=O 619695442 VZNVYYFWAFKHQH-UHFFFAOYSA-N 417.462 0.439 30 20 HCED C=CCN(C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)[C@H]1CCS(=O)(=O)C1 681430300 INGHUMAJXOHGLT-LSDHHAIUSA-N 406.464 0.644 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(NC(=O)C(C)C)n2)CC1 729281518 FMCLYAIPPSNHHI-UHFFFAOYSA-N 405.524 0.564 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731862514 GOUBAVKSPKXNSO-FRTIYWTKSA-N 422.463 0.005 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795492 KFAVPWKBLUMMSA-CQSZACIVSA-N 417.535 0.751 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cn1 732796790 IEUMPOXEAYIHKK-UHFFFAOYSA-N 413.503 0.384 30 20 HCED N#C[C@H](C(=O)CCCNC(=O)NC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1 732910352 NRFSSIBEJDUBGY-OAHLLOKOSA-N 412.512 0.364 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 735922410 BDGDMUJMEHAJJD-UHFFFAOYSA-N 420.354 0.956 30 20 HCED CCc1nc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccccc1F 744130948 BFGVPWKAWKUUCV-GFCCVEGCSA-N 419.438 0.548 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)cc1 746041545 VZBWWAYOIPEYAG-CZUGFQSVSA-N 420.491 0.828 30 20 HCED COc1ccc([C@H](O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 749628055 JPDQJOFCOSBCFZ-GOSISDBHSA-N 420.429 0.995 30 20 HCED C=CCN(C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 754063153 BBBPCFUIWPEBRC-VQTJNVASSA-N 423.579 0.853 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758768162 HVBLGDRLQHFQEW-TZMCWYRMSA-N 414.470 0.741 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cnc1Cl 760375418 FWBOGYNNZYQVHS-UHFFFAOYSA-N 420.947 0.882 30 20 HCED CC(C)N1CCC(O)(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 760893420 TXVUGTYZPVDRMT-UHFFFAOYSA-N 408.524 0.467 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 762525743 NTCKEWRPUNOWHW-UHFFFAOYSA-N 411.418 0.331 30 20 HCED CCS(=O)(=O)NCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 770412079 ISODFHZBQSYKQB-NBVRZTHBSA-N 402.498 0.377 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3C[C@H](C)O[C@@H](C)C3)no2)c1 771226782 XRVSKYWNLCKTKT-KBPBESRZSA-N 418.475 0.826 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNc2cnc(C#N)cn2)cc1)S(C)(=O)=O 772142065 HXERUTLTGZWQOC-UHFFFAOYSA-N 411.465 0.565 30 20 HCED C[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCN1S(C)(=O)=O 776297507 QPCQOPHMSSIKKJ-UGSOOPFHSA-N 405.480 0.248 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1 783458395 FFFZKZGWQZGROD-UHFFFAOYSA-N 404.382 0.587 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)C2CCC2)c1 785999155 HRPMRXZQINTQPU-HEHNFIMWSA-N 422.507 0.811 30 20 HCED Cc1nc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)sc1C 787755329 LEFJHPDTONUWDP-UHFFFAOYSA-N 413.507 0.904 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NOC[C@H]2CCOC2)c1 788345883 XAOCGZHBHIDWJR-JEEMYIIMSA-N 424.479 0.522 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3N(C)C)CC1 789430578 LIKFWLJCPQKOIB-SFHVURJKSA-N 412.490 0.998 30 20 HCED CC(CCc1ccc(F)cc1F)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 794923628 QKXNANBDJRCYIH-UHFFFAOYSA-N 400.407 0.649 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc4c3nnn4C)CC2)o1 801496906 IDYPJRJAHJIMCM-UHFFFAOYSA-N 410.394 0.037 30 20 HCED CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 809393241 XKRAJSWJIVGUOW-AGKQBQDBSA-N 413.374 0.316 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 815509861 ZZLXRNPPQOJRBP-UHFFFAOYSA-N 416.438 0.087 30 20 HCED C=CCNC(=O)[C@H](C#N)C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 916920077 HQTKEIYAHQOXKJ-MRXNPFEDSA-N 405.476 0.895 30 20 HCED CC(=NNc1nnc(C)c(O)n1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917538739 NQNKAPRXXGLSPO-UHFFFAOYSA-N 407.500 0.952 30 20 HCED CN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918288773 HUUMLZQZOAODQF-SILNSSARSA-N 407.496 0.212 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 918329571 FFDXQJOSKKXPHB-UHFFFAOYSA-N 418.461 0.814 30 20 HCED C=CCNC(=O)NC(=O)CNC1CC2(C1)CC(NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1121435821 ARCTTXFZZYLKGD-RPAOXDCCSA-N 402.495 0.439 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1=O 1318285789 UDJCIWGNMDLGSL-UHFFFAOYSA-N 415.406 0.216 30 20 HCED COCCN1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1321818219 LQFRISWHIXNSQZ-SFHVURJKSA-N 413.478 0.990 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(Cn2nc(CC#N)n(C)c2=S)CC1 1322053050 ULCSRIGJDPHTSF-UHFFFAOYSA-N 401.514 0.417 30 20 HCED C=CCN(C(=O)Cc1c(C)nc(-c2ncccn2)nc1O)[C@H]1CCS(=O)(=O)C1 1322531004 MSUJEFDMPJOEFT-ZDUSSCGKSA-N 403.464 0.692 30 20 HCED CC(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1359940580 MKBWVTNWAMBSAS-LSDHHAIUSA-N 412.516 0.386 30 20 HCED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1504410428 KQMSHLYWMDAOGK-LAUBAEHRSA-N 412.494 0.673 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N2CCOCC2)C1 1541989303 JRAMYQFAQFBVBE-AUUYWEPGSA-N 401.471 0.218 30 20 HCED COc1ccc(C[C@@](C)(CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1558240284 VRHMNJLJYVDEIZ-FQEVSTJZSA-N 417.487 0.844 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](N3CCOC3=O)C2)CC1 1619904732 KCVALSIMHYDSAU-CVEARBPZSA-N 403.508 0.983 30 20 HCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)ncc1C#N 1626717041 RNLULNGXNUWNNN-UHFFFAOYSA-N 400.486 0.384 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 1627514117 RSIZRFLJFVBIIB-INIZCTEOSA-N 423.520 0.357 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(C(N)=O)CCOCC1 1692530090 UXMLJNWLHIYOIX-IBGZPJMESA-N 417.514 0.828 30 20 HCED COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1697767008 KHGZITXMGDACAF-IAGOWNOFSA-N 417.514 0.238 30 20 HCED CN(C)S(=O)(=O)CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1747607238 HWLOOOPXTRSYCR-HNNXBMFYSA-N 409.560 0.644 30 20 HCED CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747607387 NCESMLDOWCCGDQ-MRXNPFEDSA-N 423.587 0.935 30 20 HCED COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1749340603 PWYQBUJXTWNVMX-OWCLPIDISA-N 403.487 0.067 30 20 HCED Nc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cs1 1779016936 VSELFQYYSQLNNN-HGMDMCOWSA-N 406.512 0.641 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066767 FXQVCJAUEUCACS-AVRDEDQJSA-N 405.539 0.855 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](CC)NC(N)=O)C2 1779335140 KUSYSQPIJMEUNI-DXEZIKHYSA-N 424.542 0.520 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1)C(F)(F)F 1779389585 RKWVKKWIBZVVMM-CQSZACIVSA-N 403.317 0.880 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779407657 OLUQRQLZYFJBCI-WAOWUJCRSA-N 422.478 0.409 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4cnn(C)c4)CCO3)C2)c1 1780174949 DCPGPPMNOBZQNE-JOCHJYFZSA-N 423.473 0.987 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H]2CCNC(=O)C2)C3)c1 1780181822 NIEGKQHOONIYDK-LUQKVYGDSA-N 413.478 0.540 30 20 HCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(C#N)c2)C1)n1cnnn1 1780350433 NQSTVSHRIHPJJZ-FQELHTAISA-N 423.477 0.933 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)NC=O)C3)C2)c(O)n1 1781244174 LSZZAWAEYWGKHL-VFNWGFHPSA-N 416.478 0.484 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1snnc1C)CCO2 1781267991 FIDLJKVZXWHPKW-GOSISDBHSA-N 408.480 0.799 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C)CC1)C2 1781739443 UDVPXYQSGIIJDV-WOIUINJBSA-N 406.571 0.960 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3ncccc3[nH]1)C2 1782015337 LVGKAVDIRIUDDM-DYESRHJHSA-N 410.430 0.778 30 20 HCED N#Cc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(O)O)CCO3)cc(C(F)(F)F)c1 1782031109 VEGBJLIEJRCLHN-KRWDZBQOSA-N 413.352 0.331 30 20 HCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnn1 1782762301 LPAXBYHHXOVZIB-YTTBQZDOSA-N 403.487 0.141 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)c1 1782958136 BROYOSLKKWCKGL-FXAWDEMLSA-N 417.487 0.579 30 20 HCED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1783448978 NWULBGBWZRYPLX-QVKFZJNVSA-N 418.494 0.987 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](N)Cc4cscn4)C[C@@H]32)C1 1783461358 RQIDMFREOIUWQI-MGHWNKPDSA-N 404.536 0.959 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(O)CC3)C[C@@H]21 1783533124 QMHOFFWYTFZOIJ-MZKQBLRXSA-N 419.522 0.376 30 20 HCED CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)cc(OC)c3)C[C@@H]21 1783960166 BJGMBDZESXZULK-QZHFEQFPSA-N 401.463 0.931 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 1784405423 AQEFUAOGQHIXRT-DYESRHJHSA-N 402.495 0.840 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784483472 ZGLDXVQQSWBNSG-QAETUUGQSA-N 423.510 0.529 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784533879 SUDQQLTYTXATTG-LJQANCHMSA-N 405.455 0.008 30 20 HCED Cn1cc(CC(=O)N2CC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)cn1 1784574326 GGGUZBUTNQMLBP-CCULFSDZSA-N 402.499 0.264 30 20 HCED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1785466104 FYPIBKKKOQHKJK-LNLFQRSKSA-N 408.462 0.788 30 20 HCED Cn1ncc2cc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)ccc21 1788062442 NSGYYRSAUOCGOF-ZVZYQTTQSA-N 410.430 0.255 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1788659336 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COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1=O 434961516 AYTOVQFODPRDFU-ZDUSSCGKSA-N 403.439 0.333 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)n1 444592623 FVMYTJFABDVCNJ-UHFFFAOYSA-N 409.494 1.064 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 445107312 JJIOOLMDANLVJE-QGZVFWFLSA-N 402.495 0.590 30 20 HCED C[C@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN1C(=O)Cc1cccc(Cl)c1 462938950 BSSNPJPQHIENGI-ZDUSSCGKSA-N 415.881 0.889 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@]2(CCCOC2)O1 485269258 SNOZFDPEFNSJPI-XOBRGWDASA-N 410.434 0.874 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(Cl)c1 490407403 FUUCCKQUFHIXMK-UHFFFAOYSA-N 403.870 0.917 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1Br 497908790 RBTYEZLCEQECGJ-UHFFFAOYSA-N 409.240 0.624 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1Br 498785841 YBXGTSNMMHSBCU-UHFFFAOYSA-N 408.212 0.317 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccccc3OCCO)CC2)nc1 506156030 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NGFPOPPDSPVQPH-ZFWWWQNUSA-N 411.505 0.427 30 20 HCED COc1cccc(N2C[C@H](NC(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2=O)c1 533318213 BLZDUCNMOAKYPW-CQSZACIVSA-N 410.434 0.974 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C(=O)CO)CC2)CC1 534794246 YNRZQTOQPXCEEQ-UHFFFAOYSA-N 413.434 0.686 30 20 HCED COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(O)c1 539409920 KSAXLJJHMNWPOW-SJCJKPOMSA-N 417.443 0.961 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)cc1 541967753 FLYLFDGSWVQJFD-QGZVFWFLSA-N 414.462 0.413 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)n2)c(Cl)c1 543930938 PVRKSROYTOKFQB-SMDDNHRTSA-N 416.825 0.485 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 545335034 MMTAHRYYSFCFIP-UHFFFAOYSA-N 411.532 0.499 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 550660049 IQMCNSWHJUYWNM-SEPVDIHQSA-N 405.458 0.743 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)C2=O)cc1 563910141 LQMVUDUPKBFCAS-PMACEKPBSA-N 423.517 0.908 30 20 HCED CN(CCOCc1ccc(C#N)cc1)CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 565620933 MCCOHXIJRYJRFF-MRXNPFEDSA-N 408.480 0.020 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 571008622 BQZUOKPDSSXITM-DOTOQJQBSA-N 405.524 0.954 30 20 HCED C[C@@H](O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 574776307 SMWUHUXHHNTVMV-AEFFLSMTSA-N 420.535 0.484 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c(OC)n1 575913196 WPFWQHYMEWKKPZ-UHFFFAOYSA-N 421.417 1.115 30 20 HCED N#Cc1ccncc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 577521499 GFIZZMMNAFTQPN-CQSZACIVSA-N 420.472 0.671 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 580228878 LURQRFFRTJIYQD-UHFFFAOYSA-N 410.452 0.082 30 20 HCED N#CCN1CCC(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 589400580 YERMDFSIBUKVIR-UHFFFAOYSA-N 415.313 0.832 30 20 HCED N#Cc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 610008017 CLYBRIXWWLNUKK-UHFFFAOYSA-N 414.491 0.696 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CC(N)=O 675754573 NNJFBVZJMFWXHK-UHFFFAOYSA-N 419.528 0.974 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1 742641603 KPNZZRZBLSJPIR-UHFFFAOYSA-N 406.527 0.917 30 20 HCED CCc1nnc(S)n1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 743662586 ZEMILITVAXHHGT-UHFFFAOYSA-N 408.509 0.374 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 749508887 MOQIFVGGHYUMRW-UHFFFAOYSA-N 410.455 0.486 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2O)CC1 751375437 HTODXGPHJIRZET-UHFFFAOYSA-N 413.453 0.923 30 20 HCED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755550481 KDMZUZNTXKJYSK-TZMCWYRMSA-N 403.439 0.508 30 20 HCED COC(=O)c1cccc(COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1C#N 756193993 GQXDQPQLORIXSR-XOPBCEHWSA-N 412.398 0.939 30 20 HCED N#Cc1ccc(NCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)nc1 759699775 XNOKZMOZHNGCRN-UHFFFAOYSA-N 401.448 0.490 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 761048501 NUPPLNQCXNPQQB-IBGZPJMESA-N 422.482 0.991 30 20 HCED C[C@H](CC(=O)NC1CCN([C@@H]2CCOC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 771041419 RRHVNEISKHIYML-GDBMZVCRSA-N 420.535 0.873 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)s1 772740430 JJCIFSFXKIWMSK-FOCLMDBBSA-N 412.493 0.368 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 773949377 XAOZSKMMEFTMFO-HNNXBMFYSA-N 406.508 0.431 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)CC1 774704474 PCBBTIDFSSXIJQ-AZUAARDMSA-N 402.543 0.858 30 20 HCED C#Cc1ccc(C(=O)NCCC(=O)N2CCN(C(=O)c3ccc(C#C)nc3)CC2)cn1 778949367 DRFSGHJMRZLGHQ-UHFFFAOYSA-N 415.453 0.544 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 780065729 XXMGTPQWHVKBTL-MGPQQGTHSA-N 408.480 0.750 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCOC)cc1C)[C@@H]1CCS(=O)(=O)C1 783480584 KJZIZWQUXFDMCG-OAHLLOKOSA-N 408.476 0.608 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 783541586 IHWIYBROJUWZAS-IHRRRGAJSA-N 402.538 0.610 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 786438191 CKWHHYUYEZBJLJ-GNFOSXPUSA-N 421.454 0.902 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 786550635 QJERRKGFULSQAX-HNNXBMFYSA-N 422.445 0.158 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787560970 FVMOGXXOSPFLJI-UHFFFAOYSA-N 403.460 0.513 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cscc2Br)c1=O 795197752 QMYNMOGMUXDKRL-UHFFFAOYSA-N 408.302 0.616 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)cn1 801293406 XOUHAGYESYCBSF-GOSISDBHSA-N 421.461 0.792 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)nc3)CC2)c(O)nc1=O 801552815 DCAOQGGURIZZFS-UHFFFAOYSA-N 411.466 0.459 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCN1Cc1ccccc1 804049928 GWFHZZLUNMBYJT-VAMGGRTRSA-N 411.506 0.202 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@H]1CCCO1 809308752 KAHVPZBCLXRKIR-QZTJIDSGSA-N 422.503 0.614 30 20 HCED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O 811729638 QFXYMDQXKVSYJV-IBGZPJMESA-N 400.439 0.296 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815589801 DVFOQRFGQKTSFG-AWEZNQCLSA-N 402.455 0.917 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(C)s2)c1=O 917760852 CFOYPMAHNFQQHV-UHFFFAOYSA-N 404.517 0.517 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 1003116945 XRVVZCIPFYXCCR-HPCJDURASA-N 402.451 0.329 30 20 HCED CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1154297594 OXEKJJQUVZUEEU-GOSISDBHSA-N 422.445 0.799 30 20 HCED COc1ccc(CCN2C[C@H](C(=O)N3CC[C@](O)(CC#N)C3)CC2=O)cc1OC 1299889745 KEGCADJJRKHLEE-IIBYNOLFSA-N 401.463 0.972 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1321673538 XQWCFORCFMNQRO-MRXNPFEDSA-N 418.519 0.536 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1324257470 YZLQEJVBTKFQAH-NOHQBZTLSA-N 403.361 0.223 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](OC(=O)N(C)C)C1 1449856659 SAGRWADFGLBXIJ-HIFRSBDPSA-N 408.480 0.914 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CC1 1510151853 PNOHIRJZWROROD-VXGBXAGGSA-N 418.545 0.204 30 20 HCED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1515300733 KIYPXANPEGQIOH-HNNXBMFYSA-N 408.528 0.789 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539775328 KXTZKBXCCMPCTE-RYUDHWBXSA-N 417.923 0.197 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1539803772 NJEHULCLFDEKAE-OLZOCXBDSA-N 405.908 0.589 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCOCC1 1611686896 NUYSDHACBXTJDY-BLLLJJGKSA-N 400.480 0.757 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1770344776 ZCJYCPHXMWUMJZ-ZIAGYGMSSA-N 405.484 0.426 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777933241 KLPKCMJEZRGAKL-KKSFZXQISA-N 413.478 0.746 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)NCC(C)C)C1 1778115111 WQBAWXJGNZTOIV-DRSNIGMVSA-N 423.554 0.846 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1778968020 OUKJXOKNEBORTJ-VFNWGFHPSA-N 418.494 0.403 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1778971118 KRYQKOZZFQYDJR-VFNWGFHPSA-N 413.478 0.746 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1779021330 NEJHSUDZVOQOQJ-ISXGRJCASA-N 420.510 0.631 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1779138914 JCIAEIKIBMICPZ-KQBANSRISA-N 401.419 0.928 30 20 HCED CN1CCCC[C@H]1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1781030243 ZFGVSDGDMNZUPS-JRCPDGGCSA-N 405.543 0.772 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c(C#N)c1 1781170940 GJLXJXVLFDFBJT-UNMCSNQZSA-N 415.490 0.956 30 20 HCED Cc1cccc(C)c1NC(=O)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1781239720 CNNMYLLGKBCQSR-NRFANRHFSA-N 413.430 0.160 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]34C[C@@H]3CN(C(=O)OC(C)(C)C)C4)C2)C1 1783464303 OXURWWJFWVBYML-GQWLDOHISA-N 403.479 0.707 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@]34C[C@@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1783555746 JUTKLPGQWMGZMU-RVHYNSKXSA-N 403.479 0.849 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784343511 FWBVEDWIMOQHHD-OAQYLSRUSA-N 424.461 0.449 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn4cccnc4n3)C[C@@H]21 1784483594 CDQWLNBNTINZFM-OVWQWFNUSA-N 411.462 0.361 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1784532688 DIOOEWWLEKMBPK-PWNZVWSESA-N 402.586 0.937 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1785596572 MDTAJVQJPWNGRT-MXKXFIQMSA-N 423.510 0.667 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N(C)C)o3)[C@H]2C1 1785881944 QBNCNVWFTLPUGM-UGUYLWEFSA-N 404.467 0.372 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[S@](=O)CC)[C@H]2C1 1788489901 OOVDOQDUCBBXOZ-KCGWXVFCSA-N 414.568 0.698 30 20 HCED O=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)C1 1788661242 HJRFFVPGYIFJMV-XSYRHGQDSA-N 407.467 0.474 30 20 HCED Cc1nnc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C/N=C/c4ccco4)[C@H]3C2)o1 1788678240 TYIXYRQJNFMOGD-HYVAJXQVSA-N 415.450 0.612 30 20 HCED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1788724391 HYYQYDUXJFZVDB-QZWWFDLISA-N 400.483 0.588 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1789957045 CVAVRIQVRUYEGT-XSLAGTTESA-N 422.526 0.780 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3[C@H]4C=CS[C@H]43)[C@H]2C1 1790624572 ZDGOITQGVNXXDE-CQQQVNOESA-N 417.531 0.700 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792147390 PXCACFHJKPTBST-WMEZAQDKSA-N 414.462 0.051 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCC)NC(C)=O)[C@H]2C1 1792182929 IBWXHNNXINNLCX-HZZCBIDNSA-N 407.511 0.309 30 20 HCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1)n1cncn1 1792426365 WUZCCLDQYBGAJI-KBMWQNTOSA-N 422.489 0.933 30 20 HCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOC2=O)c1 1793164532 CEIKGCFKDOQZPU-IZZQQSIFSA-N 412.446 0.522 30 20 HCED Cc1nn(C)c(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1793522403 GBKZNYPAGOTXEO-ALXJQNPVSA-N 416.526 0.522 30 20 HCED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)c1ccc(F)cc1 1795419873 IFAFUODIIUPRGY-JSJNYSNDSA-N 416.453 0.896 30 20 HCED NC(=O)CC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796894979 OVTJHDWZRMTXSC-GHJCOAFMSA-N 418.519 0.718 30 20 HCED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797739138 WRRBWJGEXDICNQ-SJRUWTAKSA-N 418.498 0.104 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1797775398 VULMPSBYLVVLQY-LJGDNWOOSA-N 409.450 0.380 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNCP(=O)(O)O)C2 1800222363 BSMAGZONKXIVST-YIYPIFLZSA-N 404.404 0.150 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OCC)CC1 1800363763 JLHDVJJLLKONCC-QKPAOTATSA-N 408.495 0.492 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2)C(F)(F)F 1800551229 NNDLMXQVHZTJKU-DOFRTFSJSA-N 403.317 0.640 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1occc1Br)C2 1800778148 DHVXQFVKTDNRPK-WDAIWFPHSA-N 411.208 0.333 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1)C(F)(F)F 1801348982 XENKYVQDFLJLGP-JJLQDPRZSA-N 400.357 0.564 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnnc1)C2 1801991410 QJUHMZVPPMUMPG-XEMDLRDOSA-N 407.430 0.630 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1803036814 YIAQTBWRATUUCS-JFIYKMOQSA-N 416.478 0.606 30 20 HCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1803555891 NKPXDBJIIHUQMO-XLIONFOSSA-N 413.482 0.757 30 20 HCED CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803595172 DAVUEJQPVDZQJF-MAUKXSAKSA-N 400.435 0.090 30 20 HCED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804350306 YCQQZGAVEKEKEX-QJZXMWHDSA-N 405.480 0.004 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]2c2cccnc2)CCC1 1807056040 NYBZLQNEGHXXHB-RYRKJORJSA-N 412.494 0.374 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807189118 AIJXAEWCAGREAL-NWGLXNPWSA-N 417.510 0.271 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@@H]1c1cccnc1 1808294718 PPWZRVDGIHMJPV-LRDDRELGSA-N 409.345 0.285 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1810440854 JXBXANMXNOGMMO-QOKNQOGYSA-N 406.446 0.329 30 20 HCED NC(=O)c1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1813739636 MXLFHNXPPAZTQF-FXAWDEMLSA-N 420.425 0.588 30 20 HCED C=CCOCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817353197 NLYAIVLXFJKUIX-GOEBONIOSA-N 420.514 0.977 30 20 HCED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817468473 JOYJNKBBOLTOHW-CQSZACIVSA-N 408.422 0.860 30 20 HCED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1825250711 UGZMFKVZEKGZEI-UWVGGRQHSA-N 415.466 0.859 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H]3C)C2)C1 1829770416 OKLQDYFGRQUJOB-ATHSGRMUSA-N 419.522 0.737 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)C(C)(C)C)CCO2 1830620180 NYFHVAIUMKQYRD-LPHOPBHVSA-N 400.541 0.769 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C)C2)C1 1831392076 ZJQGAKAHNPNVQC-UWJYYQICSA-N 401.463 0.498 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1831396673 PCLKWRAINVISCR-MGPUTAFESA-N 405.426 0.329 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1831411515 TWNGKZZCEZMXIL-NRFANRHFSA-N 420.510 0.700 30 20 HCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831498474 NGLLFKUMSRQBNN-MPGHIAIKSA-N 420.597 0.511 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@@H](C)CC)CCO2)C(F)(F)F 1831517375 HNZMQHZFQHWGGT-QEORTHHSSA-N 408.417 0.968 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831854560 YLNLOZGQFAPELW-JXFKEZNVSA-N 406.483 0.361 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1832446815 HFYBMYPCLBMLJV-VQIMIIECSA-N 408.524 0.820 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4CCC(CO)CC4)CCO3)C2)CCC1 1832525659 CUUROTGWIIPSSG-RWWKDMOOSA-N 419.522 0.935 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)n1 1833080847 POBWJOLDEPZKNT-IEBWSBKVSA-N 410.540 0.602 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833163092 KAOIJMACYLCBAO-QHCPKHFHSA-N 420.469 0.527 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(F)c1 1833635080 KTCKZABXOYWPEJ-KPZWWZAWSA-N 413.471 0.618 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834006592 PNEZLVOCYJDLCA-OVRHDEQLSA-N 412.446 0.864 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834028534 SOJUUHZIWBSBQB-OXJNMPFZSA-N 404.467 0.120 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834328995 ZWQYVAUULDAXBM-HNAYVOBHSA-N 407.471 0.291 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(=O)oc4)CCO3)C2)CCC1 1834599306 VNTIXWCEVULPKP-FQEVSTJZSA-N 401.419 0.404 30 20 HCED COc1ncccc1CCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756010 IHDUHMJTSFAZHV-FQEVSTJZSA-N 402.451 0.393 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c(O)cccc34)C2)C1 1834767182 MXYHFPBKCLQJJQ-OAQYLSRUSA-N 410.430 0.924 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5c4)C3)C2)CC1 1835346874 YDEDXODJDGRWKB-NRFANRHFSA-N 409.446 0.708 30 20 HCED N#Cc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)cc1 1836345511 CLPXTQXZXWQUOT-NRFANRHFSA-N 424.461 0.379 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1 1836419333 BYBWGOQVJQIRHF-VLIAUNLRSA-N 405.451 0.775 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc5[nH]ncc5c4)CCO3)C2)CC1 1836810593 ZWJMWYPIPDGWTJ-FQEVSTJZSA-N 410.434 0.332 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1837312310 ZZXAUSUQGRNNSF-HMFYCAOWSA-N 419.522 0.737 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1837402692 KMDOXOJVNSIZPM-HAYFENEFSA-N 418.494 0.452 30 20 HCED CC(C)(C)NCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442252 USEKYIYWICIITA-KURUZVKSSA-N 423.558 0.303 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837444124 ZOYQCVRAOOHNDZ-LPYUYNOQSA-N 414.453 0.570 30 20 HCED COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)c2n1 1838486697 PDNSUUWEZRAEHS-HXUWFJFHSA-N 413.434 0.555 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1838580605 MXLZCFRIMXYDBT-JOCHJYFZSA-N 424.457 0.941 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733001 IZKCIHQIYWIBQL-MGPUTAFESA-N 402.451 0.547 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1838835433 WCJLTUWEPJCPMU-NRFANRHFSA-N 418.494 0.692 30 20 HCED Cc1cccc(C)c1NC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839157517 SQOMZJRLXZBRMH-NRFANRHFSA-N 414.462 0.612 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)cc1 1839363006 COYXZZXQVQONMN-JQVVWYNYSA-N 413.474 0.594 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnn4c2CCC4)CCO3)c1 1839532988 MREHWBIDIWYQBV-NRFANRHFSA-N 424.461 0.413 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1839842055 KAAZLKPGDSLAFN-FEEZOJJESA-N 405.539 0.995 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839888572 VBPWTRWZGLMMTR-QGZVFWFLSA-N 414.409 0.588 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1)C(F)(F)F 1839894962 BIQCMJQXOFKVTO-KRWDZBQOSA-N 407.433 0.902 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3F)C2)C1 1840164302 FKVHECYRFWJOPD-AUUYWEPGSA-N 412.483 0.979 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1840292790 LJPYQLKQHQHUTH-NRFANRHFSA-N 402.447 0.903 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)c3ccccn3)CCO2)C1 1840500208 YHFQKGGUIOTXRQ-SVMVAKDDSA-N 415.490 0.680 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc(F)c1F 1840705463 OKSBGKGUFHWPBV-HXUWFJFHSA-N 422.384 0.431 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840875891 YIUNZIGCKRHPLL-CUKRGZBSSA-N 419.478 0.582 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1844158705 LLDVNDZORBYHEU-MRXNPFEDSA-N 416.434 0.448 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1 1844293376 FXRQBWMNCJCXAV-LJQANCHMSA-N 417.893 0.546 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)ON=C(C)C)C1 1845256130 JTLZZEBCAOLLLZ-RHSMWYFYSA-N 418.498 0.461 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1845437601 YHFXZCVNXAIZCI-AWEZNQCLSA-N 423.514 0.315 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847852303 AUZKWJXQFILGSD-QPSCCSFWSA-N 420.466 0.213 30 20 HCED C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15037120 YKZVDVMOHMBRSP-AWEZNQCLSA-N 421.523 0.877 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 25197258 SIXHEHPLQNCNSV-UHFFFAOYSA-N 420.535 0.531 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)n2ncc(C#N)c2N)CC1 109480899 XABIAINVUFADCB-UHFFFAOYSA-N 417.447 0.865 30 20 HCED CCOc1ccc(C[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C(=O)OC)cc1 409584428 KOUCDVIHUIOXGN-WBVHZDCISA-N 411.480 0.476 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 409598503 OZZFYMKXPBLSBX-KRWDZBQOSA-N 419.551 0.920 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C1=O 410112662 HETWHXXIXMOKBN-MRXNPFEDSA-N 407.492 0.407 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 410157203 XGQNCZANADAJKR-IRXDYDNUSA-N 402.561 0.914 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 438722099 IBLOEAQGNPGHII-INIZCTEOSA-N 417.429 0.599 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)ccc1OC(F)(F)F 443152755 DZWCMZKXBUYADL-UHFFFAOYSA-N 414.340 0.794 30 20 HCED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 443260229 BYUKDOJKQFRRGI-FZKQIMNGSA-N 411.462 0.849 30 20 HCED CS(=O)(=O)[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 444651320 UVYPAVQDRATUJT-INIZCTEOSA-N 413.521 0.918 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)O1 460595938 FGNBZIFMBGWTLT-HUUCEWRRSA-N 411.466 0.693 30 20 HCED CCN1CCN(CCCCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464950338 GISZAPCYZVVABL-SFHVURJKSA-N 414.558 0.986 30 20 HCED COC[C@@](C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 465143697 CLXCTRHMQWSZRH-LJQANCHMSA-N 423.491 0.653 30 20 HCED COCCNC(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1 471108591 OYLJLBPDKJZNCA-UHFFFAOYSA-N 408.396 0.226 30 20 HCED CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)S(C)(=O)=O 480575585 JCKDKUBBAYVQOK-ZDUSSCGKSA-N 416.525 0.013 30 20 HCED Cc1noc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 500255748 XISNFRQDEPBYIN-UHFFFAOYSA-N 414.470 0.013 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503982325 LYGAGBXFQAHUEU-SFHVURJKSA-N 412.494 0.563 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCNC(=O)C(C)C)cc1 504777981 ZZPJYIRLNUQVDG-UHFFFAOYSA-N 424.523 0.662 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508628000 DKEPVGJXRXREEM-KRWDZBQOSA-N 419.507 0.731 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 508880057 JRBLORJVVBEIGC-HNNXBMFYSA-N 412.560 0.623 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 515410808 SCTWPTWRTRTNDB-UHFFFAOYSA-N 406.490 0.979 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C1CCN(C)CC1 516372371 CMRWIYGTEVRVHE-UHFFFAOYSA-N 418.469 0.704 30 20 HCED C=C(C)Cn1c(CCCC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 519642045 ACPOZPYSIBEGBA-UHFFFAOYSA-N 404.515 0.704 30 20 HCED COc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1[C@@]1(C)NC(=O)NC1=O 522744399 TUAYJIIMFGQYDA-QGZVFWFLSA-N 418.435 0.661 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 524803611 CXBQCBSNPKTSSZ-INIZCTEOSA-N 416.526 0.932 30 20 HCED N#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 532220952 QVQTWNHEFZSCSN-UHFFFAOYSA-N 408.455 0.611 30 20 HCED CCN(C1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1)S(C)(=O)=O 537005308 QHEFXXVHADVJJM-UHFFFAOYSA-N 410.500 0.547 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 538147594 IAYAESSUCLFAFA-HKUYNNGSSA-N 410.526 0.551 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 538180999 ZUOHSWZIHSQNNB-UHFFFAOYSA-N 421.396 0.355 30 20 HCED Cn1cc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)ccc1=O 541960273 KJFXZYXXVNSZQB-UHFFFAOYSA-N 419.445 0.712 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 542940614 GZLGWVOXJNDMFC-VIFPVBQESA-N 420.472 0.483 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543053946 DHNAANOBEZJWKU-AWEZNQCLSA-N 410.434 0.546 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 543222259 PCTKFMKXZVATFI-XNRPHZJLSA-N 400.435 0.647 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(C)C3=O)nnc12 547786403 QAMYDXIAZZDJJC-CYBMUJFWSA-N 412.475 0.669 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 552552534 HNAUTIKDTADOQI-IPMKNSEASA-N 421.519 0.957 30 20 HCED CCCn1c(=O)nc(O)c2c(C(=O)NCCn3cnc(C#N)n3)cc(C(C)C)nc21 553498647 WTKUZMYAZYGIPG-UHFFFAOYSA-N 410.438 0.924 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3cc(CC)ncn3)C2)C1=O 554445446 MQOSKWHJKTXZKR-IAGOWNOFSA-N 414.510 0.369 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)nn1 565125394 BKHZNBOYPKSVAL-UHFFFAOYSA-N 404.452 0.937 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 571797953 NQOHXAQVFNXCLC-KBXCAEBGSA-N 424.379 0.301 30 20 HCED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 573494272 HLLZMBPWULBLTI-UHFFFAOYSA-N 413.887 0.491 30 20 HCED CNC(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 576991223 RVDIHZKMWKKQPW-UHFFFAOYSA-N 402.432 0.600 30 20 HCED COCCOCCN(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 578397656 FBDITTUCRBELAW-UHFFFAOYSA-N 405.842 1.457 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)C2=O)cc1 588865175 XRQGIJKDZOMVTJ-SQNIBIBYSA-N 423.473 0.439 30 20 HCED N#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609337600 AYOGRGSRQVIZAK-UHFFFAOYSA-N 410.456 0.160 30 20 HCED CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 609342322 VACOWFCZEZMNRW-UHFFFAOYSA-N 421.523 0.808 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610007241 FEOIUYLKNBTVLQ-UHFFFAOYSA-N 404.414 0.972 30 20 HCED COCc1noc(CN2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)n1 614922731 VPJUUAVSJSZHBH-KRWDZBQOSA-N 401.467 0.840 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)n1 616004210 QCHGRNYCSVFYJA-UHFFFAOYSA-N 413.438 0.300 30 20 HCED CC(C)N1C(=O)CN(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 726585427 UVQWDHADNJOKNF-UHFFFAOYSA-N 405.480 0.495 30 20 HCED COc1cccc2c1OC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 728258700 BYTIJRGVSWQWGR-ZDUSSCGKSA-N 401.444 0.854 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 728571100 VLXRAVFBCNIGCU-CTNGQTDRSA-N 411.550 0.133 30 20 HCED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909751 FNQDKRAWSLFKTJ-SWLSCSKDSA-N 423.878 0.659 30 20 HCED N#CCCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733012823 DIZPBLMMHPIDNH-AWEZNQCLSA-N 410.408 0.321 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1 733150846 XTFSLGRKYPZTTM-UHFFFAOYSA-N 403.508 0.096 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN[C@H](C(N)=O)c2ccc(C#N)cc2)CC1 734507343 UIMFLDKYXRNTIQ-KRWDZBQOSA-N 401.467 0.754 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 735715845 ZSKKDLKLMCRYQK-CYBMUJFWSA-N 404.366 0.918 30 20 HCED Cc1ccoc1C(=O)NCCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 737977637 YUUZSHOSUMPQES-UHFFFAOYSA-N 418.475 0.953 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCN(CC#N)C3)C2=O)cc1 742183069 APQIDCLVVDMFSC-BTYIYWSLSA-N 413.478 0.814 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 744087054 NTMPIEWYMOSFFC-UHFFFAOYSA-N 421.456 0.077 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cn1 746381470 JEPHQUXBNXVTRM-UHFFFAOYSA-N 414.853 0.912 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1 746504131 ZEOFAIVHHSQUPL-UHFFFAOYSA-N 407.518 0.632 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4c(cnn4C)c3)CC2)o1 747735237 VVWOQGLSVOLLKB-UHFFFAOYSA-N 409.406 0.642 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCCS1(=O)=O 752842108 OCDUSFDPVWBMTL-CYBMUJFWSA-N 413.521 0.589 30 20 HCED CCOC(=O)c1cnn(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 755255685 LZMJVLLITHWVKS-UHFFFAOYSA-N 403.464 0.895 30 20 HCED C#CCOCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 755407169 UVBMZXLEZGKEHK-UHFFFAOYSA-N 408.476 0.736 30 20 HCED CS(=O)(=O)CCn1cccc(NC(=O)NCCNc2ccc(C#N)cn2)c1=O 760795979 LAOSMXKZZLPMNA-UHFFFAOYSA-N 404.452 0.393 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 761038817 ZEUAIIIHKBHYIB-UHFFFAOYSA-N 404.414 0.729 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 763395198 CZWSPYXSZADDLI-GPMSIDNRSA-N 408.524 0.563 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)CC1 767310680 XZLPCMXILKEEIF-UHFFFAOYSA-N 401.510 0.396 30 20 HCED CS(=O)(=O)CC1(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 767476374 VWOJBZBDOIIFNU-UHFFFAOYSA-N 414.505 0.873 30 20 HCED C#C[C@@H](C)NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 775375459 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20 HCED N#CC1(NC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CCCCC1 787002914 XQBZIYXEDVGBMF-QGZVFWFLSA-N 420.510 0.586 30 20 HCED CC[C@H](NC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 787045900 LJMBUPXNTIDSEM-CABCVRRESA-N 422.445 0.410 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CC1 793194656 TYNKLIBRSSHRBR-ZDUSSCGKSA-N 417.443 0.825 30 20 HCED COc1cccc(C[C@H](C(=O)NS(=O)(=O)CC2(C#N)CC2)n2nnnc2C)c1 793197437 QHDSYXNFHHZWMN-OAHLLOKOSA-N 404.452 0.524 30 20 HCED N#Cc1ccncc1N1CCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 793288396 QMKMXBGGJQMJNR-UHFFFAOYSA-N 416.532 0.797 30 20 HCED COC(=O)Cn1cc(CCOC(=O)C2CCN(c3oc(C)nc3C#N)CC2)nn1 796278955 FSZCJWMLCOPIGC-UHFFFAOYSA-N 402.411 0.622 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1F 798331896 MUSXMYNSEBBPCZ-NSHDSACASA-N 404.427 0.486 30 20 HCED CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 803538974 LZSWONKSNSBFPB-INIZCTEOSA-N 407.515 0.996 30 20 HCED 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1831497241 BFCAVIFSVBQZRU-QUCCMNQESA-N 413.584 0.883 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cnncc2C(=O)O)CC1 1831669324 PTVKAEASLONSRI-MRXNPFEDSA-N 414.418 0.496 30 20 HCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(COCCN(C(=O)CC#N)C4)C3)nc2s1 1832106329 XSBDTSDNXNXTBA-GOSISDBHSA-N 418.479 0.012 30 20 HCED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1832551297 HWADZDASYKHSRC-HXUWFJFHSA-N 404.467 0.840 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n(C)n1 1833439547 SPLCEJUWCQKUSJ-IBGZPJMESA-N 405.455 0.048 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)n1 1833883270 RVZMQUJMOCZNAC-OAQYLSRUSA-N 424.461 0.265 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 1834018942 LBOBMAAOENGMSG-OXQOHEQNSA-N 404.467 0.953 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1834078377 JQFRRYAWAPZMHA-NRFANRHFSA-N 418.494 0.838 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3conc3C)CCO2)C1 1834337994 KMBFJTDEXMMQAU-OXJNMPFZSA-N 407.467 0.626 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(OC)cn4)CCO3)C2)C1 1834524965 FRYXOQNNQFRPQA-HXUWFJFHSA-N 402.451 0.521 30 20 HCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342117 KRDUGDUYWLXQLX-LIRRHRJNSA-N 419.507 0.704 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1835677386 HDGXUPIMFSDDCA-FQEVSTJZSA-N 403.483 0.367 30 20 HCED C[C@H](NC=O)C(=O)NC1CCN(C2CCN(C(=O)c3cccc(C#N)c3)CC2)CC1 1836403739 PFVWTVUZIFVEEW-INIZCTEOSA-N 411.506 0.878 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cn[nH]c3cn1)CCO2 1837200827 VDEPLFCJGCINNX-NRFANRHFSA-N 411.462 0.831 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837632303 NEYJOUDQJCUFFV-IERDGZPVSA-N 416.478 0.689 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)C1 1837791661 XRTWUXSLAWOPQY-GOSISDBHSA-N 405.411 0.354 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838120614 BXHHIZBVELLJGK-JOCHJYFZSA-N 423.473 0.751 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)c1 1838581797 QESPNHYGOBZCSB-YCRPNKLZSA-N 416.478 0.232 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)c(NC(C)=O)c1)CCO2 1838611054 MRTBFNWAZYTMPG-NRFANRHFSA-N 415.446 0.357 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1[nH]nc3c(Cl)cccc13)CCO2 1839045710 RJIIOWYQORNZBS-FQEVSTJZSA-N 416.865 0.848 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=C)CC(=O)OCC)CCO2 1839176569 VRBAXMFDLDVJEO-NRFANRHFSA-N 406.479 0.756 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1)C(F)(F)F 1839892570 UWJDYCPFLFEVAB-KRWDZBQOSA-N 407.433 0.949 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1)C(F)(F)F 1839894186 MUEODEBAAQRMER-GUYCJALGSA-N 419.400 0.182 30 20 HCED Cn1cc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840812674 FHATXKNZHGFPAZ-OAQYLSRUSA-N 415.494 0.503 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccc(-n3cncn3)c2)C1 1845504384 LTMIMQFFIVHLJG-FPLPWBNLSA-N 420.473 0.943 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccc(C)cc2)C1 1847064518 SOBYGDPFELTGHW-KTKRTIGZSA-N 424.501 0.787 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncon1)C2 1847068294 AEXZVVPRJMJBSW-CYBMUJFWSA-N 403.439 0.803 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)CCO1 409584207 XGYYHFSZMAFIIG-HNNXBMFYSA-N 412.899 0.496 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1 426933281 RZVUGQMOPVVTQB-PXIJXODZSA-N 422.445 0.901 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)NCC2(CC#N)CC2)ccc1OC 430356957 NZZYEZBBTRMUMG-UHFFFAOYSA-N 424.479 0.368 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN2CCOCC2)cc1 439548270 KTKAERDXYLKXBO-UHFFFAOYSA-N 424.523 0.222 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(=O)N1CCCC1 440176583 SVYBUCNIAJPATJ-LBPRGKRZSA-N 414.853 1.463 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)OC)[C@H]2C(=O)OC)c1 442133842 OUXWUINBAKARAK-CVEARBPZSA-N 424.475 0.718 30 20 HCED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)cc1F 442311102 ZJWPSCNNCUPGCV-KBUPBQIOSA-N 403.366 0.587 30 20 HCED N#Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2ccc([N+](=O)[O-])cc12 443485621 GFBFHLDLDIIRBM-IAGOWNOFSA-N 417.447 0.295 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3ccnc3S(C)(=O)=O)CC2)cc1 444405548 RMWHDWGOTHUNFU-KRWDZBQOSA-N 417.491 0.704 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)O1 460595937 FGNBZIFMBGWTLT-GJZGRUSLSA-N 411.466 0.693 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 461743003 PASGJLAGRJJQTC-ZDUSSCGKSA-N 417.491 0.865 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 463612613 NCWHXPGEVDJKTO-UHFFFAOYSA-N 412.471 0.780 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 484580833 FWXMYYXWSSVVHH-JSGCOSHPSA-N 410.496 0.720 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 491034986 KTYDFDLKRZEQPC-UHFFFAOYSA-N 417.491 0.116 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 497582427 MNBLBQDQGWXCGS-UHFFFAOYSA-N 423.472 0.701 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1C 504480447 HCUOEPVWBSDNCO-UHFFFAOYSA-N 409.450 0.097 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(F)c1I 508962861 WTROAZBPKMDYMI-UHFFFAOYSA-N 404.139 0.125 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](N4CCOCC4)C[C@H]3C)CC2)o1 512419622 ASTKNFMCUWVCOK-WBVHZDCISA-N 402.499 0.298 30 20 HCED Cn1cc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(C(F)(F)F)n1 512509146 MHKWFQOYIBPWFM-UHFFFAOYSA-N 421.383 0.671 30 20 HCED CNC(=O)[C@H](NC(=O)CN1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)c1ccccc1 513589394 WANHOBCQJHCOKX-LQNXUBFPSA-N 417.469 0.935 30 20 HCED CCn1cnc2c(c1=O)CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 526019508 XXFVXKPHEJRRQK-ZDUSSCGKSA-N 415.475 0.387 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc(C)c(F)c2)c1=O 533579483 CWUCMZZUSGIDTD-UHFFFAOYSA-N 411.462 0.812 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 534547817 GITXMYTWNCFSRW-UHFFFAOYSA-N 402.495 0.651 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1 538167368 CVYKDVCBMCBGFE-JKSUJKDBSA-N 417.466 0.685 30 20 HCED CNS(=O)(=O)c1ccc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 539265479 QPWSAVYWOHATOM-VQIMIIECSA-N 421.567 0.938 30 20 HCED COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 539369800 JAUBQKVRDPINSD-RTBURBONSA-N 418.469 0.798 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 540966810 CVXRFONHTSNQKV-UHFFFAOYSA-N 411.532 0.642 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 551190407 IAGVNVCUJDIAST-UHFFFAOYSA-N 403.406 0.216 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 551193715 PBYZEPKYAROOGM-UHFFFAOYSA-N 419.445 0.770 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCC4)CC2)c(Cl)c1 559493890 JIBXZHZXAOQYSL-UHFFFAOYSA-N 413.869 0.714 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 561952871 VEWHAPUJKPCSOT-ILRDRHFLSA-N 423.469 0.791 30 20 HCED CN(C[C@@H](O)COCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 576991171 XXPMGDIJOORDKM-GOSISDBHSA-N 417.487 0.873 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 581101057 ZWOKRPRKLVBCBJ-UHFFFAOYSA-N 404.473 0.719 30 20 HCED COC(=O)[C@]1(c2ccccc2)CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 581384827 OYSLMKBLSURUSD-OAQYLSRUSA-N 409.446 1.387 30 20 HCED CCN(CC)CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582995090 GNHMAHXFVBNTEA-KRWDZBQOSA-N 408.524 0.796 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCC1 583101800 QOPGJNSIPIGSHU-UHFFFAOYSA-N 412.494 0.367 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)n1 589392939 HVVNKRLNVAXXMR-UHFFFAOYSA-N 422.449 0.437 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)C1=O 589910021 GZAUHBOCPDQXEO-CQSZACIVSA-N 412.406 0.922 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2nn(C)cc2C#N)CC1 610527825 NDNRRNBEVUNBOF-UHFFFAOYSA-N 409.516 0.951 30 20 HCED 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C[C@H](CC(=O)OCCNC(=O)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 750709831 WDDOFNMYEMDTBM-CYBMUJFWSA-N 416.459 0.872 30 20 HCED CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 750821330 BUWJFVBGGDKHIG-FQEVSTJZSA-N 413.434 0.626 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 753251710 YDGPVDSVTASSBW-CYBMUJFWSA-N 401.510 0.507 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1=O 754465903 OVNHYEMYBBFJLA-FOCLMDBBSA-N 403.395 0.059 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)CC2CC2)cc1 755075201 LJHXXPAQNCOKCN-GBPUDXIESA-N 422.507 0.715 30 20 HCED CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 760371666 AJNHNWWLMBJHDJ-HNNXBMFYSA-N 422.507 0.588 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 761031275 PONKPOJVCYCVQR-MRXNPFEDSA-N 421.498 0.546 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCOc2ccc(Br)cc2)CC1 761039734 ZWXBGOXOWVQTJR-UHFFFAOYSA-N 402.314 0.913 30 20 HCED C#CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 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C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cnn(C)c3)CC2)CC1 1836859669 AGKVYVGLYCCIAM-KRWDZBQOSA-N 416.522 1.000 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837399711 ZYNASMVLRMOEIW-UZLBHIALSA-N 404.467 0.120 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837562789 PQMXNYPCEPMXRC-WNBNNUDTSA-N 400.435 0.459 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnnn3)C2)C1 1837663437 ZWYBAULUXUESEV-LJQANCHMSA-N 406.487 0.122 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)cc1F)CCO2 1839006633 LGOBDZIZTAHBBA-LJQANCHMSA-N 408.357 0.123 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1839174338 UTKFFXNWJYNMFX-NRFANRHFSA-N 419.478 0.605 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(F)c(OC)c3F)C2)C1 1839809408 OHPMTALATGKJLJ-HXUWFJFHSA-N 424.400 0.685 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839961167 XBAAJQMFBDXLPW-VPWXQRGCSA-N 408.520 0.365 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840163192 NUQXAMULABOPQL-KUHUBIRLSA-N 419.507 0.047 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1840171827 BDRUEKXAWOCSJG-HXUWFJFHSA-N 402.451 0.686 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455532 BNLPFTIHALZLOY-FQEVSTJZSA-N 420.535 0.785 30 20 HCED CNc1nsnc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840811173 ADDIOVOGHZAIEU-SFHVURJKSA-N 420.495 0.344 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1840844576 CLSCLDSWVMDBDB-IERDGZPVSA-N 423.510 0.769 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)[C@@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1844795113 YAUCTNIHVHTGNG-CYBMUJFWSA-N 422.445 0.710 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846369807 DTJSWJIKLQUGFU-CHWSQXEVSA-N 401.529 0.784 30 20 HCED C#CCNC(=O)CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 19057971 FJNGNMACRPHOIS-UHFFFAOYSA-N 422.532 0.919 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1 27301727 VZKFQUVKNLHFPY-UHFFFAOYSA-N 423.516 0.989 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCOCC2)cc1 62130840 HZZNWVNXABKQBC-OAHLLOKOSA-N 424.523 0.269 30 20 HCED CN(C)CCOc1ccccc1N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 410196872 BFZAYUZDKJFSJO-KRWDZBQOSA-N 423.539 0.218 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCO[C@H]2C)cc1 435206880 OIOMQZSJPPSXKU-UGSOOPFHSA-N 411.480 0.088 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 439542193 NZUYXXQSGXOFCY-MRXNPFEDSA-N 401.467 0.496 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 441395632 AFJOEWCSRKLZHX-INIZCTEOSA-N 410.478 0.973 30 20 HCED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442515934 XFKQDYAYBBDFKT-OLZOCXBDSA-N 401.398 0.820 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)C(=O)OC 460333846 RFULIRXLZXNFKQ-LLVKDONJSA-N 401.213 0.748 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(C)(C)N1CCOCC1 460600380 VBRVLYPWKGMPCM-UHFFFAOYSA-N 411.466 0.613 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CCC(=O)Nc3sccc3C#N)CC2)cn1C 480414560 VSUIZHJLAHKAEV-UHFFFAOYSA-N 422.536 0.997 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2=O)cc1 487181262 OBFLPTCABQKWKZ-ZWKOTPCHSA-N 410.478 0.905 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)cc1 493979068 WOMXCAFDPXUQQR-HNNXBMFYSA-N 423.495 0.473 30 20 HCED C=CCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)[C@H]1CCS(=O)(=O)C1 498019190 OOGHWWSBESJCCC-YXWQFLTLSA-N 401.554 0.914 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 503429710 FYMXZQNFVSHICU-PWSUYJOCSA-N 419.912 0.429 30 20 HCED CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)NCCn3cnc(C#N)n3)ccc21 508332430 NBRQBEKTSZJONZ-UHFFFAOYSA-N 409.406 0.422 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(COCC(F)(F)C(F)F)c1 508992140 BVAIFMCSBCFKAK-UHFFFAOYSA-N 404.320 0.798 30 20 HCED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 509942793 LJPLCQLNDOPKIE-MRXNPFEDSA-N 421.523 0.813 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)s1 510695186 BBJVMVPMHWAXQJ-GMTAPVOTSA-N 402.502 0.122 30 20 HCED C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 512289372 SJULAZOLRMSVEM-RVHYNSKXSA-N 400.527 0.609 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 521258652 CJABSCMCDIAAPV-CYBMUJFWSA-N 401.510 0.292 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C)cc2)C1=O 524689195 VOELYDZIJXYDHS-CQSZACIVSA-N 416.459 0.812 30 20 HCED COc1ccc(S(=O)(=O)N2CCSC[C@@H]2C#N)cc1[C@@]1(C)NC(=O)NC1=O 543682342 KLIGHBCXTFEWRV-MGPLVRAMSA-N 410.477 0.379 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](Cc2cnn(C)c2)C(=O)O)c1 548552812 XUIVOHVLTAWZNJ-OAHLLOKOSA-N 406.464 0.558 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)c(OC)c(OC)c1 551179837 LNKQJTYOKITVTQ-UHFFFAOYSA-N 401.379 1.178 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1OC 553355433 FHDBJDREEZUQII-UHFFFAOYSA-N 415.475 0.832 30 20 HCED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1C 554184407 WUCDVSRGZPUSRM-QGZVFWFLSA-N 409.494 0.339 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(COCC)cc2)CC1 556056762 UARSPYPTMCZXIX-UHFFFAOYSA-N 402.495 0.286 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 556293324 SZNSIHGDPNGYFJ-SFHVURJKSA-N 412.446 0.568 30 20 HCED N#Cc1ccncc1N1CCN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)CC1 559259544 FVAFDBSAYHMPIM-GOSISDBHSA-N 406.446 0.953 30 20 HCED CN(CC(=O)NC1CC1)c1cc(N(C)CC(=O)NC2CC2)c([N+](=O)[O-])cc1C#N 559585258 BBEBOPSUMCJAQA-UHFFFAOYSA-N 400.439 0.896 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)c1 559931392 BFARHQKTNBCWFR-UHFFFAOYSA-N 407.478 0.494 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 561892960 BCWDLDRDFIWANT-UHFFFAOYSA-N 408.842 0.169 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3ccc4c(c3)OCO4)CC2)n1 570263429 AHSMCGHDYFDOPV-UHFFFAOYSA-N 407.430 0.689 30 20 HCED COCC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 573955993 ASAVVZIOAAXPAF-SFHVURJKSA-N 411.480 0.765 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 577019681 CXCPQFOJDBLDLT-HNNXBMFYSA-N 400.526 0.806 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC(=O)NC2CCCCC2)c1=O 580812466 YHZHRKPLMXJLJU-UHFFFAOYSA-N 401.467 0.711 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC1 581361792 RXDUYIDJXROUJS-QUCCMNQESA-N 405.587 0.628 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 589247441 MABHEFHMASRLKK-NDEPHWFRSA-N 405.480 0.100 30 20 HCED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccn1 590273036 VVSPVVPPXPQIPH-OAHLLOKOSA-N 408.418 0.668 30 20 HCED CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 610149003 JMVRRNSKFNYYEJ-CYBMUJFWSA-N 424.479 0.414 30 20 HCED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 610900803 LRLZTWQEZZUGNM-KXBFYZLASA-N 420.535 0.794 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCNS(C)(=O)=O 730601226 RFUXRZYBPNLIIR-GOSISDBHSA-N 407.448 0.244 30 20 HCED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc(Cl)c1 732909913 IZGDVVRYUGAGBY-CQSZACIVSA-N 421.866 0.809 30 20 HCED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 733161415 PSXDPXJLQYYJGK-UHFFFAOYSA-N 400.504 0.736 30 20 HCED CCS(=O)(=O)CC(C)=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 734751313 PIMDITYICPILBD-UHFFFAOYSA-N 403.530 0.240 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 735479554 PKPHUBOMBIJRCU-UHFFFAOYSA-N 421.500 0.900 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 735586914 FWRHQMBTFWSFAK-XLNRJJMWSA-N 421.523 0.648 30 20 HCED N#C[C@@H](C(=O)c1cccc(Oc2cnccn2)c1)C(=O)N1CCS(=O)(=O)CC1 737343108 SSTWTHJMHRQRMP-HNNXBMFYSA-N 400.416 0.848 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)nc2-c2ccccc2OC)CC1 740822745 CEMJTIDKYMRDIB-UHFFFAOYSA-N 409.490 0.993 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 746363837 AAXDULBVCUYMPE-UHFFFAOYSA-N 420.389 0.814 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 746555788 ZOOYMKYWXXZHFQ-UHFFFAOYSA-N 422.353 0.922 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O 748567369 KHPRTVHWGHJHFG-ZDUSSCGKSA-N 408.455 0.727 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(CC)CC)c1 748745231 SLYSASHOKAHVCE-INIZCTEOSA-N 409.533 0.982 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)N(C)C3CCCCC3)CC2)CC1 748817673 QBWXGPLUBMKOAH-UHFFFAOYSA-N 403.571 0.173 30 20 HCED C=CCNC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 750604011 UQEYXTFETWUKQZ-UHFFFAOYSA-N 405.480 0.951 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 757593234 YBJXWBSBUPPBFK-HIFRSBDPSA-N 408.480 0.752 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(S(N)(=O)=O)cc2F)C1 757604052 KTOQEDJYGZJBMH-HZMBPMFUSA-N 412.443 0.962 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(Cl)s2)c1=O 758040080 GIIPFFUFPXESPT-UHFFFAOYSA-N 421.931 0.914 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758067517 GUKANGHYPQNXJY-UHFFFAOYSA-N 421.526 0.567 30 20 HCED N#C[C@H](C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCS(=O)(=O)CC1 764643413 XKNFZVNCDLNJSN-GFCCVEGCSA-N 417.403 0.360 30 20 HCED CCC[C@](C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 770210340 VITYENFRIHBCRB-IBGZPJMESA-N 423.491 0.485 30 20 HCED C[C@H](CC(=O)N1CCN([C@@H]2CCOC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 771035242 SGWBWDHRGRJUTF-HUUCEWRRSA-N 406.508 0.437 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2cccn2C)CC1)c1cc[nH]n1 772125285 RKVJRUWYYZIKAM-UHFFFAOYSA-N 416.438 0.017 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C#N 772482484 YQDXLBRLZKCQDW-ISLYRVAYSA-N 411.418 0.927 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@H]1CCCO1 773793794 LDEYVBUFLYOSQA-HOCLYGCPSA-N 404.854 0.512 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H](C)c2ncn(C)n2)C1=O 780323899 YJMLKVKBAOKCFG-OMVUSHGRSA-N 401.496 0.950 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC 783618943 XXKJBXNXSGGQRX-UHFFFAOYSA-N 408.480 0.971 30 20 HCED CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)ncn1 787788416 XNUUAKXFRVKROU-KRWDZBQOSA-N 422.493 0.619 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 789402779 HBPXKUWNHVVJFE-AWEZNQCLSA-N 409.402 0.545 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)n1 789788968 XRLCSAAMOOJGOL-UHFFFAOYSA-N 421.461 0.770 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)n1 789792892 AVVIQPRIKBZRPN-UHFFFAOYSA-N 420.267 0.965 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2cc(C)no2)CC1)c1cc[nH]n1 789948585 APGZMOJZHLGPQN-UHFFFAOYSA-N 404.427 0.334 30 20 HCED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(C)(C)n1cncn1 794476212 HQRGRXZDFHSKED-UHFFFAOYSA-N 406.516 0.832 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 796183920 HPSNNFMZHYMWMC-UHFFFAOYSA-N 414.505 0.998 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 800365193 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0.401 30 20 HCED COCCCn1c(S)nc2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccc2c1=O 820475936 CTOROKKPVMYWPH-ZDUSSCGKSA-N 406.464 0.832 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 895699075 HVDYOHJBARAUCL-UHFFFAOYSA-N 407.473 0.639 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N([C@H]2CCS(=O)(=O)C2)C1=O 914550257 NNTJLYOAYUKWDJ-GXTWGEPZSA-N 411.505 0.950 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 916891232 SSPWWVJVLQVUSJ-JSGCOSHPSA-N 419.434 0.537 30 20 HCED COc1c(F)cc(CC(=O)NCCNc2ncccc2C#N)cc1S(N)(=O)=O 917156996 ONGIYBZAKBYFOW-UHFFFAOYSA-N 407.427 0.519 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C 917779791 IPPOBYRWUFNLSH-UHFFFAOYSA-N 421.482 0.169 30 20 HCED C[C@H]1NC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)=NN(c2ccccc2)C1=O 918684890 WJMJJGQSBXPGAF-OAHLLOKOSA-N 403.446 0.940 30 20 HCED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1212367531 NFOKPHVPESCAMV-NSHDSACASA-N 408.299 0.633 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1286630131 QIVSRDRHUFDYTJ-KBPBESRZSA-N 419.935 0.836 30 20 HCED Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1290685949 SLMGMBDPGRRJKS-QWRGUYRKSA-N 412.545 0.887 30 20 HCED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1297677791 WYLUNLPXJGOGMF-IBGZPJMESA-N 419.507 0.839 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1303013505 RRWFWWZVRAGLAT-HOTGVXAUSA-N 409.512 0.726 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)cn1C 1312866572 WCBBNRWYPRFOTM-UHFFFAOYSA-N 420.470 0.955 30 20 HCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNCC(C)(C)S(C)(=O)=O 1321366857 PKYOYRXVTGCQAA-NSHDSACASA-N 410.949 0.951 30 20 HCED CC[C@@H](CC#N)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1473533138 UBMAWXQUHWNOJP-HNNXBMFYSA-N 422.507 0.573 30 20 HCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1501432431 QHYNCZYYMBWALO-UHFFFAOYSA-N 411.466 0.485 30 20 HCED 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30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963176 HCYSJZUKOUTWOV-JXFKEZNVSA-N 417.441 0.588 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCCO2)C1 1781969338 OAOPQWZIMFOBNZ-LIYKDZJNSA-N 405.495 0.538 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783052508 AGRUJYQUBXVYCQ-UXHICEINSA-N 407.467 0.133 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783115741 TURZMKTWZSWOAF-GHTZIAJQSA-N 404.555 0.809 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1783563925 FDPBXDDSUYCFMK-GOSISDBHSA-N 407.810 0.032 30 20 HCED O=C(CN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1783588273 RORIGSLEHCZDMS-IWDKLMIJSA-N 405.543 0.534 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1784517598 DXIQAIWAYUHSKX-DYWXZXKOSA-N 422.507 0.160 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)[C@H](C)CC)[C@H]2C1 1784553704 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30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H]1c1cccnc1 1802606987 UJBGKYJMOCXGGM-DLVXIWMQSA-N 412.490 0.652 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1c1cccnc1 1808452667 SYKFZBLETYDZPC-YLJYHZDGSA-N 416.478 0.733 30 20 HCED C[C@](O)(C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(F)(F)F 1812874889 NLNWJJSGOVNOOX-NUTKFTJISA-N 413.352 0.489 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812878820 MGNQQQQQPPUDGM-NRXGSXMXSA-N 400.435 0.042 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812879983 LQTRZYFIDVWLFM-OGWOLHLISA-N 400.435 0.976 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CCCn2ccnc2)[C@@H]1c1cccnc1 1813357800 LNYLVKVFNNPEDL-UTKZUKDTSA-N 409.446 0.852 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCCC3=O)sc2C1 1814585642 LTMWDNVDXJNODP-OLZOCXBDSA-N 404.492 0.716 30 20 HCED NC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819852614 YVXKNMVSJOEAPA-LBPRGKRZSA-N 419.507 0.422 30 20 HCED C[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1)n1cnnn1 1821609139 VVMDADDJEQZOTB-MWLCHTKSSA-N 411.451 0.816 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(=O)c1ccco1)CC2 1825665251 ZNKNWLNUGQRYRV-JTQLQIEISA-N 416.415 0.166 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830060890 WEVLEOJPKCQQEC-HXUWFJFHSA-N 407.467 0.502 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1831414595 ZVTWEBLNSFOIDQ-FQEVSTJZSA-N 421.498 0.107 30 20 HCED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831843908 GCGGEVGZWIDBFV-RDJZCZTQSA-N 401.573 0.211 30 20 HCED CSCC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834603574 JGCHMASTUICNLJ-QGZVFWFLSA-N 408.568 0.976 30 20 HCED CC1(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)COC1 1834714299 BPGKFBIIHLSIAD-UHFFFAOYSA-N 419.570 0.876 30 20 HCED Cc1cc(C)n2ccc(C(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)c2n1 1834767709 VVGUWGGKFZWUGG-NRFANRHFSA-N 411.462 0.935 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1834770303 XKIJQZDZWOGDDF-UCHJRYNZSA-N 414.524 0.517 30 20 HCED COCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834975065 VPYJDACJADJCGU-FQEVSTJZSA-N 405.426 0.343 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4Cc5ccccc5CN4)C3)C2)CC1 1835342351 RLUXCOXWHSPGON-AUSIDOKSSA-N 424.501 0.461 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)c(OC)cc(OC)c1F)CCO2 1835490240 CRIYTMSKKVXLJI-HXUWFJFHSA-N 424.400 0.685 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1835712869 IFFGKGFIRLNAJH-QGZVFWFLSA-N 419.526 0.874 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835912709 MYWXMCRCDQUBDT-GHTZIAJQSA-N 400.479 0.626 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836110003 VPKWWZCZJBFRJB-LJQANCHMSA-N 419.507 0.575 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc5ccccn5n4)CCO3)C2)CC1 1836392853 GBRGUNXNQDKGST-FQEVSTJZSA-N 410.434 0.103 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1837314745 WGFIVDGFRHXXBL-WIYYLYMNSA-N 417.510 0.893 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837479675 OYIBQAHWIWUXQI-DNVCBOLYSA-N 402.455 0.037 30 20 HCED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837562049 BLFVBPAIBCYOJY-JLDPKJTDSA-N 406.483 0.107 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837652010 LIUPAYIFSLHNGQ-LJQANCHMSA-N 422.869 0.874 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838645522 ISBKSBCIXSAQFV-FOIQADDNSA-N 405.451 0.448 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1839225359 HCTVKCUUPHITNO-YZLZLFLDSA-N 411.499 0.811 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715139 JDCRLNRRZQEAAT-DYESRHJHSA-N 420.510 0.221 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc(OC)c3OC)C2)C1 1839809001 AZCAKCSFEFVJEI-HXUWFJFHSA-N 406.410 0.546 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839841447 RRSQOENZSAQLPO-DJJJIMSYSA-N 406.439 0.170 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1839846314 OIQNFUXFMDTFGH-BXWFABGCSA-N 414.524 0.232 30 20 HCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc(F)c1F 1840044919 HAJUXUDZAWVCRT-HXUWFJFHSA-N 422.384 0.431 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840291468 PZBWVTQVWQPFHI-RXVVDRJESA-N 407.511 0.551 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840536770 YQTRUFGDBPLRJE-GCJKJVERSA-N 420.506 0.178 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(F)nc4)C3)C2)CCC1 1840814556 QBQCUPICATWERJ-HXUWFJFHSA-N 402.426 0.985 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1840820359 LQGIBDZYRFUGNR-CSODHUTKSA-N 417.437 0.751 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840834379 IWAOJHVIGCBRRR-NRFANRHFSA-N 415.421 0.746 30 20 HCED 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RFOFKQBWZJNCFM-UHFFFAOYSA-N 423.495 0.724 30 20 HCED C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)CN1CC(=O)N[C@](C)(C#N)C1CC1 441908370 JICWHALFNFSYME-WGKKAQPQSA-N 414.554 0.998 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cn1 442429446 DKPVRRMXPJYYSQ-UHFFFAOYSA-N 424.461 0.647 30 20 HCED Cc1nc(C)n(C[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CCO2)n1 443320193 MAHVNBOCBUVXLT-CYBMUJFWSA-N 406.424 0.765 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCSC 443670559 VWNOJYBKMWKQOR-UHFFFAOYSA-N 421.519 0.678 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)nc1 446085686 ZWHBJERVIWSAIZ-RNIPGJKVSA-N 420.473 0.592 30 20 HCED CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)CC1 448242052 PMEMJWWXUOGNQD-INIZCTEOSA-N 417.441 0.574 30 20 HCED N#CCCCOc1cccc(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 461870811 KENMYYXTZNYRDF-UHFFFAOYSA-N 406.420 0.978 30 20 HCED N#CCCn1ccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)n1 470503287 FCYKBIZURJPBGB-UHFFFAOYSA-N 405.440 0.857 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)CC2)c1C#N 472990449 ONCFUXBMRWRVKF-OAQYLSRUSA-N 421.461 0.617 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 475348196 BZXYPVFGCODVCY-SFHVURJKSA-N 419.441 0.903 30 20 HCED Cn1ncc(C(=O)NC2C(C)(C)C(NC(=O)c3cnn(C)c3C#N)C2(C)C)c1C#N 476219223 DHQASAASFWDNMD-UHFFFAOYSA-N 408.466 0.860 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 481203201 DMZNQRWYQZNZSC-BLLLJJGKSA-N 422.532 0.653 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 484676790 HWSKJSOBKVCREZ-UHFFFAOYSA-N 400.501 0.259 30 20 HCED COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)C2 485010794 XRJXZQMPNGGCRQ-VBKZILBWSA-N 424.417 0.116 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 485038110 BQENJKWKUGYNDD-VBKZILBWSA-N 410.434 0.543 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@]2(CCOC2)O1 485038111 BQENJKWKUGYNDD-VLIAUNLRSA-N 410.434 0.543 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486642775 VHLMNXAAHNLEJG-MRXNPFEDSA-N 414.443 0.819 30 20 HCED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489254104 JPUKONCLBWBZEW-RISCZKNCSA-N 412.899 0.774 30 20 HCED COc1ccc(C(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)cc1[N+](=O)[O-] 490652869 OLMIJSVXTBGJDB-UHFFFAOYSA-N 419.438 0.408 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)C1=O 490674209 OIFDKOKRAHFQDJ-UHFFFAOYSA-N 422.482 0.133 30 20 HCED CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H](C)CS(C)(=O)=O 494045752 AJGZDXNASNACLU-ZDUSSCGKSA-N 401.510 0.774 30 20 HCED C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O 494164447 QCVRMRXVJHWCLX-WQVCFCJDSA-N 407.434 0.262 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 500648351 DHOMQXSMDKJHBM-LBPRGKRZSA-N 422.912 0.568 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCSC 502046314 HDUFWFYSFZAVTQ-UHFFFAOYSA-N 405.549 0.426 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCN3CCC[C@H]3C(N)=O)C2=O)cc1 503934857 CJACQUKJAXYDSN-MSOLQXFVSA-N 412.494 0.693 30 20 HCED COCCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 504611000 DJAQDGPCOJNPRY-UHFFFAOYSA-N 423.539 0.542 30 20 HCED C=CCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508506558 FSBPBOSYELAYCX-KRWDZBQOSA-N 413.526 0.839 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(OC(F)F)cn3)CC2)n1 511084668 DLYQXRFHYABUPZ-UHFFFAOYSA-N 416.388 0.915 30 20 HCED CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 513245613 ZPVUHIBDZHIBJN-ZDUSSCGKSA-N 412.381 0.474 30 20 HCED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 518007652 OBFGVQFHFULUEF-GFCCVEGCSA-N 418.928 0.459 30 20 HCED Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 525391863 DUWVEXOURJLLKA-HUUCEWRRSA-N 413.521 0.883 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 535329628 KGLBFBBUQATQEL-AWEZNQCLSA-N 421.527 0.382 30 20 HCED C=CCN(C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[C@H]1CCS(=O)(=O)C1 541757395 YFIRONBDYWUHFM-INIZCTEOSA-N 421.523 0.676 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ncc(F)cn3)CC2)cc1 545411265 OHXBIFZUBURYNX-UHFFFAOYSA-N 403.439 0.751 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C3CC3)[C@]3(CO)CCCO3)CC2)o1 550140816 JZSHURMTXLJKNR-UYAOXDASSA-N 403.483 0.413 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccc(C#N)cc1 550978623 DKVAGRYTPPEFAR-PBHICJAKSA-N 404.492 0.762 30 20 HCED COc1cc(N2C[C@@H](C(=O)NCCn3cnc(C#N)n3)CC2=O)cc(OC)c1OC 552673571 ANGSZUYINLBBRY-LBPRGKRZSA-N 414.422 0.345 30 20 HCED COCCOCCOCCS(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1 558766266 RBYGLVRXUNNXDW-UHFFFAOYSA-N 415.487 0.829 30 20 HCED Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 579405693 LHQJHWOQBMIGNS-OAHLLOKOSA-N 411.462 0.380 30 20 HCED C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1c(C#N)c(=O)n(C)c(=O)n1C 589816910 WPBFJUACPTVWMH-GFCCVEGCSA-N 410.434 0.156 30 20 HCED N#Cc1cc2c(nc1N1CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC1)CCC2 603855206 FLTKZULSEFGLJV-UHFFFAOYSA-N 401.448 0.645 30 20 HCED N#C[C@@H]1CN(C(=O)c2cc(I)ccc2-n2cnnn2)CCO1 609268459 UHAFCRGYYDVMDX-SNVBAGLBSA-N 410.175 0.631 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3c(C#N)nnc4ccccc34)CC2)C[C@H](C)O1 610128847 LMGXTEPAIFKCJU-GJZGRUSLSA-N 416.507 0.977 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 610810764 GSQAAFHWUOIPQW-BBRMVZONSA-N 423.491 0.794 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 615257000 MHOGZLAVBAQHLP-UHFFFAOYSA-N 418.450 0.637 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 726547065 ZSVMXEYGDTWLKK-AWEZNQCLSA-N 424.548 0.885 30 20 HCED CC(=O)N1CCC(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 729447028 WYVMPKWOMQWSKC-UHFFFAOYSA-N 406.508 0.880 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1F 730083806 WMHUGKNFKDPFTG-SJORKVTESA-N 411.499 0.961 30 20 HCED N#Cc1ccc(NCCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)nc1 732240987 QUPLOGZCUVYOSI-OAHLLOKOSA-N 410.500 0.153 30 20 HCED N#Cc1ccc([C@H](OC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)C(N)=O)cc1 734556400 PRBCLZCGTIIKNK-SJORKVTESA-N 409.377 0.887 30 20 HCED Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)s1 736580868 BUNGEWOPHLWJFP-UHFFFAOYSA-N 416.528 0.680 30 20 HCED C[C@H](CC(=O)NCCNC(=O)c1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 742513952 ZSARVQBAILHRMQ-GFCCVEGCSA-N 404.448 0.643 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1 742643279 XRVOSXBDQRRQSC-UHFFFAOYSA-N 416.478 0.560 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 744622589 DRTIBCYHAXKICM-UHFFFAOYSA-N 415.475 0.184 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 746531905 IGOWLWPCNAJQLH-UHFFFAOYSA-N 422.353 0.922 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)n1cccn1 754387553 VIJKHXVOJGIBLV-GJZGRUSLSA-N 404.471 0.874 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 754618594 KDZSILWQDZMDID-INIZCTEOSA-N 408.476 0.666 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 761037848 LOLJIAJHAAWNQH-AWEZNQCLSA-N 416.511 0.344 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761104553 VMFHLAHLRYMQEV-UHFFFAOYSA-N 419.457 0.679 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 764031659 FNLLNZLTCOPOFE-LBPRGKRZSA-N 420.447 0.995 30 20 HCED C#CCN1CCN(C(=O)CN2CCC(C(=O)NCCCN3CCCCC3)CC2)CC1 764383151 NSEYSKBBWGFANV-UHFFFAOYSA-N 417.598 0.468 30 20 HCED CC(C)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 767676890 PSAARQLVJGCSMO-WMLDXEAASA-N 423.491 0.652 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)[C@H]1CCCO1 773058807 UYWSTUCAKGXRBC-UONOGXRCSA-N 402.494 0.916 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)cc1 774019435 MBYBHFVSLDXBDK-UHFFFAOYSA-N 401.444 0.909 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774511567 PBHVPXBKLLEWSQ-UHFFFAOYSA-N 410.499 0.478 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 785165786 VDGRPFVCIGUOTG-UHFFFAOYSA-N 423.491 0.574 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787570847 RPPHAAPDRINHEM-STQMWFEESA-N 409.464 0.856 30 20 HCED CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787756208 OOQCOQNMZJQTLZ-HNNXBMFYSA-N 416.482 0.949 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 787788107 UJSFXGWTQJNIJQ-KRWDZBQOSA-N 406.446 0.793 30 20 HCED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 798488011 DEZWAXUJSDMJND-LLVKDONJSA-N 414.427 0.580 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2ccc(C(=O)O[C@@H]3CCN(CC=C)C3=O)nc2)C1=O 798596335 FDHGCCFIONSXQX-IAGOWNOFSA-N 413.430 0.969 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(CC)CC2)c1 805697923 KUOGVGQZPUVBCK-OAHLLOKOSA-N 407.492 0.308 30 20 HCED C[C@H]1CN(c2ccc(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 810014768 CGHBTZVICRDNSW-GASCZTMLSA-N 409.512 0.871 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)n1 811251540 RGCBASRKHKLYSC-CABCVRRESA-N 407.448 0.305 30 20 HCED C#CCn1ccc(CN(CC)C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)n1 811472188 ZMJRTQQBSRMAPM-UHFFFAOYSA-N 417.491 0.802 30 20 HCED COC[C@H]1CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 815813130 ATBFWYQSKGZHQX-XSOQZJFOSA-N 408.480 0.685 30 20 HCED CO[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1CC1 815852606 BLPCZMGCKIWFFH-UDWOFDDZSA-N 422.507 0.979 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C1CC1)[C@H]1CCS(=O)(=O)C1 843375223 XXSWDCDOEAAMAL-ZDUSSCGKSA-N 411.505 0.293 30 20 HCED C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N1C(=O)CCC1=O 917689414 BQARDUXAHARQEU-FWORZXNSSA-N 406.464 0.975 30 20 HCED Cn1cnnc1[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 918101245 CFQBFFHJSSCKJY-ZDUSSCGKSA-N 402.480 0.650 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1079140976 KLVWZBGNJJFHHP-QKDSSNGWSA-N 402.491 0.668 30 20 HCED 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0.917 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5CN4)C3)C2)CC1 1835342356 RLUXCOXWHSPGON-WMZHIEFXSA-N 424.501 0.461 30 20 HCED C[C@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359878 MTSPXMXULVFUCY-OXJNMPFZSA-N 401.467 0.642 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835482906 PUCLLCWMJVYGHP-LJQANCHMSA-N 400.447 0.700 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1C)CCO2)C(F)(F)F 1836554368 AWXJWOAJRFVMGG-INIZCTEOSA-N 402.373 0.907 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837785776 WBDYTTNUSDAYKE-QRIYWZMZSA-N 420.466 0.614 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnc(Cl)n4)CCO3)C2)CCC1 1837927707 CKKFGRAZRLWRGW-IBGZPJMESA-N 419.869 0.894 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838724562 RKSOJAGVBVPZDV-UHFFFAOYSA-N 400.479 0.655 30 20 HCED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)CCCN1 1839121901 JVFHYGQVJFBWJS-YADHBBJMSA-N 412.490 0.770 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839970188 JJDMIZGQGXEWDN-AUUYWEPGSA-N 412.483 0.979 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840089925 NEAHZPPZTHAPDN-QRWLVFNGSA-N 411.499 0.932 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cc(C)cn3)CCO2)C1 1840402427 DNUUKEAQALFZRX-UEXGIBASSA-N 418.494 0.247 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@@H]4CCOC4)CCO3)C2)CCC1 1840592241 ZWYQQOPBWXDDRD-UTKZUKDTSA-N 405.495 0.953 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cc3O)C2)C1 1840843524 SZVHGOPAGXCJNF-OAQYLSRUSA-N 402.447 0.884 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnc3cc(C)ccn3c1=O)C2 1841600426 ZFLCOXPRXWRSDS-MRXNPFEDSA-N 408.458 0.858 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1 1841960343 SLEFIKGDZZNKFM-HNNXBMFYSA-N 418.570 0.839 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841969858 XVANFUXAFUSHQF-MRXNPFEDSA-N 400.479 0.588 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1842943659 ZXJWAMPNKODBCR-INIZCTEOSA-N 402.882 0.488 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843836789 HMYXCLIRCDVTAM-OAHLLOKOSA-N 417.597 0.816 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccs3)CC2)c1 31807622 DEPWOBBDTYAXEH-UHFFFAOYSA-N 400.460 0.912 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C(=O)C(=O)NC2CC2)CC1 52903067 XHGVBPPCMSEECW-OAHLLOKOSA-N 415.469 0.884 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C 409516346 WUYBVSYBNUAUNI-KBPBESRZSA-N 404.533 0.881 30 20 HCED CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)N(C)C[C@@H](C)C#N 409550178 DMRSVZPFJDGRPC-AWEZNQCLSA-N 402.542 0.940 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCO1 409592809 FWYISJIIQZTLET-HNNXBMFYSA-N 409.464 0.522 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)n1 438783043 OOAJRGWNSGZZIX-UXLLHSPISA-N 402.499 1.374 30 20 HCED C=CC[C@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 440264597 JHUXXNYSUDVYBB-ZDUSSCGKSA-N 408.480 0.217 30 20 HCED Cc1cc(NC(=O)C(=O)N(C)CCN2CCN(c3ccccc3)CC2)nn1CCC#N 441081043 QZTFRLMMLPLXDS-UHFFFAOYSA-N 423.521 1.324 30 20 HCED COCC[C@H](NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(N)=O 442289788 JLYNEXLMGHUNHA-NSHDSACASA-N 402.329 0.444 30 20 HCED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1cccc(Cl)c1C#N 443074927 ANZHWJBBBGWCBJ-UHFFFAOYSA-N 401.872 0.708 30 20 HCED Cn1cc(C#N)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 443406916 BQHZSCNOPCJKOH-UHFFFAOYSA-N 411.465 0.113 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccs2)c1=O 443670063 RPFSVSYHTSSOLE-UHFFFAOYSA-N 421.569 0.696 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cn1C 443686313 UXWFQFIDZIXMJF-UHFFFAOYSA-N 407.390 1.150 30 20 HCED C[C@H](C(=O)N(C)C)S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 447786121 DODIRJQXLFOVQF-CYBMUJFWSA-N 404.496 0.655 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 463388424 GTKHGISCPVSRRX-JKSUJKDBSA-N 415.537 0.741 30 20 HCED N#CCCCOc1cccnc1NC(=O)NCCNS(=O)(=O)Cc1ccon1 466614106 OCUDENXKROBSAJ-UHFFFAOYSA-N 408.440 0.993 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccc(C#N)cc1OC(F)F)C2 467284164 ONHNDHINPRADMN-UHFFFAOYSA-N 406.393 0.622 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)c1C#N 471707371 VWNMQJUMCDSXDM-IYBDPMFKSA-N 412.494 0.814 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@]1(C#N)CCOC1)n2C 478640921 NXJQNSCCUBFLIA-SFHVURJKSA-N 405.480 0.555 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N(C)Cc1ccccc1 480503081 CCRNPWITDNAYBJ-HNNXBMFYSA-N 414.487 1.000 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1 481029697 BBXIQKDUHUYTRQ-GOEBONIOSA-N 410.496 0.529 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481256992 WGTZEBQRUVHPSI-HOCLYGCPSA-N 406.508 0.990 30 20 HCED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489294045 PZZLZMVXKVMGMN-NWDGAFQWSA-N 424.548 0.671 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)N(CCC#N)CCN2CCOCC2)c1 499338031 RUOHPQUXZONIFI-UHFFFAOYSA-N 424.523 0.299 30 20 HCED CC1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)CC1 508343285 QVNCUEWXQJZHLP-UHFFFAOYSA-N 409.450 0.777 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 510148835 RACRZEUVHMFNFM-AEFFLSMTSA-N 405.524 0.888 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)n1 510628679 JMHVXNWXGOXZHM-CABCVRRESA-N 422.445 0.771 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1 523120048 ZYGRYPQEVRTDJW-INIZCTEOSA-N 416.482 0.389 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCCc3cnn[nH]3)CC2)cc1 544373304 ZKGASMDEJFJKQH-UHFFFAOYSA-N 402.480 0.922 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)c(F)c3)CC2)n1 545489848 ZTRGEWJZILWKJW-UHFFFAOYSA-N 420.408 0.960 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)C1=O 552661117 MGUQHQURHHOPSM-QAPCUYQASA-N 400.479 0.635 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 562114869 DRRZJXMOATZNSV-UHFFFAOYSA-N 423.430 0.131 30 20 HCED N#Cc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cnc1C(F)(F)F 569507399 JDZLJBJOIKEYCI-UHFFFAOYSA-N 423.351 0.405 30 20 HCED CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)NCCn1cnc(C#N)n1 572193912 VXNAIPDJYYTNHW-UHFFFAOYSA-N 406.468 0.664 30 20 HCED CCOC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 581222461 AGPAXPVLVYELBQ-KRWDZBQOSA-N 409.464 0.311 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1 581757669 SIBHIYDSHHZPKP-UHFFFAOYSA-N 406.493 0.589 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 588289120 YLTACWNMQLBNHM-GFCCVEGCSA-N 414.509 0.918 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COCCOC)cc2)c(=O)n1C1CC1 588858394 CGPKQBMXSHSNRT-UHFFFAOYSA-N 413.499 0.657 30 20 HCED C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609296784 VYXUKAAOESINDA-OAHLLOKOSA-N 401.515 0.891 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)c1C#N 611166457 YIPVDFOWPGYWKX-JTQLQIEISA-N 409.472 0.344 30 20 HCED C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@@](F)(C#N)C1 615638967 KGUDEFYDSDHRKO-RDTXWAMCSA-N 410.471 0.972 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc(OC)ccc2OC)C1=O 726042611 LJEJOVBCWHYEOF-NSHDSACASA-N 419.390 0.551 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732779575 XNMXRUVOLFBKNO-AWEZNQCLSA-N 405.524 0.010 30 20 HCED CCCOC(=O)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 737305494 KTTNDRDOVDTHFW-MSUUIHNZSA-N 414.418 0.835 30 20 HCED C=CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)[C@@H]1CCS(=O)(=O)C1 741188334 MGWRXBWOZVDVSX-CQSZACIVSA-N 415.512 0.267 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741210853 DBGYYFLQFCXRSK-GOSISDBHSA-N 405.543 0.348 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 747226566 PALBQJPRINUYBB-CQSZACIVSA-N 414.465 0.105 30 20 HCED N#Cc1csc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 752586540 KEDYVFNTVKCKGE-UONOGXRCSA-N 412.489 0.971 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 755553629 RFFQWGOEYKISTK-OLZOCXBDSA-N 401.427 0.611 30 20 HCED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 757692386 CSNOHXMAYIZDHP-UHFFFAOYSA-N 416.415 0.982 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2csc(CC)n2)c1=O 758060481 COJATHAKASQUOX-UHFFFAOYSA-N 400.529 0.837 30 20 HCED C#CCN(CC#CC)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 760660530 RIOLBQFPEQMUDF-UHFFFAOYSA-N 403.504 0.932 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCCO1 763464693 BXDQTNOROPZVGN-MRXNPFEDSA-N 414.531 0.845 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C[C@@H]1COC(=O)C1 766324729 HBLUCEQJVUREMB-ZDUSSCGKSA-N 413.386 0.863 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCCSC 767882362 CROZUDJBRGJSBR-UHFFFAOYSA-N 406.558 0.925 30 20 HCED C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)C2=O 771076939 BZIJQHWHHOVJAW-STQMWFEESA-N 410.496 0.873 30 20 HCED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 777514094 PSSFQHJDVODTIO-UHFFFAOYSA-N 401.872 0.393 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 780057121 ZTCXLKDAVGSTCR-CYBMUJFWSA-N 408.480 0.752 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)cc1C#N 782003837 FGKQMHHCJVDFHR-CQSZACIVSA-N 403.395 0.039 30 20 HCED Cc1nc(Cn2cc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)nn2)no1 786396675 LPFNOLWLPNPHJG-UHFFFAOYSA-N 407.799 0.662 30 20 HCED COc1ccnc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)c1 787777215 ZEIZFJICTWSDNA-UHFFFAOYSA-N 409.450 0.234 30 20 HCED COCC1(C)CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 789829586 LNVMQANZQQXLQF-LTGZKZEYSA-N 422.507 0.933 30 20 HCED CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 790011524 OFMAMZPUESSCJJ-UHFFFAOYSA-N 411.509 0.749 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 790325368 MPCWMWKFQBUSBN-DLBZAZTESA-N 424.542 0.753 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OC[C@H]1CCCS(=O)(=O)C1 791473776 REVWOUIAGHDVRV-CYBMUJFWSA-N 414.505 0.873 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cn3ccc(C)cc3n2)n1 793745101 ROSKFEZKGRADFY-UHFFFAOYSA-N 408.462 0.764 30 20 HCED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)[C@@H](C)n1cnc(C#N)n1)n2CC 798740271 PCXHZYHIFWSXCW-LLVKDONJSA-N 414.426 0.886 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1cccc(OC)c1OC 799286611 IZBJRBODUDNOFI-HNNXBMFYSA-N 400.435 0.778 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 802627990 HMFCPARMTCHYBB-UHFFFAOYSA-N 423.466 0.803 30 20 HCED O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 804631710 OJADQNOYIRPYIM-NOJWBWKLSA-N 420.466 0.799 30 20 HCED CON=CC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 809680355 MLFHSJMCVXMEOM-UHFFFAOYSA-N 418.313 0.999 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 810778496 AYDQPZHWCSVURY-UHFFFAOYSA-N 400.478 0.563 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)NCCNc2ncccc2C#N)cc1 916228461 DBTDFIDELHTCGY-UHFFFAOYSA-N 402.480 0.914 30 20 HCED CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 918406566 UUEJVISUFGHFSC-UHFFFAOYSA-N 406.446 0.942 30 20 HCED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3sccc3C#N)n(C)c2n(C)c1=O 920603905 CSPVZISWUAFECM-UHFFFAOYSA-N 401.404 0.304 30 20 HCED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 920731024 LCOGPRLTTARIOJ-UHFFFAOYSA-N 421.475 0.527 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc(OC)cc(OC)n1 1006389606 QEBOBOOPQZRYML-ZSAUSMIDSA-N 402.451 0.947 30 20 HCED N#C[C@H]1CN(S(=O)(=O)c2cnn3cc(Br)cnc23)CCN1C1CC1 1213393625 PZCVSMZMCRHNTP-LBPRGKRZSA-N 411.285 0.853 30 20 HCED CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1298670000 YWGBJQSOBKAFHA-QWHCGFSZSA-N 415.420 0.842 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 1319377868 NSAOKXHQUAEMIE-KRWDZBQOSA-N 404.492 0.512 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cccc(OCC#N)c1 1321507235 LOHJPYWJSYWGSD-LJQANCHMSA-N 400.435 0.821 30 20 HCED COC(=O)C[C@@](C)(NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccn1 1448166497 RRIGAPWJOLNURA-LJQANCHMSA-N 416.459 0.826 30 20 HCED CS(=O)(=O)CCn1cccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)c1=O 1476358673 SFAQOHUBDIVNMT-UHFFFAOYSA-N 421.504 0.998 30 20 HCED CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1503253886 KUWSDKFANVBZRH-ZDUSSCGKSA-N 404.500 0.398 30 20 HCED CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1517633748 TUYCBMLZVNOGDG-QGZVFWFLSA-N 409.516 0.080 30 20 HCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1519607814 ZYBSUXPGVCYIMX-OAHLLOKOSA-N 401.452 0.095 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)C[C@@H](C)O1 1543741262 VOYVQGIQXAQMNM-OKILXGFUSA-N 410.471 0.809 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c(=O)nc1O 1610996516 KQKWGPSBEYKCMO-AWEZNQCLSA-N 419.800 0.925 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1622214614 UTXDFEFSBRBQKP-VXGBXAGGSA-N 400.254 0.599 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cccc(Br)c2C#N)C1 1622318664 YYJLUGLGJNKXTO-NXEZZACHSA-N 403.254 0.865 30 20 HCED CC(C)C(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1706245811 XYVNKGOSHDWSNL-OAHLLOKOSA-N 408.528 0.692 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)CCO1 1767713317 QVPJJFXQZMYGMK-QGZVFWFLSA-N 406.450 0.734 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474305 CZNVDNGOXHPHMP-IQTGRTGDSA-N 422.445 0.885 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1779020261 LOSRQXISYWOHFG-FLTLQLIESA-N 406.527 0.839 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779918199 VMGRIQALEXEYCU-AGJWPYNWSA-N 419.438 0.155 30 20 HCED Cc1c(C(=O)N2CC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn2[nH]cnc(=O)c12 1780016578 MAOYPZNEUDXIIW-NRFANRHFSA-N 409.446 0.188 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(=O)nc5cccnn45)C3)C2)CCC1 1780062221 BPWDFLPGDQVZSD-OAQYLSRUSA-N 422.445 0.227 30 20 HCED CN(C)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1780374490 VIMOCGUOIRJMBG-XMSQKQJNSA-N 413.474 0.968 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780425262 JBSPKALAXLHEFM-QRWLVFNGSA-N 402.451 0.357 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780990002 HLZNYOMZKZWCSW-DDQAZAJHSA-N 416.478 0.983 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1781391761 VFPVUTXXAJBRFB-UHOFOFEASA-N 409.405 0.931 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1781396777 QFRFAPQVEHFTNI-FOIQADDNSA-N 414.466 0.974 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1781961266 KULKFKDDPUJRKH-HXUWFJFHSA-N 416.409 0.593 30 20 HCED CC(C)n1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782013565 WCLCOMWSPMNMCR-OXQOHEQNSA-N 402.451 0.680 30 20 HCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)N1CCOCC1)C2 1782358701 UWPKBWUKVJTDQR-KAGYGMCKSA-N 421.538 0.345 30 20 HCED CCC1(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)COC1 1782948687 JSUFDKXADOTYDR-JOCHJYFZSA-N 404.507 0.942 30 20 HCED NC(=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1783153063 HJRQHKYXIFLNGL-FQEVSTJZSA-N 403.866 0.787 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785869251 RAMHOGWNXJTZGJ-LNLFQRSKSA-N 417.506 0.961 30 20 HCED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CC[C@@H](N)C(N)=O)CCC2)cc1 1786358772 ZMVNIIWTZLOPON-RHSMWYFYSA-N 400.479 0.752 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)N1C[C@H]2C[C@H]2C1 1788515195 SSJRCUMSKXARRO-XOLGHGBMSA-N 411.506 0.820 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4nccn4)[C@H]3C2)cc1 1789971414 ATNDMSVEERRSQB-FHWLQOOXSA-N 408.462 0.638 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1)C2 1793340073 JIIJSUNZILVHKO-NKXHUJMZSA-N 406.479 0.204 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccnc1OCC)C2 1793341428 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O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1ccnn1 1803024272 HLINBXAEBKNVMG-XAHGCBPQSA-N 404.471 0.835 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)N(C)C(C)=O)[C@H]1c1cccnc1 1803547099 FYAUGZCHBLBKBN-YKCBXCCJSA-N 414.506 0.993 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCC3(CCCN(C(=O)C#CC4CC4)C3)CC2)CC1 1805887516 LNQLTSHZHNSMBL-UHFFFAOYSA-N 414.550 0.795 30 20 HCED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812352788 FMJRMRDUIHUNFT-WPKBUWHJSA-N 417.491 0.980 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881347 ZEPWDAOFOYSWGC-OXQOHEQNSA-N 413.430 0.685 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815765462 KUQNWARFGXRYHB-BNOWGMLFSA-N 416.438 0.038 30 20 HCED N#Cc1cc(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](N)CN)sc3C2)ccc1F 1817071116 GMVCVTZQDKGPCJ-JSGCOSHPSA-N 416.482 0.595 30 20 HCED C#CCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](COC(C)=O)OC(C)=O)sc2C1 1819862111 XUANBCJMCROCDS-DZGCQCFKSA-N 421.475 0.963 30 20 HCED COc1cccc(CC(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825664083 PKFKLDLZANEHPF-LBPRGKRZSA-N 414.443 0.789 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cc([N+](=O)[O-])cn4)C3)C2)C1 1829663097 GWFDQHFMDDZAHH-LJQANCHMSA-N 419.438 0.214 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCN(C)CC4)C3)C2)C1 1829666729 LBXOTRRNGQFRQB-JOCHJYFZSA-N 420.554 0.047 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C3)C2)C1 1829669386 WYVUQUGNTRPBGQ-FOIQADDNSA-N 408.499 0.117 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1831216678 YLOLNWKRXHTOBC-OAQYLSRUSA-N 409.446 0.441 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1831397555 ZYPFPRHBEOYJCU-YWZLYKJASA-N 405.426 0.329 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1831418280 BHPMKJULWXVLEC-HRAATJIYSA-N 419.478 0.751 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc(C)c3C)C2)C1 1831418598 FERXGVLGNBHRLI-OXQOHEQNSA-N 407.467 0.953 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831421606 LSGYAAXPRQCPNG-HRAATJIYSA-N 419.478 0.046 30 20 HCED CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n1 1831485979 QBGMPEAITRHPGU-APWZRJJASA-N 410.540 0.927 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO3)C1 1832148624 AOTLDMQKQZHQJI-IAGOWNOFSA-N 406.401 0.722 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CCC1 1832783792 OVBHFPGRWPGDDJ-SJORKVTESA-N 403.527 0.893 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@H](CC)NC(N)=O)CC3)CC2)C1 1833048643 MZMBIKJYCSDNLM-SFHVURJKSA-N 405.543 0.971 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1 1833977074 FTIRYPCGFHNIFT-JXFKEZNVSA-N 404.467 0.120 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cncnc2)CCO3)cc1 1834308063 RXYMYDAQMXCIPZ-QFIPXVFZSA-N 421.457 0.926 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1)CCO2 1835295342 NVYNBCZFKNLNBK-SFGWALBWSA-N 416.474 0.215 30 20 HCED C[C@@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835531154 OYMPVIUHMPWCOT-XOBRGWDASA-N 404.442 0.362 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835591658 AJPJXSTZSXROON-KWZHZPIKSA-N 420.510 0.528 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1835680659 JEODRNGTSCQXJK-IBGZPJMESA-N 410.490 0.617 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836013821 DOUKDGJLVRLVMC-PGRDOPGGSA-N 419.522 0.977 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1837395121 PRUAUHDLGDVBKY-LAUBAEHRSA-N 420.510 0.546 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837902285 QJMMOHRPDZKZCU-QRWLVFNGSA-N 405.426 0.329 30 20 HCED C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839091046 TXAAMPYZAGOVHB-UQCDQJGUSA-N 406.527 0.961 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1839222432 NJKBHEDVKKKGGI-HLIPFELVSA-N 421.498 0.701 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839516486 VRSJDPRGVBKZNT-NRFANRHFSA-N 414.462 0.149 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839890184 MFRLGGRXMQQDGT-GOSISDBHSA-N 412.437 0.859 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1)C(F)(F)F 1839892056 PUIRMHUEXKPBNI-INIZCTEOSA-N 400.357 0.665 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840173051 YTYMSURKTIACTD-LJQANCHMSA-N 401.423 0.081 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cccn1 1840443348 HQKRLPLUYQZJBC-YWZLYKJASA-N 412.450 0.414 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820953 SHKSBIIMBSMUMI-HRAATJIYSA-N 417.462 0.428 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843081905 SFFYXHWFEBNYOI-OAHLLOKOSA-N 416.482 0.398 30 20 HCED COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260334 PGOKKEDOCDKDJR-CJLVFECKSA-N 424.542 0.731 30 20 HCED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846011416 KAWULYAOIPVKAF-UHFFFAOYSA-N 414.434 0.867 30 20 HCED Cn1c(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)c(C#N)c(=O)n(C)c1=O 14266707 ZKDIKSVNUQEOTE-UHFFFAOYSA-N 407.477 0.286 30 20 HCED C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2C#N)CC1 29858541 JACQLJNQEHAKHX-GJZGRUSLSA-N 408.499 0.853 30 20 HCED N#Cc1c(CCCNC(=O)N[C@@H]2CCS(=O)(=O)C2)nn(-c2ccccc2)c1N 42871916 RWECBVSXTGEBSY-CYBMUJFWSA-N 402.480 0.745 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)c1 47435190 NRFWAWQHOGNPBJ-UHFFFAOYSA-N 400.464 0.365 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 149387758 RAVXZTKRCTYBNB-HNNXBMFYSA-N 408.480 0.081 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 410104339 JKKMTPVWWNLBES-GUYCJALGSA-N 422.507 0.557 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1=O 410115348 KPTAGBOTLRVION-MRXNPFEDSA-N 424.523 0.124 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)CN2CCN(C)CC2)cc1 429465077 BILTUJQBFGMHQP-OAHLLOKOSA-N 402.499 0.685 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@H](O)C(=O)OC)CC2)cc1 438267096 OVBBSXCXZHWMQD-INIZCTEOSA-N 403.435 0.313 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)C[S@@](C)=O)cc1 442021814 IVMXTHODRLXQAH-WHDAMIPWSA-N 415.537 0.657 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460594113 DMAQMTYJGHMKBU-OAHLLOKOSA-N 410.434 1.188 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)[C@H](C)n2cnc(C#N)n2)C1=O 466338854 YIDOXLPPMOCGBT-GZBFAFLISA-N 404.471 0.794 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1=O 469843556 VMVACKTXNWNBAP-KRWDZBQOSA-N 414.462 0.371 30 20 HCED C=CCN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 472728636 NJUVQHCFZLJMFP-CYBMUJFWSA-N 410.887 0.929 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2cccnc2)CC1 480131901 AVXSVTORQVPVRF-INIZCTEOSA-N 413.503 0.964 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1OCCO 482832642 BQEQTAFMAZZMCC-AWEZNQCLSA-N 403.460 0.913 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@](O)(C3CC3)C2)CC1 489161640 PVQXPINIPYODNE-HXUWFJFHSA-N 418.519 0.238 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccn(CC(N)=O)n3)CC2)cc1 490031610 HWWIIOJBHRLVHN-UHFFFAOYSA-N 416.463 0.279 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 491079999 KNDVHXGOVJBNDP-GOSISDBHSA-N 416.478 0.239 30 20 HCED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 503889006 ZHBXXJYKKWVVGN-MFKMUULPSA-N 411.392 0.582 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccncc2)c1=O 505102346 KDGPWVQFOTUUPQ-UHFFFAOYSA-N 400.529 0.840 30 20 HCED N#Cc1ccccc1N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 507304723 MCXUIBIBBRZSGG-UHFFFAOYSA-N 407.474 0.861 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)c1 508030675 QFCJHPJUXHBNAO-UHFFFAOYSA-N 420.516 0.977 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)C(=O)C1 508870731 BMQMBARFIUZBCJ-UHFFFAOYSA-N 419.507 0.830 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508957224 XRMYQIDXPVLGPX-CQSZACIVSA-N 406.487 0.115 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 512159820 MFKUUKKTTKVFQZ-ZWKOTPCHSA-N 406.508 0.969 30 20 HCED C=CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H](C)c1cccc(-n2cnnn2)c1 518231007 VWWMPIIGPPOKMX-AWEZNQCLSA-N 409.454 0.731 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 537038656 YHIFBESZHOPMRZ-GUDVDZBRSA-N 407.559 0.542 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 540727911 SNMRUJITVLSWCO-UHFFFAOYSA-N 405.498 0.427 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)cc1 543677592 LBJDDNKLQJBOSM-UHFFFAOYSA-N 406.489 0.836 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCN2CCOCC2)n1 543932233 BGBCDYKXNKQQNS-UHFFFAOYSA-N 402.842 0.784 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](NC(=O)NC3CC3)C2)CC1 545504964 GPUUNNBNCMZIBE-SJORKVTESA-N 416.551 0.993 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 551041952 DTTWVVCBRZLUTP-HNNXBMFYSA-N 408.480 0.033 30 20 HCED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 555243648 CAVQQVFKAIZUAJ-ROUUACIJSA-N 418.542 0.727 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 556624507 SNNAUXYWTXWOIJ-LJQANCHMSA-N 407.474 0.957 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccnc(N4CCCC4)c3)CC2)nc1 559599265 CCMBBEAMTMOKHA-UHFFFAOYSA-N 419.489 0.913 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 569373653 PDTNYBVTASWNPO-AWEZNQCLSA-N 404.496 0.678 30 20 HCED COCCO[C@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 576609109 BCZSXSFVAOQQPZ-INIZCTEOSA-N 412.450 1.040 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC=C)[C@@H](C)c2cccc(-n3cnnn3)c2)C1=O 595986341 BMUUIKACIQEKEU-AWEZNQCLSA-N 423.433 0.715 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 609077638 INMXVYDEQPGSHD-QGZVFWFLSA-N 406.508 0.177 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCN1CCCS1(=O)=O 613159754 OZTFZTSSYJBVMY-UHFFFAOYSA-N 403.468 0.995 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)NC2CC2)c2ccc(F)cc2)C1=O 726043366 SRCVQIGYOCIHOG-HNNXBMFYSA-N 403.366 0.665 30 20 HCED CN(CCCNC(=O)COC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)S(C)(=O)=O 728350169 ZTRKCTRIQVVKTK-QGZVFWFLSA-N 422.507 0.468 30 20 HCED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(OCC(=O)N2CCOCC2)cc1 731154757 BMPBIRITPIWQBJ-UHFFFAOYSA-N 411.422 0.506 30 20 HCED Cc1noc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 737254599 POVMWSYFWZYMEH-HMAPJEAMSA-N 420.451 0.446 30 20 HCED N#Cc1cccc(-c2nnc(COC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)o2)c1 745482499 PBNWNAGXQSKLLL-KFZJALRRSA-N 408.370 0.814 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)O[C@H]2CCN(C3CCOCC3)C2=O)cc1 746962203 AESMMMIMOKTGSO-KRWDZBQOSA-N 406.460 0.796 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccccc3-n3ccnn3)CC2)o1 752301925 HPFDJRMQEMRGPY-UHFFFAOYSA-N 421.417 0.941 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 758077303 VVISGZKNXGKSKB-UHFFFAOYSA-N 405.479 0.603 30 20 HCED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 765250092 BSFHKAIHCXAEOG-FZMZJTMJSA-N 419.463 0.127 30 20 HCED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 766759168 KJTBHOOEAVWVAG-UHFFFAOYSA-N 410.471 0.903 30 20 HCED C#C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@H]1CCCO1 773553652 BDXNPUGKVDJILJ-OKZBNKHCSA-N 414.510 0.762 30 20 HCED Cc1nn(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1-c1ccccc1 774094364 KEWIEYGBGSBYRR-MRXNPFEDSA-N 400.460 0.824 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 774904725 VAUBTHRVPVOHDC-CYBMUJFWSA-N 424.545 0.043 30 20 HCED C[C@@H](CC(=O)NCc1ccnc(N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 775803152 KKPQYFRDCGMCLK-LBPRGKRZSA-N 402.480 0.676 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)c1cnn(C)c1 778401116 BHLPBGCJSTYCGN-JKSUJKDBSA-N 419.507 0.723 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 778707862 XJTISEAATAXEKX-DLBZAZTESA-N 406.527 0.916 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCNc2ncccc2C#N)[C@H](C)O)cc1 779500146 PNCQUTGGRHISBZ-YOEHRIQHSA-N 417.491 0.518 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 780050856 PFECASJIFDXLCP-RHSMWYFYSA-N 400.435 0.766 30 20 HCED C#CCN(C(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 783479662 FZKQBOHBQIVKFQ-GFCCVEGCSA-N 412.489 0.739 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 783547065 VGLWDBHCNCRFSJ-UHFFFAOYSA-N 416.521 0.810 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccc3c(c2)CCC3)CCC1 784213261 OSENYHZHFSDSFY-MSOLQXFVSA-N 411.458 0.856 30 20 HCED C#CCOCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 784550808 SFNOVRAPXZSLLG-UHFFFAOYSA-N 423.491 0.514 30 20 HCED C#CCOCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 784765697 DEWNBDAXHJDMQU-HNNXBMFYSA-N 400.884 0.639 30 20 HCED CN1CCC(n2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n2)CC1 786199063 BKTJZNQOYFRVAL-UHFFFAOYSA-N 402.480 0.827 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c[nH]1 786904461 GUPCMMBEXKZULD-SFHVURJKSA-N 424.413 0.554 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1)c1cc[nH]n1 789992821 OHUANLIKRXJQGT-GOSISDBHSA-N 421.841 0.864 30 20 HCED C#CCn1ccc(CN(CC)C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)n1 790114706 CEZZOFAJBNRRJR-UHFFFAOYSA-N 423.477 0.869 30 20 HCED C#CCN1CCC(C(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)CC1 791947719 XBIQDFTYPIEXRQ-LJQANCHMSA-N 400.527 0.669 30 20 HCED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)NC1(C#N)CCC1 795837156 UDRIVDDUSHMBGV-HNNXBMFYSA-N 401.341 0.724 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1 801293179 GMVVBFBQPWYYRJ-UHFFFAOYSA-N 400.464 0.561 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1COC2=O 808928730 NICALCTTZLNTOA-GFCCVEGCSA-N 406.402 0.694 30 20 HCED CNC(=O)CNC(=S)NN=Cc1cc(I)cc([N+](=O)[O-])c1 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C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN(C)C(=O)C(=O)O)sc2C1 1824667578 OFQYQKPPCORLHO-WDEREUQCSA-N 424.479 0.189 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CSc1nc[nH]n1)CC2 1825674676 MYDPBTGRXFKOND-MRVPVSSYSA-N 406.449 0.054 30 20 HCED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(CCO)CCO)CC2 1826045644 YPOXFRGCYVZCON-AWEZNQCLSA-N 408.524 0.145 30 20 HCED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1826690214 PJUOTPWUWJPRJC-OAHLLOKOSA-N 412.454 0.350 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1829873809 WSYPPJJZSASQHO-XZEIMLRBSA-N 418.494 0.251 30 20 HCED Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cccc1=O 1830054299 LAFBWGIQZLKQDD-HXUWFJFHSA-N 402.451 0.005 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)CCO2 1830067958 UQYKDMMAEISQHR-OAQYLSRUSA-N 421.494 0.476 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830760902 RLWDDBGSZJEFJF-WAOWUJCRSA-N 424.542 0.728 30 20 HCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216374 MYISSENNFAMHSS-QFIPXVFZSA-N 413.474 0.882 30 20 HCED CCc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nn1C 1831216676 YKJOMXDJCCANJM-OAQYLSRUSA-N 400.479 0.466 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1831402632 NHAMCQJKVFODLD-SIKLNZKXSA-N 417.506 0.763 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1831424936 OIFUJBMLXYTTRW-ACJLOTCBSA-N 410.496 0.386 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831434719 FVLWFRIDAXNGJT-HLIPFELVSA-N 411.499 0.835 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1C 1831483963 TUZAUIQZAVHFNH-AZUAARDMSA-N 424.567 0.682 30 20 HCED Cc1cccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831835615 ZWSGKXVZCNUTMY-NRFANRHFSA-N 409.446 0.974 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1833464674 MNNUUPYUMURFOQ-AWEZNQCLSA-N 403.483 0.339 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(C)[nH]3)CC2)CC1 1833577012 KGXBKPARPAONGX-OAHLLOKOSA-N 401.511 0.942 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)no3)CCO2)C1 1834226073 VLBQGIOTAGOCKQ-DNVCBOLYSA-N 408.455 0.854 30 20 HCED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834987926 YNESSSMSLVMZJM-FQEVSTJZSA-N 405.426 0.804 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344495 ILMYPRZNUFOHLP-FOIQADDNSA-N 414.466 0.037 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)CC1 1835345621 RGRSWQLRXLGOTK-FQEVSTJZSA-N 410.434 0.103 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC#N)CCO3)n1 1835364409 UVTSGIQUJONKMB-HXUWFJFHSA-N 403.483 0.650 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835503988 FHDBYBKOGPZXRX-CJNGLKHVSA-N 404.558 0.024 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835591660 AJPJXSTZSXROON-SVVBMMATSA-N 420.510 0.528 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835596107 NZQGREMFUIGEIZ-JNAXZKDPSA-N 403.483 0.330 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835823809 BOZXXKSGUMURIQ-UTKZUKDTSA-N 415.494 0.478 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837306310 ZUQYXIKYMPNQHK-LZJOCLMNSA-N 405.495 0.490 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3conc3C)C2)C1 1837395331 XIJUJXDIWJLWQO-UZLBHIALSA-N 407.467 0.626 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)[C@@H](O)C=C)CCO2 1837399472 UYWGTZPANUNEEI-PNLZDCPESA-N 424.538 0.589 30 20 HCED Cc1[nH]ccc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443881 SVNWIXWULFIIQI-GWJNGDFSSA-N 417.510 0.865 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1837526822 GQPZKDVLZGBXQT-ZMNJEPIRSA-N 422.438 0.274 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838106425 YHKQZRQJUYKTCT-SVRLSDIQSA-N 418.406 0.162 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839119707 NHUFWMQYEVBVDX-QFIPXVFZSA-N 403.523 0.875 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839123512 SWAIHDGHGDQXTD-QZTJIDSGSA-N 401.454 0.796 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1)C(F)(F)F 1839891147 NZIRLQRUHLRCAO-DYVFJYSZSA-N 419.400 0.088 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840014028 FFSCDANPUVOKDY-NPJMMCDESA-N 408.499 0.094 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840161570 UAKARAKVNYQXPA-ACJLOTCBSA-N 410.496 0.054 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1840210470 KWKNUFSADVKBAS-VBKZILBWSA-N 405.426 0.802 30 20 HCED Cc1ncc(/C=C/C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1840519616 PAJUVTJOSLAADK-LSTKMXGYSA-N 419.459 0.009 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1841748046 BHZKMJKYIMVKCX-CQSZACIVSA-N 408.499 0.925 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CS(=O)(=O)N3CCCC3)C2)c1 1843414234 QSWCOXVERCYJDY-UHFFFAOYSA-N 416.503 0.801 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)c1 1846460610 HTXRAAUPWNRWIX-UHFFFAOYSA-N 408.414 0.309 30 20 HCED C#CCCCC(=O)N1CC2(CCCN2C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1 1847089165 NADMQYABYIZAJV-HNNXBMFYSA-N 420.510 0.762 30 20 HCED CCCCN(C(=O)Cn1cnc(C#N)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 14143498 OTTWDEQQYQKNOO-UHFFFAOYSA-N 422.449 0.464 30 20 HCED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 52355354 SVBDHYIPQVVQIF-CYBMUJFWSA-N 414.441 0.244 30 20 HCED N#Cc1ncn(CC(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)n1 426859345 OZLHITBAUULWJW-UHFFFAOYSA-N 408.509 0.745 30 20 HCED N#Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2=O)cc1 432517388 GBMQTBRBTCKWMT-IAGOWNOFSA-N 402.476 0.690 30 20 HCED CN1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 441462262 AUVKBSZOHPFTBW-QZTJIDSGSA-N 407.478 1.079 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 444566386 DNIQPBBBKSWYQL-UHFFFAOYSA-N 424.461 0.851 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 447752616 WKPBXXLROYMIDZ-UHFFFAOYSA-N 418.516 0.431 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCCS(=O)(=O)c2ccccc2OC)c1=O 463763189 CJIIARKVNNDIGB-UHFFFAOYSA-N 421.475 0.416 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1 465122723 RADCSMDFBJZXKG-HNNXBMFYSA-N 414.491 0.706 30 20 HCED CNS(=O)(=O)c1csc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465193070 IRDHCVFHTUFVMI-NSHDSACASA-N 406.493 0.669 30 20 HCED CC(C)[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)N1CCN(C)CC1 465223999 WTRQWLOLJWQWQQ-HKUYNNGSSA-N 414.558 0.840 30 20 HCED CCC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 467417477 GBJBOFAXUKWEEK-RBSFLKMASA-N 424.469 0.275 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(CCC#N)CCN1CCOCC1 470191034 RZTNQPMXPKKZBW-UHFFFAOYSA-N 409.512 0.129 30 20 HCED CCN(CCO)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 470594773 NRPQNHFIBXSMAU-UHFFFAOYSA-N 408.524 0.389 30 20 HCED CC(C)CN(C(=O)CN1CCOC[C@@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 471228186 WCGUFJWORHMMIR-AWEZNQCLSA-N 406.487 0.400 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 473488429 KEKNJZZXDSHBKY-INIZCTEOSA-N 417.510 0.664 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 475678883 KRWUBZBCEDUBPW-NSHDSACASA-N 422.371 0.783 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)c1 479475655 GUBLHKBVCKDWAZ-UHFFFAOYSA-N 420.491 0.745 30 20 HCED COc1ccc(Br)c(C(=O)NCCCNC(=O)Cn2cnc(C#N)n2)c1 481869365 OLNBGQHWFLGJKF-UHFFFAOYSA-N 421.255 0.857 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486597164 CEXVJGOLFVKYGK-QGZVFWFLSA-N 420.491 0.379 30 20 HCED CCN1CCN(CCCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 497972075 OYJQPZOLKQLTTN-UHFFFAOYSA-N 421.567 0.713 30 20 HCED CN1CCN(C(=O)CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 498597887 NKABHXGKBFWZHS-UHFFFAOYSA-N 406.508 0.658 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 503287002 BYWSHHDGQAXETE-AWEZNQCLSA-N 422.507 0.329 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc(Br)cc(C(=O)O)c2)n1 505834882 VGPJFMCXDBSHMK-UHFFFAOYSA-N 400.214 0.589 30 20 HCED CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508316528 IQEVJWSZCWQUFE-UHFFFAOYSA-N 405.440 0.056 30 20 HCED C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508896823 UNHDUPMEXZOMBZ-UHFFFAOYSA-N 409.494 0.721 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)c2)c1 513591205 CWRYLNHKENXKSQ-UHFFFAOYSA-N 421.457 0.624 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2cccc(C)c2)C(=O)OC)C1=O 520732585 MOAUVULCGHRJRM-HNNXBMFYSA-N 401.419 0.420 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 522166485 FGVUTFLFDAMMDO-UHFFFAOYSA-N 422.507 0.526 30 20 HCED N#CC1(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)CCC1 526126480 VKBRPHDWANNNNP-CQSZACIVSA-N 406.512 0.948 30 20 HCED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 527335302 VHCGYBHWCDBPPH-UHFFFAOYSA-N 422.507 0.412 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(N)=O 530317739 MNGOPSWSNRFBDC-UHFFFAOYSA-N 401.492 0.291 30 20 HCED C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 534565754 PNMQKAAHANHEKK-IRXDYDNUSA-N 419.526 0.808 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)O)C2)c1 537473880 GPBRJGIQELFXEA-HNNXBMFYSA-N 423.491 0.546 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 540037298 HNWSHGARZOXADF-UHFFFAOYSA-N 423.535 0.450 30 20 HCED COCCN(C(=O)CCC(=O)NC(C)(C)C#N)c1c(O)nc(=O)n(CC(C)C)c1N 542829930 ITXOPKOMMWSHJZ-UHFFFAOYSA-N 422.486 0.365 30 20 HCED COC(=O)c1cn(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)nn1 551253210 XMOQUTAFCHAPPV-UHFFFAOYSA-N 401.402 0.607 30 20 HCED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 552658592 OSVNNJQVTHRVDJ-DOTOQJQBSA-N 406.508 0.814 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H](C)N1CCOCC1 553277125 AKWPBMTUZAZGOP-BJLQDIEVSA-N 413.522 0.448 30 20 HCED C=CCOc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 553578716 YVMLEFGULCBONF-WVSUBDOOSA-N 413.434 0.615 30 20 HCED COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H](C)C(N)=O 553615948 SJNNDADUTOGCEU-MAUKXSAKSA-N 405.474 0.357 30 20 HCED CC(C)(C)OC(=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 557769188 ZVXGBJUZEGSUNQ-INIZCTEOSA-N 414.462 0.623 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 558569855 VJOMSMNLIKJFRM-UHFFFAOYSA-N 418.435 0.805 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCC)c(F)c2)CC1 561423030 VMSPZFVMHBDQSW-UHFFFAOYSA-N 406.458 0.287 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(F)c(F)c2F)CC1 561742231 FEMUICOCGQLUIC-UHFFFAOYSA-N 412.412 0.209 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](c3cccnc3)C3CC3)CC2)c1C#N 565622055 RSIJDGRSCPFJID-SFHVURJKSA-N 407.478 0.911 30 20 HCED C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(N)=O)C1 566385104 SQQCYRXDPJYQTK-MRXNPFEDSA-N 423.477 0.942 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566649577 JLNZXRZHSTXFCP-KBAYOESNSA-N 406.508 0.547 30 20 HCED COCCOCCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 569455402 ZYQYDNHKPNQCIL-MRXNPFEDSA-N 406.458 0.952 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2nnc(C)s2)cc1 581103968 ZFOPWFNLOMBGPE-UHFFFAOYSA-N 423.520 0.950 30 20 HCED N#C[C@H]1N(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC[C@@]12CCCCO2 584272065 XAUJUFKJAFRXFT-QAPCUYQASA-N 404.448 0.832 30 20 HCED Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)nc12 588301765 KUMUNSCPBNBLGH-UHFFFAOYSA-N 417.473 0.917 30 20 HCED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 589159477 UXKAKPLIQMOLFQ-UHFFFAOYSA-N 407.426 0.920 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CC(C)C 590912728 IGEFUPRVCHYMGH-UHFFFAOYSA-N 420.560 0.987 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)CN2CCOCC2)CC1 598929494 HHUUWWWFUWKWLT-LJQANCHMSA-N 413.522 0.798 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 604524333 RLBYYUNCUBRLGW-UHFFFAOYSA-N 406.508 0.610 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 609336047 PETJXYBDEKMDJN-UHFFFAOYSA-N 405.524 0.832 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 609457857 IOCIRDMDQTYMLB-LJQANCHMSA-N 409.490 0.751 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4F)n3)CC2)c1 611147624 FSCFLUZQYGJNSE-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 619835944 NQHJCZCHYSDWCM-UHFFFAOYSA-N 420.369 0.592 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)C1=O 677837699 KAVKGJJTWUTPBS-UHFFFAOYSA-N 400.435 0.559 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnc(C)s2)c1=O 725763438 LGORLUATUXEYSM-UHFFFAOYSA-N 418.544 0.837 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(-c3ccc(OC)cc3)o2)C1=O 726043315 UYKXMXHZJUKXJS-UHFFFAOYSA-N 400.347 0.765 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cn1 729030382 GNTTZNAJYMWRPR-SJORKVTESA-N 406.460 0.414 30 20 HCED CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1 729483433 UEQLTLJYRUXCFL-UHFFFAOYSA-N 401.510 0.330 30 20 HCED CC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737268222 BDDPWEXDQBPBAY-IGCAKMCNSA-N 410.496 0.715 30 20 HCED COC(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C(=O)OC 743229518 KMXBSKVACDYJMT-NXVVXOECSA-N 416.390 0.908 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(Br)cc2Cl)c(=O)n1CC(N)=O 743728750 WBYWKTOOVZPNNP-UHFFFAOYSA-N 423.679 0.838 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 746354364 HPDNPKCBXPBMTM-UHFFFAOYSA-N 410.390 0.058 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 751495934 DACZNEDZDKLIBI-INIZCTEOSA-N 418.450 0.579 30 20 HCED COC(=O)COc1c(C)cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1C 752182893 WNLYQOXBPKXXAD-HNNXBMFYSA-N 422.459 0.435 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 754252591 FMDZBIWSVVBHKC-UHFFFAOYSA-N 405.454 0.269 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 756894216 JJSKYTPASMVXLJ-KKUMJFAQSA-N 414.528 0.923 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)CC2CC2)C1 758597027 NPMWGFZHZCLEEY-UONOGXRCSA-N 400.501 0.869 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 761025630 WRMNAYQUNCGDDO-OAHLLOKOSA-N 422.507 0.260 30 20 HCED C#CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 768870851 DNYRFWDEENPQEY-UHFFFAOYSA-N 403.460 0.897 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCN(c2ncccc2F)CC1)c1cc[nH]n1 772640104 MNQCWDNLHRUMRO-UHFFFAOYSA-N 418.429 0.967 30 20 HCED CCOCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 773617055 BQZWHLLXNGNVJS-HMMYKYKNSA-N 412.468 0.522 30 20 HCED CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 773880114 COYWRJCVEWCWIL-RCCKNPSSSA-N 423.495 0.032 30 20 HCED C[S@@](=O)CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 775989631 VNUBWHVWIAIIDY-YMGMXPECSA-N 423.608 0.453 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc1 778838938 XMQNWYLZMCVRKI-KKXVALRJSA-N 422.507 0.714 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc1 785335857 XYCWILJTFACLKX-OAHLLOKOSA-N 400.391 0.767 30 20 HCED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC(O)(CC#N)C2)C1=O 793870728 SEKKOGMOGQOZND-INIZCTEOSA-N 421.251 0.703 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c2C1 796935296 WIEIMUOYNYGSQB-OAHLLOKOSA-N 415.475 0.713 30 20 HCED C#CCC[C@H](O)CNC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 798377952 FILUCZGCDQEKIP-IBGZPJMESA-N 402.495 0.921 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1ccccc1S(=O)(=O)C(F)F)n1cnc(C#N)n1 798743139 ZFLXVSTVTQSHEH-SECBINFHSA-N 413.362 0.889 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1cccc(OC)c1OC 799286614 IZBJRBODUDNOFI-OAHLLOKOSA-N 400.435 0.778 30 20 HCED COCCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 800709392 DQBHNLITSKQSIA-UHFFFAOYSA-N 415.538 0.930 30 20 HCED CCOC(=O)c1cnn(C2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1C 807286535 NKIDKEVONJHGJM-UHFFFAOYSA-N 413.438 0.891 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNS(=O)(=O)c2cccnc2)[C@H](C#N)C1 811042000 LVNPXZWHLWHMEG-TZMCWYRMSA-N 409.468 0.235 30 20 HCED C#CCC[C@H](O)CNC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 811494157 RHXPTIVZZBOCBZ-ZDUSSCGKSA-N 412.468 0.584 30 20 HCED C#CCN(C)c1cnc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)cn1 813342542 SNBKSCREILUGCJ-UHFFFAOYSA-N 409.431 0.835 30 20 HCED NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(N4CCOCC4)ccc32)cc1 915932683 ZPVUFDUIIHZKGV-UHFFFAOYSA-N 401.448 0.939 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2ccc([N+](=O)[O-])n2)cc1OC 917427149 TUHUSVACBAJAFF-ZDUSSCGKSA-N 401.379 0.876 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)N(C)C)c1 918242144 XJYRYCSXRMYMIO-CJLVFECKSA-N 423.539 0.894 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 918477840 LYACVFPSCMWIQH-AKKXKAEUSA-N 421.523 0.648 30 20 HCED C#Cc1cncc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)c1 990951644 DTHACMIEDJTNAP-SXJNSPEGSA-N 418.457 0.260 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1 1115908186 CPYHOBPRSZCXDI-INIZCTEOSA-N 412.471 0.917 30 20 HCED COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1116119757 NTZQHYHZXHGXDP-QIVXWBPLSA-N 407.423 0.246 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C1CC1 1116377847 QOPVLLVASJLLAB-UHFFFAOYSA-N 417.462 0.658 30 20 HCED COc1ccc(NC(=O)CN2CC(C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1193942721 OWTJUUYXBCKTHV-UHFFFAOYSA-N 408.480 0.500 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1286630716 UELVELAWBGHNTB-ZDUSSCGKSA-N 405.908 0.590 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1297697787 QUVWMXYGHPPRDX-UHFFFAOYSA-N 402.480 0.578 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1316348735 OGGGNWCGZBUGFN-ZDUSSCGKSA-N 405.436 0.447 30 20 HCED C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCC(C(N)=O)CC1 1318042021 UTWVZWWTYAGOCW-CZUORRHYSA-N 412.446 0.567 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@]1(N2CCOCC2)CCSC1 1318515810 IMEHVQJDRVUAGB-WXWBBQJKSA-N 409.512 0.020 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=CC(C)(C)S(C)(=O)=O)nc2)CC1 1319488974 IJZQFFLLSHXWGU-UHFFFAOYSA-N 403.530 0.239 30 20 HCED Cc1nc(Cn2nnc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)c2C)no1 1326645164 YFYYBNVTCWLWOY-UHFFFAOYSA-N 407.438 0.992 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1332226709 SINVBMAVZHEEBY-YQQAZPJKSA-N 404.492 0.745 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C3CC3)C3(CO)CCOCC3)CC2)o1 1473595088 OBWNMWPVBHVJDS-IBGZPJMESA-N 417.510 0.661 30 20 HCED CS(=O)(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCC1 1519504876 MMISSZWDXSUQNA-CQSZACIVSA-N 406.512 0.936 30 20 HCED CCOC1CC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1548036940 JSHULAPLLOHTIT-PJOPYLDSSA-N 406.462 0.886 30 20 HCED Cc1cccc([C@@H]2C(=O)NCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1557638793 MDIZJLQQOSUXDQ-LJQANCHMSA-N 412.471 0.845 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(=O)N(CCC(F)(F)F)C2)c1 1558982795 MLJXUVLJAKWDTC-UHFFFAOYSA-N 404.370 0.417 30 20 HCED N#Cc1ccc(OC2CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)C2)cc1 1611238759 UDLUWRGGYPZQSV-IBGZPJMESA-N 424.432 0.890 30 20 HCED COc1cc2c(cc1S(=O)(=O)N1CCN(C3CC3)[C@H](C#N)C1)C(=O)NCCC2 1665513191 PGBRLTCSPRGYAJ-OAHLLOKOSA-N 404.492 0.732 30 20 HCED COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cs1 1712223972 MJYUADTYDRBZRB-CYBMUJFWSA-N 405.484 0.796 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777952261 YLHGCKHDURVDLS-FFCJBUTOSA-N 422.445 0.885 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1778909617 RDTZCLLITYLLIL-UZLBHIALSA-N 420.535 0.820 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C1(O)CCC1 1779014842 XOCDRAFEXGPHHC-SGECOUMVSA-N 406.527 0.839 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1781399278 BAMMHTDQVASAEJ-OXJNMPFZSA-N 405.499 0.984 30 20 HCED Cc1c(F)ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1N 1782010193 BFDZNQVJWOZLJY-IIBYNOLFSA-N 417.437 0.932 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnn1 1782762890 CQBOOKDEGNPNOV-KKSFZXQISA-N 424.461 0.620 30 20 HCED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1783215906 RATGDAVCDUMNNT-WKWJGNFBSA-N 423.466 0.299 30 20 HCED O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)CN1 1783627197 UZQMJOZJBMROKM-FYQPLNBISA-N 409.486 0.544 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784500923 DKZADUROAJKUKJ-OWSLCNJRSA-N 406.527 0.839 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1784535860 BWGVYYJFXYYJCF-LSTDLKDCSA-N 412.600 0.168 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1csnn1 1784672842 ITKLIKOEFGURHB-LAFXESRHSA-N 406.512 0.603 30 20 HCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)CCC1 1785362985 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Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10517386 BLFCLRHTMZNIBI-UHFFFAOYSA-N 409.493 0.593 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 22826364 ASPRYBIPYBAVNL-UHFFFAOYSA-N 414.466 0.875 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 64767778 QPWJGNNOMVVXMM-UHFFFAOYSA-N 419.445 0.431 30 20 HCED Cc1cc(NC(=O)CNS(=O)(=O)N2CCO[C@@H](C#N)C2)ccc1Br 409586220 USJTVKITGNWFSC-LBPRGKRZSA-N 417.285 0.755 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCO1 409595145 OYHYQPNNSKURRK-ZDUSSCGKSA-N 400.423 0.042 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)NC[C@H]4C3)CC2)cc1 431587440 WIQVKNDQWQENJT-INIZCTEOSA-N 417.491 0.195 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1C#N 440989540 LLXCFZFIUBPOGG-KRWDZBQOSA-N 404.467 0.435 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc1 441929572 PVFACJRVKXRNGS-ZDUSSCGKSA-N 408.480 0.700 30 20 HCED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)ccn1 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WGMRCEKGNBHTCS-UHFFFAOYSA-N 409.240 0.576 30 20 HCED C=CCNC(=O)NC(=O)Cn1nnc(-c2ccccc2I)n1 499238613 VNOVTNJRDPBPRY-UHFFFAOYSA-N 412.191 0.957 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1=O 500365826 ONYSVCNAODHSSM-HNNXBMFYSA-N 400.435 0.706 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 502268612 OFAIRVBIJBECCQ-UXHICEINSA-N 423.517 0.862 30 20 HCED CC1(C)CN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 505420433 IDABZGLWLANZTC-QGZVFWFLSA-N 413.478 0.990 30 20 HCED Cn1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C(F)(F)F)n1 512530015 XPYZMRBDEYNPJF-UHFFFAOYSA-N 421.383 0.671 30 20 HCED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 521360677 VRDJZOATHANCTC-UHFFFAOYSA-N 423.429 0.792 30 20 HCED COC(=O)Cc1csc(NC(=O)CN2CCN(c3cnccc3C#N)CC2)n1 522056411 HTUCSASOERGFJU-UHFFFAOYSA-N 400.464 0.886 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2csc(C)n2)c1=O 523463958 KYWJVZHJJDZNCK-UHFFFAOYSA-N 420.560 0.987 30 20 HCED CCCN(CC(=O)OC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 530413349 IOIOGDFBWDZXHV-UHFFFAOYSA-N 422.507 0.276 30 20 HCED CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 535350376 PXHBFMXOZGWLHV-PBHICJAKSA-N 422.507 0.984 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCC(=O)N2CCOCC2)ccc1OCC(F)(F)F 538483732 AGQODUVTYWXECN-UHFFFAOYSA-N 414.340 0.413 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)n1 546903921 RPFKNUUIQHMHMT-UHFFFAOYSA-N 403.406 0.216 30 20 HCED COc1ccc([C@@H](CNC(=O)NCC(=O)NCC#N)N2CCOCC2)cc1OC 561422059 TZHWVMMXBRPFBO-OAHLLOKOSA-N 405.455 0.016 30 20 HCED CNC(=O)CN1CCC(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 568456608 IUPLQWYSUSOJPY-UHFFFAOYSA-N 405.528 0.365 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCNS(C)(=O)=O)C2CC2)cc1 569944167 MUKDXSJKPLUHCI-UHFFFAOYSA-N 401.510 0.305 30 20 HCED C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 573312855 WPOKVJLBURNJIM-LZQZEXGQSA-N 411.506 0.968 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)c1 581339197 MNBPWMLLZVOGBI-UHFFFAOYSA-N 417.466 0.829 30 20 HCED N#CCNC(=O)CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 588772292 XWOGIJUQNBVHLJ-MRXNPFEDSA-N 418.450 0.471 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 610810771 HHURZOTYXVFERB-XJKSGUPXSA-N 423.491 0.794 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c1cnn2CCO 610859089 MBPRHTIJEXZGRI-GUYCJALGSA-N 417.491 0.608 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 618592858 PUTNVJOEZLXMGE-PKOBYXMFSA-N 417.510 0.977 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)C1=O 726043077 JMGLUHJSTRVQID-NSHDSACASA-N 408.411 0.053 30 20 HCED C#CCNC(=O)CN1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 728572828 FJXSJMDYFLKOJL-UHFFFAOYSA-N 418.295 0.324 30 20 HCED COc1cc(CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc(OC)c1OC 732910826 SRIIKPCVJPATRX-AWEZNQCLSA-N 424.475 0.611 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 733299726 JCYTWYLQIJSRMZ-MRXNPFEDSA-N 405.480 0.294 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830410 JDERNQVBHKNQBH-AWEZNQCLSA-N 413.390 0.318 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 737224694 JYWBBPBCDSPYRW-UHFFFAOYSA-N 407.902 0.704 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2ccc(C#N)cc2)CC1 737252175 QUKOLUGGEPLEAO-UHFFFAOYSA-N 415.450 0.692 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738861835 UJJSGKQKTNJMSM-ZDUSSCGKSA-N 402.451 0.911 30 20 HCED N#Cc1cnn(CCOC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)c1N 741435137 IKMZWHCGSOMHGI-UHFFFAOYSA-N 420.447 0.905 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 742067529 LERZOTKUJALYDH-IBGZPJMESA-N 411.506 0.218 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(C)ns3)CC2)cc1 742191109 CRJJTNDVPXHTLF-UHFFFAOYSA-N 405.505 0.720 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2nnnn2C2CC2)cn1 742214107 VDLDDUDZCLMSFU-LBPRGKRZSA-N 403.472 0.492 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c([N+](=O)[O-])c1 747228183 ZNBVJOMATNMCQH-ZDUSSCGKSA-N 414.465 0.105 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCn1cc([N+](=O)[O-])cn1 748101709 JTSOSNGMRLYBOO-UHFFFAOYSA-N 407.408 0.853 30 20 HCED CC[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 756196232 RTDIKGIAPDWANM-KTNMXJNISA-N 424.523 0.963 30 20 HCED COC(=O)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)c1cccc(C#N)c1 756743557 DRDDISDWLLJLGX-IAQYHMDHSA-N 406.420 0.416 30 20 HCED C#CC[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccccc1 757261847 HQKUKVORYALNLZ-MRXNPFEDSA-N 405.414 0.452 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2CCS(=O)(=O)CC2)[C@H](C#N)C1 758613443 CVGMJWBJKIXUKW-ZIAGYGMSSA-N 400.501 0.869 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763464657 ATIIEKKZVXSRDB-UHFFFAOYSA-N 402.545 0.737 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N(CC(F)(F)F)C3CC3)n(C)c2=O)cn1 772276443 NHHBIAMCFJJIQT-UHFFFAOYSA-N 423.420 0.800 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(S(=O)(=O)NC)CC3)ccc2c1=O 774274808 SMLCMYLIACMLEY-UHFFFAOYSA-N 423.520 0.093 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)CC1 782449845 PBOIUCXEHOWCSL-UHFFFAOYSA-N 402.476 0.787 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccnn2-c2ccc(C)nn2)c1 783453022 MFKRWVXFHNEXCG-UHFFFAOYSA-N 417.429 0.988 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)c1 783453763 ZBRBADPLZVEHSC-UHFFFAOYSA-N 403.402 0.679 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2)c1 783458419 FVIJZIVLJJCQPP-UHFFFAOYSA-N 409.398 0.913 30 20 HCED CNS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784425858 OZGDUXJQXQWMHS-RGEXLXHISA-N 417.513 0.170 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1cnnn1C 803248411 WANXIKCFAQPWLF-CYBMUJFWSA-N 419.463 0.839 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCCO1 805036352 XSPQJXLKAQZBBZ-OALUTQOASA-N 418.538 0.124 30 20 HCED C[C@@H](C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1ccc2ccccc2c1=O 805881379 VOROIISPGYHRRF-BBRMVZONSA-N 401.444 0.528 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)nc1 808564077 DZGCKUGOBSAMHH-KRWDZBQOSA-N 424.436 0.538 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1)[C@H]1CCCO1 809304442 KFXBYYNQPFOBBP-ZSYWTGECSA-N 418.538 0.123 30 20 HCED C#CCOc1ccccc1CNC(=O)N(CC)CC(=O)N[C@@H]1CCS(=O)(=O)C1 812887438 TZFOWIBYLHPLQK-MRXNPFEDSA-N 407.492 0.533 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1cc[nH]n1 813860336 QBLZFULKQIQJAF-RBSFLKMASA-N 405.455 0.457 30 20 HCED C[C@@H](Cc1cnc2ccccc2n1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 815947215 TWJXGLIGPLQETJ-DZGCQCFKSA-N 400.460 0.774 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCOC 917356599 NCTARBLZJWISIG-UHFFFAOYSA-N 417.535 0.326 30 20 HCED C#CCN1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1070180552 UKSCCDJXFFVCIT-SGYMCOKNSA-N 401.507 0.289 30 20 HCED C=CCN(C(=O)Cc1c(C)[nH]c(-c2ccncc2)nc1=O)[C@@H]1CCS(=O)(=O)C1 1115890917 OWGGVXXRFIIGKE-OAHLLOKOSA-N 402.476 0.885 30 20 HCED COCC#CCNC[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)n2)O1 1130807146 QQTRTXLBUZHNME-BPKGMFCQSA-N 403.483 0.448 30 20 HCED CC(C)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@]1(O)CCCOC1 1167691537 RCPYVPIETJJRSU-LJQANCHMSA-N 409.508 0.799 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)cc1 1290400492 MXOGAFRWCROVKZ-QGZVFWFLSA-N 409.450 0.606 30 20 HCED O=C(CON=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)N[C@H]1CCS(=O)(=O)C1 1317698792 ROUWFGNBPZFZBB-AWEZNQCLSA-N 410.452 0.849 30 20 HCED CCn1cc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1C 1319836267 AEYCPBWCGAFOHU-CQSZACIVSA-N 401.448 0.941 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)C1=O 1321169389 HWCDWJNTYKHLQH-CABCVRRESA-N 409.512 0.208 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cccn2)CCOC1 1516224086 JUHAHRUQTAAYQM-VQIMIIECSA-N 401.471 0.946 30 20 HCED CNC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1517594107 MKSMDYVAXDMEPU-QGZVFWFLSA-N 406.450 0.996 30 20 HCED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)c1 1559440757 SOIAJMOGASLBEI-UHFFFAOYSA-N 411.443 0.125 30 20 HCED CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1585296162 PWVAYPVDPFAYRN-CYBMUJFWSA-N 405.455 0.972 30 20 HCED CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1617581637 IYSCOIANPMZRMG-QGZVFWFLSA-N 422.493 0.899 30 20 HCED CS(=O)(=O)NCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620177950 SGRNLDYGDHOFSX-MRXNPFEDSA-N 407.544 0.661 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(CN3CCOCC3)cc2)c(=O)n1C1CC1 1644154782 OMISNWWEHGSWKB-UHFFFAOYSA-N 423.473 0.996 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@H](O)CCO2 1645201532 UNMXDVNVESLTEU-CQSZACIVSA-N 407.492 0.648 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1654413588 RJWVBGQOIOSECI-UHFFFAOYSA-N 415.537 0.814 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(F)c1C#N 1664393064 NMYZNZUMUSRMLI-ZDUSSCGKSA-N 418.468 0.827 30 20 HCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCS2(=O)=O)CC1 1712882003 ROSFAHBUMIPGPM-UHFFFAOYSA-N 421.527 0.290 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741371838 MSKTZLDCFGYHNY-YJBOKZPZSA-N 408.528 0.128 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN(C)S(=O)(=O)CC 1744695937 DAIYBGVYQCOASY-INIZCTEOSA-N 409.560 0.689 30 20 HCED COCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769787927 PSILAXSYWGVSPQ-GOSISDBHSA-N 413.530 0.433 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779125160 PIZYKBIGPVDQNB-NRFANRHFSA-N 416.478 0.736 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779607740 FTSSVZGOPKJJML-AOMKIAJQSA-N 423.473 0.954 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780331354 RRJUFFCCNNVRFD-SCLBCKFNSA-N 408.480 0.011 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780435322 TVWASKQQYMVDSJ-HXUWFJFHSA-N 420.466 0.382 30 20 HCED 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JWWOEOFBQHRLEI-HXUWFJFHSA-N 424.498 0.517 30 20 HCED COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840159057 WLEINLJSNWIWPO-MGPUTAFESA-N 423.535 0.798 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc[nH]c4c3)C2)C1 1840161751 ZMMACSMTZMRWRH-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840162439 XDVVFXNXRRBXLZ-IFXJQAMLSA-N 408.524 0.536 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1840176278 GIEBVKREVBNAPH-VGSWGCGISA-N 415.490 0.837 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@]3(F)Cl)CCO2)C1 1840242127 JWUMDHQMNHSTIV-IDCJVQTKSA-N 404.866 0.958 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1840293502 FWIFEOWXWSLRBW-FQEVSTJZSA-N 424.567 0.120 30 20 HCED CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840309068 RLCLARMRFULBJS-HSSRVXSRSA-N 408.499 0.275 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccn1)CCO2 1840439201 WIEHOIZVRIPTLM-RXVVDRJESA-N 420.510 0.883 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@H](NC)C(=O)O)C2)c(O)n1 1842949204 IHRPWHRSFWKSKR-INIZCTEOSA-N 416.478 0.786 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843718779 APDUVDUPVNDDLF-UHFFFAOYSA-N 408.462 0.640 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)ccc1F 1845202579 OMIISOZUXLRJKR-MRXNPFEDSA-N 401.442 0.036 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)CN1C(=O)C3(CCOCC3)c3ccccc31)C2 1845959915 UQFRQZQCYIARQU-UHFFFAOYSA-N 407.470 0.918 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848137409 LLXRCTAMZRTHCM-IRXDYDNUSA-N 412.494 0.295 30 20 HCED N#CCCN(CCC#N)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 33826729 NEYMYJUKVIOHPE-UHFFFAOYSA-N 405.480 0.775 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O 427903269 JTXVWFMEZNWDBH-RRQGHBQHSA-N 405.476 0.822 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 428239359 GLAOEVBMKHZNEE-UHFFFAOYSA-N 400.464 0.365 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 432504665 NBMAWKCZYBQHQN-UHFFFAOYSA-N 424.523 0.719 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 442903431 PQYYYVBNBXTEOD-UHFFFAOYSA-N 416.438 0.607 30 20 HCED Cc1cc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)ccc1C#N 443907315 YXGWYYPZBGPKTM-OAHLLOKOSA-N 401.510 0.634 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC)CC2)cc1 444639959 OFAOMEZKFJYQBR-UHFFFAOYSA-N 409.512 0.389 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 460741115 ZTPWEPKIMIVBKN-CQSZACIVSA-N 409.450 0.902 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1C 461373829 DXCFCKRJXKBHRK-UHFFFAOYSA-N 423.441 0.356 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C 468760635 AHVBQXBAEJLJFU-KPZWWZAWSA-N 411.480 0.434 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1=O 469853069 NPRBJNHSDMBIPD-MRXNPFEDSA-N 416.503 0.697 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)CC2)c1C#N 471926997 KIXUMNIJSJTMCW-UHFFFAOYSA-N 421.465 0.839 30 20 HCED N#Cc1c(F)cccc1-n1ccc(=NC(=O)C(=O)N=c2cc([C@@H]3CCCOC3)[nH][nH]2)[nH]1 472930952 VDXJWTXAZLPAET-GFCCVEGCSA-N 423.408 0.921 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 481782147 DIJSJBXIWQLFMN-LBPRGKRZSA-N 411.447 0.722 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 482195177 ZWZWBLPNRCMPIY-XQQFMLRXSA-N 401.510 0.505 30 20 HCED CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 482862808 UASCHLZHEASIAF-PBHICJAKSA-N 422.507 0.225 30 20 HCED CN(CC(=O)N1CCC[C@H](CN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 484003097 LHOHDCJKJBNADS-GOSISDBHSA-N 420.535 0.750 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 485056240 PKPIYCJFXCYFBG-XOBRGWDASA-N 410.434 0.792 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)C1CC1 485595613 WUYUDQXNGLHTES-UHFFFAOYSA-N 406.490 0.965 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2=O)cc1 489078602 LDHGCIJIXSKDQW-SFHVURJKSA-N 423.473 0.347 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C 489187403 YCGGYVGZUOAXEL-UHFFFAOYSA-N 409.414 0.314 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 502305609 UDZQOVWSVDPJCS-RCCFBDPRSA-N 414.462 0.480 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCNC(=O)c2cc[nH]n2)CC1 504344010 TVGWATDZRLIAJW-UHFFFAOYSA-N 424.421 0.791 30 20 HCED Cc1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)nn1-c1cccc(C#N)c1 506478109 DYPATVHQCHVUCI-SFHVURJKSA-N 422.489 0.715 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2C(=O)NC[C@H]2C1 508474298 SPFUHYVAUUNKRQ-ZDUSSCGKSA-N 406.450 0.592 30 20 HCED CN(CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 509930385 YMXFOFMEQIIFBS-CGZBRXJRSA-N 406.508 0.878 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 510028235 WUWZHUBOSCFANY-OAHLLOKOSA-N 401.577 0.881 30 20 HCED C[C@@H](Cn1cncn1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512535878 DNCLWFCYSANTOF-AWEZNQCLSA-N 403.468 0.254 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2cccc(C(=O)N(C)C)c2)C1=O 513043223 YOICTWNMYCCLIX-KRWDZBQOSA-N 400.479 0.292 30 20 HCED C[C@H]1CSCCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 517546830 GBGPYCJDQIVKAY-PBHICJAKSA-N 400.504 0.987 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 517643481 FIPZQDSKAVDELB-IBGZPJMESA-N 423.560 0.797 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCS(=O)(=O)CC2)c1C 535637254 FGQUMFXFALOBDI-UHFFFAOYSA-N 401.448 0.556 30 20 HCED COCCN(C(=O)Cn1ccnc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 536299820 ODAFTKLDONCSKA-UHFFFAOYSA-N 423.433 0.327 30 20 HCED C[C@H]1[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 540052846 LEONWBAWZQEGLX-DLBZAZTESA-N 419.551 0.416 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 540788845 HYOLGXBLVCOFQI-UHFFFAOYSA-N 422.507 0.527 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1=O 544725188 AVULCRQFAYKRPC-CYBMUJFWSA-N 401.510 0.344 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 546205006 YWLZHQDDQOCTNQ-HNNXBMFYSA-N 415.450 0.584 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 553560466 OXKFZUYHHDMZSH-UHFFFAOYSA-N 412.415 0.348 30 20 HCED CCOc1ccc(NC(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N(CC)CC 554104539 GZHZDBPAKRXBLC-UHFFFAOYSA-N 411.484 0.877 30 20 HCED Cc1c([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C 556292860 VLYYQRKMVJIKDL-FZKQIMNGSA-N 408.462 0.695 30 20 HCED CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1ccnn1C 558097488 XQPCWORPTNFUBY-OXQOHEQNSA-N 422.493 0.880 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 558107885 CBSBJZRFFQOZNH-UHFFFAOYSA-N 403.479 0.965 30 20 HCED C[C@H]1CN(C[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 572768715 QLRCCJLLYZPWCC-JZXOWHBKSA-N 420.535 0.937 30 20 HCED COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 579965349 YVRLSBADIPJFLX-CVEARBPZSA-N 417.466 1.091 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 582518433 RXNWAJTYLYBXGE-CRAIPNDOSA-N 416.503 0.838 30 20 HCED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2)n[nH]1 589181098 VTPIMJWYRRLEJK-UHFFFAOYSA-N 422.493 0.419 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590897528 ZGJQHPKCHDUPSV-UHFFFAOYSA-N 411.483 0.912 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 608050111 IDSCXDAPYXEEMW-CXAGYDPISA-N 417.491 0.808 30 20 HCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 608911208 RVWMUCQDCNWJCP-UHFFFAOYSA-N 412.515 0.287 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1CC(N)=O 608912519 UBARUWBCSKRQRB-UHFFFAOYSA-N 410.499 0.126 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)NC3CCN(CC#N)CC3)cn2)CC1 609564987 IXYIYYMSCBVYDQ-UHFFFAOYSA-N 421.527 0.273 30 20 HCED N#Cc1ccc([C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(N)=O)cc1 609676643 ZGYNPYFCWSOIGR-INIZCTEOSA-N 403.420 0.561 30 20 HCED N#Cc1ccc([C@@H](N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C(N)=O)cc1 609676778 UQFXHDXAJHXSBE-GHTZIAJQSA-N 421.505 0.970 30 20 HCED COCCN(CCC#N)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 610491809 LGFQZZWMSOZXDF-UHFFFAOYSA-N 411.480 0.905 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccncc4)c3)CC2)nc1 610869643 TYDRVXFANBJDJR-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 670220095 AFQLNBLGRQDZDL-UHFFFAOYSA-N 403.531 0.737 30 20 HCED N#CC1(NC(=O)COC(=O)CCOc2ccc(S(N)(=O)=O)cc2)CCCCC1 726067733 ZKEAEEJZMSOXFH-UHFFFAOYSA-N 409.464 0.989 30 20 HCED COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1OC 729435366 WGEBIZKIFJLRKA-ZDUSSCGKSA-N 407.452 0.405 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n[nH]1 737299109 LPRMXGFPJXNCTR-XQNSMLJCSA-N 418.479 0.786 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc3c2OC(C)(C)C3)c1=O 738011758 WDKWIYJMNURDGM-UHFFFAOYSA-N 408.483 0.738 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 746236146 SOXNXPABMBYERO-UHFFFAOYSA-N 408.418 0.373 30 20 HCED C#CCN1CCN(C(=O)CN(CC)CC(=O)Nc2ccc3c(c2)OCCO3)CC1 746492896 CCNMONAZQIIVMQ-UHFFFAOYSA-N 400.479 0.496 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)CC1 747738673 KIGBSZCIZIEGLP-UHFFFAOYSA-N 402.495 0.865 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2CCOCC2)c1 750365986 MJLSLQHDQYYFIS-XLNRJJMWSA-N 422.507 0.981 30 20 HCED Cn1nccc1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 762591660 SNKCAUQCRYGDTH-UHFFFAOYSA-N 402.480 0.550 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 766794102 UYEIUQCDJUSZCY-UHFFFAOYSA-N 413.883 0.354 30 20 HCED O=C(NCCS(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O)OCc1ccccc1 767080190 DCSGJMJMSZRPMT-MSUUIHNZSA-N 422.463 0.359 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCN(C2CCOCC2)C1=O 767625895 FBHZWYRPLQZXSA-GUYCJALGSA-N 421.475 0.548 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cnc21 773974416 CJLGDJKBKOCDHA-CYBMUJFWSA-N 421.369 0.766 30 20 HCED CC(C)c1nc([C@@H]2COCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 779693036 JIBQNKCSUYJSJT-ZDUSSCGKSA-N 419.463 0.832 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 780050845 PFECASJIFDXLCP-PBHICJAKSA-N 400.435 0.766 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCN2CCNC(=O)C2)C1=O 781104309 QXDXHGVRAOTSCK-CQSZACIVSA-N 423.926 0.839 30 20 HCED N#CC1(NC(=O)COC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CCC1 784209146 LUOQSICCTTZOOB-GOEBONIOSA-N 403.410 0.436 30 20 HCED COc1ccc2c(c1)C(C)(C)CC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 788720347 LPVXQSQNUUPHOF-UHFFFAOYSA-N 406.464 0.457 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)c1 789607524 IKWISLSQCWMTMX-FBKSFYRLSA-N 422.507 0.715 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(OC)n2)c1=O 790427369 ARGUEZKHHDFYME-UHFFFAOYSA-N 408.483 0.508 30 20 HCED C#CCNc1nc(N[C@H](C)CN2CCOCC2)nc(N[C@H](C)CN2CCOCC2)n1 804354200 IRAPSUULLYFEKD-IAGOWNOFSA-N 418.546 0.182 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 806781515 YMFCKJBDOMHQDO-VUAZUDAXSA-N 404.471 0.492 30 20 HCED C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 816671905 KUIPTBUPXFNEJA-HNNXBMFYSA-N 409.464 0.804 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916941768 CFKXQIDQXZIIJU-AWEZNQCLSA-N 422.401 0.654 30 20 HCED N#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)[C@@H]1COC[C@@H]12 1205511723 DFXJTNZZMZMOII-SFFUCWETSA-N 402.495 0.133 30 20 HCED CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296122093 SQEOBLDLXQRIIA-OXJNMPFZSA-N 420.537 0.884 30 20 HCED N#Cc1cn(CCC(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(=O)nc1O 1298727516 RVQLLLVTNUCEBM-JTQLQIEISA-N 401.345 0.128 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCCO1 1319823469 AULCHYCRFDFFJH-INIZCTEOSA-N 412.515 0.623 30 20 HCED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NCc1ccc(C(=O)NO)cc1 1326392644 DDCMPFSRRGFAKE-UHFFFAOYSA-N 415.450 0.695 30 20 HCED 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0.971 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1)C(F)(F)F 1782679283 JMAHOVNKRSVDHA-INIZCTEOSA-N 416.356 0.509 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783109350 YUVACVBGCOEQRE-LHSJRXKWSA-N 413.478 0.987 30 20 HCED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1783144574 RULPYTWMSOUBQC-IBGZPJMESA-N 404.854 0.791 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)CCO2 1784198252 COCAMJJMRZISQS-NQIIRXRSSA-N 422.478 0.505 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCn4ccnn4)C3)C2)cc1 1784528404 MCRXYRFVJYTUSG-OAQYLSRUSA-N 408.462 0.612 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1785596574 MDTAJVQJPWNGRT-SORVUCRQSA-N 423.510 0.667 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3)[C@H]2C1 1788838618 YQCYBMCZQDBWKF-ORIYOMJCSA-N 416.453 0.672 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1 1792556701 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N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNc4ccc(F)cc4)C3)C2)CC1 1835342535 GADQMHBXVCGSSG-OAQYLSRUSA-N 416.453 0.998 30 20 HCED Cn1ncc2c(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cccc21 1835356563 DCGHXVBEXGATMD-OAQYLSRUSA-N 411.462 0.947 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835829747 VVQNXADSRZAMSV-HNNXBMFYSA-N 401.511 0.552 30 20 HCED CCc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)no1 1835982034 YGDYMYWQLLURSU-UHFFFAOYSA-N 402.451 0.510 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nnc(C)s1)CCO2 1836084764 RMIIBOMCIZJWMZ-IBGZPJMESA-N 406.508 0.649 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836422055 ROFUOOORXSRBJR-GOSISDBHSA-N 408.572 0.804 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCC1 1837446478 CBLKSZYGKKCPMB-DUYDGHCJSA-N 417.510 0.608 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(C)[nH]n1)CCO2 1837591947 VHYKYZGFQYNHQJ-OAQYLSRUSA-N 402.495 0.911 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccc3F)CCO2)C1 1838244623 JRSLUPIXGSYNIF-FOIQADDNSA-N 407.442 0.882 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838733170 QKPOYELQKBGBDV-NRFANRHFSA-N 416.478 0.939 30 20 HCED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)n1 1838950316 IUEHKNVTTSZGNG-JOCHJYFZSA-N 423.473 0.833 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1839223611 ATQYNGSGCQCOCT-DNVCBOLYSA-N 407.471 0.291 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2 1839637792 UDLNXURRLKWJBJ-WIYYLYMNSA-N 411.543 0.766 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839839767 MDPPOSULBMBACL-XOBRGWDASA-N 418.450 0.457 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839841640 VAADYBBERMLBAI-UTKZUKDTSA-N 420.510 0.812 30 20 HCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(C)C 1840161670 WZEFSYWJHRUAAF-XUWXXGDYSA-N 402.513 0.349 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840163919 SBDOWEJJYBLBEV-LIRRHRJNSA-N 404.492 0.723 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840489097 JVOMRJUTXZSPID-HRAATJIYSA-N 400.479 0.622 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(C)c(OC)c1)CCO2 1840756262 LNEATVUJWHXNAJ-NRFANRHFSA-N 402.447 0.715 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)CC1 1843973378 PRFQHVUMEBFAFZ-UHFFFAOYSA-N 408.502 0.406 30 20 HCED CNc1nsnc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844298768 JWECYLDWXZOBKY-VDLQQMNMSA-N 408.484 0.926 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845108907 WUHZTDFJMNAGNW-MJBXVCDLSA-N 413.540 0.736 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1846366440 MVXHKVCMXMYWEM-YCPHGPKFSA-N 405.520 0.688 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1846372049 CFAXWVKBMMUBRK-RYUDHWBXSA-N 414.528 0.277 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2ccncc2=O)cc1 1847213026 LFYYUPUCXXFJGS-OALUTQOASA-N 405.458 0.950 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCCc2ccc(F)cc2)cc1 22613046 KXBVVHOPTBYRTC-UHFFFAOYSA-N 419.434 0.878 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)CCO1 409507865 BNGIRODAGBMUTB-QWHCGFSZSA-N 416.385 0.972 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C(=O)NC)C(C)C)cc1 427742201 PEROGRQZWFSANU-HNNXBMFYSA-N 410.496 0.318 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)NC[C@H]1CCCO1 429898726 PDUKYSULIUEHBT-QWHCGFSZSA-N 406.468 0.379 30 20 HCED CCS(=O)(=O)NCCCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 429950820 ZJJCAPVCINBQQD-GFCCVEGCSA-N 402.498 0.823 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 430403537 OQBKKOXIASXQLA-PXNSSMCTSA-N 414.506 0.867 30 20 HCED N#Cc1ccc(CSc2nnc(NC(=O)NCCC(=O)NC(N)=O)s2)cc1 437400195 INYXVTFIYFNKKK-UHFFFAOYSA-N 405.465 1.409 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 438063698 CNDLBEKNAHTCDW-RDJZCZTQSA-N 411.528 0.726 30 20 HCED CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 443479093 WIGMRIOWVPPJQU-UHFFFAOYSA-N 402.270 0.800 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)cc1 443846273 VDPTVNMQOPIRNX-KGLIPLIRSA-N 413.496 0.022 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 448477795 JHIRKXBJNXQJKY-HNNXBMFYSA-N 409.450 0.474 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)N1CCCC[C@H]1C 460726595 MZAZTBAQSWOTRX-KGLIPLIRSA-N 409.450 0.983 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)[nH]c1=NC(=O)N1CCN(c2nc(N)ns2)CC1 462101966 BDVHDVYBSIULSZ-UHFFFAOYSA-N 410.467 0.657 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 462780089 YNKDQZGGDHQGAI-CQSZACIVSA-N 416.434 0.897 30 20 HCED N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCCCC1 476528483 ACQGMLGCVJGKLX-MRXNPFEDSA-N 419.569 0.917 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 480519545 BWPRIDHXHXQWTJ-RHSMWYFYSA-N 418.519 0.990 30 20 HCED CCN1CCN(CCCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482181162 SLRPYGUDRVWJDK-KRWDZBQOSA-N 421.567 0.759 30 20 HCED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2nnn(C)n2)cc1[N+](=O)[O-] 490594413 PNCQAOJXTDYMEW-UHFFFAOYSA-N 411.382 0.834 30 20 HCED CCOC(=O)c1cnn(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1C#N 499512438 PPVLODXLQTXHNO-UHFFFAOYSA-N 405.436 0.834 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504103563 LUTANMIIDIDKQD-KKSFZXQISA-N 409.446 0.890 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505685064 VPBJMVPLMIXFGA-UHFFFAOYSA-N 405.549 0.342 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n([C@@H]2CCN(Cc3ccccc3)C2)n1 508943851 WIVIHMRSUMEWQO-QGZVFWFLSA-N 423.477 0.333 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c1 509390083 UNYYCQWZMYYTDP-ZBFHGGJFSA-N 424.475 0.718 30 20 HCED C=CCOc1ccc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1OC 509401409 SHBBNPDECHLISG-UHFFFAOYSA-N 424.567 0.870 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3nc4c(cc3C#N)CCC4)CC2)C[C@@H](C)O1 515546229 SJJAVFBMEIBPHB-HUUCEWRRSA-N 405.524 0.918 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(OCC(N)=O)cc1 517122056 MUVLRIFGANFBNQ-UHFFFAOYSA-N 423.473 0.951 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)c1 517858967 LFIRPCZVYFDLJC-UHFFFAOYSA-N 403.464 0.862 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 533069187 PPQBSVMDTQQZGJ-CABCVRRESA-N 409.487 0.999 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 534406566 WTBYJOOKHFLGHM-UHFFFAOYSA-N 405.426 0.570 30 20 HCED C=CCN(C(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)[C@@H]1CCS(=O)(=O)C1 535323340 SAXPEIIYDYWTPL-RBSFLKMASA-N 411.524 0.935 30 20 HCED Cn1cnn(-c2ccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cc2)c1=O 538891819 PQSCHKNLLFSTIP-UHFFFAOYSA-N 411.443 0.996 30 20 HCED N#Cc1cc(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1Cl 542554355 AWWDMEGTILRFTB-UHFFFAOYSA-N 412.899 0.983 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)C1=O 544726942 ZYYRLALXOVAYNC-DOTOQJQBSA-N 408.476 0.961 30 20 HCED CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697645 QNRUYOLDDIBPSE-UHFFFAOYSA-N 409.424 0.861 30 20 HCED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549656497 JNEBJTREFYRLPX-ZFWWWQNUSA-N 403.443 0.772 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cn1C 549756654 XTXBBLRHEBUMFJ-UHFFFAOYSA-N 418.523 0.469 30 20 HCED Cc1noc(C)c1CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 553950950 OZLCNVHFSRAODI-GOSISDBHSA-N 409.446 0.739 30 20 HCED C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 555241059 YBUKWKRJZNXPMO-OAHLLOKOSA-N 405.480 0.615 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)n(-c2ccc(C#N)cc2)n1 556541844 WNTKPJPIIJLLDA-HOTGVXAUSA-N 411.462 0.934 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 557016080 LWHQULPEQDRPNR-HNNXBMFYSA-N 403.570 0.875 30 20 HCED CCOc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 561422062 GQVSERKLNIUYDC-UHFFFAOYSA-N 402.430 1.109 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)n1 561937427 MWUNNBOYPHVKEX-KRWDZBQOSA-N 410.482 0.346 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@@H]21 565468654 APVQSJHCVRMYAF-SELYKFLKSA-N 407.474 0.737 30 20 HCED N#Cc1ccncc1N1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 574501608 ZMPIMIHTXPAIEY-UHFFFAOYSA-N 403.508 0.806 30 20 HCED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 576669000 XKFVVYXZKNQNTF-UHFFFAOYSA-N 409.494 0.777 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)CCc2c(C)nn(CCC#N)c2C)C1)C(N)=O 588064669 KJAROIQMSSGVHD-UHFFFAOYSA-N 416.526 0.965 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CC(N)=O 589157492 KABIYSLFDSFRFL-GFCCVEGCSA-N 413.499 0.830 30 20 HCED CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 610531406 ANYIHZZPKFPLAM-UHFFFAOYSA-N 407.496 0.881 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 614837943 KNBUJMGIIJVZSG-UHFFFAOYSA-N 416.463 0.811 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(S(=O)(=O)C(F)F)cc2)C1=O 726042319 ACVRBWOTYMHQLT-UHFFFAOYSA-N 416.358 0.703 30 20 HCED C=CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 726655888 WYPMFJXIFNNUDR-UHFFFAOYSA-N 411.436 0.937 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1 729281946 STWAMPFKOBLKCN-UHFFFAOYSA-N 420.513 0.782 30 20 HCED CN(C)C(=O)COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732417141 QNNOVJFDRTXDJU-ZCXUNETKSA-N 401.423 0.802 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1=O 733119541 YKHMTYQNLOTJCN-CHWSQXEVSA-N 408.455 0.820 30 20 HCED C#CCSCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 739986978 AFLOLVTUXQZXFH-UHFFFAOYSA-N 404.535 0.352 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(CC#N)cc2)cn1C 750618551 FYCAECUVUAUKCU-UHFFFAOYSA-N 405.436 0.255 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1CCC#N 755549865 ICKLOIHXLQSRMB-UONOGXRCSA-N 415.454 0.919 30 20 HCED C#CCOCCC(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 756302589 NLIQXBRBCNAGQD-OAHLLOKOSA-N 424.475 0.618 30 20 HCED CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ncnc2[nH]cnc12 757590534 POFHECZGOMCWNO-VXGBXAGGSA-N 400.443 0.664 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 757593130 XSFNQAPUSFYHNB-GJZGRUSLSA-N 414.528 0.923 30 20 HCED CN(C(=O)COC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1(C#N)CCCCC1 766985824 YUVVYGCIFCYHCM-UHFFFAOYSA-N 410.471 0.855 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O 767678643 GBOBKFHJAKMLHJ-CXAGYDPISA-N 421.475 0.548 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 772114028 SVMDRQNQOWVLBJ-UHFFFAOYSA-N 413.883 0.814 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 772936455 GFUNNRNPYUXRSN-UHFFFAOYSA-N 421.910 0.729 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC(=O)N(C2CC2)C1 780808319 FNMMPGSPRIMYMU-ZDUSSCGKSA-N 404.492 0.632 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CCN2CCNC(=O)C2)C1=O 781104068 KLQZXKLJFKJXKN-OAHLLOKOSA-N 419.507 0.195 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(C(=O)C2CC2)CC1 781119600 LPPMVXFEFGILCY-UHFFFAOYSA-N 418.519 0.976 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OC[C@H]3CCOC3)CC2)c1=O 784003611 ZQOFTNSQTQXKEO-INIZCTEOSA-N 406.483 0.019 30 20 HCED CC(C)(C#N)c1ccc(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 796038572 FSAZFZXXNOBHEZ-CQSZACIVSA-N 407.448 0.657 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1=O 798464062 GRGUVQIIVHSGPW-AWEZNQCLSA-N 424.435 0.959 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1=O 799153856 AZFSWPWEFFTNID-XMTFNYHQSA-N 404.511 0.763 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 800046202 LIJSWWFCCXCHPW-UHFFFAOYSA-N 414.409 0.633 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810360415 OFZQPGFGODIIDA-CQSZACIVSA-N 408.480 0.962 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 914571949 VYFCROTXAGDPIU-OKILXGFUSA-N 409.468 0.942 30 20 HCED N#CCN(C(=O)COC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652732 MNLNQJJPHOZAHS-GDBMZVCRSA-N 419.459 0.122 30 20 HCED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1110679915 GBZDREANSQFONL-QQXKLLMISA-N 400.523 0.639 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)CC2=O)cc1 1251519376 NFOFICKUPKUBRI-APWZRJJASA-N 409.490 0.852 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)n1 1290629081 QIVISJGZAQQIAH-KRWDZBQOSA-N 410.404 0.963 30 20 HCED CC(C)(CNS(=O)(=O)c1cc(Br)ccc1C#N)NS(C)(=O)=O 1309160237 NYBIBBFOFDHUTE-UHFFFAOYSA-N 410.315 0.927 30 20 HCED COc1cc(-c2noc(CN(CC#N)S(=O)(=O)N(C)C)n2)cc(OC)c1OC 1343483646 OHWFQYJWLIOFAB-UHFFFAOYSA-N 411.440 0.894 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 1475102497 IYXWNDBXCVYPTD-JTQLQIEISA-N 422.326 0.881 30 20 HCED CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1503463948 JUNIGQHKKMTRBG-UHFFFAOYSA-N 416.507 0.953 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N(C)C1CC1 1510192717 QQFUGPOXNMJADA-IGCXYCKISA-N 413.523 0.813 30 20 HCED Cn1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@H](C#N)C2)n1 1554366045 MMLLFQZNPUJIOM-SNVBAGLBSA-N 419.247 0.336 30 20 HCED N#Cc1cn(CC(=O)NCc2ccc(-n3cnc4ccccc43)nc2)c(=O)nc1O 1583902067 RTEUEONILSJXPU-UHFFFAOYSA-N 401.386 0.871 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1628334942 LIHXMSLPPNGXFQ-UHFFFAOYSA-N 415.542 0.858 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(N4CC[C@@H](O)C4)C3)CC2)cc1 1644462011 PKNPCDAOLFZGFV-GOSISDBHSA-N 418.519 0.236 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)CN2CCOCC2)cc1Br 1656472821 JJPHRDAIMQHUBE-LLVKDONJSA-N 422.276 0.431 30 20 HCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1730769525 DBCMFSLIYSXADV-AWEZNQCLSA-N 412.516 0.387 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)o1 1742204946 KHUVWAFTJIFKNS-CQSZACIVSA-N 406.468 0.611 30 20 HCED C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1751123418 LCOBPJGJUAIDTA-YJBOKZPZSA-N 409.494 0.849 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC1 1751279084 QUGIPMIMFITJTP-KBXCAEBGSA-N 409.512 0.462 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCOCC2)CCO1 1770751660 JIWNNMNDDWTZLD-QGZVFWFLSA-N 411.466 0.242 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1778972200 SCMWDDUCLZZPIG-IIBYNOLFSA-N 416.478 0.423 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)on1 1779015528 YKYGTWRETGJJON-TTYLXTBDSA-N 403.483 0.827 30 20 HCED CCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015546 YTIQBZWMLICTHR-WYCILAGTSA-N 407.515 0.203 30 20 HCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1F 1780332063 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O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1 1813351020 LYKKZYYSOKLWMZ-SUMWQHHRSA-N 414.447 0.086 30 20 HCED CN[C@H](CC(=O)N1CC[C@H](CNC(=O)C2(C#N)CCC2)[C@@H]1c1cccnc1)C(=O)O 1814049325 BMCHKZKDPSGQIE-NUJGCVRESA-N 413.478 0.844 30 20 HCED C#CCCC(=O)NC[C@H]1CCN(C(=O)Cn2cc(C)c(O)nc2=O)[C@H]1c1cccnc1 1814110239 DUTRITUSLHHSGQ-XLIONFOSSA-N 423.473 0.772 30 20 HCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814222442 OXWLTMRHYKLDCH-LPHOPBHVSA-N 403.483 0.739 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822527133 MTRJEQQHOKJYJB-HIFRSBDPSA-N 413.434 0.365 30 20 HCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1823079837 PDPJVDKIBHOOQR-SRVKXCTJSA-N 424.527 0.449 30 20 HCED COc1nccnc1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664353 UWSWNBZFXSUTDL-SECBINFHSA-N 401.404 0.256 30 20 HCED C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828810547 LTBAYYVIZFUDAG-IIBYNOLFSA-N 414.462 0.733 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)cc1 1829632121 PYASXKMEZMVXFI-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCc5nc[nH]c5C4)C3)C2)C1 1829673937 VOASWAFWQOOTIJ-OPAMFIHVSA-N 414.506 0.937 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831225065 QEIODNNPKDIMEM-KKSFZXQISA-N 400.479 0.622 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1831426658 MRNCNVUYFVXPOF-KUHUBIRLSA-N 424.885 0.791 30 20 HCED Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cn1 1831486220 UWDVIQHTLNOEEU-VQIMIIECSA-N 408.524 0.809 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(O)O)CC1 1832792778 XFXKJCVPNUUWJT-KRWDZBQOSA-N 401.463 0.867 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832809821 SUJFAXGVUOPEJE-QHCPKHFHSA-N 422.485 0.850 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1nnc(C)s1)CCO2 1833024859 ZEPIKQANQAAIMM-LJQANCHMSA-N 406.508 0.649 30 20 HCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1F 1833702493 XCZXSEPHJKTYGK-IBGZPJMESA-N 407.446 0.487 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1834397485 QEHSUWKOQNOONG-OAQYLSRUSA-N 409.446 0.676 30 20 HCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835072418 LVHRLSRGNQOQSP-UHFFFAOYSA-N 400.426 0.972 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1835359253 ABTRSBJXAMFVNE-YWNAFCPWSA-N 408.455 0.276 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835512538 PWPWIGSJVHRHLO-KXBFYZLASA-N 410.540 0.838 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[nH]c4nccc3-4)CCO2)C1 1836441050 RIVMSXPVTGTBRU-DJJJIMSYSA-N 404.492 0.903 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)cc1 1836481053 OMXRYTHITLEORS-SIKLNZKXSA-N 410.474 0.351 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5ncccn5n4)CCO3)C2)C1 1836866277 DHVRCYUQCCEPBM-NRFANRHFSA-N 411.462 0.766 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1836870134 ATVBBTMVQTUVQF-JKSUJKDBSA-N 420.514 0.824 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1837395082 OXNDLKIKUSYJAD-UTKZUKDTSA-N 418.494 0.428 30 20 HCED CC(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559855 BNFHZUXLTBMLHU-WHEDMDOKSA-N 407.467 0.580 30 20 HCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)c1 1837844566 FWLMDNRUEFWKCZ-UHFFFAOYSA-N 412.494 0.654 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733000 IZKCIHQIYWIBQL-FOIQADDNSA-N 402.451 0.547 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839171850 GUXRWQVJIFPUQG-FQEVSTJZSA-N 407.467 0.502 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839886925 QBLUFALNMFCUFI-IBGZPJMESA-N 415.481 0.996 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1)C(F)(F)F 1839894859 VKLXTUYPMCGMLZ-MRXNPFEDSA-N 420.384 0.515 30 20 HCED COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839953446 LPUNZFYHMFEXBO-QFIPXVFZSA-N 413.474 0.998 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839956159 HRBADQFQMFXJIN-REWPJTCUSA-N 412.486 0.460 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2)C(F)(F)F 1840064601 WPLLMAYEQOXESI-KRWDZBQOSA-N 415.368 0.976 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)CCC1 1840411337 MVQNDXSUKQZRQR-HXUWFJFHSA-N 415.450 0.006 30 20 HCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)cc1 1841006891 FWUQSISHBISOET-UHFFFAOYSA-N 406.442 0.619 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841970252 HYMBOOQGZJJAGD-HNNXBMFYSA-N 401.467 0.816 30 20 HCED Cc1cc2nnc(C(=O)N3CCCC34CN(C(=O)C(C)(C)NCCC#N)C4)c(C)n2n1 1843697329 QUPBGRJCVKJOHK-UHFFFAOYSA-N 424.509 0.840 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259788 GRXPVZOUBPSZSF-GKXUUXLPSA-N 423.514 0.505 30 20 HCED O=C(O)c1cnncc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301296 DRMMYBUMRHMTMH-YJCKXXIQSA-N 417.422 0.521 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1846371323 NDXHOROGLNUWTF-MCIONIFRSA-N 413.540 0.878 30 20 HCED N#Cc1ccccc1CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 15035468 SAHQNMZWVMXWRF-UHFFFAOYSA-N 420.516 0.712 30 20 HCED C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 16711078 GOZZMGJPGKOSCH-SWLSCSKDSA-N 407.448 0.730 30 20 HCED C=CCNC(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 19419962 ZNTOCNLAGOAWKD-HXUWFJFHSA-N 401.419 0.457 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCNS(=O)(=O)c2cccs2)CC1 305200565 MQRBGYPIRYXXLK-UHFFFAOYSA-N 403.530 0.552 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 426951818 RQLYKLGIJONJDZ-AWEZNQCLSA-N 422.463 0.169 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccc(C#N)o3)c2=O)cn1 440379202 LYCNPRNKDKAKEB-UHFFFAOYSA-N 422.470 0.608 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)n1 444510402 DDVUUWIGPOKNEI-UHFFFAOYSA-N 412.425 0.788 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)o[nH]1 462273666 FMDHRPUBBMGTLP-LBPRGKRZSA-N 422.442 0.837 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1 465066179 QIOSOWJMRRURAN-HOCLYGCPSA-N 415.537 0.599 30 20 HCED C[C@H](C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1)n1cnc(C#N)n1 467218950 RAGXLXQMKSTFAH-LLVKDONJSA-N 408.426 0.762 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2cccnn2)CC1 469956380 NHKTVCWAEMECAA-CQSZACIVSA-N 414.491 0.800 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CC1 470177127 PTXJEVDIYQXKAX-OCCSQVGLSA-N 414.422 0.671 30 20 HCED C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](CO)O1 470378175 XBEBJWMMLJYORC-WMLDXEAASA-N 407.492 0.567 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 473859920 PSHGCOVOQNXRPN-SJORKVTESA-N 404.492 0.589 30 20 HCED C[C@@H](NC(=O)CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 475760652 OQAUEZPSWOBSCP-ZBFHGGJFSA-N 422.507 0.321 30 20 HCED N#Cc1cccc(OCCCCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 476158459 RQTLWNJYJMNPSW-MOPGFXCFSA-N 421.519 0.409 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnn2C(C)C)c1=O 478737751 MJRUQAGWZSIADV-UHFFFAOYSA-N 403.508 0.363 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 480503997 UCHSBKSFVYJLFB-LBPRGKRZSA-N 416.463 0.339 30 20 HCED CN(C)C1CCN(CCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 482012080 VTNWWVUWLFZDKG-UHFFFAOYSA-N 407.540 0.321 30 20 HCED CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 484439413 YSQFCXZLEIJSFW-HNNXBMFYSA-N 422.507 0.576 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 491285944 VBRVKRRFHXDSGW-IRXDYDNUSA-N 423.477 0.900 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 501913640 DRMXGDPEAZMTKW-CYBMUJFWSA-N 419.488 0.770 30 20 HCED CN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)no1 507149665 MEPFQBXGXVVILG-UHFFFAOYSA-N 420.495 0.988 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 509416055 MBGHIVWXJDFKEU-AWEZNQCLSA-N 411.509 0.343 30 20 HCED CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 510645208 GUKYZDAHHFEZIW-UHFFFAOYSA-N 415.494 0.964 30 20 HCED C[C@@H]1CN(C[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 513457526 XVXFPPCSTVDEKP-LMMKCTJWSA-N 422.551 0.335 30 20 HCED CCn1nc(C)c(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 514746143 CWMWAZWWQINNGM-UHFFFAOYSA-N 412.498 0.398 30 20 HCED N#Cc1cc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 520895998 CIXNTGVOMFQOKR-OAHLLOKOSA-N 424.910 0.273 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccn3)c2=O)cn1 522390410 JZLZOLNUUZVKLX-UHFFFAOYSA-N 420.498 0.636 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cc(OC)ccc1OC 523255308 NHSOVCPQYRMYAD-UHFFFAOYSA-N 422.466 0.560 30 20 HCED COc1ccc([C@H](CNS(=O)(=O)N(C)CCC#N)N2CCOCC2)cc1OC 530385671 JFQGPWWMJQHSNM-INIZCTEOSA-N 412.512 0.757 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2)CC1 535645434 BRKCQTFLOFJKPZ-UHFFFAOYSA-N 410.478 0.566 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)n1 538077674 AENXHRSUUQGZPU-GFCCVEGCSA-N 410.500 0.236 30 20 HCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)nc2)cc1 538416584 CIDMETQWHFHYKV-AWEZNQCLSA-N 417.472 0.754 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)c1 546200408 JJZKPSPBCGCSHP-AWEZNQCLSA-N 419.463 0.616 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)n(C)c2n(C)c1=O 558641477 DYGIGSDORZKQGP-UHFFFAOYSA-N 406.446 0.668 30 20 HCED CCCN(Cc1ccc(C#N)cc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561260750 KYLBISARIIXIAL-QTQZEZTPSA-N 424.461 0.726 30 20 HCED CCN(CCOCCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 564068705 VIIZPUKGVWHGCU-QGZVFWFLSA-N 402.451 0.027 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC4(CCOCC4)C3)C2=O)cc1 581906455 ZEPIVWPWOHBLQL-SFHVURJKSA-N 410.474 0.804 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)n1 582946873 PDERZSJVKFPAGY-UHFFFAOYSA-N 421.396 0.355 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2CCC[C@@H](CC)C2)CC1 584673033 XJBYDDJGHWTMKZ-GOSISDBHSA-N 421.586 0.450 30 20 HCED Cc1csc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 585726115 VAIINMQTTYMQFU-UHFFFAOYSA-N 401.496 0.373 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)CC2 587363585 YNGODRAEXAEGJO-CQSZACIVSA-N 424.465 0.103 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C1CCN(C)CC1 604434307 OICFMBCBKNHQGX-UHFFFAOYSA-N 402.545 0.796 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C2CC2)N(C)C)cc1 605242082 HNQXZCCVODEDMT-QGZVFWFLSA-N 408.524 0.888 30 20 HCED CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 609485639 UITNODPEBFOWFE-SFHVURJKSA-N 406.575 0.211 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)cc1C#N 610937086 YQNVSKKKZCDVMP-HNNXBMFYSA-N 408.480 0.824 30 20 HCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc(C(=O)OC)c(C)o3)c2=O)cn1 726182517 WMWRSPCGOIVSMP-UHFFFAOYSA-N 409.427 0.830 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCC(=O)c1cccs1 731700771 GRYOGPJHGPQRPX-UHFFFAOYSA-N 421.456 0.440 30 20 HCED CC[C@@H](C)[C@H](NC(=O)COc1cccc(C#N)c1)C(=O)NCCN1CCOCC1 732156300 KHGVMISHQHAYEA-UZLBHIALSA-N 402.495 0.916 30 20 HCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(CC)c2)c1=O 732562641 GUGDAFPKAABFLE-UHFFFAOYSA-N 415.519 0.288 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 733148685 ICZBBAIQTSUIJJ-UHFFFAOYSA-N 403.395 0.709 30 20 HCED CC(=NNc1nccn(C)c1=O)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 748080512 SBCNBADGGCSOPS-UHFFFAOYSA-N 407.452 0.760 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(CC#N)c1ccccc1 756760694 UXGUFDMARVOJOB-CYBMUJFWSA-N 405.436 0.187 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(F)cc(C(F)(F)F)c2)c1=O 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HCED C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CCNS(C)(=O)=O)s2)n1 788813433 GPQMUZPWLJZSBY-UHFFFAOYSA-N 424.548 0.958 30 20 HCED CC(C)C(CS(=O)(=O)N(C)C)=NNc1ccc(S(=O)(=O)NC2CC2)cn1 794890877 HBVACOBRYYNDHY-UHFFFAOYSA-N 403.530 0.838 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1 797545161 XFRQJCXUCGZWMT-PXLXIMEGSA-N 403.464 0.858 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCc4nn(C)cc43)CC2)o1 798761714 UCKJKWKXIGSGNQ-AWEZNQCLSA-N 412.450 0.900 30 20 HCED CC(C)(C)[S@](=O)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 804401405 LCSFWEWSCXSIDM-MUUNZHRXSA-N 405.524 0.702 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1COC(=O)N(C)C)c1cc[nH]n1 804655786 DSERFZWBPBGIHY-CYBMUJFWSA-N 409.443 0.773 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 804824710 AVFVKIBZHSXBKV-UHFFFAOYSA-N 415.493 0.152 30 20 HCED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC[C@@H]1NC(=O)OC(C)(C)C 805062160 ZQGZDBBILZVPFL-ZBFHGGJFSA-N 407.515 0.852 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCc2sc(C)nc2C)n1 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CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2ncnn2c1 1797558323 GBZLYLFZQNASCF-YALNPMBYSA-N 403.508 0.887 30 20 HCED Cn1cc(F)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797742152 HDONSOZVWGMOPV-QZBFTGPVSA-N 405.474 0.839 30 20 HCED CC(C)N(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797818012 GOIZXZNRKLLYBL-NQOMNMQRSA-N 410.515 0.445 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797886581 CKSKIAOCGCPMLR-YALNPMBYSA-N 416.478 0.183 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)no1 1798204536 NMYVIIMVZYEWDW-HBCWATKFSA-N 412.402 0.534 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccs1)C2 1800991776 RNBYAPDIBINSJV-CCWDJLKJSA-N 403.504 0.871 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1803445232 AXFGLMPWXWQQGF-FCEWJHQRSA-N 409.446 0.099 30 20 HCED COc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nn1C 1811631693 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VTOKPWBKPXAXKJ-NRFANRHFSA-N 414.462 0.129 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1831388092 PSTHBHRUZGZKGL-DENIHFKCSA-N 421.538 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)c(C)n3)CCO2)C1 1833459598 WGDVCYXZCIPHOR-KKSFZXQISA-N 419.453 0.637 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnn1C)CCO2 1834230494 NGNVKVKOPNLLRX-HXUWFJFHSA-N 406.483 0.473 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1 1834605745 NJSXAESXDLWPLD-UHFFFAOYSA-N 400.426 0.972 30 20 HCED COCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834966076 XJZQTIOBYPUOBQ-NRFANRHFSA-N 401.463 0.594 30 20 HCED O=C(C/N=C/c1ccco1)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835780122 DXQUFQYVPGVMDM-HYARGMPZSA-N 420.510 0.279 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442193 RZZSURXGOCKLPL-BUBPSJRHSA-N 423.558 0.288 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837814583 QADOKLDLXQRGRT-LPHOPBHVSA-N 409.508 0.812 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCN4CCCC4)C3)C2)c1 1838742669 KYGPGMVSLFYWML-OAQYLSRUSA-N 415.494 0.442 30 20 HCED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906570 QVHKSTBRZALCCI-OAQYLSRUSA-N 409.446 0.676 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839223560 ZSLQIZKVKYMRPE-OXQOHEQNSA-N 421.498 0.600 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839642242 IPDJELODFLFDMI-MGPUTAFESA-N 403.483 0.297 30 20 HCED CC(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043039 DUKPCEILNNSMFC-JOCHJYFZSA-N 414.458 0.968 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840163204 FIWVKWKWZGJATI-CFLQYTFWSA-N 405.520 0.798 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840428744 VKNQGQPMZKAVHM-LAUBAEHRSA-N 400.479 0.389 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1cccn1 1840444788 GPVYAACBYHQLCQ-OXJNMPFZSA-N 401.467 0.594 30 20 HCED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840523323 VKCVYNKCFCYUNR-LQOIVRHRSA-N 410.515 0.341 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@H]4CCOC4)C3)C2)CCC1 1840815978 MHLWSTPNCDFNTE-LAUBAEHRSA-N 405.495 0.953 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1840869950 BZXJZUJOUKYTAB-OAQYLSRUSA-N 411.462 0.866 30 20 HCED CCOC(=O)c1c(CCC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c[nH]c1C 1841455849 AKSKLFLSRUEVEO-UHFFFAOYSA-N 415.446 0.724 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842057019 ZHSSVGAWHKRHTM-UONOGXRCSA-N 414.462 0.234 30 20 HCED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@H]3CCc4nc(O)nc(O)c4C3)C2)CCC1 1842060660 IVAZBGCEEVOECD-ZDUSSCGKSA-N 411.462 0.890 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1843406434 DDUFVEYSUCJUBM-AGIUHOORSA-N 408.524 0.565 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843858748 FDEWYBQKTASNBG-UHFFFAOYSA-N 412.446 0.983 30 20 HCED COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)n1 1844300415 DWVRAXNCHVPDHW-KOMLCTQHSA-N 419.482 0.876 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 9480711 QOXAHPHMRTWZAN-UHFFFAOYSA-N 404.452 0.621 30 20 HCED C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 55664099 AIOPZHPEZAYTHA-UHFFFAOYSA-N 400.416 0.933 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O 105779957 KRLXQXXHHUQNBU-UHFFFAOYSA-N 401.354 0.842 30 20 HCED C=CCOC[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)OC 435932498 CPNHTNHWDMCXMV-CYBMUJFWSA-N 416.390 0.923 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 436817537 RTFIQIZBTNPPDL-AWEZNQCLSA-N 402.499 1.160 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1 443475467 LXUDWQLOKAGANV-UHFFFAOYSA-N 408.299 0.635 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 443753095 DXQCSHVGBRZRRT-UHFFFAOYSA-N 402.432 0.954 30 20 HCED CCO[C@@H]1C[C@](CO)(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1(C)C 444568770 ITTCANHWNKYSQX-URKNILKWSA-N 409.508 0.907 30 20 HCED CC(=O)Nc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C 446533039 WCPTVACGEWPPTG-UHFFFAOYSA-N 401.467 0.966 30 20 HCED C[C@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1 462118381 VUJDOHNCJKQMRY-MAUKXSAKSA-N 418.519 0.109 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCS(=O)(=O)N1CCCC1 465191801 GVZRFSXVQLNHGO-HNNXBMFYSA-N 406.512 0.591 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)C1=O 466504158 HOHPTWGZDPPECB-PXNSSMCTSA-N 421.519 0.687 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C 470507564 NBGWWOSVRRFVGA-CVEARBPZSA-N 420.535 0.937 30 20 HCED N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 470554178 WGXONPQJIKLWKD-RDJZCZTQSA-N 415.475 0.690 30 20 HCED CCOC(=O)c1cnn2c(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)ccnc12 472290872 DODAVNNAMGSUJX-UHFFFAOYSA-N 422.449 0.782 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(CC(F)F)c3)CC2)c1C#N 472867443 BDNUGUVFIRNFFG-UHFFFAOYSA-N 406.397 0.349 30 20 HCED Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCN(CC#N)CC1 475049721 ZGXXFTYIAUVIEO-UHFFFAOYSA-N 407.540 0.506 30 20 HCED CCn1cc(CN(CCO)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 477400005 QFNCLOPQYDKUOL-AWEZNQCLSA-N 405.480 0.463 30 20 HCED CNC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 480122225 XSWFRLVNDPIOEN-CYBMUJFWSA-N 400.460 0.901 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC2(S(C)(=O)=O)CC2)c1C 484923046 YVUPKCABXHGOLM-UHFFFAOYSA-N 415.475 0.993 30 20 HCED C[C@H]1OCC[C@@H]1N(CCO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 485193099 QDBZCHUGNCZRKQ-DOMZBBRYSA-N 401.398 0.820 30 20 HCED CN(C)c1ncc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488635028 DLVUWNHFFCTJNK-INIZCTEOSA-N 407.434 0.270 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 507064532 KSLJQVOTKLZISW-UHFFFAOYSA-N 413.474 0.905 30 20 HCED Cn1c(NCCNS(=O)(=O)c2ccc(F)cc2Cl)c(C#N)c(=O)n(C)c1=O 509518200 WXMDJUIYCUFYMM-UHFFFAOYSA-N 415.834 0.139 30 20 HCED N#CCNC(=O)CNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 511916013 KTRUXRHNPIWEAT-LLVKDONJSA-N 423.271 0.844 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 512594087 UCLOPBZECOOOQG-FQEVSTJZSA-N 412.538 0.959 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCO1 518007655 OBFGVQFHFULUEF-LBPRGKRZSA-N 418.928 0.459 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](O)COc3ccccc3)n2)cc1 531160026 HOURKGOXUNXFTJ-KRWDZBQOSA-N 420.429 0.693 30 20 HCED CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 535350404 PXHBFMXOZGWLHV-YOEHRIQHSA-N 422.507 0.984 30 20 HCED CCS(=O)(=O)N1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 542741022 KOKLGSRUGNEEIX-UHFFFAOYSA-N 416.481 0.806 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCn4nnnc43)CC2)cc1 552400149 AMEYFQIHUQUOTJ-UHFFFAOYSA-N 401.452 0.382 30 20 HCED C[C@@]1(C[C@H]2CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)NC(=O)NC1=O 553451996 DFYPXHFVZGLRAW-QRWLVFNGSA-N 407.434 0.919 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)n1 553958785 QVQGOVBTZZLREK-IBGZPJMESA-N 408.510 0.751 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 554152969 ZJXJNVARSFDLFZ-UKRRQHHQSA-N 413.521 0.508 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 564259527 FSBJYWZZOCQNLK-HNNXBMFYSA-N 404.492 0.886 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCCc4c3cnn4C)CC2)c1C#N 567926909 VEXAKYQUASHUFX-INIZCTEOSA-N 410.482 0.176 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@](C)(C#N)CSC)c1 571201551 OECZLGXFDGKLTK-MRXNPFEDSA-N 400.526 0.640 30 20 HCED CCCCN(CCCO)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 574431588 WAUHUVKIQYEJTF-GOSISDBHSA-N 400.479 0.786 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 576664522 PNQZFWATOZWZIG-IRXDYDNUSA-N 400.435 0.044 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)CC1 581361793 RXDUYIDJXROUJS-UYAOXDASSA-N 405.587 0.628 30 20 HCED 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C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1796386213 ZJLZRRFEAPITSS-FQUUOJAGSA-N 420.491 0.128 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Cn1cncn1)C2 1797713362 MJAYALIZMDWBFW-NQNKBUKLSA-N 405.499 0.077 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)NCCC#N)C2 1798381629 UVONADVPUVRBIX-LVQVYYBASA-N 406.531 0.614 30 20 HCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)nc2cccnn12 1798498440 YPKZCXCCXKGVNM-BKEDOTJMSA-N 411.462 0.505 30 20 HCED COC(=O)c1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)S)C3)s1 1799046740 VSLKLUWABWKXMN-LSSIXWDNSA-N 412.533 0.985 30 20 HCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@H](O)CN1 1799919986 FJOCALDUVUJXIO-BMXLNMGHSA-N 403.504 0.848 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2c(c1)CCNCC2 1800246382 ZYHDLTGQSABTQQ-PTOXDTDZSA-N 404.536 0.291 30 20 HCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1800492362 HXMGZYKCCKMJIL-AKHDSKFASA-N 404.555 0.568 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3cc(Cl)ccn13)C2 1800776025 OMDKOFZNVOHFGD-KSPBDQMDSA-N 416.821 0.279 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(F)CC1)C2 1802126586 APFGLQUALTXOPF-QKPAOTATSA-N 423.485 0.995 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnc(Cl)nc2)[C@H]1c1cccnc1 1802300752 KWFZNBQBKBUTJV-CXAGYDPISA-N 413.821 0.933 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1c1cccnc1 1802483046 OICYAOUGTABUTM-LRJKKDHCSA-N 423.477 0.238 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](CNC(=O)C(O)O)[C@H]3c3cccnc3)c2c1 1802926671 IQTHBINANUTPNS-KBXCAEBGSA-N 420.429 0.460 30 20 HCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)Cn3ccncc3=O)[C@H]2c2cccnc2)CC1 1806858550 MPGPTHZSPWINCF-LPHOPBHVSA-N 406.446 0.648 30 20 HCED C=CCSCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807042717 LYDWFGGTZJEMNQ-TXPKVOOTSA-N 419.551 0.599 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cn[nH]c2)[C@H]1c1cccnc1 1808603677 YKKNNXAJYYHNKD-FRWFVBGZSA-N 408.462 0.983 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810248618 MLNKQHAJXPXUAA-BQFCYCMXSA-N 413.482 0.347 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810361682 VKPAHEVXDHIOMF-ZBPHCFQXSA-N 416.522 0.950 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(O)nn2)[C@H]1c1cccnc1 1812879343 DGZLYBPKWFFTOJ-BTYIYWSLSA-N 423.429 0.304 30 20 HCED CN(CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC2CC2)n[nH]1)C(=O)C(=O)O 1815121453 ZMBMHYYTSVJNMV-CQSZACIVSA-N 401.423 0.358 30 20 HCED C=C1CC(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)CN3CC(=O)NC3=O)n[nH]2)C1 1815664373 VBNLDXSKXLHOOS-CQSZACIVSA-N 400.439 0.920 30 20 HCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)N3CCOCC3)[nH]n2)CCC1 1823378544 LYEQQZFDIGWCTF-WBVHZDCISA-N 416.482 0.746 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3occc3C)C2)C1 1829766264 OTADHDQKOMRAPH-OLEQZPESSA-N 417.462 0.516 30 20 HCED COc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1F 1830056339 UQPKYWRFASUCAK-FQEVSTJZSA-N 420.441 0.849 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1830057647 IYNFOHOHXUBHGA-MRXNPFEDSA-N 421.372 0.098 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1830058320 VUMBNBMNUAZZKE-NRFANRHFSA-N 411.462 0.954 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1830872599 FPUDAUXFKURSDI-NQIIRXRSSA-N 419.453 0.784 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1831426519 MKDIHMBGSKRABS-IFXJQAMLSA-N 424.885 0.791 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831486694 DTFCIPIMDBOVDM-PBHICJAKSA-N 418.585 0.414 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832671851 BNQMMRNQPWLKGA-UYAOXDASSA-N 423.535 0.871 30 20 HCED Cc1cc(C)n(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1833037676 GSJPXANBRREMDL-FQEVSTJZSA-N 401.467 0.260 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834587587 STJYAIGITDXSQU-DYESRHJHSA-N 419.478 0.430 30 20 HCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834763382 FQSSCVKSJWUJOX-MRXNPFEDSA-N 415.372 0.423 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834767327 GAWXKVVWADSTTQ-HXUWFJFHSA-N 400.435 0.629 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1835102473 UBAWJBIIIDIZDF-HSZRJFAPSA-N 412.486 0.800 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835416512 VRPUJTFDYPVZER-UWJYYQICSA-N 410.511 0.851 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CSCC(=O)O)CC3)CC2)CC1 1836560751 RCGFLTLDLFVJBQ-UHFFFAOYSA-N 408.524 0.680 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431448 QSRRCLRGKYOSPR-UGSOOPFHSA-N 405.480 0.118 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838762317 YXGJAWIIUDOLCK-HXUWFJFHSA-N 403.483 0.517 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1Cl)CCO2 1838866953 VDYCTAJZYCFIPU-IBGZPJMESA-N 406.822 0.498 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)ON=C(C)C)CCO2)C1 1839227903 MXMNAVKBYDYYPX-MBOZVWFJSA-N 412.531 0.584 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)cc4F)CCO3)C2)CC1 1839315804 KGEIONGKQWNEHM-FQEVSTJZSA-N 403.410 0.905 30 20 HCED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362311 KZVWHFZBEOKAHS-QFIPXVFZSA-N 423.473 0.870 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839840517 HIXQMUCMRKKCCD-LAUBAEHRSA-N 403.479 0.517 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840159356 ZOEYLXOTPJWTRF-ADLMAVQZSA-N 412.487 0.815 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840163835 OZPUMRHYJUNQAX-SCLBCKFNSA-N 410.496 0.054 30 20 HCED CN1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)C1 1840568187 GZCBYFYUHKXOSE-QFIPXVFZSA-N 412.490 0.119 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ncccc45)C3)C2)CCC1 1840813512 DFGONODUPUHJFO-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1Cc3ccccc3CN1)C2 1841054222 AQHPPSZZEQEVKK-QWUACUGRSA-N 408.502 0.763 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2 1843326192 HCWIHVKIPBOQMZ-AWEZNQCLSA-N 406.483 0.769 30 20 HCED CN(CC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2Cl)C1)C(=O)C(=O)O 1845488995 YSVKLXJYXSOFMC-UHFFFAOYSA-N 418.837 0.572 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)c(Cl)c1 1846461010 DEAMJDVDCJKVHZ-UHFFFAOYSA-N 412.833 0.954 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 16449760 HFPFLTUZBPXXLU-UHFFFAOYSA-N 423.491 0.959 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 46231867 WJAUAQFMMKLXNR-UHFFFAOYSA-N 400.435 0.239 30 20 HCED C[C@@H](Cn1cccn1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 46463104 WHEHUFPWLYBNMD-HNNXBMFYSA-N 402.480 0.859 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCNS(=O)(=O)c2ccccc2)cc1 117382825 XXOVKHFCZDXPIU-UHFFFAOYSA-N 422.484 0.733 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\CC3CCN(S(C)(=O)=O)CC3)NC[C@H]2C1 305018147 MSYXPHVWDLLHAF-HNNXBMFYSA-N 415.560 0.539 30 20 HCED CCOC(=O)[C@@H](Cc1ccccc1Cl)NS(=O)(=O)N1CCO[C@H](C#N)C1 409511515 PUGJRWOZNSKRNS-UKRRQHHQSA-N 401.872 0.873 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)ccc21 435252221 POEWQPLKQLOWPS-JOCHJYFZSA-N 423.473 0.947 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)C1=O 437856708 YPQKCPFFFUCTMF-XJKSGUPXSA-N 421.475 0.562 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)Cc2ccccc2)n1 439602540 RMGWVAOLFFOYAU-OAHLLOKOSA-N 407.405 1.541 30 20 HCED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 442024605 DXVCVLDSGQEPJM-NSHDSACASA-N 402.842 1.176 30 20 HCED CNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443468184 TYFSCNASXKNNSQ-UHFFFAOYSA-N 401.286 0.373 30 20 HCED Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1C#N 443484647 MMQRCNYPBFZCGF-QGZVFWFLSA-N 414.487 0.748 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)c1 447834483 WSGOAUFERLIATK-WBVHZDCISA-N 412.508 0.637 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 448294214 OEYISZDADVFKJV-UHFFFAOYSA-N 419.457 0.241 30 20 HCED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471043848 NPBZYYPRDCMKHP-OAQYLSRUSA-N 415.494 0.637 30 20 HCED C[C@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CCO2 472926179 VFIDJKOUUIHFPR-JLTOFOAXSA-N 410.434 0.543 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1 474253346 SNWUMYRRZRPVAL-INIZCTEOSA-N 418.461 0.759 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 477459648 ZOZUXXLBZCNXGE-GOSISDBHSA-N 408.524 0.567 30 20 HCED C=CCOC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481772421 CJAKNUCAEAMFMI-INIZCTEOSA-N 412.464 0.182 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 482840933 QQAIXLQKAAVWKA-WBVHZDCISA-N 406.508 0.406 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486483421 AEQWGJHHLCGBRX-MRXNPFEDSA-N 407.496 0.288 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)C(=O)Nc3cccc(C(N)=O)n3)CC2)nc1 504670445 RSVPAIJBJOGMHP-UHFFFAOYSA-N 408.418 0.892 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 510529690 PPFQYYKPNXJGLU-HNNXBMFYSA-N 409.487 0.953 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)cc1 519304600 FOMVAGJKNVIJJO-UHFFFAOYSA-N 405.480 0.800 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 530844912 NVRLXQCJMISXIB-UHFFFAOYSA-N 413.478 0.834 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 540280439 HFTPCYJKIKCZDL-CQSZACIVSA-N 403.487 0.333 30 20 HCED C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549260985 LSNGEJDXWRUXLG-WMLDXEAASA-N 424.461 0.514 30 20 HCED C[C@@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(N)=O 551351720 GSKCGVQGWNPTJC-SUMWQHHRSA-N 417.429 0.851 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)C1=O 559381659 WDWQCXYIQJNFAX-JKSUJKDBSA-N 420.535 0.483 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCSC1 559866076 WPGZRQHQUZHPRJ-OAQYLSRUSA-N 415.563 0.756 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 564750985 WPCRUMRCBMVOTH-GFCCVEGCSA-N 414.445 0.184 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H]1c1ncc[nH]1 569160071 PDZHHUFQGBQKTE-MRXNPFEDSA-N 419.449 0.706 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 579275599 GFHUJOUGTKOKHE-FHLIZLRMSA-N 414.462 0.432 30 20 HCED CSC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 583108759 XMOSJQBAZYIOMB-GOSISDBHSA-N 424.548 0.914 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 585720584 PCGCKWATUCGGNH-UHFFFAOYSA-N 412.538 0.419 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 589138851 IPLBBSVKAZGGRG-DNVCBOLYSA-N 400.479 0.763 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C 590983226 RHBKWYPYBPCOHI-UHFFFAOYSA-N 405.451 0.250 30 20 HCED Cc1nc(=NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n(-c2ccc(C#N)cc2)[nH]1 610112509 NYMJMYFEEWJDFS-LBTBCDHLSA-N 402.414 0.615 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccncc4)c3)CC2)n1 612848439 VCHDOOOAZFTZCU-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 670741601 XRERGSKOJDKUFJ-DLBZAZTESA-N 409.508 0.449 30 20 HCED C=CCN1C(=O)N(CCN2CCN(S(C)(=O)=O)CC2)C(=O)[C@H]1Cc1ccccc1 683275597 JTAQTDFVFNIDQA-GOSISDBHSA-N 420.535 0.625 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2cccc(OC)c2)C1=O 726042534 DGORTOKLYAYCSC-UHFFFAOYSA-N 403.391 0.174 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@H](C)CN2CCCC2=O)cn1 726112394 OINHADRBDDBTAT-OCCSQVGLSA-N 406.512 0.982 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc(N)c(Cl)c3)CC2)o1 728628286 HYIYENWVKNGVLT-UHFFFAOYSA-N 404.814 0.991 30 20 HCED Cc1cc(=O)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1ccccc1F 731861303 VRBXPPWSMRJPBY-ZPHPHTNESA-N 411.393 0.936 30 20 HCED Cc1cccc2nc([C@H](C#N)C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)[nH]c12 735792027 GQCJXTPZFLPVKD-GFCCVEGCSA-N 405.418 0.885 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCNc1nccc(C(F)(F)F)n1 739004913 RHNOUTPAKPCHMQ-OUKQBFOZSA-N 413.360 0.733 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nccnc2NC(=O)C(C)(C)C)CC1 742642926 UWILIHAPVIWCJR-UHFFFAOYSA-N 400.483 0.359 30 20 HCED C[C@H](CC(=O)OCC(=O)NCc1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 745495848 INRIICGBSIVFNI-GFCCVEGCSA-N 405.432 0.956 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)c1 747146666 RLVMPCZOZBZBRV-NZSAHSFTSA-N 405.520 0.922 30 20 HCED N#Cc1cnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 747225512 HWCTYKVEQUYEAX-LBPRGKRZSA-N 404.901 0.246 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(C(=O)N(C)C)[nH]2)CC1 752166851 ZMENJCRQUUSSOD-UHFFFAOYSA-N 419.511 0.494 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)cc1C#N 752411191 MEPAQLXBHFNXFP-LRDDRELGSA-N 403.439 0.900 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2scnc2C)c1=O 758066671 AVBUVCKSSGKPTG-UHFFFAOYSA-N 416.528 0.354 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cccc(NC(C)=O)c1 763461399 YPDNCTJAWMJSQP-UHFFFAOYSA-N 421.482 0.445 30 20 HCED N#Cc1cc(NC(=O)c2ccnc3c(C(N)=O)cnn23)ccc1N1CCC(O)CC1 764407500 DTYSYHDVJHWMQF-UHFFFAOYSA-N 405.418 0.913 30 20 HCED C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 773131307 KOLWCMGUMSYMAV-ZWKOTPCHSA-N 407.492 0.688 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1CCCO1 773794827 JCOHYNFDTNOEFO-HOCLYGCPSA-N 409.439 0.601 30 20 HCED CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc2c(c1)OCO2 774300403 AUPSPCSXFDFNLT-AWEZNQCLSA-N 406.464 0.961 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCOCC1 776501310 SMJYNZZZJBCSAT-OAHLLOKOSA-N 422.507 0.259 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)CC1 783574147 PFGLUMSRVQREOJ-UHFFFAOYSA-N 416.482 0.721 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 787601618 FAARWVHEDMASFE-GHMZBOCLSA-N 408.386 0.239 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C#N)CCC1 787747850 RTXPWNSCXKWNSB-OLZOCXBDSA-N 404.448 0.719 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 789808744 JFJJWZBENOUKHD-OAHLLOKOSA-N 405.476 0.664 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OCC)c(C)cc1F)[C@H]1CCS(=O)(=O)C1 793043975 WZFKOLDFQWKEGW-ZDUSSCGKSA-N 424.450 0.898 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)[C@@H]1CCCO1 793952986 QMYALIOXOGKZEN-ROUUACIJSA-N 421.519 0.428 30 20 HCED Cc1cc(NC(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 800755684 OTQBIDALOYFEAS-UHFFFAOYSA-N 405.436 0.339 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F 806897715 WZSAWFAUPFYBCE-AWEZNQCLSA-N 423.470 0.213 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1C#N 809501272 HADJYBSQLCUAON-UHFFFAOYSA-N 422.445 0.026 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1-c1ccccc1 812274718 KDJRPVFDELLXPX-UHFFFAOYSA-N 415.425 0.819 30 20 HCED CCc1nn(C)c(OC)c1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 814745757 GIMZPURHSPTPJH-UHFFFAOYSA-N 421.527 0.768 30 20 HCED Cn1cc(S(=O)(=O)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1C(N)=O 815896580 LJFZSDBZHWRKKT-UHFFFAOYSA-N 401.326 0.528 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(O)C1=O 816759603 QFHOETADNSEUDX-CQSZACIVSA-N 408.480 0.782 30 20 HCED CC(=NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916268404 FRYPOBJLONZKRJ-UHFFFAOYSA-N 411.461 0.752 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C 917272552 XEIOSHAQEHNVRL-IAQYHMDHSA-N 404.402 0.848 30 20 HCED Cn1c(C=Nn2c(S)nnc2-c2ccc(F)cc2)nc2c1c(O)nc(=O)n2C 920370277 GIUVFGSJAWGVDP-UHFFFAOYSA-N 400.399 0.941 30 20 HCED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@H]2C(=O)N(C)C)nn1 996883896 GDZPJSYMOSZLPU-KDEOKCCVSA-N 400.483 0.440 30 20 HCED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1109415067 BZYBZLNQLLJZGK-ZBRFXRBCSA-N 401.511 0.529 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN1CCOCC1)CC1CC1 1167749351 PGGZMSXRECNDIC-MRXNPFEDSA-N 420.535 0.796 30 20 HCED C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1288600102 XCVBSJWZWIOGGE-BEFAXECRSA-N 405.478 0.677 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1316349339 SGXNDHBKBXFPEP-OAHLLOKOSA-N 423.520 0.485 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1322106640 IAUODJHEZQTLEF-QZTJIDSGSA-N 410.492 0.345 30 20 HCED C=CCN(C(=O)C1CCN(c2ccc3nncn3n2)CC1)[C@H]1CCS(=O)(=O)C1 1325425158 WHDMQZUPSWQAED-HNNXBMFYSA-N 404.496 0.542 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)COc2ccccc21 1342976735 ANONECBIUDIANX-OAHLLOKOSA-N 421.461 0.994 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCO1 1360708421 WFOYGYOEAGQQLC-IMJJTQAJSA-N 423.543 0.244 30 20 HCED CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552400887 ANFPJVIKVPINLE-MRXNPFEDSA-N 423.587 0.983 30 20 HCED CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552430447 NEOIAFSISJIDKH-OHZJNBGDSA-N 400.512 0.680 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1566644392 UNUFAMSUFIGHOX-GXTWGEPZSA-N 410.883 0.715 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 1570694896 KWKIQSWJVVYTMA-CQSZACIVSA-N 402.270 0.604 30 20 HCED COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1C#N 1632534311 LAJIXPCIOJHAOV-UHFFFAOYSA-N 414.443 0.940 30 20 HCED COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640451159 VRIPMRNBITYKBG-BXUZGUMPSA-N 423.413 0.623 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N4CCOC[C@@H]4C)CC3)CC2)o1 1645881276 NMMIOELMQGNXLL-INIZCTEOSA-N 416.526 0.688 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2ccnn2C)C1 1647976455 ODJLFQHXUDIPLZ-DYVFJYSZSA-N 403.464 0.559 30 20 HCED Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CC(=O)N(C)C)C2 1726248395 POJHUPNKXCDFEM-UHFFFAOYSA-N 421.465 0.737 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1741125368 RCBXTVHKIFHPPQ-CQSZACIVSA-N 408.528 0.935 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1760804036 VXNIVUOENJYDNP-QWHCGFSZSA-N 410.500 0.171 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(CC)c2)CCOC1 1765924231 UHSUMNFMWGWJDE-LPHOPBHVSA-N 401.471 0.924 30 20 HCED COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)S)C3)n1 1778247181 SEKZOMAQVSTZNO-IDHHARJASA-N 410.540 0.975 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1778514504 DGWOCFXZOYOOJB-RHVSLNNASA-N 423.473 0.865 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1778972506 WDARTOSJXZSPFD-VFNWGFHPSA-N 413.478 0.975 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015194 RAESRQWWGDQHTI-TTYLXTBDSA-N 407.515 0.203 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccn1 1779020555 PYIXSGUZVPBPKT-SGECOUMVSA-N 402.499 0.746 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2 1779332516 IJRBYHUBJBDRLG-YJPQMCDFSA-N 407.511 0.352 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)c1 1779878634 ATJYTLQQSQZWPZ-NRFANRHFSA-N 420.429 0.204 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)CN(C)C)CCO3)c(C#N)c1 1781173831 ILVFOWWVHPPZHU-NRFANRHFSA-N 400.479 0.501 30 20 HCED CCCNC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781392808 FVJXVFXRYOIFIC-JXFKEZNVSA-N 410.515 0.924 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781482241 PSTUWUXBHRTIPL-CSODHUTKSA-N 418.494 0.348 30 20 HCED C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1783519382 MMHRZSYIZJXFIM-DIFFPNOSSA-N 412.368 0.796 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)cc1 1784281173 CKUNAYAIKOSTIE-BZSNNMDCSA-N 412.446 0.604 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C[C@@H]21 1784500219 IUGPHXXUBNWATO-FZCLSBEQSA-N 403.479 0.570 30 20 HCED CC(C)N(C)CC(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784772883 GYAGWTUWTWEJGH-LVZGSSTFSA-N 410.515 0.686 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1785015044 WJCYRYRHUDDCKU-DZKIICNBSA-N 407.492 0.598 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785643930 HXXMXLJBZCHJBL-FHIRATQRSA-N 402.451 0.980 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1786560398 UVTROOOXTSGFNC-ULQDDVLXSA-N 423.429 0.963 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4c(F)cccc34)[C@H]2C1 1788395799 DDUVPYRGRXHMLG-WHOFXGATSA-N 414.393 0.383 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3)C[C@@H]21 1788628484 IYQRTPJKXMWNEE-WDSOQIARSA-N 412.490 0.769 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OCC)CC3)[C@H]2C1 1790717969 QQNDCUAEUHQANH-QZWWFDLISA-N 406.479 0.348 30 20 HCED CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1790867062 VPDJWYMKJAAEFE-BVBHFADKSA-N 419.522 0.189 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c(C4CC4)c3F)C[C@@H]21 1791073990 KGVAHKMIPZRAMH-AVGNSLFASA-N 404.398 0.108 30 20 HCED COC(=O)CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791078196 ZTVPDIUALUYXLO-JYJNAYRXSA-N 408.451 0.178 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)n1cncn1 1791611448 GUPTVEMDZJCKEE-QZWWFDLISA-N 417.514 0.101 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C(=O)OC)C1 1792963520 BLZUAUPLDDSRQD-LVZMMCSGSA-N 406.479 0.204 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nnc2ccccc21 1793710965 DKVWVFFPBORDBK-GTYSZEQSSA-N 417.535 0.975 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1c(=O)oc2ccccc21 1794259370 VEHOZEINNGXMKB-QDMKHBRRSA-N 411.414 0.711 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(=O)oc1 1794998751 RVAGMLGDPGBPAD-UPHUGPLXSA-N 423.425 0.794 30 20 HCED CN1CCCn2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)CCC#N)cc2C1 1795421587 KQWGGFWPZQRQQN-CCWDJLKJSA-N 400.483 0.226 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2cnccc12 1797562298 UZLBJCHMHBZVGR-PCUZFBEDSA-N 423.473 0.625 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2cn[nH]c2cn1 1797579075 IWGANQZCSSFWGC-DACLVMHWSA-N 413.478 0.734 30 20 HCED CC(=O)O[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)C(C)C 1797590708 WBVOHETXKXZORF-MHORFTMASA-N 422.526 0.446 30 20 HCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC(C)=O)OC(C)=O 1797789982 KXUNXNAEALTFCH-SOGIYBJLSA-N 410.467 0.283 30 20 HCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1)C2 1797839206 SRISEGRAVZZNLM-SESRIWRTSA-N 413.478 0.965 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c[nH]c(=O)cn2)c1 1798637128 SUHNVWAIUJJKER-NYYTWLDWSA-N 421.457 0.914 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C)nc1O 1798653947 CAXPVGZTCINLCQ-YALNPMBYSA-N 403.479 0.872 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccc(Cl)c1OC 1798688118 FMIBJJIYBOWXBS-AYDFFVQHSA-N 421.881 0.985 30 20 HCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)n(C)n1 1798921016 WVONFJICRICIJY-HGKCTWBKSA-N 409.446 0.817 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccn(C)n1)C2 1799305096 OKONHKPORIAOGH-CCWDJLKJSA-N 404.467 0.062 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)c1ccccc1-n1nccn1 1799670796 MPPHYDPJLBLSIA-UPHUGPLXSA-N 405.458 0.884 30 20 HCED C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N)n1ccnc1 1801989996 OEYXOCLWCCRCNR-LAVAIGHBSA-N 423.473 0.984 30 20 HCED N#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806864465 YBKPKANNICFRFE-DNVCBOLYSA-N 421.461 0.645 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1808845078 CXQYUBNREZKQLK-UKPHBRMFSA-N 403.487 0.371 30 20 HCED CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1810305698 JAQGBKOXLNWZFT-XLIONFOSSA-N 413.547 0.985 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)C(O)O)[C@H]3c3cccnc3)c2c1 1812068149 KURYXVQUJRMOEM-KDOFPFPSSA-N 420.429 0.460 30 20 HCED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817353204 NLYAIVLXFJKUIX-ZBFHGGJFSA-N 420.514 0.977 30 20 HCED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821265307 VVNABIXPNBAOKX-JTQLQIEISA-N 409.431 0.685 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3ncccn13)CC2 1825667218 IWFWEHICKGZDQG-JTQLQIEISA-N 410.415 0.500 30 20 HCED O=C([C@@H]1C[C@H](O)CN1)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828915481 CTAYJLOKNONDAQ-MMUOASPGSA-N 419.570 0.801 30 20 HCED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)CC1 1828963754 HOTVNOHVGGZZKT-CTNGQTDRSA-N 403.523 0.670 30 20 HCED Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830053363 QHZPNBNIQIVYSK-OAQYLSRUSA-N 400.479 0.939 30 20 HCED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830061629 OZSIJAMXLAPMIZ-UTKZUKDTSA-N 408.543 0.970 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)c(O)c1)CCO2 1830248430 SEOIGSUIGLGSSE-QFIPXVFZSA-N 416.474 0.813 30 20 HCED CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N(CC)CC 1831209545 WSXVVESBXFJRQM-KNQAVFIVSA-N 405.539 0.977 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1831412727 BORJSDYDTYSTGC-YLJYHZDGSA-N 421.498 0.278 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1831424642 LOUPYEHJIZEECO-MMOPVJDHSA-N 418.494 0.129 30 20 HCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831492365 KOLKZIWGUGKNPH-LGGJOLOLSA-N 420.597 0.556 30 20 HCED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831628446 UFYWAGUVVGLBRH-PGRDOPGGSA-N 422.522 0.424 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832939528 LZLADIPRDUZBKM-MRXNPFEDSA-N 408.499 0.784 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427108 FWTFGTFQDOUIPS-QFIPXVFZSA-N 423.561 0.936 30 20 HCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nc1 1833645878 PZCPHQBUYUKIAT-FQEVSTJZSA-N 401.467 0.521 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn3C)CCO2)C1 1833910424 HDVBHIQSHRUPRD-OXQOHEQNSA-N 406.483 0.896 30 20 HCED Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccc1F 1833963480 ZUAGDGYQEXSAKO-UHFFFAOYSA-N 416.453 0.802 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834174896 YGBPFIUVGVJEAT-OXJNMPFZSA-N 406.483 0.063 30 20 HCED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1C 1834176001 ZQDYYZQQAYEGJL-UHFFFAOYSA-N 401.467 0.002 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)c1 1834445286 BNFDYCGVYFBSCP-SWHKHVPSSA-N 415.450 0.202 30 20 HCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364228 NAUBFRYBIJBPFQ-FVJLSDCUSA-N 419.478 0.502 30 20 HCED CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)ON=C(C)C)CC2)CC1 1836835388 UULLJKGQJOHRBS-OAHLLOKOSA-N 410.515 0.922 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccn5cncc5c4)CCO3)C2)CC1 1837077468 YJKPKPXSYRRKCC-OAQYLSRUSA-N 409.446 0.708 30 20 HCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837479676 OYIBQAHWIWUXQI-HNAYVOBHSA-N 402.455 0.037 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838050586 RWEKDFSCIUKQNS-OAQYLSRUSA-N 424.461 0.845 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1838774272 WYBSKRPDUZHESQ-INIZCTEOSA-N 416.478 0.839 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1838952851 JIKHUBDXBPZZLS-IIBYNOLFSA-N 424.461 0.481 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1839224467 UFDYALXHIAAZHC-KXBFYZLASA-N 407.471 0.291 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839373385 DMKWEQIZHAGJDQ-ZMZPIMSZSA-N 412.464 0.192 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839529968 SIHUHFSUGJAZQF-HXUWFJFHSA-N 401.467 0.449 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)[S@](=O)c1ccccc1)CCO2 1839673350 OGGDHGOXXXISLL-OLTRKWAKSA-N 404.488 0.272 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3Br)C2)C1 1839809088 PZGRGIIKUVHSDP-QGZVFWFLSA-N 408.252 0.547 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)cc(OC)c3F)C2)C1 1839809178 SYGFQBIVYDUAFT-HXUWFJFHSA-N 406.410 0.546 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839843357 ZCQBPIBFWQGBLF-KXBFYZLASA-N 412.556 0.139 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840160718 QGHZLXAUKCGWNK-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840320138 BUCWGKQGMSNHIP-FQEVSTJZSA-N 411.499 0.791 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840585334 FULBBQHFEUNERQ-LQWHRVPQSA-N 410.511 0.851 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840595935 RZIBLISQEDNUCZ-GOSISDBHSA-N 402.438 0.959 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1840842229 VPIRIPCKFQRKRY-NRFANRHFSA-N 414.462 0.523 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840843604 DSVGZWOVMKQUDY-NRFANRHFSA-N 414.437 0.957 30 20 HCED C=C(C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1)C(F)(F)F 1843131031 OGGJMIQSBWEKPM-UHFFFAOYSA-N 418.397 0.774 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1845187802 WAFAYSJBUBQIOJ-UHFFFAOYSA-N 402.407 0.501 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O 28972460 IKLPFKSXAWMINW-UHFFFAOYSA-N 424.505 0.647 30 20 HCED C=CCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)[C@@H]1CCS(=O)(=O)C1 57238238 AOTRPALQEHWCHP-GFCCVEGCSA-N 406.551 0.655 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN([C@@H](C#N)c2ccccc2)CC1 217134595 PMHIOHULKRPDQJ-QRQLOZEOSA-N 404.536 0.903 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409530229 PADQPHWMRAFQNC-QGZVFWFLSA-N 421.523 0.274 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 410141085 SWAZGTSIQMPZKR-IBGZPJMESA-N 410.540 0.626 30 20 HCED C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 426854666 UVUWOUBROLXMCU-MRXNPFEDSA-N 423.535 0.975 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnnn3C3CCOCC3)CC2)cc1 432953888 DCLKXUCHRJYTGV-UHFFFAOYSA-N 417.495 0.403 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 433443660 NNPGXTPWAJAMKX-GFCCVEGCSA-N 414.465 0.655 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)Nc1ccccc1 437382005 SQVFCMXOMFVHGG-UHFFFAOYSA-N 403.402 1.141 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](CO)CC3CCCC3)n2)cc1 440204850 FCVMZVVVHMTRSL-SFHVURJKSA-N 410.478 1.442 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 442308643 OORZPCLZFWDMSP-UHFFFAOYSA-N 415.494 0.976 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCOC[C@@H]1C#N)n2C 461642110 KZWQBRCENTXLCG-ZDUSSCGKSA-N 405.480 0.507 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o[nH]1 462284009 PWXODTYSWFJUNE-CYBMUJFWSA-N 418.435 0.225 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 462657943 JNMZZVDDDNSFKZ-SNVBAGLBSA-N 408.465 0.491 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 463389540 IUBYECPFAXOKFM-HOTGVXAUSA-N 415.537 0.741 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475985816 SYZZMVCZNUZACV-IAGOWNOFSA-N 404.492 0.589 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@]4(CCCOC4)C3)CC2)o1 483384267 NBHBGINGCJKHLT-MGPUTAFESA-N 403.483 0.773 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2sccc2C#N)C1=O 484667971 KCLMCJFKOIXLLY-UONOGXRCSA-N 410.521 0.350 30 20 HCED Cc1ncc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1C#N 489592047 BJVXQWAEXIALAM-KRWDZBQOSA-N 415.475 0.143 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 492305776 WQJLGCRZJMDVHY-UHFFFAOYSA-N 406.527 0.242 30 20 HCED C=CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 495043475 YFHJBIVQROZVNL-IBGZPJMESA-N 406.552 0.983 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCOCC 502014438 FJDRPBLMCHNNBQ-UHFFFAOYSA-N 417.535 0.489 30 20 HCED CCCn1c(=O)nc(O)c2cc(C(=O)N(CCC#N)CCN3CCOCC3)cnc21 502547696 WYFWURKUMCZXNX-UHFFFAOYSA-N 414.466 0.595 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 502951795 QSPLYRXUYOUMOC-WOJBJXKFSA-N 412.534 0.960 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COCc2ccccc2Cl)c1=O 503706314 WAKYTMXYDCRBOJ-HNNXBMFYSA-N 407.854 0.775 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2c(N)nc(C#N)c2C#N)c1 504190477 VSYVRBSVEZRHTC-UHFFFAOYSA-N 401.452 0.878 30 20 HCED N#CC1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 510370271 XGAPFQWWORLAHJ-UHFFFAOYSA-N 417.484 0.724 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 513015998 AIARPRXEGGXEBE-UHFFFAOYSA-N 416.459 0.618 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2CCC(O)CC2)n1 513151953 ZPHIMSPYFJHGTE-UHFFFAOYSA-N 414.441 0.785 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CCn3cc(S(N)(=O)=O)cn3)C2)c(F)c1 517581777 XIPQDRSJEOFPHB-AWEZNQCLSA-N 420.470 0.717 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCCC2)cc1 523772683 SUGXKQSPYQWHNJ-UHFFFAOYSA-N 422.507 0.594 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 531588747 NIZGEDLJYZERRX-UHFFFAOYSA-N 422.869 0.215 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)COc1ccccc1 531713049 ZWLLFPXUAZPURG-ZBFHGGJFSA-N 403.460 0.781 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2cc(C)ccc2Cl)c1=O 542740430 WOKCMPDRPLJGGQ-CQSZACIVSA-N 407.854 0.945 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCOC2)n1 543932351 DFNXHCITACUIHE-NHYWBVRUSA-N 403.826 0.849 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCc2cccc(C#N)c2)c1 550978546 LIOYUTSEWNEUDN-CYBMUJFWSA-N 400.460 0.960 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CCN1S(C)(=O)=O 553853529 VVHIALOVZATMKX-JTQLQIEISA-N 422.326 0.975 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CCC#N 559017746 UEDPCSZLNAGQJI-UHFFFAOYSA-N 424.479 0.417 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)C2)nc1 559987720 ZKFNGSCYWNOZDA-CYBMUJFWSA-N 419.401 0.547 30 20 HCED CN(CC(=O)N[C@H]1CCO[C@@H]1c1nccn1C)S(=O)(=O)c1ccc(C#N)cc1 560880043 MIFCIWSAAORRMT-RDJZCZTQSA-N 403.464 0.559 30 20 HCED COCCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 560988860 PQGCDEGIOHZYOX-KRWDZBQOSA-N 417.485 0.430 30 20 HCED CC(C)OCCN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 562132458 RTPVJPZVQGTURJ-UHFFFAOYSA-N 411.466 0.647 30 20 HCED COCCn1cc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 564163592 CIESTWAARKNERX-UHFFFAOYSA-N 414.441 0.505 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)ccn1 564478259 MAZUXFHNIIZWCD-INIZCTEOSA-N 415.431 0.573 30 20 HCED Cc1nsc(N2CCN(C(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)c1C#N 568151076 IVZOGXHBLAGAKP-UHFFFAOYSA-N 412.541 0.579 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2cccnc2-n2cccn2)n1 569535514 ZDRVFBDDEXPKHN-UHFFFAOYSA-N 413.401 0.975 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 574830295 LRVKGZPZTOXDDI-UHFFFAOYSA-N 407.496 0.712 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1(c2ccccc2)CCOCC1 583431500 FSNIKGGFDAMEIL-UHFFFAOYSA-N 424.505 1.119 30 20 HCED CC(C)(C)NC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589490262 MHKMBEZNTFSABL-UHFFFAOYSA-N 407.496 0.489 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC=C)[C@H](C)c2cccc(-n3cnnn3)c2)C1=O 595986342 BMUUIKACIQEKEU-CQSZACIVSA-N 423.433 0.715 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3ccnn3)CC2)c1 604207645 NFDBGRSFKGRHGH-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 615104727 WQYFLFOEEZPWME-AWEZNQCLSA-N 422.511 0.110 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCCNS(=O)(=O)CC)ccc1F 726771176 FLIAFSDKCPDDQE-UHFFFAOYSA-N 407.489 0.349 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 728953882 FLLHUXMYHWCHQO-QGZVFWFLSA-N 417.510 0.957 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 729256545 AYKCUKSNEDBEKW-UHFFFAOYSA-N 418.450 0.899 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 729281638 LLSQEQTZWCPQAV-UHFFFAOYSA-N 411.437 0.269 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 729282162 YXYWEPDVBBMUKU-OAHLLOKOSA-N 418.444 0.601 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 731127244 AJDCVLNDCJTSKN-HXUWFJFHSA-N 403.504 0.961 30 20 HCED COc1cccc([C@H](O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 732294165 HTBHIHAODVJHIK-MRXNPFEDSA-N 403.460 0.974 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 742908094 SXZNKIWQFZSUMC-DYVFJYSZSA-N 415.475 0.255 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 747741660 JKGPZSNYNJXOTF-JOCHJYFZSA-N 408.458 0.368 30 20 HCED CCOC(=O)NCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 751565342 VCSHKFBUGJNACZ-UHFFFAOYSA-N 408.480 0.917 30 20 HCED COc1cccc(CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C2CC2)c1 752735565 PUKHHQOSJBXLQD-UHFFFAOYSA-N 406.464 0.380 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1F 753167182 PHWTVAGMHUGVEA-IBOXJLQUSA-N 401.398 0.535 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 755495621 ZWEYJCCHOGAGLN-OAHLLOKOSA-N 422.507 0.929 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 758321211 PYIKCJWCZIBPKG-TZMCWYRMSA-N 415.516 0.469 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O 759231308 LKKOCHBFWPXPOY-LBPRGKRZSA-N 424.417 0.843 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 765799824 HJEIZDJUEVNSEU-UHFFFAOYSA-N 411.393 0.746 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 770765071 MGOXKWHUMFRSPG-UHFFFAOYSA-N 408.524 0.484 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771581966 IBPXKAZEPFAGAI-RBZFPXEDSA-N 416.434 0.324 30 20 HCED C#C[C@H](NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12)[C@H]1CCCO1 775343670 ZHWGWTMUOWQTDB-NWDGAFQWSA-N 404.500 0.194 30 20 HCED O=C(O)C[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 776641235 ZEAZSKIULZAHNI-AWEZNQCLSA-N 423.491 0.988 30 20 HCED COC(=O)C[C@@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 776940835 WMGHMUHRLMPDLJ-LJQANCHMSA-N 416.459 0.715 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)ccc1F 781449334 AROCVNJMXHKPRV-DZGCQCFKSA-N 400.428 0.429 30 20 HCED COC[C@@H](C#N)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 784933739 IQXSXPPLTYJTQD-PWSUYJOCSA-N 407.242 0.170 30 20 HCED CS(=O)(=O)CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1 785114117 APAHLBHVMOHAJW-UHFFFAOYSA-N 419.438 0.857 30 20 HCED C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(C#N)nc2)CC1 791052228 UEWHMMYXUZKWGA-QGZVFWFLSA-N 406.494 0.603 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cscc2Br)c(=O)n(C)c1=O 794923667 REEGGFORXNXVIZ-UHFFFAOYSA-N 407.271 0.220 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 799082712 KWIAGKAYAFRSFA-GDBMZVCRSA-N 409.464 0.886 30 20 HCED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 799270678 DAUJTWHPTUPOQI-CYBMUJFWSA-N 416.521 0.914 30 20 HCED C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 800056540 XDNBKTPBCMWTTH-MELADBBJSA-N 418.516 0.806 30 20 HCED C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC)CC1 801950373 YUFILFFEBMGSBE-UHFFFAOYSA-N 402.524 0.971 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)c(F)c1 802551367 SIPLRXRLYIJIAR-UHFFFAOYSA-N 403.389 0.786 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1=O 804265127 HWDDQWODTBOSDG-GJZGRUSLSA-N 408.499 0.747 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)OCCOC2(C#N)CCOCC2)c1=O 809085322 VNQZWZNCVIJNPA-UHFFFAOYSA-N 401.419 0.816 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)CCN1C1CC1 810364273 RULKWXBVPRMWKR-ZDUSSCGKSA-N 421.404 0.567 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 815556928 IQLOZPDVJNGDHT-UHFFFAOYSA-N 400.254 0.976 30 20 HCED C#CC[C@@]1(C(=O)NCCCn2c(=O)ccn(C)c2=O)CCCN1C(=O)OC(C)(C)C 816379706 UNMODYXLUYYLIC-NRFANRHFSA-N 418.494 0.846 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(C#N)cc4)CC3)ncnc21 823283104 LXLWLNLGEFMQPS-UHFFFAOYSA-N 405.418 0.741 30 20 HCED CC(C)(C)NS(=O)(=O)CC/N=C1/NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 849087134 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VQZNLFXDGAWOJT-WBVHZDCISA-N 419.400 0.450 30 20 HCED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)CCc3ccc(C#N)cc3)C2)CC1 1841006186 YTUYWFAHPDGABT-UHFFFAOYSA-N 409.534 0.942 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)CC(N)=O)C1 1841660195 IUTTXWQZNKAUTL-HUUCEWRRSA-N 420.510 0.618 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2cn3nc(C)sc3n2)C1 1841785678 PZCXMNDYPPKRGQ-CYBMUJFWSA-N 401.492 0.883 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1845221155 FNBSYEQCIZLLQK-HZPDHXFCSA-N 423.510 0.504 30 20 HCED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2)c1ccc(O)cc1 1846416254 PCCDGHHSWZUVFW-MRXNPFEDSA-N 408.458 0.969 30 20 HCED CCCCn1c(N)c(N(CCOC)CC(=O)Nc2sccc2C#N)c(=O)[nH]c1=O 10565826 CBKUHYUONDWLTG-UHFFFAOYSA-N 420.495 0.944 30 20 HCED CC(=O)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 10825716 GFANPDMALZZEEB-LJQANCHMSA-N 406.508 0.594 30 20 HCED CCn1c(Cn2cnc(C#N)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 14143869 DBSZKIXIHFAPLV-UHFFFAOYSA-N 401.452 0.589 30 20 HCED CNC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 47896155 IRJPRSOLKMYLIT-GOSISDBHSA-N 400.460 0.782 30 20 HCED Cn1c(N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(C#N)c(=O)n(C)c1=O 301060975 AABHRTBDSVVENE-UHFFFAOYSA-N 401.430 0.702 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 409539967 ZUPYJGQFLGJOIF-AWEZNQCLSA-N 411.509 0.201 30 20 HCED C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 430231718 ZEJLKDGZZXMBEM-AAEUAGOBSA-N 414.853 1.448 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CC1 430719795 KSBXTKDACLZOSW-ZIAGYGMSSA-N 402.442 0.099 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 437760936 RENTVLXKUWUZDH-RHSMWYFYSA-N 411.528 0.854 30 20 HCED Cc1cccc(N(CCC#N)C(=O)CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C 438669005 QHAYKJCKMYUQJN-KRWDZBQOSA-N 420.535 0.785 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2occc2C)c1=O 440383333 NIGVIIUYJJXGQV-UHFFFAOYSA-N 412.515 0.664 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC2(CCOCC2)O1 448317980 LPQHKMPGKPRWCB-OAHLLOKOSA-N 424.461 0.933 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOCC2(CCOCC2)C1 460661266 XHOYYXWVLYYSGY-UHFFFAOYSA-N 424.461 1.042 30 20 HCED CC[C@@H](NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H](O)C(F)(F)F 460721373 WKUDCFFIFBWTIW-DGCLKSJQSA-N 410.356 1.204 30 20 HCED COc1cc(CNC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)ccc1C#N 462481919 TYWGXVDMYDBYEP-INIZCTEOSA-N 415.494 0.641 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(CS(N)(=O)=O)c1 465118547 FMNIQHXMXMFQKX-CYBMUJFWSA-N 400.464 0.488 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)n1cnc(C#N)n1 466946892 PKIPTHAUGZBZSV-GFCCVEGCSA-N 419.423 0.152 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467068413 KNJKVHLNCDJEPS-UHFFFAOYSA-N 415.450 0.362 30 20 HCED C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)NC[C@H]1CCS(=O)(=O)C1 467136576 BGABTUUEQUNFHW-VHSXEESVSA-N 421.447 0.054 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O 471057203 VTGCEPNYUHGHBH-MRXNPFEDSA-N 411.462 0.945 30 20 HCED CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472894370 NNBLFNJDGBSGKG-UHFFFAOYSA-N 409.450 0.846 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)COCC3CC3)CC2)cc1 480105891 MWYGOIHWSDBXCJ-SFHVURJKSA-N 421.519 0.863 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 486249385 IWGOCYDYAVGQIB-IBGZPJMESA-N 421.505 0.921 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)NC3CC3)C2=O)cc1 487367807 SNXSOLCWVAZBIE-MRXNPFEDSA-N 405.480 0.040 30 20 HCED COC(=O)C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 488247398 JGIMYSQFMDCPEN-SJORKVTESA-N 400.435 0.633 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 490341583 ICCWGVKIHXJALM-ZDUSSCGKSA-N 424.523 0.851 30 20 HCED COC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 494400815 YCCJGINCURDQJU-UHFFFAOYSA-N 402.270 0.800 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCN3CCC[C@@H]3C(N)=O)C2=O)cc1 503934860 CJACQUKJAXYDSN-ZWKOTPCHSA-N 412.494 0.693 30 20 HCED Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCO[C@H](C#N)C1 507862278 JRGIJJQTJWGWMD-OAHLLOKOSA-N 418.479 0.232 30 20 HCED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)C(=O)Nc1ccc(C#N)cc1F)C2 508323487 VYTQTKQTDUZVMH-GJZGRUSLSA-N 401.442 0.836 30 20 HCED Cn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCO[C@H](C#N)C1 508536291 YIZIQURALREPJF-OAHLLOKOSA-N 402.480 0.995 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508803457 XRRKPSTZHAMUDU-AWEZNQCLSA-N 414.470 0.920 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 509415974 OBICHYULXYNKOL-HNNXBMFYSA-N 421.589 0.592 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Cn2ccnn2)CC1 510985058 LSYYVYMGNHKKQE-AWEZNQCLSA-N 402.480 0.755 30 20 HCED CC[C@H](NC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCOCC1 514018235 QHEHAPXNCQOJIY-HTZUNMPGSA-N 411.462 0.679 30 20 HCED COc1ccc(CC(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 517994083 GVAUMYXLXUFRBK-OAHLLOKOSA-N 409.464 0.010 30 20 HCED CCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCS(=O)(=O)C1 521264609 GVTCTFDZGMFGBC-OAHLLOKOSA-N 413.521 0.836 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)C1=O 525049513 XVNKXNXLOFMRKH-INIZCTEOSA-N 413.478 0.290 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)NC1CCCCC1 535672201 OWIIYFAEGLLWFG-CQSZACIVSA-N 421.523 0.973 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1 541562170 ZMLVRWOBNLGWCQ-UHFFFAOYSA-N 422.484 0.878 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 555025668 AVFLVDQKWKYJAU-UHFFFAOYSA-N 412.443 0.146 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CC2 561573818 DKPBIZCIOAFZTK-IBGZPJMESA-N 421.505 0.481 30 20 HCED CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 568114590 GSGJGTIJQWMGQM-UHFFFAOYSA-N 420.473 0.620 30 20 HCED CCNC(=O)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 573606610 BXGMQFRRPFQATJ-UHFFFAOYSA-N 415.469 0.769 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2cccc(F)c2)cc1 579414321 MCYGLGVHFBCSOP-UHFFFAOYSA-N 418.450 0.912 30 20 HCED CCC[C@]1(CO)CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 583106838 UNQYRCMHWBBDFK-PGRDOPGGSA-N 412.490 0.929 30 20 HCED Cc1cc(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n[nH]1 588200571 PDVYNXPZSFCCBC-UHFFFAOYSA-N 409.406 0.803 30 20 HCED CN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(C2CC2)C1 588868714 QWSIZWLUSZDXCT-RTBURBONSA-N 409.490 0.470 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(CC#N)CC2)cc1 609329411 KNDRPRPYISKINA-UHFFFAOYSA-N 407.496 0.370 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 609992354 HJZXGCJSFUEOBH-UHFFFAOYSA-N 403.395 0.402 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1-n1cncn1 610700783 UIONORNTGFZVGM-AWEZNQCLSA-N 417.433 0.605 30 20 HCED COc1cc([C@H](C#N)NC(=O)[C@H]2CCCN2C(=O)CNC(C)=O)cc(OC)c1OC 611250102 XSCSWXVQGPEGCY-LSDHHAIUSA-N 418.450 0.520 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1F 729672899 NPMRTCMPPVPODX-UHFFFAOYSA-N 407.448 0.129 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 730104419 UGJLKOJVWGGTGS-SFHVURJKSA-N 418.519 0.609 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1cccc(C)c1 743725747 YRSCCEAYYLRYAQ-UHFFFAOYSA-N 423.498 0.299 30 20 HCED C#CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 746457085 WPROCMWEKGAZBJ-UHFFFAOYSA-N 421.519 0.636 30 20 HCED C#CCN1CCN(C(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1 749874933 RXWUPLVRUAJLDI-UHFFFAOYSA-N 414.325 0.993 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 761032491 IRIJDMJRXQGJBS-UHFFFAOYSA-N 409.468 0.317 30 20 HCED C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C(=O)N1CCCCC1 762727076 PWNBESZSPQHKCO-QKKBWIMNSA-N 411.462 0.842 30 20 HCED C#CCN(CC)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 764513340 HZYWPJUCPHCLSW-GSPCDJLXSA-N 412.533 0.862 30 20 HCED N#Cc1c2c(cn(CN3CCN(S(=O)(=O)Cc4ccon4)CC3)c1=O)CCC2 766637060 MAFDIKGSWVESAT-UHFFFAOYSA-N 403.464 0.302 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 766977794 MFGRBPYNZJAFDU-SYWGBEHUSA-N 415.427 0.179 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1=O 772830163 WWXIXWPEKDWYBO-FUHWJXTLSA-N 401.511 0.450 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)[C@H]1CCCO1 773788786 KGIBIGIKFGJODM-RRQGHBQHSA-N 410.434 0.713 30 20 HCED C#C[C@H](NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775793717 NDLBIYHEORYGDW-ROUUACIJSA-N 421.519 0.725 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCCO1 775797251 CANCHKGKJJTGKM-RTBURBONSA-N 421.519 0.299 30 20 HCED CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 779369670 XGELDPXSKZIKFK-YRKBZEGTSA-N 412.490 0.998 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 782988213 YUTRHIAIEJTVRU-UHFFFAOYSA-N 424.566 0.596 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(CCN2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 783478916 GOVAYCRSHYMALC-IBGZPJMESA-N 417.531 0.912 30 20 HCED C[C@H](O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789783009 STZAJZROOSIJSM-JPDJOPTESA-N 410.496 0.715 30 20 HCED C[C@H](O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 793871475 GPPXUJDPCXOPMF-CABCVRRESA-N 408.524 0.419 30 20 HCED CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796714718 QYQRZKJJBGGIMD-OCCSQVGLSA-N 413.496 0.598 30 20 HCED Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 799254844 IJGCUCAZPRZESK-HNENSFHCSA-N 422.445 0.977 30 20 HCED CCCCCCCS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 799758871 BVDIFEJKURMPNB-UHFFFAOYSA-N 410.606 0.396 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC 800932656 RXIRECSUMIUTHP-UHFFFAOYSA-N 410.412 0.592 30 20 HCED C#CCCS(=O)(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 808292220 AHODARFMHALFDI-UHFFFAOYSA-N 400.478 0.136 30 20 HCED 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VTFKJZFSXVEPFS-OAQYLSRUSA-N 418.494 0.964 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cnn4c3OCCC4)CC2)CC1 1834400660 OZWAFJALZSNWFV-UHFFFAOYSA-N 400.483 0.764 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CN4CCCCC4=O)CC3)CC2)CC1 1834603658 OEHWTOVCEOZNPJ-UHFFFAOYSA-N 415.538 0.874 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(Cl)cccn34)C2)C1 1834758475 OGNXRHIZVVLZRP-LJQANCHMSA-N 417.853 0.971 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4ccc(O)cc4)C3)C2)CC1 1835339128 GUGSDEPLAJNDOI-OAQYLSRUSA-N 415.446 0.531 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CSc4ccncc4)C3)C2)CC1 1835341054 NICQOZCRYVIGOG-FQEVSTJZSA-N 416.503 0.934 30 20 HCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cn1 1835344518 JLGANYHGTTZDIO-OAQYLSRUSA-N 413.478 0.521 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1835364253 NXKPTSRSSACXIN-QRWLVFNGSA-N 401.467 0.275 30 20 HCED CC(C)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680209 DXPHENHETQIHNU-IRUYWQDXSA-N 406.527 0.937 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837902286 QJMMOHRPDZKZCU-YWZLYKJASA-N 405.426 0.329 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)nn1 1838346429 TTXUTXVTYQDATB-IBGZPJMESA-N 403.439 0.105 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838425220 DXSWEMRVYILQIP-OAHLLOKOSA-N 421.494 0.378 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3OC)CCO2)C1 1838874500 KZZCFTAJNXZKJO-VGOFRKELSA-N 416.474 0.804 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)c1 1838906644 WVNIQPQKEYMJTR-QFIPXVFZSA-N 422.441 0.575 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)cc1 1838950320 IXYJSQUYLMQMCS-JOCHJYFZSA-N 423.473 0.984 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1839029167 SNVSPWBPLHAFOL-HXUWFJFHSA-N 418.425 0.524 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085044 UOSIEXMEHUZQSS-WWMYMODYSA-N 405.495 0.420 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186287 KPCZUBDTJZVSCF-VFNWGFHPSA-N 418.469 0.291 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1839809909 SESGTVMVLXXOQF-IBGZPJMESA-N 406.460 0.167 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1)C(F)(F)F 1839890977 FCXJHIVOZHQZMJ-YOEHRIQHSA-N 418.368 0.888 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1840160319 DSWIOILTRNULMU-KZULUSFZSA-N 406.464 0.611 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO3)C2)C1 1840176886 KALDUWTVURYPQU-VQTJNVASSA-N 410.467 0.025 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1840291485 QPHOVNLJPMWYAO-LAUBAEHRSA-N 405.495 0.163 30 20 HCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC3(CCCN3C(=O)C(O)O)C2)CC1 1841236184 YUFZRFPSUSYBCI-UHFFFAOYSA-N 422.482 0.041 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@H](C(=O)OC)C2)C1 1841340065 QTQZOFSRGMOBAE-KTYGHDLGSA-N 403.479 0.638 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1841625246 VZZUNCUSPBGUCS-OAHLLOKOSA-N 403.570 0.570 30 20 HCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197515 YPPJKWCQBCKIJX-QGZVFWFLSA-N 415.421 0.164 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CNCP(=O)(O)O)c1 1847470528 SUXVSOASRPYNBJ-IRXDYDNUSA-N 420.406 0.417 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2cccnn12 1847806991 KJVQOVZYMCYROR-HOTGVXAUSA-N 411.462 0.888 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 27399098 DUNBFQSZHMZGOH-UHFFFAOYSA-N 408.461 0.778 30 20 HCED COCCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccc(C#N)cc1 63753748 HIBPKFHDDWDBOD-UHFFFAOYSA-N 401.511 0.239 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCC/N=C(\N)N1CCN(C(=O)OC(C)(C)C)CC1 303975037 IMAWVZXWABRZCS-INIZCTEOSA-N 410.563 0.797 30 20 HCED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)C1=O 410309162 SKKDWHBXFCTFRJ-OAHLLOKOSA-N 424.479 0.697 30 20 HCED Cc1cc(NC(=O)CN2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)no1 433345287 WPHVFEKKUGPCJO-OAHLLOKOSA-N 414.491 1.278 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 435055468 IOJVEWWNNPCUGV-RDJZCZTQSA-N 417.535 0.590 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 435635436 HKSGOFDFKAKKFH-UHFFFAOYSA-N 423.404 0.524 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 447455561 YMJRTKZCTIFBLQ-HOTGVXAUSA-N 405.451 0.768 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(CC(=O)NC(C)C)CC1 462106739 YXQPPPWENKXGBR-UHFFFAOYSA-N 410.482 1.122 30 20 HCED CNS(=O)(=O)NC1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 463209116 ZLHJTNIFKDKJBQ-OAHLLOKOSA-N 423.539 0.849 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466108820 SFDMKTVHWULOBV-KRWDZBQOSA-N 415.494 0.512 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(-c3cccc(C#N)c3)no1)C2 468919237 JUDLKIPGQYLMBD-UHFFFAOYSA-N 421.417 0.316 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)o1 480964038 UBHLREAYXAJINY-UHFFFAOYSA-N 410.455 0.973 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)cn1C 484561532 FVKLNHNZWVFDNM-UHFFFAOYSA-N 416.463 0.072 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)CO)c2)c1 485027347 NOLRCSSHSBXDCP-JOCHJYFZSA-N 410.426 0.671 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)cn1 497721730 UXPGYRRZNBFMCK-KRWDZBQOSA-N 422.493 0.121 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 498571730 RWKYRTMCMSFQQE-GOSISDBHSA-N 400.527 0.927 30 20 HCED CN(C[C@@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1)S(C)(=O)=O 506716401 BWQBFUSKDXYYFF-HNNXBMFYSA-N 404.492 0.577 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)C3CN(C(=O)C4CCCC4)C3)CC2)nc1 513158594 GDMSUIDHBCTKTI-UHFFFAOYSA-N 403.508 0.806 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 516699756 MLUQBIDWFKHYLX-UHFFFAOYSA-N 410.482 0.570 30 20 HCED N#Cc1ccc(OCc2ccc(C(=O)NCC(=O)NCCN3CCOCC3)o2)cc1 518428500 UAZVLTODAXNTTO-UHFFFAOYSA-N 412.446 0.908 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C)ccc3C)c2=O)cn1 522384063 GFBPCORPQQPKJD-UHFFFAOYSA-N 407.499 0.981 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCOCC1 540279480 IDXAMRSDBBTBLO-AWEZNQCLSA-N 405.455 0.780 30 20 HCED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 542067054 HIEKRDJUHPUFKQ-UHFFFAOYSA-N 415.410 0.428 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2CC(N)=O)cc1 545194662 GDAIFVMIXAHLRM-UHFFFAOYSA-N 418.478 0.793 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@H](CCC(=O)O)CN2CCOCC2)c(F)c1 547890458 WGFNWDREZRITHE-GFCCVEGCSA-N 403.407 0.680 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C)c1=O 549555703 GOFOOLWQMBDECW-UHFFFAOYSA-N 423.498 0.822 30 20 HCED CCNC(=O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 551733834 LSPDVBBHCQNRPM-INIZCTEOSA-N 423.477 1.293 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)C1=O 553558298 UBIONYZAVKAEQA-MRXNPFEDSA-N 415.537 0.782 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1Br 556131517 VIKXVUAFDGALHN-NSHDSACASA-N 415.269 0.539 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC 562770524 DLILOHYEFYDMDD-UHFFFAOYSA-N 423.473 0.978 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)C1=O 578086672 JVSQXFLJWASRCZ-XJKSGUPXSA-N 401.463 0.880 30 20 HCED CCOC(=O)Cc1nnc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 579062622 SXXYSGDKXGGHED-UHFFFAOYSA-N 409.449 0.432 30 20 HCED CC(C)NC(=O)Nc1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 585727985 GWDZHRXODXKYSN-UHFFFAOYSA-N 400.483 0.937 30 20 HCED COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 586848236 IIECRUOAUHNRFF-UHFFFAOYSA-N 408.462 0.939 30 20 HCED COc1cc(C)c(CN2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)cc1OC 603561411 WBCNNNPXKOQVBT-UHFFFAOYSA-N 423.477 0.879 30 20 HCED Cn1cc(S(=O)(=O)NCCN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 611550709 DYPYKXPKVYYYGE-GOSISDBHSA-N 406.487 0.720 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccn4)c3)CC2)n1 612850147 YRRVPMPNHRPJRN-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cn1 613099447 MQMXHSBEXLOBBI-KRWDZBQOSA-N 409.450 0.401 30 20 HCED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@H]2CCOC2)c1 619858702 QQJRENZFRWYLDP-NVXWUHKLSA-N 421.461 0.000 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 728532706 HPUUYZUTKLZIBO-UHFFFAOYSA-N 405.458 0.841 30 20 HCED C#CCN1CCC[C@@H]1COC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 729810445 YIQZNALMFOFLSU-MRXNPFEDSA-N 405.476 0.062 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 731861250 RHLGJCWEMVQOJC-ZWEDTICHSA-N 404.373 0.960 30 20 HCED Cc1oc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)N1CCCC1 731861525 DVPRKFFPIBZTHM-VLGSPTGOSA-N 422.463 0.629 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C(=O)N2CCOCC2)c1 732420438 RGUKTJFEPLDIOR-ZCXUNETKSA-N 413.434 0.807 30 20 HCED N#C[C@@H](C(=O)COCc1nc2ccccc2s1)C(=O)N1CCS(=O)(=O)CC1 732910248 NBUQYFQPXAAWIT-LBPRGKRZSA-N 407.473 0.779 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742672039 HEKMNHWEYZHWDM-OLZOCXBDSA-N 415.537 0.785 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 745484230 UPPDDFNJKJGYJV-LBEULSOHSA-N 403.416 0.333 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 747993386 JELLZAUCMRQRNE-UHFFFAOYSA-N 400.460 0.657 30 20 HCED C=CC[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccncc1 749724194 GABIERPHMNOSGO-HNNXBMFYSA-N 408.418 0.399 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)n2)CC1 755197029 DEVAZWIJLLNVMM-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COCCn1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 755545538 IKRYKDUOQXUIKC-QWHCGFSZSA-N 406.443 0.343 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 758059807 PBNONPAMLZCXKP-UHFFFAOYSA-N 410.480 0.086 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn(CC)c2)c1=O 758082246 CXXRAABSJKTJHX-CRAIPNDOSA-N 423.542 0.957 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)[nH]c21 762310052 LLOUFDFFVPXORW-AWEZNQCLSA-N 408.418 0.767 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCOC1 763458276 PBNUHLVISKYTRK-INIZCTEOSA-N 414.531 0.704 30 20 HCED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCO[C@@H](C#N)C2)C1=O 771468493 MMDYWDQANXSPSS-GUYCJALGSA-N 421.251 0.967 30 20 HCED CN(C)C(=O)[C@@H]1CN(C(=O)C(F)(F)C(F)F)CCN1C(=O)C(F)(F)C(F)F 771558406 CHIGWBYDPBOEOB-LURJTMIESA-N 413.265 0.915 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 772569371 BUXJTUGTCNVBJD-GOSISDBHSA-N 416.503 0.917 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 773058606 SMBHWPNXNCFEDS-IAGOWNOFSA-N 414.505 0.167 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 773471616 AWCGYEHZJAYZTK-MRXNPFEDSA-N 409.446 0.678 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C 774480540 ARMSYSBHATZQDD-UHFFFAOYSA-N 415.387 0.033 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 775914459 YVTMDTZYXLHRGM-UHFFFAOYSA-N 400.453 0.933 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)O)cc1 779500592 RIBUUDXWIKGZAP-KDOFPFPSSA-N 417.491 0.518 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 780107276 KNYJFEWDURUVDM-QGZVFWFLSA-N 405.476 0.259 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 782134974 ILDAPYYFEJHBLZ-UHFFFAOYSA-N 413.434 0.511 30 20 HCED N#CC1(NC(=O)COC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CCC1 784198982 MIBKAYPFERBPDY-UHFFFAOYSA-N 413.477 0.488 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 786548550 AGAJPEVACAITEW-KRWDZBQOSA-N 413.455 0.893 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)c1C#N 788537108 QXGSQCZXIGORON-IRXDYDNUSA-N 409.450 0.220 30 20 HCED CN(CC(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)S(C)(=O)=O 790838444 FSYLMWYHLGNLGH-UHFFFAOYSA-N 410.271 0.017 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cncs2)c1=O 794613986 PZAFQOLHTFGKMR-ZDUSSCGKSA-N 419.528 0.902 30 20 HCED C#CCNc1nc(N[C@@H](C)CN2CCOCC2)nc(N[C@@H](C)CN2CCOCC2)n1 804354201 IRAPSUULLYFEKD-IRXDYDNUSA-N 418.546 0.182 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)nc1 804737453 RRJIULRNYUAUNQ-UHFFFAOYSA-N 400.483 0.243 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 805909794 HHGLVTMYIXRUIU-UHFFFAOYSA-N 413.521 0.526 30 20 HCED C#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 809540619 DSQISQSSDDAPBH-UHFFFAOYSA-N 419.528 0.822 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(CC(F)(F)F)C1 819878013 DKQFUMBWMAZUCR-NSHDSACASA-N 404.414 0.868 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 831143651 VVDWYWMVFUGOTO-UHFFFAOYSA-N 412.855 0.817 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CCOC 916198239 HTXBHEASHNREIQ-UHFFFAOYSA-N 415.515 0.439 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCOC 916200814 QQPLXGCWVDUGEY-UHFFFAOYSA-N 414.443 0.270 30 20 HCED CCc1ccc(C(=O)[C@H](C#N)C(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 916931804 XZWIKKLWQHULKA-INIZCTEOSA-N 405.476 0.871 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOC 917769229 XLBOUMRXUXOASL-UHFFFAOYSA-N 415.519 0.313 30 20 HCED COC(=O)[C@]1(F)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1116223774 DLLXYLLPORXRKO-LIRRHRJNSA-N 402.382 0.877 30 20 HCED N#CC[C@]1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1163163748 YGAJRXNDQMIZNH-KUHUBIRLSA-N 419.459 0.501 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 1251919053 LTJZTLUZMNLFLW-CYBMUJFWSA-N 402.480 0.244 30 20 HCED COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nncn2C)cc1 1300127465 PKTFBIXQJMIFTE-QGZVFWFLSA-N 408.466 0.977 30 20 HCED COC(=O)[C@@H]1CN(C)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1312625783 KJQNBTNSIKFLKN-QZTJIDSGSA-N 413.478 0.405 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@H]1C[C@@H]1C 1316102477 WFLPDSSIZHQEKW-KKUMJFAQSA-N 412.516 0.558 30 20 HCED CC(=O)N1CCc2ccc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc21 1318555125 MWDVHCWHEVAJII-ZCXUNETKSA-N 404.448 0.400 30 20 HCED C=CC[C@@H](NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)O 1321657031 AFOGNCIJFNNZIU-MRXNPFEDSA-N 423.491 0.445 30 20 HCED CO[C@@]1(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS(=O)(=O)C1 1352388372 KDAXPIHSNSQFKY-FQEVSTJZSA-N 414.487 0.959 30 20 HCED CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1 1475597580 UEYPNLOPRMMAQN-UHFFFAOYSA-N 414.553 0.736 30 20 HCED CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1513762993 JFWREFHAUWNREJ-ZDUSSCGKSA-N 416.486 0.498 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1513975674 SBKHGXCJHCZEAZ-OAHLLOKOSA-N 417.495 0.081 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1555993452 OLLVALRJICXWBG-ROUUACIJSA-N 410.478 0.870 30 20 HCED Cc1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)sc2ccc(C#N)cc12 1558920680 KSLSFPYKJAIYPS-JKSUJKDBSA-N 419.528 0.997 30 20 HCED COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1cc(C#N)c(SC)nc1O 1570121997 XDOZBMDJRVFXIV-JOYOIKCWSA-N 424.504 0.964 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@@](O)(CC#N)C1)n2C 1627463833 GZQACHCQTSZPDK-IBGZPJMESA-N 419.507 0.633 30 20 HCED COC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)n1 1639264785 PWLNLBNAEDPIRD-ZIAGYGMSSA-N 423.495 0.216 30 20 HCED COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1645478713 WEOIAMDPNSTMNV-QGZVFWFLSA-N 419.434 0.876 30 20 HCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1707952039 RHJKBTMDQCPSQD-HNNXBMFYSA-N 423.477 0.342 30 20 HCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CCO1 1708176994 JIQIFNZMECVLJG-CQSZACIVSA-N 404.496 0.933 30 20 HCED CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729609890 PRGXYAHWQGRQPN-OAHLLOKOSA-N 416.530 0.365 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCOCC2)C1 1731183782 VXJNEPHKHLEVON-HXUWFJFHSA-N 413.457 0.988 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncn(-c2ccccc2)n1 1741679631 YVPSDOFQORJLCV-INIZCTEOSA-N 421.465 0.774 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOC[C@H]1C 1741904827 PTRXFQRCPJJAJF-KFWWJZLASA-N 413.548 0.347 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)CC1 1741988668 UDWGLEWQQIDBDY-HUUCEWRRSA-N 409.512 0.726 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCS(C)(=O)=O 1751209151 YNYCISFHHDATEL-NEPJUHHUSA-N 406.534 0.061 30 20 HCED CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1768115636 PHUAPJOMQCZBBN-QLFBSQMISA-N 411.528 0.970 30 20 HCED Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCN2CCCS2(=O)=O)cn1 1769001355 HHUIFBQVNIQTHT-UHFFFAOYSA-N 418.527 0.844 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOC2=O)C1 1770732484 YWHQQWJYRRTQQO-GOSISDBHSA-N 405.434 0.685 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1778593979 DKJCRDOIBBSKRK-FQEVSTJZSA-N 405.418 0.686 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4ncccn34)CCO2)C1 1778972125 POCKZEHXAYRREV-KKSFZXQISA-N 413.478 0.746 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1778976917 VOVILLDIIMALGO-FZKQIMNGSA-N 400.497 0.207 30 20 HCED Cn1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779064208 APDBOWTYLDKQRI-QFIPXVFZSA-N 414.506 0.491 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1779102047 WFWZXWZUFOLTTB-CHYCHQIZSA-N 403.439 0.449 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)[nH]2)C1 1779780452 OBNLQUDJQGNMRS-BXTJHSDWSA-N 406.483 0.816 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780250464 SYXNASQUAJFOBD-KKHYBRAUSA-N 400.435 0.089 30 20 HCED Cc1cc(C#N)cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)c1 1781150009 SRZVTWRAPKCXNL-WIYYLYMNSA-N 423.477 0.681 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1781264523 ITSVUTPQFXXINF-OAQYLSRUSA-N 407.511 0.668 30 20 HCED 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HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3occc3C)c2=O)cn1 440388970 HBEGRHBXSJRFKZ-UHFFFAOYSA-N 422.466 0.986 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cn1 461747673 IDBOCGYBGAHIFZ-UHFFFAOYSA-N 410.415 0.650 30 20 HCED C[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1 462118382 VUJDOHNCJKQMRY-QAPCUYQASA-N 418.519 0.109 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 474253795 NYVFGSSMGCRDOC-VQTJNVASSA-N 423.517 0.814 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(CCCOc3cccc(C#N)c3)CC2)CC1 477157182 PMAMZBAMUCJWMR-UHFFFAOYSA-N 407.540 0.437 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 479097273 HXCGJSDUKSCSSX-UHFFFAOYSA-N 407.430 0.956 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1 479469807 QKSRQKPZWJXUME-UHFFFAOYSA-N 423.473 0.978 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H](C)CS(C)(=O)=O)c(C#N)cn1CCOC 481388706 SHAOUTGHONQIMY-NSHDSACASA-N 400.457 0.737 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sccc2OC)c1=O 481580432 JXDICOGEWFODOL-UHFFFAOYSA-N 405.501 0.432 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCc4n[nH]cc4C3)CC2)cc1 482668889 HDCSFSLQAGAGHQ-MRXNPFEDSA-N 414.491 0.855 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC1 488204450 RGNPRGYZNKUYQB-KRWDZBQOSA-N 401.577 0.979 30 20 HCED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 499337242 KJQKBKWVSOOQKM-UZLBHIALSA-N 405.499 0.562 30 20 HCED C=CCN1CC[C@H](N2CCN([C@@H]3CCN(CC=C)C3=O)[C@@H](c3cnn(C)c3)C2)C1=O 499616498 BBNCLCDCEIHYNL-XUVXKRRUSA-N 412.538 0.653 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 503216856 CJHIBFZMKNPLBQ-UHFFFAOYSA-N 410.521 0.469 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2c(C)cnn2C)c1=O 505659821 KKVOGDDQFBIENR-CQSZACIVSA-N 415.519 0.160 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 508077533 CLSNTDINDHTEKH-UHFFFAOYSA-N 414.466 0.940 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)C1=O 519127438 AVAXKIMPEFWYJI-GJZGRUSLSA-N 406.483 0.311 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)C1=O 522986290 AQLCOVSXJMDCPG-KRWDZBQOSA-N 414.462 0.461 30 20 HCED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 523002463 MRSFJYAREZNVNX-UHFFFAOYSA-N 414.487 0.866 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCOC2)cc1 523065273 AJLATZAPEBEOGE-AEFFLSMTSA-N 401.463 0.953 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 537520294 TXSDCTNRWUQZLE-OKILXGFUSA-N 410.496 0.908 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541083313 GNJYXANGAAURMS-UHFFFAOYSA-N 422.488 0.555 30 20 HCED C[C@@H](C#N)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 541575381 VAOJGOBETQQLLG-GXFFZTMASA-N 420.413 0.894 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCOc3ccccc32)CC1 552547075 BYACONHFFIKTDI-KRWDZBQOSA-N 400.479 0.463 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccccc3OC)CC2)CC1 552666838 UASXRFQMXSBRFD-UHFFFAOYSA-N 414.506 0.289 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)nc1 559647064 SZVIIERBVMSETR-UHFFFAOYSA-N 406.446 0.747 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 561889084 AUHYTDLSNGYHSX-AWEZNQCLSA-N 422.507 0.464 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566709382 JPJDLDATRUSKRD-INIZCTEOSA-N 410.496 0.130 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)CC2)c1C#N 566868400 FVSAGFPQYKBCTF-UHFFFAOYSA-N 417.417 0.863 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 571369717 ANZPLVWNHAPDSL-UHFFFAOYSA-N 403.251 0.551 30 20 HCED Cc1cn(-c2cccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2)c(O)n1 575168741 WPMXBAFKMFTBLO-UHFFFAOYSA-N 422.449 1.093 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 579054515 HDTPZLICFWTFRE-OAHLLOKOSA-N 419.507 0.006 30 20 HCED N#Cc1cncc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 582933617 KUANAUGWYXNCJU-UHFFFAOYSA-N 400.464 0.365 30 20 HCED C=CCN1CC[C@@H](Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1=O 584771921 KGGNTXZQQMQEAC-MRXNPFEDSA-N 411.436 0.781 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1 585722271 OPZYHACPXSDLHI-UHFFFAOYSA-N 416.501 0.168 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1 588125994 WBSPUTQIPSRWBC-UHFFFAOYSA-N 403.449 0.871 30 20 HCED C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588127888 SIBWCSZBUUPCOE-ROUUACIJSA-N 404.559 0.108 30 20 HCED N#Cc1cc(N2CC[C@H](CC(N)=O)C2)cc(N2CC[C@@H](CC(N)=O)C2)c1[N+](=O)[O-] 588855940 UWNSRKDOLLWAOD-OLZOCXBDSA-N 400.439 0.870 30 20 HCED Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868404 LPPTVMZYDUPIIH-IRXDYDNUSA-N 421.461 0.268 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2nc(N)n[nH]2)CC1 603568370 XWBHKDGZPBJMEO-UHFFFAOYSA-N 400.424 0.947 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc2ccccc2n1CC#N 609161177 MJGWBGPPRNMTGT-HNNXBMFYSA-N 402.476 0.930 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 610636013 VZFBGUMKKRJYLC-VFNWGFHPSA-N 423.477 0.987 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[C@](F)(C#N)C2)c(O)nc1=O 615639521 TYDCUDFBNDOECE-SFHVURJKSA-N 410.450 0.248 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617034468 TUMKOIBPXIUSPJ-SFHVURJKSA-N 413.478 0.596 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H](C)Cc2ccccc2C)C1=O 726043396 TUAJNEWMDWUCKK-AWEZNQCLSA-N 401.419 0.562 30 20 HCED C#CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 728586403 PBACQTYZQBZHHT-UHFFFAOYSA-N 402.407 0.997 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1CCOC 729671497 JBQYRNNVNJZWBX-UHFFFAOYSA-N 419.478 0.269 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 732416270 NYFPBRQCLLFWQU-WUKNDPDISA-N 419.463 0.775 30 20 HCED C#CCN1CCC(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 735015258 ZDJNHTWXCPWCAZ-UHFFFAOYSA-N 418.563 0.584 30 20 HCED CN1CC[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 737242275 RKTQEXLINUBXPK-PFKVCDDJSA-N 421.523 0.506 30 20 HCED COc1ccc(C(=O)NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741340158 KMDJBQWTESCDRV-ZPHPHTNESA-N 401.375 0.411 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742559457 SGCYYLKBPIIGQT-XNFNUYLZSA-N 409.442 0.617 30 20 HCED CC(C)c1ncc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)s1 758592472 FDWYSCXYKVQLEL-UHFFFAOYSA-N 423.545 0.066 30 20 HCED C[C@H](CC(=O)NC(C)(C)CS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 760122614 FTQVKMJTENANTK-LLVKDONJSA-N 401.510 0.443 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 766986058 MGCUQCLLPIUSPM-BXKDBHETSA-N 405.354 0.829 30 20 HCED C#C[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCO1 773052195 QBPFUNPVTBZINH-HZPDHXFCSA-N 404.485 0.546 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NCC(F)(F)F)C(=O)N2CC(=O)NC)cn1 783007695 YJSZQNJQSSDTEQ-SNVBAGLBSA-N 420.417 0.649 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 783617531 FFFVUIZAEFQJLB-UHFFFAOYSA-N 406.482 0.406 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC 783617925 IVSLCMKWYBNJKS-UHFFFAOYSA-N 406.464 0.725 30 20 HCED C#CCOCCNC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 784606838 UCWOLNICXNPISC-UHFFFAOYSA-N 416.503 0.922 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc(C(N)=O)cc2)c1=O 794616873 PMYQAPKHWCXYAI-UHFFFAOYSA-N 404.455 0.802 30 20 HCED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ccc(C#N)cc1 798248116 PFOBFNBWKKDMNV-FQEVSTJZSA-N 416.441 0.944 30 20 HCED C#CCC[C@H](O)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 798487709 XGVRCVHLUCMMAL-VIFPVBQESA-N 403.254 0.833 30 20 HCED NS(=O)(=O)c1cc(Cl)cc(COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 798624881 MFRCQHLFMVNSJV-NXVVXOECSA-N 413.839 0.947 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCc2ccccn2)cc1 805957003 DKQFXAQVQAXDKM-CQSZACIVSA-N 401.444 0.855 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1 807350676 TUHGEDZUTNNPRS-WMLDXEAASA-N 407.492 0.861 30 20 HCED COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 807831309 CCCNJAWLRPBOEV-CYBMUJFWSA-N 402.455 0.464 30 20 HCED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812074083 QLIRYOLXTYWTDT-AWEZNQCLSA-N 418.479 0.199 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnn(CC(F)F)c2)CC1 814223271 QEHRISXATAGQHU-UHFFFAOYSA-N 413.454 0.925 30 20 HCED CC(C)N(CCCNC(=O)COC(=O)c1cc(C#N)cc(N(C)C)c1)S(C)(=O)=O 814572696 HZEDOWKDGJZNKC-UHFFFAOYSA-N 424.523 0.957 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 815830325 YARXWFGAQGGMMV-HNNXBMFYSA-N 401.398 0.724 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)Cn1cc(Br)cn1 816129455 YAGQYMCJYUPAMU-UHFFFAOYSA-N 414.197 0.931 30 20 HCED C#CC[C@@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 816671158 PPFZLJKSTCUISH-HNNXBMFYSA-N 404.492 0.570 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(C)C 914687531 QGEOUBWESUXMDE-WMZOPIPTSA-N 424.567 0.967 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)nc1 915777674 MVYUSPVUCJTHFX-UHFFFAOYSA-N 417.429 0.776 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 916942921 PSYDWCMVCXYSFZ-BSDKJSHOSA-N 424.413 0.621 30 20 HCED CCn1c(CCC(=O)[C@@H](C#N)C(=O)NC)nc2cc(S(=O)(=O)N(C)C)ccc21 917002634 QVUVGWMGKQTTFJ-CYBMUJFWSA-N 405.480 0.694 30 20 HCED CCN1CCN(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C(=O)C1=O 919148137 URDCLKDIHRNPQE-INIZCTEOSA-N 414.462 0.864 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1006475977 JCCNILKZJUQFAU-SUJAAXHWSA-N 404.467 0.110 30 20 HCED CN(C)C(=O)COc1cccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1116175037 VQGWNYGWSPWOPF-FMQUCBEESA-N 400.435 0.686 30 20 HCED N#Cc1ccc(CS(=O)(=O)Cc2nc(Cn3nc4ccccn4c3=O)no2)cc1 1116808848 DAHSGPCGEMQGTF-UHFFFAOYSA-N 410.415 0.914 30 20 HCED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1315118680 QQCSDGRDAKQXMB-UHFFFAOYSA-N 407.438 0.882 30 20 HCED COC(=O)N1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1318129599 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BUWAAMKFCGPBGH-FQEVSTJZSA-N 413.409 0.804 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1839846317 OIQNFUXFMDTFGH-TXPKVOOTSA-N 414.524 0.232 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)CC(N)=O)C2)C1)C(F)(F)F 1839891576 MWQPFGONIOJPST-MEDUHNTESA-N 407.389 0.073 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1)C(F)(F)F 1839892173 XRBWCVYGIMUGTQ-OAHLLOKOSA-N 403.361 0.004 30 20 HCED CCOc1ccsc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040678 SMGIBWUEQFYVOF-LJQANCHMSA-N 422.459 0.305 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1840842847 FJJWYFRNGYVDKQ-JOCHJYFZSA-N 423.473 0.955 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2 1841747413 QHSMLZUGYFNHQF-CYBMUJFWSA-N 419.482 0.535 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)Cn3ccncc3=O)C2)ccc1F 1845767747 AEQKOGOCMNOZTA-UHFFFAOYSA-N 409.421 0.700 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846371522 XQKNZOPEOVQDJR-YJYMSZOUSA-N 413.540 0.880 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)N(C(=O)OC(C)(C)C)C1 1846450080 VMRYWROFOZVEMI-HNNXBMFYSA-N 417.462 0.843 30 20 HCED CC(C)NS(=O)(=O)Cc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 14280759 SHZLAQHOCXXMAX-UHFFFAOYSA-N 405.480 0.396 30 20 HCED CN(C)Cc1nc(C(C)(C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)no1 65758343 RCXWGHBUQYLOOJ-UHFFFAOYSA-N 420.495 0.675 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCOc1ccc(S(C)(=O)=O)cc1 410161260 JFOCELTWSKRQAO-UHFFFAOYSA-N 405.498 0.165 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 427514359 NSJZQNGNXHFZNU-JTQLQIEISA-N 414.388 0.975 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)n2)c1 440401723 XANGNPGXWOXYGL-ZDUSSCGKSA-N 419.488 0.900 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)c1C#N 440982800 PZRWBRZTYUMCHB-UHFFFAOYSA-N 402.547 0.458 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)n(C)c1=O 441525905 RWFSZLYJTZRIQR-UHFFFAOYSA-N 422.323 0.843 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2c(F)cccc2Cl)n1 441632753 FZTKOBQGDFYOPW-HNNXBMFYSA-N 418.816 1.227 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442021696 ANRZEAQIVUSZNA-CQSZACIVSA-N 420.385 0.447 30 20 HCED N#Cc1ccc(CN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C2CC2)cc1 442438152 GHEUGTUXIJQCKF-UHFFFAOYSA-N 419.441 0.903 30 20 HCED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 443259770 BDKPVQZJJBZBGJ-MEBBXXQBSA-N 400.826 0.977 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443513339 YSYOLBFXFZZBDG-JQWIXIFHSA-N 402.454 0.463 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(F)c1 446527815 RQRKZGKTJPWLMV-ZIAGYGMSSA-N 409.439 0.831 30 20 HCED COCc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1 461378348 TZBGJCNBEAYCRB-INIZCTEOSA-N 413.499 0.391 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1c(=O)nc(O)c2ccccc21 465135585 ZJLQWWCJIQNHIY-CQSZACIVSA-N 419.445 0.891 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)CC1(C#N)CCCCC1 476541800 WOVMHDVHVXSGSM-AWEZNQCLSA-N 401.485 0.170 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 480812744 ATQHPGGRWIKSBA-CYBMUJFWSA-N 418.397 0.772 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482179945 NRNLLHKLKOPOHS-SJORKVTESA-N 421.567 0.615 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H](CO)[C@@H]2CCOC2)n1 485323232 PDTKYGKQLQCTFF-CHWSQXEVSA-N 401.398 0.583 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](COCC2CC2)C1 485554036 YOHXRFIXJMZGOM-PBHICJAKSA-N 407.492 0.879 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 489101917 MLVKIZYJTUXQKI-UHFFFAOYSA-N 421.505 0.922 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(S(N)(=O)=O)s3)C2=O)cc1 490247998 KWKBIZGKOOENGV-CYBMUJFWSA-N 404.473 0.798 30 20 HCED C=C(C)Cn1c(SCC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)nnc1-c1ccco1 490851483 DFVNZKWUMDLRLR-GFCCVEGCSA-N 416.463 0.969 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)ccc2F)CC1 491046428 HBZKABPWTCJFFQ-UHFFFAOYSA-N 405.430 0.169 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Oc3cnccn3)c2)CC1 491214337 WJYVJSASUJXQCY-UHFFFAOYSA-N 424.461 0.654 30 20 HCED CC[C@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 495224425 MQCMYGOSMVOAOR-IBGZPJMESA-N 406.508 0.238 30 20 HCED C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 503506447 NIIYIYMXIKZCMK-CYBMUJFWSA-N 414.509 0.007 30 20 HCED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 506035622 HXEMWACFYLNQGC-IXDOHACOSA-N 408.499 0.105 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC(=O)N1C 506825229 WQZGPDGSIMYMKT-AWEZNQCLSA-N 411.462 0.897 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(F)(C#N)CC2)cc1[C@]1(C)NC(=O)NC1=O 510371884 BPRFDTNYLUEERG-INIZCTEOSA-N 410.427 0.766 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCOCC 523745102 LSIPDSUEERTIQL-UHFFFAOYSA-N 401.463 0.891 30 20 HCED N#CCc1ccc(NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 524036197 RUAZCIHPQUYLEG-UHFFFAOYSA-N 407.496 0.916 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)n(CCC#N)n1 533318506 NWMGQBWCPHXTCS-QGZVFWFLSA-N 401.515 0.672 30 20 HCED C[C@H](C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 543804646 UKHCXTGMAOCQBR-GFCCVEGCSA-N 407.452 0.193 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 544212998 XLOLEHMLYJNULB-WMLDXEAASA-N 418.450 0.274 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br)C(=O)O 559132231 ILMTZPNOGBVTCJ-NSHDSACASA-N 424.294 0.998 30 20 HCED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 561471078 UHUPQLFKQWVAEU-UHFFFAOYSA-N 414.487 0.996 30 20 HCED COCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1cncc(C#N)c1 570103155 KDHKWQFFRIFPKL-UHFFFAOYSA-N 411.465 0.460 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CCN(C4CC4)C3)C2=O)cc1 572786079 KXVPEWCKVZHBHO-VQIMIIECSA-N 409.490 0.770 30 20 HCED COc1cccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 573939572 XJFQMACTPASUBM-UHFFFAOYSA-N 410.478 0.616 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C)c1=O 575766054 MADSZSYYUOJLHO-CQSZACIVSA-N 416.503 0.179 30 20 HCED Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)CCC2 577654064 HAPVWPWPGCWRLD-INIZCTEOSA-N 407.478 0.801 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1=O 583828112 DJVOBQLVGFYAKM-QGZVFWFLSA-N 414.462 0.925 30 20 HCED COc1ccc(C2(CNC(=O)C(=O)NC3CCN(CC#N)CC3)CCOCC2)cc1 585779009 PUQRKAUFCQQXHC-UHFFFAOYSA-N 414.506 0.964 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2n[nH]c(C3CC3)c2C#N)cc1 588767502 MFTQZFONSUTISI-JTQLQIEISA-N 416.463 1.423 30 20 HCED CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)C1 589402101 ZWIKGCBZMKANGT-MRXNPFEDSA-N 422.493 0.316 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CCOC)cc1 606130641 LZSSSEHVCVXRLM-GOSISDBHSA-N 413.496 0.335 30 20 HCED C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610388116 BYRMYAFIZGKRSE-BRXAQIOASA-N 423.473 0.589 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 612203613 FFPYHLYSQMSKSU-QGZVFWFLSA-N 416.478 0.845 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 729030234 DVWXSVTVTODMFN-UHFFFAOYSA-N 413.455 0.753 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 729241652 UOBBSLMAXKRJKK-HXUWFJFHSA-N 424.417 0.874 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 729766244 LRHGXUYUANLUCS-UHFFFAOYSA-N 412.464 0.274 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732779576 XNMXRUVOLFBKNO-CQSZACIVSA-N 405.524 0.010 30 20 HCED C#CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 733162710 RXAYNEQFKWZNJV-OAHLLOKOSA-N 423.491 0.387 30 20 HCED Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 738860355 KPXSPXPIGXFZAE-ODXCJYRJSA-N 415.450 0.540 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(CC)ns3)CC2)cc1 742909379 IYXVMTQIACKPQA-UHFFFAOYSA-N 419.532 0.974 30 20 HCED COc1ccc(OC)c([C@@H](O)CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)c1 746356936 UPWWETOEVHZZCR-HNNXBMFYSA-N 401.423 0.911 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)[C@@H](C#N)C1 754380826 XAEYUCUSIUGFIZ-JTQLQIEISA-N 400.482 0.981 30 20 HCED Cc1nn(C)c(N2CCOCC2)c1C=NNS(=O)(=O)c1ccccc1[N+](=O)[O-] 755766013 YUCOITMHPAOOTQ-UHFFFAOYSA-N 408.440 0.786 30 20 HCED C#CCOCCC(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 756305704 YBPGSYSTOXBGIL-OAHLLOKOSA-N 424.475 0.618 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 758077382 PIHFZAXQLZMYRN-UHFFFAOYSA-N 415.421 0.183 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)C1 758365223 TZYSDZAABGGIJF-DZGCQCFKSA-N 423.495 0.892 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CC(N)=O 760385041 KVDBFERVBAEVGV-UHFFFAOYSA-N 416.528 0.847 30 20 HCED O=C(NC1CC1)N[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 761022882 AZVUAHZRYFFMMF-CYBMUJFWSA-N 405.480 0.178 30 20 HCED C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 761212431 NULFLMJZVNXUMW-GFCCVEGCSA-N 416.411 0.985 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1C1CC1 761840545 GQOYGJOKAIXADL-UHFFFAOYSA-N 416.528 0.844 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762295826 MUVQNWGVGIIKMD-GUYCJALGSA-N 403.464 0.559 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 769133007 HDNIBZVYGWKHIG-UHFFFAOYSA-N 413.377 0.800 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@](O)(c2ccc(F)cc2)C1)c1cc[nH]n1 772530286 IATWRXUFYKINAM-LJQANCHMSA-N 404.398 0.953 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 773245682 LHQBQWSPMDSSQP-UHFFFAOYSA-N 407.492 0.958 30 20 HCED COCCCN(Cc1nc2ccccc2c(=O)n1CC#N)[C@H]1CCS(=O)(=O)C1 780696531 ASGJLDRZYWIJPR-HNNXBMFYSA-N 404.492 0.946 30 20 HCED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCc1cc(O)n3ncc(C#N)c3n1)C2=O 782324826 HJSIOOJRNKIEKS-WLRWDXFRSA-N 412.406 0.850 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 783482078 UIPXJNIELCZGDA-NSHDSACASA-N 414.867 0.945 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 784823041 QACBMFRZZCDTDI-DLBZAZTESA-N 415.494 0.439 30 20 HCED CC(C)(C#N)CC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 785090008 AWYSNUOEAFSWFE-QGZVFWFLSA-N 415.446 0.980 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 787778762 RCQJFSBLKKFSNR-OAHLLOKOSA-N 401.467 0.525 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(c3ccccn3)CC2)n1 788652552 RBADPWYDVQRDDZ-UHFFFAOYSA-N 424.505 0.672 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)NCC(C)C)c1cc[nH]n1 789965025 BICFRMBMMQBAKV-CYBMUJFWSA-N 411.484 0.367 30 20 HCED C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794306024 JCNDDGCUNJQEBU-KUHUBIRLSA-N 407.492 0.912 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCn2cnc3ccccc3c2=O)c1 795327212 LHULPJANGLFZAK-UHFFFAOYSA-N 412.427 0.790 30 20 HCED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 802445455 ODMKHIJRUGSUMI-UHFFFAOYSA-N 419.511 0.392 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 805062912 URZYFHCXGLNELO-GDBMZVCRSA-N 423.514 0.231 30 20 HCED C#CC[C@@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 809799781 CQOMIFPAWMMVTP-PMACEKPBSA-N 404.467 0.980 30 20 HCED CCN1CCN(c2ccc(NC(=O)Cn3c(=O)c(C#N)cn(CC)c3=O)cc2)CC1 915794641 JCTLPAGOWFHPDT-UHFFFAOYSA-N 410.478 0.682 30 20 HCED CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2cnn(C)c2)c1=O 917780374 FJTYHRHRPSZISG-UHFFFAOYSA-N 408.439 0.778 30 20 HCED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918242775 DQXCJPTXCLGEHM-MLIMZQRQSA-N 423.495 0.079 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccnn2C)c1 918265921 RQMOVHSWIAQIET-CJLVFECKSA-N 418.479 0.488 30 20 HCED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 918475673 ANMMXYAMHKPEEW-UHFFFAOYSA-N 422.445 0.825 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)cc1 920000750 GYQXSXICTAWBNN-NVXWUHKLSA-N 421.519 0.601 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 984145000 UJZZYUCIFUNMCK-HUMWAPLFSA-N 414.462 0.429 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC(=O)NCC(F)(F)F)C2=O)cc1 1116060592 LOFASSFGTHQEGA-LBPRGKRZSA-N 411.340 0.558 30 20 HCED C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C(=O)N1c1cnn(C)c1 1116154911 OAABPMAQPPDUKZ-XUWXXGDYSA-N 406.446 0.955 30 20 HCED CNC(=O)CN1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197337757 NNFJKSLOAKORQC-UHFFFAOYSA-N 415.313 0.809 30 20 HCED COCc1nc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1301213518 XJNGZZBBWBMTFX-AWEZNQCLSA-N 417.495 0.780 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C1 1325356746 LQXCITANLBQESQ-KBPBESRZSA-N 404.471 0.646 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN(CC(N)=O)C(=O)C2)n(Cc2ccccc2)c1C 1460222671 IMGMAUQOAGDSOP-UHFFFAOYSA-N 422.489 0.593 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)[C@@H](C#N)C1 1465696946 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CC(C)(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)c1ccccn1 1782416456 PPSRFPNNJADPJY-VGOFRKELSA-N 413.474 0.961 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C1CCN(c3ccc(F)cn3)CC1)CCO2 1783054122 DJVBAHUIHQYQTK-OAQYLSRUSA-N 400.454 0.900 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1783557324 KPVCCLRFQXITPP-IBGZPJMESA-N 419.365 0.194 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783581885 XQPBTGXWWMYLIC-JXLPSOLYSA-N 403.479 0.242 30 20 HCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)CCO2 1783917989 ZJWHGGVIGFBFKW-XFQAVAEZSA-N 423.510 0.620 30 20 HCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785224602 HSXKWXLJRPEYMP-HSZRJFAPSA-N 421.453 0.973 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4ncnn4c3)[C@H]2C1 1788448730 OMCHUXXDGSYPJO-UBDQQSCGSA-N 413.478 0.914 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@]3(F)CCCCC3(F)F)C[C@@H]21 1791076980 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Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)n2cnnn2)C3)c1 1799803300 KFGLWYWUWJTJJX-NKGKWGDASA-N 409.450 0.318 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO 1800151488 MCWPBNYPXRCDOQ-YYIAUSFCSA-N 423.510 0.550 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(-n3cncn3)c1)C2 1800988140 NKMRNRPRFSGTIK-JJAZEVLHSA-N 401.492 0.789 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cccn1 1801386595 PDAVKWLWKBOWRR-XLMAVXFVSA-N 404.467 0.543 30 20 HCED N#CCCC(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806864466 YBKPKANNICFRFE-HNAYVOBHSA-N 421.461 0.645 30 20 HCED N#CCCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807020980 DQPQNZUPNAEMTB-YOEHRIQHSA-N 409.383 0.116 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc3n(n2)CCC3)[C@@H]1c1cccnc1 1809982948 CYNPFAMTUSPFAS-QRWLVFNGSA-N 407.430 0.632 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3ncccn3n2)n[nH]1 1819035141 XBVWXYKMBDBUII-CQSZACIVSA-N 407.390 0.846 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1819365117 DFMLGJIWLXTGFG-ARLBYUKCSA-N 405.499 0.698 30 20 HCED CN(C)C(=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819897714 AYMRSKRADRFSAV-OKUSHXHXSA-N 423.495 0.672 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612218 PNRNJMBMRYVBTQ-REJLFOLJSA-N 408.524 0.351 30 20 HCED COc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nn1 1825666515 GQSRLFQYZWLJGG-VIFPVBQESA-N 401.404 0.256 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1828875391 GCYFRGFISUECTO-HOCLYGCPSA-N 406.483 0.402 30 20 HCED NC[C@H](N)C(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@H]2CCCCO2)CC1 1828974705 UWTNCEPGWUWTTH-OPVJLNMVSA-N 409.531 0.421 30 20 HCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831210063 YEHPPYHKBZVVRT-UTKZUKDTSA-N 400.479 0.389 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831877077 SEIAGNVMOXPXPK-OXQOHEQNSA-N 421.498 0.599 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](C(=O)OC)CC1)CCO2 1832014074 WPHQKZHOZCQYMA-CBGDNZLLSA-N 408.495 0.998 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832420015 YJRMCIYHKMSISE-QFIPXVFZSA-N 417.506 0.259 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1832454415 NHUBNHAKEBNJSM-HXUWFJFHSA-N 421.519 0.836 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)OC)CC2)CC1 1833115018 FPYBDJKYXVPIHW-SREVYHEPSA-N 420.554 0.841 30 20 HCED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833234525 BNVWVBNDPDZBHX-HXUWFJFHSA-N 410.434 0.071 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCCC3)CC2)CC1 1833463816 AZDUSJSAMUTKAA-SFHVURJKSA-N 404.555 0.692 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CNC(=O)OC)CC2)CC1 1833472658 YEPWDTYJYQMAOW-UHFFFAOYSA-N 424.542 0.897 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 1834007591 QGVARNACACFBNS-OXQOHEQNSA-N 404.467 0.953 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834078520 REFCPKHTOPMVAH-OXQOHEQNSA-N 404.467 0.446 30 20 HCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834857524 OQSFQJKWWMJYHR-HNAYVOBHSA-N 413.471 0.197 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835188948 ZCNMIZFUGGWNHZ-QHCPKHFHSA-N 412.486 0.921 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835349742 USDBALJVPMKRBR-UZLBHIALSA-N 406.483 0.051 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1835354065 LRCBNKXOKYMEAN-OAQYLSRUSA-N 424.461 0.641 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)[nH]1 1835674624 ASUIAAVOSGKCER-HXUWFJFHSA-N 418.498 0.070 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)COC(=O)C(F)(F)F)CC2)CC1 1835687204 BLVXGYVNRGDIMV-UHFFFAOYSA-N 404.389 0.577 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836220178 FFSCDANPUVOKDY-BILBAKPPSA-N 408.499 0.094 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1837392782 HGJRZCJJYGWWDQ-IERDGZPVSA-N 421.469 0.864 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=Cc3ccccc3NC(=O)C1)CCO2 1838444411 GLWXRBAKFPPGQN-JOCHJYFZSA-N 409.442 0.502 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1839224046 MPHCLHKGPVJPAF-MGPUTAFESA-N 420.466 0.658 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1839228958 VARMWTSVEFRJLF-JXFKEZNVSA-N 422.482 0.783 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1840168810 UBJUTYWRIAACPM-GCJKJVERSA-N 415.490 0.669 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840200472 JHROFPFAUIOMRU-XLIONFOSSA-N 412.552 0.750 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840465533 CGZOFVMPRKGSAA-OXQOHEQNSA-N 421.498 0.220 30 20 HCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)cc1 1841005114 RPWROUYTIJBFHO-INIZCTEOSA-N 409.446 0.292 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)O3)C2)c(O)n1 1841648353 HTNWWMADNJCXHK-HNNXBMFYSA-N 400.435 0.831 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnnn2C)C1 1842135135 CAGIGIQTQKOACJ-CQSZACIVSA-N 416.482 0.549 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2 1844253129 XBZDAMQOIPKERN-IBGZPJMESA-N 421.614 0.892 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2)C1 1844927757 YGJKWVGBLDWXGE-AWEZNQCLSA-N 404.492 0.703 30 20 HCED CCCn1c(N)c(C(=O)CN2CCCN(c3ccccc3C#N)CC2)c(=O)[nH]c1=O 52801096 IDLUFVKNBKFWQD-UHFFFAOYSA-N 410.478 0.795 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(C)cc2)CC1 409598106 XCIKETGDLPRDQW-UHFFFAOYSA-N 424.523 0.625 30 20 HCED C=C(C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 427044687 NVRRETZXMDRRAC-AWEZNQCLSA-N 423.491 0.891 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(O)nc1=O 428814436 RVNBKWATFIENLP-CQSZACIVSA-N 412.450 0.790 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1=O 440236805 AQDOPOFOIQOTEV-HNNXBMFYSA-N 402.451 0.581 30 20 HCED C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)CN1CC(=O)N[C@](C)(C#N)C1CC1 441908367 JICWHALFNFSYME-FHTPNYMGSA-N 414.554 0.998 30 20 HCED COCCn1c(N)c(C(=O)CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(O)nc1=O 447908538 BRROBVOQOZNXDP-LIRRHRJNSA-N 405.455 0.287 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c(O)cc21 461613734 MXHBQIMOPDHHBA-UHFFFAOYSA-N 415.431 0.371 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 463608205 BHEPONSQAKQSQP-HNBVOPMISA-N 408.458 0.759 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3COc4ccc(F)cc43)n2)cc1 467862795 LGSIIVAJEQKGNE-MRXNPFEDSA-N 406.377 1.526 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(N2CCNC(=O)C2)ccn1 469553162 ZTHDONWEFLTTJO-UHFFFAOYSA-N 402.418 1.031 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c3OCCC4=O)CC2)c1C#N 472892282 RQZYTJMZSIJCOV-UHFFFAOYSA-N 422.445 0.853 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2nnnn2CC2CC2)n1 473307489 IDKMUAQLGUMZGW-UHFFFAOYSA-N 409.385 0.534 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 473699119 SURSEMRKASPKMJ-RTBURBONSA-N 411.506 0.753 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 481912508 XHCVIKVNDKNELJ-MRVPVSSYSA-N 402.358 0.678 30 20 HCED CN(C)CCCN(CCC#N)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 486768994 DYFDJSUZWMFQDM-GFCCVEGCSA-N 401.455 0.686 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)N2CCOCC2)CC1 497732957 UTNFRZXTVNWXQV-FQEVSTJZSA-N 403.523 0.631 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3c3c(C)n[nH]c3C)CC2)o1 499242538 JZSMADPDQLOACS-KRWDZBQOSA-N 413.482 0.917 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 502254070 MEBJLADTFJGYHV-FGTMMUONSA-N 414.462 0.086 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(C(N)=O)n3)C2=O)cc1 505177606 WLSQYCKGJRETEF-OAHLLOKOSA-N 406.402 0.302 30 20 HCED COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 514156574 USGWTHZZAVSHJG-IBGZPJMESA-N 407.474 0.976 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 516809009 RXXYMCSSPPLLQX-LAQRGFTBSA-N 411.458 0.760 30 20 HCED C=CCn1c(Cc2noc(-c3ccnc4c3nnn4C)n2)nnc1N1CCOCC1 521312839 ICWGFXIYCJBPIE-UHFFFAOYSA-N 408.426 0.618 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cn1 521966680 XDUAPXSSDZPUQV-OAHLLOKOSA-N 408.422 0.094 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)C1=O 523002123 JCOCHOSHBYBEMB-INIZCTEOSA-N 411.418 0.611 30 20 HCED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 526291051 NUQRAWRQPTZCCK-UHFFFAOYSA-N 407.452 0.464 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 533489463 XYLKCHWSVBHOAR-GOSISDBHSA-N 424.486 0.967 30 20 HCED CC[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC(=O)N1 542560217 MINALWYJMRKALI-JKSUJKDBSA-N 404.492 0.696 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc2cccnc12 544079057 KRJCZIHMHOKRFD-UHFFFAOYSA-N 420.494 0.980 30 20 HCED C[C@@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 547430107 ARUTYEDQRAVRJL-OAHLLOKOSA-N 404.492 0.650 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1CC(N)=O 548478816 SNMOKOBRUGZFLC-UHFFFAOYSA-N 410.499 0.153 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 549909430 XALNNKMIYLKHQY-UHFFFAOYSA-N 409.446 0.935 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C2 550338555 CUMFJYJRUAHQHH-INIZCTEOSA-N 422.493 0.021 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 552898189 GJSIWQMCNJJSDE-GJZGRUSLSA-N 412.537 0.994 30 20 HCED CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H]1c1ccnn1C 554234691 DCEQHWOFHLNKEX-OXQOHEQNSA-N 422.493 0.880 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(CC(=O)OC)C2)c1 560645387 PBKMKFVLPHOEDI-HNNXBMFYSA-N 409.508 0.766 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)NCCNS(=O)(=O)Cc3ccon3)C2)c(F)c1 569834874 IGKCINJFEFRDCK-CQSZACIVSA-N 421.454 0.747 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CCOC)c2ccc(C)o2)CC1 570007907 ALNSDTQFXHWCBF-MRXNPFEDSA-N 406.483 0.228 30 20 HCED CC(C)N(C)C(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 574083572 GYJXJNUXAQUMTI-UHFFFAOYSA-N 406.508 0.942 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)cc1 579620409 KOMSFSDEADNTKJ-HARLHBKBSA-N 417.487 0.079 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 585767645 AEGGNQQQTVHXGM-UHFFFAOYSA-N 422.489 0.974 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)nc1 588765450 OHCIOWAZESXLPL-QGZVFWFLSA-N 405.462 0.392 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(N)=O 589158962 IASQGFODOJIAFA-UHFFFAOYSA-N 413.499 0.912 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)ccc1Cl 615634718 ISFJNYYRCNJJHD-HNNXBMFYSA-N 402.835 0.993 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3cnccc3c2)c1=O 618638653 GFMQCAJUMNHNJX-UHFFFAOYSA-N 420.494 0.840 30 20 HCED C#CCNC(=O)CN1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 728572814 DTYPVRFFSNQZFZ-UHFFFAOYSA-N 412.515 0.716 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC2CCOCC2)CC1 736258981 YVOOGVMQMZSDGY-UHFFFAOYSA-N 420.535 0.686 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cn1 746345129 YXTOZCWZKJQTCW-QGZVFWFLSA-N 400.414 0.674 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 747880640 VPHQUVVGIZGJHQ-WJDWOHSUSA-N 403.504 0.955 30 20 HCED N#CC1(NC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)CCCCC1 748488441 QUOUHKXZTBUTKP-UHFFFAOYSA-N 412.446 0.817 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2C[C@H]2C2CC2)CC1 751739693 IRXUTPBMHZELKT-DLBZAZTESA-N 417.487 0.980 30 20 HCED COC(=O)[C@@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 752680181 SNNPONIZRVDNDO-HNNXBMFYSA-N 423.491 0.686 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c[nH]nc2-c2c(F)cccc2F)c(=O)n(C)c1=O 755802751 BKNXNTAPPYLATM-UHFFFAOYSA-N 424.389 0.065 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(F)c2)c1=O 758084243 ROKVGXYNXIZRCO-UHFFFAOYSA-N 413.474 0.728 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)n(C)c1=O 762310481 OYFNPYKNEHFNMS-INIZCTEOSA-N 422.445 0.296 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2cccc(S(=O)(=O)CC)c2)CC1 764082158 CFLHWSBHNRKYIC-UHFFFAOYSA-N 405.520 0.306 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 766354316 CUEZJGXQRUNRKE-UHFFFAOYSA-N 415.494 0.843 30 20 HCED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767675980 MEYPJCIKMCIPFI-NWDGAFQWSA-N 410.452 0.391 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1 767678269 XVGMVMMDXDOHAP-QWRGUYRKSA-N 408.436 0.145 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1OC 768151383 FOJNMFRJNITEQB-QLROVLMHSA-N 413.430 0.936 30 20 HCED C#CCCOc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 769462737 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400.460 0.827 30 20 HCED C=CCN(C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C(C)C 785647195 LSIMNZVQJGDQPT-UHFFFAOYSA-N 423.535 0.888 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccn(C3CCN(C)CC3)n2)c1 787559926 JJFIXQJDXALHIO-UHFFFAOYSA-N 408.462 0.825 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 787754568 FVEXEMJGTNHVCS-MOPGFXCFSA-N 423.473 0.832 30 20 HCED N#Cc1ncc(Br)cc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 787894324 KEOIUJFNVNECDC-UHFFFAOYSA-N 408.256 0.223 30 20 HCED C#CCC[C@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 799076351 LAIRSGCOCYPKNA-KBPBESRZSA-N 412.464 0.500 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@H](C4OCCO4)C3)CC2)nc1 804402359 JGBXVTCLGBUEKG-INIZCTEOSA-N 413.478 0.650 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805382022 YQRMAOYORRJVQA-UHFFFAOYSA-N 411.524 0.462 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CCN1C1CC1 806894503 APOAJTFCSUETLG-CQSZACIVSA-N 419.432 0.939 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3COc4ccccc4[C@H]3O)n2)cc1 808972135 VZCNJXOAILNPLE-FUHWJXTLSA-N 418.413 0.747 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1 813066255 UPWJATKIKBAGRT-PFFGMESJSA-N 401.398 0.757 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)n1cccn1 816038805 HNIAMKYHVJQLSP-XJKSGUPXSA-N 412.406 0.836 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCn3cnccc3=O)CC2)cc1 816282130 RKLCEOIIGVWINQ-UHFFFAOYSA-N 416.459 0.759 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)N1CCOCC1 822354028 FWFDFVOUSFQJLU-UHFFFAOYSA-N 423.491 0.688 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c(C)c1 918263255 ATQNCTSJCVPVTD-UHFFFAOYSA-N 411.418 0.980 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)Cn2cc(Br)c(O)nc2=O)c1 918342419 JUMOUDNMEFHRCS-UHFFFAOYSA-N 405.208 0.448 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCNS(C)(=O)=O)c1 920478258 IDTYVVYWZADTTJ-JXAWBTAJSA-N 402.498 0.377 30 20 HCED CN(C(=O)COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C#N 920709649 NAQMSXZNHXALHE-UHFFFAOYSA-N 412.424 0.567 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(CCN(C)C)c1 996912653 ASXJTTWHLCPCPX-GFEQUFNTSA-N 401.511 0.898 30 20 HCED CC(C)(C)NC(=O)CNC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1115913664 SNGRJOGFHSJPRH-CQSZACIVSA-N 400.435 0.485 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CC(O)(c3cccc(Br)c3)C2)CCO1 1213247219 RIHOVLLEDBINAL-ZDUSSCGKSA-N 402.270 0.421 30 20 HCED N#CCCN(CC1CC1)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1303014005 NZCLJUYAYHCKDP-SFHVURJKSA-N 404.496 0.953 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCc3ccc(C#N)cc3)CC2)cn1 1312068817 JVYUJJOJZQPTSU-UHFFFAOYSA-N 416.507 0.987 30 20 HCED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318453127 XXQZWJMOBGNNPH-JLUOLNIDSA-N 409.446 0.858 30 20 HCED CN(C)S(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1323383339 SGDSUGMDGDIZOG-ZCXUNETKSA-N 406.464 0.470 30 20 HCED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)CC1=O 1503682508 KNNAGOBPAMSDDE-UHFFFAOYSA-N 423.477 0.344 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC(C)(C)C 1504888492 SPXSEPNVYWZTAZ-CQSZACIVSA-N 405.503 0.900 30 20 HCED COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1545755246 GUUKIVNKUDECFW-OAHLLOKOSA-N 423.491 0.684 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cnn(C[C@H](O)CO)c2)CC1 1632221512 KHJZLNXBAGHPAC-KRWDZBQOSA-N 406.446 0.619 30 20 HCED N#Cc1cn(CCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(=O)nc1O 1638597400 LEVQYLJVMZZKIV-GOSISDBHSA-N 411.462 0.618 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](CN2CCCC2=O)C1 1645885233 PGGBJDHOWQQTFS-GOEBONIOSA-N 404.492 0.696 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1694740896 OSQGPVVNAVPWIH-GDBMZVCRSA-N 407.544 0.299 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1698484378 QRKAQMFBXPMESV-BBRMVZONSA-N 413.475 0.164 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1706075551 PISFKSKYOZJCIJ-KBPBESRZSA-N 423.499 0.485 30 20 HCED N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCS(=O)(=O)C1 1731189664 WOAFUGWWOQUMOJ-INIZCTEOSA-N 420.539 0.965 30 20 HCED CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1745790194 PSOWZRCPSVBJPQ-GUYCJALGSA-N 411.532 0.545 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)CCO1 1770749477 YYOHIMFLVBWMPB-GJZGRUSLSA-N 401.471 0.361 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778013729 KUXYRGSUDFOVMO-BFUOFWGJSA-N 403.439 0.565 30 20 HCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2)[C@@H]1SC(=N)NC1=O 1778083476 VUMDSIFQBIWFDU-QRDCCXFBSA-N 421.523 0.607 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)no1 1779106463 OLFTYTXDYMAGBM-LVZGSSTFSA-N 420.466 0.884 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1779259867 ZRRDWYCQIGUXJW-QINHECLXSA-N 410.515 0.922 30 20 HCED Cc1n[nH]cc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1780284360 YFUDZZCCGWAPTJ-YAUSOUDHSA-N 405.455 0.691 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc5ncnn5c4)CCO3)C2)c1 1780334365 BOYAVXZTFRCXNU-HXUWFJFHSA-N 405.418 0.686 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)CCC1 1780952940 UXDXZPHHXWVMHL-NRFANRHFSA-N 408.462 0.796 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782667187 XEKLKHPVEZDQJV-NRFANRHFSA-N 407.430 0.259 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782676152 BIZYHCUIWPWQEJ-IFXJQAMLSA-N 421.454 0.192 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]13C[C@H]1CCN3C(=O)OC(C)(C)C)CCO2 1783056423 ZGFJETVXTNCJMJ-NQERJWCQSA-N 403.479 0.849 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3F)[C@H]2C1 1783382818 GXFYFCDVUVMMEG-SDADXPQNSA-N 407.417 0.991 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3)C[C@@H]21 1783533095 PMZVHOWPXXPGIK-FWWYNNPBSA-N 407.536 0.720 30 20 HCED CC(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784184845 FDVRTRRTQFLCTK-SKAVBZFHSA-N 411.499 0.512 30 20 HCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1784187732 AYKRWPJFYYDNKQ-JLTOFOAXSA-N 420.466 0.656 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CN(CC)CC)C[C@@H]21 1784482474 CROBMUURTAOKNY-SLHNCBLASA-N 407.555 0.982 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)COC(=O)C(F)(F)F)CCO3)C2)CCC1 1785366526 JDPDJZVMAQAZFC-INIZCTEOSA-N 403.357 0.616 30 20 HCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCNC4=O)[C@H]2C1 1786260005 DHRLDYFVOFOEQQ-MPGHIAIKSA-N 413.478 0.023 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccn(C)n3)[C@H]2C1 1787048430 AIPGFYNKVIBJQM-LAQRGFTBSA-N 405.499 0.743 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789342635 DIQQUJRDCVBEPZ-CUSZFKRNSA-N 401.467 0.394 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)Nc1ccc(C2(NC(=O)C#CC(=O)O)CCC2)cc1 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407.492 0.975 30 20 HCED CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)CC1 480394123 HHRFECJAVVEQQA-IAGOWNOFSA-N 419.569 0.915 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CC(N)=O)C1CCOCC1 482490364 NMXKOJMKKMTPMD-BLLLJJGKSA-N 408.480 0.012 30 20 HCED C=CCN(CCOC)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 484564377 PXPPRDVRMQYXFY-UHFFFAOYSA-N 411.524 0.458 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489332512 QUGLEYGIGLQNBO-HZPDHXFCSA-N 406.508 0.557 30 20 HCED CC(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 498049322 VSCUPFYULJFUGM-IBGZPJMESA-N 421.567 0.567 30 20 HCED Cc1nc([C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)no1 501661040 BGWQRYZXGFNVOQ-HNNXBMFYSA-N 405.436 0.470 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)c1C#N 503723399 GSIGYZXVJPKLPN-BMFZPTHFSA-N 400.483 0.179 30 20 HCED Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)cc1 511920264 PXAOJUHFBPFPLH-OAHLLOKOSA-N 407.496 0.335 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 518019078 FOABIRBCSZKVHT-INIZCTEOSA-N 419.507 0.633 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCOCC 522283891 VIOSLEDYBZKYTC-UHFFFAOYSA-N 413.499 0.760 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)cc1 523041664 AHBFSIKLMLMEMM-HNNXBMFYSA-N 423.495 0.473 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 538258056 QLUKLWNRULVZLR-UHFFFAOYSA-N 424.509 0.779 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)n1 543011777 DJURPPSXBJAUTF-LBPRGKRZSA-N 407.839 0.639 30 20 HCED C=CCOC[C@@H]1NC(=O)N(CCNS(=O)(=O)c2ccc(Cl)cc2F)C1=O 553138092 YFXGZNCXXSCJFE-LBPRGKRZSA-N 405.835 0.880 30 20 HCED CC(=O)N1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 558042585 GUYWAPCLUXBWIB-QGZVFWFLSA-N 415.469 0.863 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 569769015 HQASTHDNWUCONJ-CQSZACIVSA-N 411.480 0.471 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 579397159 FIHMQJQARNRRNG-KNQAVFIVSA-N 414.506 0.903 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 579626898 KATWYLXCAOMESM-TZMCWYRMSA-N 404.452 0.033 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CN1Cc1ccccc1 583045497 QJYAWOILPLVCKB-DOTOQJQBSA-N 423.521 1.034 30 20 HCED CN1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC[C@H]21 587666491 VPWREBBOUUSWQD-IEBWSBKVSA-N 410.522 0.981 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CCSC2)s1 610414584 SPKRUJAQIFXGCC-CQSZACIVSA-N 402.523 0.178 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 672512730 XZRJHZKVDIZWIG-CQSZACIVSA-N 415.537 0.647 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CC1 726671249 QTFURZWWGXWPIL-SFHVURJKSA-N 407.448 0.347 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc(OCCCC#N)c2)c1=O 726783454 LISMBCMMEMNYEQ-UHFFFAOYSA-N 421.482 0.707 30 20 HCED COC(=O)N(C)CCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 729775681 CHIQYSCALHEGJF-UHFFFAOYSA-N 407.427 0.525 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccncc3C2=O)cc1 744220250 TXQNUVJPWWORRU-UHFFFAOYSA-N 415.427 0.999 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CC[S@@](C)=O)CC1 746471261 ZEPLFDFFOSCEMB-GDLZYMKVSA-N 423.583 0.948 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1 748149299 NISJPYIIZSZTCZ-AWEZNQCLSA-N 403.501 0.605 30 20 HCED CN(C(=O)COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)(C)C#N 749516579 IVTDGZSTZWSXOE-UHFFFAOYSA-N 410.448 0.925 30 20 HCED C#CCNC(=O)c1ccccc1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 754300814 XXXBVNIDHDDHCU-HNNXBMFYSA-N 407.492 0.124 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 757053304 POZDIVQEPYGLJM-GDBMZVCRSA-N 413.521 0.046 30 20 HCED C#CCCCC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 759191592 LKBQLOXCFRJBFP-SFHVURJKSA-N 400.431 0.844 30 20 HCED N#Cc1cnn(CCOC(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)c1N 764763322 JCIISIJMYHCKPG-UHFFFAOYSA-N 412.450 0.835 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)c1ccccc1 767680179 LQAGQGHHKLQUJE-ZDUSSCGKSA-N 415.427 0.725 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCCC[C@@H]2N2CCCCCC2)c(=O)n(C)c1=O 771897332 LPJJXAXYOGNMBU-HNNXBMFYSA-N 411.528 0.537 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC1CC1 778494278 UHLDVUSMVONYMV-OAHLLOKOSA-N 406.508 0.782 30 20 HCED COCCN(C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 782958442 FNJRJZDDHGPSLU-KGLIPLIRSA-N 409.464 0.578 30 20 HCED C[C@@H]1OCC[C@]12CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 792542109 VMICVDQHWDLSTG-LIRRHRJNSA-N 407.492 0.912 30 20 HCED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCC2(O)CCOCC2)C1=O 795185907 ZDQGWQDMXVNCTC-IHIJCHFRSA-N 420.535 0.992 30 20 HCED C=CCN1CC[C@H](OC(=O)c2ccc(C(=O)O[C@H]3CCN(CC=C)C3=O)nc2)C1=O 798596387 FDHGCCFIONSXQX-IRXDYDNUSA-N 413.430 0.969 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 799286673 JEKRSKLYCVRDKH-SNVBAGLBSA-N 422.381 0.818 30 20 HCED C#C[C@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1CCCO1 799322613 PDMWWXXAOWIWBK-LSDHHAIUSA-N 400.522 0.481 30 20 HCED Cc1cc(F)cc2c1S(=O)(=O)N(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2=O 804919928 FFTOYPDTNRAGTD-INIZCTEOSA-N 422.482 0.971 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CCN1C1CC1 806896729 KQUQEMYNLPFXFE-HNNXBMFYSA-N 414.441 0.883 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 807110831 YGVBIDAZXDDZJA-MELADBBJSA-N 400.501 0.869 30 20 HCED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808027387 ADSXKPVORPZMKG-STQMWFEESA-N 419.486 0.238 30 20 HCED C=C(Br)CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 808903100 VWFXLQGJJYBWAH-UHFFFAOYSA-N 417.348 0.754 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cncc(F)c2)CC1 816358016 OSKSOSGFUDGSSF-UHFFFAOYSA-N 417.466 0.998 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCN(O)C3=O)C2)s1 816757711 ZMVPPUZQZWESEF-CHWSQXEVSA-N 401.510 0.954 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCN(C)CC1 819952895 WHLFDDQYEZOSAP-KRWDZBQOSA-N 421.567 0.648 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 853146231 YXDWQEUHHRQYQT-ZIAGYGMSSA-N 413.496 0.508 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCCOC)CC2)c1 918394901 ZSAIYNSWIAUZFB-UHFFFAOYSA-N 421.519 0.603 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 920108628 VAGJZIZEWIXFGU-DOTOQJQBSA-N 407.492 0.867 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1296664256 MGSKUMURZADGQT-ABSDTBQOSA-N 420.514 0.380 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCNC3=O)CC2)cc1 1312831786 NJUWSHOUSRHLTA-HNNXBMFYSA-N 405.480 0.100 30 20 HCED C#CCOCCN(C)CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1319552531 NRQRKUDTXINCDK-FOWTUZBSSA-N 402.476 0.816 30 20 HCED COC(=O)C1CCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1322096410 CUVFICNFNNVBQF-MRXNPFEDSA-N 413.430 0.866 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)c2ncn(C)n2)C1=O 1324270082 VIMBAUOPJAKSPZ-GXFFZTMASA-N 415.479 0.743 30 20 HCED N#C[C@H](C(=O)c1cn(Cc2cccc(F)c2)nn1)C(=O)N1CCS(=O)(=O)CC1 1342581412 ZARNTYXZDWUPDH-CQSZACIVSA-N 405.411 0.045 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1352234597 JBGLFHXBQXZKMH-AWEZNQCLSA-N 405.418 0.981 30 20 HCED N#C[C@H](C(=O)Cc1ccc(NC(=O)C2CC2)cc1)C(=O)N1CCS(=O)(=O)CC1 1356028393 CHEFGEKBNDOJHP-MRXNPFEDSA-N 403.460 0.543 30 20 HCED COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1450216532 SEWFPCSZKABRES-GUYCJALGSA-N 416.459 0.521 30 20 HCED N#Cc1cn(CC(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)c(=O)nc1O 1557004902 YIHJIIKTQVROFL-LSDHHAIUSA-N 421.379 0.967 30 20 HCED CN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccc(C#N)nc1 1586485822 VNDDCCAZJJFAMO-UHFFFAOYSA-N 402.212 0.822 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1([S@@](C)=O)CC1 1608579769 PWGXYYAZLOOBGS-PEGYKEAPSA-N 419.555 0.504 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[C@@H](C)C#N 1620448615 OPXGFJYREBEZIR-HNNXBMFYSA-N 422.507 0.525 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](O)[C@@H](CO)C3)CC2)cc1 1642948330 SBVZKMZFQMJVGW-SJLPKXTDSA-N 407.492 0.161 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCCC1 1706871335 OFMDWKFVPDOAKX-YOEHRIQHSA-N 413.523 0.816 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1729730049 VJPRUQBDKRAWLG-UHFFFAOYSA-N 410.482 0.803 30 20 HCED Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)n1 1742325157 RIFZWKFXFPRTIX-KRWDZBQOSA-N 407.475 0.982 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1778970483 BYBCVHAGXYCQAT-YWZLYKJASA-N 418.450 0.191 30 20 HCED Cn1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779104860 OVCPIMUUNOSZNU-LFQSBUTJSA-N 419.482 0.322 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1779107803 ZBPVKJGEVLFJPY-MEWPLMBNSA-N 421.494 0.913 30 20 HCED 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0.344 30 20 HCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783914224 RWPAYCNAUQMQNE-QRWLVFNGSA-N 411.499 0.668 30 20 HCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)c1 1789257600 XQURWHRWLNHBNZ-JQFCIGGWSA-N 410.434 0.592 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn(C)c(C)c3Br)C[C@@H]21 1790793509 FEJHOXHONKOTOS-AVGNSLFASA-N 409.284 0.718 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)[C@H]2C1 1790987719 YKSFHVMHUBPXEX-QZWWFDLISA-N 423.510 0.529 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=COCCC3)[C@H]2C1 1791325799 IGGGVDFPQIRZCL-SZMVWBNQSA-N 404.511 0.942 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cccn3)[C@H]2C1 1791643848 MHIDSADQFZHNHQ-OWSLCNJRSA-N 418.494 0.933 30 20 HCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1793256900 AFTIWFKCYCTPMP-AYMMHLMVSA-N 413.518 0.781 30 20 HCED 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CC#CCN(C)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 492220331 VCNAVVAMJYRTMM-UHFFFAOYSA-N 423.491 0.526 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 497513380 KJMZOGWQNFZDNY-UHFFFAOYSA-N 418.519 0.800 30 20 HCED Cn1c(=O)ccn(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1=O 500065389 SGDCCGLVNZNBGE-UHFFFAOYSA-N 404.430 0.316 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 501275094 WOGCTIGZJHXKCB-UHFFFAOYSA-N 402.499 0.542 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 502332535 NGYBAYZGOMUPAV-SFHVURJKSA-N 406.508 0.301 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 503429713 FYMXZQNFVSHICU-ZYHUDNBSSA-N 419.912 0.429 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 511452123 AGIRCXOTRIHLLL-QWHCGFSZSA-N 411.505 0.807 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 512159818 MFKUUKKTTKVFQZ-QZTJIDSGSA-N 406.508 0.969 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CSCc1ccc(C#N)cc1 512656578 KXHMOELHKBCJMR-MRXNPFEDSA-N 409.533 0.943 30 20 HCED Cc1c(C#N)cccc1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 513061005 FSAAAMYBCRGAAD-HUUCEWRRSA-N 406.508 0.979 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 516028552 HRDCURYORVXGQH-UHFFFAOYSA-N 405.458 0.957 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)c1 517153521 FQOHZJMSSZWPSQ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CC1(C)C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 520355458 USTDFXGESLZNTM-UHFFFAOYSA-N 404.492 0.696 30 20 HCED Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 522923508 GGNGWXPOKAUYRW-UHFFFAOYSA-N 404.408 0.645 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 523083140 SGJPCHZXJRJZEZ-UHFFFAOYSA-N 400.460 0.475 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C)o3)c2=O)cn1 523862796 IWQFPMHTFJBZCH-UHFFFAOYSA-N 409.471 0.799 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CC#N)CC2)o1 524813431 OFLXYMZBJMYUQW-AWEZNQCLSA-N 424.479 0.277 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 536741320 WXGBCGIOUKYHBJ-UHFFFAOYSA-N 420.495 0.337 30 20 HCED CC(=O)NC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 539453161 MVQHDNZRZQLAQV-IAGOWNOFSA-N 405.524 0.294 30 20 HCED C[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 540973572 RMACAYSUHGRJKC-ZDUSSCGKSA-N 400.414 0.658 30 20 HCED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549656496 JNEBJTREFYRLPX-UKRRQHHQSA-N 403.443 0.772 30 20 HCED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCc4ccc(C#N)cc43)ccc21 550155133 ZYUBCARQSWRGFQ-UHFFFAOYSA-N 404.430 1.452 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 550284307 PJGOAUNKRSJSGU-OAHLLOKOSA-N 414.505 0.369 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@H](C4CC4)C3)CC2)c1C#N 561700909 HBQVBWILUCIWTF-RDJZCZTQSA-N 400.483 0.323 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1=CCN(C)CC1 568805688 CNMLRFWCDZFORM-DNVCBOLYSA-N 409.490 0.542 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 573750509 NBQPTMCIEPJLRG-UHFFFAOYSA-N 412.899 0.983 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579697553 TZAQEQUFFHYJCW-UHFFFAOYSA-N 408.422 0.698 30 20 HCED COc1ccc([C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N(C)C)cc1OC 585684774 BNXVROCHGMAZLX-QGZVFWFLSA-N 417.510 0.527 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NC[C@H]2CCCOC2)CC1 585773654 YSKBIHYZVFVJHJ-CQSZACIVSA-N 413.434 0.998 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588728650 UEWQDBLRVPHICZ-UHFFFAOYSA-N 418.498 0.157 30 20 HCED CCOc1ccc(NC(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 609281550 PAPIGPNTVSDIRC-OAHLLOKOSA-N 424.479 0.862 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 610386070 RWRPNMXSJZOBDB-LLVKDONJSA-N 406.402 0.320 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)cc1 677221881 XCCCWAVVVUODSV-AWEZNQCLSA-N 407.492 0.989 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 727341809 BLIHIIKZJAEYOD-UHFFFAOYSA-N 424.486 0.777 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 728536069 HQELBHXSJYZKKL-KRWDZBQOSA-N 416.547 0.949 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)CC1 728536396 YWOJYNFXNWKDIC-HJWRWDBZSA-N 422.529 0.832 30 20 HCED COC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 730958938 IQCDUPPHGJSKPY-INIZCTEOSA-N 408.480 0.772 30 20 HCED N#CCOc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 731211498 LHKNYDIGBXXLCF-KRWDZBQOSA-N 413.521 0.223 30 20 HCED CNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 732496314 RAPVJKZXQQTKFE-MJGOQNOKSA-N 404.426 0.955 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCc1nc(O)c2cnn(C)c2n1 734291173 IZOGNPOGNDTEEM-UHFFFAOYSA-N 400.420 0.687 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 734544481 RZLOMBZKMLBNTC-IBGZPJMESA-N 412.490 0.967 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)c3ncccc23)CC1 735923586 SZWMLROLZPYDHD-UHFFFAOYSA-N 400.504 0.989 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 742072678 RRSYSUMZQCHLLT-SELCWUDQSA-N 402.426 0.842 30 20 HCED CO[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 752133045 PVUDNQOHOOEUQN-ZDHNHOGNSA-N 408.480 0.685 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 755258377 PTUDEJOOOWYMCC-LNMJFAINSA-N 406.442 0.713 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCCN1CCC[C@H]1CO 763072018 FLOMXBDTXFNQNY-HNNXBMFYSA-N 408.524 0.468 30 20 HCED C#C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@H]1CCCO1 773554938 GDDMNIDNIKIWND-DLBZAZTESA-N 400.483 0.326 30 20 HCED N#Cc1cccnc1NCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 780824778 JKEYOIRANCENFL-MRXNPFEDSA-N 422.511 0.201 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c1 781035601 CRMUBASYKUYMEZ-HOCLYGCPSA-N 422.459 0.165 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)c1 782742545 NNVKJYHQZGMPOW-URWNISHNSA-N 420.491 0.279 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 783333339 SNKOTRHQIOQLFE-UHFFFAOYSA-N 409.830 0.633 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 785164892 MZWWCJPYFRIVRA-UHFFFAOYSA-N 408.354 0.693 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 786492692 SGSARCSZZOQNAN-CQSZACIVSA-N 414.505 0.427 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 787056324 LQGLGZBSWCEWFI-AUUYWEPGSA-N 413.390 0.640 30 20 HCED C[C@@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)n1cnc(C#N)n1 798740778 BROHRIPTFSIDBI-NSHDSACASA-N 414.378 0.764 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)cn1 801551783 SSJMCCZQBXVFJN-UHFFFAOYSA-N 408.462 0.256 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c(F)c1 802559242 JHNAEEYRDLSTKB-LBPRGKRZSA-N 404.417 0.696 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1cccc(OCCN2CCOCC2)c1)[C@@H]1CCCO1 803217475 CZQUPOUWPPAXPG-PMACEKPBSA-N 415.490 0.311 30 20 HCED C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NC1CCN(CC#N)CC1 805058765 ZJTRSMOKOVTNAT-CABCVRRESA-N 407.515 0.852 30 20 HCED COc1ccc(NC(=S)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1OC 807951086 GYUNEIOVORFHNS-UHFFFAOYSA-N 420.495 0.488 30 20 HCED CC1(C)C(=O)N[C@H]1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 819076886 QTORPLKQTXGSKB-KRWDZBQOSA-N 418.519 0.878 30 20 HCED Cn1cc(C=NNC(=S)NC2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O 839393197 UVBAYBQQVOWMDY-UHFFFAOYSA-N 414.535 0.547 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C#N)c1C 914654949 WBBOVQSEHXLCOU-STQMWFEESA-N 423.447 0.285 30 20 HCED N#CCSCC(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 915386855 WHJMDVBZYYXKDV-UHFFFAOYSA-N 408.455 0.708 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1CCOC 917352206 MBDUVDNVQONKHF-UHFFFAOYSA-N 422.304 0.568 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCNS(=O)(=O)c3cccnc3)CC2=O)cc1 1116328845 NZALXYCUGYYQKI-OAHLLOKOSA-N 413.459 0.401 30 20 HCED Cc1nc(=NC(=O)CC2CCN(S(C)(=O)=O)CC2)n(-c2ccc(C#N)cc2)[nH]1 1126496394 LTWMFBMKIKVZHA-UHFFFAOYSA-N 402.480 0.870 30 20 HCED C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1303722122 LAALZSAKDFQVHC-WBVHZDCISA-N 422.555 0.641 30 20 HCED Cn1c(=O)c2ccc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2n(C)c1=O 1311220649 ZCWAUYFNLZBCEX-UHFFFAOYSA-N 419.445 0.858 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2=O)cc1 1318036057 LDLUUSYXCSHXHR-OAHLLOKOSA-N 404.430 0.881 30 20 HCED C=CCn1c(Cc2noc(CCNC(=O)C(C)(C)C)n2)nnc1N1CCOCC1 1337901086 JJBAWEHWHFJXQX-UHFFFAOYSA-N 403.487 0.979 30 20 HCED CC(C)NC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1610101517 LDOWTLXOSDFOPW-GOSISDBHSA-N 408.510 0.965 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1617384848 SJHNWXSNCLGVIX-CQSZACIVSA-N 404.496 0.981 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1)[C@@H](C)C#N 1643952127 KIOKTXZVQHUSFV-HNNXBMFYSA-N 424.523 0.771 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1687013032 YXWIDXQLMKDRON-MSOLQXFVSA-N 406.508 0.588 30 20 HCED CCN1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1710298957 LXXQCYRACDNOAP-GOSISDBHSA-N 413.530 0.435 30 20 HCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1710980578 JTTVCIRWRKSOPD-MRXNPFEDSA-N 416.507 0.918 30 20 HCED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)CC1=O 1711279325 UZKRYWBYJPPNNM-UHFFFAOYSA-N 423.521 0.942 30 20 HCED C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1726751853 JABJQIPVNRTWIW-MAUKXSAKSA-N 409.494 0.849 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)N1CCOCC1 1742836150 WABJEAKPRVLMIT-HOTGVXAUSA-N 411.514 0.684 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)C1 1751277391 KLHDQSNZYLGHNF-BMGDILEWSA-N 409.512 0.462 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cn5ncccc5n4)C3)C2)c1 1777953669 QVGXZOJAGAXWMD-HXUWFJFHSA-N 405.418 0.686 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)c1nc[nH]c1[N+](=O)[O-] 1778060217 GKFOVHLBHBRUTH-AUUYWEPGSA-N 401.423 0.859 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1778971283 IVBYFWRDBXJWRV-KKSFZXQISA-N 413.478 0.746 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1778971371 LFGLFODVQLLPAA-UWJYYQICSA-N 404.511 0.999 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779960643 FEYBVVUNEJDPCA-LAUBAEHRSA-N 413.478 0.746 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1781268029 GOPICLALULBKPK-GOSISDBHSA-N 421.410 0.271 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1781271070 XMNRNLDMOJTBIA-FNEOHHHZSA-N 414.462 0.829 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)no3)C[C@@H]21 1783530419 ZMQDFDMZUAJTDU-HBRMBBLDSA-N 402.451 0.435 30 20 HCED COc1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccc(F)c1F 1783563384 QQYXYMAJLVWOFY-IBGZPJMESA-N 408.357 0.505 30 20 HCED CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785349019 YENRAMRCFWZRBX-JLTOFOAXSA-N 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HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1839228508 FXKRRELHMRDJNK-MBOZVWFJSA-N 411.499 0.670 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1840155890 FZUYLJYVPYEUCM-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840160620 NJASQKWFLVZIDH-ORAYPTAESA-N 408.476 0.804 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1840167365 LUXZQMUUDMNGIQ-TZIWHRDSSA-N 400.479 0.341 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840168202 DISCXCSRWUPBSC-IBGZPJMESA-N 408.886 0.947 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840325371 VLJHZSKMEFQETO-KKSFZXQISA-N 420.510 0.372 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841099166 WNXAGJPBMXGCQL-HNNXBMFYSA-N 403.504 0.985 30 20 HCED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1)c1ccccc1 1841847878 SIUBRSQZZPLBNJ-SFHVURJKSA-N 422.485 0.939 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c(Cl)c1 1845487276 CGLLJWXXIRHHOH-UHFFFAOYSA-N 415.837 0.580 30 20 HCED COC(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c([N+](=O)[O-])c1 1845536824 HCYFHWINIOHNQM-UHFFFAOYSA-N 415.358 0.286 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846399640 SRGDCNRACSKBFX-BMZJSHLCSA-N 420.388 0.397 30 20 HCED Cn1c(N2CCN(CCOc3ccccc3Cl)CC2)c(C#N)c(=O)n(C)c1=O 28795598 SYVSBOAIJPPKEL-UHFFFAOYSA-N 403.870 0.810 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2cccc(C(C)=O)c2)c1=O 31584715 VARKZEWVXLDGMW-INIZCTEOSA-N 401.419 0.186 30 20 HCED CCN(CCC#N)S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 409596461 SRBLYLBLOVOSGS-UHFFFAOYSA-N 411.503 0.934 30 20 HCED CC1CCN(C[C@H](O)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 409710335 GHMZQRQSVIJWOL-QGZVFWFLSA-N 408.524 0.701 30 20 HCED COC(=O)c1coc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)c1 438232783 QPPXNWQFTJNXFT-UHFFFAOYSA-N 409.424 0.541 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)nn1 441772939 AEKJGXVAIIBXSN-UHFFFAOYSA-N 418.413 0.501 30 20 HCED CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443101342 IDMFAEFVPPSAEK-HNNXBMFYSA-N 407.452 0.394 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1 471768061 JQDJUAKITJSAIB-UHFFFAOYSA-N 421.479 0.785 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)c1 475592217 RRMCTWWBKOKCSV-UHFFFAOYSA-N 410.482 0.836 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)n1 476997053 AXNAMIVXXKWRET-UHFFFAOYSA-N 416.528 0.319 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C#N)cs2)c1=O 481976236 JBWQPJACWNFKIF-UHFFFAOYSA-N 400.485 0.295 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 485991898 DZTLSCRFRVXIQV-GOSISDBHSA-N 418.519 0.837 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cn1C 486126233 WLXRVRCOVRLPCM-QGZVFWFLSA-N 402.480 0.133 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 490098994 DZLQTGXHPIXRAR-UHFFFAOYSA-N 400.435 0.603 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 505713182 HONVKHNJGGWCQL-HOCLYGCPSA-N 402.480 0.755 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)CC2)c1 506468364 XBEDTFXENCLHKF-UHFFFAOYSA-N 421.461 0.472 30 20 HCED Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 507108740 HOJPAQGMPXEJEJ-UHFFFAOYSA-N 409.494 0.701 30 20 HCED C=CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 516352896 XVYJASUOVISATR-GFCCVEGCSA-N 402.450 0.814 30 20 HCED COCCn1cc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 517164244 DNBIYSVMSKPJPY-UHFFFAOYSA-N 400.414 0.828 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCN1S(C)(=O)=O 539556511 JPKRNGUCWWBWIB-JTQLQIEISA-N 422.326 0.975 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3ccc4c(c3)OCO4)CC2)nc1 550118869 YCUWBRAKCDUYEQ-UHFFFAOYSA-N 407.430 0.689 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 550510301 RRHNRXMETKQVDX-HXUWFJFHSA-N 416.522 0.955 30 20 HCED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)CCCc1[nH]nc(N)c1C#N 551100389 AKGWXMYTRMFQMY-GOSISDBHSA-N 410.478 0.854 30 20 HCED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551439276 OSHVMCCFUPMKOR-LJQANCHMSA-N 422.489 0.485 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 551576543 LPAKXLAZSDZXMZ-LLVKDONJSA-N 401.391 0.991 30 20 HCED CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 553355217 ZPEIJZLVIBHRCT-INIZCTEOSA-N 401.515 0.239 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 553436580 FPDSAEDBWJMLAD-AUUYWEPGSA-N 420.491 0.744 30 20 HCED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553531226 JDXSCUMUEVYCFM-JTQLQIEISA-N 402.270 0.534 30 20 HCED C[C@@]1(CNS(=O)(=O)c2ccc(C#N)o2)CCN(S(=O)(=O)c2ccc(C#N)o2)C1 553894125 AGLRIXIJHHVRME-INIZCTEOSA-N 424.460 0.995 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cn1 557330977 TYHVGYGHCKDWRV-UHFFFAOYSA-N 421.866 0.948 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2nc(CN3CCOCC3)cs2)cc1 563245341 QIZZNMWGCRRRCF-UHFFFAOYSA-N 421.504 0.764 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCC[C@H]2C1 564198905 FPWXSAHETNZHOK-HQJJXPTPSA-N 418.519 0.988 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)NCC(=O)NCC#N)c2c1 567133602 KZMZLLIRSQPNOO-UHFFFAOYSA-N 419.463 0.340 30 20 HCED CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 583896837 QEQUCAHMVNWXDP-FWQZJQRASA-N 417.535 0.798 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)[C@H]3CCCCO3)CC2)c1C#N 589131559 IJUCGQHLKBVXQA-QGZVFWFLSA-N 416.526 0.960 30 20 HCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccn3)c2=O)cc1 603826294 FTEJFTAKVOXASX-UHFFFAOYSA-N 406.467 0.942 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 604526498 KARRONYUJMDVHN-UHFFFAOYSA-N 412.406 0.049 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 610239544 LVFXSUMFIJSNMV-ZBFHGGJFSA-N 410.544 0.396 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 610964247 RBWFOGQNTXLNBH-GOSISDBHSA-N 401.467 0.878 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1C 619538201 BWDVQGMKCZASHU-UHFFFAOYSA-N 407.879 0.374 30 20 HCED Cc1ccccc1[C@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(N)=O 732907622 BNDOSOLVPHMCFL-GJZGRUSLSA-N 406.464 0.060 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)C[C@H]2CCCO2)cc1 734139321 RQZBLFLNFQYHNP-MRXNPFEDSA-N 408.476 0.782 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 737206850 BDQPLGKHHDQABY-UHFFFAOYSA-N 401.444 0.909 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 740518828 NQYIEDXCLNSBRM-LTGZKZEYSA-N 422.532 0.921 30 20 HCED CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743729178 XKGYADSRZDKGAG-UHFFFAOYSA-N 417.535 0.438 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c1 748748727 AORMTEJUZIGRRA-MRXNPFEDSA-N 409.533 0.885 30 20 HCED Cc1nonc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749742742 UYJDMFVYPLOBLL-JCMHNJIXSA-N 420.451 0.446 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(CCC#N)n1 755546547 MGTLSXQLHLCXNF-UONOGXRCSA-N 415.454 0.919 30 20 HCED COC(=O)[C@@]1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 755735961 DZKKBXYOHJWCCR-LJQANCHMSA-N 423.491 0.734 30 20 HCED C#CCOCCC(=O)NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 756506967 YSLBUOJJIGLJSN-UHFFFAOYSA-N 403.434 0.475 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1C(=O)N(C)C 757289766 AGZQFEWZQHMDMT-CQSZACIVSA-N 421.461 0.726 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1CCOC 761836845 SGMFMXGCHGVJFM-UHFFFAOYSA-N 416.528 0.695 30 20 HCED CN(C)CCOc1cc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccn1 763018322 ILJMZGJKEKVYRL-ISLYRVAYSA-N 402.455 0.348 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@H]4C3)n2)cc1 763847908 JRNGWOOMTNBXCK-HNNXBMFYSA-N 409.406 0.190 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(COC)o2)c1=O 765146160 WQOLNHQJMXOLKU-UHFFFAOYSA-N 405.476 0.323 30 20 HCED CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 767634634 FIOLWCJWMIQGOY-PBHICJAKSA-N 423.491 0.652 30 20 HCED COC(=O)C1(O)CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 770250179 JVYZCZKZCPELTC-LBPRGKRZSA-N 409.464 0.030 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 772366657 HQBUPBTXUJAKRB-UHFFFAOYSA-N 406.574 0.994 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1 774956278 OLCKGZGQQYLMRP-UHFFFAOYSA-N 409.328 0.945 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)[C@@H]1CCCO1 775786459 WXHGABJKXOTILW-FTRWYGJKSA-N 400.435 0.264 30 20 HCED N#CCCCS(=O)(=O)NC(=O)CS(=O)(=O)c1cccc(Br)c1 776123655 RRARASOVPUQJLN-UHFFFAOYSA-N 409.283 0.973 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 779892587 GOXYQFKETIRQPE-UHFFFAOYSA-N 408.480 0.224 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F 783347794 OOUUBACHTGIROE-UHFFFAOYSA-N 407.351 0.852 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2nnn(Cc3noc(C)n3)c2C)cc1 786320060 XFRTUNIRECMHPB-OAHLLOKOSA-N 409.406 0.974 30 20 HCED N#C[C@@H](C(=O)Cc1cccc(N2CCCC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 786417785 MRLPDTFPRCTIQI-INIZCTEOSA-N 403.460 0.322 30 20 HCED COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 788359397 OJGBLEUZPRXZKN-NUEKZKHPSA-N 406.460 0.773 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCCO1 793741753 FRWXZSCSVWJFAF-OALUTQOASA-N 413.474 0.300 30 20 HCED C=CCOC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 796456562 RQBUTSOMSKJUSM-KUHUBIRLSA-N 407.398 0.453 30 20 HCED N#Cc1cccnc1NCCNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 800701946 DNMIDSSFTWTPTJ-UHFFFAOYSA-N 406.512 0.965 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)c(F)c1 802549302 LPPHFULBYWUXET-UHFFFAOYSA-N 406.433 0.991 30 20 HCED CC[C@](C)(C#N)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 803007437 VWQSFCCRJMRVAL-MRXNPFEDSA-N 417.509 0.847 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)CC1 804898298 ILSCMCRJQYHZGH-FUHWJXTLSA-N 403.527 0.849 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 805436216 ZEZBZYJJCYSLEM-UHFFFAOYSA-N 408.436 0.509 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 807356695 GAURNPWYWWVALI-RBZFPXEDSA-N 416.409 0.755 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 807375839 IBWSJQZSAWRZNA-AWEZNQCLSA-N 411.455 0.707 30 20 HCED NS(=O)(=O)c1ccc(C=NNC(=S)NCCN2CCOCC2)cc1Cl 807947510 YPSOEGOCHDNEPI-UHFFFAOYSA-N 405.933 0.118 30 20 HCED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 810774112 CSAQZHSLGFLQTO-UHFFFAOYSA-N 420.459 0.835 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC2)CC1 812378204 GGOUWXXJALVTCR-OAHLLOKOSA-N 402.499 0.419 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1COCCN1CC(F)(F)F 816127748 HDOZRKXTGCKFBQ-LLVKDONJSA-N 422.341 0.534 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2c(Br)nnn2C)c1 816146580 HTHFTGHAAOZDPP-UHFFFAOYSA-N 413.253 0.846 30 20 HCED COC(=O)[C@H](Cc1ccncc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 820261939 RONPTVIWFKYMBO-AWEZNQCLSA-N 402.432 0.021 30 20 HCED CC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 918794725 RYSDQRHSKMEOMP-LBPRGKRZSA-N 415.406 0.523 30 20 HCED Cn1ccnc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110679976 IWSXOVSNQDJFKA-MAPUTHEBSA-N 400.483 0.249 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN([C@H]4CCOC4)CC3)C2=O)cc1 1118829614 KYRMIDKRUIBQFP-ROUUACIJSA-N 411.462 0.696 30 20 HCED C=CCn1c(Cc2noc(CC3(CS(C)(=O)=O)CC3)n2)nnc1N1CCOCC1 1254836218 QUTPPTWHZNPNDV-UHFFFAOYSA-N 422.511 0.642 30 20 HCED Cc1noc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1290936846 JJAHVKITEHVBOW-KBPBESRZSA-N 406.468 0.562 30 20 HCED COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1298155823 XJIWHEUDNLGBQY-BLLLJJGKSA-N 402.432 0.651 30 20 HCED CS(=O)(=O)Nc1cccc(F)c1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1319063197 QENILJGSPYIWGP-WUKNDPDISA-N 410.427 0.730 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 1319447224 JEDUZBCNJLALIB-RGEMVIMISA-N 405.499 0.580 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1323407523 PKHGHCLTNSDASN-NUMWXTGKSA-N 406.464 0.688 30 20 HCED CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1359602796 URWWSVGLZDDODZ-UHFFFAOYSA-N 404.496 0.669 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)N3CCC(S(N)(=O)=O)CC3)CC2)c1 1478902601 XQAABLMVMIQXQK-UHFFFAOYSA-N 405.524 0.985 30 20 HCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)on1 1493145971 WJDAWGTZHQIRQI-DOMZBBRYSA-N 423.499 0.552 30 20 HCED CCOCc1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1503009673 PSNFEIRQLAWFJC-AWEZNQCLSA-N 416.573 0.789 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)C1 1505137646 LCEFJJRVCZWUDO-HOCLYGCPSA-N 417.495 0.350 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCS(C)(=O)=O 1508408448 XPEMSCSHVJWKJJ-CYBMUJFWSA-N 405.484 0.956 30 20 HCED CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CCOCC1 1516989473 OLACETUXAUMAKM-UHFFFAOYSA-N 409.494 0.864 30 20 HCED COc1cccc(-n2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nn2)c1 1533293591 LNFVKEXWOACQCJ-UHFFFAOYSA-N 412.431 0.953 30 20 HCED Cn1c(=O)[nH]c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C#N)c1=O 1611723027 NXBVCOCGKGORHA-UHFFFAOYSA-N 409.855 0.110 30 20 HCED CCOC(=O)c1cc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]n1 1651875576 YZLUEALHTYGEMX-UHFFFAOYSA-N 403.464 0.965 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1 1670629736 RVBIKCGDDUHEMX-NEPJUHHUSA-N 400.423 0.482 30 20 HCED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1=O 1696880553 WTHLRKHGYIJENR-UHFFFAOYSA-N 409.494 0.817 30 20 HCED COCCn1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1712466638 QFAQYWVXEXRSDN-INIZCTEOSA-N 414.470 0.020 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1729669021 ACQVESAEGAAFCG-OAQYLSRUSA-N 410.478 0.931 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1761356754 OLAILQWCCFPWDH-LSDHHAIUSA-N 423.543 0.676 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1778969401 KDRLFEZEYIBXMP-FIKGOQFSSA-N 402.495 0.484 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1778980420 UNAXNKAPSIWGTB-SPEDKVCISA-N 422.570 0.025 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779964792 DHBURYMVCWWZKO-GCKMJXCFSA-N 418.494 0.883 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CCC(=O)NC2)C3)c1 1780173552 QWQZOKXJGHGVEH-QLVMHMETSA-N 413.478 0.540 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)c4cc[n+]([O-])cc4)CCO3)C2)c1 1780176258 XYKDMNDMVGNECX-JOCHJYFZSA-N 422.441 0.958 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)cc1 1781793956 XWGICVJZJWYOJK-NRFANRHFSA-N 407.430 0.593 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)C(=O)C5CC5)CCO4)C3)c2c1 1782193642 BEYDDZNKECKUQZ-OAQYLSRUSA-N 407.430 0.857 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1784492520 UZJUAATXSQVKQB-DZKIICNBSA-N 420.466 0.464 30 20 HCED CC(=O)NCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1784645759 SZQVPZXHPLXBTQ-ULQDDVLXSA-N 404.511 0.822 30 20 HCED Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CCC#N)[C@H]4C3)nc2s1 1786701158 UMNVLOAHZWCJDP-BPUTZDHNSA-N 416.507 0.925 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(F)cc34)[C@H]2C1 1788389139 VXTHCORBQLOXEZ-PJODQICGSA-N 414.393 0.383 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCCC3)C[C@@H]21 1789894779 DFGWZYDFFVYQJY-FHWLQOOXSA-N 421.538 0.961 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(=O)OC)cc3[N+](=O)[O-])C[C@@H]21 1790794081 YCBAQAXVDIDLTM-QRTARXTBSA-N 415.402 0.608 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc5n(n4)CCCO5)C[C@@H]32)CCC1 1792139541 BPCYDRHWMIYMRX-ZOBUZTSGSA-N 413.478 0.953 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)C1 1792441353 BHVJCLZPFNTAJO-REPLKXPHSA-N 402.539 0.322 30 20 HCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1ccccn1)C2 1793568594 VSKBPGMMSKLLAJ-RZFLPCETSA-N 412.490 0.876 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793594975 ISWVXFINSUBXQI-JYYAWHABSA-N 406.483 0.959 30 20 HCED Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)c1F 1794495206 BFSBFDPJNDRAKU-TVBFOXHISA-N 417.441 0.783 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cncn2C)c1 1794833919 JGIRIHUWENHFEI-HGKCTWBKSA-N 409.446 0.817 30 20 HCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)cc1 1795450695 DSSRUAQDWKZSHI-RMFSNUHRSA-N 410.474 0.578 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3nc(CO)[nH]c3c2)CCC1 1796872746 PQHTVJVJOWLCAH-CCWDJLKJSA-N 423.473 0.952 30 20 HCED CN1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)CC1 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O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1803446070 KDJUZKUJIQGCBM-JPYJTQIMSA-N 420.469 0.816 30 20 HCED CCS(=O)(=O)CC(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803509272 HQCQBQWWMQFIKF-YLJYHZDGSA-N 403.504 0.936 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cnnn2C)[C@@H]1c1cccnc1 1804738654 AAQBGEWXLSIOAR-JDSYDOCNSA-N 423.477 0.388 30 20 HCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)ccc1F 1808563518 YIKOVMRNDLHHGR-LKUPVBHCSA-N 424.480 0.627 30 20 HCED Cn1nc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c2c1CCC2 1809366582 QKPFCJXEJZAITD-VFNWGFHPSA-N 421.457 0.711 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)COc2cccnn2)[C@@H]1c1cccnc1 1812881994 GFKGTKMDOKHAMU-FOIQADDNSA-N 409.402 0.044 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816032280 KWUNTYAHFHXGFV-SNVBAGLBSA-N 404.452 0.996 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C3)C2)C1 1829669020 NVDBGDJXHVXNOT-NQIIRXRSSA-N 408.495 0.997 30 20 HCED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccc(C#N)c1)CCO2 1830459449 YLSXTKUQXRXUKV-JOCHJYFZSA-N 415.490 0.984 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(C)n(C)n1)CCO2 1830958861 YUUCGCSLOMHNTE-OAQYLSRUSA-N 402.495 0.531 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1831396439 MLMLITMFUQAUCY-UWJYYQICSA-N 418.494 0.320 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831398486 CXUWMLIXAQWSRP-MBOZVWFJSA-N 409.483 0.282 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1831425313 SUTPGUZFDJBPBM-JXFKEZNVSA-N 406.483 0.010 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1831437626 DXXMLWFPDWGTSI-IPJJNNNSSA-N 423.554 0.907 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427958 JAUBFHPQPWHCQB-MRXNPFEDSA-N 417.554 0.679 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1833429274 HZEGWCTXLFLPNZ-UHFFFAOYSA-N 414.550 0.984 30 20 HCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1833662385 XLPDAKLHGWXBCO-OAQYLSRUSA-N 413.478 0.521 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cscn1)CCO2 1834256937 YASFCTZBJZUTED-HBRDKIMXSA-N 418.475 0.925 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccn(C)n3)CC2)CC1 1834846099 BMAPICSNVFEMMF-QGZVFWFLSA-N 415.538 0.573 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nc[nH]c5c4)C3)C2)CC1 1835341733 BYNGJELFVFVHTN-NRFANRHFSA-N 409.446 0.937 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1835673071 VJUUALWONYLXHL-IBGZPJMESA-N 405.455 0.026 30 20 HCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1F 1836233024 IOTXOCBTMZBWDU-HXUWFJFHSA-N 420.441 0.849 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836972271 UHFPFRUTUUNVFF-IERDGZPVSA-N 418.494 0.948 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nncn5c4)CCO3)C2)CC1 1837015282 NBSYFZXJUDYCND-HXUWFJFHSA-N 410.434 0.103 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837785775 WBDYTTNUSDAYKE-MDAVEZEFSA-N 420.466 0.614 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838397774 CTWPWRKHSFQTQJ-DNVCBOLYSA-N 408.455 0.854 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838832555 SLLINQMAMDGWKB-NRFANRHFSA-N 416.478 0.749 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1839173252 GSGRBYHWNKEXPT-JBYIUTFZSA-N 420.506 0.998 30 20 HCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)COC1 1839775630 MUTOBAPXDWTGOG-KXBFYZLASA-N 400.541 0.824 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1839807190 OOKFKQUTROEUBD-SFHVURJKSA-N 422.279 0.476 30 20 HCED Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1840044996 LXSDNOJAJQDANM-FQEVSTJZSA-N 420.849 0.806 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSCC(=O)O)CCO2 1840191435 YEDOQAWAXMVGKM-KRWDZBQOSA-N 418.537 0.180 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)CCSC)CCO2 1840195761 DNFIYZNXKFODRT-QAPCUYQASA-N 418.581 0.476 30 20 HCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)OCC 1840283343 YAYPOOSVOVTZPE-OAQYLSRUSA-N 423.510 0.926 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840592435 LUJLRZFIRIGWKX-NRFANRHFSA-N 410.511 0.731 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)CCc2cccc(C#N)c2)C1 1841259911 HPOUKWNDTQSUKM-GOSISDBHSA-N 414.462 0.759 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414148 FABAUSBOSRHFNA-OAHLLOKOSA-N 414.528 0.416 30 20 HCED O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314202 IWHZOXOJMXGQAD-RGVLZGJSSA-N 422.507 0.328 30 20 HCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1845221963 CZMBYPOACOHMMY-AWEZNQCLSA-N 406.483 0.769 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(CC#N)cc2)C1 1845411132 LKQDBHVKULVMFG-HNNXBMFYSA-N 418.519 0.897 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412748 XZLQGAVYROKUPQ-ORAYPTAESA-N 413.540 0.880 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1847809237 BZDQRLIVFQXJKX-JQFCIGGWSA-N 407.492 0.892 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 7872418 KMGAAEJLXSAOIH-CYBMUJFWSA-N 412.464 0.564 30 20 HCED N#CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 18662408 NIJHCPGYRFYXJC-UHFFFAOYSA-N 404.448 0.532 30 20 HCED CN(CC(=O)N1CCN(c2ncccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 24433620 QIVQNJXLYJNQSU-UHFFFAOYSA-N 400.464 0.318 30 20 HCED C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29254518 MHPVCHDYHBKDMD-ZFWWWQNUSA-N 400.483 0.658 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 409538465 YFUWGMITUDIBBM-SFHVURJKSA-N 414.503 0.895 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1 409556865 KAQBFUGLFCOUBS-UHFFFAOYSA-N 409.512 0.517 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410201917 YXSNNPASTWBTOV-CVEARBPZSA-N 423.543 0.208 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)C1=O 440256420 CDSLLODDMUPIFW-CJNGLKHVSA-N 402.451 0.844 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 443277119 BMQVLUAUOJEUGA-UHFFFAOYSA-N 423.516 0.958 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 463732939 ZMNJQZGKXSSPFB-KBPBESRZSA-N 410.492 0.929 30 20 HCED CN(CCCNS(=O)(=O)c1ccc(C#N)nc1)S(=O)(=O)c1ccc(C#N)nc1 469098836 ZIWKDJWTUKPENG-UHFFFAOYSA-N 420.476 0.209 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 469971329 DUZQWNQBCLYXJB-HUUCEWRRSA-N 402.499 0.916 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C#N)c1ccc(F)cc1 476748905 UEGWYSJBALMFEE-MEDUHNTESA-N 404.423 0.972 30 20 HCED C=CCN(CCOC)C(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 479750030 VISQLIXRVFRZJU-UHFFFAOYSA-N 402.439 0.692 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C(=O)C2CC2)CC1 480469143 KFNWGMNOYTVMHM-CYBMUJFWSA-N 404.492 0.742 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(N)=O)Cc1ccccc1 482151464 STVIZPKRVVKOKX-AWEZNQCLSA-N 400.460 0.739 30 20 HCED COC(=O)CC1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 488003992 VKZLISNRQGPTTK-UHFFFAOYSA-N 409.464 0.721 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(CC(C)(C)C)nn2C)CC1 491100175 IEBRFLLBRIDKHU-UHFFFAOYSA-N 404.515 0.394 30 20 HCED COCCn1cc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cn1 506853197 CHKXMWZBWNQZKH-UHFFFAOYSA-N 411.397 0.981 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)cc1 511363895 ZZVJHXQKHDXLHW-UHFFFAOYSA-N 403.439 0.250 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCOC1 511658846 MLMIJDQAZAATSM-YSVLISHTSA-N 423.491 0.700 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2(C#N)CCOCC2)CC1 522644263 NARHNYRWXMSZSI-UHFFFAOYSA-N 406.508 0.559 30 20 HCED CN(C(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC1 522787331 ZXVVGBKTTPZZIG-INIZCTEOSA-N 422.532 0.701 30 20 HCED C[C@H]1CN(C[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 532642490 NNFHPLNRLDWCDY-ZIFCJYIRSA-N 422.551 0.335 30 20 HCED CCOC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 534019343 SIMLSTARQSGDDB-SFHVURJKSA-N 423.491 0.653 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)NCC)C2)c1 536131877 UJANHBZOQLBNHW-HNNXBMFYSA-N 401.510 0.305 30 20 HCED COC(=O)c1ccc(-c2nnn(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)n2)cc1 537070620 KYJGOTXXAWHBMZ-QGZVFWFLSA-N 411.466 0.819 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCC(=O)N1CCOCC1 553435058 FAPSZRBFTJFMHK-UHFFFAOYSA-N 402.270 0.848 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 557011538 JPKRXQPPJWWWKQ-CQSZACIVSA-N 424.461 0.808 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 558149849 DTORSUMQQDSJLL-UHFFFAOYSA-N 403.468 0.256 30 20 HCED CN(C)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 558496614 IRZPVNOJKKTROG-UHFFFAOYSA-N 415.479 0.953 30 20 HCED Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 559872936 CPAYYLMTEBBNAZ-SFHVURJKSA-N 408.462 0.442 30 20 HCED Cc1ccc([C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)N(C)C)cc1 560307069 NVQOSMFFFMRSBK-SFHVURJKSA-N 411.510 0.982 30 20 HCED Cc1cc(Cn2nnc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2C)no1 560557723 XDGFRFOAHMEPMY-LBPRGKRZSA-N 407.438 0.944 30 20 HCED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 564029531 MOOAFLGQVZFDTP-CQSZACIVSA-N 403.414 0.971 30 20 HCED CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCn1cnc(C#N)n1)C2=O 566379451 QRXHWRDZZLYUQH-UHFFFAOYSA-N 401.471 0.793 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 569948433 MRFRGPKEOQYLPP-UHFFFAOYSA-N 404.430 0.977 30 20 HCED CN(C)CCn1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1=O 570735637 VERYSPXJKFAWGI-UHFFFAOYSA-N 403.464 0.199 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)ccn1 570979668 HYNJHOFMSTWNDX-CYBMUJFWSA-N 400.416 0.987 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2c3ccccc3C[C@@H]2C)CC1 575344338 BDRZJMQSJDVCHP-KRWDZBQOSA-N 413.522 0.000 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)c2ccc(F)cc2F)CC1 576968795 KTLIPPRZGBJWSE-CQSZACIVSA-N 408.449 0.631 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 578180129 RAXZOCIYCVZDKR-AWEZNQCLSA-N 401.442 0.791 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 578216410 KHFLSRVWQCBUNJ-GOSISDBHSA-N 401.463 0.717 30 20 HCED CN(C)C(=O)CC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 584143027 FMHAFMDXFXLHEU-UHFFFAOYSA-N 409.450 0.794 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 589478107 XPRSKUCQMYFZCG-SFHVURJKSA-N 421.523 0.616 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c1 603504434 RCGVOXJHDRGAGQ-MRXNPFEDSA-N 420.491 0.905 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1 605133575 KVNDVJWWKMLBBE-INIZCTEOSA-N 403.464 0.420 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 605431010 DVCPTLNLLNZCCS-MRXNPFEDSA-N 401.511 0.541 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 609336587 BIGAOCVPIQDBBT-UHFFFAOYSA-N 410.522 0.891 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1 645624620 ZXOJUGJEPSCTAV-RHSMWYFYSA-N 406.508 0.594 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 682343451 RQAZDGJGVFBWDK-UHFFFAOYSA-N 407.496 0.279 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1 729257133 SRNSPZHMOOSKJS-UHFFFAOYSA-N 416.547 0.697 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 732467418 VBFJUPLDQHSXHR-ZCXUNETKSA-N 414.422 0.953 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCn2cnc3ccccc3c2=O)cc1 735333372 YSZCNLPTSXYZIK-UHFFFAOYSA-N 412.427 0.790 30 20 HCED COc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)N(C)C)cc1OC 746343382 FFSRWIWHZRAWCS-HNNXBMFYSA-N 400.439 0.781 30 20 HCED CN(C(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1)C1CCCCC1 746395079 JPFAFXMNHZXAKN-UHFFFAOYSA-N 415.498 0.280 30 20 HCED C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1sc2c(c1C#N)CCC2 748429603 ZIOJHRKPNUNTJF-SECBINFHSA-N 423.476 0.523 30 20 HCED C#CCN1CCN(C(=O)Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)CC1 749873845 GYUKTOGIXJNKBH-LJQANCHMSA-N 409.494 0.024 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)NC[C@H]2C1 752754767 SUZUITPZQLTWJI-ZFWWWQNUSA-N 419.507 0.520 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4c(c3)nnn4C)CC2)o1 754908244 YJHJEDWKIRIAFU-UHFFFAOYSA-N 410.394 0.037 30 20 HCED N#Cc1c(NCC2CCN(S(=O)(=O)C(F)F)CC2)cccc1S(N)(=O)=O 755004637 LVYWTVBORFUAMM-UHFFFAOYSA-N 408.452 0.882 30 20 HCED CC(C)Cn1c(N)c(C(=O)COC(=O)c2c(F)cc(C#N)cc2F)c(=O)n(C)c1=O 756587688 ABQVHYCQYLULDI-UHFFFAOYSA-N 420.372 0.975 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 758775679 KWJWCTIXYBOKSH-KGLIPLIRSA-N 415.516 0.422 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 761029907 TVVOXYJYUORROU-LBPRGKRZSA-N 402.879 0.891 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)n1 762010274 GFBUHRXSVUVYRP-INIZCTEOSA-N 410.434 0.382 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cn1C 762303662 PRWYJRQBDGLURG-INIZCTEOSA-N 403.464 0.479 30 20 HCED C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCO1 769241402 OBYASJVABJVLBG-STQMWFEESA-N 409.464 0.342 30 20 HCED N#C[C@H](C(=O)c1ccc(-n2cnc3ccccc32)nc1)C(=O)N1CCS(=O)(=O)CC1 775244480 LNBOSSIAMTXJFK-OAHLLOKOSA-N 423.454 1.000 30 20 HCED C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@H]1CCCO1 775563120 UYBYRVXJAMJBFL-ZWKOTPCHSA-N 406.508 0.925 30 20 HCED C#C[C@@H](NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCCO1 776263411 MTMKHCILZWTARZ-QZTJIDSGSA-N 421.519 0.744 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 780107275 KNYJFEWDURUVDM-KRWDZBQOSA-N 405.476 0.259 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 781598959 GDUNLORUZVLYGQ-MPTQWLOMSA-N 421.406 0.055 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)nc12 783812016 VRYOKLWDWWGCBQ-CYBMUJFWSA-N 405.370 0.869 30 20 HCED CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 784211865 LHTGRNMBGVBGOX-HUUCEWRRSA-N 422.507 0.321 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 784866382 YKMZBYFRBXOUGO-UHFFFAOYSA-N 416.503 0.046 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 785065061 IYNQMIVISMDDNE-HXUWFJFHSA-N 416.409 0.613 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C1CCCC1 785136205 VVAFBSWGDPDNLP-HOTGVXAUSA-N 415.494 0.862 30 20 HCED CC[C@@H](NC(=O)[C@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787039146 QCDXHOMYUCTVCM-HUUCEWRRSA-N 422.445 0.410 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)CC1 789429171 CFVOFHJHEGYYGI-UHFFFAOYSA-N 414.462 0.499 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1 798263576 AZKMLWAOARRCIV-UHFFFAOYSA-N 402.480 0.159 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 798338917 JTJQURMMXYIPDZ-IINYFYTJSA-N 412.443 0.962 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 803139971 GNPVTYHTLKVWMP-UHFFFAOYSA-N 407.536 0.874 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 806190842 HZVLYGZKQRWZTP-UULLZXFKSA-N 404.536 0.886 30 20 HCED Cc1ccc(N2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 807588189 UGPYSHGAPWZBOH-KRWDZBQOSA-N 406.446 0.712 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)[C@@H]1CCCO1 809307970 IJYDBMIQXSICIT-ULQDDVLXSA-N 411.524 0.136 30 20 HCED CON(C)C(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 812710880 KHCDKYRWLHKDGL-UHFFFAOYSA-N 408.480 0.374 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2c(Cl)nc(N)n2C)CC1 814851311 QUMGEHWONFKYIR-UHFFFAOYSA-N 412.907 0.433 30 20 HCED NC(=O)NC[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918593621 WTQGERNUKSSSIM-ZDUSSCGKSA-N 407.496 0.412 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCNC(=O)C1 999122484 KHNZSVZZLXGTIF-WDHIOAMHSA-N 404.511 0.038 30 20 HCED CS(=O)(=O)N1CCc2c(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cccc21 1116585254 UVWLTSQWXBOOPK-ZCXUNETKSA-N 404.448 0.864 30 20 HCED N#Cc1ccccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 1248693523 SYGHPDKOIRKSFK-FQEVSTJZSA-N 424.438 0.757 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN(C)C(C)C 1288159508 FLAIQOHCXONTIN-QGZVFWFLSA-N 402.547 0.933 30 20 HCED CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1296222831 ZGIUATSEPUNSNX-AWEZNQCLSA-N 403.487 0.405 30 20 HCED Cn1cc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 1296264855 MYYKCUJBQZBHDZ-UHFFFAOYSA-N 416.507 0.152 30 20 HCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1301003441 KGXGIGNVGUOPLA-OAHLLOKOSA-N 418.523 0.880 30 20 HCED COCCN1C[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)CC1=O 1316123241 PZOZFJULZNCMLR-HOTGVXAUSA-N 417.514 0.491 30 20 HCED CC1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](CO)O1 1451817460 WVXFCFRHJCHIHF-KRWDZBQOSA-N 421.519 0.957 30 20 HCED COC(=O)N1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1517699809 IOSMLSMISBLGAZ-HZPDHXFCSA-N 404.471 0.989 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 1611444452 RADQVDPJYBRKNS-MRXNPFEDSA-N 404.492 0.840 30 20 HCED Cc1nccn1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1612448688 NIEUEMGUVNKRSI-QGZVFWFLSA-N 411.514 0.798 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1616261675 IKGIICNCJVPDAI-SJKOYZFVSA-N 414.413 0.040 30 20 HCED CN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1664042489 KTVABDWFVMEIMU-UHFFFAOYSA-N 404.414 0.972 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1691008661 KODTZFCAAOXDQD-LSDHHAIUSA-N 423.543 0.420 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C)C1 1696502572 UIHQYZRJWYAHPR-AWEZNQCLSA-N 404.496 0.981 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCSCC3)CC2)c1C#N 1707807950 SIKCQTCCEIKNHY-UHFFFAOYSA-N 415.571 0.876 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1741371836 MSKTZLDCFGYHNY-MAUKXSAKSA-N 408.528 0.128 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C(N)=O)nc2)c1 1750382005 NNLZRVFUGFLKBS-UHFFFAOYSA-N 421.486 0.928 30 20 HCED CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751003675 IVURUVAAOUQJAU-MRXNPFEDSA-N 409.560 0.906 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098233 DFDKQVKGAVGEJU-UJPUAUKLSA-N 422.526 0.830 30 20 HCED CN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1779099379 VPBQZQYMFWEOFM-YVPFWOTMSA-N 422.526 0.687 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780180624 JDCXMOMUDVTSSF-SOIKWTOOSA-N 413.478 0.705 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2)C(F)(F)F 1783204405 WATZEFQBJFSVIR-INIZCTEOSA-N 402.373 0.991 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1Cl 1783567278 SMWCFBVJMNASCM-IBGZPJMESA-N 401.806 0.743 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCc4ccoc4C3)[C@H]2C1 1784235783 PHFBYLYVXVWJDP-OVWQWFNUSA-N 400.431 0.452 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1784474272 GQBSQWOJSMKHHS-HOSILWTGSA-N 405.407 0.819 30 20 HCED COc1ncccc1CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1785313515 MCRTUMGEQOYTMN-ULQDDVLXSA-N 415.446 0.091 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)COCCNC(=O)OC(C)(C)C)CCO2 1785428447 YGHVCNKDJLOCLF-NRFANRHFSA-N 423.510 0.771 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)nn3C)[C@H]2C1 1786027314 GFPUOKWZOVAUPF-UOVPBQLFSA-N 404.511 0.895 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)C1CCOCC1 1786611905 GHUZHGZSJLUUAJ-UEQWQKHTSA-N 423.510 0.922 30 20 HCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCNC3=N)[C@H]2C1 1786840456 JBOSIRXJIJYQNM-BZSNNMDCSA-N 403.527 0.574 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21 1786857501 RQTDPIRCTJJZRH-ZVZYQTTQSA-N 416.478 0.515 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnn5c4CCC5)C[C@@H]32)c1 1789346529 YRTVPJRBZOUWMY-QOKNQOGYSA-N 408.462 0.936 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1790831994 KQRAXYWSTWWTSC-XUXIUFHCSA-N 405.417 0.857 30 20 HCED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C[C@@H]21 1790871513 BHEYPIZZESSSSI-UFYCRDLUSA-N 412.490 0.607 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OCC)nn1)C2 1793344800 KYBPUNSUFZRHOZ-AFIMGQEJSA-N 402.451 0.117 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)c1ccc(OC)cc1)C2 1793353765 OVLHVHDAABLZEV-OKHRCBHESA-N 418.490 0.909 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)O)C2 1793600158 WNNDHGAAHXRPAL-QMHWVQJVSA-N 411.499 0.426 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793804251 WODBMMBWYKPIAU-LJCCNALRSA-N 422.526 0.780 30 20 HCED CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cc1 1795083047 GSZYATWMNSJNED-CCWDJLKJSA-N 405.476 0.136 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795598820 AEWUYNGENHBVPR-DLUMSKLASA-N 415.494 0.570 30 20 HCED CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2)C(=O)O 1796094683 XTPQPQQZXXNTJA-YYIAUSFCSA-N 414.462 0.638 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1Cc2ccccc2CN1 1796321743 CAWGOXFYFNQGBU-JDCPMNFLSA-N 413.518 0.882 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ncccn2n1 1797380894 ZEIJDJXUNIPUDF-CXHZTBPHSA-N 413.478 0.506 30 20 HCED O=C(/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)NC1CC1 1797612626 RKXVWXITZNKNLX-RKHDGKPRSA-N 407.470 0.463 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@](C)(O)CC(=O)O)C2 1797652364 RBSUAPIRNDEJON-GXNYLJPESA-N 408.495 0.960 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)nc1O)C2 1797710871 ACCZEDILSIEODD-YALNPMBYSA-N 403.479 0.872 30 20 HCED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cc(C#N)c[nH]3)cnn2c1 1798692668 WFTUURCKVHOUFE-JLVBRIDZSA-N 419.445 0.755 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799639074 FZRZMEDWONVZFR-YRPNKDGESA-N 412.490 0.871 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)NC=O 1800099752 PUVPWXYUYMCOSV-ZOFXXKQRSA-N 420.510 0.676 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(N2CCOCC2)c1 1800502064 MZGWFLKHGAZUSJ-GGPHIMKMSA-N 411.458 0.863 30 20 HCED COc1ccc(Cl)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1 1800778544 HEGOJJUVCRDYOG-KSPBDQMDSA-N 406.822 0.640 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)NC(=O)CO3)C2 1800984605 AWZCRQJBSQNESX-MMPOEDRJSA-N 405.476 0.539 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)c1ccccn1 1801464539 GORZNEQUKBNGIR-YHOXAOFOSA-N 412.490 0.633 30 20 HCED O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1807681722 HDLIFTPETSNUSQ-MKQXIXSSSA-N 424.509 0.851 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)[nH]n1 1814435786 CGNKILDYUKREHE-DQOKEGCPSA-N 414.466 0.539 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1819710020 OMFBKZWMCHTDMH-ZWNOBZJWSA-N 405.484 0.315 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)n[nH]1 1820749641 KECSLJWJPDULQK-BPUTZDHNSA-N 417.514 0.406 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN(CCO)CCO)CC2)CC1 1826684707 JRBYWTTVXDVBSS-SFHVURJKSA-N 406.527 0.196 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2)C(F)(F)F 1829829833 FNYQUABQULDQOX-WMLDXEAASA-N 418.368 0.888 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063866 ABQCFCURSSJDQR-HRAATJIYSA-N 416.478 0.855 30 20 HCED Cc1cn(CC(=O)N2CCCC[C@H]2C2CCN(C(=O)CC#N)CC2)c(=O)nc1O 1832773129 AUVRERMOVZFUIQ-INIZCTEOSA-N 401.467 0.791 30 20 HCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)s1 1833017724 ZZAWCAYUNNPXTJ-LJQANCHMSA-N 421.523 0.785 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)CC1 1833477162 VMCRVQBETQSUAK-HZPDHXFCSA-N 408.543 0.674 30 20 HCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1833492382 RVMZYKHCQLWHMF-GOSISDBHSA-N 401.573 0.521 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(C)n3)CCO2)C1 1834115376 QUVBRCHVCNPYBQ-OXJNMPFZSA-N 406.483 0.390 30 20 HCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1)N1CCN(C)CC1 1834607112 HSRJKUOCTGXISQ-SFHVURJKSA-N 418.586 0.498 30 20 HCED CC(C)(C)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098412 KDOWXAQLIAGXKE-HSZRJFAPSA-N 413.518 0.883 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cn4ccccc4n3)CC2)CC1 1835301067 ZXTRKCWTURFKGJ-UHFFFAOYSA-N 423.473 0.608 30 20 HCED COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1835668342 ZUMAACSIMIVHBQ-FQEVSTJZSA-N 410.515 0.150 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)COCCO)CC3)CC2)c1 1836170335 GSLUQTFGHPVXPN-UHFFFAOYSA-N 403.483 0.080 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1837395245 VELFFQIMJLTRDR-DNVCBOLYSA-N 409.508 0.786 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837395286 WEPXESAXZOWHRW-UTKZUKDTSA-N 403.479 0.725 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839518875 KLWLLNSACITEOK-OAQYLSRUSA-N 416.478 0.539 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840585175 AXEVCFJFJNFIRC-LVCYWYKZSA-N 408.495 0.298 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844347875 IAXYXURTRBBODW-VEVLKRQGSA-N 404.471 0.647 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc(-c3ccc(O)nn3)cc2)C1 1845550575 KOIWROCFEHFRPS-UHFFFAOYSA-N 406.398 0.754 30 20 HCED COCCCn1c(SCC(=O)NCC#N)nc2cc(C(=O)OC)ccc2c1=O 110825858 ZJSZQONJKGYDEN-UHFFFAOYSA-N 404.448 0.951 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 409543778 HXSMOJYNBYGLKJ-HNNXBMFYSA-N 400.526 0.719 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1 409584880 BTWXYWIINIUMID-UHFFFAOYSA-N 416.525 0.523 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 409594917 JRRDJVNBDKIRKE-UHFFFAOYSA-N 421.589 0.594 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(Cn4cncn4)CC3)n2)cc1 427508018 XBFXGBIWKLAKOL-UHFFFAOYSA-N 419.449 0.667 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)Cc1ccc(O)cc1 427946017 SXFOVFVPRWVUPZ-CJNGLKHVSA-N 403.460 0.650 30 20 HCED CO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)C1 441358332 PKFUMODFNSLLKA-WMZOPIPTSA-N 420.535 0.890 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1C 442349607 LROMARYZBGCPCI-JTQLQIEISA-N 404.452 0.093 30 20 HCED COCC(=O)NC1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 442546023 VCOVTIYIBIVHFQ-UHFFFAOYSA-N 414.340 0.411 30 20 HCED Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)ccc1C#N 443912215 YNCCOOYBFQZWNC-UHFFFAOYSA-N 410.477 0.691 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)n1 444500449 BDMDAPMOYPPBSZ-UHFFFAOYSA-N 409.855 0.979 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 447200458 PHKLKKWUEPMCBD-AWEZNQCLSA-N 418.516 0.525 30 20 HCED CNC(=O)[C@@H](NC(=O)CNc1nn(-c2ccc(C#N)cn2)cc1C)c1ccccc1 460759142 PJKCXUCVUHBOPT-IBGZPJMESA-N 403.446 1.463 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461744280 FLRZOXIVTCLMIY-LLVKDONJSA-N 400.424 0.178 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 462003247 NSXHYCPUNGLOOH-HNNXBMFYSA-N 417.495 1.381 30 20 HCED C=CCOc1cccc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 466409239 LKBNHOBAYZTIMA-UHFFFAOYSA-N 400.439 0.746 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@](C)(O)CN1CCOCC1 467510479 KQHSXFMTCQGDIC-FQEVSTJZSA-N 400.483 0.350 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 474791466 IGVZDIKXTVASIG-HOTGVXAUSA-N 407.540 0.367 30 20 HCED CCN(CC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 475600985 HXYYFVVMLPHLJZ-CYBMUJFWSA-N 420.413 0.990 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481234276 YKDUQFWYHYICFB-BBRMVZONSA-N 424.548 0.995 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482803851 GEYFKLAPCPFRHZ-GXTWGEPZSA-N 418.479 0.094 30 20 HCED N#CCCC[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1 487469096 FELVGAREJALDMF-HNNXBMFYSA-N 403.464 0.943 30 20 HCED Cc1c(C(=O)[C@@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)nnn1-c1ccn(C)n1 495520669 HJTGQTIULRIKHD-CYBMUJFWSA-N 415.421 0.732 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccn4ccnc4c3)C2=O)cc1 499674526 FPXOSQJWZWCYNX-GOSISDBHSA-N 416.441 0.739 30 20 HCED COCCc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)n1 505273042 JBONSYSLUUPDMW-QGZVFWFLSA-N 424.461 0.731 30 20 HCED COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508309352 QQENAEOJCFNWAN-UHFFFAOYSA-N 400.395 0.478 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1 509405870 UWHDPFUJAVBRFG-GFCCVEGCSA-N 419.529 0.467 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 512975630 OCBDRHAZBRXLRF-GFCCVEGCSA-N 408.397 0.853 30 20 HCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cs1 513041341 LIZKKRVZTCGRFJ-UHFFFAOYSA-N 416.528 0.625 30 20 HCED CN1CCN(C(=O)CCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 513973144 PYEOXQZORCLXCL-UHFFFAOYSA-N 405.524 0.029 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3cnccn3)CC2)cc1 525935194 NBPKKLNEKUATSA-UHFFFAOYSA-N 400.464 0.607 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n1 537002015 PZQRPXGWADLJLF-ZDUSSCGKSA-N 422.453 0.449 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1 537818912 JRZIRFPAAHHEBN-HNNXBMFYSA-N 408.480 0.824 30 20 HCED C=CC[C@@H](CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 539329135 CLLHLJCJDRTODQ-ZIAGYGMSSA-N 414.480 0.910 30 20 HCED Cn1c(Sc2nnnn2-c2ccc(Br)cc2)c(C#N)c(=O)n(C)c1=O 542262763 KINFFZPZFRSJEO-UHFFFAOYSA-N 420.252 0.845 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cc1 545164128 MHPZIMOGUHHBNA-NRFANRHFSA-N 400.479 0.622 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 549698067 DZLPJXDFDZTUFA-AWEZNQCLSA-N 408.532 0.525 30 20 HCED CCC[C@@H](C#N)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 555374242 DDAAXSFHNWGFEJ-AWEZNQCLSA-N 401.510 0.987 30 20 HCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 558157694 CWSKABSHLLCLCI-HZPDHXFCSA-N 402.503 0.172 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 570589245 NZTUOEJRLFKWKT-SECBINFHSA-N 423.903 0.219 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)CC2)c1 572682066 URSNNKMRCFAHMG-OXQOHEQNSA-N 415.519 0.773 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cnccc2C#N)CC1 572908414 FAFCRSJLSATPOQ-OAHLLOKOSA-N 424.486 0.841 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 573952864 SADYIYGIYLRHCQ-KRWDZBQOSA-N 413.478 0.878 30 20 HCED COCCOCCCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 575823884 XLZLCFSCGPCUIW-UHFFFAOYSA-N 406.458 0.905 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 578050205 RLDZDXDADBEHME-DAXOMENPSA-N 400.483 0.718 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1=O 584853197 ZYNJJVUCXWPTAD-UHFFFAOYSA-N 410.434 0.574 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CCCN(Cc3ncon3)C2)cc1 588843633 YLMVOHHEROVBHL-QGZVFWFLSA-N 417.491 0.884 30 20 HCED CN(C)CCOc1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccn1 589469802 WNAHXUXSZYBRCB-UHFFFAOYSA-N 417.491 0.488 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O 589697351 FSDUWCPBTLXRPE-UHFFFAOYSA-N 412.446 0.693 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 589895686 VQHVWKANQNGRIK-YWZLYKJASA-N 411.466 0.505 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)cc1 592355633 CVCBHBCRZVLMHV-UHFFFAOYSA-N 410.478 0.619 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCN3C(=O)CNC3=O)C2)c(F)c1 609467270 WWEVAYZATUZJPK-AWEZNQCLSA-N 402.430 0.907 30 20 HCED CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC1CCN(CC#N)CC1 611182736 PGBVABWRNUGJPU-UHFFFAOYSA-N 416.525 0.723 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2ccn(CCC#N)n2)cc1 611645202 YQSRJNZWHHRCIT-BBRMVZONSA-N 419.463 0.568 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)cc1 615646000 RBKBJAOICFKMIG-LJQANCHMSA-N 424.498 0.856 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OCC)cc2)CC1 670756835 PFZSOQCLKSHMLJ-INIZCTEOSA-N 402.495 0.709 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccccc3C#N)CC2)c1=O 725775111 SNLNFKAWGMKTGD-UHFFFAOYSA-N 408.462 0.195 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 726319347 GXVYDHVIXXFGFW-AWEZNQCLSA-N 420.470 0.935 30 20 HCED CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726400811 MDHHVKHZOBHTRY-GXFFZTMASA-N 405.480 0.378 30 20 HCED C[C@@H](CC(=O)Nc1ccn(CCN(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 742602477 SAXRUSUPFXTLSH-ZDUSSCGKSA-N 404.496 0.901 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)Cc1ccon1)/N=C1/NS(=O)(=O)c2ccccc21 747185666 ZJAPWOJNOFKPAV-SNVBAGLBSA-N 412.449 0.138 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)CC1 747278320 PMIAXSURDPODDV-UHFFFAOYSA-N 422.507 0.099 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)CC1CCCCC1 751143752 HFCJSUNOQUOIRR-UHFFFAOYSA-N 406.508 0.928 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3c(c2)nnn3C)c1 754183317 QCCYOBMAASYXCE-UHFFFAOYSA-N 404.430 0.850 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2COC(C)C)CC1 761028387 GSCVSRIESFNPIG-UHFFFAOYSA-N 422.551 0.313 30 20 HCED CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 764878313 YNLARSQKJIVMGX-IDJPSDCMSA-N 413.521 0.752 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCCC(=O)OC)c2=O)cn1 772277435 BAIJWRXUZMITFB-UHFFFAOYSA-N 414.487 0.888 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CCO)CC2)c1 778990706 KBNWYUPWSMBPIV-CJLVFECKSA-N 422.507 0.717 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800044332 YSGYWRGCMFRNOO-OAHLLOKOSA-N 414.553 0.737 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)CNS(=O)(=O)c3ccccc3N)C2=O)cc1 800234868 DVRUJVTWZIUAFZ-MRXNPFEDSA-N 414.443 0.767 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1 800963409 OAQSKBZNLLXJFB-UHFFFAOYSA-N 418.456 0.963 30 20 HCED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)O1 801086375 VSQNKDJEMDZWAW-RZFFKMDDSA-N 421.475 0.435 30 20 HCED CN(C)S(=O)(=O)c1ccc(NCCNc2ncccc2C#N)c(S(N)(=O)=O)c1 804375187 MEIWFBHQQCCYHA-UHFFFAOYSA-N 424.508 0.375 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2CC(N)=O)cc1C 808132767 PZFDJMZQOYRAKF-UHFFFAOYSA-N 420.494 0.736 30 20 HCED N#CC1(OCCOC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCOCC1 809085135 MUDOZNSTWSJXQY-INIZCTEOSA-N 404.398 0.878 30 20 HCED C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812387025 FVWFKMGUEGFBSB-CVEARBPZSA-N 403.508 0.947 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 814547915 KCKWPMWMWFTULW-CQSZACIVSA-N 416.434 0.413 30 20 HCED C#Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)c1 917314036 FCXLWKAZNVZULK-YJBOKZPZSA-N 405.520 0.962 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 1003088846 FRPOUDGYJIKCGM-OCABDXPQSA-N 403.483 0.201 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N2CCOCC2)CC1 1140533854 LLCUGQAPGURLHX-WMZOPIPTSA-N 420.535 0.938 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1 1208622534 HYJMVRBFAAOPHD-UHFFFAOYSA-N 403.439 0.843 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1211854991 WPHSTGZYXWVNMK-UHFFFAOYSA-N 420.538 0.031 30 20 HCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC(=O)N1C 1291223152 AYYFSHFXHFOKGP-GFCCVEGCSA-N 417.420 0.865 30 20 HCED N#Cc1cn(CCNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)c(=O)nc1O 1301213070 MCWNAWLNGQXMKE-AWEZNQCLSA-N 400.416 0.658 30 20 HCED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1=O 1547690978 FIYZKHCBPHPPGR-UHFFFAOYSA-N 416.507 0.920 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1620162629 SYNRYAFIFRHNSC-UHFFFAOYSA-N 407.521 0.820 30 20 HCED CCC[C@H](O)[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642392433 NPIQDRXDHKXOOQ-ROUUACIJSA-N 409.508 0.597 30 20 HCED N#Cc1cn(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1 1652866922 SIYQQZSVDPRNHS-UHFFFAOYSA-N 410.459 0.836 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1655408904 OWFRSPABEAVALU-UHFFFAOYSA-N 402.498 0.116 30 20 HCED CC(C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1691361633 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C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963403 GTFXBFINADFTJS-QKKBWIMNSA-N 414.437 0.832 30 20 HCED Cc1cnn([C@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1782515474 HZSGPDQQGVENLZ-JXXFODFXSA-N 402.451 0.354 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782552350 WRIYSJGFCPJYQC-LJQANCHMSA-N 400.366 0.005 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(S(=O)(=O)CC)cc1)CCO2 1783054434 FTQBMFAQBSXTLF-HXUWFJFHSA-N 404.488 0.486 30 20 HCED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1783143751 HJNZEGFSARPUBX-LJQANCHMSA-N 404.854 0.791 30 20 HCED C/C(=C/C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2)C(=O)O 1783156605 ZPSYWDRRBFLWQO-NFQIJGHRSA-N 420.510 0.813 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])cc1F)CCO2 1783562944 LFNSCCWJIXEJRB-GOSISDBHSA-N 405.338 0.265 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[S@](=O)CC)C[C@@H]21 1784503528 CCPRLFZZMREDJC-JKQTVCQTSA-N 400.541 0.716 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CNC(=O)O4)[C@H]3C2)c1 1784584103 VPWCTYGFECBPGN-CSFVBSKPSA-N 416.409 0.399 30 20 HCED CS(=O)(=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1784740224 AJCGZUXKZNCVKT-HXUWFJFHSA-N 419.503 0.365 30 20 HCED C=CC[C@@H](CC(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1)NC(=O)OC(C)(C)C 1785303621 AWDDIFOQVGANOJ-MGPUTAFESA-N 410.515 0.635 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCOCC3)C[C@@H]21 1786857408 OPIZRTFZQVNLIY-BZSNNMDCSA-N 406.527 0.675 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)ccc1F 1787222718 GVRLTBVNAZLJAP-QRTARXTBSA-N 412.425 0.651 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496054 QHBYWHFWMQDREW-MJDBTJCESA-N 407.496 0.072 30 20 HCED Cc1[nH]nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)c1F 1788601179 LTLBYDGZQKRFMJ-DTENWBQTSA-N 420.489 0.922 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 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30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(N(C)C)o1)C2 1793348992 WGALCQNTBQYWKB-JLVBRIDZSA-N 406.483 0.927 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1793349556 ZDQKXRNTVFECRQ-RMFSNUHRSA-N 409.527 0.281 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Cn1cccn1 1794206852 ANYAOQZWLQWNKQ-DFBDCSAJSA-N 404.511 0.682 30 20 HCED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)c(=O)[nH]c1C 1794310083 KLKWELXVFILLEK-OPVJXMOQSA-N 420.469 0.642 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1797713189 GAPGZLHBHBXCMK-XLKGFZLASA-N 417.510 0.440 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c1 1797784901 RPOIBCNDKLJRMY-XEMDLRDOSA-N 410.474 0.788 30 20 HCED NC(=O)c1nccnc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#Cc1ccccc1)C2 1799039351 BOLWPBZMULTGGK-BJWYYQGGSA-N 403.442 0.879 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1nc[nH]n1)C2 1799395710 HLJKSOPRAMVTAL-GUIRCDHDSA-N 410.500 0.287 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 1799482875 COBHKCXNKKUDNL-LJGDNWOOSA-N 417.418 0.542 30 20 HCED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)cn1 1799883357 AZAMTXZHLCPGOJ-JLVBRIDZSA-N 419.445 0.685 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H]1CC(c2ccccc2)=NN1 1800153048 KBEJOMOCTBZBLK-TWWGPRNNSA-N 406.486 0.756 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1800544661 JOMIBQNZRUVGFJ-GNXNZQSNSA-N 410.377 0.589 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1800717497 PXMMTPIOERDGQB-KMWNMMNJSA-N 417.506 0.856 30 20 HCED Cc1ncc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)s1 1801331162 KFRDMLDIZPPGIG-JLVBRIDZSA-N 419.551 0.866 30 20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cn3nc(C)sc3n1)C2 1802017932 OZXZIWLBZDYJPW-ZSBFGKGUSA-N 401.492 0.645 30 20 HCED N#CCCC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1806860373 IXSZDRWLCPMQKD-IIBYNOLFSA-N 409.446 0.706 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC=O)[C@@H]1c1cccnc1 1808372974 KLMUHORXEQBPPT-SUMDDJOVSA-N 416.478 0.731 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)CC1 1810351138 WODFSNANYZMXDB-LMMKCTJWSA-N 413.478 0.042 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)[C@H]3CCCS3(=O)=O)[C@@H]2c2cccnc2)CC1 1812495490 VZIDEHCDQCJIDP-ZACQAIPSSA-N 416.503 0.968 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(C(=O)O)ncn2)n[nH]1 1816156123 MSTPKSPJVLEKNK-ZDUSSCGKSA-N 412.362 0.292 30 20 HCED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)n1ccccc1=O 1820132689 ZKAXLLXTFWCWEQ-VXGBXAGGSA-N 414.443 0.566 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823116324 ABISKIGETCXHIQ-FZMZJTMJSA-N 404.496 0.920 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)CC2 1825014309 HKNITRQABXLZRL-UWVGGRQHSA-N 413.459 0.695 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825203544 BSBUOLLKHSJQSM-NWDGAFQWSA-N 420.491 0.701 30 20 HCED CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n(C)n1 1825666939 LKYXPSBSVVPWSO-NSHDSACASA-N 401.448 0.753 30 20 HCED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1826032877 JIQMWKNOBWOZHY-NSHDSACASA-N 403.464 0.410 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CC[C@@H](C(=O)OC)C4)C3)C2)C1 1829660890 JZKDBECKCCAFHP-YVHKJVDXSA-N 420.506 0.998 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1830063083 IGHWIFIRZJJYQG-OAQYLSRUSA-N 414.462 0.405 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1C1CC1)CCO2 1830501408 MICHTWQHKXPNFB-HMFYCAOWSA-N 420.506 0.998 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1830638382 NMBUJSXOBBWWFN-HXUWFJFHSA-N 403.483 0.952 30 20 HCED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)C 1831215995 DLDPNSLDTJUXCW-TZIWHRDSSA-N 406.479 0.444 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(COC)CC3)CCO2)C1 1831380800 PRHRWGQVYIOEBO-IIBYNOLFSA-N 410.511 0.443 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1831396334 JUEIHCGMTOOXQU-HRAATJIYSA-N 417.462 0.199 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832553088 JAFKYATYYLPEBC-DYESRHJHSA-N 419.478 0.329 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cn(C)nc3C)CC2)CC1 1833581043 IHKLPDGIOMKRBH-QGZVFWFLSA-N 415.538 0.952 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833836773 ULUKJCLJJHPAEL-KRWDZBQOSA-N 412.393 0.464 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 1834003423 JZRFKPKOMUKGQL-NRFANRHFSA-N 415.494 0.433 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3conc3C)CCO2)C1 1834337533 YGHCXCBVAJTOJO-HNAYVOBHSA-N 408.455 0.854 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834391347 VWQNLZNSLOXVTA-JOCHJYFZSA-N 423.473 0.604 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835113402 FMXCAFPQOJOCLN-GUYCJALGSA-N 421.567 0.937 30 20 HCED Cn1ncc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cccc21 1835342152 RSYFYMVXISRWRT-JOCHJYFZSA-N 423.473 0.947 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1835590025 WEELYEUDCBWWBP-FPXQBCRKSA-N 401.573 0.771 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835672764 MXGLNLGGHPHKPU-OAQYLSRUSA-N 417.510 0.377 30 20 HCED CCO/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682624 NKTLACKDIQNFHV-OJWOGGGRSA-N 408.499 0.275 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1835914391 PNBQULKDVGFOAX-KNQAVFIVSA-N 414.506 0.935 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837308465 WKUTZWNZAVVZQB-IERDGZPVSA-N 416.478 0.608 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1837440852 BBIHFQACBDWNFS-FUNKKEAFSA-N 405.455 0.216 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493807 XPDUJMMWQYWPQI-OXJNMPFZSA-N 410.536 0.460 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1838357956 OYJZWEBKSWSSPQ-LJQANCHMSA-N 423.510 0.853 30 20 HCED C[C@@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838409037 LISHTZVCCYOFRI-QLPFJNHISA-N 418.494 0.832 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838513359 MLAJGRFTVKOJQB-PIGZYNQJSA-N 423.520 0.475 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)c1 1838905987 KPVCOECMCRNGSF-OAQYLSRUSA-N 409.446 0.594 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839273660 XQXSBSIIAKUATC-IBGZPJMESA-N 418.406 0.674 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)cc1 1839361831 HSKSAGBHADYWSS-HXUWFJFHSA-N 410.434 0.255 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420296 AGOSIEYALGRRRW-NQIIRXRSSA-N 418.469 0.765 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1839496496 MTJMPYVRDCRSBQ-IBGZPJMESA-N 402.838 0.920 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839841243 NTKXXEYFNNXIBY-LQBOVUBWSA-N 416.522 0.620 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839871012 VDJCYMCTJVOJLD-HRAATJIYSA-N 407.511 0.571 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839878918 MJHQOTSFTZGRQG-IERDGZPVSA-N 409.527 0.960 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1)C(F)(F)F 1839892278 DOPULHSQSRQIPG-KRWDZBQOSA-N 416.400 0.766 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1)C(F)(F)F 1839894768 QUAUGRYMZBDOIB-BBRMVZONSA-N 417.388 0.414 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1C(F)F 1840162107 MJJGOPBJUMANFU-YVEFUNNKSA-N 418.466 0.975 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840209624 VUGSADOPXJCGDE-UTKZUKDTSA-N 408.495 0.176 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840343713 UZQUAHHRPNWFKY-ZABPZDLMSA-N 419.482 0.680 30 20 HCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CC1=O 1841917212 QVWFHGHUIPISJZ-QGZVFWFLSA-N 423.469 0.948 30 20 HCED NC(=O)c1ncccc1C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1842156641 IRQFHBXDRBSTPP-UHFFFAOYSA-N 410.474 0.696 30 20 HCED C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2ccc(C#N)cc2)CC1 23258899 KQTRTTZKBWQZPK-QFBILLFUSA-N 404.536 0.710 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 149409848 JUQOLHUAGJNTFJ-HNNXBMFYSA-N 408.480 0.848 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)N(C)C[C@H](C)C#N)c1 409502253 OOIPMJWSJHUNFO-GFCCVEGCSA-N 409.472 0.448 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cc(F)ccc1N1CCN(C)CC1 410138990 AMSZQGISAMDOJK-ZBFHGGJFSA-N 411.503 0.697 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2)o1 428780749 CNUFYOIMJZCSIQ-KRWDZBQOSA-N 421.461 0.923 30 20 HCED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433885419 NZHAPIIHRNDIPH-SNVBAGLBSA-N 402.270 0.534 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O 438763141 JDZFHVABVNGMAY-UHFFFAOYSA-N 412.288 0.780 30 20 HCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446523394 NZFIQCKMIKRMES-UHFFFAOYSA-N 415.494 0.330 30 20 HCED Cc1ccc(C(=O)N(C)CCN2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)NCC#N 447655467 BWIIBHWGALWSDA-IYBDPMFKSA-N 408.524 0.978 30 20 HCED Cc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)nc2c1c(=O)n(C)c(=O)n2C 461298346 DXUUBVFRSBEWHU-UHFFFAOYSA-N 416.401 0.645 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c(F)c1 463599539 NFLBTCLIWIZBJW-RWQQGDIJSA-N 412.421 0.508 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N 468648391 KQVONPJSMXRHAD-CRAIPNDOSA-N 414.528 0.274 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 478850898 FRJIKKJVEDZCGV-AWEZNQCLSA-N 401.492 0.022 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482285476 JJQKZGVKWCOPJT-INWMFGNUSA-N 409.464 0.404 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 485056236 PKPIYCJFXCYFBG-VBKZILBWSA-N 410.434 0.792 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 488959990 HAEYJQRZIMMBLD-QGZVFWFLSA-N 400.483 0.669 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 489201259 MFVVSRURNAWXCP-ROUUACIJSA-N 418.519 0.837 30 20 HCED Cc1nc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)o1 490083652 BJCUMNCSJJDXSV-SFHVURJKSA-N 409.446 0.739 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 498175800 FSHWKAOOCIBHBG-HOTGVXAUSA-N 406.508 0.599 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CNC3=O)C[C@]12C(=O)Nc1ccccc12 499273283 YVDYEQVMKWKLLP-YTEVENLXSA-N 415.409 0.741 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 499996887 NTRCRBCLCJGNSJ-GOSISDBHSA-N 420.535 0.238 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1C 504054146 ISLYWUJOOPDBHH-KRWDZBQOSA-N 423.477 0.113 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)NCC(=O)NCC#N)sc2c1CCCCC2 509018731 YAEBUOZQWXXMEH-UHFFFAOYSA-N 406.464 0.888 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 518841788 YYYSVOYTJYYPAA-ROUUACIJSA-N 405.543 0.582 30 20 HCED C[C@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1 521593717 MVJFSVMMQDASMD-JKIFEVAISA-N 400.435 0.625 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)CCN(C)C)cc2)C1=O 522257603 MDYNFHYDUVYEFU-UHFFFAOYSA-N 401.423 0.492 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 522718827 MFOUTKMZVGPBFV-QGZVFWFLSA-N 406.450 0.806 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 524452347 NBUOFIFZAHQRFC-HNNXBMFYSA-N 401.510 0.634 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(COC)c3)c2=O)cn1 525266112 VKJIFGWDNFOFHZ-UHFFFAOYSA-N 423.498 0.511 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 531161207 ONZPLBNBVAAADU-GFCCVEGCSA-N 403.870 0.961 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 534834398 TVIVSCRPQKMAKP-UHFFFAOYSA-N 405.409 0.761 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 551042277 AFGWGGDLFXSATK-AWEZNQCLSA-N 424.479 0.014 30 20 HCED Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 552873735 IWFLAAWFAVGRQI-HOTGVXAUSA-N 403.464 0.872 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 553164978 BHUNNSIXMTYGGG-UHFFFAOYSA-N 403.449 0.837 30 20 HCED N#Cc1ncn(CCNC(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 554297447 XNKVBSNRJDQDMX-GFCCVEGCSA-N 409.497 0.364 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C 556069054 MMCZYGJKLBHTTN-QGZVFWFLSA-N 415.473 0.813 30 20 HCED CC1CCN(C[C@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 569174724 BGKPBETXVXZOAM-OAHLLOKOSA-N 411.466 0.286 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1 574387636 IJKGYTADYFGKNG-QGZVFWFLSA-N 408.466 0.282 30 20 HCED COC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1OC 576004706 UEMQTZDZJQYIQA-UHFFFAOYSA-N 421.435 0.714 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 576006803 RXACMXJSSDRSID-UHFFFAOYSA-N 411.462 0.888 30 20 HCED COC1(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 588646996 ODJKJKACRMBFFZ-KRWDZBQOSA-N 414.462 0.087 30 20 HCED COCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 598912797 ZACBBQGHCRHAMR-AWEZNQCLSA-N 419.551 0.816 30 20 HCED N#Cc1ccc(NCC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 609522192 YYTBDBXFTPLYBK-LJQANCHMSA-N 420.535 0.708 30 20 HCED COCCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610798177 SDTSAKCYWKDLAA-AWEZNQCLSA-N 422.507 0.226 30 20 HCED CN1CCN(C(C)(C)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617045913 UWUPXKBOBXQSCL-IBGZPJMESA-N 412.538 0.984 30 20 HCED CC(C)NC(=O)CNC(=S)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 727272916 WDMCMNZHHTWHRY-UHFFFAOYSA-N 409.537 0.264 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1OC 729428292 BRDBJIAJMVFMGY-CQSZACIVSA-N 402.432 0.882 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 730232544 XZYRJODVCNPFFW-GFCCVEGCSA-N 408.480 0.851 30 20 HCED C[C@H](OC(=O)Cn1ncn2nccc2c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 732862880 KIKQXKDGCVHDEB-ZDUSSCGKSA-N 412.381 0.909 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sc(C)nc2C)c1=O 736586845 ISWSTVOHZWBVAM-UHFFFAOYSA-N 404.517 0.435 30 20 HCED COc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1F 751835739 FLGYWEZCSHTTAX-ZDUSSCGKSA-N 410.423 0.763 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC=C 758541786 HPXBEWAQAIFSNV-UHFFFAOYSA-N 421.526 0.896 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCc2ccc3c(c2)CCO3)CC1 770266991 VENHZVYKMJOVSP-UHFFFAOYSA-N 405.520 0.251 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 771742418 LEILXFPYFWNNCQ-UHFFFAOYSA-N 407.492 0.704 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C=C)c2)c1=O 772309982 CEQOVRORMKNAOU-UHFFFAOYSA-N 405.439 0.252 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2C)cc1 773210014 BLOVATXOXCKJND-UHFFFAOYSA-N 421.500 0.484 30 20 HCED C=CCNC(=O)CNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 777514681 CBWKPHVWDLQEGB-QGZVFWFLSA-N 423.267 0.635 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1ncon1 778951196 HEODHOIIMQHSQQ-ZDUSSCGKSA-N 405.436 0.488 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 781991476 TYDZYGZPCVNUIO-UHFFFAOYSA-N 405.476 0.710 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 785558164 GSJVJHRAWYZRMW-LJQANCHMSA-N 422.489 0.671 30 20 HCED C=CC[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)c1ccncc1 786662702 KPNSAOKRXRVMGR-QGZVFWFLSA-N 402.476 0.910 30 20 HCED N#Cc1ccc([C@H](OC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C(N)=O)cc1 786995133 HWCIGHFOBUPNHG-MJGOQNOKSA-N 414.462 0.341 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 803785371 YQBMNSRVQQZHLU-KRWDZBQOSA-N 412.468 0.607 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cnccc2C#N)C1=O 805715759 XTYWNTSGLQCIFT-HXUWFJFHSA-N 407.386 0.999 30 20 HCED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NN3CC(=O)NC3=O)cc2F)c1 807062139 NWNJKRUWUBWUIS-UHFFFAOYSA-N 411.349 0.798 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 808769666 ARDIHHWBYRHMJP-LJQANCHMSA-N 419.570 0.391 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[S@](=O)Cc2ccccc2)c1 810372546 FYMMRUKVGIVYBC-SANMLTNESA-N 405.501 0.902 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(N)n[nH]1 820018720 KCGRUSNBLHOCHS-LBPRGKRZSA-N 405.484 0.199 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 916691925 NHXVOFZFUJTTJA-XEMYWUMJSA-N 414.509 0.808 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 917896948 NFHSDSSSMVQTQL-UHFFFAOYSA-N 415.475 0.816 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 996974462 HWTYYJSPODEDRZ-NRKLIOEPSA-N 403.483 0.120 30 20 HCED CC[C@@H](C#N)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1141241838 MAPPCHIBUOQIBV-HNNXBMFYSA-N 407.496 0.301 30 20 HCED CNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1299251629 MHJKVBPMYUPAKS-INIZCTEOSA-N 416.507 0.824 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1311849997 HAPMGCKUDCNIKE-STQMWFEESA-N 402.455 0.287 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccnc1N1CCOCC1 1318719027 QIRYQQTWNAPUKX-FBMGVBCBSA-N 400.439 0.244 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(OCC(N)=O)CC1 1322556013 UCIRTCVMJOJSEM-UHFFFAOYSA-N 402.270 0.976 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3cc(Cl)ccn3)CC2)c1C#N 1324450867 CACNKXFRJXTMJJ-UHFFFAOYSA-N 401.858 0.727 30 20 HCED COC(=O)[C@@H](NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(C)C 1329997669 BGEBTLWCARZGIW-KDOFPFPSSA-N 401.419 0.768 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCCC2=O)cc1Br 1344060090 BWXPCPWKBCQJHV-NSHDSACASA-N 402.270 0.582 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(N3CCOCC3)c2)cc1 1450365105 RVIWFQQWJLNHRG-UHFFFAOYSA-N 414.487 0.990 30 20 HCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(=O)NC 1507786436 VRHWVEMVXXXQQF-NSHDSACASA-N 420.333 0.661 30 20 HCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1515098401 CJWTZNNJHGZXRS-SFHVURJKSA-N 409.494 0.864 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 1516659135 QVYONHZVFRZTJI-DUVNUKRYSA-N 419.459 0.378 30 20 HCED COCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1555569979 JBMBWQGJQYCQEM-RDTXWAMCSA-N 402.434 0.562 30 20 HCED CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1610295627 YHHNRPWTTRDEMX-INIZCTEOSA-N 410.479 0.448 30 20 HCED CCC[C@H](O)[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642392431 NPIQDRXDHKXOOQ-MSOLQXFVSA-N 409.508 0.597 30 20 HCED N#C[C@H]1CN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CCN1Cc1ccccc1 1667234640 JAIXJNPMCJKODB-ROUUACIJSA-N 411.549 0.851 30 20 HCED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1696585289 WYIHWEFCJCWZEC-SFHVURJKSA-N 409.494 0.816 30 20 HCED Cn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1696873551 LFLPFRKGOWVQOJ-ZDUSSCGKSA-N 404.500 0.487 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1698061046 OXWLHGMOEQRXBQ-OAHLLOKOSA-N 421.527 0.921 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1=O 1712486411 MBLKXBAMAYEBJZ-UHFFFAOYSA-N 411.466 0.200 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N(C)C 1741932251 ZPRRJVIAZVYWHH-DYVFJYSZSA-N 411.532 0.497 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)CCN1C1CC1 1770749528 ZTZVVSKRXNILOI-CYBMUJFWSA-N 417.424 0.293 30 20 HCED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)CCO1 1771538889 JDEKRICOMFDREE-LSDHHAIUSA-N 422.511 0.097 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N(C)C(C)=O)C1 1778103904 KMLUNNNELQKOGS-UVLLPENVSA-N 423.554 0.940 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778445727 PAIIUFILFSWJGU-IQTGRTGDSA-N 422.445 0.885 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778474597 WQVMILXJOJTFOB-NYPGBQQYSA-N 424.461 0.031 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccnn3CCOC)CCO2)C1 1778972740 WSRYNHNYUSJBKV-DYESRHJHSA-N 420.510 0.546 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ncccc3[nH]2)C1 1781211921 BKXZCSKLMGIYLW-DYESRHJHSA-N 410.430 0.778 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1781353483 QEOJIOYEKZDPFH-AUUYWEPGSA-N 410.471 0.006 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccnc2C)C1 1781553746 NVDXKSALHMDHJR-HGHGUNKESA-N 402.495 0.744 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1cnccn1)CCO2 1783106308 BPNKQDQKVIENKP-CKJXQJPGSA-N 415.494 0.637 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2)C(F)(F)F 1783205623 YXEFUFALMQUZPA-INIZCTEOSA-N 410.356 0.686 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(F)nc3F)[C@H]2C1 1783382821 GXFYFCDVUVMMEG-VRKREXBASA-N 407.417 0.991 30 20 HCED CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784365394 NRGJMOCWXKSPHQ-ZDMHMLHDSA-N 418.494 0.593 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ccncc34)C[C@@H]21 1784482604 ROINTACJXZSWAX-DNUAJFIVSA-N 411.462 0.590 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)n4cnnn4)C3)C2)c1 1784601065 BKUORJTXUDXWIJ-MGPUTAFESA-N 409.450 0.558 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1785575709 BUDDZTVRJYWJCB-AVYPCKFXSA-N 409.483 0.114 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC(=O)C(F)(F)F)[C@H]2C1 1788528894 CMLBVCWSULQXLQ-RFGFWPKPSA-N 420.384 0.110 30 20 HCED 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N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccno2)CCO3)cc1 1834147249 WPLRFYPLPDWQTD-NRFANRHFSA-N 410.430 0.859 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834187702 VKBKURBZSSXUHX-IBGZPJMESA-N 407.492 0.776 30 20 HCED COc1cc(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)nn1C 1834601161 XXIDDQLNMASKPR-UHFFFAOYSA-N 414.510 0.918 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CCOCC2)CCO3)c1 1835190532 IJMUJXALUNTYGE-FQEVSTJZSA-N 402.451 0.383 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1835361202 FLHUYPCNGXSYPF-NRFANRHFSA-N 424.461 0.641 30 20 HCED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1)C(F)(F)F 1836361163 HFSVJKHMQHOQIB-HOTGVXAUSA-N 418.460 0.399 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1837306312 ZUQYXIKYMPNQHK-XGHQBKJUSA-N 405.495 0.490 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1837562915 HIVVVTAOAOTHIX-LKQKOTCASA-N 401.423 0.192 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n(C)n1 1838038783 IFPXLPSLKQOGBE-HXUWFJFHSA-N 403.483 0.602 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838107970 LWACNJPATFMYJU-FQEVSTJZSA-N 412.402 0.636 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@H]4F)C3)C2)c1 1838584738 DEKSZHZWLRIILC-WAOWUJCRSA-N 417.437 0.995 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1C(F)F 1838705565 UYFCXYQYLOMPDY-IBGZPJMESA-N 423.420 0.960 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735205 YYTULGVTEFPEIF-NQYLQCIDSA-N 403.483 0.330 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)CC1 1838826756 YISRGRYVAKIPAO-SFHVURJKSA-N 403.395 0.297 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)C[C@@H]3C)C2)C1 1839175539 PCEOHWXQRCRDRT-ORYQWCPZSA-N 408.495 0.998 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1839419122 PAHJLWVXWNUWSJ-CPAJTMIGSA-N 417.437 0.538 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)CCO2 1839450416 MYGPXDKALPODRO-HXUWFJFHSA-N 416.434 0.364 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840014082 JEIUIJFABGUQAV-AVRDEDQJSA-N 420.506 0.320 30 20 HCED C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044103 LAXXMJLSXBHQHV-VGSWGCGISA-N 414.458 0.410 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4[nH]ccc34)C2)C1 1840159453 DRHCTTYKCUVVQM-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840181605 FTMQEMOVBOQVDU-RYGJVYDSSA-N 412.483 0.271 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840594429 UJVQLTJPEJLCCQ-MHRHTVJOSA-N 419.478 0.460 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1840840570 WTYDTEQWAZMANK-HXUWFJFHSA-N 402.451 0.359 30 20 HCED CN(CC(=O)N1CC2(CCCN2C(=O)CCc2cccc(C#N)c2)C1)C(=O)C(=O)O 1841260639 PCSJCOCILCFUTK-UHFFFAOYSA-N 412.446 0.237 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 48160979 KUISBHXQZBYCLI-UHFFFAOYSA-N 413.478 0.901 30 20 HCED CC(C)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 437965866 WQSYNAYIEAIPKZ-GOSISDBHSA-N 422.507 0.178 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 439539530 DIMNHXUMBBXNRY-CQSZACIVSA-N 407.496 0.370 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOC3CCOCC3)CC2)cc1 439721701 SJRZUSDUULHLPL-UHFFFAOYSA-N 407.492 0.977 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ncccc2C(N)=O)CC1 463707544 VPSNVUCPUUMOQY-UHFFFAOYSA-N 401.448 0.572 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 467386593 YPABHVXIGLMXIN-UHFFFAOYSA-N 423.539 0.907 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N[C@]3(C#N)CCc4ccccc4C3)cnc21 471913872 ZNZZBGTVANEYKG-LJQANCHMSA-N 411.443 0.764 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 473859914 PSHGCOVOQNXRPN-DLBZAZTESA-N 404.492 0.589 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 474221601 ZMWPRJGAJNUOPK-CABCVRRESA-N 408.524 0.529 30 20 HCED C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 481781604 QLVRWAGIKRADEX-DZGCQCFKSA-N 404.419 0.671 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 486645180 KDTGBLNSKCWCDZ-KRWDZBQOSA-N 415.537 0.760 30 20 HCED COc1ncc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O 486946002 ZMDRLEUNMJXRKH-INIZCTEOSA-N 408.418 0.983 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC 489180039 PHCHGFUDPLZMPH-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)cc(I)c1 499747066 DITPWKCPZLQVEJ-UHFFFAOYSA-N 401.204 0.957 30 20 HCED N#Cc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)c1 502445027 WWUCXPYBBPKTJI-UHFFFAOYSA-N 423.494 0.229 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 503295111 YRSRBQZRMLWFOA-UHFFFAOYSA-N 421.457 0.921 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)CCO2)c1 507906532 RHYHMJRFIOJKIT-LLVKDONJSA-N 409.283 0.413 30 20 HCED COCCN(C(=O)CN(C)CC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 508133166 KLVWQBKXIXQCFT-UHFFFAOYSA-N 400.439 0.014 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 508491039 FBFXYTHCSYBIOS-UHFFFAOYSA-N 415.483 0.188 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 510272210 RFPSDKPOGQFSDI-UHFFFAOYSA-N 401.467 0.518 30 20 HCED N#C[C@@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@]12C(=O)Nc1ccccc12 511514439 MCBCHFLLQQKLOQ-JZMKWISQSA-N 422.445 0.562 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc3ncsc3c2)CC1 512065627 AIHBCWHABQZQTQ-AWEZNQCLSA-N 415.519 0.920 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)c2ccc(F)cc2)n1 516517019 FOIIQCGLMPAAAX-UHFFFAOYSA-N 421.392 0.763 30 20 HCED CN1CCN(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1(C)C 517022752 BUWZFWDKVQZGPO-UHFFFAOYSA-N 410.482 0.220 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)NCCCN2C(=O)CNC2=O)CC1 527091968 PLFWQQJBRZTCSA-UHFFFAOYSA-N 400.439 0.884 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 532781224 UIVUVIZAJWMPNO-ZDUSSCGKSA-N 419.488 0.770 30 20 HCED N#CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCSCC1 534464783 MUKCNPWQGVCEEM-GFCCVEGCSA-N 408.505 0.592 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(CCC(=O)N(C)CCC#N)CC2)cc1 536740906 YUOHEGRYMYLCDW-UHFFFAOYSA-N 421.567 0.653 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 543218422 RZKFZOHITDWRCY-AWEZNQCLSA-N 424.479 0.062 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H](C(=O)O)C[C@H]1C(N)=O 548243907 DWWOXLKCZZBYDL-KWQFWETISA-N 405.354 0.916 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1O 554251459 PTNOQWYKASZCFE-QZTJIDSGSA-N 423.535 0.651 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)n2)c(Cl)c1 554668323 WZOBQRDYMCPMDH-QWHCGFSZSA-N 414.853 1.496 30 20 HCED COc1cccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1OC 556162602 HDIOESVTTVHAHZ-UHFFFAOYSA-N 423.473 0.978 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 558157401 HGLCZZCRKRUSIO-UHFFFAOYSA-N 409.497 0.364 30 20 HCED COCCNc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 560883726 DIHMKPLPGSYOIG-UHFFFAOYSA-N 422.489 0.977 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F 566347966 HGAFXVFODRTRDV-SNVBAGLBSA-N 415.401 1.000 30 20 HCED CNC(=O)c1cc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1C 568451556 DTQVEKFZTDLNSP-UHFFFAOYSA-N 408.509 0.532 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 579536841 NPYPHEUXNKJBJC-YJBOKZPZSA-N 407.492 0.520 30 20 HCED CS(=O)(=O)Cc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 584500497 KJSSHVPYTRJLFJ-UHFFFAOYSA-N 421.500 0.698 30 20 HCED COc1ccc(OCCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 585693653 ZQSGXKJDPDXLHI-UHFFFAOYSA-N 409.446 0.806 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2nnn(C3CC3)c2=O)CC1 589259656 FVLFALYRYHRWGB-UHFFFAOYSA-N 410.394 0.243 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 604006045 UFPFNJBJCPBCGT-IYBDPMFKSA-N 421.523 0.468 30 20 HCED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 609214301 VTYHOSXRULTDHY-RBUKOAKNSA-N 410.522 0.935 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 609952602 AODHKEDNZWYTGU-UHFFFAOYSA-N 412.402 0.694 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 615254168 PEHQERQUCGNDEC-UHFFFAOYSA-N 408.480 0.798 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cccc(OC)c2)c2nccn2C)C1=O 623190887 ICBAITQDMISQJR-MRXNPFEDSA-N 411.418 0.611 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 728571183 XPUXKOXAWXWWLY-QZTJIDSGSA-N 414.506 0.040 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(CC)ns3)CC2)c1 742906630 IMJVYWILBCOEDX-UHFFFAOYSA-N 419.532 0.974 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2scnc2C)c1=O 743726522 QDYIWUMRTMGHCA-UHFFFAOYSA-N 420.560 0.987 30 20 HCED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(CCS(N)(=O)=O)CC2)cc1 746488232 DPWDAZCLXCBDOQ-QGZVFWFLSA-N 407.540 0.536 30 20 HCED CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 755752663 AQPNPCQOTZHCFW-VBKZILBWSA-N 423.481 0.407 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc2c1OCO2 765144809 BSWJURVHJQDVBI-UHFFFAOYSA-N 408.395 0.710 30 20 HCED N#Cc1ncn(CC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 766603622 YPAVCNYYSNNZCV-UHFFFAOYSA-N 403.342 0.638 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 772112482 CEZZZAGJSYTEFE-UHFFFAOYSA-N 407.492 0.764 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 773955404 RLRMYPFHZPDHNH-GFCCVEGCSA-N 413.883 0.780 30 20 HCED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 776594339 DGNXDCDTQHPFLI-UHFFFAOYSA-N 422.526 0.300 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CCN2CCNC(=O)C2)C1=O 781103662 WMKAUJNASPBBDU-HNNXBMFYSA-N 417.535 0.803 30 20 HCED COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 781515927 BLYZBQOUFPDIDK-PFONDFGASA-N 420.809 0.708 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)c1 782163289 AGEICLHXDQEGLQ-KRWDZBQOSA-N 401.419 0.882 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C 783014350 NVDAMPIXBOLMQH-UHFFFAOYSA-N 409.555 0.543 30 20 HCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783063189 PAVQZLZFGUHYOG-CQSZACIVSA-N 407.452 0.944 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)n(CCC#N)n1 784632511 BJYIDTAKDJWOOL-GFCCVEGCSA-N 402.484 0.867 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 784924948 PXQCBJPORLIFJJ-UHFFFAOYSA-N 410.474 0.506 30 20 HCED C=CCOc1ccc(C(=O)OCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc1OC 785136328 QJYJHOWVVVTNRR-UHFFFAOYSA-N 400.391 0.891 30 20 HCED CS(=O)(=O)CCS(=O)(=O)Oc1ccc(C#N)cc1I 798470690 JNKCULSROUXTJW-UHFFFAOYSA-N 415.230 0.916 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 799284678 LUUZGWMXAFEKPE-AWEZNQCLSA-N 413.430 0.734 30 20 HCED C[C@@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2F)C[C@@H](C)O1 800013182 RSQPXNDIGIWDBQ-IIAWOOMASA-N 412.487 0.998 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1)c1cc[nH]n1 804364066 LMEBZFGOODCUNH-HNNXBMFYSA-N 420.344 0.648 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OC 805085414 IRCACCJWWYYODH-SNVBAGLBSA-N 413.420 0.705 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)[C@H]1CCCO1 809305182 ZAPJEUBXTPEHQK-XUVXKRRUSA-N 424.501 0.233 30 20 HCED COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809501352 FNQSVUSOAAPIIX-WBVHZDCISA-N 405.451 0.055 30 20 HCED C#CCNc1nc(NC[C@@H](O)c2ccccn2)nc(NC[C@@H](O)c2ccccn2)n1 811828034 XVKGIPKEZCMJPV-IAGOWNOFSA-N 406.450 0.998 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2O)c1 812360535 DFNARJOONNSUFO-UHFFFAOYSA-N 423.472 0.464 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N(c2ccccc2F)C1 812564367 UDKYWBBRHXSKNV-GFCCVEGCSA-N 416.434 0.786 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)C2=O)cc1 815265867 WTCGIEOIVIJIFK-HOCLYGCPSA-N 406.464 0.512 30 20 HCED Cc1cc(C#N)cnc1C(=O)O[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 815337594 SKERYBCUUODIMP-CYBMUJFWSA-N 416.459 0.813 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 815559322 DJWRIGGAOKELTJ-UHFFFAOYSA-N 423.372 0.393 30 20 HCED CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 819071757 ZRRQAEROXWYXRW-MRXNPFEDSA-N 404.492 0.488 30 20 HCED CC#CCN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 819249326 IRGUAAOUUOEYQR-JMPLCFMRSA-N 412.533 0.862 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1211464300 NLCXNIPBHCZKQK-UHFFFAOYSA-N 415.512 0.722 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1299236861 QHDJHNNQXFYPAF-UHFFFAOYSA-N 416.507 0.966 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1359476860 MMQQRHIKBFOVOQ-LLVKDONJSA-N 401.393 0.675 30 20 HCED Cn1nc(C2CC2)nc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464031893 JQTGGTQDKCJIFQ-UHFFFAOYSA-N 414.491 0.640 30 20 HCED Cc1nccnc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1511623970 PYYSKDKDJCZYAL-HNNXBMFYSA-N 419.449 0.995 30 20 HCED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1543317851 IHBNTYCKKWYALJ-SFHVURJKSA-N 422.493 0.027 30 20 HCED N#Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCOCC2)cc1Br 1561878212 YQFGITKRCKDRGM-UHFFFAOYSA-N 402.270 0.976 30 20 HCED C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCC(O)CC1 1587303179 KATURPJMJPLOTK-GFCCVEGCSA-N 415.425 0.798 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCC1 1622144600 PRYVCLFKKSWVKY-MRXNPFEDSA-N 418.516 0.930 30 20 HCED CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1 1622471046 JUSSCRSLODZIKF-UHFFFAOYSA-N 400.526 0.595 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCOCC1 1690994051 VDBIYUJXOCTTTP-ILXRZTDVSA-N 413.548 0.205 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1696991265 YDUYZBWFOJQRCH-UHFFFAOYSA-N 411.466 0.248 30 20 HCED CS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698306230 BAVABKAMEUPUDP-MRXNPFEDSA-N 401.496 0.561 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1778804235 ZOFFDQMQCPMCFX-GHTZIAJQSA-N 424.494 0.913 30 20 HCED O=C(C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)c1ccco1 1779100797 YOTXUOYWFDOYGW-FXYZYZMWSA-N 419.434 0.821 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1779105780 OIWYABLQCNIFSL-ZMNJEPIRSA-N 405.455 0.691 30 20 HCED CC(C)NCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105913 WIOAWJHBAXFYHU-LWAXZCTGSA-N 410.515 0.733 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779319933 RDRQMTSRTYBNNT-WMLDXEAASA-N 403.426 0.179 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(N3CCN(C)CC3)CC2)C1 1780651804 SAARCHKQOXFIHN-WIYYLYMNSA-N 404.555 0.856 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1 1781396809 SNGVFYHOMBEXQY-KUHUBIRLSA-N 405.455 0.730 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781965352 BOKOUMFUHIRCGT-LAUBAEHRSA-N 414.437 0.762 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)Cn5ccnn5)CCO4)C3)c2c1 1782195810 KGTOKLWSKMRPAT-FQEVSTJZSA-N 420.433 0.170 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782636688 SPPYWYIQADPHEM-MGPUTAFESA-N 419.482 0.746 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3cccnc3)CCO2)C1 1783106243 AFZBWAPNLAQRIU-HRAATJIYSA-N 400.479 0.854 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1ccc3c(F)cccc31)CCO2 1783558723 WLRGFCCVTVWZTC-OAQYLSRUSA-N 413.405 0.698 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(S(C)(=O)=O)cn3)CCO2)C1 1783885905 JSSMPQKEAVEOLR-SJCJKPOMSA-N 413.521 0.247 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)cn3)[C@H]2C1 1786241331 WGDJGHSQQBCDCS-DZKIICNBSA-N 406.508 0.998 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(C)noc3N)[C@H]2C1 1786840747 WLAXDOIHFATJHH-AJNGGQMLSA-N 407.471 0.959 30 20 HCED CN1CCN(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#Cc4ccccc4)C[C@@H]32)CC1 1788191269 CHACGRBPWXVPPJ-FKBYEOEOSA-N 424.545 0.265 30 20 HCED CCOC(=O)/C=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601588 BDWWDZUYYDBBLB-WAEFMFNXSA-N 420.510 0.557 30 20 HCED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790146735 WLEDIOHDLJDLTD-BZSNNMDCSA-N 414.462 0.702 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnn3)[C@H]2C1)C(F)(F)F 1790642315 IVINIVJWQXZVQJ-XUXIUFHCSA-N 401.389 0.937 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)NC(=O)c2cnccn2)C3)C1 1792441264 RKCFLGLJUVGDSA-SCNOPHJPSA-N 413.478 0.151 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1CCN(C)CC1)C2 1793351774 NBRHPQUQXIYRCB-HUUJSLGLSA-N 422.570 0.195 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@H](C(=O)OC)C1)C2 1793354548 ZRSVYMNREHUKEG-LVZMMCSGSA-N 408.495 0.756 30 20 HCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)c1 1794566131 VUYGISMYJQJCQC-HGKCTWBKSA-N 407.430 0.879 30 20 HCED 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C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835695103 JOCCRMOSFLAYIL-DYESRHJHSA-N 400.479 0.752 30 20 HCED C[Si](C)(C)C#CCCCC(=O)NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1 1835726206 LWTPNOAPYVGRSR-UHFFFAOYSA-N 423.630 0.920 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1836858695 XGISKYFZIYQCEJ-OAHLLOKOSA-N 403.483 0.466 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1837399659 YQWKIVFGGJNMSE-UWJYYQICSA-N 421.494 0.880 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1837403282 JUAVCMLBISDLHB-DQKPQGHDSA-N 423.510 0.056 30 20 HCED Cc1c[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837443611 MCTDAGHFQBBHAC-DUYDGHCJSA-N 417.510 0.865 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]n3)CC2)CC1 1838010785 SPCCBAIDIKICMJ-INIZCTEOSA-N 405.499 0.990 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1839225106 XVXFTJXQTCRJPN-KUHUBIRLSA-N 423.470 0.178 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451614 GEDQUZOCOUGCIL-KNQAVFIVSA-N 414.506 0.935 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649378 NABYERZNSWUWBE-FQEVSTJZSA-N 417.466 0.121 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839762304 GCQHZLZYCYATMG-FQEVSTJZSA-N 406.479 0.590 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1839840188 ZTXDUZDCOCFXAT-HRAATJIYSA-N 403.479 0.668 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)CC=C)CCO2 1839886435 BBENIELLHXQQDV-MAUKXSAKSA-N 400.422 0.693 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840015149 ZSAUFCQUNITNDG-JXFKEZNVSA-N 410.467 0.131 30 20 HCED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(F)c1 1840158706 PDGPKBYXTXWELZ-KPZWWZAWSA-N 413.471 0.618 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840166100 UXBKMLZDZYOIOD-LPHOPBHVSA-N 410.540 0.665 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840167969 YKBWKPPAFDMLGJ-SFHVURJKSA-N 405.411 0.191 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc(Cl)n4)C3)C2)CCC1 1840814470 LGQPKAHWUCISON-LJQANCHMSA-N 419.869 0.894 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](O)c1ccc(OC)cc1)C2 1841053448 QTCNWEKDYNGUJC-QJRAZLAKSA-N 413.474 0.790 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)CC(=O)N3)C2 1841054700 GRWDAYFQURPWOO-SREVYHEPSA-N 408.458 0.857 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1841259908 HLSSFQJZLMPYSX-HXUWFJFHSA-N 412.490 0.345 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1842921184 UAVMHAYRBNRLDU-UHFFFAOYSA-N 402.455 0.046 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](S)C(C)C 1847828011 JGAOTEPYUBOULS-JONQDZQNSA-N 400.497 0.637 30 20 HCED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)c(F)c1 427792966 BOTIDBCCBQQRFN-UHFFFAOYSA-N 404.489 0.711 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 442437540 FEJYZWSTRNNZTE-LLVKDONJSA-N 413.463 0.651 30 20 HCED COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N(C)C)cc1OC 444592933 JLAGHPYWGUJONJ-OAHLLOKOSA-N 414.466 1.172 30 20 HCED CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 447027572 LNKOLRIECQYDCG-UHFFFAOYSA-N 421.461 1.320 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)C(=O)Nc1ccccc1 460604820 DIRXFEVRUMKVFX-CQSZACIVSA-N 417.429 1.529 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cn1 462087922 ZPAGHZUQLKJDLF-UHFFFAOYSA-N 408.422 0.094 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1CCN(CC(=O)N(C)C)CC1 462108766 NLMOKYZVHQNFNR-UHFFFAOYSA-N 410.482 1.122 30 20 HCED N#Cc1cccc(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 463778677 ZSBZLLJFUIGPPE-UHFFFAOYSA-N 405.458 0.787 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 467131395 XOZRCWZVMPZIIL-ZACQAIPSSA-N 422.445 0.937 30 20 HCED CC(C)C[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 467263493 XCBPNOVAKFDUAE-BFHYXJOUSA-N 412.458 0.082 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN([C@H](C)CO)CC1 470934008 TWRLGTALRVKJBE-OAHLLOKOSA-N 404.467 0.437 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1 470994269 DZTMJFIAZDOQNT-RHSMWYFYSA-N 414.462 0.541 30 20 HCED COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 476410687 WKQOAEMRRVDLQB-FMKPAKJESA-N 407.496 0.920 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCOc1ccc(C#N)cc1 476686287 IQDBYBVKHLEPEF-ZDUSSCGKSA-N 416.459 0.519 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c1 479496525 JLONBLVMEBKUHV-UHFFFAOYSA-N 400.420 0.615 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(F)(F)F 489892756 YBQWCGKBJNSUBM-LLVKDONJSA-N 403.379 0.798 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(COC(C)C)c2)CC1 491122102 IICIGYQPYRJBSI-UHFFFAOYSA-N 402.495 0.997 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 499721782 BXNFQMCPRLCPEU-BLLLJJGKSA-N 413.434 0.730 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 507423112 KAFSZHLMNYQAML-UHFFFAOYSA-N 415.483 0.723 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)OC)c(OC)c2)CC1 512488912 CONMTXMAENONLP-UHFFFAOYSA-N 404.467 0.611 30 20 HCED Cc1c([C@H]2OCC[C@@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cnn1C 520672225 MATMABKZOCTJFC-FUHWJXTLSA-N 403.464 0.525 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 535084619 SBKRJKIYIIWWDK-UYSNPLJNSA-N 407.496 0.976 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)C1=O 541825226 WLUMUDIQUVHGQG-GFCCVEGCSA-N 401.872 0.612 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cccc1C(N)=O 542073437 HJSVWGYPXJLXGL-MRXNPFEDSA-N 421.457 0.969 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C#N 544836690 FHKOXVAXSQIACI-CYBMUJFWSA-N 415.855 0.280 30 20 HCED COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697794 UQUOAZSYHZAFDB-UHFFFAOYSA-N 409.399 0.844 30 20 HCED COC(=O)CC1(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCC1 555875102 GOIQEOJLJAEGIO-UHFFFAOYSA-N 410.434 1.129 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 556571633 PZIYVHZOKYFJSD-HNNXBMFYSA-N 423.491 0.805 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)NCC#N)cc1Br 557784712 VHZKWQUHUVLCON-UHFFFAOYSA-N 403.258 0.069 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCC(=O)NCC#N)cc2)C[C@H](C)O1 558227842 VSAZEPZWDOASQR-STQMWFEESA-N 409.468 0.246 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 560647316 NWDXJGUNKFYJPM-YOEHRIQHSA-N 411.462 0.297 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)N1CCOCC1 564378075 KXJJWPLOQWHRHG-UHFFFAOYSA-N 419.507 0.830 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)c(F)c1 567801839 XGIZVFVCMHPDCD-KBXIAJHMSA-N 403.366 0.587 30 20 HCED CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 568781609 NVHPUGPMGBNMHS-ZBFHGGJFSA-N 418.479 0.296 30 20 HCED Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 585693640 YHRODVLYSSTSEP-FQEVSTJZSA-N 413.522 0.589 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 588949238 SCIKWIBSTOHGSO-INIZCTEOSA-N 403.870 0.666 30 20 HCED Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 609282599 AXLUBKYQVUGZMR-HNNXBMFYSA-N 402.476 0.874 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1 609334343 MWMPVSQJENSZDT-UHFFFAOYSA-N 414.553 0.983 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)CC1 610112739 ZJVRBFKWHIUZNG-UHFFFAOYSA-N 402.480 0.870 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)C1=O 672340973 YDLMFAJREKTINS-RHSMWYFYSA-N 406.433 0.905 30 20 HCED C=CCN1C(=O)N(CCN2CCN(S(C)(=O)=O)CC2)C(=O)[C@@H]1Cc1ccccc1 683275599 JTAQTDFVFNIDQA-SFHVURJKSA-N 420.535 0.625 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC#N)CC2)cc1 731237136 FPUDJVMUKIMESU-UHFFFAOYSA-N 409.464 0.669 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)ccc1F 731882928 ZGBPRWSBJQWVGV-GFCCVEGCSA-N 419.500 0.431 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 732559436 AGZWGUFKSZXDAA-ZDUSSCGKSA-N 403.382 0.491 30 20 HCED COc1ccc(-n2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)n2)cc1 732909421 BKNCNFJQCJWKQK-OAHLLOKOSA-N 402.432 0.460 30 20 HCED CCc1ccccc1N1C[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910068 KZXCZXITVSFTSH-JKSUJKDBSA-N 417.487 0.568 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1[C@H]1CCOc2ccccc21 742144053 RIVHJDYRVZQSSN-INIZCTEOSA-N 421.482 0.264 30 20 HCED CN(C)Cc1nc(C(C)(C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 743645286 NBZMTVUYPINMFU-UHFFFAOYSA-N 406.468 0.221 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 747880638 VPHQUVVGIZGJHQ-LFIBNONCSA-N 403.504 0.955 30 20 HCED C=CCn1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1C 748466233 LLUHRMPYHTVMCA-UHFFFAOYSA-N 422.463 0.422 30 20 HCED COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 749628664 NDPSJWULBBZFQV-KRWDZBQOSA-N 420.429 0.995 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)[C@H](C#N)C1 755537306 MNSVDFIXAADILI-IUODEOHRSA-N 413.434 0.995 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 758415813 OGHHXPANJHVIPI-SFHVURJKSA-N 411.487 0.893 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762941674 TZHBCLZYKBLOLN-SGTLLEGYSA-N 424.479 0.050 30 20 HCED CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)C2(C#N)CCOCC2)s1 767404997 HBMCREYWQKEJFE-UHFFFAOYSA-N 400.478 0.886 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)C(CC)CC)CC1)c1cc[nH]n1 770823392 KLVGLTABSDDIPT-UHFFFAOYSA-N 407.471 0.801 30 20 HCED CC(C)N1CCC(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 771796393 XWCNRMCZNJTMET-QZQOTICOSA-N 403.527 0.920 30 20 HCED CC[C@H](C)Oc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 771888288 AVIOBIBPFBIQMM-LBPRGKRZSA-N 424.479 0.582 30 20 HCED C#CCOCCC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Br 776525501 ILIRGVQWSIFQBF-UHFFFAOYSA-N 406.214 0.784 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1C 781840816 BNYRELZGFWXIFZ-UHFFFAOYSA-N 415.431 0.945 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782244468 IABVGPDLAHHENU-UHFFFAOYSA-N 422.488 0.554 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 782909234 UXLAIZFLDOKDFR-NVXWUHKLSA-N 421.475 0.722 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1N1CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 783480792 UUHSEKUIJMHIRM-INIZCTEOSA-N 418.519 0.026 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 787754574 FVEXEMJGTNHVCS-RBUKOAKNSA-N 423.473 0.832 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 787791010 QLLRIOLAMMQMGK-KRWDZBQOSA-N 421.461 0.184 30 20 HCED C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 792746313 LKJIWOMYIXYVTC-IAADXIDXSA-N 422.532 0.682 30 20 HCED C#CCN(C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 793827672 QKPIURRSAMRHPJ-UHFFFAOYSA-N 420.510 0.586 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)CC1 795844701 QNYJWFSURSYCDS-UHFFFAOYSA-N 421.519 0.618 30 20 HCED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)c1 798253149 HLJAAXLLZYBJLY-OAQYLSRUSA-N 421.413 0.795 30 20 HCED Cc1cc(NC(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 800763358 MZQPQJIHLXMMRI-UHFFFAOYSA-N 419.463 0.729 30 20 HCED COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 807831041 BCSGBYRSEPOSJL-LBPRGKRZSA-N 419.486 0.238 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 856078146 LQODPGLIICCDAX-LLVKDONJSA-N 402.856 0.559 30 20 HCED N#C[C@H](C(=O)CCN1C(=O)CCC1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916989250 DDBDBCXQDOUOHK-SNVBAGLBSA-N 416.346 0.552 30 20 HCED CCN1CCN(CC(=O)OCC(=O)N(CCC#N)c2ccc(C)c(C)c2)C(=O)C1=O 919147036 FBHXEJNYZJMGES-UHFFFAOYSA-N 414.462 0.784 30 20 HCED C=C(Br)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@@H]1n1ccnn1 1070239306 HCXJEHXDWSRCLX-QKMYFLCJSA-N 408.300 0.952 30 20 HCED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 1111811714 MHRXPYOYAHZPKM-PHVMSBPJSA-N 404.511 0.784 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CC[C@@H](O)C2)C1 1144919332 RGVOVWSAFPGMKR-NVXWUHKLSA-N 420.535 0.417 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1253611201 CXKRVDPVHCGLJI-UHFFFAOYSA-N 419.478 0.733 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CC(N)=O 1253612266 MXRUSKMJYPFIME-LLVKDONJSA-N 417.462 0.661 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CCOC2)CCO1 1316535693 XWEJYTCCXQGNLG-LRDDRELGSA-N 423.271 0.916 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 1317988658 RPHMPGJAVPGZDB-QNGOZBTKSA-N 421.479 0.770 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)COCC(=O)NCc3cccnc3)CC2)nc1 1318619799 BTTXMGANRMLAQF-UHFFFAOYSA-N 408.462 0.766 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 1319377869 NSAOKXHQUAEMIE-QGZVFWFLSA-N 404.492 0.512 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)C1CC1 1360240088 ASSHSHYMHMEPHT-UZLBHIALSA-N 401.515 0.754 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 1469406408 UGUKEAXQMIBHQZ-LJQANCHMSA-N 402.476 0.725 30 20 HCED CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1475292953 VLNKVHKDZJDSGG-UONOGXRCSA-N 404.489 0.071 30 20 HCED CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1501389140 JERZGFHHNZCSON-GOSISDBHSA-N 400.418 0.846 30 20 HCED COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)cn1 1555569717 XAANAOLXCXZBAN-UHFFFAOYSA-N 420.477 0.986 30 20 HCED N#Cc1cn(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)c(=O)nc1O 1633782158 NDVBSNXSTSGSIT-CQSZACIVSA-N 421.335 0.539 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(CCC(F)(F)F)C1 1635765205 SVAYXPJXFIBRKG-LLVKDONJSA-N 418.397 0.806 30 20 HCED N#Cc1cccc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)n1 1639226670 CCHYXBCJPJNKJP-UHFFFAOYSA-N 414.491 0.696 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cn(C)nc1-c1cnn(C)c1 1640159526 WTMLVIUPQQRYHX-LBPRGKRZSA-N 413.463 0.998 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3c[nH]nc3C(F)(F)F)CC2)c1C#N 1661434975 ZIHQQBHERVIBSQ-UHFFFAOYSA-N 403.390 0.853 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1F 1662465590 ZUMDVOWLFHRAQM-ZDUSSCGKSA-N 418.468 0.827 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)C1CC1 1751213458 JHYSCZDANUDRKL-UVBJJODRSA-N 400.480 0.491 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1760374961 ZTUDBQHKOABTEC-LBPRGKRZSA-N 405.908 0.589 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778597072 WYVRBQRLMPAGRG-FOIQADDNSA-N 414.466 0.974 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778953860 HWYPKCSEWZZABQ-AUSJPIAWSA-N 410.515 0.097 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)NCC)CCO2)C1 1778971793 OJDVJYPVXLPFRT-AVYPCKFXSA-N 410.515 0.097 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1779105819 UWWAHVSLGJGOOU-XNWDXEOPSA-N 409.483 0.772 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN(C)C(=O)C(=O)O)CCO2)C1 1779243357 UVLDADAGDHSXDH-HXUWFJFHSA-N 409.483 0.352 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779877826 MFYAXAWKDJWGTL-QVKFZJNVSA-N 413.478 0.787 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779879826 UVSJTHVKRBVVLK-QGZVFWFLSA-N 409.393 0.230 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779888527 OOKGUUQNQYIFRX-JOCHJYFZSA-N 422.441 0.714 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)C[C@H](N)c4cccnc4)CCO3)C2)c1 1780333067 RHXYFORZXJVSPT-LAUBAEHRSA-N 408.462 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C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835800509 DKJLHXHNRBMCGB-KUHUBIRLSA-N 424.523 0.695 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1836845511 XRDNJRNVGGLHOF-NRFANRHFSA-N 409.446 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1836857783 ZDXYELXBVNPAFX-YJBOKZPZSA-N 423.510 0.086 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837405724 ZRCSTOZIDXSMAO-LLGFUMIMSA-N 410.511 0.443 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=S)NC)CCO2 1837468010 VTODJWKAUPJROT-HXUWFJFHSA-N 424.567 0.120 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nn1 1838830324 XCTQHZKZTVHAKQ-IBGZPJMESA-N 403.439 0.249 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839513158 VQJRHWPXCCEXRF-HXUWFJFHSA-N 411.418 0.319 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1839847052 QURIXTDINYCCAW-DJPFJPOOSA-N 409.527 0.960 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840043038 DPYHZARNYGOTRT-OAQYLSRUSA-N 400.431 0.461 30 20 HCED CC(=O)N[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)C(C)(C)C 1840157028 CHTNMLKADRJDLR-ZBQZNYHESA-N 415.556 0.312 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cccn3)CCO2)C1 1840438657 JDQHTKCOMLOORV-QKLQHJQFSA-N 406.483 0.492 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)n3cnnn3)CCO2)C1 1840472683 AKPGGFWSAOYYBV-UZLBHIALSA-N 420.514 0.683 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCC5)C3)C2)CCC1 1840814206 VAHCMZVIVGUURV-OAQYLSRUSA-N 413.478 0.593 30 20 HCED CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2ccc(C#N)cc12 1847788904 MNHPCWUGZFLXGQ-HOTGVXAUSA-N 415.475 0.685 30 20 HCED COc1ccc(Cl)cc1CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 26713560 KGIRYWKLJUISGI-UHFFFAOYSA-N 403.870 0.940 30 20 HCED CCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 60569065 YELNHCCNAWBCCI-UHFFFAOYSA-N 422.507 0.526 30 20 HCED CCN(C(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCS(=O)(=O)C1 110086119 HKGOGBUIYKQBHA-HNAYVOBHSA-N 418.475 0.361 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCNS(=O)(=O)NC(C)C 430459435 UOJKFRRDGUEREK-UHFFFAOYSA-N 407.500 0.099 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(c3ncccc3C(N)=O)CC1)CC2 433679268 JXZBWCYOARRUKC-UHFFFAOYSA-N 404.430 0.290 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)n2)c(Cl)c1 435256883 IQEVNHQGFNWGNT-IBGZPJMESA-N 412.837 1.074 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 437494457 MINKOVNNSFHPFS-QAPCUYQASA-N 407.492 0.518 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O 440345835 WTAUAHWYTBDLAS-CYBMUJFWSA-N 423.491 0.946 30 20 HCED CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCNC1=O 440944903 NJWXQFIORPCBEH-OAHLLOKOSA-N 412.450 0.665 30 20 HCED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1C#N 441978776 LGHQBHHEMJWDTG-UHFFFAOYSA-N 406.489 0.957 30 20 HCED CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 442087248 ZHAQAUKLOMFVKZ-KRWDZBQOSA-N 412.450 0.791 30 20 HCED C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 445155230 BZOAHILCQYGEEF-CYBMUJFWSA-N 416.869 0.861 30 20 HCED COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1NC(C)=O 446525137 WKNROYCBJCNPOC-UHFFFAOYSA-N 417.466 0.667 30 20 HCED C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H](C)N1CC(=O)N[C@](C)(C#N)C1CC1 448525307 PRHJDZBUYKQLJG-FHTPNYMGSA-N 414.554 0.998 30 20 HCED COc1cc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)ncn1 460615207 REBGVWMQZBVORD-UHFFFAOYSA-N 420.433 0.812 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H](C)CC#N)CC2)cc1 468857211 GILRXNRLXULUDX-HNNXBMFYSA-N 406.508 0.956 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 473394205 ZVXDWYIENPQSRL-IBGZPJMESA-N 409.490 0.472 30 20 HCED CN(C)S(=O)(=O)c1ccc(CC(=O)N(CCC#N)CCN2CCOCC2)cc1 475456383 CLDJFNAPQRWEIC-UHFFFAOYSA-N 408.524 0.554 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)C2=O)cc1 480836332 ADSRGUOUGPJSLQ-IRXDYDNUSA-N 406.446 0.692 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccccc3Cl)CC2)C1=O 484313224 RMKQBVUNGQNOSU-UHFFFAOYSA-N 404.854 0.961 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](COCC2CC2)C1 485554037 YOHXRFIXJMZGOM-RHSMWYFYSA-N 407.492 0.879 30 20 HCED C=CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 486969259 SAXKVTGYWXXUNP-GHMZBOCLSA-N 421.463 0.193 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)C1=O 488027193 DRWJVFBZDHKZQO-XJKSGUPXSA-N 420.372 0.330 30 20 HCED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 497950852 OJYYERQGNMOVOE-JTQLQIEISA-N 402.270 0.534 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 507661307 RSPIYJRCWNGAIX-OCCSQVGLSA-N 410.500 0.498 30 20 HCED COCCN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 507979336 MNXVOTCRMJVFPT-UHFFFAOYSA-N 402.270 0.800 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(NC(=O)C(N)=O)c2)c1 509378813 NEOKEVUVFNJGCU-UHFFFAOYSA-N 402.432 0.827 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1C 511162725 XAROXJJHBQDNGW-UHFFFAOYSA-N 420.470 0.366 30 20 HCED O=C(NCC#Cc1cccc(F)c1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 512174437 DZHQTWWWDVMYKI-UHFFFAOYSA-N 424.498 0.518 30 20 HCED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513004317 JJFZIRQQKRQQAE-UHFFFAOYSA-N 422.442 0.267 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)cc1 514059443 OYCJCVPKNHUAEE-UHFFFAOYSA-N 415.537 0.552 30 20 HCED COc1ccc(-c2noc(CN3CCN(S(=O)(=O)N(C)CCC#N)CC3)n2)cc1 514537138 PGYPRICXFTUCMC-UHFFFAOYSA-N 420.495 0.953 30 20 HCED Cc1ccc(NC(=O)CN2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 519289247 UJVKIJORLYCIBW-INIZCTEOSA-N 408.480 0.179 30 20 HCED CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NCc3cccc(C#N)c3)c2c1 520153207 SAWIKKRVOINIJU-UHFFFAOYSA-N 414.447 0.298 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2F)c1=O 523743718 GQDYETRHQDSKPA-UHFFFAOYSA-N 401.463 0.867 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 523938756 BDSZTKMJTSHBPZ-UHFFFAOYSA-N 410.433 0.723 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n(CCC#N)n1 533459833 ICLQGZQKDYVOAU-HNNXBMFYSA-N 402.455 0.141 30 20 HCED C=CCN1CC[C@H](Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1=O 540809456 FQYHMEHQHQPVJI-INIZCTEOSA-N 408.524 0.972 30 20 HCED COC(=O)[C@@H](C)Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 545372913 RMHDKXFYXPCKTB-LBPRGKRZSA-N 412.450 0.903 30 20 HCED C=CCCCCNC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 551170346 SPRHBCYZJJMGAG-UHFFFAOYSA-N 423.539 0.122 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 551290943 MXFUZAJCLSGWGC-UHFFFAOYSA-N 417.451 0.131 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCn3cnc(C#N)n3)n(C)c2)C1 557110959 HDDVKNHXXUKGSE-CYBMUJFWSA-N 405.484 0.339 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 558524327 JLQKFSVPHJOVMI-RDJZCZTQSA-N 423.477 0.837 30 20 HCED CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)n2)CC1 560052207 BUSQOHFJXRNCKJ-UHFFFAOYSA-N 422.493 0.704 30 20 HCED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 572556638 VFTBZHVHCQNILR-HRAATJIYSA-N 412.446 0.581 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1=CCN(C)CC1 575898828 GMXFAKLDCRMZKU-DNVCBOLYSA-N 409.490 0.936 30 20 HCED COC(=O)Cc1csc(N(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 582995465 FDFHPNZAUGABLS-UHFFFAOYSA-N 408.461 0.672 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 609128958 YOMGOZPYRGLGAL-RTBURBONSA-N 415.469 0.662 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 610808278 SCOYMVJKVXFFKN-AEFFLSMTSA-N 419.551 0.463 30 20 HCED Cc1oc(S(N)(=O)=O)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619583007 ZWIUHWVGMZQNGF-UHFFFAOYSA-N 405.436 0.935 30 20 HCED CCN(c1ccc(C(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)cc1)S(C)(=O)=O 685842812 IXYCZGOZJVBSGS-UHFFFAOYSA-N 404.448 0.570 30 20 HCED N#Cc1cnn(CCOC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1N 731772757 YRPPLKJNAZWOHZ-UHFFFAOYSA-N 404.452 0.376 30 20 HCED CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(CC)c2)c1=O 732562502 DBYCFRHCDSJQIM-UHFFFAOYSA-N 407.499 0.927 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@H](NC(C)=O)C(N)=O)nc1C 740749827 RUVPDGRQRZNOHX-VIFPVBQESA-N 409.497 0.503 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cn(CC(N)=O)nn2)nc1C 742651428 JOWMIGOINMKVKJ-UHFFFAOYSA-N 405.469 0.514 30 20 HCED C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 748427000 GRBKHGPOJSGONK-SECBINFHSA-N 411.827 0.626 30 20 HCED C#CCN1CCN(C(=O)CNc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)CC1 754315947 UNKJXRVGZHYEFG-INIZCTEOSA-N 400.479 0.557 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)CC2CC2)c1 755076779 VYBPSRSMXSGZMY-GBPUDXIESA-N 422.507 0.715 30 20 HCED COCc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ncn1 755555465 XKWHBGXCIRGZTK-AAEUAGOBSA-N 404.427 0.437 30 20 HCED COC(=O)c1cccc(COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1C#N 756162215 IZNYJMXGRHZOSG-UHFFFAOYSA-N 401.400 0.886 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnc(C)s2)c1=O 758056435 XENJHBWRZZNCEX-UHFFFAOYSA-N 416.553 0.386 30 20 HCED C[C@H](CC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 758776767 MZRKROIMSQPIRN-YUELXQCFSA-N 404.492 0.773 30 20 HCED C[C@H](C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767354189 SDEVIDXQBMQHFN-OEAKXUMTSA-N 423.425 0.758 30 20 HCED C#CCCOc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 769462736 JLWWPJZIUCSBPX-IBGZPJMESA-N 419.547 0.510 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 771471897 SOHPNNYBRSTCLB-UONOGXRCSA-N 423.495 0.821 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 773439664 JDILZDPYKCFVTD-UHFFFAOYSA-N 419.500 0.766 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCc2cn3ccccc3n2)n1 786167298 BZEOAKSJZJQJIH-UHFFFAOYSA-N 408.462 0.498 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 787787048 GQUNNEITDSHGQW-OAHLLOKOSA-N 400.483 0.098 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2csc(C)n2)c1=O 794582525 WNADCCJYEAXCIA-ZDUSSCGKSA-N 419.528 0.820 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 796143323 OMWHMWJTKNVYJI-UHFFFAOYSA-N 409.371 0.422 30 20 HCED C=C(C)CS(=O)(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 797828717 ZWZDFVKUDINUPZ-UHFFFAOYSA-N 423.557 0.459 30 20 HCED C#CCC[C@H](O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 799076353 LAIRSGCOCYPKNA-UONOGXRCSA-N 412.464 0.500 30 20 HCED C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 803467067 TUNLEXCPXGLXNG-FQEVSTJZSA-N 407.386 0.757 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 803861804 IVAQCHAJBNBYPK-LBPRGKRZSA-N 422.444 0.137 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(c3ccnc(N)n3)C2)c1 810764601 PPVNWNLSSMAVLQ-OAHLLOKOSA-N 415.475 0.796 30 20 HCED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 811734388 DNPVHJASQPWUQM-LJQANCHMSA-N 400.439 0.296 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCc3nnn(C)c3C2)c1 812945887 JOIKKHHHAPGGQM-KRWDZBQOSA-N 407.474 0.793 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2cnc(Br)n2)c1 813204283 MBAXFDNIMQKKNO-UHFFFAOYSA-N 413.253 0.809 30 20 HCED COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 815813475 IMYPMKGCIDRZPY-HUSAPJIJSA-N 408.480 0.685 30 20 HCED C/N=C(/NCCN1CCOCC1)NCC1(c2ccc3c(c2)OCO3)CCOCC1 849064757 FTHRDEJUUTTXAD-UHFFFAOYSA-N 404.511 0.961 30 20 HCED N#C[C@@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc2c(c1)OCCO2 916966226 LQDRSLUHWGPXNQ-ZDUSSCGKSA-N 412.402 0.970 30 20 HCED N#C[C@@H](C(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1nc(O)c2ccccc2n1 917023365 ZKDRFQPEIOKLLA-YJBOKZPZSA-N 409.446 0.835 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnccc2N2CCN(C)CC2)cc1 919860601 DUFHUWITPGTHKJ-UHFFFAOYSA-N 413.503 0.997 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CCOC)nn1 1002635730 YBFTVWPBBZRSTB-WGMGUUHVSA-N 403.483 0.767 30 20 HCED N#Cc1cnccc1N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1054799371 TVTNCNOOZWUDMA-OBQBCKFOSA-N 414.487 0.191 30 20 HCED Cc1cc(CN2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 1115927451 SOSYCOBXPSBISL-UHFFFAOYSA-N 417.491 0.756 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCOCC2)C1 1302979619 RWEOZYBYTQERRD-FQEVSTJZSA-N 413.457 0.955 30 20 HCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359141044 VFTLLRIRUWYNGQ-UHFFFAOYSA-N 416.935 0.785 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1359855266 HVLHVVZSUBRJKQ-MRXNPFEDSA-N 411.514 0.806 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)CCOC1 1516224983 KQMPHOOMFCWFRN-OXJNMPFZSA-N 421.498 0.591 30 20 HCED Cn1c(=O)c2ccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2n(C)c1=O 1664749114 KAGNDOUEMZPUMR-UHFFFAOYSA-N 419.445 0.858 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 1676954169 LEPBZVZQCIUYGY-DYESRHJHSA-N 416.478 0.921 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCOCC2)CCO1 1712884837 UEHLULGLOOEPHQ-CVEARBPZSA-N 404.471 0.497 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1 1722543590 RDUMWRKFIUFCFN-NSHDSACASA-N 404.924 0.733 30 20 HCED CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)NC)cc1 1727391746 KGCVHIBLZRAYOF-INIZCTEOSA-N 404.496 0.785 30 20 HCED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccco2)CCO1 1731187371 OCLAVGFEJQPCCN-AWEZNQCLSA-N 413.438 0.152 30 20 HCED COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(C)(=O)=O 1768919542 IKJMOFKNCVJGST-SFHVURJKSA-N 422.486 0.869 30 20 HCED COC(=O)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)cn1 1778203951 VGTLIYLAICOTCW-OXQOHEQNSA-N 400.435 0.909 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891968 QVYHOMZJXCCVFL-IUODEOHRSA-N 412.430 0.876 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1779139352 BVFRYTHUXQGGCA-DNPICXIKSA-N 402.495 0.870 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)O2)C3)c1 1780344563 GHDPLCTVBHECNU-CSODHUTKSA-N 412.446 0.794 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1781400399 LLUSBOYHRLHWNR-YWZLYKJASA-N 420.466 0.640 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)N2)CCO3)c1 1781961802 RMWLOKLXSZDHRN-OXQOHEQNSA-N 400.410 0.419 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1782053114 SUXBMMUTRCBVCG-NRFANRHFSA-N 413.478 0.581 30 20 HCED COc1cc(C)c(C)cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782098309 VDHMJIBOGFXFIY-NRFANRHFSA-N 400.431 0.844 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)CCO2 1783055548 SBGUUPDAPROYMJ-GOSISDBHSA-N 410.879 0.820 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)C[C@@H]21 1783533114 QBZVYXHBGDHIBE-QNARMGAWSA-N 413.877 0.749 30 20 HCED Cc1ccn2c(=O)c(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](C)S)C4)C3)cnc2c1 1783893213 KLWTZBBQHFFREL-VLIAUNLRSA-N 416.503 0.765 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCc5nc[nH]c5C4)C3)C2)c1 1784351627 LXAAFAZRJSBIHX-YCRPNKLZSA-N 408.462 0.858 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784382438 ZWDYFSCWYOEZLH-VMXHOPILSA-N 402.491 0.969 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnc3C)C[C@@H]21 1784481437 PXFQLDBHSDJYCP-PTIUUAQKSA-N 402.495 0.771 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1785076056 OSQURWNNGODQKE-KSFYIVLOSA-N 424.505 0.597 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1785379538 KKVKENXPDTXDLD-NRFANRHFSA-N 423.429 0.164 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OC)c(F)c3)[C@H]2C1 1785633328 GFVNSTNJDPFEJE-DNUAJFIVSA-N 419.453 0.861 30 20 HCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)on1 1786067484 FIDXSPQPQFSDLN-ZOBUZTSGSA-N 403.483 0.858 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21)c1nc[nH]n1 1787220334 VZGLDJGYSFCOMD-NYBAQFBVSA-N 415.475 0.899 30 20 HCED Cn1ccc2cccc(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)c21 1788026330 KPLJHRFFJHAOOM-SZMVWBNQSA-N 409.442 0.860 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1788521361 OUDZGCGXWKCDJW-VIQHNZTISA-N 418.494 0.333 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C[C@@H]21 1788574960 PHWIRFZSQFZCPF-SXWOMNNJSA-N 419.566 0.879 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788621763 JYDNCUUBAMLUTL-FPSMNIFISA-N 417.510 0.848 30 20 HCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)cn2[nH]cnc(=O)c12 1789176378 CMBRWIBDQRSTQZ-BPUTZDHNSA-N 424.461 0.228 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(N)n3)C[C@@H]21 1789890216 DXLMRGARUHFTLI-YDHLFZDLSA-N 422.507 0.828 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])C[C@@H]21 1790793966 QYJOFUVHPMXDHE-OWQGQXMQSA-N 400.435 0.887 30 20 HCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc2c[nH]nc12 1791077544 FZVDTLSEOGTIIY-JQFCIGGWSA-N 410.430 0.553 30 20 HCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1791132390 LIOXUAVOXGFAPD-UFYCRDLUSA-N 422.522 0.449 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cnnn3)[C@H]2C1)C(F)(F)F 1791690046 GKXIPEIWMLOTDK-CYDGBPFRSA-N 402.377 0.332 30 20 HCED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793173396 NJLMDWYGGINWCE-JLVBRIDZSA-N 403.435 0.146 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793346064 ZFNRGYCGJKIRJM-HEFCWWFNSA-N 413.449 0.868 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)Cc1ccccc1)C2 1793347891 NCVPPPSLOVXTFS-LFZDHENXSA-N 400.475 0.218 30 20 HCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C#CC(=O)O)C3)C1 1793427040 GDNREKSGENIADG-MUJYYYPQSA-N 417.462 0.890 30 20 HCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)nn1C 1794723070 KPDADOMYJROBBB-XEMDLRDOSA-N 414.506 0.630 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1scnc1C 1794798275 KDGZBDVKEOAGOC-ZXVJPIRHSA-N 404.492 0.513 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ncccn3)c2c1 1794818093 SZPRWOKSFJBESU-XOIINTDNSA-N 417.429 0.742 30 20 HCED Cc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccccc2=O)c1 1795776483 VKNKKIINMMDLID-HATOLVCRSA-N 420.469 0.932 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)c1 1795861142 PBAOUYSOJOEGKK-KUZCPNRJSA-N 409.450 0.204 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2cccnc2n1 1797356926 MKGZQDNMDLAVHS-RMRDIRSESA-N 408.458 0.871 30 20 HCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)no1 1797781305 GFJMPLSLMNXCJQ-HGKCTWBKSA-N 401.463 0.885 30 20 HCED CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1797811167 JOLUGKAJFCXCQF-BNAVPPKKSA-N 419.482 0.704 30 20 HCED Cc1ncncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1798200036 CTEBOAIBINWNTE-UPHUGPLXSA-N 421.457 0.939 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C 1798279630 WFGOCTUOTNEPGZ-JLVBRIDZSA-N 402.451 0.498 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CC)n(C)n1 1798323531 DAINGHOBJQMEMQ-LTCOOKNTSA-N 404.511 0.759 30 20 HCED O=C1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@H]2CCCCO2)CCN1 1798500228 RBUABFUFKHSTLN-JFJSTDCTSA-N 406.483 0.680 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)cc1O 1798831178 ARNBSTYVYADFTR-ZTENYAIWSA-N 402.447 0.642 30 20 HCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799192684 GBUFHWWVCKKEKI-OPVJXMOQSA-N 402.539 0.160 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3nn[nH]c3c2)c1 1800142633 HLNMJKJCHOCEDQ-ZSBFGKGUSA-N 405.418 0.675 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1c[nH]c3ncccc13)C2 1800778611 JLAIHELLEGVSNP-YVWYUNDQSA-N 410.430 0.173 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cnc3[nH]ccc3c1)C2 1800781001 CCDWWGKOSGUMDA-CWPLJXCYSA-N 410.430 0.173 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)c3nncn3c1)C2 1800984964 NGAUVNCJTRLRMU-ZKCLLBTKSA-N 409.899 0.904 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1800986283 JNQCACMWRRUILL-KOFHJDLBSA-N 401.492 0.993 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3sccn13)C2 1800986538 YDECNQKDGCJJOW-NJBDSQKTSA-N 408.505 0.278 30 20 HCED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)[S@](=O)c1ccccc1 1801277057 JPCJFLNUNWRQNT-MSYHULSNSA-N 402.472 0.909 30 20 HCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)COc1ccccc1C#N)C2)n1cnnn1 1803095034 HSGLHRVKKSGWDH-MXASKKJJSA-N 409.450 0.823 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@@H]1c1cccnc1 1806851729 JTBKEOFXBMYBFX-WBVHZDCISA-N 414.535 0.875 30 20 HCED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807042710 LYDWFGGTZJEMNQ-GJYPPUQNSA-N 419.551 0.599 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@H]1c1cccnc1 1808370236 AOLXIHYOCSEWBK-BLLLJJGKSA-N 412.362 0.121 30 20 HCED COc1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nc1 1808897849 DSOVAOCKGDFHPR-QRWLVFNGSA-N 408.414 0.893 30 20 HCED CCCC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810516320 QEWFVCUTFCGPOE-PTSWNOGYSA-N 414.462 0.480 30 20 HCED CC(C)(C)n1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nn1 1812877394 IAMMBUHETQBSGF-BEFAXECRSA-N 424.461 0.836 30 20 HCED CN1N=C(C(=O)N[C@H]2CCc3nc(NC(=O)C4(C#N)CC4)sc3C2)CCC1=O 1814465027 VILLSSMFZCCVFD-JTQLQIEISA-N 400.464 0.967 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)C3CN(C)C3)sc2C1 1827262733 FASNAGNSFSCMRQ-FWWRYZNZSA-N 403.508 0.475 30 20 HCED NC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C/N=C/c1ccco1)CC2 1828322717 RVHCIEVZMOUTEJ-WDPYWSEUSA-N 404.452 0.436 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1830646092 QKRCKJFOLVLVEK-FQEVSTJZSA-N 409.483 0.567 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC3CCCCC3)C2)C1 1831388362 RTENFRIHBPIUHV-AVRDEDQJSA-N 422.522 0.830 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831481598 AMGHMYJMWRQHRS-FRQCXROJSA-N 415.556 0.312 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833574006 QLIFEIYZOWAMIF-SJCJKPOMSA-N 414.459 0.171 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1834768787 OUIKQKUHZGKRQA-OAQYLSRUSA-N 411.462 0.866 30 20 HCED Cn1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cc1O 1835096703 GMVDGAUEGFBMAK-QFIPXVFZSA-N 424.457 0.247 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1835677881 YYXSJHWKVPLXIX-KSSFIOAISA-N 414.453 0.380 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837118087 TZZFCTPSKQXNFE-PBHICJAKSA-N 420.510 0.795 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1837306134 UJYHCHOHFGRSKR-KNQAVFIVSA-N 421.538 0.543 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1837391100 HUIBNYNUXRTLTK-CKJXQJPGSA-N 412.527 0.423 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837403622 WOHGMVZZHORFEJ-DYESRHJHSA-N 408.495 0.710 30 20 HCED CC(C)(O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838950492 YSLBHTNVOMCZPS-NRFANRHFSA-N 401.463 0.789 30 20 HCED CC(C)N(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838952089 AKRYYSRPQAKMEO-JOCHJYFZSA-N 414.506 0.968 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1839228286 YNYAZFAGZYJLAJ-FRQCXROJSA-N 422.486 0.096 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1)C(F)(F)F 1839893075 LINZQVSNKLJRJQ-LRDDRELGSA-N 422.404 0.008 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840174372 ZAIJLDBSLLKYIQ-HXUWFJFHSA-N 404.467 0.571 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCNC(=O)C3)CCO2)C1 1840230748 UDCDWADVTNAXTR-JTSKRJEESA-N 421.538 0.961 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840438656 JDQHTKCOMLOORV-MBOZVWFJSA-N 406.483 0.492 30 20 HCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816048 NIBANIFKJSPDDW-HNAYVOBHSA-N 411.524 0.251 30 20 HCED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2)C(=O)O 1842950621 ORSNOLZNMVOFMJ-GFUIURDCSA-N 405.476 0.753 30 20 HCED C=C(C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1)C(F)(F)F 1844287803 QUABQNWEYVKJJU-ZDUSSCGKSA-N 406.357 0.803 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845176894 XCSOMQXFZGWGSA-CABCVRRESA-N 408.499 0.794 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2ccc(F)cn2n1 1847262203 KYVQFRHBUHGQQM-LUNKNMTDSA-N 412.425 0.542 30 20 HCED Cn1c(N2CCN(C(=O)c3ccccc3OC(F)F)CC2)c(C#N)c(=O)n(C)c1=O 43537497 ATNLNPWBUZKYLB-UHFFFAOYSA-N 419.388 0.519 30 20 HCED C=CCNC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 52115499 HIACTBDQKJVDBA-OAHLLOKOSA-N 409.508 0.845 30 20 HCED CCNC(=O)COc1ccc(CNS(=O)(=O)c2cccnc2C#N)cc1OC 428268375 DRQZBGLQUXMCHN-UHFFFAOYSA-N 404.448 0.955 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C1CCC1 431041384 UBOIAJZNFUYALV-UHFFFAOYSA-N 414.487 0.304 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)C(=O)Nc3cc(C)n(C)n3)c(C#N)c2N)cc1 439442929 MWUIKDKYJDVJFJ-UHFFFAOYSA-N 420.477 1.364 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)nn1CCC#N 440105176 LOIZLBNZDGGXCB-DOTOQJQBSA-N 408.462 1.350 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 440716429 YKQYAYGTLKULJY-UHFFFAOYSA-N 423.491 0.574 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)cc1 442294709 RETCRXUYVFFPHY-GJZGRUSLSA-N 408.524 0.983 30 20 HCED C=C[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 461351096 OHEWLYSKFJVTTO-LLVKDONJSA-N 406.302 0.882 30 20 HCED CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465460004 RONNHBRFQISSKN-RDJZCZTQSA-N 420.539 0.980 30 20 HCED C[C@H]1C(=O)NCCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 472173125 ONDXPRBNLHKVDB-AWEZNQCLSA-N 412.450 0.665 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cn2)C[C@H](C)O1 475187064 WDGYXZPPTFISPU-GJZGRUSLSA-N 424.461 0.645 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 479950164 MVILIUPCOBPNHK-HXUWFJFHSA-N 402.520 0.841 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN2CCOCC2)CC1 480531172 SIKRDOPZTKAJPJ-MRXNPFEDSA-N 420.535 0.796 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OC 481581426 WMOJAVXILKJKSH-CYBMUJFWSA-N 418.493 0.150 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 481982282 PQDQOOFUQUJVTC-GFCCVEGCSA-N 414.512 0.683 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)C2=O)cc1 486621290 RVAWXWYNUUKHHM-LJQANCHMSA-N 424.482 0.924 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccn(CC(F)F)n3)C2=O)cc1 488669752 BEPKTTMVYSRHTN-AWEZNQCLSA-N 416.388 0.876 30 20 HCED CCn1nc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)c2ccccc21 489023253 ITNBLUGBUNIWRP-ZDUSSCGKSA-N 408.483 0.925 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 492054433 MWAYSFOHNLRBLX-CQSZACIVSA-N 409.464 0.183 30 20 HCED Cc1ccc([C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H](C)S(C)(=O)=O)cc1 499664403 ZDYGOTRRZHCIEJ-CWRNSKLLSA-N 401.510 0.528 30 20 HCED C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 507551513 MJZFHRCADUGUHI-CQSZACIVSA-N 419.507 0.806 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(I)cc1Cl 508981903 UCXSVOWUAKIMCQ-UHFFFAOYSA-N 420.594 0.639 30 20 HCED COc1cc2c(c(OC)c1OC)CCN(C(=O)NCCn1cnc(C#N)n1)CC2 510630140 ROSPPXFBDUPJFL-UHFFFAOYSA-N 400.439 0.986 30 20 HCED C=CCN1CC[C@@H](N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1=O 513049872 BWDYEVUOSUTXBE-MRXNPFEDSA-N 424.479 0.839 30 20 HCED N#C[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@]12C(=O)Nc1ccccc12 513667321 SWVQHWXHAYKVRE-ZHRRBRCNSA-N 407.474 0.413 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 517848238 KZASBJFLWYIRFI-SFHVURJKSA-N 419.503 0.713 30 20 HCED CN1CCC(C#N)(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 521859257 ODENNYALHISWSQ-UHFFFAOYSA-N 420.535 0.744 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 522568475 YSZYWNLKBCOOSC-CQSZACIVSA-N 407.535 0.595 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2csc(CC)n2)c1=O 523079442 GEZLDWHFSAEHOK-UHFFFAOYSA-N 420.560 0.993 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 524803612 CXBQCBSNPKTSSZ-MRXNPFEDSA-N 416.526 0.932 30 20 HCED CNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 537251373 UQJQADDBMUNETB-IBGZPJMESA-N 401.486 0.993 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 552520451 RZQHBRWJOXHUEO-UHFFFAOYSA-N 410.584 0.815 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 557732860 FOQVVTPSHHUROP-IRXDYDNUSA-N 408.543 0.533 30 20 HCED CCOC(=O)c1c(NC(=O)NCCS(=O)(=O)N(C)C)c(C#N)cn1CCOC 564133156 VDRLFHUVKODSNV-UHFFFAOYSA-N 415.472 0.196 30 20 HCED CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 573469120 AXXZGJKJUOJVCJ-INIZCTEOSA-N 405.474 0.477 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 575857204 OYKNWBFNSFCWHE-UHFFFAOYSA-N 400.545 0.722 30 20 HCED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 609214066 OWUHTOVXRPGPDQ-RBUKOAKNSA-N 405.543 0.394 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)C2=O)cn1 609813301 QWMCGPDINDHFQG-LBPRGKRZSA-N 418.360 0.753 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CCN1Cc1ccccc1 609946444 WIRKREXCFJBPJW-QGZVFWFLSA-N 416.445 0.837 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(CC#N)CC2)cc1 611675307 GGZFCKQQBWEURE-QAPCUYQASA-N 407.492 0.971 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)c1 614605778 MFBWARLZIGEABT-INIZCTEOSA-N 422.551 0.823 30 20 HCED CCOC(=O)c1n[nH]c(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 615920320 WASREXHCHGMXAN-UHFFFAOYSA-N 406.424 0.103 30 20 HCED N#CCn1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc2ccccc21 615931217 BSRXBSLHFCZMEK-MSOLQXFVSA-N 402.476 0.081 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c(C)c([N+](=O)[O-])c1 617074817 QCAOMMLUIVSHOL-UHFFFAOYSA-N 403.395 0.733 30 20 HCED C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 642188238 AFZGNJUJBPBBEM-IRXDYDNUSA-N 402.561 0.383 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3ccccc3OCC#N)CC2)CC1 729979854 GXDAWTDAJDKRLD-UHFFFAOYSA-N 413.522 0.899 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 730395568 GQHKZBYZVQMOHA-GDBMZVCRSA-N 424.523 0.921 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 741343107 ZCYMSIUZMBPHLX-BZSIDJSBSA-N 407.423 0.248 30 20 HCED C[C@H](CC(=O)Oc1ccc(OCC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 744175120 KTUQWCDWFBGVJA-GFCCVEGCSA-N 417.443 0.973 30 20 HCED CN(C)CCCOC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 748747662 SBZRGKPFFWOYIN-UHFFFAOYSA-N 408.524 0.684 30 20 HCED C#CCN1CCN(C(=O)CN2CCC(C(=O)NCCCN(CC)CC)CC2)CC1 749118271 XWIGTCPKWQSOQQ-UHFFFAOYSA-N 405.587 0.324 30 20 HCED C#CCN1CCN(C(=O)CSc2nc(O)c3c(C(=O)OC)cc(C)nc3n2)CC1 750000800 GNAFJVXZQKYFHC-UHFFFAOYSA-N 415.475 0.695 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cnc3nc(O)nc(O)c3c2)C1 757587675 KXFVNYVBSYRVHC-CMPLNLGQSA-N 400.395 0.925 30 20 HCED COc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(N)=O 758641875 CNDZYXVXFRIOCL-FZMZJTMJSA-N 424.479 0.831 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 761030745 LOLMLPSRPSFBFQ-LJQANCHMSA-N 404.536 0.608 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(C)n(C)c2=O)CC1 765315946 RSOKTAKCUYMPEX-UHFFFAOYSA-N 423.311 0.354 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nn[nH]n2)cc1 773157849 LMUIERZBXRWAOQ-ZDUSSCGKSA-N 407.481 0.322 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2C)c1 774018654 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30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833481593 PPZXSPLEEHEYHN-HNNXBMFYSA-N 424.567 0.542 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833653813 ZWGXRVHUDUDRCL-FQEVSTJZSA-N 410.434 0.251 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834607220 APSSEJIUQNDYRE-HXUWFJFHSA-N 408.499 0.478 30 20 HCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc(OC)c1C 1834767350 GOCLFIMTEVAVID-OAQYLSRUSA-N 417.462 0.996 30 20 HCED Cc1ccn(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835095815 GPXZBWBURAEGKE-HSZRJFAPSA-N 422.485 0.700 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835188338 SBUWFOIIESDQRI-VQIMIIECSA-N 400.541 0.824 30 20 HCED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835232490 QHHLQMLACKPOEI-SGSXCFNPSA-N 422.503 0.980 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1835352335 UEZLBAKFJBRHLT-OAQYLSRUSA-N 411.462 0.637 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1)C(F)(F)F 1836171786 QAHRFTXVYDHTHP-INIZCTEOSA-N 402.373 0.458 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1837305655 FVTINUXXRUWAEQ-GHTZIAJQSA-N 410.511 0.874 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1837306120 UEWNTLHRASQIER-KXBFYZLASA-N 410.540 0.838 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837362520 IXBBVKRWQCFPBC-FOIQADDNSA-N 404.467 0.087 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1837662080 SNKFXBJMQBOADP-FQEVSTJZSA-N 405.499 0.878 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1 1838755796 LZAWWCUHCMZXBL-OAQYLSRUSA-N 415.494 0.517 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838798867 IPGXRVBQXVHMNH-SFHVURJKSA-N 411.480 0.156 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccn4)C3)C2)c1 1838906505 NBPHKPYLCHVGSO-NRFANRHFSA-N 407.430 0.732 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c(C#N)c1 1839132154 WDWLARNGDIFUKS-OAQYLSRUSA-N 412.446 0.479 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=C(C)OCC3)C2)C1 1839224339 JJPHAKPSBVXXMV-OXJNMPFZSA-N 409.483 0.938 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn(C)c4)C3)C2)c1 1839451661 IALNHKOFDHVRNE-JOCHJYFZSA-N 423.473 0.984 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839639039 GXUOLGPBINANCT-WMZHIEFXSA-N 413.518 0.835 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1)C(F)(F)F 1839893210 OJQZLQVQMXZWEP-MRXNPFEDSA-N 402.373 0.907 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1840170559 NUBCILCUAABAHT-NRFANRHFSA-N 400.479 0.669 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840216872 TVPPIWPYHFLJOL-UTKZUKDTSA-N 408.495 0.710 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840294139 PSYSRJODDIWSOX-OAQYLSRUSA-N 418.494 0.692 30 20 HCED 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N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccn1 474197355 OBEVLTISNNKTHJ-UHFFFAOYSA-N 414.443 0.871 30 20 HCED CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(C)c1C#N 476317785 GGWQURFNEVLZNK-UHFFFAOYSA-N 418.479 0.997 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 491152650 ACCSSHYRIONQIP-UHFFFAOYSA-N 409.284 0.834 30 20 HCED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 499721785 BXNFQMCPRLCPEU-WBMJQRKESA-N 413.434 0.730 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1Br 500694402 CWIJKRBJKZTERN-UHFFFAOYSA-N 418.211 0.033 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N(CCOC)Cc2ccc(C#N)cc2)cc1C 504423943 KEDGGQQJBOATJK-UHFFFAOYSA-N 412.450 0.423 30 20 HCED C=CCNc1nnc(SCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)s1 504997923 GIHKQKGFLDWMRY-LLVKDONJSA-N 406.555 0.890 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508817945 QLLCWXMYXNGZIS-OAHLLOKOSA-N 408.503 0.361 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)S1(=O)=O 509739970 LLRITCYBDBFTPY-IUODEOHRSA-N 416.463 0.502 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)c(Br)c1 519648234 KAOFBECIFYDOJD-VIFPVBQESA-N 409.283 0.766 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)n1 521655898 BPUMGPNLPVQTND-UHFFFAOYSA-N 409.454 0.425 30 20 HCED C=CCN1CCC(NC(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 522985858 QLOPLSWCDBPPEB-CQSZACIVSA-N 423.539 0.871 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)s2)c1=O 530892755 ASXVXCRFOFUFMU-UHFFFAOYSA-N 414.512 0.661 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)C4CC4)CC3)n2)cc1 531398112 YNVKMZFTTJEFIP-UHFFFAOYSA-N 407.434 0.217 30 20 HCED CC#CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 533238516 PXEZJLCXARDCBT-UHFFFAOYSA-N 408.480 0.761 30 20 HCED Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2ccc(C#N)nc2)c1 534972330 NFDVWQKTNUGETG-UHFFFAOYSA-N 418.460 0.896 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 537454349 RHBLYBFAOIOJDV-UHFFFAOYSA-N 408.480 0.207 30 20 HCED CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 538348832 XSPHABGDYXWDMJ-ROUUACIJSA-N 423.514 0.158 30 20 HCED N#CCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 542360516 DHVPBKJEKOGOTL-CYBMUJFWSA-N 400.482 0.577 30 20 HCED C[C@H](c1ccccc1)[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(N)=O 551353417 JNOYMIGZQMVEEQ-FZKQIMNGSA-N 417.429 0.851 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC#N)CC2)cc1 553651140 OXODHAQYCIARBD-UHFFFAOYSA-N 408.480 0.242 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 555852758 IFDSYAOUHZPWTR-HNNXBMFYSA-N 407.478 0.618 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 561433425 XZWPUUAITGWVCV-QGZVFWFLSA-N 421.461 0.792 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 563699437 WNQSLGMAGQCPHU-QZTJIDSGSA-N 413.522 0.428 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCc2cc(C(N)=O)no2)n1 564035258 JQUQOIMFBRFABE-UHFFFAOYSA-N 413.781 0.739 30 20 HCED CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 567224834 BYROCRSSNSEHMZ-WMLDXEAASA-N 414.462 0.970 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1 568434385 XFRDCYKXELRVIJ-MJGOQNOKSA-N 400.479 0.079 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)c1C#N 572891893 ZHKPCICOSHIHQK-UHFFFAOYSA-N 416.492 0.810 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)c1C#N 575096589 YGRHKLBWZAWIMC-QGZVFWFLSA-N 415.542 0.485 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 582449246 RHFGAYRGASPCEC-UHFFFAOYSA-N 410.452 0.788 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 588289053 OKHPGRFISCALDP-SNVBAGLBSA-N 403.424 0.152 30 20 HCED CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 588767010 UIGIQOMADQOGIP-IBGZPJMESA-N 404.474 0.905 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)n1 589393134 LGOUERZFRDHRDR-HNNXBMFYSA-N 409.450 0.401 30 20 HCED COC(=O)c1c(F)ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1C 589412935 AICFICXZAKKAJN-UHFFFAOYSA-N 416.413 1.127 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@](C)(C#N)CN(C)C)c2)CC1 589826927 FMELQOROCVMYPI-LJQANCHMSA-N 421.523 0.113 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC1 611147652 XDBBBUNXNSHWDU-UHFFFAOYSA-N 420.408 0.960 30 20 HCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)nn2)CC1 611239551 CMXXSCUXOBTYOU-UHFFFAOYSA-N 405.436 0.856 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccnn2-c2ccncc2)CC1 611546021 UUFACTFOGQCIOB-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)n1 682874937 GGWKEMWRJLQLJC-UHFFFAOYSA-N 412.471 0.061 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 685171336 GPYSLYRXYKGHEO-RHSMWYFYSA-N 402.499 0.187 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732798497 YSDAZTDTBZMGTR-UHFFFAOYSA-N 415.519 0.505 30 20 HCED C#CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 733163347 KSEMPWKGTMZVEF-UHFFFAOYSA-N 414.325 0.895 30 20 HCED Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c1C 748423162 YDPYUIFTSKXWFR-UHFFFAOYSA-N 419.463 0.637 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)c1 748746700 UFGBOEAIFANICB-MRXNPFEDSA-N 407.517 0.734 30 20 HCED COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 751090693 SCCCJFSKQMJEPD-CCEZHUSRSA-N 413.839 0.931 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccoc2)CC1 760913849 WVPKZNZUKMBZIS-UHFFFAOYSA-N 403.416 0.841 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)c2nc3ccccc3s2)CC1 761036801 JXXDTOJPTJWEIQ-UHFFFAOYSA-N 407.521 0.344 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 765491289 VXPPCKYXACOCRC-WPCFGXOUSA-N 408.455 0.655 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 765692451 RUZNODMNUINCCC-GOEBONIOSA-N 402.451 0.926 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1cccc(F)c1 765888837 BEJWYQOMJREUHR-XJKSGUPXSA-N 421.450 0.920 30 20 HCED CCC1(CC)NC(=O)N(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)C1=O 766982170 MJFPLKSYGCGWHW-UHFFFAOYSA-N 408.436 0.482 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 768584893 WMEDNMHICQXHMS-SJORKVTESA-N 420.535 0.609 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 771754601 VOWGPSHPAJDIPH-GOSISDBHSA-N 411.487 0.893 30 20 HCED C#C[C@@H](NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12)[C@H]1CCCO1 775343677 ZHWGWTMUOWQTDB-VXGBXAGGSA-N 404.500 0.194 30 20 HCED C[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 776293492 JNMFLUAKBNLTFK-AWEZNQCLSA-N 405.480 0.246 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 783616906 SHPOSYOANXQJDY-UHFFFAOYSA-N 403.420 0.419 30 20 HCED COC[C@H](C#N)OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 784933738 IQXSXPPLTYJTQD-JQWIXIFHSA-N 407.242 0.170 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(S(N)(=O)=O)CC2)ccc1F 785581752 UXILCSZOMMOHSZ-UHFFFAOYSA-N 405.473 0.183 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2csc(C)n2)CC1)c1cc[nH]n1 789952728 HSQRISWUSGQNHC-UHFFFAOYSA-N 420.495 0.803 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 790956867 NCEBCRUWNKOGEQ-UHFFFAOYSA-N 404.442 0.589 30 20 HCED CS(=O)(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 791474159 XUWXSVUVJABRSX-UHFFFAOYSA-N 408.457 0.983 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 796577824 YWPIKMSXMOLKHE-SFHVURJKSA-N 419.323 0.699 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C#N)CC2)c1 797544650 WCMWJQARVGXDFG-PXLXIMEGSA-N 403.464 0.858 30 20 HCED C=CCN1CC[C@H](N(C)CN2C(=O)CN(c3cccc(C(=O)OC)c3)C2=O)C1=O 799141995 HZQRBFJRWQDOMD-INIZCTEOSA-N 400.435 0.918 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 799286881 KTXSTAGCVDWGPM-DOTOQJQBSA-N 421.519 0.936 30 20 HCED C[C@H](C#N)OCCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 801934680 QDEVNEOUDVEBSC-CQSZACIVSA-N 402.517 0.482 30 20 HCED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)Nc1cnn(CC#N)c1 802631728 MMOYLIRDORCVCA-ZDUSSCGKSA-N 404.452 0.218 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 804010714 UEMALAQUCCGAFM-QZTJIDSGSA-N 413.478 0.570 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CO)CCCC2)c1 810418517 RNWPADUSTMPPJA-JWGURIENSA-N 422.507 0.859 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 810779986 JKXGYWMQTKVVHF-UHFFFAOYSA-N 414.505 0.353 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249019 FCCHSMAEPKNMEU-UHFFFAOYSA-N 407.446 0.587 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 815848935 QQEFYXYMWGRTHU-SFKFPXOQSA-N 408.480 0.685 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C)c2)c1=O 837715238 WJGLWBQLQPROBC-UHFFFAOYSA-N 408.487 0.836 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 858007308 UFGKKWQQIJJBFH-DZGCQCFKSA-N 405.476 0.965 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1 913375198 LHGHJKIYIOOEQI-NSHDSACASA-N 413.415 0.430 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C1CC1 915009368 VZWBWJZEMIMYQZ-LJQANCHMSA-N 421.475 0.673 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 917272379 PEEAAMVEEDJXRP-XHDPSFHLSA-N 404.402 0.848 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1097097092 HHDWQQWJUOPLNW-XABWRGDLSA-N 402.495 0.287 30 20 HCED CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1313857293 LRYIVQNDYNEZGX-KSSFIOAISA-N 418.527 0.970 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C#N 1314542059 IUWUVPNPYKKFAR-AWEZNQCLSA-N 408.532 0.946 30 20 HCED CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315048083 PHJUXJUPGNSOLJ-UHFFFAOYSA-N 420.481 0.408 30 20 HCED C=CCn1c(Cc2noc(CS(=O)(=O)C(C)(C)C)n2)nnc1N1CCOCC1 1320223405 SLXDLCOAIOOZHE-UHFFFAOYSA-N 410.500 0.988 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1505140154 UELFFKHEELJSQD-CKEIUWERSA-N 412.491 0.648 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1668258167 YVZPZKCFMVVVMH-HZPDHXFCSA-N 402.469 0.853 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCN2CCC3(C2)OCCO3)C1 1685409127 UQQRQSOLVMHLHO-CABCVRRESA-N 409.487 0.493 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1712876056 LHSDNIULLCKDQZ-KZULUSFZSA-N 401.402 0.694 30 20 HCED CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1741248099 RULJRVGNGLKPJS-INIZCTEOSA-N 417.514 0.354 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cnnn1C 1741920162 JWVPWZWVDIQPAQ-GFCCVEGCSA-N 407.504 0.195 30 20 HCED C=C(Cl)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1749281854 MXGCHFPJKAALKH-OAHLLOKOSA-N 407.924 0.668 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)CC1 1771535756 XXJSEILVMJOKOL-QGZVFWFLSA-N 423.477 0.882 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C(C)=O)CC2)C1 1778910591 OLGCCJIHENTEPU-DENIHFKCSA-N 418.538 0.078 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cnc(O)[nH]3)C2)C1 1779644498 QPZLMYPLZVOZCU-ZCTOSJTPSA-N 407.427 0.088 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780026528 AWBRISVCFVHHON-XOBRGWDASA-N 401.419 0.292 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780425260 JBSPKALAXLHEFM-FOIQADDNSA-N 402.451 0.357 30 20 HCED C[C@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1781246294 WEMKWYHMODUZQU-DROOOQRISA-N 405.476 0.451 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1781270361 JBDGFOWHOSZCFF-GHTZIAJQSA-N 424.494 0.913 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781488195 UXZPLEMCJHBQPN-DNVCBOLYSA-N 424.448 0.969 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782725798 KCFPPPAVMPIAGZ-JOCHJYFZSA-N 411.506 0.763 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3conc3C)C[C@@H]21 1783530055 BXSGSZSCNVWQFT-HBRMBBLDSA-N 402.451 0.435 30 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Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1836295505 LEQWQXLDHUGCNM-OAQYLSRUSA-N 424.461 0.298 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCO5)CCO3)C2)CC1 1836968657 PLCSBBBVCCCRQI-HXUWFJFHSA-N 415.450 0.039 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837703058 UEAXJJGYEFMVHJ-UWJYYQICSA-N 405.495 0.327 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837814021 BMFMUFRIDVOPED-QRWLVFNGSA-N 405.451 0.448 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838767807 ULLMNONEKVFHLC-HNNXBMFYSA-N 403.361 0.470 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1838968366 BXZINEKITVAEDF-IERDGZPVSA-N 402.447 0.501 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1839225841 WFVQBLHMDJVWPF-KEYYUXOJSA-N 403.426 0.899 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1839226280 KGJAMDJENUJTIY-NSISKUIASA-N 410.515 0.386 30 20 HCED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(CC#N)cc2)CCO3)cn1 1839362425 RULAQDGXZBTCKQ-QFIPXVFZSA-N 423.473 0.870 30 20 HCED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362487 WKGUPDABNGTSSO-QFIPXVFZSA-N 423.473 0.870 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839637595 NNKWOBLKAMSEGZ-OFNKIYASSA-N 424.501 0.622 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CNC(=O)C1)CCO2 1839867046 RKHLLFLOXGSLTQ-UTKZUKDTSA-N 405.495 0.347 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839887809 JCAXTOLNEAUVRR-KRWDZBQOSA-N 412.393 0.464 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1)C(F)(F)F 1839892142 WCEZBDNVOZIIPB-KRWDZBQOSA-N 414.384 0.594 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840129709 BQFMOKMWEZDOPO-NPJIFZGSSA-N 422.526 0.530 30 20 HCED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1 1840162485 YIRCMSISKLUBBZ-UGSOOPFHSA-N 410.496 0.264 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1840291296 MCLUQYJVPKLUOD-CTNGQTDRSA-N 404.463 0.963 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)C2 1841599991 YCIWCJBKGKXZQA-HNNXBMFYSA-N 419.503 0.482 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1841601490 POBUSMIAJPVDCZ-MRXNPFEDSA-N 400.479 0.529 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843999023 SWZNICJIBPGTAN-MRXNPFEDSA-N 415.494 0.407 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1844236651 ZGXPLRIEKUNLNV-CQSZACIVSA-N 422.507 0.228 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)nc1 1844795281 SBYQQOPKMXBPGL-UHFFFAOYSA-N 413.459 0.816 30 20 HCED N#CCC[C@H](C#N)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 25694623 PLGYWLNBWPDTSK-CQSZACIVSA-N 411.509 0.084 30 20 HCED CCOC(=O)[C@H](Cc1ccccc1Cl)NS(=O)(=O)N1CCO[C@@H](C#N)C1 409511516 PUGJRWOZNSKRNS-ZFWWWQNUSA-N 401.872 0.873 30 20 HCED C=C[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 426851741 SXCNJMRIPSMTML-CMPLNLGQSA-N 423.413 0.281 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2occc2C)c1=O 440392650 RYGVLTHHPHYPDY-UHFFFAOYSA-N 414.531 0.888 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C(=O)[C@H]2C)cc1 440983794 CCDWDTBFRQZMPS-CQSZACIVSA-N 422.507 0.511 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 446139631 SJVIGPIALZPHRX-ZDUSSCGKSA-N 420.470 0.446 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccnc2)cc1 448348037 GJDYLLAQXFVYCV-UHFFFAOYSA-N 424.504 0.254 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@@]12CCCO2 460663536 SXKPIQFPHQWMHM-ZOCZFRKYSA-N 424.461 1.229 30 20 HCED Cc1sc(NC(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C#N)c1C 467286661 YAZAYQNUOPUXRB-UHFFFAOYSA-N 417.495 0.137 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 474480919 VPFWZKCWBRXYDJ-GFCCVEGCSA-N 401.452 0.002 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 482753233 ORCIBGGWBGNUFC-LXZKKBNFSA-N 409.508 0.869 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(Cc4ccon4)CC3)n2)cc1 491233386 ASJWBCXIAZMGKP-UHFFFAOYSA-N 420.433 0.469 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCc2cc(C(N)=O)no2)CC1 506359980 VVKSGZUACOLPJT-UHFFFAOYSA-N 411.378 0.925 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 508998008 BPKKQCQWQVPFDT-ZDUSSCGKSA-N 413.548 0.704 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1C 509386803 SFFLITBCHCZTLP-UHFFFAOYSA-N 413.528 0.936 30 20 HCED C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511009071 FITZLEBRNQOXPJ-RDJZCZTQSA-N 406.508 0.548 30 20 HCED CN(CC(=O)N[C@@H](CC(N)=O)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 512461082 ZHOGPKHMLBUCOQ-KRWDZBQOSA-N 400.460 0.912 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 517996333 UTRLQJCBBFPGLU-LJQANCHMSA-N 411.506 0.576 30 20 HCED C=CCN(C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)[C@H]1CCS(=O)(=O)C1 522897644 VKNZSHCIHLYHQA-AWEZNQCLSA-N 419.507 0.579 30 20 HCED CN(C)CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540560351 MZILNDBBADUVBA-KRWDZBQOSA-N 418.567 0.163 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H](O)COCC3CC3)n2)c(F)c1 541137133 LSKAWODPZOOYAC-AWEZNQCLSA-N 401.398 0.725 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)n2)c(F)c1 542074973 KWLSSMLXOZPSAT-UHFFFAOYSA-N 414.397 0.187 30 20 HCED CC(C)(O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542076140 WYUYOWYCVJYIPW-UHFFFAOYSA-N 414.441 0.737 30 20 HCED N#Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 543848348 POXDSXUBKSXDRP-UHFFFAOYSA-N 402.432 0.992 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nnnn3C(C)C)c(F)c2)C1=O 544012189 VUALHRXMMRNDNX-UHFFFAOYSA-N 415.385 0.975 30 20 HCED CNc1nnc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 544684490 ITYKSJSMJMFLRW-UHFFFAOYSA-N 406.493 0.527 30 20 HCED Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551608839 ZGEWYLUAOGUAKJ-SCLBCKFNSA-N 408.462 0.695 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 553167607 PDYRTKKNLCFDDL-AWEZNQCLSA-N 419.423 0.027 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 557757495 YCJNGEOMQKOCJY-INIZCTEOSA-N 403.458 0.183 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 558426095 QPPGVXGXIFMHPI-FZMZJTMJSA-N 400.482 0.528 30 20 HCED CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 565622904 VZYVNBQVJGEAHP-PBHICJAKSA-N 414.462 0.575 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 568568107 GJVIRSNDJCKVSQ-CQSZACIVSA-N 402.498 0.014 30 20 HCED CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 569832358 DAKUOJGAFKFEIW-FQEVSTJZSA-N 420.517 0.891 30 20 HCED CC(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc[nH]n1 570980233 UBVQODRZCMJPOG-OAHLLOKOSA-N 418.479 0.729 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)o1 580536066 IFVYLWCTSUOONK-UHFFFAOYSA-N 416.403 0.291 30 20 HCED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)Oc1ccccc1F 584191470 CPNCAFHJESGNNH-GFCCVEGCSA-N 402.430 0.977 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)C1=O 589910020 GZAUHBOCPDQXEO-AWEZNQCLSA-N 412.406 0.922 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccs2)c1=O 603795791 SEVYUFDZRZSQOT-UHFFFAOYSA-N 421.544 0.664 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C 604270371 NLWFUDYDBPUKDN-UHFFFAOYSA-N 416.478 0.166 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(F)c(C(N)=O)c3)C2=O)cc1 617091877 MZGPYLKWPBNGOU-KRWDZBQOSA-N 423.404 0.652 30 20 HCED C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 670216424 KMBKZWVCBLPBBX-UHFFFAOYSA-N 401.533 0.877 30 20 HCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 728571190 DVIFFUCORJVRHB-UHFFFAOYSA-N 418.494 0.408 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)cc1 730094853 TVHWFVNUCBLEGU-UHFFFAOYSA-N 403.464 0.248 30 20 HCED C#CCOc1ccccc1CNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 734172837 SRDKBJQOTMYMKW-QGZVFWFLSA-N 409.508 0.986 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc2c(cc1Cl)OCCO2 737306075 LNDPQRRJHXIODV-FOCLMDBBSA-N 420.809 0.692 30 20 HCED C[C@H](CC(=O)N1CCC[C@@H](N2CCNC2=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 742582458 IDUFLIFRQDTDQW-ZIAGYGMSSA-N 419.507 0.520 30 20 HCED C[C@H](CC(=O)N1CC[C@H](CN2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742708991 SDENXJPBKGQPRP-HZPDHXFCSA-N 420.535 0.684 30 20 HCED CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 743905205 RURJHJXNJSGHLV-LBPRGKRZSA-N 415.855 0.453 30 20 HCED CN(C(=O)COC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(C)(C)C#N 749608404 GYKNQLDFFRSWKG-UHFFFAOYSA-N 403.407 0.937 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1OC 749981011 FPWOSUPMLMVHCP-UHFFFAOYSA-N 413.452 0.286 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 751153765 VDLBQLHHRMVQDN-UHFFFAOYSA-N 408.455 0.727 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 752044938 SAZCUIDLFBPRCH-IFXJQAMLSA-N 418.475 0.048 30 20 HCED CC(=NNc1ccc(C(N)=O)nn1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 756839528 UOSBJMZBGXSITK-UHFFFAOYSA-N 403.468 0.006 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cccc(OCC#N)c1 763023317 NIQRRKPVIDPXFM-LBPRGKRZSA-N 402.432 0.993 30 20 HCED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 776118403 LOOXRFFPTDFQBP-INIZCTEOSA-N 413.521 0.978 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Cc2noc(C)c2C#N)cc1 779533119 WNFMKJGTQVIRLM-UHFFFAOYSA-N 405.432 0.801 30 20 HCED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 781540999 JAXHMWAHYPLFCI-LJQANCHMSA-N 405.458 0.829 30 20 HCED CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)Nc3cnn(CC#N)c3)cc2)CC1 781980733 UGHNFPKPHRUHBI-UHFFFAOYSA-N 423.477 0.690 30 20 HCED Cn1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc2c(=O)n3ccccc3nc21 784400773 PCJNJNNEGAQFLO-MNDPQUGUSA-N 406.402 0.442 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1=O 786376530 IUJKHOQYCNSPSG-GOSISDBHSA-N 412.490 0.784 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@@H]1CCCO1 787854280 ILEVOTOZABNDRW-HBMCJLEFSA-N 412.534 0.778 30 20 HCED COC(=O)[C@H](CSCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)NC(C)=O 790012511 WNZCYUUDFHPMEE-ZWKOTPCHSA-N 418.519 0.806 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C(=O)NCCF 800598241 DOPOEWMFCHSQEJ-OCCSQVGLSA-N 412.487 0.874 30 20 HCED COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802439284 DDAALGWHRSXWFG-HNNXBMFYSA-N 400.487 0.669 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 804987264 YSFXSIQCPBTFFH-UHFFFAOYSA-N 414.325 0.646 30 20 HCED C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)(C)C 807878835 FOORCERZXWOFST-CVEARBPZSA-N 414.549 0.932 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(c3ccnc(N)n3)C2)c1 810764600 PPVNWNLSSMAVLQ-HNNXBMFYSA-N 415.475 0.796 30 20 HCED C=C[C@@](C)(O)CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 810874428 PRLFANVSDNNKJI-MRXNPFEDSA-N 420.509 0.234 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cc1 810941416 YIYIZYCROPOQHM-WMZOPIPTSA-N 403.460 0.437 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ncc(-c3ccccc3)s2)c(=O)n(C)c1=O 811645420 LKBBVAVZYKVYGL-UHFFFAOYSA-N 405.461 0.520 30 20 HCED O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@@H]1CCCN(O)C1=O 820470820 GULWNCHCAQLFBJ-CYBMUJFWSA-N 401.510 0.962 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 916868841 WGQJRARPPJQSTH-VFNWGFHPSA-N 412.446 0.632 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)N(C)C 918271240 VHRJMJNMEBTSLS-QIAIEURZSA-N 409.512 0.504 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@H]2OC)CCOC1 1314142803 UEUABDKNEFCGJX-WOCWXWTJSA-N 421.498 0.710 30 20 HCED COC(=O)[C@]1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1323735422 VAVZLHPKYVYTHI-KUHUBIRLSA-N 400.391 0.212 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1344416496 VJVMCHMNARWLNY-UHFFFAOYSA-N 418.482 0.425 30 20 HCED 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C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1831396641 OKUUZNHHJNDVLX-IERDGZPVSA-N 417.462 0.199 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1831427707 YNZIZYLLZSHVEB-IERDGZPVSA-N 419.478 0.751 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1831497575 GGYNTFNNCAZGTL-MJGOQNOKSA-N 401.573 0.737 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832502838 QDMNMQDLKWWWLJ-DENIHFKCSA-N 414.458 0.696 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832811145 IDSYLLYHRZGWME-UWJYYQICSA-N 420.510 0.372 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)nc(Cl)c4)CCO3)C2)CC1 1833576371 KPJPEBQQZSQFIZ-LJQANCHMSA-N 420.853 0.814 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833624491 RUHIFUBINQHOBH-QFIPXVFZSA-N 423.473 0.751 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1833663670 QGHWICPXZMWNLA-UHFFFAOYSA-N 407.364 0.546 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c(CC)c3F)CCO2)C1 1833733716 FDMDXJZDTRGTQW-VBKZILBWSA-N 422.457 0.220 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833896470 KIKWFYPHBMYMQH-HNNXBMFYSA-N 404.515 0.591 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833966692 PPCYIWHBZDKATE-UHFFFAOYSA-N 400.439 0.274 30 20 HCED CCn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1834411314 NQCVNUIALALUKU-LPHOPBHVSA-N 410.540 0.927 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccon1)CCO2 1834489026 ITMZUWLGGKNEBO-LJQANCHMSA-N 407.423 0.254 30 20 HCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1 1834716688 MKHSCWITWZMSEW-UHFFFAOYSA-N 417.514 0.537 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cscn4)CCO3)C2)c1 1836045647 WBBGSHCZNKLOSV-LJQANCHMSA-N 415.475 0.656 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC=O)CC2)CC1 1836404062 YTIDMAIAEYOCCL-HOTGVXAUSA-N 409.531 0.493 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838680383 AIDVDNBYZGWWOI-XLKWYTADSA-N 418.498 0.260 30 20 HCED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838733151 PPVVUJYAOLSGER-HXUWFJFHSA-N 402.451 0.383 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C(=O)OCC)CC2)CCO3)C1 1839759562 ZHSAQTYJCSBHHR-FQEVSTJZSA-N 406.479 0.752 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Cl)cc3OC)C2)C1 1839810339 RJROADYYCNQLIC-FQEVSTJZSA-N 406.866 0.981 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C3CC3)C2)C1 1840044275 SNKVDEQJHYOBTD-QFIPXVFZSA-N 412.442 0.722 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1840295574 VNMIQZNJJFDTDV-JOCHJYFZSA-N 415.490 0.980 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323400 FZONAFVRLOPRSO-OXQOHEQNSA-N 406.483 0.390 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840410043 RMBFJNVNSHQTCG-UZLBHIALSA-N 404.467 0.524 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnc4)C3)C2)CCC1 1840813166 IWZXPQMJUKSRSN-OAQYLSRUSA-N 414.462 0.611 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(C#N)cc2)C1 1841006362 UFPCAWRGTMUPLB-LJQANCHMSA-N 412.490 0.845 30 20 HCED Cc1nc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c(=O)[nH]c1C 1842182957 AZPRZYUEBCHPGH-CTJICSLTSA-N 417.466 0.733 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccco2)C1 1843076870 NHFFQTNEZCIUPW-SREVYHEPSA-N 400.435 0.071 30 20 HCED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823748 LSQRTQYBHBQWBO-HNNXBMFYSA-N 408.480 0.914 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)c1 1846829602 XTXRBOAMYSWZQH-JXFKEZNVSA-N 412.490 0.781 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN(C)C(=O)c1ccccc1 1847258724 DZOWXWRWOUBOLI-XFIQWEIDSA-N 424.501 0.819 30 20 HCED CCOc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1S(=O)(=O)N(C)C 14268754 MKJYYBYACVQREA-UHFFFAOYSA-N 407.452 0.348 30 20 HCED Cn1nnnc1SCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 30533250 ZJLPEADDCHRVSY-UHFFFAOYSA-N 400.424 0.771 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 52363659 QOKDNAVMJOTCOE-UHFFFAOYSA-N 408.480 0.802 30 20 HCED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 63656072 WQKZHFGQMRMABB-CQSZACIVSA-N 404.485 0.696 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)CCO1 409587241 ULXWIECCDCNXBJ-INIZCTEOSA-N 412.899 0.957 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 435740030 IIEMIGCKGXCEDW-UHFFFAOYSA-N 400.435 0.723 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC12CCN(C)CC2 440943513 RFHFNKHTBUMKBY-UHFFFAOYSA-N 407.478 1.473 30 20 HCED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 461750908 QUCOCSWHMXBDDO-SUMWQHHRSA-N 416.507 0.991 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2 465422502 KAQIYRHRZJWKGF-GFCCVEGCSA-N 405.418 0.519 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)C1=O 465460526 QIXZSYYWXUFACX-UHFFFAOYSA-N 407.390 0.650 30 20 HCED CO[C@@]1(C)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 470933470 SVRLDYBKRYURCN-FQEVSTJZSA-N 420.535 0.892 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1[N+](=O)[O-] 475454208 VOQXXRJXZQEDOS-UHFFFAOYSA-N 404.408 0.776 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)n1 479375895 GSHHRAVDOIFKGX-UHFFFAOYSA-N 412.471 0.010 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 479834729 BSHJWVUBLKKWCY-HXUWFJFHSA-N 402.520 0.841 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCS(=O)(=O)c3ccccc3C2)CC1 481743538 XVTQUGCUEXECNO-GOSISDBHSA-N 404.536 0.968 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN(C)C1CCN(C)CC1 482160827 CICJPQGMGWSMHV-MRXNPFEDSA-N 421.567 0.709 30 20 HCED CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 482826883 NFADSRSULZJKNY-WMLDXEAASA-N 422.507 0.225 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1 488607243 FVRDQFAKPJONOM-MRXNPFEDSA-N 422.507 0.704 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1Br 498995050 BAJTYORTKPDJGW-LLVKDONJSA-N 400.254 0.953 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCSC 502043891 BGBXFVAJRYYBTD-UHFFFAOYSA-N 419.576 0.816 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)N(C)[C@@H](C)CC#N)C2)cc1 509204971 GZWVJAMHNUSPSA-LBPRGKRZSA-N 402.498 0.136 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC2CCN(CCO)CC2)n1 513188875 GEOZKEASTPOJIA-UHFFFAOYSA-N 414.441 0.642 30 20 HCED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 516322123 NYRPPGLGTFKWIP-LJQANCHMSA-N 408.506 0.932 30 20 HCED C=CCOc1ccccc1CNC(=O)N[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 522066571 MSZBMMIXULVZTM-HUUCEWRRSA-N 409.508 0.990 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)cc2OC(F)F)c1=O 522271672 VXCXZRAWOBZSRI-UHFFFAOYSA-N 421.425 0.955 30 20 HCED C=CCNC(=O)c1ccccc1NCC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 531012076 PRNOOASHQOOLHG-HNNXBMFYSA-N 409.508 0.676 30 20 HCED CC(C)c1nnnn1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 531308855 FGVLSZFYHRWRND-UHFFFAOYSA-N 403.468 0.201 30 20 HCED C=C(C)CN(CC)C(=O)CN(CCO)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533035321 XJNOBFRCSDEKEJ-UHFFFAOYSA-N 415.494 0.803 30 20 HCED CNC(=O)COc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1OC 538255899 UKFNSRIWCOFWKU-UHFFFAOYSA-N 400.439 0.702 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 538454669 IVNXMIBROFODLL-ZDUSSCGKSA-N 401.510 0.257 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)O 542858454 IBVIWKSKVKNRJH-CYBMUJFWSA-N 400.478 0.616 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)NCC)C1=O 543682158 GDZILHZROMSLJH-CYBMUJFWSA-N 401.510 0.392 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CN1CCC(C)CC1 544202686 JJSUIGNIPOBWRL-KRWDZBQOSA-N 418.494 0.731 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1 554459262 KUWACXUSOVBLIQ-MAUKXSAKSA-N 410.478 1.149 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(N3CCCCC3)CCOCC2)c1 555016864 ILDBHMOGUSZOHI-UHFFFAOYSA-N 420.535 0.988 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CC2)n1 556086594 DXFXZZNAIKKQJX-UHFFFAOYSA-N 418.501 0.776 30 20 HCED CC[C@@H](C)Oc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccn1 558158380 SFPGXLPQKBDZDH-CYBMUJFWSA-N 413.482 1.143 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 561830078 QCLHWXXXIPLUIG-UHFFFAOYSA-N 416.459 0.819 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)c1 565503253 PMLZZWUBNKUCRS-CYBMUJFWSA-N 408.505 0.986 30 20 HCED N#Cc1cncc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 576988016 YHCJUEIPXUZFBE-GOSISDBHSA-N 400.460 0.702 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1cccc(F)c1 581459851 NOJGZIMIYLOXSZ-ZDUSSCGKSA-N 418.454 0.503 30 20 HCED Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n1 582033681 OMQUMRJPVNAULL-UHFFFAOYSA-N 421.421 0.113 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](Cn1cccn1)c1ccccc1 588231028 VZUFJRSFZUSQCV-GOSISDBHSA-N 420.477 1.009 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)nc1 588335559 XODLCAILBPFZRE-UHFFFAOYSA-N 410.434 0.792 30 20 HCED CS(=O)(=O)Nc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 591335998 VXOCNIZSMZKQBB-UHFFFAOYSA-N 422.488 0.524 30 20 HCED N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)nc1 608981349 HMWCRNJFXBTXTP-UHFFFAOYSA-N 410.463 0.876 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 609185627 AXXVBSKPAMRHDJ-ZDUSSCGKSA-N 416.459 0.989 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2=O)cn1 609815910 FGCDVDJNBHXWHV-HKUYNNGSSA-N 407.478 0.945 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN([C@@H]3CCOC3)CC2)CC1 611431481 RTTPSWWNEGAVKC-NHCUHLMSSA-N 415.513 0.941 30 20 HCED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@@](F)(C#N)C1 615608401 RHFBCXYLZQUYNI-KBXCAEBGSA-N 411.455 0.692 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N(C)C)CC2)c(OC)c1 642102360 OSJVGQVFARFWID-KRWDZBQOSA-N 413.540 0.587 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)C1=O 726042595 KYCVHPFUHBKBEG-KBPBESRZSA-N 401.419 0.815 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)C1=O 726043626 OWRGXQLHGXAIMO-SNVBAGLBSA-N 415.358 0.109 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)n1 727005436 CSLVSIBIHVQCHA-LLVKDONJSA-N 411.465 0.191 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 728533300 GBUSQVCXBVYAKR-LJQANCHMSA-N 410.518 0.858 30 20 HCED C#Cc1ccc(C(=O)O[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1 729012588 QQXNYAMYNBNADK-CYBMUJFWSA-N 401.444 0.615 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738854587 HRKOQDYSDRBQJQ-NSHDSACASA-N 401.423 0.106 30 20 HCED COC(=O)c1ccc(NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741340457 FDXNWHUDHPVFEZ-ISLYRVAYSA-N 401.375 0.871 30 20 HCED CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743729053 WAFMIXJLHCMVMZ-UHFFFAOYSA-N 403.508 0.190 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 746944514 XIUVTLNFRBQFEC-LBPRGKRZSA-N 413.415 0.430 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](CO)C2)c1 749693674 PLEHZARNLLRPLS-GJEKEPIOSA-N 408.480 0.279 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1OC 755325253 FXENGMSYKUUKKU-RISCZKNCSA-N 407.452 0.485 30 20 HCED C#CC[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 757269017 IRPBLSXPSNIPSH-QGZVFWFLSA-N 409.446 0.561 30 20 HCED CN1C(=O)NC2(CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)C1=O 758779365 UVHULBAHRNCMDF-OLZOCXBDSA-N 420.470 0.471 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CC=C)Cc2cccs2)CC1 761030021 DDCBTQRRGRWKRN-INIZCTEOSA-N 410.565 0.736 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)C(C)(C)C 765532557 BVRKJBJTMZWKNG-LBPRGKRZSA-N 401.510 0.555 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cccc(OCC(N)=O)c1 766324341 DTRNZCRECMKSLF-CYBMUJFWSA-N 417.443 0.833 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)COc3ccc(S(N)(=O)=O)cc3)nc12 783337630 TUPQVBMGJYTTOF-UHFFFAOYSA-N 403.376 0.076 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(-c2noc(C)n2)c1)[C@H]1CCS(=O)(=O)C1 783482660 ZDBPOIZXCNHXDJ-HNNXBMFYSA-N 402.432 0.632 30 20 HCED COC(=O)c1cncc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 788665305 QJZDVOWIGXNDKQ-OCCSQVGLSA-N 410.452 0.906 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C#N)o2)c1=O 794580386 CTHRKUDHUIKQBV-ZDUSSCGKSA-N 413.455 0.520 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@](CO)(c2ccccc2)C1)c1cc[nH]n1 794732633 XRRGNCILMXDIRK-FQEVSTJZSA-N 400.435 0.856 30 20 HCED C[C@@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 798799546 MYJLUXHIMAUPLD-TZMCWYRMSA-N 402.432 0.593 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)C(C)C 799272680 KGAHRECVDRXGNX-INIZCTEOSA-N 400.479 0.795 30 20 HCED COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 807281623 YFBRXCJZGNXYJG-MRXNPFEDSA-N 404.448 0.932 30 20 HCED CON(C)C(=O)C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 813027470 XREKGHROEYXVKP-UHFFFAOYSA-N 411.422 0.336 30 20 HCED CNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 813726322 VBXUVIGTRRRWHT-HIFRSBDPSA-N 408.480 0.962 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 815912618 RZYCGRUWGMRADP-BBWFWOEESA-N 422.441 0.987 30 20 HCED CCN1CCN(CC(=O)[C@@H](C#N)C(=O)Nc2ccc(OC)c(OC)c2)C(=O)C1=O 916935497 QWHMJUCALZQMLK-CYBMUJFWSA-N 402.407 0.042 30 20 HCED C=CCN(C(=O)Cc1c(C)[nH]c(-c2ccncc2)nc1=O)[C@H]1CCS(=O)(=O)C1 1115890916 OWGGVXXRFIIGKE-HNNXBMFYSA-N 402.476 0.885 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)NCC3CCC3)CC2=O)cc1 1251740672 BLBKADIZRSMVKF-MRXNPFEDSA-N 404.492 0.747 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1288526196 SPEKLLQMPBLYRZ-STQMWFEESA-N 404.500 0.505 30 20 HCED COc1nc(C)c(Br)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1301213707 SCENXSXLJXAUMQ-UHFFFAOYSA-N 408.212 0.725 30 20 HCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1=O 1309772344 MRJHZBZAWXZJOO-INIZCTEOSA-N 412.487 0.296 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCOC2=O)cc1 1316532016 YSYYIBBQYZLSCV-MRXNPFEDSA-N 409.450 0.971 30 20 HCED CNS(=O)(=O)c1ccc(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 1320446141 AUGMFMNNXBMURF-UHFFFAOYSA-N 401.444 0.868 30 20 HCED CN(C)S(=O)(=O)c1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1323383338 SGDSUGMDGDIZOG-ISLYRVAYSA-N 406.464 0.470 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1505322194 KIUHJWDDBROXIN-LSDHHAIUSA-N 402.480 0.894 30 20 HCED N#Cc1cc(Br)ccc1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1540846802 IHEBCPOGXTVDQS-SNVBAGLBSA-N 401.286 0.966 30 20 HCED CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1541013550 JOTMYJNIXHPCBV-SJORKVTESA-N 409.450 0.965 30 20 HCED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@](O)(CC#N)C1 1570695475 RZSCKVPWYOWYKL-BEFAXECRSA-N 423.491 0.105 30 20 HCED N#Cc1cn(CC(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)c(=O)nc1O 1629246214 YAAJFRRXEASMAB-HNNXBMFYSA-N 403.439 0.870 30 20 HCED N#Cc1cn(CCC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c(=O)nc1O 1636082842 JOPYQTSEFNWISD-UHFFFAOYSA-N 405.361 0.964 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648940015 JNPOCMBBPZFNFD-CYBMUJFWSA-N 420.470 0.446 30 20 HCED CNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 1654606594 ZOQUFFOYGMRPMJ-AWEZNQCLSA-N 411.553 0.959 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)NCC(C)C)C1 1778111793 FKRALRFQVPSVCK-CSODHUTKSA-N 407.511 0.311 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1779021434 GUVRZABRBMZBEU-IFRHDIGASA-N 405.543 0.774 30 20 HCED Cc1nnsc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063062 OCRGNCUUTPNWGL-FQEVSTJZSA-N 418.519 0.989 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1)C(F)(F)F 1779225600 RMJMHCXSCWLLRE-LRDDRELGSA-N 401.389 0.863 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1779281574 WCLACDRLDQYNEY-YWZLYKJASA-N 407.467 0.016 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1779381802 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1783443010 HUVKROCTSAEALE-LNLFQRSKSA-N 423.473 0.346 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(O)C(F)(F)F)[C@H]2C1 1784874989 VDZVURIVSQURPI-BNIMDDLWSA-N 422.444 0.853 30 20 HCED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1789881366 MJRBORQKKAWKTL-UJNZZBMASA-N 416.453 0.354 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnn3)C[C@@H]21 1789891642 LGFAYRNAFDKMGU-QZWWFDLISA-N 419.482 0.328 30 20 HCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cccn2)C3)cc1 1792423386 JFJQICQVMAAFMX-HATOLVCRSA-N 407.474 0.977 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 1792811058 DSMHWCNGRVYRBO-BKFWEMOKSA-N 400.406 0.607 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)C(C)(C)C 1793191640 VBAIYUOZUNJMIK-LHKMKVQPSA-N 409.527 0.718 30 20 HCED COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793263066 DTUDYNNMKHNIOJ-IHEQNBGGSA-N 400.475 0.745 30 20 HCED Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)[nH]1 1793538294 UIMXYMQXPYDZRJ-LPUCPTHISA-N 405.455 0.450 30 20 HCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1793601808 NOYWYCVBUDVBJX-BIYBGRMPSA-N 424.498 0.418 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793803542 XXSVUYNVWRAJBC-PDOICOKGSA-N 405.495 0.017 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn(C(C)(C)C)n1 1794416734 GSTRUSAAQXGLPZ-XLMAVXFVSA-N 402.495 0.880 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c(C2CC2)c1F 1794479055 OLKAVXHSUDQVTR-OEYIWLLWSA-N 404.442 0.668 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(-c4ccccn4)[nH]n2)C3)CC1 1795410986 DVQKRFPRIZIVMP-ZSBFGKGUSA-N 406.446 0.979 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(C(C)C)n1)C2 1797711529 XMUSIXIRNBGNDO-QKPAOTATSA-N 405.499 0.635 30 20 HCED 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CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)[C@@H]1c1cccnc1 1811533101 GSMUBMQQBOLAMK-APWZRJJASA-N 423.477 0.872 30 20 HCED COc1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n(C)n1 1812874318 ITWQNNAPJQPVLC-KUHUBIRLSA-N 411.418 0.231 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)[C@H]1c1cccnc1 1812879701 CWDPLSMHSBOUAM-YWZLYKJASA-N 423.429 0.468 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)S)[C@H]1c1cccnc1 1813039388 DCRUGBCATCQHBE-XKVFNRALSA-N 410.496 0.470 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCn2ccnn2)[C@@H]1c1cccnc1 1813426959 GUDWIAFFNLTDQA-KPFFTGBYSA-N 410.478 0.808 30 20 HCED C=CCC(F)(F)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815068841 SGFSZOOGYVEPIT-UWVGGRQHSA-N 415.466 0.859 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCC(=O)N2CCCC2)[nH]n1 1822197160 KMXLPJPOMLKZQA-HNNXBMFYSA-N 415.450 0.892 30 20 HCED C#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCN(C(C)=O)CC2)[nH]n1 1823420526 YTFPBFSMBSISNZ-SFHVURJKSA-N 414.510 0.979 30 20 HCED NC(=O)NCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1823541170 XTMJYCRSJJLVOF-UMXKZIAQSA-N 401.427 0.782 30 20 HCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(C)(C)C 1831087426 PTLYLVAYXTYNDO-IIBYNOLFSA-N 420.510 0.297 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831159881 BURQIRMGXJFJOD-DOTOQJQBSA-N 421.494 0.187 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(OC)CCC3)C2)C1 1831402818 SHTKBJUXPMWHPG-DYESRHJHSA-N 408.495 0.440 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831418713 GREPKEMCZXQORN-OXQOHEQNSA-N 404.467 0.067 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831608956 LJVRTSZQCZUZOS-IERDGZPVSA-N 409.527 0.947 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO3)C1 1832148625 AOTLDMQKQZHQJI-IRXDYDNUSA-N 406.401 0.722 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1832454687 YGVQVRNLDOXJMS-LJQANCHMSA-N 422.507 0.602 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1832462163 CJEHGTGNZASZKF-FQEVSTJZSA-N 421.519 0.583 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1832462937 GRHLCZKCDJPEBA-HXUWFJFHSA-N 411.568 0.848 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(=O)cco4)CCO3)C2)CCC1 1834608629 SXPUVTQUJRJWNZ-FQEVSTJZSA-N 401.419 0.404 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)c4ccccc4)CCO3)C2)c1 1834706488 LOCOLEWCTWZLSV-JOCHJYFZSA-N 422.441 0.839 30 20 HCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834965967 BKGQHCXCASDOCM-OAQYLSRUSA-N 401.463 0.594 30 20 HCED CCn1nc(C)cc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834985141 DVFOEHMQDRFSOY-UHFFFAOYSA-N 415.494 0.485 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnc5c4OCO5)C3)C2)CC1 1835345513 NYVOWZZDXWZKJN-HXUWFJFHSA-N 414.418 0.184 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835994189 UUCGORSRWXUGJW-QUCCMNQESA-N 423.535 0.259 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055907 ZSRQGHQOBPCSRJ-JXFKEZNVSA-N 406.483 0.010 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccco1)CCO2 1836130226 LGTKIRASSOZOLM-OAQYLSRUSA-N 417.462 0.269 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837902202 LWCXIESOVNKRFG-YWZLYKJASA-N 407.442 0.882 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1838089201 VASLRTUCCWJUGT-NRFANRHFSA-N 418.494 0.838 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3conc3C)C2)C1 1839223734 GZFHGLPFXMTAEY-BEFAXECRSA-N 408.455 0.854 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839272680 CKXLGFSGMQVTIG-SFHVURJKSA-N 404.379 0.284 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)CCSC)C2)C1 1839890472 CCDFZLFVMNYCGI-WMLDXEAASA-N 422.494 0.768 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1840159620 IVNURCLYXUKJKA-BFUOFWGJSA-N 404.492 0.951 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CC[C@H]4CCOC4)CCO3)C2)c1 1840589226 CBODGFLFTCUEJH-KKSFZXQISA-N 416.478 0.773 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1841608707 KCDNLGKIGSTCGZ-GJZGRUSLSA-N 411.499 0.667 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1841747696 GXBQZEBOSBEQDP-OAHLLOKOSA-N 411.499 0.668 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389860 LTKLNXZDVSIDMU-UHFFFAOYSA-N 401.423 0.834 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)c2nnn3c2CN(C(=O)OC(C)(C)C)CC3)C1 1843992684 NVMZTVVTZBRWJT-UHFFFAOYSA-N 414.466 0.479 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)N1CCN(C)CC1 1845098922 PANQJTDWNXPLAF-LUJYGJGBSA-N 404.559 0.297 30 20 HCED O=C1C=CC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1 1847474757 YEZBOQCRGUOOAU-IRXDYDNUSA-N 411.845 0.818 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1 1847783325 DHDJCCKGZYLOOA-JQFCIGGWSA-N 404.492 0.701 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C(C)=O)CC1 1847808272 HZSXXWGEMWSYMD-OALUTQOASA-N 406.527 0.335 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1847816548 WIHOCSZMCJMABL-NBMRYCAZSA-N 403.483 0.250 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1847942266 QYWYBQQPPLWJHB-RDBSUJKOSA-N 409.487 0.326 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1 51892575 QKSQIHYMBZOFOB-INIZCTEOSA-N 400.435 0.152 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)Nc2c(F)cccc2F)C1=O 61348471 DRKQZRDRMANQSG-UHFFFAOYSA-N 408.361 0.729 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCS(=O)(=O)N2CCSCC2)CC1 304762023 VDDJYOZJGDEGBJ-UHFFFAOYSA-N 421.589 0.232 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCC/N=C1/NC[C@H]2CN(C(=O)OC(C)(C)C)CCN12 305041533 VUGULPKFIFNDED-IRXDYDNUSA-N 422.574 0.810 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CCO1 409542284 GGLRZEUNPBWVSC-QZTJIDSGSA-N 404.492 0.505 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 426953242 GRFPWPRMRIMRNW-YOEHRIQHSA-N 424.461 1.212 30 20 HCED COCCN(C(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@@H]1CCS(=O)(=O)C1 428782286 KVWZCGSECPMWFQ-SJORKVTESA-N 422.507 0.068 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)n2)c(F)c1 439208465 XJVGEUGQODRWOQ-GDBMZVCRSA-N 410.409 1.091 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN2CCOCC2)C1=O 440274723 RDBIVJJCXGXYJL-SFHVURJKSA-N 400.479 0.703 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cnc(N(C)C)n1C 440311691 CCUKPSVFAAXZCS-UHFFFAOYSA-N 400.439 0.638 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 442292185 LQVLSNNPTCGHEZ-UHFFFAOYSA-N 408.524 0.950 30 20 HCED C[C@@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](C)CO 443810252 APEKWVRXJUASDD-VXGBXAGGSA-N 405.842 0.926 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 445848693 ILYWKBMHMMNJQT-OAHLLOKOSA-N 418.523 0.549 30 20 HCED CN(CC(=O)NCc1nnc(C2CCC2)n1C)S(=O)(=O)c1ccc(C#N)cc1 461503851 WBCLZZMALBDLAL-UHFFFAOYSA-N 402.480 0.891 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCS(=O)(=O)NCC1CCC1 462104456 QTEYNGXFZVEGGX-UHFFFAOYSA-N 417.495 1.288 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)C1=O 465111339 IYCGTTDIDIURBE-MRXNPFEDSA-N 412.446 0.313 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 470177126 PTXJEVDIYQXKAX-JSGCOSHPSA-N 414.422 0.671 30 20 HCED Cc1cc(NC(=O)CSCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)no1 471707268 UOWQLYLCSCEDKG-UHFFFAOYSA-N 417.495 0.917 30 20 HCED Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC(O)(CC#N)C2)c1C 476823338 PLVHRONFWBZZTL-IRXDYDNUSA-N 421.519 0.531 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 477266622 FNVZQMFWJYJGQB-DYESRHJHSA-N 407.559 0.060 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cnn(C)c2)CC1 482513510 QVIRSGKCMJARPC-CQSZACIVSA-N 402.480 0.307 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 486081264 YIJKXFPWUKERSV-UHFFFAOYSA-N 421.504 0.372 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3nc(SCCO)n[nH]3)C2=O)cc1 490582813 HXGFJUPNEITPFY-LBPRGKRZSA-N 415.435 0.604 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1=O 498114276 MNXZQVJXEBHUAR-UHFFFAOYSA-N 408.422 0.441 30 20 HCED C=C(C)COCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 499431329 NBEHHQZZHAUKLF-CVEARBPZSA-N 401.463 0.731 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(C(N)=O)c3)C2=O)cc1 505263406 CWSHQRMLFHPSOB-KRWDZBQOSA-N 405.414 0.907 30 20 HCED C=CCNC(=O)c1ccccc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O 514497629 HKIMHMUJYVYLMQ-UHFFFAOYSA-N 413.478 0.996 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 516501390 ILTHHJKMBYKJDS-INIZCTEOSA-N 401.442 0.471 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C)cc2)C1 518445029 ZHBGEIJTKUSBLR-CQSZACIVSA-N 400.526 0.684 30 20 HCED Cc1ccc(C(=O)N2CCC[C@H](c3nncn3C)C2)cc1S(=O)(=O)NCC#N 518693715 ZQIWOSBYPDVCOM-HNNXBMFYSA-N 402.480 0.945 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 523607522 GGHUKOHNJYYYPM-AEFFLSMTSA-N 420.535 0.890 30 20 HCED COc1cc(NC(=O)CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)cc(OC)c1 527439020 TUQBCMRPZGGNLK-UHFFFAOYSA-N 414.422 0.816 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@]12CCCO2 544757174 KKYNQSLSRLRJQX-LZJOCLMNSA-N 424.461 0.979 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)nc1 551210627 HKLYKMKIMHLGLX-UHFFFAOYSA-N 409.374 0.265 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)CC2)n1 551279687 ICKYIOQVPONZDU-CQSZACIVSA-N 424.427 0.602 30 20 HCED Cc1nn(C)cc1[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551608836 ZGEWYLUAOGUAKJ-ACJLOTCBSA-N 408.462 0.695 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1ccsc1)N(C)C 559749510 USIQCBISVRTKLZ-HNNXBMFYSA-N 403.512 0.735 30 20 HCED Cn1c(NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)c(C#N)c(=O)n(C)c1=O 561318419 HQYOCYCKRUFFJL-NRFANRHFSA-N 422.445 0.793 30 20 HCED CCN(CC)CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 562068219 MGBUZSATVDACMT-UHFFFAOYSA-N 414.553 0.536 30 20 HCED COc1cc(C)c(CN2CCN(C(=O)Cn3cncc(C#N)c3=O)CC2)cc1OC 563655834 JSZDUNPHQHXMIF-UHFFFAOYSA-N 411.462 0.785 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 565927963 AWVDTKSPOUOOBO-UHFFFAOYSA-N 410.463 0.655 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1=O 575203006 JSFNDUUNMMZMBN-INIZCTEOSA-N 420.491 0.311 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 582576576 VIMURQLGIKBHFJ-AWEZNQCLSA-N 411.459 0.413 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN3CCCC[C@H]23)CC1 585739554 RVPHCHQOVCSWNX-NVXWUHKLSA-N 412.494 0.815 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 588124792 KKOGRAATJXJGCO-HXUWFJFHSA-N 413.522 0.150 30 20 HCED COC1(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCOCC1 588646966 DNURALGOBUJJKH-UHFFFAOYSA-N 414.506 0.904 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CCC(=O)NC)nnc12 590004268 DMAYFIXJLWPDNL-UHFFFAOYSA-N 414.491 0.917 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)[C@H](C#N)C(=O)NC3CCCC3)cnc21 727233887 VEMSHCBIBQVJAT-JTQLQIEISA-N 421.255 0.660 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C2CCC2)C1=O 730462597 OOBYLQDHHFMGEC-UXPDKRSESA-N 410.521 0.823 30 20 HCED CCOCCCN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 734401785 GAHDWJCGCGBPRP-WBVHZDCISA-N 422.551 0.978 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)N(C)CCC#N 745433399 RQLDYAGUBTZPFL-ZDUSSCGKSA-N 409.464 0.466 30 20 HCED C#CCN1CCN(C(=O)CNc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)CC1 754315949 UNKJXRVGZHYEFG-MRXNPFEDSA-N 400.479 0.557 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3OC)no2)CC1 761031121 OEDMZBXYPBEFNJ-UHFFFAOYSA-N 421.479 0.339 30 20 HCED C#CC[C@@]1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 764472434 LCGQBZRCLDTJJS-KRWDZBQOSA-N 400.501 0.127 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C 767678210 XAJWZFJCHYBWNS-RYUDHWBXSA-N 424.479 0.781 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 767747349 MSXACHRWIAEADA-CQSZACIVSA-N 409.512 0.580 30 20 HCED C[C@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 768781179 NYIKTTYYFILBLM-QGZVFWFLSA-N 407.540 0.587 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c([N+](=O)[O-])c1 771896750 ICGFIZGIHJCJIV-UHFFFAOYSA-N 415.815 0.348 30 20 HCED CC(C)(C)NC(=O)CNC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1 772899308 UXBAESHPKIKYIS-UHFFFAOYSA-N 405.499 0.316 30 20 HCED C#C[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCCO1 773052193 QBPFUNPVTBZINH-HOTGVXAUSA-N 404.485 0.546 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 773948810 QVAPVKMZWJEQPN-HNNXBMFYSA-N 406.508 0.431 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@@H]1O 774406857 VUIBDNMWXVWMNW-IGOFQXMBSA-N 408.480 0.277 30 20 HCED C#C[C@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775327593 KDBUSXMEFANLPS-DLBZAZTESA-N 422.503 0.556 30 20 HCED COC(=O)C[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1 776942152 KJMHLBKTLMZPJZ-IBGZPJMESA-N 416.459 0.715 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1 783167275 XJTYVDZPUJYNPI-HNNXBMFYSA-N 400.570 0.937 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1CN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 783479625 FNHMKMRIXSODQS-QGZVFWFLSA-N 419.503 0.106 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)[nH]3)C2=O)cc1 786093274 UUDHEDLXQDKSHI-IBGZPJMESA-N 411.374 0.550 30 20 HCED COC(=O)c1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cn1C 790149463 BAEJQHJAFHFFCL-UHFFFAOYSA-N 420.495 0.589 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)CC1 791980169 SKDFXEXCCNXBAU-MRXNPFEDSA-N 407.496 0.042 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NS(=O)(=O)NC)cc2)cc1 798143589 AFLPNHAXCMMXML-UHFFFAOYSA-N 422.488 0.727 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 798203260 WBBQMKNAKOCUSA-UHFFFAOYSA-N 423.310 0.782 30 20 HCED C=CCN1CC[C@@H](OC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 798580233 MFTQWKFLQSICKH-CYBMUJFWSA-N 417.827 0.857 30 20 HCED C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 800056539 XDNBKTPBCMWTTH-IHRRRGAJSA-N 418.516 0.806 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 804081639 ODWCTBPNRABVSD-UHFFFAOYSA-N 424.299 0.261 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2OC(F)(F)F)CC1 804986928 TZELMXUKFKIFKB-UHFFFAOYSA-N 423.388 0.780 30 20 HCED Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 807099753 AJNARQDEGCIYND-UHFFFAOYSA-N 423.521 0.940 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)c1 813984265 ODJFDVYJUPEZOW-QGZVFWFLSA-N 404.423 0.971 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 815339343 JGBGFFRXGIEFNG-UHFFFAOYSA-N 402.432 0.425 30 20 HCED CNC(=O)NC(=O)COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 822355594 ZWEWWSIIMMPAGU-UHFFFAOYSA-N 410.452 0.284 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 916871228 SPQWIAFJWKEHOG-HNNXBMFYSA-N 423.491 0.955 30 20 HCED C=CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 919989457 KWEOFSCFVQFGMJ-CYBMUJFWSA-N 411.505 0.317 30 20 HCED C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 996513861 KVKHLLWBYNMZHO-BBIYFSQSSA-N 401.467 0.377 30 20 HCED CS(=O)(=O)CC1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1141383400 NRYZPOGTEAQAFN-UHFFFAOYSA-N 413.521 0.556 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCc3ccc(C#N)cc32)c1 1296001067 YMBNOJOSZUEMAK-UHFFFAOYSA-N 419.484 0.829 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1324311243 FBSJYDOKEPYLDK-UHFFFAOYSA-N 413.521 0.918 30 20 HCED Cc1ncc2n1CC[C@H](C(=O)NCC#CCNC(=O)[C@@H]1CCn3c(cnc3C)C1)C2 1324617924 ABVSKINYXSEGGS-HDICACEKSA-N 408.506 0.757 30 20 HCED CC(C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1340087023 FVKOSCGUORREMT-CQSZACIVSA-N 406.464 0.703 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1510831874 YRZDMQRAHBLKDO-GUYCJALGSA-N 407.452 0.125 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@]3(O)CCOC3)CC2)c1C#N 1511665029 LDXNNDXCLZDUNF-HXUWFJFHSA-N 414.514 0.793 30 20 HCED CS(=O)(=O)NCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519606843 PWVNLKCAFGXCIZ-KRWDZBQOSA-N 415.523 0.671 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CC1=O 1555584365 FDXSUBAPZXRBBV-UHFFFAOYSA-N 420.477 0.894 30 20 HCED Cc1ncc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1612435239 ZQCGNFBFYXDMKX-PWSUYJOCSA-N 411.513 0.430 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1706826633 WTOIMGGAAOOHGM-IEBWSBKVSA-N 411.510 0.961 30 20 HCED COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1)OC 1730459116 GJKFCWORWJCIPI-KBPBESRZSA-N 414.532 0.680 30 20 HCED C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1740745409 UDZDXRSKRUNURM-NEPJUHHUSA-N 400.277 0.642 30 20 HCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1750203541 KINIAJSFHPDTLF-HNNXBMFYSA-N 402.480 0.563 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1768981126 BPERRMXSLFYZLK-GOSISDBHSA-N 405.480 0.449 30 20 HCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)ccc21 1777865197 WQKFFEDRXMJDPV-QHCPKHFHSA-N 422.485 0.734 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)Cc3ccccc3)CCO2)C1 1778974406 QBALKEZXYMLXOJ-SFYKDHMMSA-N 416.518 0.993 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779524714 ARHRRNXUJWJIKS-MGPUTAFESA-N 418.450 0.191 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1780951284 DPPKRHPCBYFMMM-NRFANRHFSA-N 419.445 0.615 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1781269800 OKCJFVLKHAVMBO-HXUWFJFHSA-N 403.435 0.740 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)ccc1F 1781297710 WFUWEJXNYPUJFX-LJQANCHMSA-N 419.482 0.696 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2cncn2)CCO3)ccc1F 1781298620 LXCNCJNGYLHDEI-FQEVSTJZSA-N 412.425 0.361 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)COCCO)C2)C1 1781317017 FRCVTAYBDZJSIY-FQEVSTJZSA-N 410.587 0.876 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c(Cl)c1 1781973509 ZGKPTGSMDZKGLM-JLTOFOAXSA-N 416.865 0.791 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cnc[nH]5)CCO4)C3)c2c1 1782195189 VYMNRCXXEWPLDE-FQEVSTJZSA-N 405.418 0.915 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2)C(F)(F)F 1783201990 AUWXPQHFWZHEGX-YJBOKZPZSA-N 412.412 0.900 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1783531447 QQRWRQDTMWDQSK-KBJFVVOBSA-N 411.462 0.338 30 20 HCED COc1ccccc1CCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557460 HNRFUUWYUUNWST-OAQYLSRUSA-N 400.431 0.546 30 20 HCED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1783667236 RKZFPHOTTUEHDL-YJBOKZPZSA-N 404.529 0.204 30 20 HCED COCCn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]3C2)n1 1783681682 HBNMGLWJGNPTLR-ZOBUZTSGSA-N 403.483 0.673 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CC)NC(N)=O)C[C@@H]21 1784492456 RBGRMPPRKQTKLL-QAETUUGQSA-N 410.515 0.396 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784631350 UABHBGASXGZRRV-IERDGZPVSA-N 416.526 0.864 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1 1785629120 NOPFZUSSPRZIMZ-IBGZPJMESA-N 408.575 0.536 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)C1CCOCC1 1786612782 WEMYSLJHZJLULZ-IWDKLMIJSA-N 406.527 0.864 30 20 HCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccnnc4O)C[C@@H]32)cc1 1789573063 JLDLDBPZLZNBIJ-SZMVWBNQSA-N 407.430 0.961 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccc(O)cc1 1789889523 ZYYSNQUFLXXYFA-IKICRFKJSA-N 400.431 0.563 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C[C@@H]21 1790793384 BOBKEJWASXXVST-QAETUUGQSA-N 417.506 0.856 30 20 HCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N)C(=O)OC(C)(C)C 1792629965 DAVNPFPLVHSHGG-MIFYACCESA-N 408.499 0.993 30 20 HCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1CC1 1793262648 FPIFGGAZLVHASV-KBMWQNTOSA-N 409.486 0.808 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ccncc1)C2 1793340840 PDXRWVQEDVKGNE-GGXPGOJBSA-N 403.504 0.802 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc3ncnn3c1)C2 1793359376 WMLAFHKYLSDEHM-REGYPHIPSA-N 413.478 0.453 30 20 HCED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2 1793376444 URBHAUJKILGQFU-REPLKXPHSA-N 412.490 0.985 30 20 HCED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1793605576 NVFJBMKCQNUJSH-JYYAWHABSA-N 417.597 0.309 30 20 HCED Cc1cc(C(N)=O)cc(C)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)S)C2 1797736986 VNWGWSIWUDJTBO-FAYQHZLMSA-N 405.520 0.924 30 20 HCED 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CCOC(=O)O[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812368002 QNGSPDODJMRVTO-XUWXXGDYSA-N 417.418 0.737 30 20 HCED CC1CCN(CC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1812873243 LGSGUBIAERYDJK-GCJKJVERSA-N 412.490 0.907 30 20 HCED COc1cccc(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812873864 HIENNHRBVXGBLN-AOMKIAJQSA-N 422.441 0.822 30 20 HCED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1815211514 KXHCUZCMFUHWGQ-IPYPFGDCSA-N 406.487 0.586 30 20 HCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)N3CCOCC3)[nH]n2)CC1 1817110657 WGQIOMHIIYUTBZ-ZBFHGGJFSA-N 402.455 0.356 30 20 HCED NC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819782582 NPVRBZXYJJLIEI-KKBVUKDESA-N 407.500 0.195 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200574 JHCZOHRSUBEQLP-OCCSQVGLSA-N 403.439 0.795 30 20 HCED C[C@@](O)(C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)C(F)(F)F 1825661100 IGQARYZQWMDZOT-JKYUHCHBSA-N 405.354 0.456 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1826891265 CYUQYWANQOESGX-IRXDYDNUSA-N 419.526 0.996 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)C1 1829668969 LUNVPUPWELUKQL-NRFANRHFSA-N 411.462 0.994 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2)C(F)(F)F 1829861511 MAMSWAYGVSTFIB-RHSMWYFYSA-N 421.416 0.476 30 20 HCED CN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CC1 1829892146 RJHNKXYNGCVMGG-OAQYLSRUSA-N 415.494 0.298 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1831393774 PRYCHAFSMUDGOM-DYESRHJHSA-N 403.479 0.442 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n[nH]1 1831486699 DUFZBFANCURCHM-LPHOPBHVSA-N 410.540 0.997 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1831896229 LSRAYMSMYIMLLL-MGPUTAFESA-N 405.426 0.329 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832150324 WQZGUJUEZWWOQL-JKSUJKDBSA-N 407.389 0.306 30 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N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccncc4)C3)C2)c1 1838739080 KSVHZDNHEUAAPH-NRFANRHFSA-N 409.446 0.594 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1)CCO2 1838848362 FTQSZLGTYKDWKD-FMFFHWJCSA-N 413.474 0.615 30 20 HCED CCOc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839020379 ZLPWKRRFNSZLFX-OAQYLSRUSA-N 416.430 0.243 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1839026188 KURDYPNBEYGKEG-OAQYLSRUSA-N 416.430 0.162 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1839222821 BQJIKBOLMKXAPO-SUMWQHHRSA-N 411.484 0.409 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839808175 UNHVRZNKDMBWEN-GOSISDBHSA-N 422.363 0.675 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839841245 NTKXXEYFNNXIBY-ZWCUEREDSA-N 416.522 0.620 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1839888299 FZUSWPGCEGKDPA-QGZVFWFLSA-N 414.409 0.407 30 20 HCED Cc1cnc(Cl)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840041307 DSOBDDDJUIDFBG-IBGZPJMESA-N 421.837 0.201 30 20 HCED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1841099775 WRBSTKMCHKRUGR-UHFFFAOYSA-N 417.429 0.349 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)C1 1841909620 JZEYRFAHAHJRST-MRXNPFEDSA-N 423.469 0.914 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)c(Cl)c1 1841961170 DNYMBIOYOMLDCL-CQSZACIVSA-N 415.837 0.627 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)CN3CCOCC3)C2)ccc1F 1842826033 WEPMPWARACGRNC-UHFFFAOYSA-N 400.454 0.775 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(C(=O)OC)nc2)C1 1843495202 AMJIQIBAAGAGBT-FPLPWBNLSA-N 412.446 0.544 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844624203 XLCFNJBQPMSBPQ-ZDUSSCGKSA-N 400.460 0.611 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847766701 IWNCDRZEWOJISA-ILXRZTDVSA-N 408.499 0.794 30 20 HCED C=CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 21747231 SIFDVYFDPKMHPW-UHFFFAOYSA-N 405.270 0.963 30 20 HCED CCN(Cc1ccccc1NC(=O)C(=O)NCCCc1n[nH]c(N)c1C#N)C(C)=O 48706088 MNFIYDOZCPZZPO-UHFFFAOYSA-N 411.466 0.919 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)C1=O 53270833 WANKBGKTOORPCF-UHFFFAOYSA-N 401.423 0.810 30 20 HCED C[C@@](C#N)(NC(=O)CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1CC1 55854456 SHHVUNGFRYSMTQ-SFHVURJKSA-N 405.480 0.027 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 410424754 UIZBIKMFZMUBBS-ZFWWWQNUSA-N 403.530 0.401 30 20 HCED C=C[C@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 426848726 QVRRLBOGGGEISI-LLVKDONJSA-N 410.386 0.707 30 20 HCED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 430508364 URMUDOQIZYSRSM-IBGZPJMESA-N 414.853 1.320 30 20 HCED CN(C1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1)S(C)(=O)=O 434916454 UVDVCVAAYPTOSF-UHFFFAOYSA-N 409.512 0.936 30 20 HCED Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1C#N 443484645 MMQRCNYPBFZCGF-KRWDZBQOSA-N 414.487 0.748 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 446794079 RWDGNPYAXMVLCI-NVXWUHKLSA-N 412.508 0.637 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 465264595 WUGNGSOHQLXMNO-NSHDSACASA-N 419.442 0.877 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 465347409 VUHJOQRUNYWDNL-ZIAGYGMSSA-N 423.491 0.890 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 471145033 LPJMVGRRQAVFRN-HXUWFJFHSA-N 412.538 0.101 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 477319029 YGSODHMJYQBVHU-AWEZNQCLSA-N 404.467 0.862 30 20 HCED N#C[C@@]1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOC1 478661000 ZLRZYKVYNJNXGK-IBGZPJMESA-N 420.491 0.099 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@@H]2C(N)=O)nnc1-c1ccccn1 488910660 DOCMHWPUFZLMNF-CYBMUJFWSA-N 415.479 0.804 30 20 HCED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 501426366 ILQINWRCNSZIMJ-LLVKDONJSA-N 400.254 0.905 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCOCC 505664305 SHOYINMGHNBDTR-UHFFFAOYSA-N 415.519 0.184 30 20 HCED C=CCN(CC(=O)NC1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(OC)cc1 506752034 RRAAJYNATBFGDA-UHFFFAOYSA-N 409.508 0.999 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nc4ccccc4s3)CC2)C1=O 508214191 DAXZOKNHQKKIDT-UHFFFAOYSA-N 413.459 0.922 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCOC4(CCCC4)C3)C2=O)cc1 516338056 HKNRPAXKDYIVLB-GOSISDBHSA-N 410.474 0.947 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 521106977 JVZWIBPPWZNFDN-GOSISDBHSA-N 407.478 0.395 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 532781223 UIVUVIZAJWMPNO-CYBMUJFWSA-N 419.488 0.770 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)n(CCC#N)n1 533316066 GVSWXDJFHBCEIA-CQSZACIVSA-N 404.496 0.610 30 20 HCED CC[C@@]1(C)COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534118047 LHYSMMHSQGCZJK-FQEVSTJZSA-N 420.535 0.892 30 20 HCED Cn1cc(C#N)c(=O)n(Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c1=O 534979925 GBBHPPDCDWEJPB-UHFFFAOYSA-N 402.457 0.994 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ncc(F)cn4)CC3)CC2)o1 545419536 ZDHKKNPDPZZJEO-UHFFFAOYSA-N 414.445 0.255 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 546205007 YWLZHQDDQOCTNQ-OAHLLOKOSA-N 415.450 0.584 30 20 HCED C=CCSCCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 552194495 FKYJGFMVAILGHL-ROUUACIJSA-N 416.547 0.737 30 20 HCED C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H](C)O1 552703134 KKBJKQWUEZPZBD-ZIAGYGMSSA-N 404.515 1.452 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 556389984 KATVGDVODLJRJO-UHFFFAOYSA-N 403.406 0.216 30 20 HCED Cc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)NCc1ccccc1 557724819 ZXZQTZDDBKAWPY-UHFFFAOYSA-N 400.460 0.843 30 20 HCED Cc1noc([C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C2CCOCC2)n1 558563061 JKQTZLYCBVODIJ-KRWDZBQOSA-N 419.463 0.812 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 564535919 HYVICXCKDUCAOV-ZWKOTPCHSA-N 419.503 0.569 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCOCC1 569113280 FJNVQXPMPZTASR-UHFFFAOYSA-N 401.511 0.287 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 574310613 IQXUKYWHUNMGON-UGKGYDQZSA-N 412.490 0.657 30 20 HCED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 575011757 LDMPYIQQIHXYFW-UXHICEINSA-N 413.522 0.450 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 580602844 OJIYFMHSKVSAQV-GOSISDBHSA-N 402.495 0.385 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)c1 589454263 RHOJCAZCAOIAKD-QGZVFWFLSA-N 404.492 0.886 30 20 HCED CCOC(=O)[C@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589492839 FJSWCKMCLSZHMZ-KRWDZBQOSA-N 416.459 0.522 30 20 HCED COC(=O)C[C@H](NC(C)=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 590420202 KQSUDONUUBBBQH-KRWDZBQOSA-N 412.450 0.443 30 20 HCED N#Cc1c(CCCNC(=O)CN2CCCS2(=O)=O)nn(-c2ccccc2)c1N 603869895 YFPMPZQTXIQKCY-UHFFFAOYSA-N 402.480 0.410 30 20 HCED CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 609200886 MHEOUQVOCGIVKI-SFHVURJKSA-N 417.477 0.890 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 610031995 SROTYTNTNAZONY-UHFFFAOYSA-N 421.461 0.472 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 611600524 OCMVPYPESWHKAI-UHFFFAOYSA-N 421.458 0.839 30 20 HCED N#C[C@]1(F)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 615528709 GMFRJFAKLHOIFC-GOSISDBHSA-N 410.471 0.996 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1 728532351 WERXRKOLTLBFDJ-HXUWFJFHSA-N 400.548 0.670 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CC1 732797162 NAMWYILYRRGUOG-UHFFFAOYSA-N 415.519 0.678 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 733148995 SWKBHWOGQNVGNZ-INIZCTEOSA-N 423.510 0.662 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)cc1 735810618 MPAMVMIGLRVEOW-UHFFFAOYSA-N 419.484 0.448 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)C3(C#N)CCC3)C2=O)cc1 736845979 RSXPZHKUIHYKPN-SFHVURJKSA-N 400.391 0.730 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C1 742184576 XSAJIFXUGSGTOU-OAHLLOKOSA-N 424.498 0.812 30 20 HCED Cc1c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748435778 RQFJHEIVKBTKJB-UHFFFAOYSA-N 407.386 0.608 30 20 HCED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CC1 749046691 KJMBLUYEQGNJMU-UHFFFAOYSA-N 423.491 0.701 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750367835 VCFOKDCPLCXZPD-AWEZNQCLSA-N 400.435 0.483 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCC 753359192 NYTIATUATUNASR-UHFFFAOYSA-N 416.503 0.854 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758078043 XGSXVYJYSGMPEE-UHFFFAOYSA-N 400.891 0.928 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758079889 UQCIWKNKYUNUFZ-UHFFFAOYSA-N 404.451 0.205 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CCC1 771080141 WCLKBSIAYROQTA-LJQANCHMSA-N 416.459 0.520 30 20 HCED Cn1cc(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(O)nc1=O 771191258 XNPLODBXWRJFNT-UHFFFAOYSA-N 416.419 0.207 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 771467955 RIAVUNYXEHTHDL-TZMCWYRMSA-N 403.464 0.525 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCO[C@@H]2C[C@H](N(C)C)CC[C@H]21)c1cc[nH]n1 772436714 VQBMKGTWPSBTAV-FVQBIDKESA-N 407.471 0.404 30 20 HCED CN(C)c1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc2n1 774083118 JPCPDEZAYFEEBQ-HNNXBMFYSA-N 400.460 0.880 30 20 HCED C#C[C@@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)[C@@H]1CCCO1 775759686 HHHCHGUXDBRYED-CVEARBPZSA-N 413.434 0.869 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778751629 DLAMPOVUPLMRJX-INIZCTEOSA-N 402.432 0.897 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C)c1C(=O)N1CCCC1 783347744 NOIXSVKOHJRRIJ-UHFFFAOYSA-N 407.492 0.887 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)Cn1cnc([N+](=O)[O-])n1 790869711 QQRZNYUFLJAWIY-UHFFFAOYSA-N 404.286 0.582 30 20 HCED Cn1cc(S(=O)(=O)NN=C2c3ccccc3CC23CCOCC3)c(=O)n(C)c1=O 794923586 PTIDVIQTIUVKAK-UHFFFAOYSA-N 418.475 0.120 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@H](S(C)(=O)=O)CC1)c1cc[nH]n1 800624121 JORKZWXABDCOQT-LBPRGKRZSA-N 400.457 0.119 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](CN2CCOCC2)C1 801174260 LSBDMTJTOLBFPB-MRXNPFEDSA-N 420.535 0.686 30 20 HCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccnn3CCCOC)c2=O)cn1 802722782 ITOKPGJIKRTMCX-UHFFFAOYSA-N 409.475 0.375 30 20 HCED CC(C)(C)OC(=O)NCC1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 805058410 QXXDCDLWRKQOHR-UHFFFAOYSA-N 407.515 0.854 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)nc1 807918088 GXLVQJHXDVMYSG-IBGZPJMESA-N 422.489 0.364 30 20 HCED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 811747284 ZWEDHXXXDPVJPK-UTKZUKDTSA-N 413.478 0.918 30 20 HCED CCCc1nnc(SCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1N 813536806 KWLDTQHQPFMQDC-OAHLLOKOSA-N 413.507 0.825 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C1CC1 834293379 GZAJEAVNIIKASZ-MRXNPFEDSA-N 414.871 0.755 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCCn3nc4n(c3=O)CCCC4)NC[C@@H]2C1 849086788 UDCQATDLIDYJRH-OAHLLOKOSA-N 419.530 0.652 30 20 HCED O=[N+]([O-])c1ccc(NN=C2CCS(=O)(=O)C2)c(S(=O)(=O)N2CCOCC2)c1 912779276 YUFABNOCVKFLCY-UHFFFAOYSA-N 418.453 0.202 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCNc1ncccc1C#N 913047338 WMYURXVKHUVNAO-UHFFFAOYSA-N 418.479 0.155 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919651090 ZKTQVCGSDRRINL-OCCSQVGLSA-N 422.459 0.858 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1116133289 DDTQCIUTAGHBRO-UHFFFAOYSA-N 404.452 0.696 30 20 HCED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC(=O)N2CCCC2)C1=O 1251614480 CYGQLFBKPWODGJ-GYKMOOBXSA-N 403.508 0.683 30 20 HCED N#C[C@H](C(=O)Cn1nc2n(c1=O)CCCCC2)C(=O)Nc1ccc2c(c1)OCCO2 1263374938 AEIUSVKVPATMLZ-CQSZACIVSA-N 411.418 0.890 30 20 HCED C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1303634109 NPVLVZWNVXEQNS-CQSZACIVSA-N 406.512 0.962 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1319053587 MKMJFNTVOPKNPG-VHEBQXMUSA-N 414.418 0.787 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 1321298378 GDUAIZHBSCLMOI-INIZCTEOSA-N 420.535 0.968 30 20 HCED N#CCCCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1322651193 YTFCSULDDVZLLA-UHFFFAOYSA-N 400.545 0.561 30 20 HCED Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cnn1C 1360954455 VISOZZJAFZHMBZ-KRWDZBQOSA-N 411.514 0.683 30 20 HCED N#Cc1cn(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c(=O)nc1O 1453841590 JDQARZXRMXBLMG-UHFFFAOYSA-N 401.467 0.802 30 20 HCED CCc1noc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1499269360 CFQOGWPMWGXLJM-ZIAGYGMSSA-N 420.495 0.816 30 20 HCED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CC1=O 1517417113 ZSQVUYPAHRUMTG-UHFFFAOYSA-N 423.477 0.377 30 20 HCED CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541242547 JVMYSSLMDVNQNR-MRXNPFEDSA-N 417.514 0.240 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1548319674 YSMLVTZKFIIJTQ-HNNXBMFYSA-N 403.512 0.884 30 20 HCED COC[C@]1(CO)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1653629102 STXPHQROMUNKKO-PZJWPPBQSA-N 404.486 0.865 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)c1 1690993847 RIUUXGBNIFJDHK-KGLIPLIRSA-N 408.532 0.850 30 20 HCED CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cn1 1696610671 NIOXKSTVORVSTA-INIZCTEOSA-N 410.482 0.639 30 20 HCED COCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cn1 1698071463 UWIUCYXYPUBLPJ-GOSISDBHSA-N 404.450 0.749 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1722543846 USOTZLWEDUMJPK-LBPRGKRZSA-N 420.923 0.919 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1729214369 NPBUCQUREXMSPS-CQSZACIVSA-N 407.500 0.674 30 20 HCED CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1741293336 MPSXDDXXWUQJGZ-QGZVFWFLSA-N 422.493 0.803 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3c(F)c(C)nn3C)CCO2)C1 1778967305 KHFRGSAUXZIVGE-VBKZILBWSA-N 408.474 0.884 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1778975091 KVVYSQAYDRZWJR-DYESRHJHSA-N 402.495 0.846 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1779020303 KCZVIIIICMBTAN-DZSVRRGNSA-N 418.498 0.344 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066661 BEKJNBGWNHSCKW-HTAPYJJXSA-N 417.506 0.136 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)C1 1779069378 QFZITLLMKMIMIW-YLJYHZDGSA-N 408.451 0.277 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134997 SFMJTRRDIHZUMD-AEWXRJQFSA-N 404.467 0.443 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780692039 IESOQAXJADNOCG-RHVSLNNASA-N 408.458 0.860 30 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414.462 0.292 30 20 HCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2)C(F)(F)F 1783211570 WNULMFFDLBFQSZ-IUODEOHRSA-N 410.414 0.512 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NCCC)[C@H]2C1 1784373942 HQGIVWIDGDBTPW-XSLAGTTESA-N 409.527 0.864 30 20 HCED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1785122772 CIUFWEJYXYKIFD-IBGZPJMESA-N 406.822 0.880 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785144343 XWLUHGJDZHJHJG-CAMMJAKZSA-N 401.463 0.478 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1785575149 YYRTYDIGRLLIKB-KKSFZXQISA-N 422.526 0.295 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 1786868858 HZCVFLXXUHUPOU-WAARBJQMSA-N 416.522 0.634 30 20 HCED C=C(Oc1ccccc1O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1787502859 WMUHPCSCUCYSLE-MPGHIAIKSA-N 414.414 0.352 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 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C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C(C)C)n3)C2)C1 1831425979 CTNMJWGNXRAXSC-OXJNMPFZSA-N 421.498 0.520 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1831437879 JNHPHERQGKXJGF-OPYAIIAOSA-N 420.510 0.800 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1831486316 BJXKTQNKPUSOJY-UYAOXDASSA-N 424.567 0.764 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831486492 YCMFUMDQWJFJPT-YLJYHZDGSA-N 423.535 0.410 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1831492311 JPVOBAVOURAGOO-QFBILLFUSA-N 412.508 0.796 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831596644 PQIBBPPRWVXOAJ-HRAATJIYSA-N 409.527 0.947 30 20 HCED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831614081 DSPHJUUQLJIYGD-VGOFRKELSA-N 415.490 0.840 30 20 HCED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831622781 GPJITSLMIZFXNC-OXQOHEQNSA-N 410.515 0.007 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cccn1)CCO2 1833203394 PYMBJWJTRWKPFE-RXVVDRJESA-N 402.495 0.779 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833278499 AWNATCRKWSNIQR-OAQYLSRUSA-N 401.463 0.584 30 20 HCED CN(C)c1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)o1 1833903952 OFAGDZOYQXGVMO-HXUWFJFHSA-N 417.466 0.504 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1836203544 JEXSMISKJHFGAT-FQEVSTJZSA-N 401.467 0.342 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)C1 1837524926 JMWURHSIYYNBGQ-RRPYSREYSA-N 421.494 0.938 30 20 HCED CCn1nccc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837542411 ZFZRUJNKCGQUQR-UHFFFAOYSA-N 402.451 0.603 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)/C=C/c3cnccn3)CC2)CC1 1838773922 FAZIROXZIIMPDJ-OWOJBTEDSA-N 412.446 0.576 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nn1C 1838950112 CPEIAIGXMGTEAR-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)OC(=O)NC(C)C)CCO2 1839074414 KYZJBQCQSLVJGZ-FQEVSTJZSA-N 411.499 0.932 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840020784 XBZFGDFTBMVGGH-IERDGZPVSA-N 401.463 0.328 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840160685 PBIOATCPSDMITJ-LIRRHRJNSA-N 404.492 0.723 30 20 HCED Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnn2c1 1840161342 LMYUJEOCDVWFDE-AUUYWEPGSA-N 419.507 0.426 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1840169187 OPQLEFKCYZVBIN-NRFANRHFSA-N 416.478 0.749 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1840173500 BETYDYIKRBKKCF-IBGZPJMESA-N 408.524 0.984 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1840293983 GHSQZUPTHDYVHH-HXUWFJFHSA-N 402.451 0.446 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cccc3)CCO2)C1 1840348910 RWEDENBOBKYASV-WAOWUJCRSA-N 403.479 0.544 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3nc(C)cc3C)C2)C1 1840844826 OAVBZYVPODXNAI-NRFANRHFSA-N 402.495 0.760 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])CCO2 1840887378 LZURJLFNCIEENA-LJQANCHMSA-N 420.397 0.646 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)[C@@H](O)C1 1841024551 GGPQETGPGDIKKM-CABCVRRESA-N 406.483 0.721 30 20 HCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=N)N)C1 1842884067 SDDCNDPDIQJDNS-AWEZNQCLSA-N 422.530 0.532 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2[nH]nnc2C)C1 1843162255 PZRWTAHYIBAABN-CQSZACIVSA-N 416.482 0.847 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1846383683 QRJSWOFQMCVNQJ-HXUWFJFHSA-N 415.446 0.756 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c1 1846825853 IAILVZAJOYYLRX-CQSZACIVSA-N 409.446 0.682 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1 1847306703 VWRHKWCUSHACED-WBAXXEDZSA-N 418.519 0.630 30 20 HCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nncn1C 46961900 CMKNXNSINLCAEC-CYBMUJFWSA-N 403.468 0.464 30 20 HCED COc1ccc(CN/C(N)=N/CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1OC 304760846 SYMKMDPOSFECDR-HNNXBMFYSA-N 414.528 0.597 30 20 HCED Cc1ccc(Br)cc1NC(=O)CNS(=O)(=O)N1CCO[C@H](C#N)C1 410111301 YSFMUMRSCJSDGO-GFCCVEGCSA-N 417.285 0.755 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)n1 426808941 BKWCLIYFDIFUHF-STQMWFEESA-N 414.447 0.113 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 430383256 GETZQQCXWZTIDZ-MSOLQXFVSA-N 406.527 0.096 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCS(=O)(=O)C1 433666235 YMZNRNYJJHCHTA-LBPRGKRZSA-N 419.438 0.715 30 20 HCED COC(=O)C[C@H]1CN(c2nc(N3CCO[C@H](CC(=O)OC)C3)ccc2C#N)CCO1 436393695 VBPPWHMIRGDZPH-CVEARBPZSA-N 418.450 0.490 30 20 HCED CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 437096766 YXHFFTYAQVUHAW-CABCVRRESA-N 410.434 1.234 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)cc1 438274101 VPLRUUNHMPPMGI-MRXNPFEDSA-N 418.450 0.705 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 439924660 UACZDSDRNAXPNL-UHFFFAOYSA-N 407.540 0.913 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2cccs2)n1 441038908 WGLHGVBUGZXUHF-ZDUSSCGKSA-N 400.464 1.209 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3ccnc3S(C)(=O)=O)CC2)cc1 444405551 RMWHDWGOTHUNFU-QGZVFWFLSA-N 417.491 0.704 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Nc1ccn(CCC#N)n1 444419222 YGVYOSWLJFNLDN-CYBMUJFWSA-N 420.495 1.495 30 20 HCED COc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc(OC)c1OC 446525909 CSRYEPRKXXCSHM-UHFFFAOYSA-N 420.466 0.725 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2[C@H](C)CC(C)C)CC1 446733668 GSDDWCMZAWMFNO-MRXNPFEDSA-N 404.515 0.875 30 20 HCED COc1c(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(C)nn1C 461787320 TWNFXLKQBOGUAB-UHFFFAOYSA-N 411.397 1.189 30 20 HCED N#C[C@@H]1CN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCN1Cc1ccccc1 463734384 HIKKABBZYQXEPJ-VLFNSIGCSA-N 422.485 0.775 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 465191352 JWUUICXDMOQVHD-AWEZNQCLSA-N 414.491 0.949 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CCOC)nnc12 467827902 GGCYMLAQBSBSCE-CYBMUJFWSA-N 417.491 0.836 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 472094096 DKUCXLOKCCHKOL-UHFFFAOYSA-N 417.495 0.279 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)n(C)c1=O 472285383 DVLFWRBJBNVNGT-NRFANRHFSA-N 406.446 0.391 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 489540991 XXYQOWYSCKXPLG-CYBMUJFWSA-N 417.495 0.288 30 20 HCED CN(CC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 497361607 ITMBSHYSVKKSCK-WBVHZDCISA-N 404.492 0.696 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(Cl)c1 503452368 YZAACPYSIQJTBL-CYBMUJFWSA-N 421.928 0.978 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 506618039 VWNNLNXHLNVZAU-CABCVRRESA-N 414.437 0.876 30 20 HCED Cc1cc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)nn1-c1cccc(C#N)c1 508780317 UIOWJHIVOVJWRH-HNNXBMFYSA-N 402.480 0.698 30 20 HCED CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)N(CCC#N)CCOC)s1 510710583 CFEZXIVPSJOWGF-NWDGAFQWSA-N 418.545 0.760 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CC1 514913341 AONBLKHKOKFPDK-ZDUSSCGKSA-N 413.499 0.907 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 515338464 INAKESNRVNLQBI-SFHVURJKSA-N 420.516 0.905 30 20 HCED COc1ccc(C(=O)N=c2cc[nH]cc2C#N)cc1S(=O)(=O)N1CCOCC1 518026763 DIHOGBJAWLGJBM-UHFFFAOYSA-N 402.432 0.657 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc2nc(O)nc(O)c2c1 520517379 LHYFIHZREZVHTN-UHFFFAOYSA-N 407.452 0.278 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1cnn(CC)c1 522384156 LGBGACVTJQJSMQ-UHFFFAOYSA-N 406.471 0.316 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1CCOCC 531852049 GEAPJSSPTONCCM-UHFFFAOYSA-N 401.488 0.907 30 20 HCED CCN(CC#N)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 532532743 IIWSMKWVAAIWLB-UHFFFAOYSA-N 414.466 0.404 30 20 HCED COC(=O)[C@]1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1 538391256 RGYSDMRYLHLVMA-PXNSSMCTSA-N 404.442 0.456 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1=O 541760936 SKFPIGATOHWPOD-CYBMUJFWSA-N 405.473 0.605 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOCC4(CCOCC4)C3)n2)cc1 542356042 JWLBATUECVCRBG-UHFFFAOYSA-N 424.461 0.792 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 544168169 BYKSWFXLRXUXFJ-UHFFFAOYSA-N 424.461 0.751 30 20 HCED C[C@@H]([C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N1CCOCC1 553618236 OGWMJHOTJGUAAO-MSOLQXFVSA-N 415.538 0.674 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC 559155525 WYVVKDASJFFSOL-UHFFFAOYSA-N 403.508 0.192 30 20 HCED CCOc1ccc(NC(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCC1 562081596 PWGSLLDLXNWHJW-UHFFFAOYSA-N 409.468 0.631 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCN2C(=O)c3ccccc3C2=O)n(CCC#N)n1 563929488 FNUOLBSWDZFOQS-UHFFFAOYSA-N 408.418 0.846 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 576265791 AAVBTJAVRXFEOK-RDJZCZTQSA-N 406.458 0.771 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 590272813 WPDFLEVQXVFTOO-QGZVFWFLSA-N 407.430 0.860 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccncc2)c1=O 603795361 MEJLMHYUDAZXLF-UHFFFAOYSA-N 400.504 0.759 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 606037186 VFIDDDBPAXTIJX-OAHLLOKOSA-N 423.495 0.473 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CC1 611372624 HQUHMFSUGYRYCZ-SFHVURJKSA-N 405.524 0.389 30 20 HCED CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403718 MLIZFACFVDMFKW-HMWBCQRISA-N 410.521 0.823 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)[C@@H](C#N)C(=O)NC3CCCC3)cnc21 727233891 VEMSHCBIBQVJAT-SNVBAGLBSA-N 421.255 0.660 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 728533215 XZIIQHSTWUAOEG-HXUWFJFHSA-N 410.518 0.741 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 729257186 WLAJNVWYIMDVAO-UHFFFAOYSA-N 409.490 0.449 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 729541115 UPKNPKCPHXBISF-ZDUSSCGKSA-N 422.507 0.990 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 729762757 IFQWTQGBEBOXKG-UHFFFAOYSA-N 422.912 0.980 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)CSc2nnnn2CC(F)(F)F)c1 730072407 VLCJAQUVKSDOMO-UHFFFAOYSA-N 406.371 0.704 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1nc(CN2CCOCC2)cs1 732233934 LRFJMJMXUSPHTN-CCEZHUSRSA-N 406.468 0.623 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(N)=O 732797479 PSSYBVZMOINSHA-LBPRGKRZSA-N 401.492 0.291 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)OCc2ccccc2)CC1 733148926 OUDVXHHMKWEUAM-KRWDZBQOSA-N 400.479 0.585 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 742559824 XLYUOBVYQUIVBF-UHFFFAOYSA-N 413.455 0.638 30 20 HCED Cc1nc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)no1 743931267 BJQCWRFVXPENIU-JCMHNJIXSA-N 420.451 0.446 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cn1 746406481 RHKYGUCSXFTKID-UHFFFAOYSA-N 415.498 0.186 30 20 HCED CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 749635683 HYISFTDOUADMCN-UHFFFAOYSA-N 416.463 0.882 30 20 HCED COC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C1CC1 750300709 JBWUPKOWWVHUDV-MXVUGKIDSA-N 422.507 0.979 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 750683435 DBKXEZLNSDRJIV-GFCCVEGCSA-N 410.390 0.651 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 753890386 PLPVJOPGHXRJBW-SOUVJXGZSA-N 407.492 0.951 30 20 HCED N#Cc1c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cccc1S(N)(=O)=O 754963714 DDGMFVNRYLGNCG-UHFFFAOYSA-N 406.489 0.717 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757587848 BTVFXMMYFWVSCP-FZMZJTMJSA-N 424.479 0.831 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758076522 IHQAOYDWMFPHEY-UHFFFAOYSA-N 423.450 0.086 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)C1 758644802 MVBNFQQWMVQDIS-GUTXKFCHSA-N 411.484 0.882 30 20 HCED C[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 760787136 BZUZCLRCSAJRRS-ZDUSSCGKSA-N 413.521 0.541 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](CC)c2ccc(Cl)cc2)CC1 761023558 IEQCHQVEIVQXAJ-KRWDZBQOSA-N 412.943 0.993 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCOC1 763458277 PBNUHLVISKYTRK-MRXNPFEDSA-N 414.531 0.704 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCOCC 763461273 SFCKTQLVVGNIFR-UHFFFAOYSA-N 402.520 0.704 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c1 764025549 MJVMLVLQRDDRBX-PXAZEXFGSA-N 414.484 0.539 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1cnn(CC)c1 767882653 FXIUPJAZKRYKDD-UHFFFAOYSA-N 414.516 0.601 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771657830 OZBLKKKEGWDJSQ-INIZCTEOSA-N 421.567 0.648 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 774011763 GMKMPKDTWVBJSW-HOCLYGCPSA-N 408.426 0.649 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCCCNC(=O)C(F)(F)F 774881362 UCNZBYPQMBJVQG-UHFFFAOYSA-N 407.370 0.727 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)O 776589811 XUSVQNCARRTBPQ-NSHDSACASA-N 424.294 0.998 30 20 HCED N#Cc1ccccc1CS(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1 776667400 FAPGOGILTJLCQH-UHFFFAOYSA-N 420.491 0.922 30 20 HCED O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 779081049 ZFFAEJGEZHPMLM-UKRRQHHQSA-N 405.476 0.712 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)CC1 781330558 BIWKALONGNLJHU-UHFFFAOYSA-N 419.547 0.695 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN2CCNC(=O)C2)c1 781399150 BTDIETROPPLWJD-CJLVFECKSA-N 422.511 0.053 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(NC(C)=O)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 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HCED CN(C)c1c(C=NNC(=S)NCCc2ccc(Cl)cc2)c(=O)n(C)c(=O)n1C 807955727 FKYOGSCNVOHFCN-UHFFFAOYSA-N 422.942 0.844 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 817155059 SKYMJQYHOWKAPY-HNNXBMFYSA-N 418.519 0.023 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC)c1 820261176 KAZHAQNKFBNWKV-QGZVFWFLSA-N 401.444 0.507 30 20 HCED NC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 823591032 JXWZROZMUGMIJW-KRWDZBQOSA-N 400.460 0.848 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916892756 PEOUJZYEUYBZBO-UONOGXRCSA-N 412.468 0.164 30 20 HCED COCCN1C(=O)c2ccc(C(=O)NC3(C#N)CCN(C)CC3)cc2S1(=O)=O 917125930 GNJIGFTXMSVYQJ-UHFFFAOYSA-N 406.464 0.195 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 917769188 VMVIBTNYAQQVSZ-UHFFFAOYSA-N 420.472 0.308 30 20 HCED N#CCNC(=O)CN1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1099585370 SJGHPIOUSHMRIG-PITCONLNSA-N 402.495 0.037 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CCN(c3ccccc3Br)C2)c(=O)nc1O 1136825127 MVNQCKYZNPMQOX-LBPRGKRZSA-N 418.251 0.978 30 20 HCED N#Cc1cn(CC(=O)N2CCC[C@H](NC(=O)CCCc3ccccc3)C2)c(=O)nc1O 1157483080 VYMJHJSNRUIWGK-SFHVURJKSA-N 423.473 0.951 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C 1320137631 WPGKBGKBMYMNDX-CYBMUJFWSA-N 403.526 0.697 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1351736470 QYXFRJCMDJKCIN-ZDUSSCGKSA-N 406.443 0.692 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3nc4ncc(CCO)cn4n3)C2=O)cc1 1448853880 ZAIVFZQTQMCIOD-INIZCTEOSA-N 405.418 0.062 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)Cn1ccnn1 1451070880 ZPLYCMQCADRFHS-ZFWWWQNUSA-N 420.495 0.053 30 20 HCED N#CC[C@@]1(O)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1460298333 RHIGLZFHXMZETJ-HXUWFJFHSA-N 420.535 0.828 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)cc1 1476210119 ZQOFOKHSPWCFTP-UHFFFAOYSA-N 423.477 0.968 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(=O)nc1O 1538382341 SCWPIYRXIXOCMO-UHFFFAOYSA-N 400.370 0.336 30 20 HCED CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1547356347 JRBVSEKVDNEWAA-INIZCTEOSA-N 416.507 0.918 30 20 HCED COCC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555416929 CJPJRJHNYKFARG-OXJNMPFZSA-N 419.530 0.380 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 1556585924 INDPZZLNSPHVBM-LBPRGKRZSA-N 411.484 0.009 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1559975608 UMAYTUSCNZXOBD-IBGZPJMESA-N 413.503 0.737 30 20 HCED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(OCC#N)cc1 1584654707 MYKVCJCIMCADHA-LRDDRELGSA-N 409.489 0.995 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CO)c1 1611711051 JNUYPKOKCDMOSP-CZUORRHYSA-N 420.495 0.158 30 20 HCED CC1(C)CN(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCO1 1611797788 WIHBOXUQKRPLTQ-INIZCTEOSA-N 417.514 0.240 30 20 HCED Cn1cc([C@H]2C[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1 1625108476 PCRHUJWFYYDXGT-NVXWUHKLSA-N 403.464 0.607 30 20 HCED Cn1ccnc1[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CO 1627656367 QUDBXWAJCMTMJE-OAHLLOKOSA-N 405.480 0.335 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)[C@@H]1CCOC1 1631890396 BLVKCZGLAIQZMQ-VNQPRFMTSA-N 409.508 0.798 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1723884908 ODEXSSBDJPGERW-CYBMUJFWSA-N 414.495 0.863 30 20 HCED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1749329675 UZPWTNIVOKKSMJ-IRXDYDNUSA-N 411.466 0.692 30 20 HCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1770518872 OELTYSQCAXTSEI-CQSZACIVSA-N 421.479 0.639 30 20 HCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778166881 HOQWKQQSDXBSKC-QFIPXVFZSA-N 410.474 0.583 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778261629 JQMRUVLLCVWAEZ-DENIHFKCSA-N 404.555 0.832 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778707083 HZIBUGOMHAUQCU-NRFANRHFSA-N 410.430 0.815 30 20 HCED CC(C)NCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064370 IOEKAHMXRPOVHD-QFIPXVFZSA-N 405.539 0.903 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1779106703 PKGDQJVLJPWSOU-QRIYWZMZSA-N 418.450 0.760 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343099 CSLRFYSFFMCBDA-BTYIYWSLSA-N 416.478 0.407 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779404291 MXQLSTJOKZKCGL-HZQHCPKGSA-N 400.435 0.089 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ncon2)CCO3)c(C#N)c1 1781172993 MWBNIMAUAVWXLY-FQEVSTJZSA-N 411.418 0.636 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1781393879 WUQHMEYYVPRAPC-IIDMSEBBSA-N 417.528 0.298 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781395857 COSWMQFVNDFZEN-VCBZYWHSSA-N 411.503 0.325 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)c1 1781959954 POCZOOCVQUMJAW-VFNWGFHPSA-N 414.437 0.667 30 20 HCED CC(C)(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1ccccn1 1782017898 RLORCHDIOYHHPG-VGOFRKELSA-N 413.474 0.961 30 20 HCED CC(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782195024 UHWYHUGHUFGVPL-RXVVDRJESA-N 411.462 0.895 30 20 HCED Cc1nccn1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1782774867 BUAGMHPFHLVLRN-QFIPXVFZSA-N 414.506 0.720 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])o3)[C@H]2C1 1783357771 KMYXPVSYUZPMNM-HOSILWTGSA-N 405.407 0.819 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1784200043 IGPJBKNKSIRVQS-UWJYYQICSA-N 423.510 0.853 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784498962 RTDPUHHCLHJLJS-LAUBAEHRSA-N 416.526 0.631 30 20 HCED COCCn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4CC4)C[C@@H]32)n1 1787635794 VCQOWXLPKCXKOH-LNLFQRSKSA-N 400.479 0.536 30 20 HCED CC[S@](=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344563 DAXDHWNZYCQRFT-VQJBOYJSSA-N 406.508 0.638 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789345318 CDFRLHZMWCSZSP-QOKNQOGYSA-N 409.446 0.492 30 20 HCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)cc1 1792555833 MWLCHSYUJKTRQG-CWPLJXCYSA-N 407.430 0.500 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1793596049 YKWGALDDGTVHQP-JYYAWHABSA-N 411.499 0.692 30 20 HCED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(C)C(=O)CC1 1793784491 QBHATNIHGISVCJ-HGKCTWBKSA-N 402.495 0.953 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795083899 PCXFCQBQSBHJOW-IVSAIRAKSA-N 406.483 0.889 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Nc1cccnc1 1795603364 VEWAERBVWBEEIV-OYNZLANYSA-N 400.479 0.510 30 20 HCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(=O)(=O)N1CCCC1 1796440748 NMKRBWVFNJWWPD-CUSZFKRNSA-N 413.540 0.214 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc(F)c1)C2 1797810460 SQDQWLHXWHXHJO-RGCDKQNKSA-N 420.441 0.953 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=O)c1cc(C)on1 1798510010 FOWHSXMPQYIFOZ-IVSAIRAKSA-N 418.494 0.924 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)n1ccnn1 1800263123 KAJAKPSOJURCGX-KBMWQNTOSA-N 422.489 0.933 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2ccnc2)[C@H]1c1cccnc1 1805875047 AKNRWUCWZOMFRQ-WHBFPRCOSA-N 422.489 0.843 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806285402 REDQGYNLNMDBPK-DJIMGWMZSA-N 417.466 0.844 30 20 HCED CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806841434 JEYQFXCYWDCVOQ-DOTOQJQBSA-N 404.492 0.826 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)c1 1807704123 IPTAHOVZLYLWDM-TUFLPTIASA-N 419.485 0.996 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnn3cccnc23)[C@H]1c1cccnc1 1809745696 VZPSLCRQPVOJSH-HNAYVOBHSA-N 418.413 0.532 30 20 HCED NC(=O)CCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810287899 DOZRAOBGGKCEGG-UBUVPOOTSA-N 414.510 0.825 30 20 HCED CNC(=S)NCCC(=O)NC[C@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1810309196 PQQAGZDXQPWBSA-CRAIPNDOSA-N 402.524 0.875 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCN(C)CC3)sc2C1 1818796209 LGXHQMOKYSBCJF-LSDHHAIUSA-N 421.567 0.894 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)Nc1cc([C@H]2CCCCN2C(=O)COCCO)[nH]n1 1819455530 VJYPNZLKFNEMIA-PNZWGNKRSA-N 423.470 0.940 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2CNC(=O)C2)CC1 1823749424 OCNMZYXUWGGCGV-PLQXZHKYSA-N 416.522 0.601 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cnn4c3OCCC4)sc2C1 1824001115 APNUZLPWZRQHHR-SNVBAGLBSA-N 415.431 0.436 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccc3c1NC(=O)C3)CC2 1825671392 HYFVQPIJWAESQP-LLVKDONJSA-N 424.438 0.952 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063977 BJEASWMWIUNEOR-IIBYNOLFSA-N 416.478 0.855 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830752419 SHQUWQRLKAJZGO-WAOWUJCRSA-N 409.527 0.518 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830765874 WGIKMPCBLKXAOL-SQGPQFPESA-N 413.584 0.882 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1831205375 LLOIDCGRLKKXAR-LAUBAEHRSA-N 409.527 0.961 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831609740 PUVRFXBLILORKB-BTYIYWSLSA-N 414.462 0.140 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832354912 DMURKHLXNGVHEP-HRAATJIYSA-N 418.494 0.148 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3O)CCO2)C1 1833752581 RCOCCRVLCOPYIA-IIBYNOLFSA-N 402.447 0.501 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1834420466 KCBCSXQTQUPFPX-NRFANRHFSA-N 420.510 0.781 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)c1 1834447884 VCDCSRNOXGWMRA-OAQYLSRUSA-N 409.446 0.676 30 20 HCED CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756120 ROEJLJJOVRFIST-HXUWFJFHSA-N 409.483 0.868 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1835100347 NOQJYRZKYNTTAH-JOCHJYFZSA-N 406.442 0.598 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835192372 ICANDRKFBVDGBD-MHRHTVJOSA-N 419.478 0.582 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1837395196 SHHWNRSUXDEJMQ-GGOSRDHOSA-N 424.494 0.135 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1837399156 NPIILDKCHNPNGT-LAUBAEHRSA-N 422.478 0.415 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837952239 OYEOEVLSBNSGNS-KKSFZXQISA-N 417.462 0.199 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1838774273 WYBSKRPDUZHESQ-MRXNPFEDSA-N 416.478 0.839 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2)C(F)(F)F 1838805541 NFSHGDYVWSXZSJ-INIZCTEOSA-N 419.356 0.355 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839445827 OGONJAKXLLGOEX-FQEVSTJZSA-N 403.435 0.718 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccc(F)cn4n3)CCO2)C1 1839625101 BQRWFEKDHWDPNO-KZULUSFZSA-N 423.470 0.257 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccnn3)CCO2)C1 1839710220 HBWYJXIBRUNTFR-FCEWJHQRSA-N 422.486 0.096 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 1839809254 JHAJEXJTSPLQPL-GOSISDBHSA-N 423.263 0.858 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4ccccc4F)CCO3)C2)CC1 1839968733 BHSCAAHWVWXYNR-OAQYLSRUSA-N 417.437 0.965 30 20 HCED CC(C)c1csc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)n1 1840041213 YNIKNCCVEUHMSK-IBGZPJMESA-N 421.475 0.425 30 20 HCED COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158102 HANCLZQEQCVYKJ-YWZLYKJASA-N 423.535 0.798 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840162162 NXPFELTXHVURDH-MEDUHNTESA-N 400.888 0.518 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840566292 FQKKXINYMPGDOR-XWRADEMYSA-N 423.558 0.255 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1841599094 PFSDCKZVTHKPKL-CQSZACIVSA-N 405.476 0.340 30 20 HCED Cn1c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc2c[nH]c3nccc-3c21 1844665697 JMDNWAJOFODEGV-UHFFFAOYSA-N 405.414 0.911 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824642 OPKRMUISKFKHHE-HNNXBMFYSA-N 418.450 0.533 30 20 HCED COC(=O)[C@@H](CC(=O)N1CCCC12CN(C(=O)CCC#N)C2)NC(=O)OC(C)(C)C 1846304517 VKRHMJKZODKBAL-CQSZACIVSA-N 422.482 0.950 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)c1ccccc1 1848030515 YYBWPPROLXSDNO-FHWLQOOXSA-N 422.485 0.937 30 20 HCED CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)Nc3ccc(C#N)cc3)c2c1 14351934 WTCWDFXNKQSQGL-UHFFFAOYSA-N 400.420 0.621 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n(C)c1=O 24506815 IXODMOWUROPVMW-UHFFFAOYSA-N 419.363 0.620 30 20 HCED CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 62526579 WGBCFLOWJDMEOU-CABCVRRESA-N 421.523 0.877 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/C[C@@H](O)CS(=O)(=O)c2cccs2)CC1 305199898 KMMVGGWIEXEAJG-CYBMUJFWSA-N 418.541 0.408 30 20 HCED CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NCC#N 426000486 CJUFUJDUXKMUJP-UHFFFAOYSA-N 409.512 0.605 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 427678153 KKFZQZBIYYONMQ-CHWSQXEVSA-N 418.450 0.856 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 439681620 BOMUUOMGJSLUET-UHFFFAOYSA-N 406.443 1.286 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)n1 442372893 IWNGGJUIDFSADN-XJKSGUPXSA-N 424.436 1.339 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(c4ccnn4C)C3)CC2)c1C#N 447047760 MCNQJFCKAHFFNC-MRXNPFEDSA-N 411.514 0.834 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 447266259 VMALWLMABZPNJX-UHFFFAOYSA-N 412.837 0.993 30 20 HCED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@]1(CO)CCOC1 461359838 GBIJKMCNTOFWPO-FQEVSTJZSA-N 415.450 0.538 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1 463388418 GTKHGISCPVSRRX-CVEARBPZSA-N 415.537 0.741 30 20 HCED C[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)CN1CCN(C)CC1 464907249 FQFORKOIJGWPFU-IAGOWNOFSA-N 400.531 0.452 30 20 HCED Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc(S(N)(=O)=O)c1C 465258251 HINJYQLNDRQJLI-CYBMUJFWSA-N 414.491 0.963 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 472185005 ALHBISGOEVWPJH-UHFFFAOYSA-N 409.493 0.959 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 476083201 BJHNDTFGSXOZQC-UHFFFAOYSA-N 412.454 0.266 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 478980502 GJPRZPADFQRWLF-CQSZACIVSA-N 424.479 0.110 30 20 HCED N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 479288135 TXMRCUPRTXAGTL-UHFFFAOYSA-N 413.399 0.176 30 20 HCED CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1 480417412 OGKWNWYYKTWCSR-MAUKXSAKSA-N 408.524 0.698 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 481029698 BBXIQKDUHUYTRQ-HOCLYGCPSA-N 410.496 0.529 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 481781588 QJHMDLMWUIAIHP-CVEARBPZSA-N 420.535 0.937 30 20 HCED C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 486486523 MJYJFHQNBWXKCQ-YLJYHZDGSA-N 412.538 0.842 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc3c2OCCO3)c1=O 488998521 XEMGGFIINXIILG-OAHLLOKOSA-N 424.478 0.976 30 20 HCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1 490422381 OMSPVGQAYHZSDR-CYBMUJFWSA-N 408.480 0.700 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505666637 YECFOTCVBMTHFE-UHFFFAOYSA-N 417.535 0.406 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 508907692 OPWICKSVKIGDCR-UHFFFAOYSA-N 411.470 0.922 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2F)CC1 509003144 VJEYHVGWOUBMPJ-CYBMUJFWSA-N 409.491 0.935 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC(F)(C#N)CC2)CC1 510952436 ZJWDPDLBELEJHH-UHFFFAOYSA-N 413.475 0.452 30 20 HCED C[C@@H](CCN1CCOCC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 511097825 GFOVRPZXIZFMDR-MAUKXSAKSA-N 413.478 0.990 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C[C@H](C)C#N 513374724 CKYLACKVQWWICL-OAHLLOKOSA-N 423.495 0.909 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)NCCC)CC2)c1 515711556 XOIYQNTVLZIGNZ-UHFFFAOYSA-N 422.551 0.871 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC3(C#N)CCN(C)CC3)CC2)c1 520246330 AEPUCUZZHGCWPI-UHFFFAOYSA-N 419.551 0.551 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 520647014 PPJOFOSFHPDEIE-UHFFFAOYSA-N 422.445 0.365 30 20 HCED Cn1cnn(-c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)c1=O 521126961 WEULRGDNLFSUDE-UHFFFAOYSA-N 412.431 0.360 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 526103462 QUQPKKHALUBYHS-UHFFFAOYSA-N 410.496 0.214 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 531696642 GJYNPXGNZVEBHB-YPMHNXCESA-N 404.414 0.978 30 20 HCED C=CCNC(=O)NC(=O)Cn1c(=O)c(Br)cn(Cc2ccccc2)c1=O 535689234 FJWXRIXYPUHWCQ-UHFFFAOYSA-N 421.251 0.833 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(N)=O 538495729 YFUORZGXAAEPNJ-LLVKDONJSA-N 414.487 0.225 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2ccc(C#N)cc2)cc1S(N)(=O)=O 538768177 UKEAPHGLOJZTKG-UHFFFAOYSA-N 402.432 0.512 30 20 HCED C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542998634 RZPSKNFDKPBVSO-AAEUAGOBSA-N 403.826 0.944 30 20 HCED CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 554694101 COIOOQHODRHYPG-MOPGFXCFSA-N 411.506 0.574 30 20 HCED N#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 554803468 KXFCKMJZGBBSKV-UHFFFAOYSA-N 422.326 0.999 30 20 HCED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 556333478 CJVQKGUHZMUIFY-UHFFFAOYSA-N 408.506 0.912 30 20 HCED C[C@@H](Cn1cccn1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 559298171 WSIWAUCWGFEMPS-AWEZNQCLSA-N 423.433 0.856 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 562913105 VYAWGGALYBZYQT-LJQANCHMSA-N 423.491 0.655 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)N1CCOCC1 563699438 WNQSLGMAGQCPHU-ROUUACIJSA-N 413.522 0.428 30 20 HCED COc1cc(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)ccc1F 575998647 VCGWVTCXTIOHEQ-UHFFFAOYSA-N 400.414 1.232 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(=O)N(C)C 604270395 XTIYTUIOBJUNGX-UHFFFAOYSA-N 418.544 0.479 30 20 HCED Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1S(=O)(=O)NCC#N 609414306 ALVGYUYMATZIEV-KRWDZBQOSA-N 408.524 0.980 30 20 HCED N#Cc1cnn2c(O)cc(Cn3nnc([C@H]4CN(Cc5ccccc5)CCO4)n3)nc12 609479277 DSBFELLAAJTDQM-QGZVFWFLSA-N 417.433 0.915 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 674377643 RUPSPYOYLDZVGL-OAHLLOKOSA-N 406.464 0.259 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(NC(=O)CC)cc2)C1=O 726043287 MRNUHOROIMMYTM-UHFFFAOYSA-N 401.375 0.738 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1 728531311 GWAVMZHTJNAOIY-UHFFFAOYSA-N 402.458 0.904 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 728915320 PWAHTBMLNUIHPM-STQMWFEESA-N 420.516 0.708 30 20 HCED O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCCN/C(O)=C1\N=CC=CC1=O 732155786 FVKOWKHNRZGFCT-CZIZESTLSA-N 409.402 0.714 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 741157871 JGCBUTYLQFCSHK-UHFFFAOYSA-N 404.489 0.590 30 20 HCED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746191193 QPBDPPKSYAWJNQ-HNNMJWTQSA-N 403.527 0.920 30 20 HCED CCOC(=O)C1=C(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)NC(=O)N[C@@H]1C 750822237 LBTGKJNTEPHRMX-GIPWTMENSA-N 411.418 0.844 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ncccc2F)C1 755576250 MGHYOVSUTQKRKW-GFCCVEGCSA-N 403.439 0.654 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 757593718 XXVWVONNWOJONF-FZMZJTMJSA-N 411.484 0.754 30 20 HCED CCN(C(=O)[C@H](C)OC(=O)C#Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 761218870 FOPMVFCKZVAXAC-DZGCQCFKSA-N 407.444 0.734 30 20 HCED COC(=O)C1(O)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 770250177 JVYZCZKZCPELTC-GFCCVEGCSA-N 409.464 0.030 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCCO1 773555737 HPLIAAACPJDQPY-SJORKVTESA-N 422.463 0.792 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 775191091 MAMQNFKNCCNSIG-CHOFAJOMSA-N 422.507 0.739 30 20 HCED C#CCCN1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 776593164 SAQQTLIGZAHGPM-QGZVFWFLSA-N 409.577 0.905 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)ccc1F 781136057 BFYWJVXBHLGMCD-LLVKDONJSA-N 415.443 0.341 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 784871041 UZZCNFDMHWVQEW-HZPDHXFCSA-N 417.487 0.518 30 20 HCED COc1ccc(NC(=O)COC(=O)c2ccc(C#N)[nH]2)cc1S(=O)(=O)N(C)C 786093982 UQSLQIYMFVFVAE-UHFFFAOYSA-N 406.420 0.941 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 787758821 KVLKARMUKPUBIH-LJQANCHMSA-N 417.473 0.718 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1 789793402 JEFOBEBHQYXEIG-UHFFFAOYSA-N 411.462 0.971 30 20 HCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 795332002 ARRQHJINEOXYHK-KRWDZBQOSA-N 409.464 0.263 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1=O 798634619 RQAQLPYTEPEMLO-UONOGXRCSA-N 402.856 0.309 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCN1Cc1ccccc1 804049927 GWFHZZLUNMBYJT-AQNXPRMDSA-N 411.506 0.202 30 20 HCED Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 806236119 OZIBOWUYSFXJEF-GOSISDBHSA-N 405.462 0.894 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)[C@@H]1CCCO1 809306952 XDUMNHZUDDRXJI-HKUYNNGSSA-N 413.474 0.667 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1CCCO1 809307106 YSASGCSYFNEXAX-IRXDYDNUSA-N 403.866 0.921 30 20 HCED Cc1nc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)cc1C#N 812460838 AHZYJMDYOJAKED-ZDUSSCGKSA-N 418.928 0.554 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccnc1OCC(F)F 820791478 UKTIEJLKEAZADS-BUHFOSPRSA-N 402.379 0.530 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)COc2ccc(C#N)cc2)CC1 917222252 BCYHACPPSWYWPO-UHFFFAOYSA-N 416.478 0.539 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 918329259 AEPLHLOOBDLEPV-NVXWUHKLSA-N 417.487 0.100 30 20 HCED C=CCn1cc(C(=O)N2CCCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1019633513 RNNAUKKJVCKPHO-GZHKEPGYSA-N 401.467 0.235 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C1CCOCC1 1097880343 GTIDEZWREAEZFJ-DZVNLGKHSA-N 402.499 0.837 30 20 HCED COC(=O)[C@H](COC1CCC1)N(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1266147449 RVFGIZNCGGKQJB-AWEZNQCLSA-N 409.464 0.294 30 20 HCED Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cn1 1298810950 IKJICLSBVQIBGQ-GOSISDBHSA-N 402.434 0.403 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1302465649 BBRVMFAHQQYBHV-KRWDZBQOSA-N 416.507 0.382 30 20 HCED CN(CCN(C)S(=O)(=O)c1ccccc1C#N)c1ccc(S(N)(=O)=O)cc1 1309534757 NQICUDKJZWUSCY-UHFFFAOYSA-N 408.505 0.963 30 20 HCED C[C@H](CC#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1318420427 HZNHCXSSHFLJTO-NTWITZMVSA-N 413.521 0.798 30 20 HCED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 1319284120 LOXYVOATPDKQKF-ZCXUNETKSA-N 404.448 0.400 30 20 HCED CCc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1S(C)(=O)=O 1343353978 GKKRBNDTKGXUPF-AWEZNQCLSA-N 412.489 0.232 30 20 HCED CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1440748006 OPLLQEOCYSEXJI-DOMZBBRYSA-N 410.521 0.653 30 20 HCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1517022852 JFDHISRICQNREP-XJKSGUPXSA-N 400.480 0.853 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCN2CCC(O)CC2)c1 1521083748 ZUWFNOHVRWCSLU-UHFFFAOYSA-N 423.521 0.990 30 20 HCED CCCNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1547235602 MVEPQWITKFZXRH-BLLLJJGKSA-N 415.495 0.247 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)nc1 1583088073 SMKNWLXANORCDL-QWHCGFSZSA-N 402.398 0.825 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CC[C@@](O)(CC#N)C1 1659155146 IXPYDSPTNWWMQZ-UGSOOPFHSA-N 410.496 0.623 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2COCCO2)C1 1698482845 LUNGQUAVXDWFAJ-SCLBCKFNSA-N 401.402 0.783 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCOC1 1706880576 VLOCLJHLSWYNMY-RRQGHBQHSA-N 412.516 0.170 30 20 HCED Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1711267173 GUNWWSMFBMJYDG-INIZCTEOSA-N 417.539 0.895 30 20 HCED Cc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1761778482 YPWWZCUZLHZOGQ-IBGZPJMESA-N 401.446 0.914 30 20 HCED CC(=O)O[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1778791104 DNTDDLVJMCGJRX-DYESRHJHSA-N 422.526 0.686 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccn(CCOC)n3)CCO2)C1 1778971170 LLNDQKBRWOYBHF-LAUBAEHRSA-N 420.510 0.546 30 20 HCED Cn1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cccc1=O 1779134593 JSPKLBKXNCJVQI-MHRHTVJOSA-N 412.446 0.541 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139106 OJJRBEUOVBJQIF-PTZOJGTBSA-N 402.451 0.219 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779314709 DGJLGFYTHZLUDU-KYFSNAEOSA-N 422.526 0.246 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C)nc3OC)C2)C1 1779737791 FIGHMPMOCADPLS-HRAATJIYSA-N 401.463 0.880 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5ncon5)C4)C3)c2c1 1779870270 VKBSODZQLWQSNE-IBGZPJMESA-N 407.390 0.575 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780124201 RGDFYSQXFOPCAH-AKCHCHLHSA-N 419.482 0.698 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3C[C@H](O)CN3)C2)c1 1780601299 GQFJCJYMJVXDIC-PSHVLCQKSA-N 412.490 0.409 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782434633 LMWOISNLHKUZEI-YCRPNKLZSA-N 402.495 0.943 30 20 HCED COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)(C1)C2 1783443847 NTUUGBRPMYRKIY-CBNMVNINSA-N 412.446 0.673 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975923 PCNUJAMDFITQHD-DOMZBBRYSA-N 411.446 0.449 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)CCCn3ccnc3)C2)C1 1784399108 OWUDQRWNQZAHNG-CPOKCXMASA-N 416.526 0.965 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1784503011 MKXUHBOKZFZGEP-RFGFWPKPSA-N 407.427 0.502 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)NCC)C[C@@H]21 1784504964 XWLJBLAKCVCOOH-QEOTZNIISA-N 410.515 0.265 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4nn[nH]c4C(F)(F)F)CCO3)C2)CCC1 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20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N[C@@H](CC)CO)cc2)C1=O 427928245 CGUZBBHOIXWKQJ-AWEZNQCLSA-N 416.434 0.032 30 20 HCED N#Cc1ccsc1NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)CCO)ccc21 430100734 GUQYILDCQFKMFS-UHFFFAOYSA-N 407.429 0.932 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 432479044 PJHKJXLWXCMWSC-UHFFFAOYSA-N 413.478 0.862 30 20 HCED Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 434766617 OFOPWUYLRWRVKR-MRXNPFEDSA-N 409.450 0.826 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(Cl)cc3C#N)cn2)CC1 438765239 RJECDGISOHAVPB-UHFFFAOYSA-N 422.898 0.983 30 20 HCED Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 441619327 ZYOUDBXGBLSEEF-HNNXBMFYSA-N 408.397 1.314 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 446803024 SUABCVXIAFUXQJ-HUUCEWRRSA-N 424.465 0.257 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 447246466 GNNLLWBUANHKCC-UHFFFAOYSA-N 403.870 0.917 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC(=O)N(C3CC3)C2)CC1 447911274 HIOXHCIXBOPGSL-UHFFFAOYSA-N 410.434 0.719 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCC(=O)Nc1ccccc1 460577040 DAJZQDFCQJPASC-UHFFFAOYSA-N 417.429 1.531 30 20 HCED N#Cc1ccc(OC2CN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)cc1 461739428 XSOIDTXXCKFXEO-LSDHHAIUSA-N 403.460 0.183 30 20 HCED CCOC(=O)[C@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 466374386 RZGDPSRHKDGCLZ-KPZWWZAWSA-N 419.463 0.709 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 468226516 CCGSEZNASQYMSW-OAHLLOKOSA-N 416.459 0.979 30 20 HCED C=CCn1c(O)nnc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 470829073 AGRFGGKXXZMBIH-STQMWFEESA-N 416.525 0.457 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H]1c1cnn(C)c1 470954499 ZQJLSYCBIYGLLK-SESVDKBCSA-N 422.489 0.555 30 20 HCED CC(C)N(C)C(=O)C1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 471238557 UUYPRIYYQNGZCF-UHFFFAOYSA-N 407.559 0.640 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(F)(F)F)CC1 479885224 DVTANUXKSZVIIG-GFCCVEGCSA-N 404.414 0.932 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC(C)(C#N)C3)CC2)cc1 482625954 DHUXPEOPVXNWSC-UHFFFAOYSA-N 418.519 0.980 30 20 HCED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCCOC2)O1 482965619 UMEVOKXNVWNIQD-DNVCBOLYSA-N 407.492 0.975 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3CCN(c4ccccn4)CC3)C2=O)cc1 489244088 ZBJJCJSHQHYXJY-FQEVSTJZSA-N 418.501 0.993 30 20 HCED CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCN(CC#N)CC1 491585632 FVNPHPYKGGUAIB-UHFFFAOYSA-N 400.526 0.499 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC3(CCC3)C2)CC1 499270501 CQXOPSFVUYOVIC-UHFFFAOYSA-N 418.519 0.646 30 20 HCED COc1ccccc1CC(=O)N1CCC(Nc2c(C#N)c(=O)n(C)c(=O)n2C)CC1 500563862 OOXVALSQNJGTHX-UHFFFAOYSA-N 411.462 0.610 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(Cl)c1 503487256 KVTDZYXWBDLAMB-UHFFFAOYSA-N 410.883 0.667 30 20 HCED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cc(C)n(CC(=O)NC)n1 504101294 YZKBUVZTWAEGTH-UHFFFAOYSA-N 414.422 0.999 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCC2(O)CCOCC2)n1 506966834 GGRWRUUQUVSOSH-UHFFFAOYSA-N 401.398 0.869 30 20 HCED C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 507549196 JNPLDFJEJMVNSL-UHFFFAOYSA-N 419.463 0.759 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCOCC 514982564 RYVSBQIPAAYEPH-UHFFFAOYSA-N 416.503 0.379 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 515758379 QOGRSFJVOWSPMY-UHFFFAOYSA-N 412.471 0.750 30 20 HCED C[C@@H](C#N)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 521142875 RPTDQVDNPMCOCD-FZMZJTMJSA-N 421.928 0.697 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)c3ccncc3)c2)C1=O 523383227 CQKQUENPUDQSDG-UHFFFAOYSA-N 421.413 0.927 30 20 HCED CCOC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 534017933 KUINIGZDSQHGLN-GUYCJALGSA-N 423.491 0.700 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)n1 539170937 ZFFRJJBTQHNLCL-UHFFFAOYSA-N 410.434 0.964 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CN(CC(C)C)CCO1 541383804 OTBPCKBJNSELFU-QGZVFWFLSA-N 418.494 0.995 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546203651 MLADPTPVNZHDNE-UHFFFAOYSA-N 406.446 0.942 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 546710261 ZGBNZGIBKREBDB-UHFFFAOYSA-N 408.462 0.969 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)C1 548572019 IEYYGEUTFAQERK-INIZCTEOSA-N 409.464 0.965 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2c(OC)cc(OC)cc2OC)C1=O 553619331 KZNMGCOIDHKFCA-MRXNPFEDSA-N 419.478 0.616 30 20 HCED Cc1c(C(=O)N2CCN(c3cnccc3C#N)CC2)cnc2c1c(=O)n(C)c(=O)n2C 553697637 YXGANCUWNJZVAM-UHFFFAOYSA-N 419.445 0.170 30 20 HCED CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H]1c1ccnn1C 554235159 OSCICJYRCOSLBO-OXQOHEQNSA-N 422.493 0.880 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)n1 555036344 RWUAUPMCCLCIHT-UHFFFAOYSA-N 416.445 0.817 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)n1 555333497 RJBVVWQEGXBYTP-OKILXGFUSA-N 401.810 0.962 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 555883584 YGZHZRJINUEHJM-ZDUSSCGKSA-N 414.443 0.999 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)C2 555898135 QJMVSZQQKYWOTK-MRXNPFEDSA-N 405.462 0.374 30 20 HCED CN(CCC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 557602704 GXMLMVDWJYNTAP-UHFFFAOYSA-N 419.507 0.899 30 20 HCED Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)no1 567800958 PYNYXLISOCKIMO-UHFFFAOYSA-N 420.433 0.718 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NCC2(C#N)CC2)cc1F 569916912 FEFYHNLQZSXZPZ-LLVKDONJSA-N 404.398 0.866 30 20 HCED COCCN(Cc1ccnn1C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 578267628 UVHDRJHULFAALA-UHFFFAOYSA-N 408.422 0.486 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 582757088 WELJRZKRJPPGRV-OAHLLOKOSA-N 404.492 0.886 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cc(C(N)=O)ccc3F)CC2)c1C#N 582838664 SRDORDWRTFQAAK-UHFFFAOYSA-N 416.438 0.849 30 20 HCED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 584015380 DKSSHIZOZVBASG-HRAATJIYSA-N 411.462 0.154 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 611429605 XJTVOSXUBQPUMS-QRVBRYPASA-N 417.579 0.988 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 685171337 GPYSLYRXYKGHEO-WMLDXEAASA-N 402.499 0.187 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1 728536065 HGFAPFWFAVDDLR-UHFFFAOYSA-N 420.535 0.223 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CC1 735519215 QXNABUGPYMMWMZ-GOSISDBHSA-N 412.538 0.763 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c1 735820900 LVAFLZNTUMLAAF-INIZCTEOSA-N 404.469 0.857 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCC2)cc1 737250963 DTNLPGQOQWRQEQ-QNGOZBTKSA-N 408.480 0.469 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745354045 RPXPJEDLXJVXIR-WCQYABFASA-N 413.500 0.255 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 746216322 YAKUJSKKHZIPPN-DOTOQJQBSA-N 422.526 0.641 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 749338866 TXWZXKSTTDCIGX-SNVBAGLBSA-N 403.254 0.938 30 20 HCED C#CC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 757059440 VXCBLGVCUZEPRU-IBGZPJMESA-N 419.551 0.570 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)ccc1F 760794040 KWPFEZHAKCHGAT-GFCCVEGCSA-N 404.485 0.939 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccc(C)cc2)C2CC2)CC1 761030001 CCRHMNGLFPQLGE-HXUWFJFHSA-N 404.536 0.648 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c1 761370022 BBVDIPQPKCFTGL-UHFFFAOYSA-N 405.388 0.525 30 20 HCED C[C@@H]1CCS(=O)(=O)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 762507680 LLGNNCWRKBSHCQ-CYBMUJFWSA-N 413.521 0.541 30 20 HCED C#CCn1cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cn1 788218597 BXQDWJQCEWZRDB-KRWDZBQOSA-N 402.476 0.904 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)n1 789786867 BJXPQXGNKPJDPQ-UHFFFAOYSA-N 421.461 0.770 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccn(C)c2)c1=O 794613118 MIVBNUMKEUHCJU-MRXNPFEDSA-N 415.515 0.784 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCc4cnn(C)c4C3)CC2)o1 798768300 RNGANWQBWOCDBM-AWEZNQCLSA-N 412.450 0.585 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c(F)c1 802559781 XOCLPEGZGWAKJE-UHFFFAOYSA-N 405.401 0.982 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 806190840 HZVLYGZKQRWZTP-HPGBDJQBSA-N 404.536 0.886 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1CCOC 838246285 PZCCPIAPPQENHU-UHFFFAOYSA-N 417.462 0.509 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 915798956 WRQSSHPRBWMFBM-OALUTQOASA-N 420.491 0.912 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(F)cccc2F)c1=O 916198712 UFFUHYRCYWKGKI-UHFFFAOYSA-N 407.442 0.862 30 20 HCED CCOC(=O)C1=C(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)NC(=O)N[C@@H]1C 916606456 CELNGMWDAHLXCJ-BIBXISHDSA-N 411.418 0.844 30 20 HCED COCCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918270421 LORCQBCLMPBVKR-PGMHBOJBSA-N 410.496 0.981 30 20 HCED C#CCN1CCC(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 919964058 IDHOQKGLTVTYOL-UHFFFAOYSA-N 421.519 1.000 30 20 HCED C#CCC1(C(=O)NC[C@]2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1040064870 WGOFKHRZWSQSSV-ORHUHTHUSA-N 402.491 0.310 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1288526595 WWUKOJGQGSCCFM-KGLIPLIRSA-N 408.528 0.977 30 20 HCED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1297807359 WEQISJMTNZXLPV-BCOMRZATSA-N 413.507 0.799 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1301960123 VIAXVCMPZMPEQL-AWEZNQCLSA-N 404.496 0.876 30 20 HCED Cc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cs1 1492690428 MHQJZVQWHAAFRW-UKRRQHHQSA-N 422.536 0.917 30 20 HCED CC[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1512670402 IYJHITAMVPFFHF-ALKREAHSSA-N 422.555 0.518 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1517399725 VPUUDBGFSWCLRF-OAHLLOKOSA-N 404.496 0.837 30 20 HCED COCCn1cc(N2C[C@@H](C(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2=O)cn1 1542769074 YDGZOJSQXUPJHI-FUHWJXTLSA-N 402.499 0.575 30 20 HCED COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](O)C[C@H]2C(N)=O)cc1 1559998658 JEEHWYWCHDTSRX-QAPCUYQASA-N 411.462 0.833 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1618535991 MWHQFHGBCDPLCC-CYBMUJFWSA-N 404.496 0.680 30 20 HCED CN1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2C#N)CC1 1656954048 WFMVSAYKTAOHOK-UHFFFAOYSA-N 401.286 0.373 30 20 HCED COC(=O)C1(C#N)CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 1658666824 QTUFCZLUPPYNLA-UHFFFAOYSA-N 408.480 0.654 30 20 HCED CS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712701189 DTWIOXIIXKQCBR-QGZVFWFLSA-N 415.523 0.485 30 20 HCED C=C(Cl)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1722558701 VSCVQVZICNPIAY-GFCCVEGCSA-N 401.880 0.841 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722865566 INZKWHNRKUEHKC-LIRRHRJNSA-N 414.491 0.962 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1746702216 SVALNWMBYWNOJN-IAGOWNOFSA-N 415.491 0.807 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC 1765012932 IJNMBWZBSQBFED-MRXNPFEDSA-N 411.466 0.580 30 20 HCED CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1=O 1767083444 YOIXIMVFEAUUGO-QFIPXVFZSA-N 423.521 0.942 30 20 HCED CNS(=O)(=O)CCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1767846661 ZRSPLSJUIIRXAN-UHFFFAOYSA-N 420.499 0.199 30 20 HCED CNC(=O)C(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769098987 NCIFRXOLVNAQNV-HNNXBMFYSA-N 409.498 0.684 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1778885503 KBZSGNJWOMLXGU-YWZLYKJASA-N 402.499 0.918 30 20 HCED 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KKJBADWJFLUQID-OXJNMPFZSA-N 420.514 0.683 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(S(C)(=O)=O)cn2)C1 1842255309 LDXHCHNVIWZPJD-INIZCTEOSA-N 421.519 0.875 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837063 WITHUWADDQCWAS-OAHLLOKOSA-N 413.540 0.453 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300783 AIKNKJINCKATIB-NJSYOOGUSA-N 409.487 0.426 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)COc1ccc(O)nn1)C2 1845189348 WLYQVPIRQQVCHL-UHFFFAOYSA-N 404.423 0.274 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccs1 1847262767 FXCRTQOINHSDPA-LUNKNMTDSA-N 416.503 0.538 30 20 HCED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(CC)c2=O)NC(=O)N[C@H]1c1ccccc1 10855807 IIALDWCUEBJAAD-KRWDZBQOSA-N 423.429 0.773 30 20 HCED C=CCc1ccc(OCC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 43057865 ATGNUOXIBLBAOW-HNNXBMFYSA-N 410.492 0.612 30 20 HCED C=CCn1nnnc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 52895468 UKEBJYOOVNIVLM-CHWSQXEVSA-N 401.514 0.146 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCOc2c(C)cccc2C)c1=O 53576851 GUPHBNCNABXCJW-UHFFFAOYSA-N 414.462 0.356 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 110021675 OECNUOKDHLGBCF-GOSISDBHSA-N 408.524 0.917 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 111225059 ZQPPXZBXIKRUEI-ROUUACIJSA-N 400.458 0.938 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1=O 430448802 IGSHJDAJMRDSJV-IERDGZPVSA-N 417.437 0.992 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CCCC(=O)N2)n1 435227365 QFMXEKMHGHGNLM-CYBMUJFWSA-N 400.826 1.121 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)cc1 440328888 MBMRIFUIYCZJNU-ZDUSSCGKSA-N 407.492 0.965 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2Cl)n1 441656511 GEZWBXAFBKPZTP-OAHLLOKOSA-N 400.826 1.088 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)NCc1ccccc1 443017252 AANMDBNNOOVDCW-UHFFFAOYSA-N 424.460 0.864 30 20 HCED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCC2CCN(CC#N)CC2)c1 443498535 HVJBGEGXGNXDHV-UHFFFAOYSA-N 409.464 0.774 30 20 HCED Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 443758714 YIOWIPFNHSLJAN-UHFFFAOYSA-N 423.477 0.999 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 447415153 ZCLLRGYKXZCPTC-HNNXBMFYSA-N 419.449 0.596 30 20 HCED CCc1nnc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c(C#N)c1CC 467733462 WRWSRMINTVNAOE-UHFFFAOYSA-N 418.479 0.676 30 20 HCED C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469519288 QKXKVHLCHBUELI-PJACHSRJSA-N 422.485 0.774 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CN(C(C)=O)C3)nnc12 469741494 LMXJRAVJLWLWEA-UHFFFAOYSA-N 412.475 0.669 30 20 HCED N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 470554229 XAOQZALDRRBLHG-CABCVRRESA-N 416.459 0.955 30 20 HCED C[C@@H](CO)N1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 470933788 ULUGMNKHAGNLQH-AWEZNQCLSA-N 414.441 0.737 30 20 HCED Cc1nn(C)c(N2CCN(CCC(=O)N3CCN(c4ccccn4)CC3)CC2)c1C#N 472148921 AYFZPMSEEPHYQA-UHFFFAOYSA-N 422.537 0.856 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 476284466 PUOREGAYXOTCFC-KZNAEPCWSA-N 418.519 0.883 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 476694531 SYXSZUMABIZZKA-IBGZPJMESA-N 423.433 0.693 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)N(C)Cc1nnc2n1CCC2 480589337 PJDAVGQKIJTMQU-QGZVFWFLSA-N 417.495 0.452 30 20 HCED Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 481086037 YEAMGGLZEGUDPU-UHFFFAOYSA-N 406.402 0.685 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cc(F)c(F)cc2F)c1=O 487398402 KHTIQBZVXZMWRZ-LLVKDONJSA-N 423.416 0.662 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cnn(CC(F)F)c3)C2=O)cc1 488675700 JILWFGOABSGHRJ-HNNXBMFYSA-N 416.388 0.876 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 488832808 SOYYJXAMGASILP-CQSZACIVSA-N 414.509 0.032 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 489014144 OJUREYJQOUTAPN-TZMCWYRMSA-N 417.512 0.654 30 20 HCED CNC(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 508624870 WTYATKCEAZNITK-INIZCTEOSA-N 409.450 0.985 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc(C(=O)OC)nn2)CC1 508845553 CBUPUTWXDSVKJC-UHFFFAOYSA-N 414.470 0.920 30 20 HCED C=CCN1CC[C@@H](N(C)c2cc(N(C)[C@@H]3CCN(CC=C)C3=O)n3ncnc3n2)C1=O 513055477 AGIVNBLPCKBSMZ-HZPDHXFCSA-N 424.509 0.571 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2C[C@H]2CCOC2)cc1 518403973 OTLGRCHBVDILPU-IAGOWNOFSA-N 423.477 0.979 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)cc1 538399447 CTLXTZAEPANZPI-UHFFFAOYSA-N 402.480 0.137 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)n1 539181529 MBOPCUXLACHQNW-UHFFFAOYSA-N 410.438 0.117 30 20 HCED CC(C)(O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 539367933 CUXCULNWHHOMLI-KRWDZBQOSA-N 405.568 0.845 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCS1(=O)=O 541358209 QGZOHCVLQZMHGE-CQSZACIVSA-N 409.464 0.605 30 20 HCED COC(=O)[C@H](CO)NC(=O)c1cn(CCC#N)nc1-c1ccc(OC)c([N+](=O)[O-])c1 541709857 RYQLHBWJONQZRQ-ZDUSSCGKSA-N 417.378 0.644 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNC(=O)c1ccco1 544169972 ZAXYJEZTKXOHKQ-UHFFFAOYSA-N 400.391 0.661 30 20 HCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C1 550380757 VCJLLILCIZMJSW-WBVHZDCISA-N 412.494 0.731 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCC(=O)N3CCCCCC3)CC2)nc1 552589508 URWQYPBODUXUMW-UHFFFAOYSA-N 412.494 0.511 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 558157696 CWSKABSHLLCLCI-JKSUJKDBSA-N 402.503 0.172 30 20 HCED C=C(C)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCCOC)CC1 559023272 HIPHDRRTZSGLIP-UHFFFAOYSA-N 401.515 0.744 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@@H](C)N3CCCCC3)CC2)c1C#N 561620621 CSDZOCZBVRGWSH-MRXNPFEDSA-N 415.542 0.630 30 20 HCED N#CCCn1ccc(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 576510566 MWDJEGLYKCIWHM-UHFFFAOYSA-N 412.269 1.476 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCc2nnc3ccccn23)n1 577310072 CQQFIMRNQUTDFO-UHFFFAOYSA-N 415.417 0.869 30 20 HCED Cc1nsc(N2CCN(CC(=O)NCC(C)(C)N3CCOCC3)CC2)c1C#N 579531858 JALHIAOCXHLZPZ-UHFFFAOYSA-N 406.556 0.672 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603795539 YUSBCUVXPMJUEV-UHFFFAOYSA-N 419.453 0.960 30 20 HCED N#C[C@H]1CN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCO1 609282976 JWMTUGAIMNANAX-SFHVURJKSA-N 401.467 0.781 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCN(CC#N)CC2)C1 609332351 FWUBPBPBGATDRM-OAHLLOKOSA-N 408.528 0.531 30 20 HCED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 609899352 VQRSOWFLMSTUSJ-UHFFFAOYSA-N 413.521 0.810 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NC3CCN(CC#N)CC3)cn2)C[C@H](C)O1 610478747 AMNRMRAKNCMYJK-GJZGRUSLSA-N 403.487 0.628 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 610804384 NCHGOALIVJOUCJ-SJLPKXTDSA-N 420.535 0.938 30 20 HCED CC(=O)N[C@@H](C(=O)NCC#CCNC(=O)[C@H](NC(C)=O)C1CCCC1)C1CCCC1 680339363 FFMVCXVRYMBMIN-WOJBJXKFSA-N 418.538 0.612 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOC2)cc1 730071948 FBNUIMORDJGZOX-HDOZFUISSA-N 408.480 0.733 30 20 HCED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCCn1ncc(C#N)c1N 731772879 APMXCHGTFHHMSB-UHFFFAOYSA-N 406.468 0.707 30 20 HCED Cc1nc(CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cs1 732467740 XOXZDFKOWPVZLU-MSUUIHNZSA-N 404.496 0.805 30 20 HCED CCCS(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 739204454 WDHNSCYKAHFGOD-ZDUSSCGKSA-N 401.510 0.996 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 741410645 JAKMFZBGVRPQQR-XDSRXIPYSA-N 413.478 0.449 30 20 HCED C[C@@H](CC(=O)OCCn1cc([N+](=O)[O-])cn1)/N=C1/NS(=O)(=O)c2ccccc21 748133346 LISZZZGSCQZIPQ-NSHDSACASA-N 407.408 0.852 30 20 HCED COC(=O)C[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 752745580 CHOJJCCIEYWUIG-CHWSQXEVSA-N 409.464 0.294 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3COC4(CCOCC4)O3)C2=O)cc1 753176961 QEYNKUATNJSRJS-MSOLQXFVSA-N 414.462 0.880 30 20 HCED C#C[C@H](CC)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 754379100 HELOLIWDDUDRGU-HIFRSBDPSA-N 420.940 0.950 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 755778353 JPCDGWYIKMDDBQ-AVGNSLFASA-N 401.485 0.502 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 756458966 MTZHDAUDSCNJSK-OALUTQOASA-N 410.438 0.484 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 758069244 OBKHLDRRYDHVQB-ZFWWWQNUSA-N 411.483 0.525 30 20 HCED CN(CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(C)(=O)=O 758365081 YMXRRMXBINHEIX-CHWSQXEVSA-N 403.505 0.326 30 20 HCED CC(C)(CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)NS(C)(=O)=O 758483982 ZQQJMVHIHNUOPT-RYUDHWBXSA-N 403.505 0.372 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762940328 HYMZEJSYEVHAPO-CYBMUJFWSA-N 411.480 0.420 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](C2OCCO2)C1 763422275 AMAXTTZCYGTYRP-OAHLLOKOSA-N 410.434 0.997 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 767958420 LYBVWPWGUJOFMU-QGZVFWFLSA-N 422.526 0.296 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 770267017 VXQQULNEDNMNBW-UHFFFAOYSA-N 407.515 0.416 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2cn(CC(=O)OC)nn2)c1 770706016 YSMYMNFPDGCONV-LBPRGKRZSA-N 408.436 0.833 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCC1 771080651 MHRVFNHGULXCTC-NSHDSACASA-N 410.408 0.932 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 774014446 XEGABPAURJYMEH-GDBMZVCRSA-N 408.426 0.649 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 778064695 ZVYDXIMGXPLRTE-UHFFFAOYSA-N 419.437 0.431 30 20 HCED CNC(=O)CNC(=S)NN=Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] 778542855 ZGCZTFBQXKHIMZ-UHFFFAOYSA-N 405.383 0.791 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O 781592627 XTFXGYHZMFHXQX-UHFFFAOYSA-N 423.403 0.347 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1=O 787244613 INQFUGGCSVUUCM-OAHLLOKOSA-N 421.498 0.490 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)n1 788243291 LDMPFKQZIQFTJC-LJQANCHMSA-N 407.540 0.045 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1cc[nH]n1 789977882 ATZCSJTZTKZSQM-QGZVFWFLSA-N 424.461 0.930 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 790265730 VOKGEOJJYHRLTC-UHFFFAOYSA-N 424.928 0.930 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C#N)CC2)c1 797544649 WCMWJQARVGXDFG-JCMHNJIXSA-N 403.464 0.858 30 20 HCED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 802577972 YWIWXYWYRYZBKL-UHFFFAOYSA-N 406.508 0.957 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 802627884 HDNYUDAPHSEWAB-UHFFFAOYSA-N 405.476 0.664 30 20 HCED C#C[C@@H](C)Oc1ccc(COC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 802809152 BPBYZAPXMQYDID-CQSZACIVSA-N 410.430 0.968 30 20 HCED C#CCN=c1nc(N2CC[C@H](C)[S@](=O)CC2)[nH]c(N2CC[C@@H](C)[S@](=O)CC2)n1 804650644 RODWOCDVDRJLHZ-BFUVTETMSA-N 424.596 0.033 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 806760826 OMKDTGZGNHYJCB-LLVKDONJSA-N 407.475 0.284 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C#N 809501127 BDDUKMHNSLZRCN-KRWDZBQOSA-N 400.435 0.033 30 20 HCED COC(=O)c1c(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)n[nH]c1C 810088259 XITGTNDLZSBEMF-UHFFFAOYSA-N 410.481 0.652 30 20 HCED C#Cc1ccccc1CC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 811259645 DTGFMBUSYMPVFN-MOPGFXCFSA-N 419.499 0.948 30 20 HCED CNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cccc(NC(C)=O)c1 914555220 BTKLLSDRGXADOK-HNNXBMFYSA-N 417.491 0.991 30 20 HCED N#C[C@@H](C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NC1CC1 916926770 WCVYCRALUROOAE-KRWDZBQOSA-N 405.476 0.628 30 20 HCED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 918406242 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CC(F)(F)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039720 FRERPUNSAWNALX-GOSISDBHSA-N 402.394 0.212 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCO2)C1 1840049971 UWOSDVSLZAHWIT-JTJFMMGNSA-N 422.522 0.583 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1840065398 GXWREQPQUMRVBT-HXUWFJFHSA-N 421.473 0.506 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840168880 WVOIMNZMYMLLLB-SFHVURJKSA-N 405.411 0.191 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840170326 YXUXLTMWPSQSIR-QFIPXVFZSA-N 413.474 0.659 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1840291847 JAUOTQZLBMRAFQ-OAQYLSRUSA-N 402.495 0.992 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1840294541 KKBSPKVFXBSAAX-UGKGYDQZSA-N 405.539 0.978 30 20 HCED CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840309656 BQAUYMXVLASIQE-PTHHNIJRSA-N 420.506 0.692 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840564029 BJAZFQIKGVAZSY-PKOBYXMFSA-N 401.573 0.737 30 20 HCED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813714 QFGWYFYKXWUTDW-HXUWFJFHSA-N 404.442 0.928 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840851991 ZHMVZTQBRHULJY-NQIIRXRSSA-N 405.495 0.161 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1841300720 RLUNNTFIBBSMGY-OAHLLOKOSA-N 417.466 0.589 30 20 HCED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C[C@H]2C[C@H]21 1841362033 OXYCTNXCGWJHBN-RBSFLKMASA-N 417.462 0.676 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1845484843 JUYQDDKUMXXKEW-UHFFFAOYSA-N 410.405 0.829 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1847068276 ACYGMBNFPBQIIW-HNNXBMFYSA-N 416.482 0.398 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncn(C)n1)C2 1847069984 BYGXUZWAMXFITA-CQSZACIVSA-N 416.482 0.549 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cn2nc(C)sc2n1 1847799933 FPEBJBUDBUUVCV-RCBQFDQVSA-N 401.492 0.882 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CCS(=O)(=O)CC2)c1 1848072037 WDYZSYGMCPGZIC-ROUUACIJSA-N 416.503 0.104 30 20 HCED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 437392049 OZBDAUPJZYHHQE-OAHLLOKOSA-N 421.523 0.569 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 437395698 WBDSMCAMMZJNIU-ILXRZTDVSA-N 404.471 0.466 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 467586855 IEJZEKSFFIJHAZ-UHFFFAOYSA-N 410.356 0.951 30 20 HCED CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(=O)N(C)Cc1nnc2n1CCC2 471011307 JFUZXDRHMNCWAR-AZUAARDMSA-N 401.515 0.605 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1C#N 472159260 SAFLZBBXLQLGMF-LJQANCHMSA-N 412.542 0.415 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1C#N 472198247 BJDYPTMBVBHBQW-UHFFFAOYSA-N 416.463 0.556 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2CCC(O)CC2)C1=O 479964907 MJIUCUMKESCRDV-UHFFFAOYSA-N 414.462 0.236 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 480645026 RALGDJVGOMPJNJ-UHFFFAOYSA-N 406.353 0.522 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480927445 MOXKNOZKPKSWTD-UHFFFAOYSA-N 409.471 0.616 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C#N)s2)c1=O 482551700 IBWQSKMZEPGYLX-UHFFFAOYSA-N 414.512 0.685 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)[C@H](CO)NC(=O)C(C)C)c(C#N)c2N)cc1 485817055 OQQNFYFFCHWJKY-SFHVURJKSA-N 412.494 0.817 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 488959989 HAEYJQRZIMMBLD-KRWDZBQOSA-N 400.483 0.669 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)n(C)c1=O 505923588 WFFWXLAIRUIISR-GFCCVEGCSA-N 420.351 0.834 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCS(=O)CC1 508839652 GVFHQUGDQOVSJC-UHFFFAOYSA-N 409.537 0.950 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 509362588 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0.005 30 20 HCED CS(=O)(=O)[C@H]1CCCCN(CC#CCN2CCCC[C@@H](S(C)(=O)=O)C2)C1 560197353 RJJMXCLTWGTINI-HDICACEKSA-N 404.598 0.788 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C2=O)cc1 565795889 SQSRUQFMHSYBQH-UXHICEINSA-N 423.517 0.862 30 20 HCED COc1cc(CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)ccc1C#N 567205224 YWCOXYNSQKYVFW-UHFFFAOYSA-N 416.415 0.439 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@H]3c3ccccc3)CC2)c1C#N 569162605 VLYUCGBJDQCQRI-RBUKOAKNSA-N 422.489 0.895 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 573633918 LKMALLFWQXQWRO-UHFFFAOYSA-N 424.526 0.303 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)cc1 574708076 UMPCKWQLWWEQQZ-YRPRCUQKSA-N 404.488 0.352 30 20 HCED CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 589398008 ONVOQQFYHCDIGS-CQSZACIVSA-N 409.450 0.842 30 20 HCED C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 603780926 AFTGAFAQFCBUAO-ZDUSSCGKSA-N 421.500 0.998 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 603792862 MGWBJEWSIZEMFO-UHFFFAOYSA-N 414.443 0.270 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)N1CCN(C)CC1 610697061 YSHCVHDWTBBNBN-INIZCTEOSA-N 400.531 0.594 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O 611564622 KRWLXTCWXWOTNX-SJORKVTESA-N 424.461 0.732 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 680942227 RJUGNXUZRPIVDN-LJQANCHMSA-N 417.506 0.158 30 20 HCED Cn1ccnc1[C@](O)(CCNC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)(F)F 726982110 KMPDUTHWAJBVGC-QGZVFWFLSA-N 409.368 0.978 30 20 HCED O=C(CCNS(=O)(=O)/C=C\c1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 731863070 PSGJIKUJZPVBAF-DXMVAZHNSA-N 418.475 0.609 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)N(C)c3ccccc32)CC1 734750399 UTGICKBUXYHPCL-UHFFFAOYSA-N 414.491 0.810 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1 735922747 HPWOYQXVTFYMEV-UHFFFAOYSA-N 414.325 0.895 30 20 HCED 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0.102 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCF)C1=O 797815052 JKGUXTWNZZZGGC-OGAOFSLMSA-N 402.473 0.240 30 20 HCED NC(=O)NC(=O)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 802328827 PRLIKWUJAWFWAJ-UHFFFAOYSA-N 415.431 0.562 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCCN3CCOCC3)CC2)o1 803513611 ZHNFZUPVBRAZGE-UHFFFAOYSA-N 419.482 0.549 30 20 HCED COc1ccc(CNC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1C#N 808470550 VLCCDIHZFPOQDB-USJZOSNVSA-N 422.441 0.106 30 20 HCED CC#CCS(=O)(=O)NC(=O)CN1C(=O)COc2cc(Br)ccc21 810773025 OLQLIJWGHFXMDP-UHFFFAOYSA-N 401.238 0.644 30 20 HCED C[C@@H](CONC(=O)CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C 810817770 NEBCWXBLMFPQGA-LBPRGKRZSA-N 412.468 0.798 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)C1=O 814150726 FEIBCNVPNMQISX-KGLIPLIRSA-N 420.466 0.821 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(OC(=O)N(C)C)CC1 818673744 APFXZOCHUOZEPR-ZDUSSCGKSA-N 408.480 0.914 30 20 HCED 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N#Cc1cn(CCNC(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)c(=O)nc1O 1557600971 OHBMVDXBPLZOIY-UHFFFAOYSA-N 419.323 0.850 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)CC1 1585634480 NRLIJINWNPJJMF-DOTOQJQBSA-N 404.492 0.961 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1616923610 GZBLURRXVOHHMD-HKUYNNGSSA-N 417.558 0.959 30 20 HCED N#C[C@H]1CN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CCN1C1CC1 1656416333 IGKOBOGLNGAGCZ-INIZCTEOSA-N 404.492 0.705 30 20 HCED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n(C)n1 1693403040 QMHYLORSIQRNPG-CYBMUJFWSA-N 406.516 0.719 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCn1cncn1 1706641602 LARUXAZYGSAWOK-UHFFFAOYSA-N 423.481 0.981 30 20 HCED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1744691821 SZZNERGPOWWVLT-UHFFFAOYSA-N 403.512 0.868 30 20 HCED CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CC1 1767101495 RXBVFVUPSLSKCR-QGZVFWFLSA-N 422.537 0.779 30 20 HCED 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C=CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN)NC(=O)OC(C)(C)C 1796784075 CDOOLRWTNOUJEL-UUAJXVIYSA-N 423.558 0.770 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cn3cccnc3n2)c1 1797389016 KFEJYKJLMDARHB-XOIINTDNSA-N 405.418 0.446 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1797709978 PTAUPESDMBHJJN-YYAJDYIMSA-N 407.511 0.162 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744321 BGVCGVFAFNXQPU-YJQQTUGBSA-N 420.510 0.557 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798573683 CDZQPVGATOGLTP-XUMLPFHTSA-N 411.458 0.808 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C[C@H](N)c2cccnc2)C3)c1 1798693916 DRNHHLZGDHDZSG-CLWJZODNSA-N 408.462 0.575 30 20 HCED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799749598 HUMZIXXMDNGYBI-FVCICTRLSA-N 414.853 0.857 30 20 HCED Cc1cn2c(=O)c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](C)S)cnc2s1 1800986039 UPVPOUWMMQFGTD-FMSGJZPZSA-N 422.532 0.586 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1800995753 WVVFWANKCLGUNA-HATOLVCRSA-N 410.518 0.777 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1812392421 QHZFMUKCJIZBQC-ZVZYQTTQSA-N 416.478 0.843 30 20 HCED N#CCc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)cc1 1814825927 AKBDLSNRPCREAT-ZDUSSCGKSA-N 411.491 0.918 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1815197377 NZYLWRNXDRYHSX-IPYPFGDCSA-N 404.471 0.033 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817615273 RYYVHFOCULWOQB-ZIAGYGMSSA-N 402.459 0.662 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3n(n2)CCCO3)n[nH]1 1819091239 REVIIPDBMGYPBW-AWEZNQCLSA-N 412.406 0.783 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1819710018 OMFBKZWMCHTDMH-MFKMUULPSA-N 405.484 0.315 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1824505631 GCIRZGYXTXTOHA-OIISXLGYSA-N 420.510 0.795 30 20 HCED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)n3cnnn3)sc2C1 1826970492 BLUSQFUBFZIBDZ-TUAOUCFPSA-N 405.484 0.894 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCN(C)CC2)CC1 1828440623 VBNOWIUVMWUJSZ-PZJWPPBQSA-N 418.582 0.892 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829814651 VBIHFMRYZOAVMD-JTDSTZFVSA-N 412.508 0.724 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@@H](O)c4ccco4)CCO3)C2)CCC1 1829832692 ZTUJIWPHMRZEBZ-OXJNMPFZSA-N 403.435 0.463 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829954354 VRFBMDNBPLGXPE-SVMVAKDDSA-N 419.522 0.737 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1830634969 QRKFYNDDMAAZQP-GCJKJVERSA-N 419.522 0.737 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(=O)(=O)CC)CCO2)C1 1831341121 IHAVGIPXCQYGNY-QAPCUYQASA-N 402.513 0.090 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1831387205 ZWTYAVHJJFCBMH-XOBRGWDASA-N 423.416 0.468 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1831499629 XTHILNQHWASUHF-UYAOXDASSA-N 422.551 0.820 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831608955 LJVRTSZQCZUZOS-HRAATJIYSA-N 409.527 0.947 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc[nH]n1)CCO2 1831764237 PALBNWIYRDQHKY-LKQKOTCASA-N 401.423 0.192 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(C)no1)CCO2 1832564185 RIRZVWFVNBVLKM-OAQYLSRUSA-N 421.494 0.965 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)OC)CC2)CC1 1833477257 PSARTAJSFPANPT-HNNXBMFYSA-N 410.515 0.505 30 20 HCED Cn1nc(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)cc1O 1834599954 GSNPQKLPLHJDRO-UHFFFAOYSA-N 400.483 0.615 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1835590031 WEELYEUDCBWWBP-IUVQAAGXSA-N 401.573 0.771 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836815050 IWCOEBTZGFWJQC-XIKOKIGWSA-N 405.480 0.346 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCCC3=O)CC2)CC1 1836856858 AASOERHSGZYMPL-QGZVFWFLSA-N 419.522 0.646 30 20 HCED C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837342278 WCCTUYISRSVIEG-IIBYNOLFSA-N 415.446 0.031 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837396935 OYPJQBLXOGQHMC-OXJNMPFZSA-N 404.467 0.120 30 20 HCED CC(C)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527795 WQDLMDRTOHHYSQ-OYPNYCBZSA-N 415.462 0.720 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1838038747 HKABDOJJGMHLKC-KKSFZXQISA-N 420.510 0.644 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CC[C@@H]3CCOC3)CC2)CC1 1838774225 RHBKTNCCRQAEMB-MRXNPFEDSA-N 406.479 0.890 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838950145 FGNPCWROGAMBOU-HXUWFJFHSA-N 410.434 0.071 30 20 HCED CCOC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1839444031 OPCKVHGNQNVTDD-OAQYLSRUSA-N 415.446 0.847 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839474121 LFDWZRVOXNIXGQ-NRFANRHFSA-N 417.462 0.997 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840059779 OVPJHDIWPLAFMH-NRFANRHFSA-N 419.478 0.840 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1840166941 MOYLDGVILJNCLC-NQIIRXRSSA-N 402.495 0.779 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840168315 MYMQFDNLXYIDRM-NRFANRHFSA-N 411.462 0.831 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840439202 WIEHOIZVRIPTLM-WIYYLYMNSA-N 420.510 0.883 30 20 HCED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844266878 MTANIZCZIKDIBN-UHFFFAOYSA-N 406.552 0.372 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cnc(O)nc1O)C2 1846979902 OOXKUXDMFFTATI-UHFFFAOYSA-N 409.402 0.655 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(NC(C)=O)n1 1847262937 NDLQRCLCYSHPFY-IIAQQRLMSA-N 411.462 0.714 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1847828327 POTDUJGFGLUKTA-OFQRWUPVSA-N 405.524 0.786 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)n1 410135382 NIEFNTZVOCMGJH-ZIAGYGMSSA-N 400.505 0.621 30 20 HCED Cc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 410148096 PFMBFKFABVXJKP-DLBZAZTESA-N 422.507 0.376 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(C2CCN(C)CC2)n1 428323232 BJMUPVKHIRZJLN-CQSZACIVSA-N 416.507 1.327 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1S(=O)(=O)N[C@@H]1CCOC1 435021467 QCVCEXYNXCUVRC-GXTWGEPZSA-N 424.479 0.461 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)C1=O 439389631 VOFXODPKFPDWER-KRWDZBQOSA-N 400.483 0.720 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 462616556 NZMJDJZIJDFKPV-MRXNPFEDSA-N 417.491 0.728 30 20 HCED COC(=O)c1cn(C2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)nn1 464217787 URGGLNGXPSIXGA-UHFFFAOYSA-N 405.436 0.971 30 20 HCED N#C[C@@H]1N(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC[C@@]12CCCCO2 468631814 MWKYZIDVTZLIAU-WFXMLNOXSA-N 404.511 0.621 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472157105 OUQNOOBPWBNFET-MRXNPFEDSA-N 402.499 0.524 30 20 HCED COC(=O)c1cccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472189632 KBFAONLHSVCQSM-UHFFFAOYSA-N 403.464 0.898 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 476290939 UPNPKRNWMNUEFT-AWEZNQCLSA-N 421.523 0.877 30 20 HCED Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC(O)(CC#N)C2)c1C 476823348 PLVHRONFWBZZTL-SJORKVTESA-N 421.519 0.531 30 20 HCED N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1C#N 477362511 CEVRWMCSCFMFER-UHFFFAOYSA-N 409.427 0.803 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)n1 477865973 KFSVGJGXTJSOFN-UHFFFAOYSA-N 401.427 0.255 30 20 HCED COC(=O)c1cn(CCNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)nn1 481037791 QBWIWXOUULAPLU-LLVKDONJSA-N 406.424 0.572 30 20 HCED CC(C)(CCC#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 481270096 QBXINEOSKXICHU-UHFFFAOYSA-N 411.484 0.724 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O[C@H]4CCOC4)CC3)CC2)o1 483033098 YBQFCKTUAOQVOV-KRWDZBQOSA-N 403.483 0.773 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)cn1C 484567024 NQMSEMIINBDXPN-UHFFFAOYSA-N 416.463 0.072 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1F 489605793 PHMSDTFXSAWRIL-UHFFFAOYSA-N 414.440 0.522 30 20 HCED C=CCN1CC[C@@H](N(C)[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1=O 500015895 UBDVRPVDDLWKGF-WMLDXEAASA-N 408.524 0.983 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2=O)cc1 504195608 QVGFFCYNDCWPLR-LHXSAFEUSA-N 422.441 0.332 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2c(C)cnn2C)c1=O 505668203 YISGCNNVSGVBBO-CYBMUJFWSA-N 403.508 0.016 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508872889 KTZKHCSFEHFWLB-SJORKVTESA-N 404.515 0.337 30 20 HCED C=CCN(C(=O)NC[C@@H]1CS(=O)(=O)CCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 509105647 ALLSNANGAPOUDG-WMLDXEAASA-N 420.495 0.735 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 511713260 DQHDEXSEJCFNST-CQSZACIVSA-N 408.480 0.682 30 20 HCED CN1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn2)CC1 514333115 QDMAWOPVVNCXGP-UHFFFAOYSA-N 414.491 0.622 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2)c1 520738358 XWNQNGOOSVOSAN-UHFFFAOYSA-N 423.516 0.859 30 20 HCED N#Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n[nH]c1C1CC1 521663051 HRSKPQBLBBEIDR-UHFFFAOYSA-N 414.447 0.532 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1=O 522976071 QBGSVPRAMGTZBF-UHFFFAOYSA-N 414.418 0.003 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 533054724 VRDVTGTXOYIPLN-UHFFFAOYSA-N 416.489 0.968 30 20 HCED CNCCCc1n[nH]c(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1C#N 534790871 YWWKAUSRZUAQCT-UHFFFAOYSA-N 401.452 0.737 30 20 HCED N#Cc1cccc(-c2nnc(CN3C(=O)C(=O)N(CCCN4CCOCC4)C3=O)o2)c1 537429644 UYRFAQANQAAQIX-UHFFFAOYSA-N 424.417 0.621 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 539689769 QRSJGVWPBKBXHK-GFCCVEGCSA-N 406.870 0.667 30 20 HCED COc1cc(N2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)ccc1F 549775642 JWKPRQCPKQMDKJ-UHFFFAOYSA-N 414.441 1.540 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCn4ccnc4C3)C2=O)cc1 554694428 IOPIPCSJIMZJFJ-DLBZAZTESA-N 406.446 0.103 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@H]32)cc1 555541732 STVXYEIXGWLSTG-ZMHZDYMXSA-N 402.472 0.060 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n(C)c1 557474395 LARUQWLCJUSAOT-CQSZACIVSA-N 403.464 0.836 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)C2)nc1 572173978 LBPSXYCOKSBXCG-KRWDZBQOSA-N 423.429 0.826 30 20 HCED C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 572768716 QLRCCJLLYZPWCC-NUJGCVRESA-N 420.535 0.937 30 20 HCED COC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 573039490 SGABLORGGMQADM-DLBZAZTESA-N 412.446 0.187 30 20 HCED Cn1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 575096217 GKYAJAKFHQTCEI-UHFFFAOYSA-N 402.436 0.190 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CO)C2CCCC2)CC1 582151388 VZJBFLNRASEYAD-SFHVURJKSA-N 420.535 0.532 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 588127417 GNITVKPAFXNRRF-HXUWFJFHSA-N 413.522 0.498 30 20 HCED CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(C2CC2)C1 588866492 JMIZMFXLRKRZRY-RTBURBONSA-N 409.490 0.865 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccnn1C 589212947 NUNJUYXDIHFBFK-QGZVFWFLSA-N 409.494 0.891 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1=O 603724413 SYKLUAKMDCLVNS-UHFFFAOYSA-N 413.415 0.921 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ccncc2)c1 610870316 ZCFAQSMPDPQWRL-CQSZACIVSA-N 417.433 0.605 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(N3CCCC3=O)cc2)C1=O 726043373 VQXXFMPDQQVJSC-UHFFFAOYSA-N 413.386 0.516 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 729541114 UPKNPKCPHXBISF-CYBMUJFWSA-N 422.507 0.990 30 20 HCED C=CCCOCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 731715638 KAGLZPVGGLLIRI-GOSISDBHSA-N 418.446 0.633 30 20 HCED COc1ccc(OC)c(CN(CCO)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732467329 UJOLMLSWDBDWDK-VHEBQXMUSA-N 418.450 0.734 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 743889400 OLMMOCPXROHSCG-UHFFFAOYSA-N 402.426 0.199 30 20 HCED CC(=O)N1CC[C@@](C)(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 747082597 BUFMXJXVSSNHLJ-LJQANCHMSA-N 403.439 0.305 30 20 HCED N#Cc1ccc(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 748848152 VNWRIRQFLKBYMJ-CQSZACIVSA-N 403.416 0.450 30 20 HCED CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749778298 RDJAIQNSOPQUSO-LQFHHUIYSA-N 422.507 0.933 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2cccc(S(N)(=O)=O)c2C#N)C1 754993487 MRYWSVQNRNAFQH-CYBMUJFWSA-N 408.480 0.444 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C(=O)N1c1cnn(C)c1 761145126 UZZGUABRFPVFDD-ABAIWWIYSA-N 414.397 0.710 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCn1cc([N+](=O)[O-])ccc1=O 761367551 TXYBLUTZSMYPRW-UHFFFAOYSA-N 406.376 0.038 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(OCC#N)cc1 763038282 IHFSHLRYIYJHBU-CYBMUJFWSA-N 416.459 0.671 30 20 HCED N#C[C@@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)C(=O)N1CCS(=O)(=O)CC1 766872592 IXMFEEJVVVTQDP-LBPRGKRZSA-N 408.386 0.730 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 767681970 ULUGKDSOFJMTDO-SJCJKPOMSA-N 412.427 0.867 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776705425 HNUXWQIPBDRHIU-MNDPQUGUSA-N 415.406 0.688 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 779477624 ADZHWMSOQNYPGE-HHQHTSIZSA-N 422.507 0.714 30 20 HCED N#C[C@@H](C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 781803313 DBHVIKRDHZHGAF-JTQLQIEISA-N 417.346 0.776 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)c1 783455149 NDAQGUFXAJEJLA-UHFFFAOYSA-N 403.402 0.679 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2oc(C(=O)OC)cc2c1)[C@@H]1CCS(=O)(=O)C1 783479610 LGBMIKMRJVODTD-CQSZACIVSA-N 418.427 0.807 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 783479622 FNHMKMRIXSODQS-KRWDZBQOSA-N 419.503 0.106 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)cc1 786754539 YJDCFXKTSTXLBO-UHFFFAOYSA-N 401.448 0.201 30 20 HCED C=CCNC(=O)NC(=O)Cn1cnc2c(c1=O)CCN(C(=O)OC(C)(C)C)CC2 792665879 QOACRODDCYHBPQ-UHFFFAOYSA-N 405.455 0.591 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801284983 KFRWSQFYJKVGHP-INIZCTEOSA-N 411.553 0.663 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cnc(C#N)n1 804620621 RZJVKSWBSQICJA-AWEZNQCLSA-N 415.479 0.563 30 20 HCED C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 805062310 VPEUYZBLCCVNKC-GOEBONIOSA-N 407.515 0.852 30 20 HCED C#C[C@H](NC(=O)C(=O)N(CCCN1CCOCC1)Cc1ccncc1)[C@H]1CCCO1 809314092 YBGISMYZRCWYPX-VQTJNVASSA-N 414.506 0.430 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n1 810457101 AHKGLZKEHNLSLT-NSHDSACASA-N 400.361 0.652 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2S(N)(=O)=O)c1 814349748 WJUGMRQYJWNRLD-UHFFFAOYSA-N 421.500 0.518 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 814550914 XDPZDCDYYWXMNW-SFHVURJKSA-N 418.471 0.763 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCN(O)C1=O 816754213 ZDRJMSPEQDQKFZ-KGLIPLIRSA-N 401.510 0.583 30 20 HCED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 916897134 UOVKFVPPEURFQS-AWEZNQCLSA-N 408.418 0.480 30 20 HCED CC(C)NC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919666921 OTXBOXJOTDSGCR-DZGCQCFKSA-N 419.459 0.857 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 1115994137 RAZRLHSQOSRYGH-CQSZACIVSA-N 409.512 0.108 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(OCC(N)=O)CC2)CC1 1116474273 CEMBGMLSFCSNTD-MRXNPFEDSA-N 405.524 0.423 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](O)CN3CCCC3=O)CC2=O)cc1Cl 1137456527 QTGOMPZYAAQDTN-UKRRQHHQSA-N 404.854 0.664 30 20 HCED N#Cc1cn(CC(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c(=O)nc1O 1142612772 ZUMSWFLXFKFKBG-LBPRGKRZSA-N 421.335 0.457 30 20 HCED CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)nc3)C2)ccn1 1212448000 SJBFGUZOVDMCRJ-OAHLLOKOSA-N 401.448 0.940 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1288525891 RFVGAVUHPGKZNX-KSSFIOAISA-N 404.496 0.552 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1309069650 ZQJIBVUGENXROR-AWEZNQCLSA-N 413.544 0.149 30 20 HCED O=C(Cn1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1)NC1CCCCC1 1319001739 MRHLZATXRIYNGI-ZZEZOPTASA-N 414.466 0.588 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(C(=O)NCCN(C)C)CC3)CC2)o1 1344394578 XCWHCGKPJDJDHF-UHFFFAOYSA-N 416.526 0.988 30 20 HCED Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1361285394 XXBZSSNZZFQTAG-HZPDHXFCSA-N 402.480 0.661 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)CCO1 1521122714 XMRWIARPTUYWHD-AWEZNQCLSA-N 413.438 0.196 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)CCO1 1555994567 XVMIPLWTDGXEEM-AWEZNQCLSA-N 403.468 0.104 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@](O)(CC#N)C3)CC2)cc1 1570694703 HFXHKKRHQGUTLO-LJQANCHMSA-N 406.508 0.178 30 20 HCED N#CCOc1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1627858764 MCFFSHXVXIJXIC-GOSISDBHSA-N 412.421 0.947 30 20 HCED Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCS(C)(=O)=O)n1 1707601172 JMZSDABIXARNLM-INIZCTEOSA-N 415.523 0.870 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1710874972 QBYJKHAPRCARND-MRXNPFEDSA-N 415.523 0.951 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C)(C#N)CC1 1711423907 QZRPWEUSYLDCFC-UHFFFAOYSA-N 403.512 0.943 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1751096456 RJSCABSPTVLWAY-UKRRQHHQSA-N 408.484 0.991 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778004419 FGYDXAXYMYWQHD-BFUOFWGJSA-N 403.439 0.565 30 20 HCED C[C@H](Nc1nccs1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778073819 LVISFOFVFLXTGB-IQUTYRLHSA-N 420.491 0.545 30 20 HCED CC[S@@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1778822172 WIGYBTOPPUCNJS-XDMSUMCESA-N 409.508 0.687 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2Cc3ccccc3O2)C1 1778840223 FHWWNIQZVKITAE-NJNPRVFISA-N 412.442 0.592 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1778967978 OJOSTAIZTDUKHH-MGPUTAFESA-N 422.457 0.799 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065487 TZCBSOMPVHYUJG-VGOFRKELSA-N 417.506 0.206 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)nn1C 1779101270 MBVHEQNRHGYDPK-XCKVFWMBSA-N 419.482 0.701 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1779241216 WVMUHAAWIJBQDC-LAUBAEHRSA-N 409.527 0.960 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779315428 OHVGTUZKJHAHTM-KYFSNAEOSA-N 424.542 0.799 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1780175582 QLYOHONNRMDHAW-HXUWFJFHSA-N 411.418 0.753 30 20 HCED C[C@@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780191605 QVVQMZCNHGOGDA-BFUOFWGJSA-N 404.854 0.790 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1780330688 BUAMLYCQETWVCC-OAQYLSRUSA-N 422.445 0.155 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1781961800 RMWLOKLXSZDHRN-OXJNMPFZSA-N 400.410 0.419 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1782550156 YLOLZXWYKLAGRI-YCRPNKLZSA-N 414.437 0.955 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CO)c(F)c2)C1 1783078205 QXUDQZJXDLPSGQ-DYESRHJHSA-N 418.421 0.534 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783754805 PKMGXEFSFMQFIG-HSZRJFAPSA-N 409.486 0.881 30 20 HCED COc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1783778081 CCEGTGFGNDCWQB-MPGHIAIKSA-N 416.430 0.142 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)cc1 1784031471 RNPYLSYTPIKVFN-CVDCTZTESA-N 424.501 0.847 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1784495121 VQVPTIISAQCDSO-XWSJACJDSA-N 419.526 0.877 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C[C@@H]21 1784504979 XYMZDNUOJVUNNX-LBVZWDRHSA-N 405.539 0.897 30 20 HCED 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N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)ccc21 448409198 CZXNVQGFFNXFOE-WMZOPIPTSA-N 414.462 0.864 30 20 HCED Cc1nsc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cccnc3)CC2)c1C#N 461203311 MZKSFWLXEFOMLU-UHFFFAOYSA-N 420.520 0.688 30 20 HCED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 461343460 ZWBJKIFYNQGCEG-CQSZACIVSA-N 417.462 0.393 30 20 HCED Cc1ccc(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 468586715 OHNZHQTWHXBOTQ-INIZCTEOSA-N 404.423 0.892 30 20 HCED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476315136 PDCSJPJQOUCGHH-ROUUACIJSA-N 418.519 0.978 30 20 HCED CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481211964 TZEZUPHELROTAM-CZUORRHYSA-N 424.548 0.899 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481897841 UUTWNLIWPFMUGO-STQMWFEESA-N 401.510 0.507 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)C2=O)cc1 486621289 RVAWXWYNUUKHHM-IBGZPJMESA-N 424.482 0.924 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 486912490 KAMHDCQKSBMKOI-HNNXBMFYSA-N 410.438 0.161 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)C2=O)cc1 488600991 OAQTWPYMDWJEOC-SFHVURJKSA-N 417.425 0.909 30 20 HCED N#Cc1ncc(OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cn1 488765850 IQVUXEGXDDWLNN-QGZVFWFLSA-N 409.402 0.238 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489461923 YWVWWHGHOPVJSW-LSDHHAIUSA-N 413.565 0.886 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C 503429461 AHRQPYXKQIHYAA-GOSISDBHSA-N 405.543 0.817 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)n1 508001079 MSWJVULJVXZWTL-BUXKBTBVSA-N 415.454 0.427 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1Br 511426820 DBZCTTORYIZTQQ-UHFFFAOYSA-N 413.257 0.849 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCCCN3CCN(CCO)CC3)CC2)c1 512817507 ZMFXZOWWNMYNDF-UHFFFAOYSA-N 415.542 0.175 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 514336782 PHIDUUYYYHHWFL-SFHVURJKSA-N 420.516 0.905 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 521740451 WFRJHVMECRSQDH-UHFFFAOYSA-N 403.508 0.911 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 522284196 RXGBLSSDFOFHGG-UHFFFAOYSA-N 419.528 0.370 30 20 HCED C[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 527505309 TUVINXJPNFHULY-QAPCUYQASA-N 408.499 0.653 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)NC(C)(C)C)CC2)c1C#N 530355949 TXLQGXNJWLUCIW-UHFFFAOYSA-N 411.532 0.150 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1CC(N)=O 531853015 LNGISWYIMGUWJO-UHFFFAOYSA-N 421.482 0.309 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 535283210 GZHDXTZDQXJTQH-UHFFFAOYSA-N 405.451 0.815 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 538079100 KFWNHHVAQCKNFQ-CYBMUJFWSA-N 400.414 0.874 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 539690874 XFWRAXOOXYTLJG-GOSISDBHSA-N 424.505 0.995 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)cn1 547306769 BGTCVZFMVYAWHZ-MRXNPFEDSA-N 407.434 0.691 30 20 HCED CC(=O)NCCN(Cc1ccsc1)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 549279063 DUUZSAOGUKLBOM-UHFFFAOYSA-N 402.480 1.501 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)N(C)c3ccccc3)CC2)c1C#N 550637818 MQZTVODVDZHOOV-INIZCTEOSA-N 423.521 0.890 30 20 HCED C=CCN(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 553102885 LFEAGYSOJDPPDW-INIZCTEOSA-N 413.521 0.696 30 20 HCED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCCn1cnc(C#N)n1 558370371 SBGLWKCFXDTMSG-UHFFFAOYSA-N 407.456 0.620 30 20 HCED Cc1cccc(S(=O)(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)c1C#N 568640442 VTGUSRUBNXQBMF-CQSZACIVSA-N 400.526 0.806 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCSC1 585723079 XFYLPGWZXZVEIU-HXUWFJFHSA-N 416.551 0.592 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC(C#N)C1 590485094 NOHWIFLLFGYPRI-CQSZACIVSA-N 419.912 0.404 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c2)c1 603713175 HJTBIZBINPDXJL-FQEVSTJZSA-N 423.469 0.850 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(=O)N(C)C 604269771 AYLFJZDVHCXDSY-UHFFFAOYSA-N 412.515 0.336 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)n(C)c2n(C)c1=O 604302623 DMRROGUOTYHULC-UHFFFAOYSA-N 420.473 0.800 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@H]2C(N)=O)nc2ccccc2c1=O 610108283 PFDBINOZHMXKQK-AWEZNQCLSA-N 415.475 0.861 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 610805006 MQQUCPHKBPRXON-YJBOKZPZSA-N 403.508 0.917 30 20 HCED N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)ccc1Cl 615315187 HOUVCPVNDHGDHI-INIZCTEOSA-N 405.886 0.673 30 20 HCED Cc1nc([C@H]2COCCN2C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)no1 615412874 GZWFHISBRSIEIK-CQSZACIVSA-N 422.405 0.677 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1 729187212 WALVYZNUUNDWRC-KRWDZBQOSA-N 407.430 0.950 30 20 HCED C#CCOc1cccc(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 731011177 JTVSPINGHSHGNB-UHFFFAOYSA-N 401.400 0.893 30 20 HCED CN(C)CCOc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732444295 KQZAFJIASUTFHD-VHEBQXMUSA-N 401.467 0.953 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1=O 732981706 VFFYMLNPKZZUEO-MRXNPFEDSA-N 419.526 0.376 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 733301191 OKFYBCZDSOMJRZ-MRXNPFEDSA-N 405.480 0.294 30 20 HCED O=C(O)CNC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 746347461 LAEBJVSMVKVHEZ-UHFFFAOYSA-N 416.415 0.178 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 747742162 PDGBXNRZJIZBJX-INIZCTEOSA-N 411.458 0.799 30 20 HCED CC(=NNc1nccn(C)c1=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 748079900 RWCIAIDWKKTWMS-UHFFFAOYSA-N 406.512 0.846 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 749503931 AJOIRSLJKDMNRU-UHFFFAOYSA-N 405.414 0.006 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 750415131 PNCLCYJVQZHVMR-UHFFFAOYSA-N 406.445 0.002 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 751803547 NGOZKWMKPPWLHL-SSDOTTSWSA-N 407.807 0.684 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)ccc1OC 756095037 MFUQEYORMRYJTH-CQSZACIVSA-N 421.479 0.704 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 758646128 VMBZZBICICSEIP-RISCZKNCSA-N 410.452 0.906 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)C2)nn1 761077272 CJHAVFYIBONCMF-CHWSQXEVSA-N 412.406 0.768 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)cc1 762132034 XIQNSLLRPRRDSX-CYBMUJFWSA-N 400.478 0.860 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cnc2n(C)c1=O 762313929 QANBFOFFNCJPAP-QGZVFWFLSA-N 405.414 0.718 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)NC1CCCCC1 763021586 XYXWNIKMYXKVIE-UHFFFAOYSA-N 421.523 0.863 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 766448309 PNIKKYZWTUKPAF-KRWDZBQOSA-N 415.494 0.864 30 20 HCED C[C@@H]1CN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 767676305 AOKMZWYDKHCWHG-MGPQQGTHSA-N 409.464 0.404 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N(CCC#N)CCC#N 767678756 KIAISWQNWQVIRN-CQSZACIVSA-N 417.447 0.424 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 767956530 YZWWFDFDOKWCRJ-UHFFFAOYSA-N 415.494 0.614 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 769198988 KOEWJDPGHHJKGI-UHFFFAOYSA-N 403.420 0.036 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCc2ccccc2[C@H]1C(=O)OC)c1cc[nH]n1 772327897 BFONVHAVSZNNKG-SFHVURJKSA-N 414.418 0.993 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)n(C)c1 781593554 DIVUWOFXUDEWLR-UHFFFAOYSA-N 414.440 0.405 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782540606 MCDPCSKLPFHUQI-UHFFFAOYSA-N 417.403 0.845 30 20 HCED Cn1nc(Br)cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCOC2)c1=O 782784003 QRCZOJAHAAIDDE-JTQLQIEISA-N 420.292 0.469 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C(C)C 783395929 QLXOBCOYAKAHCT-UHFFFAOYSA-N 409.512 0.525 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc2)CC1 783424724 IGTFALLHUPLVMS-OAHLLOKOSA-N 401.467 0.538 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 784923529 SNAQMDCEMSZCKZ-UHFFFAOYSA-N 401.426 0.968 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786994505 CMTZUECZZSARIT-OXJNMPFZSA-N 408.499 0.297 30 20 HCED CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)c1 787779119 VCCQWELGRJDUPR-UHFFFAOYSA-N 415.475 0.342 30 20 HCED CCN1CCN(CC(=O)O[C@H]2CCCN(c3ccc(F)cc3C#N)C2)C(=O)C1=O 789472274 AJSMTLDBIWTXGN-INIZCTEOSA-N 402.426 0.900 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccnn2Cc2ccccn2)n1 789788961 XKJPNVFBGALPRR-UHFFFAOYSA-N 421.461 0.770 30 20 HCED C#CCn1cc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 791264565 NXZSTNPVJBRBJX-UHFFFAOYSA-N 418.475 0.662 30 20 HCED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NS(=O)(=O)CC1(C#N)CC1 793201420 LSCCLOPFAMFLCS-UHFFFAOYSA-N 414.509 0.563 30 20 HCED CO[C@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 795827939 IWVNDJWFWJWZGD-SFHVURJKSA-N 421.475 0.359 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c2C1 796935293 WIEIMUOYNYGSQB-HNNXBMFYSA-N 415.475 0.713 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)c1 804052651 DNYUODQVCZQDGP-FXAWDEMLSA-N 412.490 0.907 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 807300118 ZNJITPCHNGZHFQ-UONOGXRCSA-N 408.480 0.798 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 807375852 IHACLHFORPFLKP-UONOGXRCSA-N 408.480 0.846 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc2c(C)nn(C)c2s1 807979288 PIQBSJXKUFMHEU-UHFFFAOYSA-N 410.481 0.043 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1 810776599 ZTIBCEWDLYFOGZ-AWEZNQCLSA-N 413.477 0.916 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 852018071 JSZSXPFHJMBCSF-AWEZNQCLSA-N 423.491 0.128 30 20 HCED CCOC(=O)C1=C(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)NC(=O)N[C@H]1C 916606457 CELNGMWDAHLXCJ-PRWKNARSSA-N 411.418 0.844 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)COc2ccc(S(N)(=O)=O)cc2)c1 917223479 RIXXAFJBODYZGS-UHFFFAOYSA-N 401.444 0.791 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1116178942 WPCIDTMXXJIAJN-OAQYLSRUSA-N 423.477 0.987 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1251746366 JMQOSBJAMKHADF-BMRADRMJSA-N 408.436 0.125 30 20 HCED Cc1nnc(N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)c(C(N)=O)c1C 1253011561 HCCULPTULOQBDS-UHFFFAOYSA-N 407.430 0.621 30 20 HCED CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CCC1 1316337060 RFALAJTVJLXUGE-UHFFFAOYSA-N 414.491 0.720 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1328390429 WIPOEKPMSUILAP-UHFFFAOYSA-N 418.519 0.991 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n1 1339534652 CPHHFGPESIXVNY-OAHLLOKOSA-N 405.480 0.030 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)C1 1360781031 QDUDFVIODFDUJD-KRWDZBQOSA-N 409.516 0.193 30 20 HCED CN1CCN(CCCS(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1462759734 MBLTZFMQFITWJG-UHFFFAOYSA-N 422.555 0.513 30 20 HCED CCc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1499264302 SVEIXTGSOKCPEB-DGCLKSJQSA-N 423.499 0.524 30 20 HCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1545263440 UCNKHVBZMVOOLF-LUXYFRNMSA-N 411.528 0.706 30 20 HCED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1548175782 VILVUPFCRJMYPC-CQSZACIVSA-N 413.486 0.280 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1=O 1554364006 WBHJZGZLXKYCQL-FQEVSTJZSA-N 412.450 0.159 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(nnc2C(F)F)C1 1556430091 OIDIGQBSUKQXAW-JTQLQIEISA-N 410.406 0.797 30 20 HCED C[C@H](CC(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 1583926843 OYUBDTUOVGUFQY-NFAWXSAZSA-N 404.492 0.631 30 20 HCED 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N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4ncccn4)CCO3)C2)CC1 1836112499 FYKQQNRZAJALAB-LJQANCHMSA-N 417.491 0.329 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836359072 NRKQIJASYNSIJO-OKZBNKHCSA-N 412.600 0.235 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)cc1 1836488226 IEQIZJKIZVSRGB-OAQYLSRUSA-N 409.446 0.594 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837395235 UQEPAOPPZVCSSG-UWJYYQICSA-N 403.479 0.725 30 20 HCED Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440928 HJXIVCJXHLCVTR-XACCNFBGSA-N 419.482 0.525 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]cc4c3CCC4)CCO2)C1 1838449977 XLGUONHDPROHIX-ZHRRBRCNSA-N 415.490 0.612 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)=O)C3)C2)c1 1838581007 ZTDSNWMIVCTYSX-FQEVSTJZSA-N 401.419 0.226 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838683884 DFAPKXPDJSCVKN-DNVCBOLYSA-N 407.471 0.589 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905882 DOIKCWMWRIASQC-RXVVDRJESA-N 400.479 0.626 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571401 SAWRBMIHJLRNSH-AUUYWEPGSA-N 404.492 0.723 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3Cl)C2)C1 1839808328 YPDDKSLELSSDMS-LJQANCHMSA-N 402.838 0.871 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839888061 YREJNDBMGPGNLH-GOSISDBHSA-N 412.437 0.859 30 20 HCED COc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840157757 ZOMAXQPFSYLKQG-YWZLYKJASA-N 424.519 0.849 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1840161462 PYLHIZOTBKMDNC-ACJLOTCBSA-N 405.480 0.118 30 20 HCED CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1 1840162483 YIRCMSISKLUBBZ-FZKQIMNGSA-N 410.496 0.264 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840211179 XDVPMXLQKUTFAC-YCRPNKLZSA-N 419.453 0.731 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840800691 OMBJUMAHAZNYGB-JOCHJYFZSA-N 415.490 0.839 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845181929 FYELXEDNDKMHBK-CABCVRRESA-N 406.483 0.241 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1845187534 OKZSKJZNUIIRJZ-CQSZACIVSA-N 400.497 0.380 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CSc1ccccc1[N+](=O)[O-])C2 1846196932 DSANGGZOUSGEQX-UHFFFAOYSA-N 403.416 0.978 30 20 HCED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 26209265 DJIWOCJDAUOCKB-CYBMUJFWSA-N 414.325 0.893 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)c1 53744805 FYCXJYADECRMBR-UHFFFAOYSA-N 402.451 0.612 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 55217562 XPWHRVAAFIZLGL-KRWDZBQOSA-N 407.492 0.614 30 20 HCED C[C@@H](C(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 302748274 CFPWYWOIICYZHG-LBPRGKRZSA-N 404.414 0.932 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 426162966 ULXUSARYZVPSEK-CABCVRRESA-N 403.449 0.679 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)C1=O 440269433 OXRYJZKNWVXSAR-INIZCTEOSA-N 402.451 0.304 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC 441204948 VIHMZOJRZUURGU-AWEZNQCLSA-N 404.423 0.325 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCSC 443556156 YTOUVZWEFJURHX-UHFFFAOYSA-N 418.544 0.242 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 446486061 TZGOFRXLMDDFMG-ZDUSSCGKSA-N 413.521 0.651 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCCn1ccnc1C 460685760 SSVXCPOPSWIPGG-UHFFFAOYSA-N 406.450 1.440 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3C[C@H]4CC[C@H]3C4)CC2)cc1 462446086 OVRDVBAFGVAGCA-HOTGVXAUSA-N 410.521 0.594 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463772223 ZUFJWEQTZQFRKD-LPHOPBHVSA-N 400.479 0.654 30 20 HCED C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 465144176 DYOUWBFTVJSPST-HNNXBMFYSA-N 409.508 0.848 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)cc1 474133809 GVLSCSQKDVBYDD-GOSISDBHSA-N 412.471 0.899 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 480503996 UCHSBKSFVYJLFB-GFCCVEGCSA-N 416.463 0.339 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 482203118 BSVLYFRQCTZZOA-NUEKZKHPSA-N 406.508 0.988 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1F 489249881 HZSWIJJPCFPBGV-CYBMUJFWSA-N 405.473 0.464 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 498687153 SLYYUAWBWISDAC-ZIAGYGMSSA-N 404.492 0.928 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)C1=O 499487319 RZQNJBFPQCPUCA-UHFFFAOYSA-N 409.420 0.022 30 20 HCED Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 502051865 NCHGHBBLARARTO-UHFFFAOYSA-N 405.483 0.723 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 523246417 SVFVUNZSXBYAHR-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1 542291343 WLHKCYOOJBDHJT-UHFFFAOYSA-N 412.450 0.589 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CCC[C@@H](C(N)=O)C2)cc1N1CCC[C@@H](C(N)=O)C1 550341767 OTDZAZXCUHHBIN-CHWSQXEVSA-N 400.439 0.870 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1 550485808 HEJUISSNOGGKAV-AWEZNQCLSA-N 406.458 0.458 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 551727625 QRXDDLOGFTVEKW-INIZCTEOSA-N 422.445 1.386 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@H](C)O1 552703132 KKBJKQWUEZPZBD-KBPBESRZSA-N 404.515 1.452 30 20 HCED C[C@H](O)CN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](C)CO 553807138 AGFVMFYEJFVGMV-OFQRWUPVSA-N 406.458 0.373 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCCS(=O)(=O)C3)C2=O)cc1 557998475 WTJBDVXZXSCORL-IRXDYDNUSA-N 404.492 0.783 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)nc(N2CCCC2)n1 560138414 PNKIEFKFVTZIJT-UHFFFAOYSA-N 410.482 1.463 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 568815846 CBAFXPIJGACUHY-UHFFFAOYSA-N 420.433 0.531 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 578069953 XDYNXNIADGELTN-HOTGVXAUSA-N 408.480 0.926 30 20 HCED COC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 579747600 VJEOBERCPZDAGC-JKSUJKDBSA-N 404.442 0.656 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2n1 580650846 SZTJWPGJOBDNCA-KRWDZBQOSA-N 417.429 0.765 30 20 HCED CCCCNC(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 604531265 WADZZIBFVBZWHW-INIZCTEOSA-N 424.548 0.997 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ccncc3)CC2)cn1 613093777 JUXPOJLLROUWRI-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2CCCC2=O)CC1 614915415 RWOKSZJAEGSSDL-UHFFFAOYSA-N 419.507 0.587 30 20 HCED N#CCn1c(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc2ccccc21 615931224 BSRXBSLHFCZMEK-ROUUACIJSA-N 402.476 0.081 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN([C@@H]4CCC[C@@H]4O)CC3)C2=O)cc1 617055608 JEVNKCFQOQCTPR-ZCNNSNEGSA-N 411.506 0.900 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)C1=O 623225918 HKEAQEZNAJTKJY-UHFFFAOYSA-N 418.494 0.995 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1 645624622 ZXOJUGJEPSCTAV-YOEHRIQHSA-N 406.508 0.594 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2)CC1 728534376 KGPZVIRRHJJGMM-SFHVURJKSA-N 416.547 0.432 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(CC)Cc2ccc(OC)c(OC)c2)CC1 728573873 YUYBRKHBDYMBOC-UHFFFAOYSA-N 416.522 0.419 30 20 HCED Cc1ccc(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C 731862971 NQXFZAPSZXXWNB-VHEBQXMUSA-N 420.491 0.614 30 20 HCED CCNS(=O)(=O)c1ccc(C)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731863484 XIAVEYCLJRIWLO-FBMGVBCBSA-N 406.464 0.549 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CN(Cc2ccccc2)CCO1 732439449 KWIREQAVLKKVGF-NRTINQSCSA-N 413.478 0.713 30 20 HCED N#Cc1cccnc1NCCOC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 732504295 QJBCYVCUFCTGMR-ZDUSSCGKSA-N 405.436 0.074 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CC=CC2)CC1 741043722 CBLBSBHQQJTHTE-UHFFFAOYSA-N 403.460 0.901 30 20 HCED COCc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1 743728365 OPKAYHCMRPEETI-UHFFFAOYSA-N 403.485 0.127 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 744024452 XMAQGCNJVJIFDP-HNNXBMFYSA-N 409.464 0.024 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 744089604 YOQSPXQRUFJCGT-SRABZTEZSA-N 417.443 0.057 30 20 HCED N#C[C@H](C(=O)c1ccc(OC2CCOCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 744129886 FDPBBAZHSXSMNT-QGZVFWFLSA-N 406.460 0.824 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 745270591 CMARERPWVNUSGS-SNVBAGLBSA-N 407.452 0.617 30 20 HCED O=C(NCCCN1C(=O)COc2ccccc21)NCCN/C(O)=C1/N=CC=CC1=O 745813718 QODUSUXTNTVZKU-HNENSFHCSA-N 413.434 0.628 30 20 HCED Cn1c(=O)c2cc(C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 746941815 IDNPBELFCKXJCN-INIZCTEOSA-N 419.397 0.466 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)ccc1F 750516011 KTXZZVDJWZDOOX-LBPRGKRZSA-N 405.473 0.054 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)cc1C#N 752391509 NZZHRWMWQBULDB-UHFFFAOYSA-N 416.438 0.891 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)cc1C#N 752411266 PJHRUNDRKBHQLB-CYBMUJFWSA-N 408.436 0.759 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 753690953 NJEDWXDKQJACFK-DZGCQCFKSA-N 411.505 0.293 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)C2)nn1 761077274 CJHAVFYIBONCMF-QWHCGFSZSA-N 412.406 0.768 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNc1nccc(N2CCOCC2)n1 762603890 RVPBFYGPQZJASM-OAHLLOKOSA-N 419.511 0.932 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCOCC 763433944 GTUBBSSAUBITFD-UHFFFAOYSA-N 400.504 0.480 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)CN2C(=O)c3ccccc3C2=O)cc1 767322731 QDRYOJIBCMMYSG-UHFFFAOYSA-N 405.366 0.697 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 767678209 XAJWZFJCHYBWNS-NWDGAFQWSA-N 424.479 0.781 30 20 HCED COC(=O)C[C@@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 768548577 WUZHWSJTQBNAIN-SFHVURJKSA-N 409.464 0.344 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 773944483 JPWWUJXOMUTIGH-CQSZACIVSA-N 404.442 0.905 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CC1 775694547 LGWSEHFBOKFDSV-UHFFFAOYSA-N 406.430 0.647 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 776648261 APIYNLRWCLZFDG-INIZCTEOSA-N 406.527 0.773 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(NC(C)=O)ccc1Cl)[C@H]1CCS(=O)(=O)C1 783480479 QVIQWJIQEKMFED-ZDUSSCGKSA-N 411.867 0.886 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OCC)cc1C#N 785056957 DINASPITNUBQCO-GOSISDBHSA-N 406.395 0.495 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 793232635 LKTUYSJDHQLSSN-FQEVSTJZSA-N 412.446 0.604 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C)cn2)c1=O 794580318 AFTWJJPIYMTBLV-HNNXBMFYSA-N 413.499 0.758 30 20 HCED C#CCN=c1nc(N2CC[C@H](N3CC=CC3)C2)[nH]c(N2CC[C@@H](N3CC=CC3)C2)n1 804505716 ISTJXQFYUWGRDI-KDURUIRLSA-N 406.538 0.240 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)ccc1F 806946757 PKMWBOFLXANTIP-UHFFFAOYSA-N 420.422 0.869 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)nc1 808346385 UOKNOOSFOXJNSA-MSOLQXFVSA-N 414.510 0.365 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CCCO1 809305515 FCNOUWLCZBEIIL-MJGOQNOKSA-N 401.438 0.974 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)[C@@H]1CCCO1 809309588 GLJVUWQZXPJIFD-OALUTQOASA-N 413.474 0.553 30 20 HCED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 811523554 DQFPXOCSWVSPMZ-OAHLLOKOSA-N 419.381 0.791 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(N(C)C)n3C)cc2)CC1 811640863 CSSYPLJULOFEHN-UHFFFAOYSA-N 405.528 0.868 30 20 HCED Cc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nnn1-c1ccn(C)n1 816099068 ISNGAOXTZUJQPP-CHWSQXEVSA-N 400.443 0.798 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 916713278 UTWJPRDCHOEUPA-PETKRDDUSA-N 414.509 0.808 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 916931354 QTCNUBQSAXBUEQ-GFCCVEGCSA-N 424.417 0.180 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)N2CCN(C)CC2)ccc1F 917954144 HSAGBZOKAUDWMD-UHFFFAOYSA-N 412.487 0.136 30 20 HCED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4cccc(OCC#N)c4)CC3)ncnc21 918404339 YKHDZHGIBAYTGN-UHFFFAOYSA-N 420.433 0.553 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 918617282 YJWNPCITFCOHLM-UYRXBGFRSA-N 407.412 0.638 30 20 HCED CC(C)(C#N)CS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1184955570 OACWEOABGMHJDM-HNNXBMFYSA-N 407.558 0.077 30 20 HCED C=CCN(CC=C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 1221704927 LBLAOGSBLHQSJM-WVXKDWSHSA-N 403.523 0.771 30 20 HCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1301014298 XOFPZUSRZAWJCK-UHFFFAOYSA-N 409.922 0.525 30 20 HCED CC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1359365700 JTZVIIDZHKIQCJ-HNAYVOBHSA-N 403.462 0.930 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1360287357 JPEQZEUNNSFWJI-MRXNPFEDSA-N 408.466 0.555 30 20 HCED N#Cc1cn(CC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c(=O)nc1O 1442212482 NYNUZWAJOVRFPC-UHFFFAOYSA-N 415.837 0.849 30 20 HCED CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1=O 1515781359 JDPRJWKDMFVYTO-ZIAGYGMSSA-N 421.527 0.714 30 20 HCED CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1517022849 JFDHISRICQNREP-CJNGLKHVSA-N 400.480 0.853 30 20 HCED Cn1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(O)nc1=O 1561530995 UBKZUNMFICQKGU-AWEZNQCLSA-N 423.882 0.710 30 20 HCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1593908599 NKEMJDUNVCSMQJ-ZDUSSCGKSA-N 416.935 0.671 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)n1 1612479571 XKCODCLTXSDOLY-HNNXBMFYSA-N 414.514 0.985 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1619913147 VMJQIJDYTBXWNQ-HNNXBMFYSA-N 412.516 0.387 30 20 HCED CS(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 1651999144 TTXAZMVTBLEVKL-SFHVURJKSA-N 414.487 0.661 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1671110016 PVHKHVWFGGOMJT-UHFFFAOYSA-N 421.461 0.865 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1696889480 YXRSVNLAYZKERP-BDJLRTHQSA-N 415.495 0.102 30 20 HCED CC(=O)N1CCN(CCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1706006126 YSPMSMGVDLRTHR-ROUUACIJSA-N 417.514 0.413 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCC1 1706870814 ITRKHVOMCCEOLE-BBRMVZONSA-N 413.523 0.815 30 20 HCED 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30 20 HCED C=CC[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OC(C)(C)C 1799683647 IUFMCFICQKPHGK-KSXIZUIISA-N 411.499 0.631 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C2 1800455874 UXUBAEQBZSEIJB-VASXEIHQSA-N 414.458 0.948 30 20 HCED N#Cc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCNC(=O)C2)cc1 1801064294 YBBSBIJTOQUXGB-UGNRZPKXSA-N 410.474 0.217 30 20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CN(C(=O)OC(C)(C)C)C1)C2 1802021610 PKYAGHGRRVIXMG-ALXJQNPVSA-N 405.495 0.856 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)CCN(C)C)[C@@H]1c1cccnc1 1802479810 BUBXEAPFCOUSGA-HGHFLKBRSA-N 413.522 0.898 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1803597180 ACHMIEAHGXEYPU-MVJTYMMSSA-N 421.567 0.635 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1806617618 SCZKNEFQIARKMZ-UGKGYDQZSA-N 415.457 0.826 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)COCCOC)[C@@H]1c1cccnc1 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1831216214 ZNLQQOXLXFCCKB-QRWLVFNGSA-N 418.519 0.813 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1831386154 ADRSLHTYMDMCKE-FZKQIMNGSA-N 411.842 0.436 30 20 HCED Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn1 1831486218 UWDVIQHTLNOEEU-QFBILLFUSA-N 408.524 0.809 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832165610 APAFJWZCJZGRMQ-LEWSCRJBSA-N 400.419 0.074 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833449593 YFLLBTIDBJIOQP-HXUWFJFHSA-N 404.467 0.302 30 20 HCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1834376422 JYYHCIHSBOPUBG-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1834398287 MFHMMGMIXOUPMR-WBMJQRKESA-N 420.539 0.274 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)c3ccccc3)CCO2)C1 1835293572 LIJQORZAFPYBTH-DYESRHJHSA-N 401.463 0.726 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348063 NSKINNGBLCEPBT-YWZLYKJASA-N 401.467 0.513 30 20 HCED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835386390 ITAHTCMARPFACA-JLDPKJTDSA-N 406.483 0.107 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835609724 XDESVJHVCHCETC-LPHOPBHVSA-N 401.573 0.785 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3ON=C(c4ccccc4)O3)CC2)CC1 1835677531 XWXJEVANWLKQMX-QFIPXVFZSA-N 410.474 0.926 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3sc(N)nc3c1)CCO2 1835786080 YWJSZRWMQPKVHO-IBGZPJMESA-N 415.475 0.862 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 1836095797 ZAFDQFLRBJSXLM-OXQOHEQNSA-N 406.504 0.785 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837391716 UNVLXANNSJBOPA-FIKGOQFSSA-N 410.511 0.585 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3)C2)C1 1837529551 VJBLQYYILLGGBP-VBFVGENYSA-N 422.438 0.274 30 20 HCED CC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837561561 UMTCSMVPLKHVSE-XACCNFBGSA-N 405.451 0.524 30 20 HCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1)C(=O)O 1837886486 GTSWHHNSPFJNHO-SWLSCSKDSA-N 401.529 0.366 30 20 HCED CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838392287 SBQGGKDMDMMKJG-XQNSMLJCSA-N 421.542 0.593 30 20 HCED Cc1nc(C)c(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)o1 1838470511 ZCOXZNXWBRIDHL-UHFFFAOYSA-N 403.435 0.992 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838510255 RFTGFXKFVBBHNF-SFHVURJKSA-N 416.463 0.460 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493882 VPTZXJYZYMIOPT-ORAYPTAESA-N 404.492 0.951 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnc(F)c4)C3)C2)CCC1 1840812499 VFOOQQHPKOJASW-FQEVSTJZSA-N 402.426 0.985 30 20 HCED O=C(CN1C(=O)CNC1=O)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841261958 ZFGXWIDGEWKUBX-UHFFFAOYSA-N 414.849 0.447 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844222519 AYTPMCLCIJFAFT-CYBMUJFWSA-N 419.482 0.535 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 409504558 ZILHEIQSFWNGAP-SNVBAGLBSA-N 414.962 0.996 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 409508827 UFMMDUXNVKNPRM-LBPRGKRZSA-N 404.489 0.791 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)N2CCOCC2)C(C)C)c1 438410042 RJJWFFCMBYKLFD-KRWDZBQOSA-N 409.508 0.764 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 439470821 DYZODPCBDQKOGH-GHTZIAJQSA-N 408.543 0.970 30 20 HCED N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1O 442864363 CSWZUVCMHKFWBV-UHFFFAOYSA-N 400.416 0.637 30 20 HCED N#Cc1cc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc2ccc([N+](=O)[O-])cc12 443423543 CGMZRNHTDKAHHY-UHFFFAOYSA-N 422.401 0.812 30 20 HCED Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N)c1C#N 444362091 ZYWCEMDIEYJLJW-UHFFFAOYSA-N 404.452 0.305 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)N2CCc3ccccc32)cn1 460615090 PYUQIEZARCJMBZ-UHFFFAOYSA-N 415.413 0.783 30 20 HCED CCOC(=O)CC1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460621033 RLSODIQZIXXXCK-UHFFFAOYSA-N 424.461 1.578 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1 461473455 TWPZHFWONFJSFJ-AWEZNQCLSA-N 412.537 0.734 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462096855 GWGBVHFIKOYHOE-HIFRSBDPSA-N 403.468 0.978 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 464858195 LXTQRXFSDQCCBW-CYBMUJFWSA-N 423.433 0.936 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)cc1 471096654 WSQVEHUWUVWPAG-UHFFFAOYSA-N 402.451 0.248 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 472248801 YIHBVXPCDJVTHH-DFEHZGFQSA-N 408.462 0.056 30 20 HCED CC1(C#N)CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)C1 482646554 HIYJBDMXCWAZSG-UHFFFAOYSA-N 416.459 0.947 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C(N)=O 488662388 BEXRHXQBMRAZOD-GOSISDBHSA-N 419.441 0.821 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)ccc1F 500212082 VZAOLZWKVKTGCU-UHFFFAOYSA-N 413.475 0.366 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)nn1CCC#N 505005479 ISHKBDFPUSNIBO-NRFANRHFSA-N 410.478 0.797 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)no2)CC1 508939159 QVVXXHWVEMBBMW-CQSZACIVSA-N 409.516 0.693 30 20 HCED C=CCc1cc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc(OC)c1O 509383936 CPWWWWSSZHWAFW-UHFFFAOYSA-N 424.567 0.739 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)c(Cl)c1 514441113 XECXCMLEGATILK-UHFFFAOYSA-N 419.913 0.699 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 516549006 HSRAOULSBGFSFC-OAHLLOKOSA-N 411.505 0.694 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)C1=O 517083232 YGEUSNUIVUFWPT-UHFFFAOYSA-N 408.436 0.754 30 20 HCED Cc1oc(NC(=O)[C@H](C)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C#N)c1C 533057376 LQSGRNNIFFXOIQ-MAZHCROVSA-N 410.496 0.183 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)n1 538075166 COOGUHRXVZHASF-UHFFFAOYSA-N 418.479 0.543 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 538600898 AZWWLBXRKZFXIT-UHFFFAOYSA-N 407.492 0.708 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 543620234 YATRCDWVDODBHA-HNNXBMFYSA-N 401.510 0.344 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1C#N 551043150 MTGRQOHXRWGJCR-OAHLLOKOSA-N 408.480 0.776 30 20 HCED COc1ccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 565921860 JJCRRTPCYZMEKO-UHFFFAOYSA-N 416.459 0.391 30 20 HCED CN(C)Cc1nc(C(C)(C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 568377513 CKTFATBGOGCYGC-UHFFFAOYSA-N 406.468 0.333 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1=CCN(C)CC1 568805690 CNMLRFWCDZFORM-KXBFYZLASA-N 409.490 0.542 30 20 HCED C=CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 573497378 XSSGBRGCMHOWLP-LBPRGKRZSA-N 400.457 0.747 30 20 HCED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 575791763 HKBVEVKSKPIQKN-KRWDZBQOSA-N 401.444 0.910 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2ccnc(-n3cccn3)c2)n1 577169342 VYZXKXFSXIYWEF-UHFFFAOYSA-N 413.401 0.975 30 20 HCED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 582576865 DOGLJYNXLXZDER-LPHOPBHVSA-N 419.551 0.321 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 582981118 YDODNRCEYDKFGH-UHFFFAOYSA-N 411.549 0.945 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1C 589157733 MPUHDANYHPWJGP-UHFFFAOYSA-N 413.499 0.830 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 610804358 CODACIPXOAWGHJ-SJLPKXTDSA-N 420.535 0.938 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C)C(C)=O)cc2)CC1 674194487 WEDDEJYDHZRHAF-UHFFFAOYSA-N 401.467 0.054 30 20 HCED C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 732956466 IGCKWEOTWUCNDJ-GOSISDBHSA-N 420.491 0.915 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2sc(C)nc2C)c1=O 736586408 YBDVAHXCHPWUDZ-UHFFFAOYSA-N 420.560 0.905 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCNc1nccc(C(F)(F)F)n1 739004916 RHNOUTPAKPCHMQ-SEYXRHQNSA-N 413.360 0.733 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 747973708 XJPAPACZIDVSBA-UHFFFAOYSA-N 408.480 0.862 30 20 HCED CC[C@H](C)[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NCCN1CCOCC1 762215262 WFJDNKQIXFDRSF-HRAATJIYSA-N 415.490 0.746 30 20 HCED C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)C(=O)N1CCCCC1 762727078 PWNBESZSPQHKCO-SZNDQCEHSA-N 411.462 0.842 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CCO)C1CCOCC1 764405923 YOIYFTOIMZYXKR-MRXNPFEDSA-N 409.508 0.799 30 20 HCED C#C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 767257966 OJBYVWYCRWQIOJ-INIZCTEOSA-N 421.519 0.638 30 20 HCED COC(=O)C[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 771654072 VSEDXIHLVPQASZ-LJQANCHMSA-N 423.491 0.734 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1)[C@H]1CCCO1 773791944 SCYAETFRAYEIIO-DOTOQJQBSA-N 415.446 0.160 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C)OCCO2)cc1 774399609 QBRYAZWGXBPQPK-RCCKNPSSSA-N 424.479 0.317 30 20 HCED C#C[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)[C@H]1CCCO1 776160674 DLKRFOGBWLBRDN-IAGOWNOFSA-N 408.476 0.754 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)cs1 780646061 XNHSUNUYRYOLQT-UHFFFAOYSA-N 406.493 0.934 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)c1 784772064 FCNLNBFILKKLFF-QJIFYWSCSA-N 424.523 0.961 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 785979575 IIEPMODSOLXVDW-UHFFFAOYSA-N 416.445 0.499 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)[C@@H]1CCCO1 787497846 ASVAZVQPTOSNST-SFTDATJTSA-N 412.534 0.737 30 20 HCED CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCCNc1ncccc1C#N 787778332 PDIQWRLHDOALBI-UHFFFAOYSA-N 422.489 0.977 30 20 HCED C[C@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCC1 789114742 PLSQFFLESKWQFP-YVEFUNNKSA-N 406.439 0.096 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n1 789793392 IWGWBVSXMQAQQV-UHFFFAOYSA-N 423.473 0.976 30 20 HCED COc1ncccc1C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 791472119 BTXLWLXBCZHUOM-UHFFFAOYSA-N 403.416 0.945 30 20 HCED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 802579790 GWKRAVRATCMGQF-CYBMUJFWSA-N 401.858 0.717 30 20 HCED C#C[C@H](NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21)[C@H]1CCCO1 806985299 AQFXISXCSZNXNF-JHDROBOHSA-N 411.458 0.319 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CSc2nnnn2CC(F)(F)F)c1 813983320 QBRALBKNDXFYOD-UHFFFAOYSA-N 407.359 0.099 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCc1nnc(S)n1C 815833546 SKPQIXBNEGHLFX-UHFFFAOYSA-N 418.479 0.688 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCOC2)cc1 918465429 MGDQJEPYFJIICO-KTNMXJNISA-N 422.507 0.981 30 20 HCED Cc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2)cc1S(=O)(=O)NCC#N 1116083500 JRYYFKKOTJDHEL-OAHLLOKOSA-N 402.480 0.539 30 20 HCED CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 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30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1521155219 RRWFWWZVRAGLAT-JKSUJKDBSA-N 409.512 0.726 30 20 HCED COC(=O)NC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1557656584 NKSKGOHCYPPIRG-GFCCVEGCSA-N 408.480 0.851 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@](O)(C(N)=O)c3ccccc3)CC2)cc1 1559640394 UJVQOBPKAXXKTA-FQEVSTJZSA-N 414.487 0.238 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1616213607 KCBRGKMMQCBTFO-RTBURBONSA-N 406.462 0.898 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1635104221 JDZYYSHBHMGEMC-GFCCVEGCSA-N 414.340 0.492 30 20 HCED COCCN(C)CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1698027085 JKQBWLAJDPAKRA-IBGZPJMESA-N 407.494 0.811 30 20 HCED CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1=O 1741560595 MARDONYTQNFSGT-UHFFFAOYSA-N 420.481 0.693 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1765880303 QEGRXNBTUUXBRH-GUDVDZBRSA-N 408.478 0.439 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nccn4c3)C2)C1 1778012415 YEYJFMSWBXCTMJ-QJKPHDSHSA-N 423.473 0.636 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778553979 NGWUAFNQMBEENM-QRWLVFNGSA-N 402.451 0.147 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1778885395 DPJDEHGIXUCBKS-UWJYYQICSA-N 400.479 0.842 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779098248 DVIHTYSGVGMSJH-HUPWQOHGSA-N 424.498 0.260 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1779100395 CANQWCIEIBDDDW-CFFCXZSUSA-N 419.482 0.701 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1779104578 MIRIJCYFSQHTJV-KAMIESOKSA-N 419.482 0.550 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCCS3(=O)=O)CCO2)C1 1781397965 HRQKGOOMUFZLKP-RVKKMQEKSA-N 415.512 0.194 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)Cn5nccn5)CCO4)C3)c2c1 1782199679 VEOISBWXYIRIKP-HXUWFJFHSA-N 420.433 0.170 30 20 HCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)cc1 1783440813 AIZODBFMHVKQLC-HAGHYFMRSA-N 424.501 0.749 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783517063 POALNSSDWXOWOQ-QEEYODRMSA-N 411.499 0.667 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CSc1ccc(F)cc1F)CCO2 1783558647 UUCDVBAPHDMSFU-IBGZPJMESA-N 424.425 0.975 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784140994 HRYIZAPOJUMSDH-MYKUNDNFSA-N 406.527 0.649 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C)c3=O)[C@H]2C1 1784730834 CVDGZUGGWHPTPR-XIRDDKMYSA-N 405.520 0.898 30 20 HCED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1784747006 ZKTJUZDBYKKJLL-IBGZPJMESA-N 405.476 0.436 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1785379539 KKVKENXPDTXDLD-OAQYLSRUSA-N 423.429 0.164 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1785442485 DXNZHGDXSGLNIM-UWJYYQICSA-N 421.542 0.403 30 20 HCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@]2(CN(C(=O)CC#N)CCO2)C1 1785452524 QBDNZNOUYIFVDH-RXVVDRJESA-N 416.453 0.616 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]2C1 1787521107 TUSSPWDGYULYIH-QSGXVVIFSA-N 409.527 0.406 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788414573 WNBPXXSEYCNCQA-OYSPMZIOSA-N 416.522 0.996 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1789894878 PJYDNKZUQCJOEU-BZSNNMDCSA-N 418.494 0.452 30 20 HCED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790271690 ACLFKRQAQHFQQJ-IHPCNDPISA-N 412.490 0.986 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)C[C@@H]21 1790791581 DEIQTMNGHAPVQK-OVWQWFNUSA-N 405.495 0.903 30 20 HCED COC(=O)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)C1 1791247556 KPOPXAAISMHALH-QEOTZNIISA-N 420.462 0.034 30 20 HCED 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FLRSTRCASVJNCA-SZMVWBNQSA-N 423.558 1.000 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830625881 DTDZADSSKYKHIJ-ZGYKXIANSA-N 424.542 0.322 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1832452081 RPLQAESIWAQNHV-UYAOXDASSA-N 420.535 0.457 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1832454352 JBYHHMGEWCHNKS-IBGZPJMESA-N 406.508 0.774 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1832458761 ZLMAZLHIMANOHK-YLJYHZDGSA-N 411.568 0.704 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1833476766 BGYVDVCILJSTHB-SJORKVTESA-N 420.554 0.675 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccn3)CCO2)C1 1833986508 JCJQJJOBIGZUEC-JXFKEZNVSA-N 404.467 0.953 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834028536 SOJUUHZIWBSBQB-OXQOHEQNSA-N 404.467 0.120 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834317872 GGGFTHNHJNJCFK-BEFAXECRSA-N 408.455 0.854 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1834758943 ZQYUHDZWAOSHRZ-INIZCTEOSA-N 413.356 0.479 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1835098282 GLAACBYHFQBYGV-OAQYLSRUSA-N 410.430 0.237 30 20 HCED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099167 AVAIGXLOIGDBRC-QFIPXVFZSA-N 408.458 0.840 30 20 HCED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835886372 SDFMVMRQFIRTFV-MHRHTVJOSA-N 420.510 0.543 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836158312 IBTICCCHOVZXAG-LAUBAEHRSA-N 418.494 0.881 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837567915 YHYSWZONDXUNMC-ITFLWDOHSA-N 419.812 0.987 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838216984 PFTJASIFKWGJPX-OXJNMPFZSA-N 419.482 0.656 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)nn1 1838346336 OVKUZNGKDKQDHQ-LPHOPBHVSA-N 424.523 0.510 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(O)nc4)CCO3)C2)CCC1 1838652984 AKULYOSHJSUAOA-HXUWFJFHSA-N 400.435 0.551 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)c3)CCO2)C1 1838926862 RCXPWBDSDIXVAI-HTAPYJJXSA-N 416.474 0.804 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839637594 NNKWOBLKAMSEGZ-NZQKXSOJSA-N 424.501 0.622 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839771944 IYJQNSUWMZHWOK-FIKGOQFSSA-N 417.437 0.751 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839845615 VOXSLHPJONCIJB-RDTXWAMCSA-N 400.497 0.473 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839879311 REGGEWTUDXVNQX-HGHGUNKESA-N 407.511 0.736 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)(C1)C2 1840007085 MAYQAKAOCOVHTQ-LUPGOKSRSA-N 412.508 0.104 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840538261 BVVKYKYPVQDOFD-AVRDEDQJSA-N 413.474 0.973 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840592436 LUJLRZFIRIGWKX-OAQYLSRUSA-N 410.511 0.731 30 20 HCED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673126 GLELKUUQRSSJRS-UHFFFAOYSA-N 413.437 0.958 30 20 HCED CCCCCN(C(=O)Cn1cnc(C#N)n1)c1c(N)n(CCCC)c(=O)[nH]c1=O 14143581 VQOMNQXKWCZYAS-UHFFFAOYSA-N 402.459 0.605 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2ccc(C(C)=O)cc2)c1=O 31584815 HBQKJAJICHFOLK-MRXNPFEDSA-N 401.419 0.186 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)N(C)CCC#N)CC1 45799026 RPNQYIHGFPGBGD-UHFFFAOYSA-N 405.502 0.078 30 20 HCED C[C@H](Cn1cccn1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 46463107 WHEHUFPWLYBNMD-OAHLLOKOSA-N 402.480 0.859 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 409710334 GHMZQRQSVIJWOL-KRWDZBQOSA-N 408.524 0.701 30 20 HCED COc1ncc(-c2noc(-c3ccc(C)c(S(=O)(=O)NCC#N)c3)n2)c(N)n1 426566742 UGDIQQRAVQSVTP-UHFFFAOYSA-N 401.408 0.895 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(OC(F)F)n(C)n1 426922916 GQYQVPWWWRZZRZ-SNVBAGLBSA-N 420.380 0.359 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)cc1 440687916 YYUCVIXCTSFGCZ-CQSZACIVSA-N 413.521 0.368 30 20 HCED COCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443026434 PIFBILSOQIFWDI-NSHDSACASA-N 403.438 0.291 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ccnn2C)C1 447041452 XXFJNMZDPWDRGM-CVEARBPZSA-N 409.498 0.971 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 462555486 UXWXMSNOMKZFRC-UHFFFAOYSA-N 405.480 0.680 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 476144748 IUXSZNUHEDMCJH-UHFFFAOYSA-N 410.459 0.452 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3CCc4sccc4C3)CC2)nc1 478836516 UBXJQWSKAQSBIW-UHFFFAOYSA-N 424.530 0.838 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 478849105 BRSGVQIFWYBFDF-ZDUSSCGKSA-N 424.457 0.880 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(CCOC)CC2)c(C#N)cn1CCOC 481474426 PMPWVRHLNQUJTL-UHFFFAOYSA-N 407.471 0.979 30 20 HCED Cc1ncc(S(=O)(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)cc1C#N 489901004 QAHXCCNNANHCPN-CQSZACIVSA-N 401.514 0.201 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(C(N)=O)n3)C2=O)cc1 505177605 WLSQYCKGJRETEF-HNNXBMFYSA-N 406.402 0.302 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1)C(N)=O 508957944 ATUIRGBEEWUULP-UHFFFAOYSA-N 403.414 0.255 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 510785345 SZSCBPOSOSHEPG-UHFFFAOYSA-N 405.480 0.554 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CC(N4CCCCC4)C3)CC2)c1C#N 511966703 BKSVWCZMYIGZBQ-UHFFFAOYSA-N 413.526 0.382 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)[nH]c21 532871931 LILATUAONFSJCM-UHFFFAOYSA-N 418.417 0.873 30 20 HCED CCOC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)C 554694301 GMMQRRNUJAHHCC-MSOLQXFVSA-N 400.479 0.953 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 561538228 KCQDJKHBXSRWKN-SECBINFHSA-N 408.299 0.762 30 20 HCED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cn1 573821860 DLIZRHOLABKOTE-ZDUSSCGKSA-N 401.448 0.765 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2cc(OC)c(OC)cc2OC)c1 602252516 LBVXIKBOIWVJNY-UHFFFAOYSA-N 415.402 0.849 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 604214000 REROKVDQJUJIKI-OAHLLOKOSA-N 408.480 0.848 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccncc4)c3)CC2)c1 610869569 KXODFPIKCDJDJU-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 611173588 BOEGPANJCGCFJV-UHFFFAOYSA-N 423.514 0.190 30 20 HCED CC(C)(C#N)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 611694559 SIHKHOSFVBWMBP-UHFFFAOYSA-N 406.508 0.966 30 20 HCED Cc1ccc(NC(=O)CN2CC[C@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 615635763 HUTIGVLTZPPTDZ-SFHVURJKSA-N 410.471 0.892 30 20 HCED COC(=O)C1CCN(C(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)CC1 725792037 GEHWEQCNLXUNSF-UHFFFAOYSA-N 418.494 0.567 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 728946207 DGPCEELRCILKLA-INIZCTEOSA-N 417.514 0.234 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCOC 732795383 FCKLYWPSNJCOHJ-UHFFFAOYSA-N 417.535 0.753 30 20 HCED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1-c1ccccc1F 732910442 PSSVTNWBAZUVKR-CYBMUJFWSA-N 404.423 0.899 30 20 HCED COC(=O)Cn1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 742625945 XQEHEUACDBMKRF-LLVKDONJSA-N 405.436 0.512 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC(N)=O)CC1 747991370 WQFPRIZOGFFHBR-OAHLLOKOSA-N 421.523 0.943 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(C(=O)N3CCOCC3)ccc2OC)CC1 754302499 SXVMZUOPUCADJA-UHFFFAOYSA-N 400.479 0.357 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)[C@H](C#N)C1 755538230 PGKLSLAIPKDHNN-QMTHXVAHSA-N 419.413 0.738 30 20 HCED CC(C)C(=O)N1CCC(=NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 756855085 JYPNZXZKNLILGP-UHFFFAOYSA-N 423.558 0.696 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C3CC3)s2)c1=O 758082306 DPTUUBKYXQUMFT-UHFFFAOYSA-N 414.512 0.143 30 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CC(C)[C@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 807451547 OWPLOTIBZDEZFP-KTNMXJNISA-N 424.523 0.819 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1nnn(-c2ccn(C)n2)c1C 816023132 RKOKQQMSYCVDTC-UHFFFAOYSA-N 401.408 0.308 30 20 HCED CN(CC(=O)NS(=O)(=O)c1ccc(Br)c(C#N)c1)S(C)(=O)=O 821618301 ACWZEYUSUHBNMK-UHFFFAOYSA-N 410.271 0.017 30 20 HCED CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O 916198657 RPVROAKUXFLLFS-UHFFFAOYSA-N 415.515 0.983 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)cc1 919048233 BXOSGBSNBCEAGM-UHFFFAOYSA-N 422.459 0.120 30 20 HCED Cc1c[nH]cc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 920580360 OXARRWFCRHXYGH-UHFFFAOYSA-N 416.459 0.885 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)CN3CCCC3=O)CC2=O)cc1Cl 1137456528 QTGOMPZYAAQDTN-ZFWWWQNUSA-N 404.854 0.664 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1296664261 MGSKUMURZADGQT-FUHIMQAGSA-N 420.514 0.380 30 20 HCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1305205454 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C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833826190 DUNJFUUBIOKZOL-XOBRGWDASA-N 404.467 0.895 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755709 JRCVKKVCXKUDGN-QRWLVFNGSA-N 424.498 0.517 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)NCC(C)C)CC2)CC1 1835127288 YHBYXFRZGZIAAY-KRWDZBQOSA-N 422.570 0.921 30 20 HCED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1 1835345760 ZTIVPFNLBMCTIA-HXUWFJFHSA-N 415.450 0.249 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1837392329 CWNZTJPZBARAIQ-HRAATJIYSA-N 420.462 0.492 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837443831 KSRSRGDJKTYZRT-RZBRSOPZSA-N 420.510 0.607 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447274 WVCMVZVHAHPLML-ACIVSAMGSA-N 422.526 0.530 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)c1 1838732881 DTTIZDFMOKKTDP-YLJYHZDGSA-N 414.418 0.283 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1839451454 UEBNZDQFDGIWII-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1839839713 KKEHFNYDPICSBK-MGPUTAFESA-N 406.483 0.711 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840161487 QHCVKZDFQCWSHK-FZKQIMNGSA-N 405.480 0.118 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840200470 JHROFPFAUIOMRU-FXAWDEMLSA-N 412.552 0.750 30 20 HCED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840522994 BHDPPQWUFRGGIG-JOCHJYFZSA-N 422.522 0.568 30 20 HCED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840522995 BHDPPQWUFRGGIG-QFIPXVFZSA-N 422.522 0.568 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1840842098 NAFNDDARYMMJCJ-HXUWFJFHSA-N 404.467 0.013 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840844775 LBJOXQXJLCINAM-KKSFZXQISA-N 400.479 0.384 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCCC4)CCO3)C2)c1 1840940287 ZQKBMERASRDDTN-NRFANRHFSA-N 415.494 0.442 30 20 HCED CCCCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545917 PEBGMMKAQLHSNB-UHFFFAOYSA-N 407.496 0.490 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c([N+](=O)[O-])c1 52076581 JVOHODBVTDNDMV-UHFFFAOYSA-N 405.392 0.669 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cc1 52658222 LNWXRZULXKCIPA-LJQANCHMSA-N 415.538 0.929 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)CC1 53309431 UTVYGIJJGBLPBM-NRFANRHFSA-N 400.523 0.816 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 53907481 WIKKROVFJOUKJE-UHFFFAOYSA-N 410.478 0.279 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C(N)=O)[C@H](C)c3ccccc3)CC2)o1 428872859 PVWWOIRGPJOQCL-KUHUBIRLSA-N 410.478 0.751 30 20 HCED COCCN(Cc1nnnn1CC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 431877355 GZKKYJHUEPINDY-UHFFFAOYSA-N 404.374 0.944 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)CC1 435836094 OWZUHMAYSODUCK-UHFFFAOYSA-N 417.466 0.039 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)C1=O 440272816 CXNZHKZXCHOVEK-KRWDZBQOSA-N 400.479 0.938 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 440711753 OQYGUYLYOLKOBA-GJZGRUSLSA-N 407.492 0.953 30 20 HCED COC(=O)[C@@H]1[C@H](C(=O)OC)CCCN1S(=O)(=O)c1c(F)cc(C#N)cc1F 441870924 QVKSIUVAGWIPSD-MFKMUULPSA-N 402.375 0.952 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)Nc3cccc(C#N)c3)no2)cn1 442344776 QKKNSTMRINFBPU-OAHLLOKOSA-N 407.390 0.880 30 20 HCED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 442495546 MZNHJKKRFUWSCG-CZUORRHYSA-N 405.480 0.099 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cc(Cl)cs2)c1=O 447274044 YTYGFKVARPQPDW-LLVKDONJSA-N 409.920 0.960 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cn1 460573961 JUXIIPWOUPETLA-MRXNPFEDSA-N 421.461 0.842 30 20 HCED Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nc2nc(O)nc(O)c12 465266825 SCLDKKSGOBMHOI-NSHDSACASA-N 406.406 0.757 30 20 HCED Cc1cccc(C[C@H](CO)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 467344398 BOCQVTXNGROASG-LJQANCHMSA-N 418.457 1.165 30 20 HCED CC[C@H](CC#N)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 475015163 QPFKMPZYAXQTTK-OCCSQVGLSA-N 414.509 0.966 30 20 HCED COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 476410703 WKQOAEMRRVDLQB-IIAWOOMASA-N 407.496 0.920 30 20 HCED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481265727 WLWHABZSOPHPOZ-CJNGLKHVSA-N 424.548 0.995 30 20 HCED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 482965613 UMEVOKXNVWNIQD-BEFAXECRSA-N 407.492 0.975 30 20 HCED COCCC(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 489064955 CYHHOFGZKNLOOL-CQSZACIVSA-N 422.507 0.369 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCOC1 494565466 SRDFGCOCEUWHOX-INIZCTEOSA-N 406.508 0.359 30 20 HCED CN(C)C(=O)C1(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCCC1 499527679 HBAYZAUSKMWCQZ-UHFFFAOYSA-N 406.508 0.944 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NC[C@H]1CCCO1 507418250 QXQFFYOCVBWCGO-OAHLLOKOSA-N 405.480 0.985 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1=O 508104075 IOHPTPSPNPZDKM-NVXWUHKLSA-N 421.519 0.519 30 20 HCED CS(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511399202 OABSKWKHESKESU-UHFFFAOYSA-N 407.496 0.930 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H](O)COCC2CC2)n1 512999977 RIXIVLFMSCCJLA-ZDUSSCGKSA-N 401.398 0.725 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCO[C@H](C#N)C1 517307586 RKAUTWVAZRFUJJ-RDTXWAMCSA-N 423.491 0.902 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cn1 521859135 DZGUATJHRXAWDH-UHFFFAOYSA-N 409.475 0.985 30 20 HCED COC(=O)COc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 525848326 VGADSOVBHAQZGC-UHFFFAOYSA-N 414.422 0.445 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C(C)C)c1=O 527030403 GTTAXJQPFQRZJK-UHFFFAOYSA-N 415.519 0.505 30 20 HCED CCS(=O)(=O)NCC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 536544314 WJPJSDFQOMVKSW-UHFFFAOYSA-N 404.496 0.623 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)CC1 540348881 YOCITNBPTBRBGE-ACRUOGEOSA-N 404.603 0.637 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 540677222 GZXMOQSTWLXHOH-ZDUSSCGKSA-N 401.510 0.257 30 20 HCED CC(C)[C@@](C)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 541212724 WCCHEKOAACOCSB-FHSNZYRGSA-N 412.458 0.082 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 542766969 SVSAEIFRULZRQJ-MSOLQXFVSA-N 422.507 0.768 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C[C@H]1C(N)=O 548243906 DWWOXLKCZZBYDL-KCJUWKMLSA-N 405.354 0.916 30 20 HCED CN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 549297955 XHBAQXTWILJIDX-UHFFFAOYSA-N 401.467 0.670 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 552125527 APEOZFYOCZVHTE-UHFFFAOYSA-N 421.523 0.936 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)n1 552742406 QDQJBCSFVPPNBF-UHFFFAOYSA-N 424.505 1.547 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)C2)nc1 552902245 HLCNIHQPMWJKLL-MSOLQXFVSA-N 413.478 0.114 30 20 HCED CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 553355469 DMWOLBVFOUSSNF-MOPGFXCFSA-N 411.506 0.766 30 20 HCED CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)S1(=O)=O 553804795 NXSXKNGDIPROQV-VNHYZAJKSA-N 413.521 0.649 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 553907455 LFLINZOXIJYXGS-GOSISDBHSA-N 411.506 0.576 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 554520132 WMIYRXYLFYBJSE-UHFFFAOYSA-N 424.523 0.682 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2-n2ccc(C)n2)CC1 558168609 OQOHVODVAOZFOE-UHFFFAOYSA-N 424.505 0.243 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccncc2OCCCN(C)C)n1 558229909 NDSNLRIXUZNKSO-UHFFFAOYSA-N 413.482 1.316 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)C2 559588816 HXBZQAGVIFFVHE-WOJBJXKFSA-N 418.501 0.995 30 20 HCED COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)nn1 560073541 RKCUONJGNWRYQO-UHFFFAOYSA-N 403.342 0.934 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 561215174 AUOXMFLTYOANTD-UHFFFAOYSA-N 415.450 0.514 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2cnccc2C#N)CC1 565340074 LNGXAHABWZEXEZ-AWEZNQCLSA-N 414.491 0.750 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@H]2C1 572533644 RYBOGMILDORFOD-HRCADAONSA-N 421.461 0.841 30 20 HCED Cc1ccn2cc(CNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)nc2c1 582621519 XFPCKXWYVKIBIY-UHFFFAOYSA-N 403.446 0.874 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)c1 589729734 ZGRMMKUUXZJSNA-AWEZNQCLSA-N 416.434 0.897 30 20 HCED C=CCN(CCC#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 590409214 QKURASUQXFTNIV-HIFRSBDPSA-N 408.436 0.647 30 20 HCED CN(C1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1)S(C)(=O)=O 608991912 QHHVVRWVVOJFPK-UHFFFAOYSA-N 420.539 0.987 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1Cl 610916241 VHDFRHFSBNUOAK-UHFFFAOYSA-N 408.842 0.934 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCO1 611654045 ZOXGFQICOCKTDH-INIZCTEOSA-N 409.402 0.657 30 20 HCED C=CCn1c(Cc2noc(C(=O)Nc3cc(C)on3)n2)nnc1N1CCOCC1 680714452 ZQDLKQLOWNBTDI-UHFFFAOYSA-N 400.399 0.823 30 20 HCED C#CCCN1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 727102743 AEUHFYIPJGHSPE-UHFFFAOYSA-N 407.272 0.060 30 20 HCED COC(=O)[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 728689052 IEPHEZYLBGFSMV-MPUISCFQSA-N 424.479 0.905 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC2CCN(CC(=O)NCCC)CC2)cc1 731124836 OALKDZUXBRDSQF-UHFFFAOYSA-N 400.479 0.744 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732466424 NRGAVIVOQCVMFK-FMQUCBEESA-N 408.462 0.912 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732490859 FDCOJHXEGBDYER-QGZVFWFLSA-N 423.491 0.242 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(CC)c2)c1=O 732561198 IQMAIQSDQZDYSB-CYBMUJFWSA-N 403.508 0.190 30 20 HCED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 733669939 NILUYAFDMXUKPL-QGZVFWFLSA-N 405.414 0.949 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CN2CCCCC2=O)CC1 736137716 AADYOHJCSHMKAH-UHFFFAOYSA-N 418.519 0.976 30 20 HCED CN1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 737241850 MVKZVDKRWVCCFG-KTNMXJNISA-N 421.523 0.506 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 742069070 YGLKHRRMBGQZPC-GOSISDBHSA-N 416.909 0.977 30 20 HCED C#CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 743972590 QYYLYSPVNYBYEU-UHFFFAOYSA-N 406.508 0.481 30 20 HCED CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 746020411 UEUMOACSSMEQBJ-DUQXYPDUSA-N 405.415 0.470 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@H](C#N)C1 756890393 JLVRWDYLYLVYIZ-GPCWRAGYSA-N 405.455 0.630 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c1 757053323 POZDIVQEPYGLJM-HOCLYGCPSA-N 413.521 0.046 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 757054043 PLQNFADSWYYTGF-GDBMZVCRSA-N 413.521 0.046 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 758049542 GNDPEVXSDZLKMT-UHFFFAOYSA-N 416.890 0.166 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2sccc2OC)c1=O 758084089 OVUWAWJZHWLCRO-UHFFFAOYSA-N 401.513 0.888 30 20 HCED COCC1(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 765837283 DSHSYCCSMIZHHQ-RCCKNPSSSA-N 408.480 0.733 30 20 HCED CCCC[C@H](ON=C(C)C)C(=O)OCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 767752964 XWVXYQPLCFYHOV-OLZOCXBDSA-N 405.473 0.514 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)cc1 770865281 BWLRCJOLZJZOTQ-UHFFFAOYSA-N 411.443 0.735 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(-n2nnnc2C)c1)c1cc[nH]n1 772199673 KDXHONUFXAMHRY-UHFFFAOYSA-N 416.373 0.755 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1)[C@H]1CCCO1 773796527 LUAWOFQYYXECKT-RRQGHBQHSA-N 423.491 0.235 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)[C@H]1CCCO1 773799014 QAVXQIYGEJAJDB-CRAIPNDOSA-N 415.446 0.403 30 20 HCED CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 774293958 BWFJHLMGKGDXJU-CYBMUJFWSA-N 405.480 0.331 30 20 HCED C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@@H]1CCCO1 775563113 UYBYRVXJAMJBFL-MSOLQXFVSA-N 406.508 0.925 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)OC[C@@H]3C2)CC1 775978847 VUPSTJUDZFRORB-ROUUACIJSA-N 401.442 0.671 30 20 HCED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(C#N)c1 780366332 RJXSFMXTCWPORI-INIZCTEOSA-N 411.443 0.632 30 20 HCED CN(CC1(O)CCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785326370 PEOZORIPEVSPMA-LTGZKZEYSA-N 422.507 0.811 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 785719512 NTHYHOQKEHFYOX-DLBZAZTESA-N 402.451 0.627 30 20 HCED Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 787472358 DPYBKBYZPWGUDI-UHFFFAOYSA-N 407.434 0.958 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)Nc1ccc(C#N)cc1 789115104 RWAXAWZPWFFVPO-LJQANCHMSA-N 414.418 0.656 30 20 HCED C[C@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cnc(C#N)n1 798741253 MIPHRBYKQDIKSL-CYBMUJFWSA-N 413.394 0.511 30 20 HCED NS(=O)(=O)c1ccc(O)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 799116735 PAIAPYKNJFXUGF-UHFFFAOYSA-N 424.460 0.107 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 799288162 WXSKKZQKSKFVOY-INIZCTEOSA-N 409.508 0.855 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800010180 GMLLZPKIIHROHJ-ZDUSSCGKSA-N 411.509 0.089 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 800109073 ONZLKGHIAQTILB-UONOGXRCSA-N 401.489 0.442 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 805280550 DVKJDIBUXUHBCI-OAHLLOKOSA-N 406.508 0.880 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 810989084 ZPXNSQLOMNKKGF-UHFFFAOYSA-N 420.534 0.937 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)nc1 812956628 WKCPKIXWNOODDQ-UHFFFAOYSA-N 421.461 0.052 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CC(C)(C)OC2=O)cc1 815761123 GEZJBVLUDRGAET-HNNXBMFYSA-N 423.491 0.984 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 815861661 SVQGQOKGNCOZKF-UHFFFAOYSA-N 416.478 0.320 30 20 HCED C#CC[C@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 816671159 PPFZLJKSTCUISH-OAHLLOKOSA-N 404.492 0.570 30 20 HCED Cn1c(=O)c2ccc(C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 913375378 PDVGJJWWPPRSJE-MRXNPFEDSA-N 419.397 0.466 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2CCN(CC)C(=O)C2=O)C1=O 920430326 IUKDLMKWTRWJKK-IBGZPJMESA-N 409.487 0.379 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N1CCC(C(N)=O)CC1 1096035660 LJFIKBOUXADIGY-ZBRFXRBCSA-N 404.511 0.023 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1116396576 GVWYJVKELGDDGC-UHFFFAOYSA-N 407.536 0.718 30 20 HCED C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(=O)(=O)C1CCOCC1 1116775546 DMJQVDLOYQGPKJ-KBXCAEBGSA-N 419.503 0.758 30 20 HCED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(N2CCOCC2)n1CC(F)(F)F 1117135233 JDDKAHWNECIYAG-SNVBAGLBSA-N 411.406 0.141 30 20 HCED Cc1nc(=NC(=O)CNS(=O)(=O)c2cccs2)n(-c2ccc(C#N)cc2)[nH]1 1182768322 LXQQYWULFZEPOJ-UHFFFAOYSA-N 402.461 0.848 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cn1 1224984491 ZRSMHEIRFZTYML-KXBFYZLASA-N 419.507 0.521 30 20 HCED Cc1c(NC(=O)[C@H](C#N)C(=O)CN(C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 1263375058 DWJUUTLDUCZJEN-CQSZACIVSA-N 419.463 0.023 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCOCC1 1288773538 OUFJBGKFDVWEKT-CABCVRRESA-N 413.548 0.349 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N(C)C 1288818573 PGLXCRYJBKAALU-CYBMUJFWSA-N 411.532 0.497 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN(C)C 1303868290 VMKLPPWKNXJMEV-ZIAGYGMSSA-N 413.548 0.205 30 20 HCED CN(C)C(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503369106 SZARSKZIDZGHAA-GOSISDBHSA-N 408.510 0.919 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1503801614 LVVNVFGRGMZQTK-OAHLLOKOSA-N 416.507 0.824 30 20 HCED CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1541031057 IZYMVWKHHUXAJM-KRWDZBQOSA-N 416.507 0.966 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCC1(O)CCOCC1 1611659154 NJSGYRYJOCIQJU-KBPBESRZSA-N 414.532 0.558 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1627399990 NOFXSJIGKCCYTP-UHFFFAOYSA-N 417.285 0.308 30 20 HCED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H]1OC 1730988251 NMJLGWMZMYEVDH-IYBDPMFKSA-N 405.480 0.711 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)CCO1 1731190359 QFEFRVIRHGUDCU-DOTOQJQBSA-N 417.491 0.988 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)CC1 1741941145 QAIIQFHBJPGGDY-ZFWWWQNUSA-N 407.544 0.865 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749267192 PEBDUFBWMBSSIF-CHWSQXEVSA-N 416.935 0.747 30 20 HCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCO1 1750014924 MCZQOUFINKDUKU-IBGZPJMESA-N 420.477 0.940 30 20 HCED CC[C@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](S)C(C)C)C2 1777983928 SJRVPKVEPKVPNJ-NRTGNBEESA-N 414.572 0.902 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1778971796 OJDVJYPVXLPFRT-QEEYODRMSA-N 410.515 0.097 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1778973515 SHWYPKRAPAOESR-YVEFUNNKSA-N 422.400 0.495 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1778974517 GRYZXXGMDMHPIE-UWJYYQICSA-N 413.478 0.975 30 20 HCED Cc1nnsc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101602 OSJMKYJBOYHIFM-MBKBPMCRSA-N 423.495 0.819 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779132678 HKTMYSPGBNYGDA-JJWNDEHSSA-N 414.462 0.387 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779486115 JUTHXTXREBOOLI-FQEVSTJZSA-N 403.458 0.946 30 20 HCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780191608 QVVQMZCNHGOGDA-YJYMSZOUSA-N 404.854 0.790 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1Cl 1780192614 YAVAKUOBLWUBCD-YWZLYKJASA-N 416.865 0.934 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780396943 SRAZPXRFDMKULE-KJOZLBEHSA-N 422.438 0.139 30 20 HCED C=CCSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781481952 HUFDZITUJSZMMV-OXQOHEQNSA-N 420.535 0.676 30 20 HCED Nc1ccccc1/C=C/C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010513 LZOLKZIMLRGTPY-AEVOMHCASA-N 411.458 0.884 30 20 HCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)S)C2)C1 1783897321 JYCMDMHADJYWRR-YJBOKZPZSA-N 404.529 0.204 30 20 HCED 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C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1=O 439457333 QPCNECHKVWEXOU-HLLBOEOZSA-N 418.498 0.770 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@]3(CCO)CCOC3)CC2)cc1 447060349 PMIQFILTXZPCEN-LJQANCHMSA-N 407.492 0.617 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccco1 460592029 KYNBFHVNNJILKR-CYBMUJFWSA-N 421.417 0.800 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 461188000 CPJYROUWQLSQIJ-WRFANHODSA-N 411.487 0.779 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 462619868 OIUYNWBLXAPAFD-UHFFFAOYSA-N 410.477 0.691 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1cc(C#N)cn1C(C)(C)C)C2 466957785 MQVDXFOXAQWFMJ-UHFFFAOYSA-N 414.470 0.609 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)c1 468187578 RHKWLPWJLSITSD-KRWDZBQOSA-N 421.461 0.792 30 20 HCED CCN(C)C(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 476477077 SIUOUXQTCTVZNJ-AWEZNQCLSA-N 406.508 0.942 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 480449630 RCMQNTIVKNWGMI-HNNXBMFYSA-N 424.486 0.841 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2nc(C(=O)OCC)cs2)C1=O 482951024 ANFZLWNUKLZSFJ-GFCCVEGCSA-N 420.447 0.960 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 484620358 NMGOIBUHYPPIOZ-UHFFFAOYSA-N 413.496 0.935 30 20 HCED COc1cc(C#N)cc(OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 486067328 RILVLVSKLUBGAC-UHFFFAOYSA-N 407.434 0.971 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 487136210 NLRFZSAFXWKVJI-OLZOCXBDSA-N 424.479 0.065 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C 489192530 ALTIFQUZBVLLDN-UHFFFAOYSA-N 422.304 0.475 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 503625576 CMDDEHZDBZJUQC-UHFFFAOYSA-N 400.479 0.957 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2c(C)cnn2C)c1=O 505657782 GSFFOTGBPCYZBO-UHFFFAOYSA-N 409.471 0.550 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1F 505661598 LGQPNJMTLUWIQD-UHFFFAOYSA-N 423.473 0.885 30 20 HCED CC(C)n1nnnc1-c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1F 508320947 DRCQEPXOECUBAP-UHFFFAOYSA-N 412.389 0.278 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 511725893 BZUDEMMRTSYGAE-OAHLLOKOSA-N 408.480 0.848 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C2CC2)c1=O 512789996 DTQDLZHYNDRNJT-UHFFFAOYSA-N 401.492 0.117 30 20 HCED Cc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)NCC#N 521264035 QXTWTHPFLIBYSZ-UHFFFAOYSA-N 408.461 0.697 30 20 HCED C=CCNC(=O)[C@H](C)S(=O)(=O)CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 524450367 ULFLMVWSBIFBPV-ZDUSSCGKSA-N 416.521 0.914 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)C1=O 536258515 PZCUPRZMLBLLEJ-UHFFFAOYSA-N 405.374 0.731 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)c1 536996961 QYKSTMSUSIYBFN-UHFFFAOYSA-N 423.405 0.881 30 20 HCED COCCCN(C)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543924185 JQBFDGNJXWJCCU-UHFFFAOYSA-N 402.430 0.906 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cccc1C(N)=O 544869588 WSHXTJLYQRENTG-UHFFFAOYSA-N 408.418 0.348 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)c(C(F)(F)F)c1 547921602 FLGHYTDQZIESHO-KOLCDFICSA-N 405.354 0.916 30 20 HCED Cc1noc([C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C2CCOCC2)n1 558563062 JKQTZLYCBVODIJ-QGZVFWFLSA-N 419.463 0.812 30 20 HCED C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)c1ccc(C#N)cc1 559715161 LDNYFHGKBWYCBE-CYBMUJFWSA-N 410.521 0.230 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 559985813 AWXDRCLCQWNIQH-HNNXBMFYSA-N 423.429 0.940 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 565325299 KPTOYELBEXGCEF-HNNXBMFYSA-N 400.526 0.806 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCc4ccnc(O)c4C3)C2=O)cc1 570386161 FPMOWIXHANOKPL-GOSISDBHSA-N 419.441 0.461 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@H](CC(C)C)C3)CC2)c1C#N 571319230 RRFARLJVJQXKNB-IAGOWNOFSA-N 416.526 0.959 30 20 HCED Cc1cccc(OC[C@H](O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 576673319 MGRGTHHMXGKRTE-MRXNPFEDSA-N 403.460 0.701 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c(F)c1 586873154 CIKPWBYKVFVSDM-CABCVRRESA-N 422.482 0.333 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CC1 588884467 UUYNOZMVOJDNOY-OAHLLOKOSA-N 417.466 0.384 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NC3CCCC3)CC2)cc1 604502614 JPVBBBLHLDGUJO-UHFFFAOYSA-N 419.507 0.633 30 20 HCED N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 615591888 JZRSXTKOBCZUAV-KXBFYZLASA-N 403.462 0.929 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 728531884 KEMHVPARWMMSPQ-CYBMUJFWSA-N 404.389 0.043 30 20 HCED N#C[C@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 732909682 FHBUFSXSONYZCL-LSDHHAIUSA-N 403.460 0.543 30 20 HCED COC(=O)Cc1csc(N(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 734102732 DXAOIMMTRSUEIH-UHFFFAOYSA-N 408.461 0.560 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 740820693 QINNURYPIIYJRY-UHFFFAOYSA-N 422.503 0.856 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)no1 741157644 KSGNRARBCDMZPP-UHFFFAOYSA-N 407.427 0.939 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)ccc1F 742178070 BENIPGZZWUQNJY-CQSZACIVSA-N 422.525 0.850 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CO)C2)c1 749665082 ZDCDTWCXFAVUTJ-GICLCMKGSA-N 422.507 0.669 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 752248007 TTYDHURTIOBQBV-UHFFFAOYSA-N 414.871 0.612 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)NC3(C#N)CCSCC3)cnc21 756028660 IFLOSSNEVQUAJU-UHFFFAOYSA-N 411.285 0.798 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 758765611 ZDVGVJYWTLTNSE-DZGCQCFKSA-N 417.470 0.537 30 20 HCED C#CCNC(=O)c1cccc(-c2noc([C@H]3CC(=O)N(CCN4CCOCC4)C3)n2)c1 761807397 JBBFBVYDMTYVBR-SFHVURJKSA-N 423.473 0.748 30 20 HCED C=CCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 772717811 IXNCGJOACWLEBQ-LBPRGKRZSA-N 417.465 0.628 30 20 HCED C#C[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H]1CCCO1 772890776 RZOBRGIVQLSOQQ-OALUTQOASA-N 405.520 0.744 30 20 HCED C#C[C@@H](NC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12)[C@@H]1CCCO1 775343658 ZHWGWTMUOWQTDB-NEPJUHHUSA-N 404.500 0.194 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)ccc1C 780207259 USTVAMDHQVHULX-GOSISDBHSA-N 417.443 0.990 30 20 HCED CCc1ccccc1N=C1S[C@H](CC(=O)NC)C(=O)N1CCN1CCNC(=O)C1 781104071 KMSAKZLSALTRQR-MRXNPFEDSA-N 417.535 0.748 30 20 HCED COC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 781734859 XSMDLYZZEASAPC-UHFFFAOYSA-N 421.475 0.503 30 20 HCED Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1S(=O)(=O)NC1CC1 782129199 CXLUHDSHBSHAJQ-UHFFFAOYSA-N 413.459 0.957 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 783014395 OHYQNUJOOZWQGD-CQSZACIVSA-N 421.475 0.294 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)nc1 785575781 XAEWGPQERPGIBY-LJQANCHMSA-N 422.489 0.671 30 20 HCED Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 789570766 JLSUJVYGYGNCME-ZCXUNETKSA-N 408.418 0.762 30 20 HCED CC(C)(C#N)CS(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 790020885 OOSUPTIDJIEYMI-HNNXBMFYSA-N 408.528 0.751 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1=O 798546679 DRDISDCKMLXHII-JTQLQIEISA-N 423.271 0.138 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)C1=O 798664330 AACUJFKGJMDJJE-LPHOPBHVSA-N 408.476 0.772 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 804013799 IWJCAVHVBNSRRY-GOSISDBHSA-N 415.494 0.795 30 20 HCED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 804749322 MYOPZMMDPYUOIC-UHFFFAOYSA-N 414.466 0.337 30 20 HCED CC[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)S1(=O)=O 805392995 OXQSWNDUFOPWPU-QWHCGFSZSA-N 413.521 0.539 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccncc1 805813811 MJQFIIGEZQQRNZ-IBGZPJMESA-N 413.522 0.828 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 806718620 XDKLEXXKCUCGGY-QGZVFWFLSA-N 414.462 0.245 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(OC)c(Br)cc1C(=O)OC 806969364 SPWXECDBZONTKS-UHFFFAOYSA-N 413.224 0.949 30 20 HCED C=CCCOCC(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 810806558 UIZHMOJWYXWURU-UHFFFAOYSA-N 410.901 0.988 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC)CC(=O)NC(C)C)cc1 811832752 YAGKYTFXMRAQAY-UHFFFAOYSA-N 423.491 0.128 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(C(=O)NO)cc1 816404228 RMRGCUFLIZNQNW-UHFFFAOYSA-N 402.432 0.551 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCOC 916198130 CWFBQEINXYTRNV-UHFFFAOYSA-N 415.515 0.984 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 916691924 NHXVOFZFUJTTJA-PETKRDDUSA-N 414.509 0.808 30 20 HCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 917779829 LAKDSGLHYRKNBU-UHFFFAOYSA-N 419.890 0.471 30 20 HCED CN(C)C(=O)COc1cccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1116175038 VQGWNYGWSPWOPF-VXPUYCOJSA-N 400.435 0.686 30 20 HCED CCN(CCC(=O)NC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1176735337 UMMHAQNIOJNSOM-UHFFFAOYSA-N 414.466 0.913 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCO)CC2)cc1 1203391849 KFWHUHHKGZJYTJ-ZDUSSCGKSA-N 408.480 0.725 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)CN(C)C 1288825891 NIBTWKQCMPHGRM-DYVFJYSZSA-N 415.539 0.918 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)nc2n(C)c1=O 1302585697 RNVNJTYITWQDES-UHFFFAOYSA-N 422.420 0.605 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)C(F)F)CC2)cc1 1317874621 FFOYCMCOWDERBL-UHFFFAOYSA-N 407.420 0.628 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2=O)cc1 1318541168 OBUIIRWLLAXGSO-RTBURBONSA-N 411.506 0.434 30 20 HCED CC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1359364091 JEGVWZOGFXYIHD-INIZCTEOSA-N 403.487 0.404 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)COC1 1360707860 MAMGJBGOUBXTGS-ZFWWWQNUSA-N 423.543 0.101 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1454049433 PAWFVXAPZYTTJE-OFQRWUPVSA-N 409.508 0.343 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCOCC1 1516596379 HYBIJNIPBXUURQ-KRWDZBQOSA-N 404.515 0.923 30 20 HCED CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1517308263 RXQJORQTGUGMHZ-ZDUSSCGKSA-N 415.420 0.737 30 20 HCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C 1518518805 JAOPIGZDJQCLME-CQSZACIVSA-N 400.439 0.683 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1561655565 MWXXARVYBLAJRF-HNNXBMFYSA-N 407.540 0.810 30 20 HCED Cn1cc(N2C[C@H](C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 1568504888 IOMSCPRTGWOYRS-AEFFLSMTSA-N 406.446 0.562 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1615094498 WXYYVRDOCPJNIP-CQSZACIVSA-N 408.470 0.995 30 20 HCED CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1616033891 XGCGZRPOBHSHSI-CHWSQXEVSA-N 400.505 0.432 30 20 HCED COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1697536820 MHBBALVWEVVMRP-NVXWUHKLSA-N 417.491 0.966 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ncn(C)n1 1706866613 LADSCVGYFHSLAX-LBPRGKRZSA-N 407.504 0.195 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)n1 1707826878 XMKZYNXJZOJHFD-IBGZPJMESA-N 416.461 0.441 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1710268348 WMRKRODILAKBTM-BBWFWOEESA-N 402.547 0.994 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1761037436 FXWZYKTXRMUIRM-QGZVFWFLSA-N 401.515 0.512 30 20 HCED CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1767856181 IIONJCRLKAPNRK-INIZCTEOSA-N 410.479 0.131 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778638 PYPZIUSSWPCDJD-UTKZUKDTSA-N 413.478 0.975 30 20 HCED 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C[C@@H](Cc1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043953 DOYJXORKIUVGFB-MGPUTAFESA-N 404.419 0.003 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1840161433 OUYKPKWFQUXJEE-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1840161540 STHAFVWTFOEKPM-XCLFUZPHSA-N 419.503 0.570 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCc4nc[nH]c4C2)CCO3)C1 1840359870 RYDOBZUANLXMFP-OPAMFIHVSA-N 414.506 0.937 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815965 MBMNECZHBFTDQT-HRAATJIYSA-N 415.494 0.903 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1841054393 SYTMTKKJXNGQOH-HJWRWDBZSA-N 420.473 0.943 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)c1 1844296646 RDALCVHUYCMSKA-LJQANCHMSA-N 414.462 0.034 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)c1 1844596204 SMNFMLJOGCOHDI-UHFFFAOYSA-N 420.429 0.587 30 20 HCED CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195525 AIHRFFYOEMLZFV-FQEVSTJZSA-N 419.478 0.925 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)C#Cc1ccccc1)C2 1846560494 UXNVDKABNCLLPO-HXUWFJFHSA-N 419.485 0.712 30 20 HCED C[C@@H]1[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCN1C(=O)OC(C)(C)C 1847167460 WQAOSSAEWSAVTR-CABCVRRESA-N 419.478 0.923 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847785708 YIJZQBLVJQFYFF-AJNGGQMLSA-N 401.529 0.089 30 20 HCED CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11263780 MEIQQAWRKWRCMJ-UHFFFAOYSA-N 423.351 0.535 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1 32831452 FVMLBGFWIVTCNJ-IBGZPJMESA-N 406.508 0.810 30 20 HCED CC(C)(C)CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 53111999 OYSQKARARMJKAQ-UHFFFAOYSA-N 406.508 0.944 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 410112262 AZEQFBLXKDWNQP-QGZVFWFLSA-N 422.507 0.559 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)CCO1 410138092 PRORXRDNHSXRLN-INIZCTEOSA-N 412.899 0.496 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 410399753 GIFVTISPMSGXIJ-KGLIPLIRSA-N 412.516 0.302 30 20 HCED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CCN2C1=O 427402290 BVLJBZOQTWMBMA-HNNXBMFYSA-N 401.471 0.879 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)n1 429796463 WJAGTGRGIZUJIU-KRWDZBQOSA-N 412.519 1.469 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)COC)nnc12 432727358 GPSDNMCSCWKIRU-LBPRGKRZSA-N 403.464 0.446 30 20 HCED CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCN(S(C)(=O)=O)CC1 435030653 TWZNIGHMKVVBLW-UHFFFAOYSA-N 409.512 0.936 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)CC2)c1 435485943 YVFLWAVKSAOQPU-KRWDZBQOSA-N 418.457 0.844 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 437735429 KLZHGZDCUZDHMK-BHIYHBOVSA-N 420.535 0.889 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)cc1 438267098 OVBBSXCXZHWMQD-MRXNPFEDSA-N 403.435 0.313 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(CN(C)C)c2)CC1 440052246 OOOQXLANYWQPRQ-UHFFFAOYSA-N 421.929 0.787 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCOC1 441928737 ODRRBRKXVYITSM-CQSZACIVSA-N 413.474 0.867 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2 443104321 RNIRNXPAZHOQMB-UHFFFAOYSA-N 406.424 0.530 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1C 446533704 WEEOLCBNXLFIER-UHFFFAOYSA-N 402.451 0.795 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3C#N)CC2)cc1OC 461857876 VYPOJNPACOABHP-OAHLLOKOSA-N 423.491 0.855 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 465066180 QIOSOWJMRRURAN-ZBFHGGJFSA-N 415.537 0.599 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 468845907 DRKLPKIKCMZZEK-XIKOKIGWSA-N 411.480 0.434 30 20 HCED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CCO2 472926188 VFIDJKOUUIHFPR-XOBRGWDASA-N 410.434 0.543 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@]3(C#N)CCOC3)CC2)cc1OC 478647886 URYODFUWFSBLST-IBGZPJMESA-N 423.491 0.903 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(S(C)(=O)=O)CC1 481926360 OBAGPNXFCKAEHS-GRTSSRMGSA-N 413.521 0.697 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 494755967 FLMYDXSQQUXWDX-UHFFFAOYSA-N 406.483 0.842 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CCC#N)CCCN(C)C)CC2)cn1C 499331861 DJGGISZDCGWJRS-UHFFFAOYSA-N 424.571 0.823 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2F)c1=O 502054216 BZZDYOSVGPJVHN-UHFFFAOYSA-N 409.446 0.553 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1C 504023097 JLSWPNWMUMFFRJ-UHFFFAOYSA-N 424.461 0.818 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)c1 504399657 SARZOJOFNNUCRT-UHFFFAOYSA-N 419.441 0.778 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 509205696 NENAEJPZNBJLAF-CJNGLKHVSA-N 413.931 0.963 30 20 HCED CN1CC[C@@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 511543747 VRZUUYQDIYMIIF-OAHLLOKOSA-N 412.450 0.617 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CCSC)c1=O 512720683 NUNJNRGULFOHPQ-UHFFFAOYSA-N 417.560 0.615 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)NC4=O)CC2)cc1 517798599 YZRGVSGUYGMAMJ-UHFFFAOYSA-N 424.438 0.589 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 520374196 TYVGWCHYCZROLM-HNNXBMFYSA-N 411.480 0.550 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)c(F)c1 523965811 PVFSPOKFWDMUHE-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 524282024 MJOSVBBYBOYVGT-UHFFFAOYSA-N 420.441 0.093 30 20 HCED C=CC[C@H](CO)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 538212748 VMYLDFJDGOGRDE-IRXDYDNUSA-N 404.515 0.766 30 20 HCED CNC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 540551755 RWZFNIHGQOUXGP-HKUYNNGSSA-N 401.486 0.993 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCS(=O)(=O)C1 542082682 HNPLIKCYJATQGG-CYBMUJFWSA-N 421.866 0.981 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 553207301 CNZYIEIMZOTWKK-UHFFFAOYSA-N 424.498 0.644 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN(C4CCCC4)C3)C2=O)cc1 553357338 LIUDKJJSSSGATC-ICSRJNTNSA-N 423.517 0.908 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 555273176 SNWUGJZWWDYDIP-GXTWGEPZSA-N 411.532 0.505 30 20 HCED CCOC(=O)CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558965685 LXYOOQXZRKHARH-UHFFFAOYSA-N 422.507 0.276 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)OC 565496373 PFNWYBPLBMLWSD-INIZCTEOSA-N 416.434 0.512 30 20 HCED CC(=O)N1CCc2ccc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc21 573399033 HUQVKYJRCRNZPN-UHFFFAOYSA-N 406.508 0.832 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)n(CCC#N)n1 584390889 HZTCURMNGOZQHS-UHFFFAOYSA-N 415.498 0.200 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 589379826 BLUZWWIGOKZNMM-UHFFFAOYSA-N 424.486 0.888 30 20 HCED CCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 590709562 GULBCJJFAPCUEW-UHFFFAOYSA-N 413.434 0.305 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cn1 604065865 IIRCCZBMNCEVHE-QGZVFWFLSA-N 402.480 0.107 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 611002675 WKHLALWLJUHQFW-KRWDZBQOSA-N 422.497 0.557 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c1 674420324 UCPIYYWIHHKYGA-HNNXBMFYSA-N 406.464 0.259 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 685814241 ZPRMNEALSGWEKT-GOSISDBHSA-N 406.508 0.860 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 728533007 REKGMMZTFZXRTG-UHFFFAOYSA-N 424.548 0.040 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCCc2ccc(OC)c(OC)c2)CC1 728571194 YCKUPGHVUTVGOX-QGZVFWFLSA-N 416.522 0.118 30 20 HCED CC(C)n1c(S)nnc1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 730099391 AGBHRFYWMXOGHZ-UHFFFAOYSA-N 422.536 0.935 30 20 HCED COC(=O)c1c(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n[nH]c1C 732217217 FLBHMRFJTSZCKT-UHFFFAOYSA-N 420.451 0.753 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)C2CC2)c1 734228599 HZJXBZYLETWHMB-MOLDEKSUSA-N 408.480 0.325 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCC)cc1 741239170 JMPGSKDABICHHR-ZWKOTPCHSA-N 406.504 0.990 30 20 HCED CN(C)S(=O)(=O)c1cccc(COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 741345345 XMTPWZLZONDIMO-ISLYRVAYSA-N 407.448 0.897 30 20 HCED C[C@@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 745485339 YAZHQPPQKMKAEI-DFMBRWPFSA-N 403.435 0.423 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)NCc1cccc(C#N)c1 746553898 ZNRIIZHCVBRJPR-UHFFFAOYSA-N 406.420 0.301 30 20 HCED CC(=O)N1CC[C@H](CN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 754893718 RETDWDGYRNWLKZ-UKRRQHHQSA-N 406.508 0.831 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccc2OC)c1=O 758071891 PRKUCMCJHMWRJS-UHFFFAOYSA-N 419.462 0.964 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncc(F)cn3)CC2)c1 759301508 SGPJXZCARFWWCP-UHFFFAOYSA-N 403.439 0.490 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccn(C)c2)c1=O 763436540 VBPFQWVLOJZBTD-UHFFFAOYSA-N 400.504 0.457 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 765188330 YHWDGHMSYGSENP-UHFFFAOYSA-N 414.325 0.646 30 20 HCED Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 766282828 QPCBCIBYRNEUDC-NSHDSACASA-N 407.408 0.882 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCCC3)s2)c(=O)n1C 767881811 NGQGTUWVFMOORI-UHFFFAOYSA-N 418.544 0.827 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 773414926 BSEDZDPNHDKXFF-USJZOSNVSA-N 407.426 0.560 30 20 HCED CN(C)C(=O)NCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 781442013 WREMDTVHNAQGEH-QNGOZBTKSA-N 410.500 0.892 30 20 HCED C[C@H](CC(=O)N1CCC2(CC1)CNC(=O)O2)/N=C1/NS(=O)(=O)c2ccccc21 781845166 VHDFMOKXDLCNOY-GFCCVEGCSA-N 406.464 0.605 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)CC2)o1 796285679 RPZFLTIMYYAHLE-SWLSCSKDSA-N 417.466 0.727 30 20 HCED C=CCOC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 796460115 VLDYUGPZJFBDEM-JSGCOSHPSA-N 409.464 0.364 30 20 HCED COc1ccccc1CCNC(=O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 798108156 ZYKQBOBOKUABOX-HNENSFHCSA-N 415.450 0.180 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800051134 GPJLRYQZEWBVJY-SNVBAGLBSA-N 406.452 0.474 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 800057077 STKYOONTUZASMD-UHFFFAOYSA-N 414.503 0.983 30 20 HCED CS(=O)(=O)c1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cn1 803334506 HSGBMUXJUWLWBM-UHFFFAOYSA-N 401.400 0.513 30 20 HCED COC[C@@]1(CNc2c(C#N)c(=O)n(C)c(=O)n2C)CCCN1C(=O)OC(C)(C)C 804837941 LMWHPDGANWIIPA-IBGZPJMESA-N 407.471 0.784 30 20 HCED C#C[C@H](NC(=O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCCO1 805029100 NPFPLNUEPOYKKQ-VQTJNVASSA-N 411.502 0.881 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c(F)c1 807357171 KWKCJYMBMLHXDV-WLRWDXFRSA-N 404.373 0.864 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 808229790 DPUTZYHMKCOZJJ-CYBMUJFWSA-N 400.332 0.983 30 20 HCED CC(C)C(=O)N[C@@H](CO)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 813413692 USBHCKYDPLVTGZ-UFPHYQGISA-N 410.496 0.571 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(N2CCOCC2)c1 814420395 CBWQCWFBJJQERV-UHFFFAOYSA-N 414.487 0.878 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 815860946 JOTUAFXARYHOJS-UHFFFAOYSA-N 413.522 0.013 30 20 HCED CCCn1c(=O)nc(O)c2c(C(=O)[C@H](C#N)C(=O)NCCOC)cc(C3CC3)nc21 916891265 UAGGRTYKVNNAEM-ZDUSSCGKSA-N 413.434 0.870 30 20 HCED COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1315260053 JZHCLXQFQAGVNN-IBGZPJMESA-N 417.491 0.591 30 20 HCED 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410.434 0.103 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835352272 JMDSQSXGTAQFCH-ZDUSSCGKSA-N 417.539 0.628 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c1 1836354928 WVKVVFNEKCGVEG-BTYIYWSLSA-N 424.461 0.816 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837243851 KWRBWOKFIVYQAJ-YMGMXPECSA-N 422.494 0.813 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837369787 YYHUPVQXPWOOEF-SFHVURJKSA-N 418.841 0.366 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1837395081 OXNDLKIKUSYJAD-LAUBAEHRSA-N 418.494 0.428 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837403520 VFYYRHFWZLVSMI-IDVKNYFZSA-N 424.538 0.567 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837440937 HRCNUBAPFOPSJO-VMHRPQTGSA-N 416.482 0.018 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)o1 1837450331 HAXAJORMQFZJSY-FQEVSTJZSA-N 416.434 0.612 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837525243 LEBGYKSZTSAHPJ-HNNRIZOBSA-N 422.482 0.522 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1ccccc1=O 1837683791 IWMZRTFQSQULRA-IERDGZPVSA-N 414.462 0.169 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838340593 QEVROYBJNUKZNP-NRFANRHFSA-N 401.463 0.584 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838480391 TXNCPNWURJTGIQ-KZULUSFZSA-N 409.464 0.199 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774251 UQNHOQRZWCVVEF-UHFFFAOYSA-N 415.446 0.294 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1839106097 ZGZIBPDGPZJCEI-WOIUINJBSA-N 422.570 0.291 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccn3C)C2)C1 1839223615 AWOYGFRRHGSJBF-DNVCBOLYSA-N 407.471 0.291 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Br)cn3)C2)C1 1839807189 OOKFKQUTROEUBD-GOSISDBHSA-N 422.279 0.476 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)ccc([N+](=O)[O-])c3C)C2)C1 1839809406 OAYKOKVEAGSBTA-LJQANCHMSA-N 405.382 0.746 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1)C(F)(F)F 1839892025 ODVVZXOUSWZZOU-MRXNPFEDSA-N 400.357 0.665 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840490922 OFVPDQXVYWPZBE-YWZLYKJASA-N 401.467 0.513 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1840840858 QBDQKXYYKQQJMW-UNMCSNQZSA-N 416.474 0.598 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)[C@H]4CCC(=O)NC4)C3)c2c1 1841114471 USTFBPNTSJYRQF-AWEZNQCLSA-N 406.446 0.778 30 20 HCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842808372 AMJOGKOZJTYWMY-AWEZNQCLSA-N 406.483 0.769 30 20 HCED Nc1n[nH]c(CCC(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)n1 1844282969 ZICWSQSTGAEYCN-UHFFFAOYSA-N 400.483 0.222 30 20 HCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCC12CN(C(=O)C(O)O)C2)C(C)(C)S 1846301121 WDTMJBOEBKWXQH-LLVKDONJSA-N 417.528 0.102 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1846369809 DTJSWJIKLQUGFU-QWHCGFSZSA-N 401.529 0.784 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1847809226 BXGWUVYGKKBVRP-RMHZUWNSSA-N 416.478 0.786 30 20 HCED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 52717326 YWEVDAMMLWTTIO-LBPRGKRZSA-N 413.496 0.680 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(S(N)(=O)=O)c1 145019189 IMUYBINMPJQNTO-UHFFFAOYSA-N 402.432 0.859 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)NCCS(=O)(=O)N1CCSCC1 410029832 WARNCPKURAYNNA-UHFFFAOYSA-N 413.569 0.841 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)C1=O 426846707 APKKMAOSVGOEPA-INIZCTEOSA-N 412.446 0.313 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1[C@H]1CCCC1=O 427902727 ICUDZNYFGQEIKT-XKQJLSEDSA-N 405.476 0.822 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)cc1 431443389 FFGXEAYGHPODTE-SOKVYYICSA-N 422.532 0.830 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 439327037 MCNGHBDKUZCREU-QGZVFWFLSA-N 422.507 0.958 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](COC)C2)cc1 442018074 UYXUEWIBERNSPW-OAHLLOKOSA-N 411.480 0.305 30 20 HCED C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 442495545 MZNHJKKRFUWSCG-CJNGLKHVSA-N 405.480 0.099 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C)OC2(CCOCC2)C1 448317806 BJKORVZIMJLJPY-OAHLLOKOSA-N 424.461 1.182 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNC(=O)c1ccccc1 460615157 QOGSTCTWFVLXDK-UHFFFAOYSA-N 417.429 0.932 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)CC2(C#N)CC2)CC1 463419539 LZGGZPRGMMMSOY-UHFFFAOYSA-N 412.537 0.346 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 465412059 ZIAXTZWWXYFUEK-AWEZNQCLSA-N 412.487 0.545 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(-c2ccncc2)n1 465417483 ODUFBNJVBMPABT-CQSZACIVSA-N 417.433 0.605 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCc2cccc(C#N)c2)CC1 466813043 OASWGLNFASSAPV-KRWDZBQOSA-N 401.511 0.969 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 472649201 TWQFKTSLFKMIHF-INIZCTEOSA-N 413.459 0.787 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)cc1 474253347 SNWUMYRRZRPVAL-MRXNPFEDSA-N 418.461 0.759 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c1 475796916 ZWCJLRZYVBMDTN-UHFFFAOYSA-N 409.942 0.869 30 20 HCED N#Cc1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(Br)c1 481146644 UBWSTIDYRJNTDB-JKSUJKDBSA-N 414.325 0.596 30 20 HCED N#C[C@H]1CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C[C@]12C(=O)Nc1ccccc12 489061382 HXJGMSKMNJHVRT-OUWJGKLISA-N 404.426 0.810 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OC)c2)c1=O 489092376 FFWHAGKHLMSEKZ-MRXNPFEDSA-N 413.499 0.737 30 20 HCED Cc1ccc([C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H](C)S(C)(=O)=O)cc1 499664405 ZDYGOTRRZHCIEJ-FVQBIDKESA-N 401.510 0.528 30 20 HCED C=CCn1nnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 505837338 HKIYAUOOQZRZAN-UHFFFAOYSA-N 424.508 0.611 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)n1 510633953 ZVFGBHQMVOUREK-AWEZNQCLSA-N 418.255 0.795 30 20 HCED CCN(C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1)S(C)(=O)=O 512449319 FNFPQICKJGYRFU-SFHVURJKSA-N 413.588 0.425 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 512544794 JTGQPEDOHHLTIR-LJQANCHMSA-N 411.506 0.388 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 514440275 HKVIKXOIEGURHU-UHFFFAOYSA-N 421.523 0.741 30 20 HCED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 518517330 QYQCVPMEXNFPHG-HNNXBMFYSA-N 420.491 0.859 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C1CCN(C)CC1 518724044 BMRQMVMYPJYUFW-UHFFFAOYSA-N 400.504 0.799 30 20 HCED COCc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)cc1 525686909 UTQKOVHEURFRFX-UHFFFAOYSA-N 413.499 0.660 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 527279731 SAISLZXIYWOFLT-UHFFFAOYSA-N 418.425 0.114 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 552193164 YIRIKPPYHYCLFZ-CYBMUJFWSA-N 406.468 0.405 30 20 HCED C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 559760438 XNIBEZMXWRUSJE-APWZRJJASA-N 411.506 0.623 30 20 HCED CN(CC(=O)N1CCC[C@@H]1[C@H]1COCC[C@]1(C)O)S(=O)(=O)c1ccc(C#N)cc1 560898525 DZGZIFMDVGHORE-GGPKGHCWSA-N 421.519 0.957 30 20 HCED CS(=O)(=O)Nc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 562071919 ZIHYAJWIEWBDJJ-UHFFFAOYSA-N 422.488 0.524 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C)S1(=O)=O 577991062 NXYVYNQUHAOGSI-QWHCGFSZSA-N 416.463 0.502 30 20 HCED C[C@H](C#N)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 582523412 UCDMHGCTCUEIOP-PWSUYJOCSA-N 420.413 0.894 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 608889404 MTMDSJDDIWGGHW-UHFFFAOYSA-N 407.478 0.407 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 610804356 CODACIPXOAWGHJ-AEFFLSMTSA-N 420.535 0.938 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC(=O)NC(C)C)C1=O 726400332 INSUGCNMINALCY-CYBMUJFWSA-N 405.480 0.378 30 20 HCED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCNC(C)=O)cn1 726888472 NTYUMCPUXDQKQZ-CQSZACIVSA-N 405.480 0.827 30 20 HCED CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 727009820 AITYKVQWWYZBNM-DOTOQJQBSA-N 421.475 0.159 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)CC1 730029177 GJQVNFIILKLLBB-UHFFFAOYSA-N 401.577 0.941 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 732467137 VSNXVRMHHGDHLD-ISLYRVAYSA-N 414.422 0.953 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732797695 UBEIZTGEGUFQJW-UHFFFAOYSA-N 401.492 0.069 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCN(C(C)C)CC2)c1 735967643 FZUFSOIBZOSXST-UHFFFAOYSA-N 421.519 0.744 30 20 HCED N#CC1(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCC1 736844446 SBCFCKGGQRWQDO-QGZVFWFLSA-N 413.430 0.734 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 737230090 VVDBFOSQICBJRQ-UHFFFAOYSA-N 419.503 0.696 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(C(=O)OC)cc2)CC1 747278283 NPMYTOFTZAPCKR-UHFFFAOYSA-N 407.492 0.060 30 20 HCED C#CCNC(=O)C1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 747817979 BDQUEEPQHOQSOP-LSDHHAIUSA-N 420.535 0.361 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 747857622 XKSLSSWGQPLTSH-AWEZNQCLSA-N 406.508 0.827 30 20 HCED Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)cn1 749692456 MLYVAPODYFQFPH-UHFFFAOYSA-N 424.461 0.930 30 20 HCED CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 752347995 PKUYVDJASJVNIT-CABCVRRESA-N 406.508 0.973 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758049453 DWFHBEDYFHVMOC-UHFFFAOYSA-N 411.531 0.431 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 761032216 GKEFCQPLXXHCJZ-UHFFFAOYSA-N 417.535 0.635 30 20 HCED CCN(C(=O)[C@@H](C)OC(=O)C#Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 761218873 FOPMVFCKZVAXAC-HIFRSBDPSA-N 407.444 0.734 30 20 HCED CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767637660 OXCFQVFFNNOXSC-OLZOCXBDSA-N 424.479 0.639 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2ncn(C)n2)C1=O 768419190 YZBQGCVWAUPFIF-ZDUSSCGKSA-N 402.436 0.812 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)C1=O 769844696 FIWXGVAMKWIYOL-AWEZNQCLSA-N 421.406 0.446 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C[C@@H](O)c1ccccc1 770843326 OIVVXMJJGSTYEK-DOTOQJQBSA-N 417.487 0.716 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CCOC 772277234 GZPSDODYAIDTTL-UHFFFAOYSA-N 415.515 0.903 30 20 HCED C#C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775807289 QRNPPZDEBZUAJJ-ZWKOTPCHSA-N 407.492 0.416 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C#N)cn2)c1 781063749 FJAWUEISTYFEGG-UHFFFAOYSA-N 401.448 0.250 30 20 HCED 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C=C[C@@H]1OCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 967234665 FQQURNUCOINPMO-GCNBINEPSA-N 401.507 0.356 30 20 HCED C#CCC1(C(=O)NC[C@@]2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1040064863 WGOFKHRZWSQSSV-KPQJVYGTSA-N 402.491 0.310 30 20 HCED CC(C)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@]1(O)CCCOC1 1167691535 RCPYVPIETJJRSU-IBGZPJMESA-N 409.508 0.799 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(-n2cncn2)nc1 1288100213 QRUARJZTVVKBIT-LJQANCHMSA-N 424.444 0.882 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2=O)cc1 1318036056 LDLUUSYXCSHXHR-HNNXBMFYSA-N 404.430 0.881 30 20 HCED C[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCN(C)CC1 1318605480 BTFQQNXEKWCUJH-MAUKXSAKSA-N 412.494 0.515 30 20 HCED CS(=O)(=O)CC[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 1321007843 OEFOCSLRWBXTNU-UHHPSXQGSA-N 405.476 0.848 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@]1(O)CCCOC1 1470426951 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0.532 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCSC1 1706622627 UEJZAJZWQJDKED-KXBFYZLASA-N 419.555 0.461 30 20 HCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1707952525 MZRNJEKOUNGYBB-CQSZACIVSA-N 416.507 0.918 30 20 HCED CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711404729 RGHWXZXKMSIYGS-QGZVFWFLSA-N 411.514 0.452 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CCC#N)CC1CC1 1729345761 KAVBZBDSVVYLEE-UHFFFAOYSA-N 406.516 0.700 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1761543606 XBHBYLQYRXYJMI-PMUMKWKESA-N 406.512 0.794 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1766700299 UGWFFICBMRHKLR-MRXNPFEDSA-N 419.511 0.740 30 20 HCED CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1770310265 YDVQMQQJPLJVKD-HNNXBMFYSA-N 414.491 0.706 30 20 HCED CC(C)n1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779017570 RECVQTYKUBUMEA-XLKWYTADSA-N 417.514 0.774 30 20 HCED 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N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839624087 RRDDTMMVTGDBJS-LJQANCHMSA-N 416.413 0.242 30 20 HCED CCCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043265 OICQXNHCQMOJMZ-QFIPXVFZSA-N 414.458 0.797 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1840043522 DCNHPQBADAUKMB-VFNWGFHPSA-N 416.430 0.040 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840160409 GQNBRDICMYCAKK-YJYMSZOUSA-N 408.524 0.297 30 20 HCED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)ccc4F)C3)C2)C1 1840571778 OFQGGCXFWRONPL-NRFANRHFSA-N 416.453 0.329 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262083 MIYASFTWOWEPGC-INIZCTEOSA-N 402.882 0.488 30 20 HCED O=C(c1cc2n(n1)CCCO2)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259172 NMJMFXFQRPSDQC-FYJGNVAPSA-N 400.483 0.954 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)c1 1844297576 UUAKNPRSPASKPI-SFHVURJKSA-N 402.426 0.165 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1845224080 XYAFEUSRKHXLKT-CHWSQXEVSA-N 401.529 0.784 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1845256496 FWUGCSRDZRYDGR-AWEZNQCLSA-N 405.455 0.262 30 20 HCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)C1 1846410562 YOHSFLKQERFGRQ-JOCHJYFZSA-N 417.506 0.975 30 20 HCED CN(CC(=O)N1CCC(c2nncn2C)CC1)S(=O)(=O)c1ccc(C#N)cc1 24694123 LLODZNMYVZTOMH-UHFFFAOYSA-N 402.480 0.713 30 20 HCED CCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 29845080 AZVLWZKCQAZQPI-HNNXBMFYSA-N 409.512 0.402 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 41403569 RTJMGTLPVFVGRB-UHFFFAOYSA-N 408.358 0.103 30 20 HCED Cn1nnnc1SCCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 56087743 VPQYSZKYJDGMSW-UHFFFAOYSA-N 409.497 0.802 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)NCc2cccnc2)c1 142921486 PDZNSDOWLTWSJQ-UHFFFAOYSA-N 402.476 0.982 30 20 HCED Cn1c(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(C#N)c(=O)n(C)c1=O 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405.476 0.919 30 20 HCED CN(C)CCCN(CCC#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 481136205 HXCJUQDBGBPRIL-UHFFFAOYSA-N 401.515 0.599 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCCC2=O)CC1 481768740 NPLBGTJAYCITHZ-AWEZNQCLSA-N 404.492 0.838 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@]2(CCOC2)O1 485054626 NAPDPZMSIHIXGN-UTKZUKDTSA-N 424.461 0.933 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 486456981 OIDUSFOOFWTFST-HEFCWWFNSA-N 414.462 0.862 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 491124296 SAPKEWPUADYBBQ-UHFFFAOYSA-N 412.487 0.781 30 20 HCED C=CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 498404875 VLJYYPUATXFOTK-OAHLLOKOSA-N 410.452 0.596 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)C(C)(C)C)cc1 507125054 SIJZSTNQPLAFHN-UHFFFAOYSA-N 424.523 0.710 30 20 HCED Cn1c(=O)c2c(ncn2CCNc2ccn(-c3cccc(F)c3C#N)n2)n(C)c1=O 510130958 CSIHIHCNEXLREB-UHFFFAOYSA-N 408.397 0.742 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2C(=O)OC)CC1 513253436 AAGKUNDRXWJPNK-UHFFFAOYSA-N 424.404 0.136 30 20 HCED CC(C)(O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 514321095 MTIMBNAIVKCKMQ-FQEVSTJZSA-N 417.529 0.923 30 20 HCED Cn1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] 515185648 DCAOHKYOMAJKBL-UHFFFAOYSA-N 403.420 0.952 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC(C)C)cc1 523299839 GTKBQDYEAOEOEG-UHFFFAOYSA-N 423.498 0.669 30 20 HCED COC(=O)CNC(=O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 535892204 NOLOYUMIODYFIH-UHFFFAOYSA-N 419.131 0.739 30 20 HCED CN1CCN(c2ccc(CNC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)cn2)CC1 539184650 ZJRXBSJUFNDQCY-UHFFFAOYSA-N 424.509 0.911 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1=O 539373956 ITCIRQJGPPDUCE-UHFFFAOYSA-N 410.390 0.195 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(O)n2C[C@@H]2CCCO2)CC1 540372195 NHFUYAAKASHKHU-LSDHHAIUSA-N 408.528 0.947 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc(N4CCN(C)CC4)n3)no2)C1=O 545834823 HNWIIZVYRRIJGN-UHFFFAOYSA-N 411.422 0.360 30 20 HCED C[C@H]1C[C@H](C)CN(CCCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 550789793 BFIYTXUEXUWIDS-HOTGVXAUSA-N 417.558 1.129 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1 554459263 KUWACXUSOVBLIQ-QAPCUYQASA-N 410.478 1.149 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 554669742 RHCJCJKSNKHJPM-HNNXBMFYSA-N 404.492 0.608 30 20 HCED COc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC(=O)NCC#N)cc2)cc1 557721736 GSXVHHWYGHGOCF-UHFFFAOYSA-N 402.432 0.866 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 562023826 AJFDSDJHIVQERZ-SJORKVTESA-N 406.531 0.931 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 582113946 FBWCMDHXCRPTDX-CYBMUJFWSA-N 409.450 1.165 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)nc1 586838303 QVDOJOVUSXRVHF-UHFFFAOYSA-N 406.437 0.448 30 20 HCED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCOC2)O1 587659667 WQWYIEOVUJEVLE-BTYIYWSLSA-N 413.478 0.445 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCOC[C@H]2CCOC2)CCN1Cc1ccccc1 588107132 YZPCAQUIYZBHKK-RBUKOAKNSA-N 400.479 0.392 30 20 HCED Cc1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)c(O[C@H]2CCOC2)c1 588124137 XJAFUIQUOPPTQI-SFHVURJKSA-N 400.479 0.883 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)c1 588781286 CTIZLTDELPNZBG-SFHVURJKSA-N 424.505 0.509 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)C2)nc1 590273079 KDFUFSDBCBKPIU-INIZCTEOSA-N 405.414 0.858 30 20 HCED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609087500 TXRFJJLIRSEPAQ-UHFFFAOYSA-N 409.393 0.378 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 672803260 JBQSFZUMMFQNMZ-UHFFFAOYSA-N 414.528 0.437 30 20 HCED CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1 730020448 ATYIXIMGNAMXLJ-VIFPVBQESA-N 409.283 0.766 30 20 HCED CCn1c(S)nnc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 731227338 ALQVOINJNLPTGC-UHFFFAOYSA-N 408.509 0.722 30 20 HCED CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731862994 OCAXRYIJEIORMV-HTXNQAPBSA-N 420.491 0.972 30 20 HCED N#C[C@@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 732909679 FHBUFSXSONYZCL-CABCVRRESA-N 403.460 0.543 30 20 HCED CC(=O)[C@H]1CC(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)=NN1c1ccccc1 733700538 YGBNGUTYTBKBJX-NVXWUHKLSA-N 416.459 0.176 30 20 HCED COC(=O)c1sccc1NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741344915 SWUVTMCAQCZSRH-JQIJEIRASA-N 407.404 0.933 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 742141146 HERLLSHCIQGQLQ-INIZCTEOSA-N 415.475 0.257 30 20 HCED COC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 742792759 XXSYHOLFTPYAQE-QGZVFWFLSA-N 416.459 0.931 30 20 HCED Cc1c(C#N)c(NC(=O)COC(=O)c2cn(CC(N)=O)nn2)n(-c2ccccc2)c1C 745470062 XGWFYAHCJFSGBP-UHFFFAOYSA-N 421.417 0.838 30 20 HCED Cn1cc(C[C@H]2CC(=O)N(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)C2=O)cn1 746374332 LGRJAMMSYWPGNN-INIZCTEOSA-N 423.477 0.854 30 20 HCED CC(C)(C)OC(=O)[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 746630140 MKRDXBNLCJIERZ-CQSZACIVSA-N 423.491 0.684 30 20 HCED O=S1(=O)CC[C@H](S(=O)(=O)N2CCN(CC#Cc3ccc(F)cc3)CC2)C1 747674073 BSBSLAAQKXBPEK-KRWDZBQOSA-N 400.497 0.312 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O 751630296 GKCGVMKJUSAKNY-KZULUSFZSA-N 402.432 0.989 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 755555721 XQZUIAHDVZWNCU-ZFWWWQNUSA-N 415.450 0.860 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2COC3(CCOCC3)O2)C1 758663042 SFBUVQDOUVEDKA-RRFJBIMHSA-N 410.471 0.967 30 20 HCED C#CCCN1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 762298409 KVLXVOFXZNITSY-JOCHJYFZSA-N 411.506 0.602 30 20 HCED CC#CCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 762512556 RDFDENDCMIWOGA-SYLQMPFCSA-N 408.505 0.293 30 20 HCED CCC(Cc1ccc(OC)c(OC)c1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 763368548 BBKHVKAYUVXOOH-UHFFFAOYSA-N 424.479 0.388 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OC(C)(C)C)cc1 764908855 PFGGEYAPBRLPAQ-UHFFFAOYSA-N 408.480 0.964 30 20 HCED C=CCNC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 777513413 DFURZUQHPPZERY-CYBMUJFWSA-N 407.448 0.042 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)O)cc1 779500595 RIBUUDXWIKGZAP-RDTXWAMCSA-N 417.491 0.518 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780609409 RKWJAJJGUNKBTH-VGSWGCGISA-N 418.538 0.917 30 20 HCED COC(=O)c1ccc(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 781517168 KUJCQSVCHBGVRK-CCEZHUSRSA-N 420.809 0.708 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 783304005 LAGGKWPEJUQQOR-UHFFFAOYSA-N 414.572 0.563 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 783481330 WTOLPSDNFUDZNN-CQSZACIVSA-N 420.516 0.889 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 783481613 QOOPQIIIKCVLSK-LBPRGKRZSA-N 414.281 0.740 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3C(=O)N(C)C)CC2)c1C#N 788339744 OMZVUWSSSZKGFN-UHFFFAOYSA-N 423.477 0.589 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)n1 789788268 PYUFDOBPFJCOQR-UHFFFAOYSA-N 412.372 0.889 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])n1 796139175 BSLJCQQVZLOAKG-UHFFFAOYSA-N 419.192 0.938 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 799284558 IWRVJJRDKFBZDK-AWEZNQCLSA-N 420.267 0.918 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800782817 UEDWQSGUMWSJOH-UHFFFAOYSA-N 413.548 0.311 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2ccnn2CCCOC)c1=O 802723362 ISRMUFZZCNPDBO-HNNXBMFYSA-N 412.515 0.894 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)c(F)c1 804055842 IMYSQHBWPVZBBX-IAGOWNOFSA-N 415.469 0.325 30 20 HCED COC(=O)[C@H](Cn1ccnc1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 807283876 LVWSSUZINDZLBE-JSGCOSHPSA-N 419.463 0.058 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)n1 809504364 UWOQZPCPEVGNSS-UHFFFAOYSA-N 409.446 0.688 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@]3(CCc4ccccc4O3)C2)c1=O 811783557 RZGMQXFLQAFLNS-JOCHJYFZSA-N 410.474 0.971 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)(c2ccccc2)CC1 820476838 QKZAVFKJMYOMIT-MRXNPFEDSA-N 409.508 0.866 30 20 HCED Cc1cc2cc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc2[nH]c1=O 820791207 LKTWYIWKMFMHPU-FBMGVBCBSA-N 402.432 0.641 30 20 HCED CNC(=O)NC(=O)[C@@H](C)OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 822354263 ISKGDEQXVHKRTA-GFCCVEGCSA-N 424.479 0.673 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCCS2(=O)=O)n1 917076109 XYXPOUBRPZDNTC-UHFFFAOYSA-N 414.538 0.774 30 20 HCED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2NC(=O)c2cc(C#N)c[nH]2)c1 993547355 BICSCXZGCPDQKZ-YOSIWLQUSA-N 420.473 0.768 30 20 HCED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1313856241 ZHLDQJPXCBRIJZ-UHFFFAOYSA-N 412.479 0.711 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCC(=O)NC2CC2)CCO1 1316535642 WUCDFWOOTSKEJC-HNNXBMFYSA-N 424.465 0.713 30 20 HCED CCN(CC(=O)NC(C)C)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318157380 PZCPWKIJRKSVPO-INIZCTEOSA-N 414.462 0.827 30 20 HCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1359447483 WKLSLSZRUKQVJA-KRWDZBQOSA-N 411.466 0.246 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1453610270 VMFXWSSFVKEMHI-DJIMGWMZSA-N 404.492 0.888 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1475466166 SNINWOLBDASINF-CQSZACIVSA-N 414.528 0.731 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1503635335 KFULRBAVFLSJQE-GOSISDBHSA-N 405.480 0.449 30 20 HCED Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1510500437 TYBWESNSCAWNAF-IINYFYTJSA-N 414.492 0.539 30 20 HCED CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1515511967 VOAPLNXEKPXRQT-OAGGEKHMSA-N 410.544 0.639 30 20 HCED N#Cc1cn(CC(=O)NC[C@@H](O)COc2ccccc2Br)c(=O)nc1O 1622149327 XTRUDTMRIVXAAY-LLVKDONJSA-N 423.223 0.139 30 20 HCED CC[C@@H]1[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1C(=O)OC(C)(C)C 1641034252 WWKJJZYTIAQIFN-UONOGXRCSA-N 405.455 0.972 30 20 HCED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 1644009716 VYUNGPUQJQBOJY-UHFFFAOYSA-N 411.437 0.950 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1644168010 OUPWIYWYZOGOIX-UHFFFAOYSA-N 406.446 0.863 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCO[C@H]1C 1690994199 XVCFYZBIEFLTCJ-LMOYCYGVSA-N 400.505 0.024 30 20 HCED CCN(CCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1710141726 PGYSSPRNTALWRF-AWEZNQCLSA-N 420.499 0.135 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748294176 IQCNXGYUHDCIMW-INIZCTEOSA-N 416.511 0.066 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777977964 YCUIFSGLVGOJIF-UTKZUKDTSA-N 413.478 0.746 30 20 HCED 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N#CCC1(CNC(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 430356890 NSILIKWQDZDDNY-UHFFFAOYSA-N 413.478 0.497 30 20 HCED COCCCS(=O)(=O)N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 431124575 HBVHFEGCCXSLRI-INIZCTEOSA-N 400.545 0.701 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccc(O)cc1 436682795 RUWYAAVVIDQOAN-CYBMUJFWSA-N 416.459 0.477 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 446803022 SUABCVXIAFUXQJ-GJZGRUSLSA-N 424.465 0.257 30 20 HCED Cc1nn(C)c(N2CCN(Cc3nnnn3CCOCC(F)(F)F)CC2)c1C#N 447254845 DCIGHPCHXPPPSH-UHFFFAOYSA-N 413.408 0.488 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](CCC(N)=O)C1 460607121 DSSDIBQMVLHTJQ-CQSZACIVSA-N 409.450 0.890 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 463687123 QNBLKFQCSWXCFN-UHFFFAOYSA-N 422.488 0.657 30 20 HCED Cc1cc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)nc2c1c(=O)n(C)c(=O)n2C 464649735 OQUQIRUIABEIOG-UHFFFAOYSA-N 416.401 0.645 30 20 HCED COc1cc(C)c(CN2CCN(C(=O)CN3CCOC[C@@H]3C#N)CC2)cc1OC 464884137 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SOXDPDZYDZFTFE-CPUCHLNUSA-N 408.524 0.618 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4ccccc4C#N)CC3)cnc2n(C)c1=O 505678767 TWOGOJAOOWSSRS-UHFFFAOYSA-N 404.430 0.466 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 508125687 ANSCSMNAKROXFQ-LBPRGKRZSA-N 415.415 0.667 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NC(=O)COc3ccccc3)CC2)c1C#N 511333389 MHKIWFUDSGSJTR-INIZCTEOSA-N 410.478 0.833 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(OC)c(OCC)c(OC)c2)C1=O 515887899 YIAWFJWHPMYYIS-OAHLLOKOSA-N 419.478 0.964 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)N(C)C)cc1 516278683 WUPFJCZAXSCJAP-UHFFFAOYSA-N 410.496 0.416 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)c1 516422255 NPIGEZPLSAGIFY-UHFFFAOYSA-N 403.406 0.216 30 20 HCED Cn1c(=O)c2cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)n(C)c2n(C)c1=O 524161522 UGJGRANQKKYNNY-UHFFFAOYSA-N 423.429 0.907 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 540379507 WNOGXJRXSUXVBP-UHFFFAOYSA-N 420.408 0.960 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 540687272 HLWIGEZRYAEYDJ-MRXNPFEDSA-N 422.898 0.593 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 542628286 PQLVTUISZYQSQI-UHFFFAOYSA-N 406.508 0.832 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)CC1 548245042 ZIZSXWTWFLOOMI-UHFFFAOYSA-N 409.464 0.965 30 20 HCED CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 549354272 FAHIXCLDCCMECU-CYBMUJFWSA-N 404.500 0.501 30 20 HCED COc1ccc(COCCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 552907575 KYRUNCKPPOJTJF-UHFFFAOYSA-N 423.473 0.943 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 554679484 ZPLCGSYVGKXIDG-YJBOKZPZSA-N 407.540 0.677 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)c1 562188056 QKENNBTULRXYDM-MRXNPFEDSA-N 402.407 0.507 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)C2=O)cc1 563910146 LQMVUDUPKBFCAS-VQTJNVASSA-N 423.517 0.908 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 565683182 JUIAFWHIUPUZDS-ROUUACIJSA-N 402.495 0.845 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 567803441 DRBQZROMUJRGSK-INIZCTEOSA-N 408.480 0.169 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 576314863 HWEOKQZIFXCRIW-RAJLDSNDSA-N 409.527 0.470 30 20 HCED C=CCOc1ccc(Oc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 579746797 XJCIPGJRVXMJAF-NVQRDWNXSA-N 400.391 0.795 30 20 HCED C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 582802404 ZMIHNPQGVXSACX-OAHLLOKOSA-N 418.461 0.551 30 20 HCED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654930 VHFOERNDQGMHDW-INIZCTEOSA-N 414.510 0.217 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 589416168 NQUVBCLIXTTYHK-OAHLLOKOSA-N 422.493 0.362 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 591720024 WICVVJHDIXBQBC-UHFFFAOYSA-N 419.507 0.587 30 20 HCED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCSC[C@@H]1C#N 611407520 HYEHRTKVZIKOFI-STQMWFEESA-N 411.505 0.982 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C1=O 726043709 QGHIWXWYDUAMMH-NSHDSACASA-N 419.390 0.551 30 20 HCED C[C@]1(c2ccc(CNC(=O)NCCNc3ccc(C#N)cn3)cc2)NC(=O)NC1=O 726233914 INDZKRGHBGORES-HXUWFJFHSA-N 407.434 0.919 30 20 HCED C[C@@]1(c2ccc(I)cc2)NC(=O)N(CC(=O)NCC#N)C1=O 731158281 BBVLXIOJBGCONS-AWEZNQCLSA-N 412.187 0.698 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3nnnn3C)nnc12 733378747 UQUMKTOSHTXMPI-UHFFFAOYSA-N 412.435 0.589 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)[C@H](C#N)C(=O)NC2CCCC2)cc1 744037760 CQXAPCFHFULHEB-INIZCTEOSA-N 405.476 0.930 30 20 HCED C[C@H]1CN=C(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)S1 744611370 ZMGYXCUKJUNKRK-ZDUSSCGKSA-N 421.548 0.751 30 20 HCED C#CCNC(=O)CN1CCN([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 747959207 KTWKGVWETFARAA-LJQANCHMSA-N 400.479 0.176 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 747993643 OQHWVMCZQCMUMN-UHFFFAOYSA-N 420.469 0.823 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)c1 749212098 JRFZHCRBDUFFQF-HNNXBMFYSA-N 409.464 0.174 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)C1=O 753696918 MEAMZGQZJFDGTK-QWHCGFSZSA-N 407.448 0.376 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)[C@H](C#N)C1 754378425 FJFWTKSHGROJMI-GFCCVEGCSA-N 412.468 0.914 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@@H](C#N)C1 754388330 HMKWGODGBHJPJH-MLZJXEJWSA-N 405.455 0.726 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccc(F)cc2OCC#N)n(C)c1=O 760800515 JHQCVKCWACCEMA-UHFFFAOYSA-N 400.370 0.504 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 761033441 WZGUDZOGKRSMFV-NVXWUHKLSA-N 406.508 0.100 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1 761038647 PJVBKLCUHPKBFS-UHFFFAOYSA-N 416.906 0.523 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 766979526 YVYDUXXCIZAJDV-AWEZNQCLSA-N 414.443 0.815 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 767535129 BYDNDUODZMGTII-OAQYLSRUSA-N 413.478 0.862 30 20 HCED COc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 769743212 MQJSDBNYBBFQOI-UHFFFAOYSA-N 417.443 0.705 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(NS(C)(=O)=O)cc1)c1cc[nH]n1 770822382 RLXHNAZHEKZXIS-UHFFFAOYSA-N 409.424 0.704 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc[nH]n1 772300893 TXXKZXFGCQLKSQ-NEPJUHHUSA-N 400.457 0.166 30 20 HCED CCOC(=O)c1csc([C@H](C#N)C(=O)CN2CCN(S(C)(=O)=O)CC2)n1 778618142 PRGOHXAOCVYNSP-LLVKDONJSA-N 400.482 0.073 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 780069335 XHONURQHLWBNMO-CYBMUJFWSA-N 417.447 0.406 30 20 HCED COC(=O)c1cnc(C(=O)[C@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cn1 780306376 VQIXWSFBZLCKKZ-ZDUSSCGKSA-N 412.402 0.962 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2nnn(C)n2)C1=O 782961132 IOZYHNRGJFHDHY-ZDUSSCGKSA-N 416.467 0.436 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC(=O)NC(=O)C12CCCCC2 782975193 XRINDOXGENUWTA-UHFFFAOYSA-N 401.394 0.964 30 20 HCED CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 785224520 PTULRVURWKXQPU-CQSZACIVSA-N 405.459 0.012 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccccc2C(N)=O)CC1 788715223 CYEAHFFXBXHSLH-UHFFFAOYSA-N 402.480 0.563 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CC1 790856372 BLDRMRYEQGSJDD-UHFFFAOYSA-N 404.423 0.520 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 797378678 TZPOLNCPFVNZRK-RNODOKPDSA-N 404.394 0.814 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 799287806 TYKSMNIMIDHDMY-CYBMUJFWSA-N 413.883 0.709 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 803105126 IHUHFLRECRKBLO-KGLIPLIRSA-N 415.516 0.038 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccncc1 805816393 ZHZKBRBBTZBYCS-DLBZAZTESA-N 406.508 0.842 30 20 HCED COC(=O)C[C@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 813665898 ZFQWQXDOQQFWDJ-ZDUSSCGKSA-N 409.464 0.296 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCN(O)C3=O)c2)C[C@@H](C)O1 816755042 RSOQWXWSACVNIU-XJKCOSOUSA-N 411.480 0.595 30 20 HCED O=C(CCNS(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCCN(O)C1=O 816757546 VBWPOMYFJNRVSK-LBPRGKRZSA-N 420.285 0.614 30 20 HCED N#Cc1cc(S(=O)(=O)NC(=O)C[C@H]2CCS(=O)(=O)C2)ccc1Br 821618364 CJLLPHKAXNBBCW-SECBINFHSA-N 421.294 0.950 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2ccnn2C)c1=O 914565151 WKCGKDHTDXSZAD-UHFFFAOYSA-N 423.498 0.740 30 20 HCED CCOC(=O)Cc1cnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 1276216789 KIULYISFKBOCLU-UHFFFAOYSA-N 408.461 0.926 30 20 HCED COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1301437521 ISEDPXHBGJKZCQ-VBNZEHGJSA-N 418.495 0.118 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)C1 1302980585 VFNJVTMWISWVQQ-GOSISDBHSA-N 415.429 0.909 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 1319713424 ZBLBRDAYDMCZHU-UHFFFAOYSA-N 411.528 0.639 30 20 HCED C=C[C@@H](COC)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1320441436 GBFFQPUJXBPWPV-QWHCGFSZSA-N 400.453 0.927 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 1321447091 WNOVBOBDKOUGRQ-UHFFFAOYSA-N 417.531 0.519 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cccnc2C#N)CC1 1322441486 YLDBPSZAFMYAED-UHFFFAOYSA-N 401.466 0.084 30 20 HCED N#Cc1cn(CC(=O)NCc2cc(Br)c3c(c2)OCCO3)c(=O)nc1O 1442414640 OPYNOGYBLXJBRL-UHFFFAOYSA-N 421.207 0.671 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C(F)(F)F)no1 1447560175 QBFOUALUMIZBTC-UHFFFAOYSA-N 403.342 0.833 30 20 HCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCCO1 1544723486 NSXZZGXCKWSOTF-CQSZACIVSA-N 404.496 0.981 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)CC1 1568995647 YDYCSTAMKAZAPZ-ZDUSSCGKSA-N 409.464 0.667 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)nc2)C1 1620348494 XHWDNGQQFRETCT-IBGZPJMESA-N 412.429 0.385 30 20 HCED N#CC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CCOCC1 1648678816 LCLHZQXMGQKIKV-UHFFFAOYSA-N 408.480 0.221 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H](CO)[C@@H](O)C1)CCCC2 1653845561 VMKPMXNHLFBLKE-DOXZYTNZSA-N 402.495 0.641 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCN1Cc1ccccc1 1667234639 JAIXJNPMCJKODB-QZTJIDSGSA-N 411.549 0.851 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCS(=O)(=O)N(C)C 1742834674 OFLRVQQVKYNRFI-UHFFFAOYSA-N 421.502 0.815 30 20 HCED Cn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779063463 ZEACAUGVGIHLGM-NRFANRHFSA-N 400.479 0.562 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139748 HQNTXWWMJQZCKY-TVZYQXFDSA-N 402.451 0.149 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1779235318 PTMILWDNIVKMOX-HXUWFJFHSA-N 401.467 0.421 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343851 JGXRFBUXLRURCJ-VFNWGFHPSA-N 418.494 0.960 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779552425 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SOTKMYHDNUVKOV-DYESRHJHSA-N 415.494 0.669 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)C2 1841056188 WQIURNILPRKZLV-CZDHMLMNSA-N 415.490 0.804 30 20 HCED O=C1NC(=O)[C@H](CC(=O)N2CC3(CCCN3C(=O)/C=C/C(=O)c3cccs3)C2)N1 1843417419 GCHXFODZEOOZFM-ITKZLYELSA-N 416.459 0.289 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)C1 1843823312 QJDGDQDKGGKZFI-GJZGRUSLSA-N 406.483 0.721 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)C(C)(C)C#N)C3)C1 1845103800 JXFPJACDHRECRM-HUUCEWRRSA-N 420.510 0.967 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](C)n3cnnn3)C2)c(O)n1 1846644777 UVKJARFBCUWNBS-CQSZACIVSA-N 411.466 0.971 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1 1846970110 NBGYTDAYAZJXHB-CQSZACIVSA-N 405.455 0.262 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(S(C)(=O)=O)c1 1847382334 MHDUCPLLGJFLJT-JLSDUUJJSA-N 404.488 0.944 30 20 HCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 30938133 HXXGPTSJFLPGPS-ZDUSSCGKSA-N 418.479 0.574 30 20 HCED C=CCc1ccc(OCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(OC)c1 105481806 AAFQTVCHBXGHSK-UHFFFAOYSA-N 417.506 0.806 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1 409504741 WFMHKIDSXXNFHI-UHFFFAOYSA-N 414.484 0.681 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[C@H]1O 426123909 QGQJEINIIFDXON-DOTOQJQBSA-N 406.508 0.094 30 20 HCED COC[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCCO1 435299810 RVLYIHPNGSIWFC-HOCLYGCPSA-N 401.398 1.132 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 437382632 FDHRBKUFLMXXJC-HNNXBMFYSA-N 421.523 0.569 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1N(C)S(C)(=O)=O 438743162 CNSQCNXSPWEARV-UHFFFAOYSA-N 409.512 0.715 30 20 HCED COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 440095437 DGVCXKOTJODRBE-INIZCTEOSA-N 402.451 0.722 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1=O 440276340 VVLQKIYOFUBOBC-AWEZNQCLSA-N 418.406 0.874 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 441044586 XIJLORJXUQEURR-KGLIPLIRSA-N 400.435 0.384 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)c(OC)c2)c1=O 446159845 BUMVQUZMYRBCGC-UHFFFAOYSA-N 415.515 0.903 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460611577 VNKSZYLYTOBBIF-INIZCTEOSA-N 411.466 0.613 30 20 HCED CO[C@@]1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 461177677 CECYNTOKTUCHGT-LJQANCHMSA-N 407.492 0.881 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)c2n(C)c1=O 463208326 XANMDTILYBDAGA-GOSISDBHSA-N 420.473 0.448 30 20 HCED COC(=O)C1(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CCCCC1 464858273 MPCZYJMEXABZTK-OAHLLOKOSA-N 400.483 0.851 30 20 HCED CC(C)C[C@@H](CCC(=O)N1CCN(CC#N)CC1)C(=O)N1CCN(CC#N)CC1 468791597 BYTDLWMUKQZSQJ-LJQANCHMSA-N 402.543 0.764 30 20 HCED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471043790 NPBZYYPRDCMKHP-NRFANRHFSA-N 415.494 0.637 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)N3CCCCC3)CC2)cc1 478417119 LICRXHIIZXQUSR-UHFFFAOYSA-N 404.536 0.962 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 480712122 CBLOKCCRLFKSBP-ZDUSSCGKSA-N 403.382 0.752 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CC1 481983577 RBARRDZMBIRQKL-UHFFFAOYSA-N 400.485 0.444 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482185742 SQGLKCSQFSMXHR-SWLSCSKDSA-N 402.480 0.504 30 20 HCED CN(CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 488833613 WEFUENAYQQAGTB-KRWDZBQOSA-N 406.508 0.359 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCOCC 502012538 DWLQTJJFPVXWJT-UHFFFAOYSA-N 403.508 0.099 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504103560 LUTANMIIDIDKQD-HRAATJIYSA-N 409.446 0.890 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)nn1CCC#N 507643707 XZFYMHDPEXBUBY-UONOGXRCSA-N 410.500 0.268 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 507672727 BUYDDXJHTGQXFU-KBPBESRZSA-N 408.480 0.730 30 20 HCED C=CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cn1 507826926 XCFLCXYSVILLKR-ZDUSSCGKSA-N 401.510 0.721 30 20 HCED COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c1 509403693 NWJFTLCPEBTDSY-CQSZACIVSA-N 410.496 0.940 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 510201253 QARRHPPQTRSXLY-NSHDSACASA-N 420.479 0.753 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)Nc2cc(C#N)ccc2OC(F)F)n(C)c1=O 524382770 URZBYXVAJBUXLS-UHFFFAOYSA-N 418.360 0.936 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 538099143 PXOIXLRTOVZDHT-UHFFFAOYSA-N 406.442 0.736 30 20 HCED C=CC[C@@H](CO)CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 538188692 VFRMBVAIYOEHJW-MRXNPFEDSA-N 411.524 0.832 30 20 HCED C=CCC(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 551837422 JCFNBQKIKNHBKY-UHFFFAOYSA-N 422.507 0.464 30 20 HCED CN(C)S(=O)(=O)N(C)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 561115376 BCSLTHNKKQFRID-UHFFFAOYSA-N 419.511 0.113 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)C1=O 561759988 LNYOOWCLKJTJHB-ZWKOTPCHSA-N 412.490 0.457 30 20 HCED COC(=O)Cc1cc(Br)ccc1S(=O)(=O)NCC(=O)NCC#N 563919781 FZJXMDIFWNTOGS-UHFFFAOYSA-N 404.242 0.083 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1=CCN(C)CC1 568805687 CNMLRFWCDZFORM-BEFAXECRSA-N 409.490 0.542 30 20 HCED CNC(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 577119258 PCIFYZVAEYOHIR-CQSZACIVSA-N 409.450 0.985 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC=C 577891781 OQOWTZBSWRZBBV-UHFFFAOYSA-N 413.503 0.134 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 579536839 NPYPHEUXNKJBJC-MAUKXSAKSA-N 407.492 0.520 30 20 HCED C[C@@H](C#N)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 582523411 UCDMHGCTCUEIOP-JQWIXIFHSA-N 420.413 0.894 30 20 HCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc12 590285131 BOXVUPXIWSEDKY-UHFFFAOYSA-N 404.434 0.831 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@H]3CCOC3)CC2)CC1 611431441 IPZKLSRPJQYMEA-ZWKOTPCHSA-N 403.552 0.863 30 20 HCED C[C@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)N1C(=O)NC2(CCCC2)C1=O 726735939 RWIBVONLOIBFNX-GFCCVEGCSA-N 404.448 0.757 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 727008515 OMLHICBURNCMAD-UHFFFAOYSA-N 415.427 0.873 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)n(C)c1=O 728346025 ASZDGIFERSPRMB-MRXNPFEDSA-N 422.445 0.518 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730685502 HLNYSMCOHVIXKS-DLBZAZTESA-N 407.492 0.700 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCCC2=O)C1 732151135 IVEKAFUGSCHJLQ-AWEZNQCLSA-N 404.492 0.729 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)N2CCCCC2)CC1 732466196 MVGTXUABTOHTTQ-WUKNDPDISA-N 404.471 0.446 30 20 HCED COCCCn1c(S)nc2cc(C(=O)N(CC#N)CC(=O)OC)ccc2c1=O 737860454 TWDCJAHJWMNENY-UHFFFAOYSA-N 404.448 0.860 30 20 HCED N#Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CC3)cn2)c(F)c1 739670603 KZUGIUZTFMNMRB-UHFFFAOYSA-N 411.440 0.838 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746154680 OFFLINGBGIZICS-ZCXUNETKSA-N 421.498 0.572 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc1 748746698 UBPGVRWJJFECMV-MRXNPFEDSA-N 407.517 0.734 30 20 HCED COCCCNC(=O)CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 748843230 GOYIMOWJTROROI-UHFFFAOYSA-N 410.496 0.116 30 20 HCED CCS(=O)(=O)NCCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 753387073 AODMTSBXZKUXAK-GFCCVEGCSA-N 403.482 0.098 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 757899537 UWOIQLNZZCXIFR-LBPRGKRZSA-N 413.456 0.190 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CCc1nc[nH]n1 759829417 SVYRTOAVWIDZNT-UHFFFAOYSA-N 410.390 0.660 30 20 HCED COC(=O)c1cn([C@H]2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 760531982 JULDTLNSZAGCAC-YWZLYKJASA-N 423.433 0.608 30 20 HCED N#CCCCS(=O)(=O)NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 764792288 XZWFBHMHBGHTCW-UHFFFAOYSA-N 408.480 0.691 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 767770533 GOFHIGJQRPZZKQ-UHFFFAOYSA-N 400.482 0.411 30 20 HCED N#Cc1c(Cl)nsc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 771241163 WEEJHOHGGIFGOH-SECBINFHSA-N 410.930 0.307 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 772082102 ZUJHBBQGXKTKPY-UHFFFAOYSA-N 405.886 0.941 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1COc2c(cccc2OC)C1)c1cc[nH]n1 772199727 LPUISVXGGUGQTJ-CYBMUJFWSA-N 402.407 0.822 30 20 HCED C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 773219110 KSYFHZNQKKBKMW-IRXDYDNUSA-N 421.523 0.013 30 20 HCED N#CCc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 776815753 PJVGJRUYSGOKFW-UHFFFAOYSA-N 416.459 0.520 30 20 HCED Cc1cc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc(S(N)(=O)=O)c1C 782521587 NIWLSVKFGYCHCC-UHFFFAOYSA-N 401.404 0.928 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)n(C)c1 784588507 LHGYSYGZRIRUBV-UHFFFAOYSA-N 404.408 0.252 30 20 HCED N#C[C@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787060058 MNVQWLHDBIQXHR-CQSZACIVSA-N 413.390 0.784 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)[C@H]1CCCO1 787854282 ILEVOTOZABNDRW-PCCBWWKXSA-N 412.534 0.778 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 793937893 QQCJDQBQQWVQKK-JTQLQIEISA-N 404.286 0.797 30 20 HCED Cc1oc(C#N)cc1C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 797887509 MSWSCPPIHPHDTN-UHFFFAOYSA-N 422.397 0.990 30 20 HCED C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 799088848 ZZJCGEOYDPMZAG-UHFFFAOYSA-N 414.281 0.973 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 799286645 IOWQPHRZTOPEBK-INIZCTEOSA-N 421.519 0.497 30 20 HCED CCN(CCC#N)S(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 800009456 TWSRUAUTHGDOBQ-UHFFFAOYSA-N 403.549 0.999 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 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ISTXNDOYFMCCLN-OAQYLSRUSA-N 411.462 0.917 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949688 POQNDCIOBTWGJA-HRAATJIYSA-N 401.463 0.911 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1839171411 UXNZCDUOTICRLA-YCRPNKLZSA-N 416.430 0.040 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1839174107 GBJDVQYIYBPECJ-OAQYLSRUSA-N 417.462 0.661 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839224603 VRZOFZPWHGARDL-KXBFYZLASA-N 407.471 0.291 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839843530 GSYYKCKQBQGXAL-HRAATJIYSA-N 418.494 0.948 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839989330 XANREVRWPIPUEI-NRFANRHFSA-N 423.510 0.771 30 20 HCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840141547 KQZOLXFBGTZLQG-CBGDNZLLSA-N 419.478 0.502 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CCOCC)CCO2)C1 1840524165 SCINBAMWKPQUOE-FQEVSTJZSA-N 412.483 0.379 30 20 HCED COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1F 1840526755 ONTIEHPEHWZLCY-FQEVSTJZSA-N 405.426 0.747 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC[C@@H]4CCOC4)C3)C2)CCC1 1840815977 MHLWSTPNCDFNTE-DYESRHJHSA-N 405.495 0.953 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840937971 SZSSVQDSYOKYBW-HXUWFJFHSA-N 411.568 0.848 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1844158704 LLDVNDZORBYHEU-INIZCTEOSA-N 416.434 0.448 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C1CC1 138972394 JPIBXDWYHDMOSU-FQEVSTJZSA-N 419.503 0.882 30 20 HCED N#Cc1cc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1C(F)(F)F 409529807 QNIGSLPMAKGQOR-UHFFFAOYSA-N 402.354 0.940 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CCO1 410119247 XNECXOUMBZRRGH-CHWSQXEVSA-N 402.423 0.925 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 410136782 UPGYDIMIIXGSNA-MRXNPFEDSA-N 402.517 0.197 30 20 HCED C=C[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 426859676 RQOAZQKXNCXNSW-RBZYPMLTSA-N 409.291 0.780 30 20 HCED C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1c1nccn2cnnc12 433394133 KIOOGCXMYRQHRV-PBHICJAKSA-N 416.445 0.839 30 20 HCED Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1S(C)(=O)=O 446529090 HDQXDUUWODBCIT-UHFFFAOYSA-N 422.507 0.412 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O 467679166 UIKWSEYDYOEYMK-OAHLLOKOSA-N 410.452 0.509 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3CO)ccc21 471025293 KRIPAHDEULRQGE-HZPDHXFCSA-N 400.435 0.162 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1cnn(CC)c1 474329711 OJAWPDHICILMNC-UHFFFAOYSA-N 422.514 0.848 30 20 HCED COc1ncc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1C(N)=O 475200533 ABLGHWGJVMRSLP-UHFFFAOYSA-N 422.445 0.738 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 479882861 GQGMQMSDBGCBDZ-HOCLYGCPSA-N 406.508 0.908 30 20 HCED Cc1nc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 481766234 VJBXAIXMBXMAGN-ZDUSSCGKSA-N 418.479 0.261 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 496131851 YEDAZKJBQLDLMO-MAUKXSAKSA-N 420.535 0.984 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1=O 500332547 RXGAJFGHUWIEGE-HNNXBMFYSA-N 416.434 0.564 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)n1 508357907 CGIUPBSOQJXXRK-UHFFFAOYSA-N 402.374 0.964 30 20 HCED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508917479 JJVDPBADXZXIAE-HNNXBMFYSA-N 411.470 0.555 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 508994247 HSHBLAAUTCARBV-UHFFFAOYSA-N 409.233 0.933 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)n1 513249810 RPQYGDZIALQYLB-LLVKDONJSA-N 405.411 0.515 30 20 HCED CN(C)CCOc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 526097529 PTHGFQWJBCPARR-UHFFFAOYSA-N 413.482 0.834 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2ccc(Cl)c(F)c2)C1=O 534771237 LEWGDXZSOVQDKS-ZDUSSCGKSA-N 411.773 0.786 30 20 HCED CC1(Cn2cc(C(=O)[C@@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)nn2)COC1 546863332 BRNIZVKEGDAZGO-CYBMUJFWSA-N 405.422 0.737 30 20 HCED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 561593907 QHDTZZQEAJHFER-CQSZACIVSA-N 409.494 0.700 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1OC 561939808 UYIMQAQEWOQTMR-UHFFFAOYSA-N 413.438 0.335 30 20 HCED N#Cc1cncc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)c1 563483953 WXWIUYQIZBPILS-UHFFFAOYSA-N 406.898 0.925 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3c(nnc3-c3cccnc3)C2)cc1 574563635 NDBDSFRXONIBCM-UHFFFAOYSA-N 423.458 0.532 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2Cn2cncn2)cc1 575221197 JKCWKTCWEMQPJG-UHFFFAOYSA-N 410.459 0.793 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 575843317 JQRINMJZPWRQBH-UHFFFAOYSA-N 407.477 0.628 30 20 HCED CCc1nnc(O)c(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1CC 578564937 VBUZAEIZUVBIFK-UHFFFAOYSA-N 403.464 0.773 30 20 HCED COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OCC(N)=O 579531730 GDVLTOLBQORRTC-UHFFFAOYSA-N 418.431 0.348 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cc1 581222445 CMQCVKKSMNGEBX-INIZCTEOSA-N 419.507 0.633 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3oc(C4CC4)nc3C#N)CC1)CC2 587363576 YNGODRAEXAEGJO-AWEZNQCLSA-N 424.465 0.103 30 20 HCED Cn1cc(C[C@H]2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 587641941 YCURIELGPPDKLQ-MRXNPFEDSA-N 421.505 0.863 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 589267736 HWDDMTXQVPLINX-UHFFFAOYSA-N 405.480 0.197 30 20 HCED C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609296783 VYXUKAAOESINDA-HNNXBMFYSA-N 401.515 0.891 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 610031852 LTDMDMMYTZBLAG-UHFFFAOYSA-N 421.461 0.472 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 610835362 JFYUYYFIIHNJAO-MRXNPFEDSA-N 411.480 0.917 30 20 HCED COC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 610959195 MDTVNDKHMXDBIG-UHFFFAOYSA-N 422.507 0.770 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCCN(C)S(=O)(=O)N(C)C)c1 731142471 LJOHSXMUHVZZJM-UHFFFAOYSA-N 405.498 0.046 30 20 HCED COC(=O)c1cn(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc12 732911021 WPEGFLFVYPSULS-AWEZNQCLSA-N 417.443 0.394 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 740511297 YMVDUZFMFZUSTP-UHFFFAOYSA-N 411.505 0.557 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 742905648 NNYPTUGGVYWAAM-CQSZACIVSA-N 422.488 0.407 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1ccc(C(N)=O)o1 747222348 YLGABBXCVXRGEW-UHFFFAOYSA-N 424.369 0.915 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)ccc1F 748722246 QEXZEAFPXKXUSJ-CQSZACIVSA-N 410.471 0.920 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cn1C 750619666 CTAJSWRMBRZNMK-YVEFUNNKSA-N 413.500 0.383 30 20 HCED C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 755361942 PSUKTDHMXHLXHH-UFZXGQNFSA-N 409.439 0.878 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2cccc(-n3cnnn3)c2)C1=O 756458974 MTZHDAUDSCNJSK-RTBURBONSA-N 410.438 0.484 30 20 HCED C#CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 758091213 UZKOEIKHFNMOQP-UHFFFAOYSA-N 412.515 0.894 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758776668 ZBYFHUNQJSIEFM-KGLIPLIRSA-N 415.516 0.422 30 20 HCED C#C[C@@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760519050 ZZRLXAFSWJZTIP-PWSUYJOCSA-N 405.398 0.756 30 20 HCED CCOc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCC 771889930 MMTZTYIZCLEHGD-UHFFFAOYSA-N 424.479 0.584 30 20 HCED CN1C(=O)C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 773660207 WUFLJEJMFSREMH-ZDUSSCGKSA-N 406.464 0.159 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 783011844 DJVLOASBHQKMHF-CALCHBBNSA-N 414.572 0.419 30 20 HCED 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OUYKPKWFQUXJEE-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269303 XMGVQXFJGLDUAJ-ZWOKBUDYSA-N 412.552 0.913 30 20 HCED COc1cc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840680298 VCWYAWJIXBBVMK-NRFANRHFSA-N 416.430 0.162 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc(F)c1F 1840705462 OKSBGKGUFHWPBV-FQEVSTJZSA-N 422.384 0.431 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC4CCOCC4)C3)C2)CCC1 1840813025 YZMBIAOYFDUVDX-NRFANRHFSA-N 405.495 0.953 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)Cn2ccncc2=O)C3)c1 1841260674 SIYHOJKPZQLRSJ-UHFFFAOYSA-N 405.458 0.951 30 20 HCED O=C(CN(CCO)CCO)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841263073 WAYJPKSTVWQHGO-UHFFFAOYSA-N 419.909 0.182 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1)C2 1841582158 KXDISSDSDYFTIZ-AWEZNQCLSA-N 404.492 0.703 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1844235688 SGPZLGNRJQQIDO-INIZCTEOSA-N 421.519 0.875 30 20 HCED O=C1NCCn2nc(C(=O)N3CC4(CCCN4C(=O)C/N=C/c4ccco4)C3)cc21 1844313818 MYJCTCKWQQCSIS-UFFVCSGVSA-N 410.434 0.156 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845913534 LCMLNGPVIOFJJH-LXMKPWBVSA-N 413.496 0.296 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1846905261 YZGOXCQQSJUIAC-UHFFFAOYSA-N 417.487 0.158 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1847070537 ZCBQYJFSWWSWLF-CQSZACIVSA-N 406.483 0.195 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CNCP(=O)(O)O)cc1 1847307964 JDWDNEVEFGPBCQ-HOTGVXAUSA-N 406.379 0.027 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCCNC1=NS(=O)(=O)c2ccccc21 9787529 UKTAEKGRMGJCJM-UHFFFAOYSA-N 408.436 0.060 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 97288553 YHWOAOJANFWLIC-IBGZPJMESA-N 406.552 0.600 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 409485721 LDZYVGXJJWYPOE-WMZOPIPTSA-N 409.556 0.591 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCO1 410405861 ZSAONBSKDLIYSB-GOEBONIOSA-N 414.434 0.515 30 20 HCED C=CCCN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 430332631 ZAGDMHULZPXGDR-AWEZNQCLSA-N 411.480 0.405 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c(=O)n2C 436359427 LYTHDLYPHVTSJG-HOTGVXAUSA-N 406.446 0.732 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)C1=O 440259318 SVMMTSJJXXJNQE-INIZCTEOSA-N 422.507 0.940 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 441929924 CJPZFEIQMZIULC-CQSZACIVSA-N 420.491 0.797 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)n2)c(Cl)c1 443257771 QLAYZGTYPBUXRM-AFSSITGASA-N 411.849 1.564 30 20 HCED Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@H]2CO)cn1 447805364 ITCIHZUIZWECMG-UFYCRDLUSA-N 422.489 0.810 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460611751 LODYCAPVQHFCNW-UHFFFAOYSA-N 417.429 1.062 30 20 HCED COC(=O)c1cccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460711083 VVYMYIPKPSRQEG-UHFFFAOYSA-N 418.413 1.489 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1 460730570 VPWKTUZKYWLXEU-IAGOWNOFSA-N 407.478 1.329 30 20 HCED C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 467136577 BGABTUUEQUNFHW-ZJUUUORDSA-N 421.447 0.054 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3nc(C)nc3C2)cc1 475601443 LDTDQXJIGRADQC-UHFFFAOYSA-N 418.479 0.374 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 475740400 QCDJHBYMVHUZOD-UHFFFAOYSA-N 408.524 0.547 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)CS(=O)(=O)CC 481890229 IFEHDTHXOGVYNF-KGLIPLIRSA-N 415.537 0.897 30 20 HCED COCC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 488711584 XQIHPUMLTZTYMD-UHFFFAOYSA-N 420.535 0.750 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cn1 490415253 TXYOUDJDNZYJNX-UHFFFAOYSA-N 411.466 0.030 30 20 HCED CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1 491200144 KWGSCWBYDAKXBQ-UHFFFAOYSA-N 416.459 0.909 30 20 HCED C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CN1CCN(C)CC1 495696830 NWWRRRYHQDLUKW-INIZCTEOSA-N 407.540 0.178 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)c1 500318100 TWDRJFNFTAJGMP-MRXNPFEDSA-N 403.435 0.860 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 506510401 KDPUMOGFPFCOMO-UHFFFAOYSA-N 421.461 0.472 30 20 HCED Cc1cc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)nn1-c1cccc(C#N)c1 508780318 UIOWJHIVOVJWRH-OAHLLOKOSA-N 402.480 0.698 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CC(=O)N(C)C)CC1 510865771 XFGNRBRYAQGZFK-AWEZNQCLSA-N 406.508 0.942 30 20 HCED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C2 511379699 QFIQUWJWCHHCOG-KBPBESRZSA-N 421.479 0.828 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3ccc(C)cc3)CC2)C1=O 513241777 VOBPULJQFLWTAK-UHFFFAOYSA-N 412.446 0.185 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 516809010 RXXYMCSSPPLLQX-UOVPBQLFSA-N 411.458 0.760 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 517496314 KTMPXHUQGZOXOG-UHFFFAOYSA-N 414.491 0.893 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)CC3CCCC3)CC2)C1=O 520754409 TYNLVYYOOBNINS-UHFFFAOYSA-N 404.467 0.604 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](CO)Cc3ccco3)n2)cc1 530921127 TUYVULSJTATHRE-INIZCTEOSA-N 408.418 0.697 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 531706858 CDZWUERBHJCJIV-JGGQBBKZSA-N 413.521 0.697 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 532498272 SRSVQAKUJSMMIA-GOEBONIOSA-N 423.491 0.796 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 537456014 QEUQTPPKZPQMAX-UHFFFAOYSA-N 402.423 0.283 30 20 HCED CC1CCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 545309687 ZSYUUYRRAVGLHU-UHFFFAOYSA-N 404.492 0.650 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 546002282 WGQRSIIBNWIKAU-OAHLLOKOSA-N 413.478 0.660 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)cc1 549331900 NRFWNDWGJDVZFO-UHFFFAOYSA-N 411.389 0.835 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)cc1C 551292768 QLSVDMLITBUGDG-UHFFFAOYSA-N 419.239 1.149 30 20 HCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 551543483 QNXRQWFSYYBWTA-UHFFFAOYSA-N 406.446 0.909 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CCN1Cc1ccccc1 555762790 MJFICTBWUYNFFC-WOJBJXKFSA-N 414.506 0.925 30 20 HCED Fc1cnc(N2CCN(CC#CCN3CCN(c4ncc(F)cn4)CC3)CC2)nc1 556501676 YCWQCSLYYAMSHX-UHFFFAOYSA-N 414.464 0.492 30 20 HCED CN(CC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O)S(=O)(=O)c1ccc(C#N)cc1 560898531 DZGZIFMDVGHORE-QWFCFKBJSA-N 421.519 0.957 30 20 HCED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CC1 561476877 IZXHHDCGOSOAID-UHFFFAOYSA-N 415.512 0.974 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)cc1 565569343 AJYCHFKZYGMLGY-UHFFFAOYSA-N 424.413 0.725 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567138757 WZXHNQOREQRRIG-NVXWUHKLSA-N 411.462 0.297 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 568775853 WEFXAABYLLAKJK-CQSZACIVSA-N 424.448 0.912 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccc(C#N)cc1 579218277 YMAMOVQDAJIHFY-CQSZACIVSA-N 406.446 0.578 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 604196539 ODNSVBZCQJQVJX-UHFFFAOYSA-N 405.466 0.871 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OC)c2ccc(OC)cc2)C1=O 604528159 GUTAXZKFLWICSW-AWEZNQCLSA-N 403.391 0.392 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 609050212 WZUVNJLEWCEHHJ-UHFFFAOYSA-N 405.524 0.809 30 20 HCED CC1CCN(C[C@H](O)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 609710553 YGJAVCRDBIAKPN-QGZVFWFLSA-N 408.524 0.388 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1)c1nn[nH]n1 610859175 IKGWIFGZGGEQGP-LRDDRELGSA-N 411.447 0.644 30 20 HCED C=CC[C@@H](CO)CNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 678763574 FRVTWVODSPZWNG-GFCCVEGCSA-N 403.439 0.486 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C#N)c(Cl)c1 726577090 IDPRNLHBEGGBIS-UHFFFAOYSA-N 424.873 0.407 30 20 HCED CCS(=O)(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726588832 OLNBUQJWIDXNAF-UHFFFAOYSA-N 405.480 0.247 30 20 HCED COC(=O)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCO1 728689091 JWISPVHRWUGDBZ-MPUISCFQSA-N 424.479 0.905 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 730105289 DRTVRLDFLYTFGK-INIZCTEOSA-N 401.492 0.493 30 20 HCED C[C@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)N(CCC#N)c1ccc(F)cc1 733564001 HBWLFQNHMSHGOM-NSHDSACASA-N 404.354 0.425 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O 740235779 IYNLBRRNNOQTFV-CYBMUJFWSA-N 405.794 0.965 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c1 742192796 ITGHCUYNOVBFHU-AWEZNQCLSA-N 406.533 0.847 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 744009310 BRRLNBKYBZSTHO-LLVKDONJSA-N 408.461 0.404 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 745270585 CMARERPWVNUSGS-JTQLQIEISA-N 407.452 0.617 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)c1cn(CC(N)=O)nn1 745469029 RSZOWAMSERDEPD-LLVKDONJSA-N 402.436 0.953 30 20 HCED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 749674078 TWSKEZUGHNGGCI-LJQANCHMSA-N 421.421 0.085 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC#N)CC1 750862434 JFFVYOMWYNDKCM-MRXNPFEDSA-N 403.508 0.952 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 752579715 LJMFBQOKVIFMTP-LBPRGKRZSA-N 405.407 0.612 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 753466075 AWIWUQIOTCXUOK-UHFFFAOYSA-N 417.509 0.030 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 756752768 TUDFAZLQYZKQLS-RYUDHWBXSA-N 405.436 0.529 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 765643167 SISUWNPFQGFLNR-RISCZKNCSA-N 417.534 0.171 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCc2c1cnn2CCO)c1cc[nH]n1 772435005 UHDJAGVRQLSUNL-CYBMUJFWSA-N 404.427 0.076 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)c1 783464616 RNZHRICRKLLLDX-UHFFFAOYSA-N 413.455 0.906 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 783475944 SHRHEFXGXYMGNK-OAHLLOKOSA-N 403.460 0.933 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 784924566 ODIKJWWWEYATFJ-UHFFFAOYSA-N 424.501 0.783 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)nc1 787192780 ZFUUDLSOAQWRDM-UHFFFAOYSA-N 409.450 0.029 30 20 HCED COc1cc(OC)c2c(c1)N(CN1CCN(c3c(C#N)c(C)nn3C)CC1)C(=O)C2=O 788045708 VSNOGTSRKQCWNH-UHFFFAOYSA-N 424.461 0.926 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@H]1CCCO1 793904888 YIXFYNQARKGQPT-QZTJIDSGSA-N 421.519 0.629 30 20 HCED CCOC(=O)C(C)(C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 798636922 KEQNJZZOHJXBPP-GFCCVEGCSA-N 410.448 0.927 30 20 HCED C#C[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)cc1F 804423483 QCJAQGTYULQYFY-CYBMUJFWSA-N 403.801 0.717 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)C2)nc1 815685445 VUIMHMFHNLIEMK-OAHLLOKOSA-N 404.390 0.547 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 815829665 CAYHUIPIAMOCBV-HNNXBMFYSA-N 401.398 0.724 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2ccc(C(=O)NO)cc2)C(=O)C1 816400568 HBTJVJYQLBEZRN-UHFFFAOYSA-N 406.439 0.501 30 20 HCED Cc1ccc(C(=O)NCCCc2nnc(S)n2C)cc1S(=O)(=O)NCC#N 818199355 WGTBTEDCYCOMLN-UHFFFAOYSA-N 408.509 0.577 30 20 HCED CS(=O)(=O)N=S1(=O)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 821300025 PHHYWIBCTPUQDO-MRXNPFEDSA-N 410.521 0.797 30 20 HCED Cn1cc(C=NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(=O)n(C)c1=O 839405962 AYGHSRAHVMCCCU-UHFFFAOYSA-N 417.425 0.914 30 20 HCED CN(C)C(=O)COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 914500432 YUDVDXZXONXRMB-UHFFFAOYSA-N 416.459 0.831 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c(C#N)c1C 914654946 WBBOVQSEHXLCOU-OLZOCXBDSA-N 423.447 0.285 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NCC(=O)N1CCCC1 914995568 NBAIBQMCXMKHIB-UHFFFAOYSA-N 412.450 0.432 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)NCC(F)F 1290865050 JPGVHELQQUAGKO-NSHDSACASA-N 405.413 0.345 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(C#N)c1 1309577415 QCEBMTWXNUIVJN-OAHLLOKOSA-N 414.505 0.829 30 20 HCED COCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1315848276 WGVFMVFYAFQGKD-HUUCEWRRSA-N 404.471 0.401 30 20 HCED C=C[C@@H](COC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1321226215 YOKYWPGZQQUYFH-HNNXBMFYSA-N 413.471 0.609 30 20 HCED CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1324291468 PUYZKCGSVDXLEY-CQSZACIVSA-N 413.521 0.775 30 20 HCED CN1C(=O)NC2(CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)C1=O 1336433422 CYQWJUKJOAFUNP-UHFFFAOYSA-N 418.475 0.920 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCCN1C(=O)NC(C)(C)C1=O 1339131710 UEBFKKKBPPXZLM-UHFFFAOYSA-N 411.466 0.987 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)CC2)cn1 1466295162 WAVMEGRXSZXBKK-INIZCTEOSA-N 415.479 0.863 30 20 HCED CC(C)(CCS(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O 1475345471 IGUGTLBKNJVNDE-AWEZNQCLSA-N 401.510 0.949 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1475620652 OIXHLQDUHUMJLJ-QGZVFWFLSA-N 408.524 0.642 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1521114731 JSPOVBNAINCLON-CRAIPNDOSA-N 409.512 0.809 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)CCO1 1521121286 IZGMBRRNJLMCPZ-AWEZNQCLSA-N 403.443 0.085 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1541880827 SCPJVYJVQAASFS-IXDOHACOSA-N 424.571 0.887 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@@]1(O)CCCOC1 1557628335 OOPIAAZVZPROSA-IFXJQAMLSA-N 409.508 0.909 30 20 HCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)ncc1C#N 1563136679 TYIRIBKANHUYKB-GJZGRUSLSA-N 422.511 0.765 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1619909763 IZNSKDWKMUQFOC-UHFFFAOYSA-N 424.527 0.458 30 20 HCED CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1635063998 LKSZUHXGEHRSBO-ZDUSSCGKSA-N 405.455 0.974 30 20 HCED CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1636306175 NNXMXMCSJCJEIZ-UHFFFAOYSA-N 424.505 0.487 30 20 HCED CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1710300136 PSLBFXFYSJDNCP-FQEVSTJZSA-N 420.537 0.886 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1710898114 ROVJODRVYBBONG-UHFFFAOYSA-N 418.523 0.965 30 20 HCED CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1729022993 LNDCUWRLADOITN-HNNXBMFYSA-N 401.464 0.196 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1742654272 OYLOYRNNIKFSOX-SJCJKPOMSA-N 424.506 0.729 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NC1CCCCC1 1761238377 PZHDXHQXUYGAQA-OAHLLOKOSA-N 403.487 0.594 30 20 HCED Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1761905825 IKYPAYRZMFQQAI-RDTXWAMCSA-N 404.496 0.937 30 20 HCED CN1CC[C@](O)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1769065448 SOFXDMUTNYKJQS-FOIQADDNSA-N 416.457 0.792 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccnc1 1779015049 OVIGJRHZIOTEKX-FXDLTUPKSA-N 402.499 0.746 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1779105804 UWWAHVSLGJGOOU-ILBGQUFFSA-N 409.483 0.772 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccnn1 1779107023 PLNSRZXOZHQZQC-UOGCTUSDSA-N 420.470 0.198 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107736 VSPOMCFLVCUZIQ-ZOMDFEMZSA-N 419.482 0.550 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCc3nc(N)n[nH]3)C2)C1 1779238259 DLHNFUAQZZPRQE-FOIQADDNSA-N 402.499 0.800 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1779259864 ZRRDWYCQIGUXJW-GQIGUUNPSA-N 410.515 0.922 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2C[C@@H](O)C2)CCO3)ccc1F 1781300091 ITPGDABBKQWHCF-LDBYXDLTSA-N 401.438 0.841 30 20 HCED CC(C)CNC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781786968 NTPNZPPOESGRGY-JOCHJYFZSA-N 412.490 0.968 30 20 HCED Cc1nccn1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1782775509 IREDBTKHFXFCHR-MLVQKYMTSA-N 419.482 0.550 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCCS4(=O)=O)C3)C2)cc1 1782958639 HPVUDHAWKOMPOW-PXNSSMCTSA-N 417.487 0.579 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1)C(F)(F)F 1782960966 LNMJBKFYUIWTGH-WFASDCNBSA-N 410.414 0.512 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(-c3cnco3)c1)CCO2 1783563005 LRRGKGVCERVDAR-NRFANRHFSA-N 409.398 0.873 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604501 QSNBKZLZMMVUCU-FCLVOEFKSA-N 412.490 0.592 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OC)CC3)C[C@@H]21 1784493054 IJNZDBYNAHYFFP-ULQDDVLXSA-N 408.495 0.902 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Cn3cncn3)C[C@@H]21 1784503800 IIYBXRWKDADNCB-ZBRFXRBCSA-N 405.499 0.485 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)[C@H]1SC(=N)NC1=O 1785365283 RLGLUOABGDFPDS-XEKQOVJPSA-N 419.507 0.313 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)CSC(=N)N)CCO2 1785378418 BEOKINSBACKDIR-LJQANCHMSA-N 417.491 0.394 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnnc3)[C@H]2C1 1785954897 RDNMOEFFUXXJLM-ULQDDVLXSA-N 400.483 0.352 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4c(s3)CCC4)[C@H]2C1 1786252680 CIMNZHYVORVGFE-KKUMJFAQSA-N 402.472 0.918 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3ccccn3)[C@H]2C1 1788780217 VXOFXEWIGDXSCD-BCYZHJNNSA-N 414.506 0.900 30 20 HCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 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0.825 30 20 HCED N=C(N)SCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783443 RDDKGYXWBCSTOH-JLVBRIDZSA-N 422.551 0.291 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@]2(C)CCCN2)c1 1799218955 ZEKUGTZYZDNIAL-ZRAXVTTISA-N 412.490 0.912 30 20 HCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1ccccc1=O)C2 1800108616 XGILEHUBXDJECW-BJWYYQGGSA-N 401.463 0.996 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C(=O)OCC)CC1 1800366163 IWOFPAUBSUFVQG-SCAQPMJSSA-N 422.478 0.429 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-n3ccnc3)ccn1)C2 1800985668 GSTPVEMWCCQIPB-ZJOBFFGXSA-N 401.492 0.789 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccnc1 1802689169 OSZWHKHQMDLABZ-SQNIBIBYSA-N 415.494 0.788 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)[C@H]3CCC(=O)N3)[C@H]2c2cccnc2)c1 1806820800 ZTNKSCPNMXDBQG-FRQCXROJSA-N 406.446 0.880 30 20 HCED CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 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C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(F)nc3)CCO2)C1 1832839341 WHCSDZUMZSQMJF-IFXJQAMLSA-N 411.499 0.928 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cncnc3)CCO2)C1 1833114646 LDLBPTPOQKKGCI-OXQOHEQNSA-N 404.467 0.067 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c1 1833121359 GMTJOYVJFRRLNX-QFIPXVFZSA-N 421.457 0.661 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cn1 1833435740 DBMAVIPLIFYQQH-ACJLOTCBSA-N 410.496 0.264 30 20 HCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1C 1834581829 RJDWHADFFBXDFF-KUHUBIRLSA-N 409.508 0.787 30 20 HCED COC(=O)CSCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599157 CIASYCDXTKPRQK-UHFFFAOYSA-N 422.551 0.768 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1834755747 BJUNVVJEZTWVDE-NRFANRHFSA-N 422.445 0.522 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5[nH]ccc5n4)C3)C2)CC1 1835342369 YNOZLLJOXWPGQA-OAQYLSRUSA-N 409.446 0.937 30 20 HCED CC(C)n1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n1 1835345343 KRUUODURMFEEBX-HXUWFJFHSA-N 401.467 0.838 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835372621 VPGSPIALNGUKND-QFIPXVFZSA-N 423.554 0.912 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cccc4c3NC(=O)C4=O)CC2)CC1 1835622668 YNJBCEWSNSDZGD-UHFFFAOYSA-N 423.473 0.920 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1837392331 CWNZTJPZBARAIQ-IIBYNOLFSA-N 420.462 0.492 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)cc1 1838949983 IKUBCLCOICJKDF-OAQYLSRUSA-N 409.446 0.525 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436437 SZDZDHKFISXFMM-OAQYLSRUSA-N 424.461 0.641 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1839838899 SMSZDUGCGYNFQO-HRAATJIYSA-N 404.511 0.940 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1840167756 LRVGVPOFBNSNJV-KRWDZBQOSA-N 402.394 0.356 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1840295126 XUXCLNWNPZNLCS-FQEVSTJZSA-N 424.567 0.120 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1841428966 BMTORJXHUJNZAL-HZPDHXFCSA-N 423.510 0.504 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3sccn13)C2 1841601275 JKNCTQVJCXYGSA-ZDUSSCGKSA-N 400.460 0.611 30 20 HCED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)C1 1843007721 CIPYNWGYUSQCJF-UHFFFAOYSA-N 402.414 0.286 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300782 AIKNKJINCKATIB-CRIHDISZSA-N 409.487 0.426 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2CCCC2=O)C3)c(C#N)c1 1845138466 FDNFPIAQNWUEHN-UHFFFAOYSA-N 410.474 0.935 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1 1845485706 IRRJWXSALOXRAC-OAHLLOKOSA-N 404.398 0.579 30 20 HCED Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cnc21 25250437 CUIGIGYGCQXRKG-UHFFFAOYSA-N 404.430 0.451 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC(Oc3cnccn3)CC2)cn1 427380894 AHDKSXZBPAKQMP-UHFFFAOYSA-N 418.417 0.937 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)n1 433682179 HJFVPZVVUVDSHU-UHFFFAOYSA-N 410.434 0.321 30 20 HCED N#Cc1cccc(C2(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)c1 435361207 BOSRHGLYBOIOKT-UHFFFAOYSA-N 418.519 0.747 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](Cc3ccccc3)C(N)=O)n2)c(F)c1 438712899 BYVHEIYJIKSMDZ-MRXNPFEDSA-N 420.404 1.034 30 20 HCED CCO[C@H](CCN(C)C)CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460728375 QBHBYRBEXQVCIQ-MRXNPFEDSA-N 413.482 0.859 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(CC(=O)NC2CC2)CC1 462101945 ASOYMMPUQAVNST-UHFFFAOYSA-N 408.466 0.876 30 20 HCED N#Cc1ccnc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1[N+](=O)[O-] 471057274 WDCXTQBUJUJDKU-UHFFFAOYSA-N 402.455 0.916 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 477667001 NFRNXXNSICJBAT-NJAPINKUSA-N 416.459 0.972 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3cc(CC)ncn3)CC2)C1=O 480146070 NUUFYCVBMDPENJ-UHFFFAOYSA-N 400.439 0.101 30 20 HCED COC(=O)CCc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 482206814 FLKXJZLDKNSPJC-JTQLQIEISA-N 423.476 0.821 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(SC)cc2)c1=O 489179048 MHBTWLCIJOMJKG-UHFFFAOYSA-N 403.529 0.917 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)c2cnc(C)c(C#N)c2)cn1 489829975 LNZITRCOIMKJIS-INIZCTEOSA-N 409.493 0.639 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 491043295 APYNPJDLMHLFGS-UHFFFAOYSA-N 424.885 0.742 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)NCc1ccco1 492561617 QGLWRRVNRCULAL-ZDUSSCGKSA-N 421.417 0.551 30 20 HCED N#Cc1cccc(-c2cnc(CNC(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)[nH]2)c1 493966834 MHWOCXAFIJRDNK-SFHVURJKSA-N 422.489 0.745 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCCOCC 497577051 YMEUYHYBQGEYLL-UHFFFAOYSA-N 404.517 0.598 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1F 502041563 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CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(CC)o2)c1=O 532362508 VOKDSXLNTLEJAM-UHFFFAOYSA-N 401.488 0.883 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)S(C)(=O)=O 532812309 SWSNNCQXRUOICP-VIFPVBQESA-N 407.370 0.987 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n(CCC#N)n1 533318007 XENYFJFDJDIFBO-MRXNPFEDSA-N 415.498 0.199 30 20 HCED C=CC[C@H](CO)CNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 538219728 ULHPGQFOAURKAR-INIZCTEOSA-N 412.508 0.559 30 20 HCED C=CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 540800203 JYYSRWTWUJPBHE-UHFFFAOYSA-N 404.286 0.536 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O 543956634 KQRSIEJMALGEGG-YVEFUNNKSA-N 416.434 0.896 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCOCC(F)(F)F 546600427 QIQCTAGXRIPPCW-UHFFFAOYSA-N 410.356 1.471 30 20 HCED CN(CC(=O)N(CCC(F)(F)F)C[C@H](O)CO)S(=O)(=O)c1ccc(C#N)cc1 553047680 PJUMTSSBVDMCJQ-ZDUSSCGKSA-N 423.413 0.313 30 20 HCED CCOC(=O)CC[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 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HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1F 588373548 FEMHBKHZCQISHV-UHFFFAOYSA-N 408.386 0.999 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2)c1=O 590897830 PRQKOZPDVMOKCG-CYBMUJFWSA-N 401.463 0.889 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 609671230 PUBUAIKKKVCWLJ-WOJBJXKFSA-N 402.458 0.801 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 611293669 APTOZAJJXSYEGM-INIZCTEOSA-N 406.512 0.645 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 617181314 MKAZIRHGJVVLDI-ZBFHGGJFSA-N 405.476 0.577 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1c(C)cc(C)cc1C 679821443 KZIGSDIMFFOZBZ-HOTGVXAUSA-N 409.508 0.154 30 20 HCED N#Cc1cccnc1NCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 732061154 CVOYEECXJCVQAN-KRWDZBQOSA-N 400.483 0.195 30 20 HCED O=C(Cn1c(S)nnc1-c1cccs1)NCCN/C(O)=C1\N=CC=CC1=O 732154088 NTQLLERDWMSBMC-FYWRMAATSA-N 404.477 0.938 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CCOc2ccc(S(N)(=O)=O)cc2)C(N)=O)cc1 734585172 CKCWXDFIMXUCEJ-QGZVFWFLSA-N 403.416 0.744 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cn1cc(S(N)(=O)=O)cn1 748426267 JSUQAJVKDBATNM-GFCCVEGCSA-N 412.493 0.739 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(CCC(N)=O)n2Cc2ccco2)CC1 748652314 ANIPWLQFCNHSDT-UHFFFAOYSA-N 416.507 0.207 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)[C@H](C#N)C1 752002200 MRCHTKBXPRRQHG-UONOGXRCSA-N 411.484 0.978 30 20 HCED COCCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 754747960 HKRRYBBXKLIVCU-VLGSPTGOSA-N 419.525 0.904 30 20 HCED C=C(Cl)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760349610 KRPNYPZNWGYIRJ-LBPRGKRZSA-N 417.871 0.239 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C)cn2)c1=O 761834578 BISCURCQCSXQLH-UHFFFAOYSA-N 412.515 0.822 30 20 HCED C[C@@H]1CC(=NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)NO1 763261395 RBGZYRCVPWVKJZ-CQSZACIVSA-N 408.480 0.538 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2nn(CC)c3ccccc23)c1=O 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C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)OC(C)(C)C)CC2)c1=O 813201018 GOLGDNLXQKJWGD-UHFFFAOYSA-N 407.471 0.054 30 20 HCED Cc1nn(C)c(N)c1C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 814696642 LINRKUPYQYOSFI-UHFFFAOYSA-N 423.455 0.686 30 20 HCED Cc1csc2nc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc(=O)n12 821728045 OEESPTMHEXDNJE-UHFFFAOYSA-N 418.456 0.846 30 20 HCED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@H](OC)C2)nn1 944008462 LJNBYTHMGXAWKZ-KCEFYPGHSA-N 403.483 0.625 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(C=O)n2C)CC1 1116121226 DHGUNJNJXBINNW-UHFFFAOYSA-N 409.284 0.497 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2ccccc2C#N)c1 1319056827 IHOIGPZKADFULV-UHFFFAOYSA-N 409.445 0.859 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)N1CCOCC1 1360646477 PSGNNXLDANWRLH-KKUMJFAQSA-N 413.548 0.347 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)COc2cccc(Br)c2C#N)C1 1448175724 WPALRBSFAAGDTF-UHFFFAOYSA-N 402.270 0.896 30 20 HCED CS(=O)(=O)CC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1505128051 UEBQXKGVLKATMX-YVEFUNNKSA-N 410.475 0.496 30 20 HCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)CC1 1505320260 VRTOUEREPYSYPB-UHFFFAOYSA-N 401.515 0.976 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(C#N)c1Br)c(=O)n2C 1529124513 LBGNDOUOCXGOSX-UHFFFAOYSA-N 417.223 0.707 30 20 HCED CC1(C)CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1541999885 KVGFBLKBLXIANY-KHYOSLBOSA-N 423.539 0.850 30 20 HCED C[C@@H]1CN(Cc2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1641030642 RVPLUYCXJPOLDC-HUUCEWRRSA-N 411.462 0.860 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn1 1650814592 KWCLSSADCIZCPP-IBGZPJMESA-N 406.487 0.761 30 20 HCED CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCCO1 1664305746 ILWRWKUWQREANZ-KBPBESRZSA-N 404.489 0.071 30 20 HCED COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1697803553 SIHWYZLBOMRSHP-OAHLLOKOSA-N 406.487 0.588 30 20 HCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1 1740739518 URFWFWLOCSIHTH-SNVBAGLBSA-N 421.321 0.075 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)n1 1779234801 BQLGZFGXQHRDMJ-KUHUBIRLSA-N 408.524 0.435 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779334153 ZLMOSZGAHLFRKA-WHSLLNHNSA-N 418.494 0.471 30 20 HCED CSc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1O 1780154018 GHNYZEFAARQDRP-LJQANCHMSA-N 404.444 0.646 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1781266833 AVRCBCORHVKPNW-FQEVSTJZSA-N 402.451 0.738 30 20 HCED COCCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n1 1781394999 MZBPZLUPEFCPPF-JXFKEZNVSA-N 421.498 0.774 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1781397961 HRQKGOOMUFZLKP-IIDMSEBBSA-N 415.512 0.194 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2ccncc2=O)C1 1781482238 PSTUWUXBHRTIPL-CBGDNZLLSA-N 418.494 0.348 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2ccnn2)C1 1781548442 SBTNZGMNFBHTHN-BIZBXSGISA-N 419.526 0.926 30 20 HCED Cc1cc(C)n2ccc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2n1 1782579728 VEQSKEVPNTWNQV-NRFANRHFSA-N 410.430 0.483 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1783189481 MIVFBDKUFCRNLO-CZUORRHYSA-N 408.467 0.708 30 20 HCED COc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783561149 HLJFYFBWRRGZKW-NRFANRHFSA-N 400.431 0.546 30 20 HCED COc1c(C)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1783563685 YJVQIDATLATUTQ-OAQYLSRUSA-N 400.431 0.844 30 20 HCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)n1 1783892781 GKUZPZOXFPFUNK-DIFFPNOSSA-N 410.452 0.760 30 20 HCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1784200667 VAVNRNZZPCHIKL-SIKLNZKXSA-N 404.555 0.646 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4ccnc34)C[C@@H]21 1784483825 MUVANUKITAIMLC-NEPXVJNWSA-N 410.474 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CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCS3)cc1 460152520 BSWVODJWDLDAEF-UHFFFAOYSA-N 419.488 0.975 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCOC[C@H]1CCCO1 460586210 QXWQJQFPILNFJT-MRXNPFEDSA-N 412.450 1.088 30 20 HCED COC[C@](C)(C#N)NC(=O)c1cc(C(=O)N[C@@](C)(C#N)COC)cc([N+](=O)[O-])c1 461027608 XAXGZNSNGODIBW-ROUUACIJSA-N 403.395 0.912 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 465460049 SMILXLSGWHXZGL-KBAYOESNSA-N 412.494 0.945 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)C1=O 466500616 WOFBPRBELSEGKQ-OAHLLOKOSA-N 409.454 0.110 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c1C#N 472199091 WBZDUDVOELGOCO-UHFFFAOYSA-N 401.452 0.693 30 20 HCED COc1c(O)nc(O)nc1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 473262064 VQMUOVXCWJOSNX-UHFFFAOYSA-N 412.362 0.978 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 482195173 ZWZWBLPNRCMPIY-AVGNSLFASA-N 401.510 0.505 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 482204250 GRKYDRRRVKWJBL-RDJZCZTQSA-N 420.535 0.842 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 487753255 LPGLPCVHXMAINO-HZPDHXFCSA-N 401.529 0.500 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488276672 FNEOXWLEJIVISH-QZTJIDSGSA-N 414.462 0.615 30 20 HCED Cc1ncc(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 489653854 KVZAZJGMQYLUIQ-HNNXBMFYSA-N 415.435 0.807 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CCC(=O)OC)cc2)CC1 491169312 BDTRQYIDAVOCPQ-UHFFFAOYSA-N 416.478 0.177 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1 493899315 CVFROQHUWBJGMM-OAHLLOKOSA-N 408.480 0.848 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 500061817 UVQMZFJZGRUOFI-UHFFFAOYSA-N 406.508 0.815 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 500791420 HEHLPEKJDNHLPO-UHFFFAOYSA-N 403.439 0.843 30 20 HCED Cc1cccc(NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1C#N 504338906 OITMYELRQQAQQB-LBPRGKRZSA-N 407.473 0.818 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 504365324 SRZFQATWBFMXKG-LBPRGKRZSA-N 423.472 0.518 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506750589 AVXLIAIEMFEUTP-KGLIPLIRSA-N 409.512 0.887 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 507317646 XJUHVOCORJYSOT-CVEARBPZSA-N 410.434 0.792 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCOCC2)CC1 508880059 JRBLORJVVBEIGC-OAHLLOKOSA-N 412.560 0.623 30 20 HCED CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)NCC#N)cc1Br 511028645 JZKINGUEBNHKBA-UHFFFAOYSA-N 403.258 0.634 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cc1 524282003 LDZQSKCDWLUUEH-UHFFFAOYSA-N 413.499 0.912 30 20 HCED COC(=O)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCOCC1 533311206 GFJYGGGFLZOKTQ-UHFFFAOYSA-N 405.455 0.157 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 542075749 WDJBQHCPGBUOPE-JKSUJKDBSA-N 409.450 0.603 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)c1 547917524 LDPNPMVSDMPVIR-UHFFFAOYSA-N 423.472 0.742 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)C1=O 553740978 OKLFMJYYEGWTNM-VHSXEESVSA-N 422.467 0.157 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)C1=O 557175750 BJXCXSCEATVXQO-UXHICEINSA-N 412.534 0.913 30 20 HCED C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 558056826 KGDIHOGYTDWDLD-LZQZEXGQSA-N 411.506 0.716 30 20 HCED N#CCNC(=O)CNC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 561469808 UJSRKVXCXXBONZ-UHFFFAOYSA-N 418.500 0.865 30 20 HCED N#Cc1cnn2ccn(CC(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c12 565800888 UCJFCHAWDWOCRN-UHFFFAOYSA-N 414.447 0.667 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@]2(CCO[C@@H]2C)O1 570860753 CBQZPLPRJHXDEQ-ARGWCVDVSA-N 410.434 0.872 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1 571011116 VGBLQAORKTVUIJ-OAHLLOKOSA-N 405.398 0.998 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 574934935 OAQCZLWDPNXSLC-UHFFFAOYSA-N 414.506 0.634 30 20 HCED CCn1cc(-c2noc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)n2)c(O)nc1=O 576073675 IFEPOZCYBSBXEE-UHFFFAOYSA-N 416.419 0.711 30 20 HCED C=CCOC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O 577945961 AYMONTPRUQCBEO-OAHLLOKOSA-N 413.452 0.485 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 581328949 FCMIGDFCFDHGCL-LLVKDONJSA-N 415.269 0.409 30 20 HCED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588884662 LLBVDQQSFISTFW-DZGCQCFKSA-N 417.466 0.382 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccccn4)c3)CC2)c1 610951688 OLVJEXUCYYSDDD-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 611016598 FHSJKPOOTRTIPV-OAHLLOKOSA-N 407.452 0.569 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C(=O)N1c1cnn(C)c1 611361917 PTNAXJXIUMCODZ-BXUZGUMPSA-N 412.454 0.492 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 685085500 MQFAQMDVLJLBRP-DZGCQCFKSA-N 415.537 0.548 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCOC)c(C)c2)CC1 728590049 TWSOMDIUUIHBHN-UHFFFAOYSA-N 409.508 0.076 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCCNc2ccc(C#N)cn2)CC1 728946999 WXOQNJYDGIHIAL-UHFFFAOYSA-N 416.482 0.808 30 20 HCED COc1cccc([C@@H](O)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 732343585 CGYODZVXSBXERX-GOSISDBHSA-N 414.418 0.789 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)CC1 733148516 BQRRKAKOUKDTJI-OAQYLSRUSA-N 410.518 0.806 30 20 HCED COC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737239404 JTZCCHOADHYCFS-XSFVSMFZSA-N 410.452 0.117 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(c3cnn(C)c3)C2=O)c1 744600392 DNIOTLLXDIWUBN-KRWDZBQOSA-N 416.459 0.684 30 20 HCED C[C@H]1C(=O)Nc2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)ccc2N1C 750708021 JOHUKNGPPMNKLI-AAEUAGOBSA-N 404.448 0.043 30 20 HCED C[C@H](CC(=O)N[C@H](CC(N)=O)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 752709436 XHHNQKMNACSXEC-IUODEOHRSA-N 422.507 0.291 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758354777 QYYMSZGODOBNGI-ZFWWWQNUSA-N 408.503 0.255 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 758762532 TXTCISKVXOMICJ-CHWSQXEVSA-N 401.489 0.032 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c1=O)OCO2 758955367 OZHOGZOGVXRWNQ-GFCCVEGCSA-N 411.439 0.710 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 762056429 LZEQMPFLAYNJML-UHFFFAOYSA-N 417.399 0.770 30 20 HCED CCCCNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628301 QBJIXDQNWLMTFB-GFCCVEGCSA-N 410.452 0.394 30 20 HCED CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767678191 WPYLDIPSRNXHTO-CHWSQXEVSA-N 424.479 0.639 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(N(C)C)cc1C(N)=O)c1cc[nH]n1 772517950 LJAPWWPYDLRMLY-UHFFFAOYSA-N 402.411 0.497 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12)c1cc[nH]n1 772599021 VWZZCTFDFLYRMH-HXUWFJFHSA-N 411.418 0.816 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780929887 GJANEYSYSQEWNT-KRWDZBQOSA-N 402.432 0.255 30 20 HCED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 781540980 JAXHMWAHYPLFCI-IBGZPJMESA-N 405.458 0.829 30 20 HCED COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 782572426 DWNMFHIBSNQNBW-UHFFFAOYSA-N 403.416 0.810 30 20 HCED Cc1cc(F)ccc1-n1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n1 783375945 ASQHWMLDHXLLIF-AWEZNQCLSA-N 404.423 0.899 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)c1 783464568 HVUKEIUYGDHOJI-UHFFFAOYSA-N 408.414 0.486 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 783546752 QVGQSGRALUGPFJ-GOSISDBHSA-N 409.464 0.179 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 783546973 UFGCCNIVJOJTBY-AWEZNQCLSA-N 406.460 0.792 30 20 HCED CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)C(=O)NCCCC#N)cn2)CC1 786410472 AAUQSCLTMYAUMH-UHFFFAOYSA-N 417.470 0.892 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)n1 789794956 POBLWPJAKCAACC-UHFFFAOYSA-N 422.445 0.555 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)n1 796142641 MTWUJDFJDCKDDR-INIZCTEOSA-N 418.479 0.870 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 799026861 PKYKKCYTHTVSCG-ZBFHGGJFSA-N 410.515 0.897 30 20 HCED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 799200684 GWZDVZAIIGPDSJ-UHFFFAOYSA-N 404.492 0.377 30 20 HCED O=c1c(C=NNCCCN2CCOCC2)c(N2CCOCC2)nc2ccccn12 799492919 ZBGYRGQLKKSAFN-UHFFFAOYSA-N 400.483 0.177 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(Br)cnc2C1 801240791 MOTKMLOXEKTVQH-UHFFFAOYSA-N 424.280 0.727 30 20 HCED CN(CC(=O)N1CCN(c2ccc(C#N)nc2)CC1)S(=O)(=O)c1cccnc1 801288288 SJURYIISRNBKTR-UHFFFAOYSA-N 400.464 0.318 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 801525972 VARIUXOGNQYRME-UHFFFAOYSA-N 417.285 0.943 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)c1 808076297 AVNLHAYWDDVXLD-INIZCTEOSA-N 416.503 0.383 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 811300882 NVFUSSMVBSVZIS-UHFFFAOYSA-N 413.502 0.237 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnn(C)c1I 815513887 XOGJBCKIBKYACM-ZETCQYMHSA-N 406.180 0.582 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2OCCOC)cc1 915634122 RBZYDIVLWWDQSZ-UHFFFAOYSA-N 403.460 0.948 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)c1 915786613 GVEKECWFQGCPSM-UHFFFAOYSA-N 416.459 0.763 30 20 HCED CCN1CCN(CC(=O)[C@H](C#N)C(=O)Nc2ccc(OC)c(OC)c2)C(=O)C1=O 916935498 QWHMJUCALZQMLK-ZDUSSCGKSA-N 402.407 0.042 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1136575319 ROHVXTBUBZDCJZ-IAGOWNOFSA-N 403.458 0.492 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CN3CCN2CC3)cc1Br 1188426993 LAUBVEDNTAUSDO-NSHDSACASA-N 403.277 0.738 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1226074512 CMOVLAUWPMJFJY-IBGZPJMESA-N 412.494 0.793 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1314389903 FUJVFDGAWZRKHX-INIZCTEOSA-N 422.555 0.816 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(C)[C@H](C)CC#N 1321728053 XJGRIMSQQIQZRY-KGLIPLIRSA-N 418.516 0.950 30 20 HCED Cc1ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)c(OCCN(C)C)c1 1476201761 PNWSIVMUXSDLMJ-UHFFFAOYSA-N 400.439 0.891 30 20 HCED CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCOC1 1517924851 XWFBBDPKWXACGY-XEZPLFJOSA-N 400.505 0.290 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCn1cccn1 1554505728 ZQOPMZOPUDVAOY-UHFFFAOYSA-N 414.495 0.699 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCOC1 1555555632 XKKIPYNCSMVNRC-LJQANCHMSA-N 415.454 0.443 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1611309048 WYCSOFLRJSXQDL-QLFBSQMISA-N 412.516 0.386 30 20 HCED 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C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1778883522 SSEBUDFNOSAGLP-MAUKXSAKSA-N 415.427 0.310 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1779226634 GHBDUMVUDAAFBD-QRWLVFNGSA-N 421.881 0.982 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COC(=O)C(F)(F)F)C1 1779281447 OOKFOGQPYXUULN-UEKVPHQBSA-N 412.430 0.924 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS[C@H]2CCCCO2)C1 1779410588 JTNJKQKOFSHPDL-UIAACRFSSA-N 424.519 0.848 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)COCCO)C2)C1 1781313211 PDXFLPAXOUTOIQ-HXUWFJFHSA-N 406.866 0.530 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1781372637 YCTKMNDQXHAECF-AVRDEDQJSA-N 410.474 0.817 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1783468458 DTMVULQQUVVIBY-ICDONNSOSA-N 403.479 0.562 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1783684836 GEGCDPGYGYSPDJ-SRVKXCTJSA-N 404.389 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423.473 0.604 30 20 HCED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840522027 WEBDYXGCBXGDGA-QFIPXVFZSA-N 400.475 0.921 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCS2)CCO3)c1 1840577946 JDXRMKHOEAUBLP-VQIMIIECSA-N 404.492 0.852 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)CCO2 1840869000 YZEIRRMMGJYFHW-OAQYLSRUSA-N 421.494 0.333 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccc(-n3cncn3)c1)C2 1841055714 PZDJPSYHUORVJK-FPLPWBNLSA-N 420.473 0.943 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1841599328 VDLXMKNWPXFEFX-OAHLLOKOSA-N 419.503 0.482 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)CN2C(=O)CNC2=O)C1 1841846630 CHDXDUWICLHYAP-UHFFFAOYSA-N 414.849 0.447 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)[C@H]1SC(=N)NC1=O 1844258874 DXZZBDVRPKBWSJ-HYUFQJMUSA-N 420.539 0.464 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H]2CCNC(=O)C2)C3)c(C#N)c1 1845139803 HGQNIFJLYPFXGA-MRXNPFEDSA-N 410.474 0.839 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 28372567 GYIPIPKXGJEECW-CYBMUJFWSA-N 405.455 0.180 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)[C@H](C)C(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410103822 HOQFMIUMPWIIRP-FZDBZEDMSA-N 418.538 0.749 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 429834036 RQLAWEGLEWUTEH-LLVKDONJSA-N 416.477 0.390 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 434820787 HJBULIIZZWTDHZ-OTRWWLKZSA-N 423.473 0.977 30 20 HCED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 435199911 CFCIVAOPDUHNGP-VOJFVSQTSA-N 403.826 0.992 30 20 HCED C=CCOC[C@@H](NC(=O)[C@](C)(O)CN1C(=O)C(C)(C)c2ccccc21)C(=O)OC 435951453 XEJWPKOJSFCZPA-QVKFZJNVSA-N 404.463 0.922 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 436622902 CYLLXFVJKWSXGL-ZDUSSCGKSA-N 403.468 0.945 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCn3ncnc32)CC1 437499195 PEFFWGBYCUSTRO-OAHLLOKOSA-N 415.479 0.701 30 20 HCED C[C@](O)(CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)CN1CCOCC1 442036328 SXYWSZZSPRUSGB-QHCPKHFHSA-N 422.485 0.619 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@]4(CCO[C@@H]4C)C3)CC2)o1 447820292 GIUJSCLHGFZTTE-BXTJHSDWSA-N 403.483 0.772 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)cc1 463344661 KUXUHGXXOUOEBM-UHFFFAOYSA-N 411.505 0.829 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 465201461 WUUIRXBUJAAQDH-AVKRCAIGSA-N 406.446 0.192 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 465352979 LAMCGZRYWBAJMH-CYBMUJFWSA-N 411.480 0.735 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)Cc1ccccc1 467260614 NPGRUQFSHDOBLO-KRWDZBQOSA-N 404.430 1.106 30 20 HCED CCN(C(=O)CN1CCOC[C@@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 471227340 JFOXGQUIZARBGC-HNNXBMFYSA-N 412.450 0.157 30 20 HCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472895172 QDVJWZPWTGQMFJ-UHFFFAOYSA-N 409.450 0.295 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 473937939 NPWHTKSZPXMQDQ-SFHVURJKSA-N 402.411 0.632 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2CCN(CC#N)CC2)c1 474100523 YBIFIZVNZPFGMM-UHFFFAOYSA-N 421.523 0.018 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 477914636 TYPYOYTXQUURKJ-UHFFFAOYSA-N 411.480 0.689 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 479102176 SXJUXNOUVPZGLC-OAHLLOKOSA-N 423.491 0.535 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN2CCOCC2)CC1 480531171 SIKRDOPZTKAJPJ-INIZCTEOSA-N 420.535 0.796 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1=O 480967808 SFSHXUOKJWYHDO-IUODEOHRSA-N 422.463 0.658 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 481807449 LKZWTBCHTZEFCX-RDJZCZTQSA-N 408.524 0.794 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC 481897939 VGCNGXBOIALRCR-KBPBESRZSA-N 415.537 0.897 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 483545800 FSGNAICNGDJOLK-UHFFFAOYSA-N 404.434 0.831 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 488078913 UDWSJXROSYEXLU-NUJGCVRESA-N 402.561 0.802 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)cc1[N+](=O)[O-] 488997986 VNFNATDDXSFULG-LBPRGKRZSA-N 415.427 0.472 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2CC)CC1 489157816 POMLFZRXTSMKOP-UHFFFAOYSA-N 402.545 0.658 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)CC1 490174300 MZKOMEVDQMRDQX-UHFFFAOYSA-N 423.564 0.287 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)ccc2C)CC1 491040750 WMWZCSNGILBIPI-UHFFFAOYSA-N 401.467 0.338 30 20 HCED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491457389 IQQADUUDLQYFMS-UHFFFAOYSA-N 407.858 0.057 30 20 HCED CN(CC(=O)NC[C@H](CO)Cc1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 504303846 JJXXNDHLQOQTRK-QGZVFWFLSA-N 402.476 0.541 30 20 HCED CCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2c(C)cnn2C)c1=O 505691046 ZZYKUNHSAKVSJG-UHFFFAOYSA-N 411.487 0.774 30 20 HCED C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508948768 FOOFQQUDMRBOSO-MRXNPFEDSA-N 410.478 0.807 30 20 HCED Cc1cccc(N(CCC#N)C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c1C 510191492 QQWHFPDCUIQTDA-OAHLLOKOSA-N 420.491 0.905 30 20 HCED CC(C)(CNC(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)N1CCOCC1 513670737 AUAJLBOIMYCXPV-KSFYIVLOSA-N 411.506 0.559 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCCO1 516677194 QCIHWUCJSNCSCS-KRWDZBQOSA-N 414.510 0.219 30 20 HCED CC(C)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 524183423 ICDALSBGTACWQC-KRWDZBQOSA-N 419.507 0.583 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CN2CCN(c3ccccc3)CC2)C1=O 525049514 XVNKXNXLOFMRKH-MRXNPFEDSA-N 413.478 0.290 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCOCC 531130747 VEHUJUYMTOGMAA-UHFFFAOYSA-N 414.512 0.685 30 20 HCED C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 539213021 DSCFIXVCLPDYMZ-ZDUSSCGKSA-N 405.430 0.701 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 542286989 NOQXZSQURBPMOO-UHFFFAOYSA-N 409.402 0.781 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c3ncccc3c2)c(=O)n1C 544077960 GMNASQKDKYVXCC-UHFFFAOYSA-N 408.483 0.569 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 553695564 AZGOBFOXVXDIFP-UHFFFAOYSA-N 416.419 0.471 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCOC[C@@H]3CCCO3)C2=O)cc1 557116819 CZOWFPMYDCRSRF-ZWKOTPCHSA-N 414.462 0.482 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)CCO1 558564933 GJEUGYAVKHIKIQ-INIZCTEOSA-N 418.479 0.323 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 559476746 VSZTXTCOBDXWRB-UHFFFAOYSA-N 412.446 0.365 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)n1 568452032 GATITNOYEFMCPH-UHFFFAOYSA-N 423.477 0.839 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 572745785 MSZWOILEUCMRNG-UHFFFAOYSA-N 401.511 0.355 30 20 HCED C=CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 579175501 RQCKHOVCGJCCMR-KGLIPLIRSA-N 417.509 0.211 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 581387971 UZCKJQJEEVXSIR-UHFFFAOYSA-N 401.402 0.222 30 20 HCED COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654747 RJVULKBGIHKCPS-GOSISDBHSA-N 415.494 0.692 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589334967 GMMDXZHGTMYUKH-GDBMZVCRSA-N 422.507 0.226 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@@H]3C(N)=O)CC2)cc1 609077923 JXMSNDNWYLMGJM-QGZVFWFLSA-N 404.492 0.825 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@@H](C#N)C2)c1 609280357 DZWCWQQPSRGSRQ-HNNXBMFYSA-N 408.480 0.198 30 20 HCED CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 609470411 ABLMMGLNDIAWGC-HNNXBMFYSA-N 409.487 0.953 30 20 HCED N#CCCn1ccc(NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)n1 610325885 GYKISGKICPZQTD-UHFFFAOYSA-N 410.500 0.891 30 20 HCED C=CCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 611637861 YQZMNVJXFHPUSA-CJNGLKHVSA-N 400.522 0.855 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cn2)c1 615305870 AYMVHIDIFJISRH-HNNXBMFYSA-N 415.431 0.573 30 20 HCED N#C[C@]1(F)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 615823359 IADXGUJRTKZAEZ-IVMMDQJWSA-N 401.847 0.928 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(CC#N)c2)C1 619499606 XUPUDDVCLGUWDP-KRWDZBQOSA-N 415.537 0.814 30 20 HCED C=CCCOCCNC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 673538810 QKIQXJIABCLVNU-HNNXBMFYSA-N 401.471 0.166 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)CC1 728570575 FQEZTNWMXDBSOX-QGZVFWFLSA-N 416.522 0.638 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 728570713 LDQHCRWIOWKQOT-SFHVURJKSA-N 413.522 0.217 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 728572639 MQEBTAUREUYYBB-UHFFFAOYSA-N 420.435 0.540 30 20 HCED Cn1cc(N2CC[C@@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 732309563 DTUXDHSZYODGPE-CQSZACIVSA-N 417.447 0.197 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734039543 KURHVJVTSSTAEQ-AWEZNQCLSA-N 423.491 0.655 30 20 HCED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NC(=O)NC1CCCCC1 741343494 UTFVBZXWECTJRW-FRTIYWTKSA-N 406.439 0.993 30 20 HCED C#CCN1CCN(C(=O)CN(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 746499320 HVQYPMDXUQOQJB-UHFFFAOYSA-N 418.542 0.427 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CN2CCN1CC2 747527350 SIGCDEVYFUBMPL-WBVHZDCISA-N 419.551 0.400 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nc3ccccn3c2=O)c1 749504138 AUAKXAQOAIHNAZ-UHFFFAOYSA-N 419.441 0.369 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)NC[C@@H]2C1 752753755 LXCPSZIZLXNLPO-CQSZACIVSA-N 419.507 0.522 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2cccc(S(N)(=O)=O)c2C#N)C1 754993494 MRYWSVQNRNAFQH-ZDUSSCGKSA-N 408.480 0.444 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cnc2n(C)c1=O 762313928 QANBFOFFNCJPAP-KRWDZBQOSA-N 405.414 0.718 30 20 HCED C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)NC1(C#N)CCCCC1 762391375 GJEZSSBMVGJZJV-ZDUSSCGKSA-N 406.464 0.758 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CC1 767308859 KZZKRCNGZFJPLQ-UHFFFAOYSA-N 400.522 0.440 30 20 HCED COC(=O)N1CC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 771076776 OAUPYQAALUKIMM-UHFFFAOYSA-N 408.480 0.852 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C=C)c2)c1=O 772327970 CMUSENAFIISPDZ-UHFFFAOYSA-N 402.439 0.377 30 20 HCED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 772721813 XXMJVRMHWBILJZ-UHFFFAOYSA-N 407.901 0.768 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](O)C2(C)C)c1 778834614 BWERZYPUAMDCEL-RNUICKHDSA-N 422.507 0.714 30 20 HCED COc1ccc(C[C@H](C)C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1OC 781454336 MTUMCAPIVHKQBA-ZFWWWQNUSA-N 408.476 0.848 30 20 HCED 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0.661 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1831207679 XSAABVHBWUXXCC-FQEVSTJZSA-N 401.488 0.854 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831222584 DYWQBROCSQFARG-QFIPXVFZSA-N 416.449 0.801 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1831397618 TZHYEUMAFVZSOT-KUHUBIRLSA-N 420.422 0.031 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1831398725 KAQCQRFXYAMSCA-LAUBAEHRSA-N 418.494 0.064 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccoc3)C2)C1 1831402744 QBELBTOLHAPOOG-UTKZUKDTSA-N 404.463 0.707 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1831433066 FRWPGZDVXCBDMU-FOIQADDNSA-N 405.451 0.448 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1831500238 YPGZAGZOZVOZMN-BXWFABGCSA-N 400.541 0.824 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832150744 LRUJGHKQAWVIOM-XYPHTWIQSA-N 424.416 0.347 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1nnc3ccccc31)CCO2 1832199427 RUZARXGDDXOSFC-JOCHJYFZSA-N 423.473 0.301 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832514127 LSOPVBDVQBTHAO-SQOVAUKPSA-N 422.522 0.280 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1833469778 DHLHGXGUQNMZIU-LJQANCHMSA-N 423.491 0.075 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833552258 OBMFXFUVOYWHPY-UGSOOPFHSA-N 411.842 0.436 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833708509 CKJLQSBRGVFGQY-FQEVSTJZSA-N 406.458 0.741 30 20 HCED Cn1cncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1834328902 VINZXZLYGZDXHR-QFIPXVFZSA-N 423.473 0.870 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1835096786 LMBVJBZRMCRHLU-JOCHJYFZSA-N 406.442 0.598 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)[C@@H](C)CC)CCO2 1835590176 XOMLMGWAZXMBQJ-CUWPLCDZSA-N 411.543 0.799 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682192 BOIPYAOLFNKIBI-DYESRHJHSA-N 406.527 0.937 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835843111 IFHQGNWVOGLPAV-LIRRHRJNSA-N 424.523 0.368 30 20 HCED COCc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1836105625 NRXZPVFHJCJEPF-UHFFFAOYSA-N 416.478 0.434 30 20 HCED N#Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C(O)O)CC3)CC2)ccc1F 1836632695 YOCTVUBSZIXEAR-UHFFFAOYSA-N 419.453 0.549 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccnnc3O)CC2)CC1 1836860382 OTLZWKBWMQBCBS-HNNXBMFYSA-N 416.478 0.833 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5cnccc5[nH]4)CCO3)C2)CC1 1837103076 YZUDXOWNDIBILI-OAQYLSRUSA-N 409.446 0.937 30 20 HCED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838906263 COELJLCKZDYFQA-OAQYLSRUSA-N 415.446 0.581 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839063769 WWDKMBJXYRYPJG-UGKGYDQZSA-N 423.554 0.767 30 20 HCED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)CC1 1839223526 YLHJFKHNKRSWEJ-JXFKEZNVSA-N 411.499 0.670 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1839228919 SNQNRMBDLQHZKP-RELCYYESSA-N 419.482 0.680 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839556180 JHYVBOMXSMOOGQ-BFUOFWGJSA-N 422.482 0.862 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4c(F)cccc4n3)CCO2)C1 1839556182 JHYVBOMXSMOOGQ-ORAYPTAESA-N 422.482 0.862 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839638239 HQALWLRNDZVJTH-JTDSTZFVSA-N 401.573 0.737 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1839763012 NUCSJJUHSGPQSE-HXUWFJFHSA-N 419.478 0.480 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4cc(Cl)ccc34)C2)C1 1839808492 RNZOESRELAJUFS-LJQANCHMSA-N 402.838 0.920 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839840774 LZGFNJRQBFEYSH-DYESRHJHSA-N 406.527 0.937 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1)C(F)(F)F 1839895379 YYRBIASTMAHULU-XJIUQZFPSA-N 404.385 0.454 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840564028 BJAZFQIKGVAZSY-MJGOQNOKSA-N 401.573 0.737 30 20 HCED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813136 GRLVCSVIZZHHFF-OAQYLSRUSA-N 416.478 0.984 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1841052984 LWRUJCSRQPNLCW-KHPPLWFESA-N 424.501 0.820 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844385374 QRIJOUNHGGIWKX-QGZVFWFLSA-N 405.495 0.040 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 10764334 VAJLUGOGRUBCJR-UHFFFAOYSA-N 412.420 0.177 30 20 HCED COCCN1C[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 46356411 VFVRTEFGGRVFQS-AWEZNQCLSA-N 413.434 0.950 30 20 HCED CN(CC(=O)Nc1ccc(S(C)(=O)=O)nc1)S(=O)(=O)c1ccc(C#N)cc1 55367036 UGCGJVQLRFEYNZ-UHFFFAOYSA-N 408.461 0.616 30 20 HCED CC#CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 430260925 HXLWIEFEABTODI-GFCCVEGCSA-N 405.398 0.757 30 20 HCED Cc1nnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)c(C(N)=O)c1C 439580585 JGBQYDTYNLHAAO-UHFFFAOYSA-N 407.434 0.351 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cn1 443169973 FYFAAVIAMUQUNM-AWEZNQCLSA-N 402.432 0.556 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 448425586 KZCUYTLMBOEJGD-ZSDSOXJFSA-N 424.461 1.181 30 20 HCED CC(C)(NS(C)(=O)=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 460755824 FBROUEXCKSYJPS-UHFFFAOYSA-N 404.496 0.703 30 20 HCED N#C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CCN1Cc1ccccc1 469391800 VQRPCGWAUKDWJL-IBGZPJMESA-N 404.474 0.868 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2)o1 472906585 DOVUVFVTVGBOCI-UHFFFAOYSA-N 410.434 0.925 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H](N(C)C)C3)CC2)c1C#N 483430888 OSNRXDDMCYFORU-JKSUJKDBSA-N 401.515 0.238 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3CCN(C(=O)C(=O)N4CCCC4)CC3)C2=O)cc1 485733558 AITATJKXIFVMPL-LJQANCHMSA-N 409.490 0.820 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 486650782 LUWJNBFVOZZELL-HNNXBMFYSA-N 419.500 0.758 30 20 HCED CN(CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncnc2[nH]cnc12 489229643 LSMJIAOYLZCEHC-HNNXBMFYSA-N 404.434 0.578 30 20 HCED Cn1cc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(-c2ccc(C#N)cc2)n1 491168342 QWPGJJLCLFXYCD-UHFFFAOYSA-N 422.489 0.462 30 20 HCED N#Cc1cccc(-c2cnc(CNC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)[nH]2)c1 493912132 WDWNJTMCICCGPQ-LTDCPUDJSA-N 405.414 0.727 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2nc(=O)c3ccccc3[nH]2)CC1 497737493 VNKFPOPTUFQCNA-UHFFFAOYSA-N 423.454 0.941 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 498434924 LUPVKALEAQTIIA-QGZVFWFLSA-N 421.567 0.882 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 505622406 ONQLJZSREMQRSA-DLBZAZTESA-N 416.503 0.242 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(N(C)C)no2)C1 508883618 BYAMGWDVVJQPIY-CHWSQXEVSA-N 424.531 0.907 30 20 HCED C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C(N)=O)C1 508961772 OMLGJZOLELHBMN-HNNXBMFYSA-N 403.439 0.847 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 509010001 GMPLMEYHPPXYFM-IRXDYDNUSA-N 406.531 0.631 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 509425325 MOBAJPMSCIPQGU-AWEZNQCLSA-N 400.526 0.908 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 513125447 FJMLIIIEYIINBQ-CQSZACIVSA-N 401.510 0.305 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCC(C)CC2)cc1 518294458 VDGXBIIXRLQVKM-GOSISDBHSA-N 402.495 0.750 30 20 HCED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2=O 540456416 UNWTVMATOHJQGB-BUXKBTBVSA-N 401.471 0.755 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)c3cc(=O)n4[nH]cnc4n3)c(C#N)c2N)cc1 546809749 BAURFOFDOLOISC-UHFFFAOYSA-N 417.433 0.728 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)O)c(C(F)(F)F)c1 548208000 RJQFGIOASQZBOS-LBPRGKRZSA-N 407.370 0.641 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCn3cnc(C#N)n3)C2)cc1 552326906 FKAHZRPKUAKFOY-OAHLLOKOSA-N 402.480 0.675 30 20 HCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 559987703 YXJHURHDOALPTQ-KRWDZBQOSA-N 418.417 0.856 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 559996315 XGDTVIAJFVNGBU-UHFFFAOYSA-N 402.432 0.778 30 20 HCED CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 562912371 UZXZMYCALOPLSL-UHFFFAOYSA-N 409.450 0.842 30 20 HCED COC(=O)c1ccc(OCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 564466751 MNZZADGHHXJYPA-UHFFFAOYSA-N 417.443 0.818 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 580474701 JNGYTOIDGLWGNW-BHIYHBOVSA-N 400.479 0.533 30 20 HCED C[C@@H](CN1CCOCC1)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581409509 XBGJWRBBTWOJQQ-YJBOKZPZSA-N 413.478 0.942 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCN1CCCc2ccccc21 586844298 VBUBIDFWZPIIPP-UHFFFAOYSA-N 409.494 0.824 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603822746 MAQBRWMGHQHBCM-UHFFFAOYSA-N 424.527 0.927 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CC[C@H]3NC(=O)NC3=O)c(C#N)c2N)cc1 604235776 FCBHPJSQQSSMCL-MRXNPFEDSA-N 409.450 0.672 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 611072584 MASSTVSSBNJWBE-HNNXBMFYSA-N 406.512 0.503 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 614599078 IMEADMDHJVLSRA-UHFFFAOYSA-N 420.535 0.531 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615628464 ATDCFJKVNNNCFL-HXUWFJFHSA-N 417.441 0.485 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 669810995 BMOOPLIKFRCJNB-OAHLLOKOSA-N 408.528 0.704 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577583 SLCFJJKVLLAPIK-UHFFFAOYSA-N 423.479 0.027 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 728913729 GTMPXVIUWHPCNN-CQSZACIVSA-N 423.491 0.387 30 20 HCED COC(=O)c1ccccc1N(C)C(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741342363 NVZGARFUFBQLPN-HNENSFHCSA-N 415.402 0.896 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 746277885 ATFQFYOZRBMSTM-HNAMICAMSA-N 400.395 0.919 30 20 HCED C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 747117659 GRBLQCCAMSGJBE-QWHCGFSZSA-N 401.485 0.455 30 20 HCED C#CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 749873288 DBHLUMUHULQOCQ-UHFFFAOYSA-N 409.468 0.034 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)Cc2nc3ncccn3n2)c1 754779604 OIVHSLZDIDHVQA-UHFFFAOYSA-N 421.236 0.806 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 756771385 WPDBGNLNOHIZKX-RYUDHWBXSA-N 406.447 0.247 30 20 HCED C[C@H](O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 763004772 YJOAWNYTNLXVGB-ZNASEZLDSA-N 406.468 0.783 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1C#N 764690353 YYEWFLZYIDIKSC-GFCCVEGCSA-N 422.463 0.958 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 769640044 FAJRJGRPHRDYAP-UHFFFAOYSA-N 404.448 0.722 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)[C@H]1CCCO1 773058811 UYWSTUCAKGXRBC-ZIAGYGMSSA-N 402.494 0.916 30 20 HCED C#C[C@@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 773547982 JWAGMTKFUSZDHO-CJNGLKHVSA-N 410.452 0.890 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)[C@H]1CCCO1 773796831 ZBQFJLVZMZKKAT-VQTJNVASSA-N 414.506 0.548 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](O)C2(C)C)cc1 778838925 XMQNWYLZMCVRKI-HXUBUPQASA-N 422.507 0.714 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780045614 BGAQARNCCLCQRT-JKSUJKDBSA-N 415.494 0.975 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 782907550 VQJCIUIJCNIRGJ-UHFFFAOYSA-N 402.426 0.851 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 783475870 PGOWPVUVQYEKLT-DZGCQCFKSA-N 420.487 0.996 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 784871037 UVJIZCYYUFIPQB-UHFFFAOYSA-N 418.519 0.817 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC[C@@H]2CCOC2)c1 785150412 CUZGSKSANRILAO-CHOFAJOMSA-N 422.507 0.981 30 20 HCED Cn1ccnc1N1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 793945943 CSYNTFRIMSMMBM-UHFFFAOYSA-N 416.507 0.634 30 20 HCED C=CCN1CC[C@H](N(C)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 799144025 TURYYPIZQAFJMF-HNNXBMFYSA-N 408.480 0.521 30 20 HCED C#CCN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 799201113 XRVYLAFVOKZGSB-HOTGVXAUSA-N 404.492 0.882 30 20 HCED C#CCCS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 808286808 BYHCUUBXEFUCAM-UHFFFAOYSA-N 414.505 0.507 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCCOC)nn2)c1 816682127 PMXVYWOSRQIDJT-UHFFFAOYSA-N 404.448 0.343 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)N=c1cc[nH]cc1I 1116528472 OUKHUWRJKFPVQE-YPKPFQOOSA-N 412.187 0.963 30 20 HCED N#CC[C@@]1(O)CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1212300028 UKBLTLFVSKMBJM-IEBWSBKVSA-N 423.491 0.704 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)CC2=O)cc1 1251519379 NFOFICKUPKUBRI-VQIMIIECSA-N 409.490 0.852 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1301045634 VIHULVITXGJDSI-ZIAGYGMSSA-N 419.935 0.979 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(O)cc1 1303866947 LVSXUMHOSPMZLS-BBRMVZONSA-N 420.495 0.565 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)ccc1F 1320165105 MWWULDBXLZZKMD-UHFFFAOYSA-N 417.462 0.661 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4nn[nH]c4C3)CC2)cc1 1339911270 YNJJUYULSCOJIB-UHFFFAOYSA-N 400.464 0.662 30 20 HCED CC1(C)CNC(=O)[C@@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1473762689 MYPHXKZMSXHLIB-INIZCTEOSA-N 412.450 0.569 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCS(=O)(=O)C1 1492912103 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HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778832533 BFCNUJJJIKIPBL-DYELUZBYSA-N 406.483 0.452 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1778934142 SDIKVVDTQHIUNI-QVKFZJNVSA-N 413.430 0.168 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015329 VMZVMBVVYGOEGQ-DUYDGHCJSA-N 421.542 0.450 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1779069738 WVPCYOSRTGHGEF-JOCHJYFZSA-N 404.507 0.820 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1780604889 HJQKMHXTNVNKML-ZGPJWRFFSA-N 402.495 0.815 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1781042397 XBRWEXKYDDDWHJ-CNNODRBYSA-N 412.490 0.044 30 20 HCED COc1cc(C)c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1783563571 UIXRZOHSFPEECX-OAQYLSRUSA-N 400.431 0.844 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783617154 QCBIBPJJXZCORO-XQQSMPNESA-N 400.435 0.089 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4c(O)nnc34)C[C@@H]21 1784381371 CBVIDQACRJVRGF-XIRDDKMYSA-N 409.446 0.442 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1784383154 SADUWEVPHSPJQY-YLVYSCNESA-N 418.519 0.182 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(Cl)cn3)C[C@@H]21 1784479129 YJYUAOHJUTUIAA-VRKREXBASA-N 406.870 0.762 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1784538403 IIILBKGPPIKFNF-CBGDNZLLSA-N 401.463 0.717 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1784853643 NKBUFQKUNWPYNM-CIBWYJFOSA-N 411.458 0.659 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(O)C(F)(F)F)[C@H]2C1 1784874990 VDZVURIVSQURPI-FVYYAMPBSA-N 422.444 0.853 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ncccn3)[C@H]2C1 1785422160 ONCKVWJAANADHT-QZWWFDLISA-N 403.483 0.800 30 20 HCED 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C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1oc(C)nc1C 1798138654 FFAXZDYZPKVCKK-ZBMGOPDBSA-N 402.451 0.353 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)cn1)C2 1799303829 DRMHZLIXKBDNGY-ZSBFGKGUSA-N 405.426 0.933 30 20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(S(C)(=O)=O)ccc1F)C2 1802022947 GLSWRIKMOOTHML-HBCWATKFSA-N 422.478 0.846 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCSCC1 1802167407 WOMKLADLAWRUNG-OBQJARPKSA-N 407.536 0.578 30 20 HCED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1802693042 GXVDKCDGABHCMH-DNVCBOLYSA-N 409.446 0.562 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1808464401 MPFLVYKKWKFACE-YJBOKZPZSA-N 417.466 0.265 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CSc2nc[nH]n2)[C@H]1c1cccnc1 1813351013 LYKKZYYSOKLWMZ-CXAGYDPISA-N 414.447 0.086 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@@H]1c1cccnc1 1814061015 ZZABJMMJSPTNQY-QFBILLFUSA-N 410.430 0.349 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819956987 OTWOLESRIQDQKM-YXZFXQPTSA-N 400.416 0.855 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822023838 YHNBUBQDAWNKGO-WBVHZDCISA-N 423.514 0.280 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CSCC(=O)O)sc2C1 1826108822 RWDZEKFWHCXJTI-GHMZBOCLSA-N 411.505 0.911 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)CCCC3)C2)C1 1829762709 OBAHFHHNTFUWAG-ICTHTSFCSA-N 419.522 0.882 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1830458356 ATZFRFZGZCVQSW-OAQYLSRUSA-N 424.461 0.379 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831120264 YMGQYWUSBNKNAP-OAQYLSRUSA-N 422.526 0.340 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1831406237 BWJCUCKTLSWPFP-QQUYBBDPSA-N 424.494 0.545 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1831413826 JTWJXNCBDUVLMF-AJTFCVKESA-N 424.538 0.977 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1831490675 IEZOAOUBBVOUGF-OAFZBRQQSA-N 400.541 0.965 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CNC(N)=O)CC1 1832939527 LZLADIPRDUZBKM-INIZCTEOSA-N 408.499 0.784 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C[C@H]3CCCCO3)CC2)CC1 1833683228 CIHJAGFCWMROTC-GOSISDBHSA-N 405.495 0.605 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccn1C)CCO2)C(F)(F)F 1834399755 AHHGBCVCKYXHBM-MRXNPFEDSA-N 402.373 0.609 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C[C@H](NC)C(=O)O)CC2)CC1 1834739454 AXGZVSXLEUNUAD-QAPCUYQASA-N 408.543 0.833 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1835354931 LIGXAVFVRLMHLN-LJQANCHMSA-N 404.492 0.934 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835840389 RSBJCXWJMLLWAS-IBGZPJMESA-N 424.523 0.778 30 20 HCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)cc1 1836345512 CLPXTQXZXWQUOT-OAQYLSRUSA-N 424.461 0.379 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)ccn3)CCO2)C1 1836357614 HCIBCGDAUZAROW-HTAPYJJXSA-N 415.490 0.752 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506282 XRPUWVFMLTWFGQ-LZNRXBQRSA-N 416.522 0.620 30 20 HCED COC(OC)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836788496 CLNFDMKINXNRAW-UHFFFAOYSA-N 424.542 0.886 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCCO5)CCO3)C2)CC1 1836968655 PLCSBBBVCCCRQI-FQEVSTJZSA-N 415.450 0.039 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3=COCC3)C2)C1 1837533686 ZFXMMYUSSRIWAI-RTAJLIBNSA-N 423.466 0.276 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560487 XXTGHDHDQSNOEB-QRKQOGHMSA-N 407.467 0.172 30 20 HCED Cc1ocnc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564290 GICRPIAJQJKMNE-JFOGYLRVSA-N 416.434 0.765 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CCC1 1837567351 FZTFLFVAEGXMJJ-HOGCTVLVSA-N 414.462 0.849 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838161431 LKXVLNYLSZJZKL-LJQANCHMSA-N 408.405 0.980 30 20 HCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)N1C[C@H]2C[C@@H]2C1 1838370489 PAZBJCMOYRLIGV-BRWVUGGUSA-N 417.506 0.413 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838422313 XTQBYKPYZUFOAW-FQEVSTJZSA-N 412.450 0.349 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCc3ncc[nH]3)CC2)CC1 1838774159 PPTRXVUUPVYGDS-UHFFFAOYSA-N 402.451 0.429 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n[nH]1 1838951783 IATXFCMLANAABP-NRFANRHFSA-N 409.446 0.974 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2 1839067909 MLUZPNMCRLDBIM-UGKGYDQZSA-N 405.539 0.978 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413832 WXSWJDZSVKGTTL-IBGZPJMESA-N 418.406 0.674 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839540382 BKNWBSSPSCXPLI-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839711508 XHMAQODMQJENTF-XLIONFOSSA-N 403.483 0.489 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1839809864 PAQMIQFRWZHETM-HXUWFJFHSA-N 401.419 0.535 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106320 JXVKNKVUSHQWGG-LAUBAEHRSA-N 407.511 0.668 30 20 HCED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161838 CBMJJQNDHFERLD-KUHUBIRLSA-N 409.508 0.787 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1840166708 YIPLHTYKIMACRY-NRFANRHFSA-N 407.511 0.409 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1840168744 OQQMWLZUGXYJTN-TZIWHRDSSA-N 408.495 0.834 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1840168811 UBJUTYWRIAACPM-PGRDOPGGSA-N 415.490 0.669 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840407986 APHSEHMTRYKLGS-IBGZPJMESA-N 422.507 0.231 30 20 HCED O=C(NCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)c1ccco1 1844258737 NJICXHGLTXUMCO-LPYMAVHISA-N 401.467 0.685 30 20 HCED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccccc1 1844334292 QNFPSKJQFNKKNO-GOSISDBHSA-N 422.485 0.939 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)N1CCN(C)CC1 1845098867 MTKLCCDUZWFRJU-IBGZPJMESA-N 416.566 0.524 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)OC(C)(C)C 1847264535 BBBQGMMXXSUCKG-KQLNYGGHSA-N 420.510 0.961 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)C1=O 53270398 OGBKTMHSGZHPRV-UHFFFAOYSA-N 411.418 0.637 30 20 HCED CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 55336736 LLRRITFLJMMXSG-SECBINFHSA-N 417.447 0.473 30 20 HCED N#CCN1CCC(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 427792822 AVDQVNPBQYCFTC-UHFFFAOYSA-N 406.508 0.673 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 430372750 SOOFYHXQJVRUTN-OAGGEKHMSA-N 413.482 0.259 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O)C(=O)OC 435949221 KXHGJIKNUGWMST-OAHLLOKOSA-N 413.452 0.491 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 437025024 RBEIXGJGGFTUPI-DNVCBOLYSA-N 417.462 0.554 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 437062849 NVTQGZHLYSSTON-RHSMWYFYSA-N 400.435 0.774 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1C 439477127 JHUGMJUWNHTSLK-UHFFFAOYSA-N 424.440 1.195 30 20 HCED CN1CCN(CCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H](c2ccccc2)C1 444590882 BJHJPBHYLADWGI-IBGZPJMESA-N 423.521 1.230 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2=O)n(C)n1 465290484 ZQGDTPYZZOMLHS-LSDHHAIUSA-N 423.481 0.416 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 474253796 NYVFGSSMGCRDOC-WOJBJXKFSA-N 423.517 0.814 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccccc1F 480670056 LDAJXXQQNLIILV-ZDUSSCGKSA-N 418.450 0.910 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C(=O)OC 481785240 WQKANGKSCCIBJX-YRVVQQKDSA-N 409.483 0.984 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482803874 GEYFKLAPCPFRHZ-TZMCWYRMSA-N 418.479 0.094 30 20 HCED CC[C@@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC)CC1 485116813 MNOMZTXNYJLZMM-ZWKOTPCHSA-N 411.528 0.456 30 20 HCED CCn1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c([N+](=O)[O-])n1 486619916 KCWAMVQWUILCEF-CQSZACIVSA-N 418.435 0.762 30 20 HCED Cc1c(C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nnn1-c1ccn(C)n1 489061165 HPOQWFAXQNBTGL-ZUOKHONESA-N 402.418 0.795 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508872886 KTZKHCSFEHFWLB-DLBZAZTESA-N 404.515 0.337 30 20 HCED COc1cccc(C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1OC 510626538 ACTBSBGGAHCPEK-UHFFFAOYSA-N 413.438 0.335 30 20 HCED C=CCN1CC[C@H](N(C)c2cc(N(C)[C@H]3CCN(CC=C)C3=O)n3ncnc3n2)C1=O 513055476 AGIVNBLPCKBSMZ-HOTGVXAUSA-N 424.509 0.571 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)c1C#N 516353522 YOMZXYUFEXWQOS-UHFFFAOYSA-N 416.492 0.810 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(CC(=O)N(C)C)CC2)c1 521881776 USLFFYRIZYCFIK-UHFFFAOYSA-N 408.524 0.433 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)C1=O 523380203 NVJWBPUVUWOQOT-UHFFFAOYSA-N 416.459 0.791 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 524281068 DZXOTHKMMFUHSW-LBPRGKRZSA-N 411.483 0.448 30 20 HCED N#C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 524403396 CXEVTNXMCQAYND-INIZCTEOSA-N 420.516 0.733 30 20 HCED C=C(C)CN1CCC(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 525462286 HNVKHGVEWUPZNL-UHFFFAOYSA-N 424.571 0.913 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccc(OC)nc1 527030077 JVFHCHHLIHQZHN-UHFFFAOYSA-N 424.486 0.329 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(N)=O 532165075 VMVMBSYHKQLSRY-JTQLQIEISA-N 405.501 0.583 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C 536117788 XVVCEHGSOZAADA-UHFFFAOYSA-N 402.432 0.393 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)cc1 536340015 PTLKETVVBRVBCF-UHFFFAOYSA-N 419.507 0.657 30 20 HCED COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 538268121 BYTSGGBSPHXYAX-MSOLQXFVSA-N 404.442 0.408 30 20 HCED C[C@@H](O)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 538391414 BCXREIMSMOTKDO-APWZRJJASA-N 417.485 0.060 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3N3CCN(C)CC3)no2)C1=O 545708627 JRTDJVVLQGHLES-UHFFFAOYSA-N 410.434 0.965 30 20 HCED CN(CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)S(=O)(=O)c1cccnc1 553242935 DSHPOWITVOLYHU-OAHLLOKOSA-N 401.448 0.649 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)CN1CCOCC1 560884863 QIFCCEBOUAPSFR-AZUAARDMSA-N 413.522 0.307 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(N)=O)cc1Br 563500103 COLNGKLJYFLCLN-UFBFGSQYSA-N 416.253 0.660 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1=O 573329008 CIDGYAYJBXGENB-DLBZAZTESA-N 416.453 0.288 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)CC1 575241655 ZUJZTBATSQUPED-UHFFFAOYSA-N 421.461 0.913 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)c1 577923945 BCKFUTGUPMXNTB-QAPCUYQASA-N 402.432 0.584 30 20 HCED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 584126122 QQQLGWPSSRTRAM-UHFFFAOYSA-N 412.498 0.526 30 20 HCED Cc1cc(C)c(S(=O)(=O)NCCn2cnc(C#N)n2)c(C)c1NS(C)(=O)=O 586774230 OBXDIKVQHBOMGO-UHFFFAOYSA-N 412.497 0.425 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CCN2C1=O 588293912 ZRAGTAGRCVFPNC-DOMZBBRYSA-N 419.463 0.873 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-n4cncn4)nc3)CC2)cc1 600479226 VIWYEOPJWRFOMV-UHFFFAOYSA-N 423.458 0.681 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603793570 ZGNOUBFKRAHERK-UHFFFAOYSA-N 411.483 0.910 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C)C(=O)C3)nnc12 607116352 GYDPBJIHFMLNPP-UHFFFAOYSA-N 412.475 0.623 30 20 HCED Cc1ccc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 610438402 AZCQNGHXGHXCDT-HNNXBMFYSA-N 423.491 0.980 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CCN2C1=O 610584323 VUZMQLLSJIGOIL-MRXNPFEDSA-N 409.450 0.645 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 610808280 SCOYMVJKVXFFKN-SJLPKXTDSA-N 419.551 0.463 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 610838303 XRGGYLLKTRXEGG-CZUORRHYSA-N 411.480 0.650 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 727387588 AEUNDUDYTNOTLV-UHFFFAOYSA-N 418.479 0.429 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)CC1 733149254 BPDUXNXAVIMJIG-HNNXBMFYSA-N 410.540 0.580 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(nnc2C(F)(F)F)C1 739816595 KRQDOBKPIQVRSX-UHFFFAOYSA-N 414.369 0.378 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746566422 LJNQQSNMNSSNED-UHFFFAOYSA-N 411.439 0.943 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 746569776 XFJWGBCDURLWLA-UHFFFAOYSA-N 412.427 0.568 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 747736373 FHGWDFNENKLJDG-UHFFFAOYSA-N 407.492 0.974 30 20 HCED CN(C)c1ccc(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 749655051 LKEZSWOYXUYPBM-FOCLMDBBSA-N 405.842 0.987 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)cc1 749667022 WXQCVOQIGLYZAX-ZEBKQRNQSA-N 422.507 0.858 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C 759689748 CCNOMFBIJZWSSV-QGZVFWFLSA-N 420.535 0.785 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncccc2F)CC1 761530179 RDGAPZCBGDVZGD-UHFFFAOYSA-N 417.466 0.998 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)[C@H](C)O)CC3)ccc2c1=O 766022594 GEPQJDIBJNOVMS-LBPRGKRZSA-N 402.476 0.536 30 20 HCED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 766394694 UQCILPIBRMTCPA-UHFFFAOYSA-N 407.904 0.943 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c4c(nn3C)CCCC4)CC2)o1 767578605 HNJGCLRRCONVHR-UHFFFAOYSA-N 412.450 0.973 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C(N)=O)[nH]n1 769440042 HNAXBCUQOQIKQR-LLVKDONJSA-N 404.452 0.745 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 770348455 ZQBYJUQGKIGTIP-UHFFFAOYSA-N 410.500 0.059 30 20 HCED COC(=O)N1CC(NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 787889552 HONBFLFJKAABPG-UHFFFAOYSA-N 413.434 0.775 30 20 HCED Cn1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 792586910 LAEQPVCACMUJEN-MRXNPFEDSA-N 401.854 0.760 30 20 HCED C#CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 799086180 NABYCFHPWAIAML-KAKTVLCNSA-N 423.516 0.365 30 20 HCED CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 801289651 HQVXEYJSMWFIFU-UHFFFAOYSA-N 415.475 0.872 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 807346051 JBKHGVOEZAIABE-HUUCEWRRSA-N 407.492 0.861 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCC[C@H]2C1 808450442 OGXSNWDDNJSCIQ-UAGQMJEPSA-N 418.519 0.878 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC(=O)CN2CCOCC2=O)cc1Br 809126003 XFOAXJVBGRTROB-UHFFFAOYSA-N 420.216 0.124 30 20 HCED Cc1nnnn1/C(=C/c1cccc(F)c1)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813982626 PDCSGFYHXIXTLO-FRKPEAEDSA-N 413.394 0.891 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)cc1 816774288 SOTROCUVRGFZSY-WMZOPIPTSA-N 402.476 0.982 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 818036345 RLZUZTUEKMFSEY-UHFFFAOYSA-N 408.480 0.916 30 20 HCED Cn1cc(/C=C\C(=O)c2c(O)n(C)c(=O)n(C)c2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 821013195 VRVVZJNTYAGWTC-TWGQIWQCSA-N 411.374 0.994 30 20 HCED CNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cccc(NC(C)=O)c1 914555221 BTKLLSDRGXADOK-OAHLLOKOSA-N 417.491 0.991 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 916870790 NTVOAZKNSDRTHM-AUUYWEPGSA-N 404.398 0.454 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3c(cnn3-c3ccccc3)C2)c1=O 917451190 HRBUSXJWWXVHII-UHFFFAOYSA-N 420.473 0.745 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 919132191 IIWSPYYLRUTEQT-CQSZACIVSA-N 411.480 0.464 30 20 HCED CS(=O)(=O)N1CCc2cc(C(=O)N=C3NS(=O)(=O)c4ccccc43)ccc21 1115866559 ZTNFHYXESDSHAI-UHFFFAOYSA-N 405.457 0.888 30 20 HCED CS(=O)(=O)N1CC[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1234607895 IJMPEIYEBKVJMC-PCKAHOCUSA-N 407.496 0.976 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCS1(=O)=O 1287475762 ZVWMMXFFJRIYJL-QGZVFWFLSA-N 421.571 0.689 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(N=C3NS(=O)(=O)c4ccccc43)cn2)C[C@H](C)O1 1322157219 KUKMKPAFZXAGDI-STQMWFEESA-N 403.464 0.889 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(C(N)=O)cc1 1322629562 UEZKWDIKDOOXOF-CYBMUJFWSA-N 400.460 0.983 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)CC2)cc1 1326998102 WUEWWSHCDRQGMP-WMZOPIPTSA-N 407.492 0.161 30 20 HCED C#CCOCCN(C)CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1336051772 UVYMTWXCXNIPLD-UHFFFAOYSA-N 413.478 0.514 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2CCN(CC(F)F)CC2)cc1 1450596675 KXYANDKANLBOHY-UHFFFAOYSA-N 400.451 0.930 30 20 HCED CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1505102160 OZOBEWZVIZTTGG-MRXNPFEDSA-N 404.496 0.933 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCC1 1510226076 WAZZOZFKYPAWBU-ZIAGYGMSSA-N 412.516 0.312 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1517630762 ZALLGMWJXZXCMF-OAHLLOKOSA-N 401.452 0.095 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(=O)nc1O 1584274875 STXXOWINGXOQQL-UHFFFAOYSA-N 406.402 0.286 30 20 HCED Cc1nnc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)s1 1612524017 KMKZMMUMDRTRCS-AWEZNQCLSA-N 415.527 0.801 30 20 HCED Cc1c(C#N)c(=O)n(Cc2cc(=O)n3cc(Br)ccc3n2)c(=O)n1C 1644133961 UFPZBFQRIYENQO-UHFFFAOYSA-N 402.208 0.546 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H](CS(N)(=O)=O)C1 1666489647 MTQPFGLFDADOHN-VIFPVBQESA-N 408.299 0.620 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1706115893 GQFNCDSUTFLXSK-MRXNPFEDSA-N 401.515 0.611 30 20 HCED CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1S(C)(=O)=O 1750911232 XPNGJNWTOOSDGY-ZIAGYGMSSA-N 411.532 0.579 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)C1 1770731559 NJMCRFJUKDZDRH-GOSISDBHSA-N 424.502 0.667 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccc3nc[nH]c23)C1 1777926887 FVRGVIQDQIRENT-JLTOFOAXSA-N 411.418 0.173 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N(C)C(C)=O)C1 1778102230 YNQRDHYPSVXRQK-RBPRZQKGSA-N 407.511 0.405 30 20 HCED Cn1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(C(F)F)n1 1778361537 YBETYHSABZVVEV-BFUOFWGJSA-N 424.404 0.573 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1779038844 CRAXNPRCLUZAHM-FQEVSTJZSA-N 415.519 0.486 30 20 HCED Nc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)s1 1779137137 HYTHLKLVPOLZLL-PZLICUDBSA-N 403.464 0.881 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780101671 KASABQPWTFSKFZ-LAUBAEHRSA-N 403.479 0.402 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c1 1780168178 FIYFYSDRXRDGGZ-HXUWFJFHSA-N 400.435 0.099 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1780802686 ZLOJBLUCWRVXEC-FRQCXROJSA-N 406.487 0.593 30 20 HCED C[C@@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)N1CCN(C)CC1 1781096830 JJPLMGDPDVAPIQ-LAUBAEHRSA-N 403.527 0.146 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1781263766 DXKPFBRWPVRGLD-OAQYLSRUSA-N 423.510 0.488 30 20 HCED Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294760 CHWXDRFBRPXFIO-HXUWFJFHSA-N 412.425 0.512 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CCC(CO)CC1)C2 1782011227 QCGFFLVWOZKIRS-YPHMPPRQSA-N 406.479 0.387 30 20 HCED CCOC(CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)OCC 1782015521 RDUOTUGQLOXOLQ-FOIQADDNSA-N 410.467 0.378 30 20 HCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCn2ccnn2)C3)CCC1 1783126922 FENNMEODQGSXJG-OXQOHEQNSA-N 400.483 0.876 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)cc1 1783156718 PNVYFXYNXHHTJY-GCJKJVERSA-N 410.474 0.457 30 20 HCED COc1ccc([C@H](C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1783909914 MBMWNKASKMDEDE-CBVHJVASSA-N 414.458 0.866 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(Cl)nc3F)[C@H]2C1 1785490353 WNFHTBNCUSINFP-DRZSPHRISA-N 409.801 0.555 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cc1F 1786369421 CPIKEJQUJVJNBQ-DZKIICNBSA-N 423.466 0.736 30 20 HCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)c(Cl)c1 1790231987 JIDNHJLGBRIXMZ-NOLJZWGESA-N 419.869 0.473 30 20 HCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3cnnn3)[C@H]2C1 1791685533 NOHBGDFDLOXDKF-UBDQQSCGSA-N 402.499 0.982 30 20 HCED CN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1792999220 BNRQFJDCJMOPGL-XMTFNYHQSA-N 405.543 0.342 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncn1-c1ccncc1)C2 1793340336 FLRXJAHDMFSHOQ-LJCCNALRSA-N 423.473 0.509 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CSc1ncccn1)C2 1793355582 LDYJUGJTDDLDPB-PNBKFKSVSA-N 406.508 0.749 30 20 HCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)n1nc(C)ccc1=O)C2 1793569260 YHCIAPGXZDUIBO-ZJPYXAASSA-N 414.506 0.963 30 20 HCED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC#N)c1ccc(F)cc1 1795419875 IFAFUODIIUPRGY-WOUAJJJCSA-N 416.453 0.896 30 20 HCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cccn2)c(C#N)c1 1795870799 NVUBKNGQNJROMA-OPMZPASUSA-N 423.473 0.596 30 20 HCED COCCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](S)C(C)C)C2 1796585219 MINTWVQMHPRNOR-YALNPMBYSA-N 410.540 0.687 30 20 HCED C=CCC(F)(F)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1CCOC 1796588138 UKBHWHYBRJDGQU-MIFYACCESA-N 412.437 0.944 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2c1CC[C@@H]2C 1796968194 VTMCLBQPQXLIEQ-IBTNMTNLSA-N 400.479 0.701 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncc[nH]1)C2 1797817922 BVBUHKODRIPMCN-UHXXWTPBSA-N 419.482 0.461 30 20 HCED C=C(C)CC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)N1CCOCC1)C2 1797919250 BNWHSTJHXBBIGZ-XMTFNYHQSA-N 409.527 0.219 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NC(=O)NCC 1798379684 XCJCXFLNUXOEFE-KFZXCZATSA-N 405.499 0.191 30 20 HCED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1 1798920881 FQLSFKSEGBUBPN-ALXJQNPVSA-N 409.446 0.817 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1CC)C2 1799304856 CIYXOKJZFPXWFW-HGKCTWBKSA-N 418.494 0.924 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1c[nH]c(=O)cn1 1799352997 MQACVLXRAAFIPA-QGJHOOMLSA-N 403.439 0.551 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2sccc2c1O 1800022377 CVZYGRHUAGVUMC-KSPBDQMDSA-N 414.439 0.898 30 20 HCED O=C1C[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/C(=O)c2cccs2)C3)CN1 1800522830 IFQRFPPBLHPYTD-IIGSQSDDSA-N 417.487 0.213 30 20 HCED CC(C)c1nn2ccccc2c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800775815 INFFPXDLJMLWEG-USGNIVHTSA-N 424.457 0.749 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806860725 OKINMYYISHBBPL-UWWQBHOKSA-N 421.523 0.719 30 20 HCED N#CC1(C(=O)N2CCC3(CCCN(C(=O)c4cc5n(n4)CCNC5=O)C3)CC2)CC1 1808819065 KCPSJYCMJATZMM-UHFFFAOYSA-N 410.478 0.775 30 20 HCED CCOc1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nn1 1812877814 PURUZVKKPRPFPM-YWZLYKJASA-N 423.429 0.678 30 20 HCED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1814105504 CBUJIDQBOOODTP-BEFAXECRSA-N 406.446 0.704 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](CC)NC)sc2C1 1815290697 UTAQYBXJLQRNIT-WACGGTQYSA-N 405.524 0.912 30 20 HCED CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1CC1)CC2 1819802384 NKIALTLGGFMCMZ-LBPRGKRZSA-N 405.549 0.953 30 20 HCED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CC[C@H](N)C(N)=O)[nH]n2)c1 1820306412 GULDYWKNGNPATD-SWLSCSKDSA-N 412.454 0.508 30 20 HCED N#Cc1ccc(F)c(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CNC(=N)N)CC3)c1 1823663678 HMYGVXOEAWHDKT-JTQLQIEISA-N 415.454 0.863 30 20 HCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@]2(CCN(C(=O)[C@@H]3C=CCN3)C2)C1 1829263311 UJXKBRVQEPQWPM-WMZHIEFXSA-N 422.485 0.600 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1830059668 IGDQJGZQZNHPMB-FQEVSTJZSA-N 412.450 0.349 30 20 HCED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C1CC1 1830599535 XHLLRUCCDIJDBP-JOCHJYFZSA-N 418.490 0.121 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224897 NKKWMYNNUYAKIQ-HTAPYJJXSA-N 413.474 0.719 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1831397159 VAWYPFGZMRRYBU-BLIXFSHQSA-N 424.494 0.069 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1831406600 ZJAJATWTEAPKFE-FQEVSTJZSA-N 422.482 0.618 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1831426181 KGKPIQHATLDGLJ-YWZLYKJASA-N 407.442 0.882 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1831438236 MVOVGODRLVDBJB-UEXGIBASSA-N 420.510 0.567 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831495623 GAFATZBFTJQTSU-QHQCFHDOSA-N 413.540 0.437 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832571572 QINMILGXDVTJAN-UZLBHIALSA-N 422.482 0.783 30 20 HCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1832772871 ZFIQAIQHJKRNHU-KUHUBIRLSA-N 409.508 0.407 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)CC)CC2)CC1 1833074626 UPXBHROICXZKFB-XFHJGTJQSA-N 406.527 0.187 30 20 HCED CC(C)c1csc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)n1 1833287907 GEIJZRSPMLXPMO-LJQANCHMSA-N 421.475 0.425 30 20 HCED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n1 1834248231 SGNCADLYGCGYQJ-NRFANRHFSA-N 409.446 0.676 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CNC(=O)c3ccco3)CC2)CC1 1834605539 CQCXFLHDOUFVMD-UHFFFAOYSA-N 415.494 0.885 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3)CCO2)C1 1834948296 PGSXURLNPTTXGT-PGRDOPGGSA-N 416.474 0.560 30 20 HCED C[C@@H](CN)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835767693 MJMWVLPYMIMBAE-UBBNLVHISA-N 423.558 0.682 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835985385 MPNWNVCUXDMHAW-UYAOXDASSA-N 424.567 0.764 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc[nH]c5nccc4-5)CCO3)C2)CC1 1836439744 BEIIRKHLMOXECH-OAQYLSRUSA-N 409.446 0.888 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1837010646 FEJCUPSIHOOCDH-NRFANRHFSA-N 409.446 0.213 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837441097 RFUCLCYEYDORHV-VMHRPQTGSA-N 416.482 0.018 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837588556 QDXULQRYMNXJRX-UTKZUKDTSA-N 420.510 0.290 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(N(C)C)ccc1[N+](=O)[O-])CCO2 1838544793 SOWMSNFMNZUMMQ-FQEVSTJZSA-N 416.434 0.364 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1ccnc1 1838732958 GPKCDXVYFQSEBB-MGPUTAFESA-N 412.450 0.414 30 20 HCED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906545 PESRKBKJZHJKON-FQEVSTJZSA-N 410.434 0.071 30 20 HCED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950151 FQVPEVVUKKQCAW-OAQYLSRUSA-N 409.446 0.676 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493880 VPTZXJYZYMIOPT-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)s3)C2)C1 1839809910 SESGTVMVLXXOQF-LJQANCHMSA-N 406.460 0.167 30 20 HCED Cc1ccc(C)c(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044377 GNQLFRXKDRZSCB-QFIPXVFZSA-N 414.458 0.390 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840156695 SNPIOMLDBSASDU-PIGZYNQJSA-N 401.435 0.748 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1840166971 NTVATJBXKJWQJR-LJQANCHMSA-N 419.438 0.051 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4cnccn4)CCO3)C2)CCC1 1840488504 ODVAWGZQFXXTLE-GMKGHPLGSA-N 411.462 0.640 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840813304 RPXGRAQBUYAOAE-HXUWFJFHSA-N 401.467 0.492 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1841258436 NUMVFFNQYPNLTF-INIZCTEOSA-N 409.446 0.292 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1841597889 AQMQIQKKPPXNNW-GJZGRUSLSA-N 409.483 0.114 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1 1843418223 OYBZZZXLUBPGKE-IYNGYCSASA-N 404.492 0.283 30 20 HCED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846561531 LGUILPVBBIFBIW-OAHLLOKOSA-N 409.437 0.872 30 20 HCED CN(CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25710610 QVUQCALYQOUMLM-UHFFFAOYSA-N 424.486 0.794 30 20 HCED CN1CCN(C(=O)CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 46227268 ZZXJIYZRZUQISP-UHFFFAOYSA-N 415.498 0.419 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)NC(C)=O)CC1 57444396 INWJMQMFMVCBGR-LJQANCHMSA-N 402.495 0.189 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 105204345 KHHAWFMHFDWCJE-UHFFFAOYSA-N 413.522 0.953 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1=O 116555417 VKAFIFHVBXHSMN-UHFFFAOYSA-N 409.420 0.025 30 20 HCED C[C@@H]1CN(Cc2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 409598463 OKZSSKVWKLKTOC-MDZRGWNJSA-N 408.524 0.855 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 410145184 KIOSZWSWRVPABX-AAEUAGOBSA-N 414.509 0.956 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)OC 429912277 WCKBHLGPNKZBFJ-LLVKDONJSA-N 400.409 0.049 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432861231 WQFIGRMGEBEZLH-UHFFFAOYSA-N 408.299 0.587 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cc1C#N 435850956 JLWFYUHEZKKPNA-FQEVSTJZSA-N 404.467 0.483 30 20 HCED C=CCOC[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)OC 435950671 SDHIUTZITOYFOZ-HRCADAONSA-N 410.467 0.829 30 20 HCED C[C@H](O)C[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443873550 CLTSKHIDZBZSIG-WMZOPIPTSA-N 420.535 0.626 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O 446583505 SGPKBPUTBRGLSI-LBPRGKRZSA-N 406.345 0.163 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 468069913 RSGAFIOCNPAONN-UHFFFAOYSA-N 406.464 0.615 30 20 HCED CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473938476 FENIOOGOBBPEOW-LJQANCHMSA-N 411.506 0.672 30 20 HCED N#C[C@]1(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCOC1 478646463 PIHCZSNOYACRAC-CQSZACIVSA-N 402.270 0.916 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 480923645 CAIKXHHRAHCQOI-UHFFFAOYSA-N 409.471 0.760 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](CO)[C@H]3CCOC3)CC2)cc1 482686564 WGOIHQRAXULZON-ROUUACIJSA-N 421.519 0.720 30 20 HCED CN1C(=O)C[C@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)[C@@H]1c1ccnn1C 489060904 FIQDRQANJPVLNZ-MZUOZXTGSA-N 418.457 0.812 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 498387432 LYAFRJDJPDKGNO-UHFFFAOYSA-N 401.510 0.822 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2c(C)cnn2C)c1=O 505668204 YISGCNNVSGVBBO-ZDUSSCGKSA-N 403.508 0.016 30 20 HCED N#CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 511905053 IFGLIIGTIFSDQQ-UHFFFAOYSA-N 415.475 0.495 30 20 HCED CC(C)(C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 512802825 PBSNTWMFZRPALF-UHFFFAOYSA-N 421.479 0.583 30 20 HCED CN1CCN(CCCN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 518420096 GELLGXJGPVPOMV-UHFFFAOYSA-N 407.540 0.275 30 20 HCED CC(=O)N1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(C(C)=O)CC3)c2)CC1 519668318 KWOKLUZRTZANAQ-UHFFFAOYSA-N 400.439 0.803 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cnccn2)cc1 527463036 HBKQNTROKRVIIV-UHFFFAOYSA-N 403.464 0.581 30 20 HCED 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401.419 0.794 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc3cnn(C)c3)c2=O)cn1 726180411 IPRANQPCUAQWRM-UHFFFAOYSA-N 410.503 0.967 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795659 RDYGNKSONNZEAP-UHFFFAOYSA-N 401.492 0.115 30 20 HCED O=C(CNC(=O)c1ccccc1OC(F)F)NCCN/C(O)=C1\N=CC=CC1=O 735116913 UGVXMJXQFUKYAJ-BMRADRMJSA-N 408.361 0.660 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(-n4cccn4)ccn3)CC2)o1 736845876 AHBXVIIVWMTCFC-UHFFFAOYSA-N 421.417 0.941 30 20 HCED C#CCSCCNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 740487738 JUFPWVMJMPCSAS-UHFFFAOYSA-N 409.533 0.924 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)O[C@@H]1CCN(C2CCOCC2)C1=O 746899175 JTARHCYKJZOZMF-OAHLLOKOSA-N 421.475 0.438 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)c(C)cc2C)c1=O 758052588 FBYPYIBYUHBJFQ-UHFFFAOYSA-N 421.522 0.830 30 20 HCED C#CCSCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 760367771 LRMQRSZQOFWERU-MRXNPFEDSA-N 411.549 0.698 30 20 HCED CCOCCCN(C[C@H](C)C(=O)O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 767002629 OSDVSMQKITYMSR-ZDUSSCGKSA-N 411.480 0.701 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(F)(F)CO)c1 768333236 KAYFXLRGEKWZRO-FYJGNVAPSA-N 418.422 0.182 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CCC1 771072707 YYHFAZSWSUVFPS-UHFFFAOYSA-N 404.448 0.892 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 773549827 UICNXMNWBNFCMC-MSOLQXFVSA-N 402.476 0.755 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CSCc1cc(=O)n2ccsc2n1 776142940 BTTKYIUAZCRHLJ-UHFFFAOYSA-N 400.507 0.985 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777448246 KQBHEHVHEFZXBA-AWEZNQCLSA-N 410.521 0.646 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)CC1 778614804 PPSJDMBCXWGEJX-CQSZACIVSA-N 405.505 0.959 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1S(=O)(=O)CC 783351588 ZNVRQDDQQIYCJI-UHFFFAOYSA-N 422.912 0.789 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(CC)Cc2ccccc2)C1=O 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402.426 0.758 30 20 HCED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1=O 808542209 GHGVXIOCOCMGOE-OAHLLOKOSA-N 422.445 0.412 30 20 HCED CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 813564426 CIJNJSURXGDTDT-IINYFYTJSA-N 417.491 0.520 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](CC(N)=O)C1 813841822 UQKOCTUKGVLIHE-ZFWWWQNUSA-N 406.508 0.864 30 20 HCED CC(=O)N1CCN(S(=O)(=O)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 813943284 ATRQRRJYTWTPHL-KRWDZBQOSA-N 405.480 0.052 30 20 HCED CCCN1C(=O)C(=NN/C=C2/C(=O)NC(=S)N(CCOC)C2=O)c2ccccc21 814320392 OTPWRSRSGQEUHF-GMVLOJHGSA-N 415.475 0.511 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2(C#N)CCOCC2)cc1 1159207162 JWLAQJSCSYNPKF-UHFFFAOYSA-N 408.480 0.702 30 20 HCED CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1303458347 YRGSDLQJRPQLQT-GDBMZVCRSA-N 409.464 0.454 30 20 HCED N#CCc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1320041587 PZZXUSPQRJKRQE-QGZVFWFLSA-N 413.521 0.568 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1C[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C12CCC2 1475459696 VXSFRSRTOUCWFE-MCIONIFRSA-N 400.501 0.881 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1508423781 IRXQONNWXSZMFT-ILXRZTDVSA-N 412.516 0.243 30 20 HCED CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515302649 GBENLSHLMDMOLW-SFHVURJKSA-N 408.510 0.919 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1517025378 RUDDCJLMZWNZQL-MRXNPFEDSA-N 415.479 0.437 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCC(=O)NC1CC1 1611677926 XTKNVZKWMSHTRH-CYBMUJFWSA-N 423.543 0.687 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC[C@H]2Cc3ccccc3O2)c1=O 1613804736 SGIFZCPCTGXAFB-LJQANCHMSA-N 408.458 0.672 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CC[C@@H](O)C1 1631632376 JZUDUPVTPJANFP-ZBFHGGJFSA-N 408.524 0.467 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1648969085 VPUGXLAGOYFWGP-UHFFFAOYSA-N 403.464 0.790 30 20 HCED 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0.227 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1786857936 GDELWEWLDWDTMV-SZMVWBNQSA-N 416.526 0.604 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496742 VKRZWHRIQKXZIG-PEDHHIEDSA-N 419.507 0.072 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21 1788652604 JFHINUDWKBUYOE-OOCPRULBSA-N 423.495 0.660 30 20 HCED COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676947 ALPDBNGBORPGHZ-QSATVQPDSA-N 405.451 0.631 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1789954948 DVMZUCAKGNQFJW-AJNGGQMLSA-N 413.544 0.784 30 20 HCED CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)COC1 1790743463 DGWZYDSDAKHJGN-ARYLFNEWSA-N 423.510 0.922 30 20 HCED COc1cc(C)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(C)c1 1791078357 WXPICHNZETZYPZ-SZMVWBNQSA-N 414.458 0.993 30 20 HCED 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0.727 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(O)c1 1838888249 XGIPJYVDGMTILN-NRFANRHFSA-N 415.446 0.775 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1OC 1838930783 NCINVMYAYVZBMK-FQEVSTJZSA-N 403.435 0.687 30 20 HCED C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839086836 IRDRFPPWOZFEBB-TYCQWZJGSA-N 406.527 0.771 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1839174399 ZGKNHYIBSVSPCA-HXUWFJFHSA-N 406.435 0.859 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705787 RTPVAFBJBOYQPD-RLFYNMQTSA-N 411.528 0.250 30 20 HCED CCC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)COC1 1839775628 MUTOBAPXDWTGOG-DNVCBOLYSA-N 400.541 0.824 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840163119 DMYJFRCFPPXMJH-AUUYWEPGSA-N 404.492 0.723 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484356 NCAXBHXPLMKNNU-QUOWSDGJSA-N 420.535 0.901 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842809954 PDPRUDDHZZMZFI-ZDUSSCGKSA-N 419.482 0.262 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)C1 1846508054 XNCWELQJWYYASQ-SFHVURJKSA-N 415.515 0.985 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 32831491 GTYGDSVMYOMTBV-GOSISDBHSA-N 421.479 0.710 30 20 HCED C=C[C@H](CO)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 426848396 NTPVRCKQVSOTFV-YPMHNXCESA-N 423.413 0.281 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3nnn(C)n3)nnc12 428521261 ZWPGKIFOBIOMST-UHFFFAOYSA-N 411.451 0.162 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)c1 429066187 VAYRPGRXWCQWGI-UHFFFAOYSA-N 420.433 0.998 30 20 HCED C=CCNC(=O)CS(=O)(=O)c1nnc(N2CCC(C)CC2)n1C[C@H]1CCCO1 429884745 GENNQCJTMQNCPN-OAHLLOKOSA-N 411.528 0.769 30 20 HCED C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 433472997 YGWAIADRWIDUGK-HNNXBMFYSA-N 411.491 0.980 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 437403681 ICVFXBQBRSDCKI-OAHLLOKOSA-N 401.467 0.904 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1=O 440251879 CPVJVQDERNJXIL-OAHLLOKOSA-N 408.480 0.266 30 20 HCED CC#CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 440617311 KXMPCRXEKDMSET-UHFFFAOYSA-N 420.473 0.446 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2n(C)c1=O 465123484 SQYKQGOVSAEQFH-UHFFFAOYSA-N 421.457 0.980 30 20 HCED CCCNc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 468998623 ODPSVOVRHPKMKD-UHFFFAOYSA-N 405.436 0.989 30 20 HCED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471024628 BQZGHHGAJYEKNL-UHFFFAOYSA-N 416.478 0.657 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1C 472199756 OMXCGGXXLYMKBG-UHFFFAOYSA-N 406.468 0.236 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(CS(N)(=O)=O)cc3)CC2)c1C#N 472998402 GVWCFHWBCXETFM-UHFFFAOYSA-N 402.480 0.351 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 478841063 BLPQPAFWZZZCHJ-UHFFFAOYSA-N 413.503 0.384 30 20 HCED COc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccon2)c1=O 480957534 USGUNRBYPIYLNO-UHFFFAOYSA-N 422.466 0.736 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(N2CCCC2)CCOCC1 481789086 OMRGCTWUNHAYPM-MRXNPFEDSA-N 420.535 0.986 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NCc1ccccc1 482108166 YMQWFSZTJGUGLB-HNNXBMFYSA-N 414.487 1.000 30 20 HCED C[C@H]1OCC[C@H]1N(CCO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 485196007 UVXIEBGDNRDEPN-IUODEOHRSA-N 401.398 0.820 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(N4CCNC(=O)C4)ccn3)C2=O)cc1 489186255 HYFUCNUDSFPKIK-SFHVURJKSA-N 418.457 0.420 30 20 HCED CN(CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ncnc2[nH]cnc12 489229644 LSMJIAOYLZCEHC-OAHLLOKOSA-N 404.434 0.578 30 20 HCED CN(CC(=O)NCCCc1nnc2n1CCCC2)S(=O)(=O)c1ccc(C#N)cc1 497684451 SZGCSKXPLREQGC-UHFFFAOYSA-N 416.507 0.856 30 20 HCED COC[C@](C)(CNC(=O)Cc1noc(C)c1C#N)NC(=O)Cc1noc(C)c1C#N 499846815 QMRPITSLNNHJIY-IBGZPJMESA-N 414.422 0.446 30 20 HCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cc2)CC1 506615642 OSTKDMCXPYWLBY-UHFFFAOYSA-N 415.469 0.796 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@](C)(C#N)CCOC)s1 508068538 NPZRHADEGYADGR-AWEZNQCLSA-N 409.555 0.827 30 20 HCED C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508701072 UNSXCPOPMKZSQQ-UHFFFAOYSA-N 418.465 0.948 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 508961966 FCJMWJAYIWXHES-UHFFFAOYSA-N 420.473 0.708 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(F)(C#N)CC2)cc1[C@@]1(C)NC(=O)NC1=O 510371890 BPRFDTNYLUEERG-MRXNPFEDSA-N 410.427 0.766 30 20 HCED N#C[C@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN1Cc1ccccc1 512180931 MIPXSDURLJRZPW-INIZCTEOSA-N 420.516 0.733 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cc2)c1 513601966 BMCKNFPILKRDTK-UHFFFAOYSA-N 407.430 0.837 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CC(N)=O 530317850 YQYIXXXCIXDZJW-UHFFFAOYSA-N 413.499 0.912 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 550772385 GJSHWQNOVZXPMI-UHFFFAOYSA-N 423.473 0.943 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(CC4CC4)CC3)C2=O)cc1 551288332 KKSKIQUSTHKCDR-HXUWFJFHSA-N 423.517 0.766 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 562032322 DEYVMJQKVKYTMG-CYBMUJFWSA-N 424.552 0.974 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)c2ccccc2F)n1 573492823 ORJNZLINYSAQJR-UHFFFAOYSA-N 421.392 0.763 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cc2)ccn1 575168272 GRDWHATXYZYZRX-UHFFFAOYSA-N 408.374 0.352 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 578685520 ZAPRYXHVOJZKDV-UHFFFAOYSA-N 403.468 0.302 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)C2=O)cc1 582628388 LKTZLTQLIHMIMJ-QZTJIDSGSA-N 410.474 0.993 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@@H]2C(N)=O)nnc1-c1cccnc1 610217315 XJQGRXVWJNCKQW-CYBMUJFWSA-N 415.479 0.804 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 618740309 XPOZJXFUVJNHCO-HNNXBMFYSA-N 412.427 0.917 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=S)NCCNS(C)(=O)=O)C1=O 727068138 ZPZFBNCCQMTSPG-HNNXBMFYSA-N 407.562 0.586 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCOCC2)c1 728403927 AVKSFEFQRAERDI-LTGZKZEYSA-N 408.480 0.733 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 728589983 PTXLDWUXTYHZIP-UHFFFAOYSA-N 418.288 0.644 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccc(OC)nc1 732798024 VZSFOAKRBRDGRE-UHFFFAOYSA-N 424.486 0.329 30 20 HCED C[C@H](CC(=O)OCCn1cc([N+](=O)[O-])cn1)/N=C1/NS(=O)(=O)c2ccccc21 748133343 LISZZZGSCQZIPQ-LLVKDONJSA-N 407.408 0.852 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H](C#N)C1 749650925 YXKWSCUDRULDHE-INIZCTEOSA-N 405.499 0.512 30 20 HCED C[C@@H](OC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)NC1(C#N)CCCCC1 750172731 RHPHVJNGMHRWEO-CYBMUJFWSA-N 409.464 0.987 30 20 HCED COC1CCN(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 751059095 VCIRNVBXXBAIMA-AWEZNQCLSA-N 408.524 0.731 30 20 HCED CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ncnc2[nH]cnc12 757590502 POFHECZGOMCWNO-NEPJUHHUSA-N 400.443 0.664 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 761024524 OXYJXKNMPFKDEP-HFCFLWKCSA-N 409.556 0.391 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 761033370 VWPHPGFBDHBFIW-HXUWFJFHSA-N 422.551 0.594 30 20 HCED CC[C@H](O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 764283146 HLWNFXWECPXKNB-IKBYJFNHSA-N 410.496 0.715 30 20 HCED C#CCN(CC)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 764515331 OUGIRZDBIDHFBZ-OAHLLOKOSA-N 420.940 0.903 30 20 HCED C=CCN(CC(=O)OCC)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 765224123 ILHDOWLVYMDVEL-UHFFFAOYSA-N 403.439 0.568 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 765523879 CDVAJMNRGUVFAO-CRAIPNDOSA-N 420.535 0.985 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc(O)c2cnn(C)c2n1 767681848 SJRPILWHMPPSTM-SNVBAGLBSA-N 416.419 0.351 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(F)c(F)cc2F)c1=O 767889616 ATDXRAVPYVIWFO-UHFFFAOYSA-N 413.402 0.398 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc1 777297427 RRHIONADNOQYAT-AWEZNQCLSA-N 404.423 0.983 30 20 HCED Cc1cc(C(F)(F)F)ccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 785457741 REONECIZAZUNET-UHFFFAOYSA-N 404.370 0.724 30 20 HCED C#CCN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 790967402 QQDNDPUYDGZPGK-CQSZACIVSA-N 406.913 0.513 30 20 HCED CN(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C(=O)c1ccc(Br)o1 793201864 UJJQAFIWYHSWJO-UHFFFAOYSA-N 404.242 0.864 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 800076632 SXJBUBXELHHIIU-LSDHHAIUSA-N 403.526 0.979 30 20 HCED COCCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 807434818 DSFREQFOKKTSEI-HKWRFOASSA-N 412.468 0.522 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 814551204 QPOLEORTHKSLCD-CQSZACIVSA-N 402.856 0.263 30 20 HCED N#C[C@@H](C(=O)NC1CC1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916927134 MYKVAQKAUNUUBR-OAHLLOKOSA-N 400.460 0.835 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1c(C)nc(O)nc1O 1005488143 CXHAUGNQKXVLKA-HPCJDURASA-N 402.451 0.578 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1116178941 WPCIDTMXXJIAJN-NRFANRHFSA-N 423.477 0.987 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(=O)N(C)CC1 1166327842 KLEKKSIWMBLPRV-HNNXBMFYSA-N 406.508 0.831 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(S(C)(=O)=O)cn3)CC2)c1C#N 1208069742 QLJRTTSITZNDBW-UHFFFAOYSA-N 403.468 0.753 30 20 HCED CN(C)C(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314640592 RNRMCKGOTXEPOR-KRWDZBQOSA-N 424.509 0.854 30 20 HCED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1470220981 JIYQISHECCVFQO-ZDUSSCGKSA-N 410.500 0.583 30 20 HCED Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CCCS2(=O)=O)cn1 1554330768 RDUXHBDZWNHANB-GOSISDBHSA-N 418.527 0.844 30 20 HCED N#CC[C@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1570695981 YTUNYFPCJGDORE-LBPRGKRZSA-N 408.299 0.666 30 20 HCED CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1585296163 PWVAYPVDPFAYRN-ZDUSSCGKSA-N 405.455 0.972 30 20 HCED Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1612597399 VTCSHMRQQPYIHC-INIZCTEOSA-N 401.496 0.615 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)CCOC1 1616263938 RZCVQEIXHBTKNI-YLJYHZDGSA-N 420.514 0.381 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1619939503 UNVMUYDSJQFMBZ-UHFFFAOYSA-N 407.482 0.762 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)CC1 1641699293 XJGWBKIJPRXYPC-UHFFFAOYSA-N 415.475 0.718 30 20 HCED CC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693914382 CWKDSGJFLIPELS-IIBYNOLFSA-N 424.509 0.983 30 20 HCED CNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1696936920 ZMGGZVSJGZMKGN-JKSUJKDBSA-N 409.450 0.366 30 20 HCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC(N)=O 1705681613 YPQKPOWHXFCDJJ-UWVGGRQHSA-N 423.337 0.497 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705744955 UJOYDZOVHOZAJB-GFCCVEGCSA-N 404.924 0.687 30 20 HCED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1747449403 ZXEREJCLLCRBMK-UHFFFAOYSA-N 409.516 0.080 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCNS(C)(=O)=O 1762609603 YVAAGGIUKZRTEB-UHFFFAOYSA-N 423.930 0.987 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C2 1779329876 FGYYCZZXHLURHZ-GXYOHSSGSA-N 409.527 0.585 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780217855 CBPMAFPWZVMMHJ-CSODHUTKSA-N 421.494 0.868 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1781047071 HYBAEHXZOWQHPO-WIBUTAKZSA-N 424.498 0.647 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781106632 XWXDRYZZTXLDBF-WIYYLYMNSA-N 420.554 0.187 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSCC(=O)O)C1 1782219996 OSTVBKMZFZTHRB-SPYBWZPUSA-N 414.524 0.909 30 20 HCED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1783521537 HXZISMAOHRRXCZ-OBJOEFQTSA-N 415.479 0.687 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1783913594 UHALVRKWVXJAOD-LJQANCHMSA-N 407.492 0.646 30 20 HCED O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CCN1 1784034531 DDUIFSBWMRTPPP-AEWXRJQFSA-N 402.451 0.055 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784611695 MMYDXEUSCGWTGC-IERDGZPVSA-N 403.479 0.611 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cn3c(nc1=O)SCC3)CCO2 1785424631 DWIGFGOJAWVVPV-FQEVSTJZSA-N 416.503 0.135 30 20 HCED N=C(N)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1786804533 ITRZATMSTRDYAH-XIRDDKMYSA-N 417.897 0.154 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(n3)NC(=O)CC4)[C@H]2C1 1787268004 SGJOEYZNQLSVNJ-DSRCVFDASA-N 418.519 0.878 30 20 HCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](COC)NC(C)=O)[C@H]2C1 1788771909 WKKOXJGIKUHMMI-MUGJNUQGSA-N 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531698556 KILYAQZMTMFLER-HIFRSBDPSA-N 405.480 0.241 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccc(OC)nc1 537566511 JJZNZERHLJGNSB-UHFFFAOYSA-N 424.457 0.999 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 548812416 ZSCVLAHGEFIYJO-SFHVURJKSA-N 411.506 0.646 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 550154549 JUQYUIFDLVDSKE-INIZCTEOSA-N 409.490 0.602 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 550523378 RNWCVQUKCZBUFA-UHFFFAOYSA-N 416.522 0.927 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 553967831 XQNHTAWIHROHAL-UHFFFAOYSA-N 423.886 0.519 30 20 HCED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N(C)Cc1ccccc1 561985199 SRWTUWVFSDPHME-OAHLLOKOSA-N 411.510 0.891 30 20 HCED COC(=O)CCN(Cc1ccncc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 563655689 HTBGURKVZXHGNQ-UHFFFAOYSA-N 416.459 0.823 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@]2(CCCOC2)O1 568453800 IISQGMJGIRDNLY-VLIAUNLRSA-N 410.434 0.874 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)cc1C 569752712 DISKQPOHGQQNBS-UHFFFAOYSA-N 407.473 0.936 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCn3cnc(C#N)n3)cc2)C[C@@H](C)O1 573671027 MBKFNJBXFNAVCD-ZIAGYGMSSA-N 418.479 0.378 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)c2cccs2)n1 575792107 PSUYJNJJGMZQDX-UHFFFAOYSA-N 409.431 0.685 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2CC)C1=O 577663292 TVCXTLBMNVSTMW-ZOBUZTSGSA-N 403.483 0.612 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 580474702 JNGYTOIDGLWGNW-NEWSRXKRSA-N 400.479 0.533 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(C)cnn2C)c1=O 583396697 BPMZRKRIQOMJSG-UHFFFAOYSA-N 417.535 0.264 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 584077110 AEEHGKGEFWGZIT-PKOBYXMFSA-N 422.570 0.827 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 589158386 KKYWGOTZOINWJS-JTQLQIEISA-N 405.426 0.792 30 20 HCED C=CC1CCN(C(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 601915779 RTFNRJMXCBGFKF-UHFFFAOYSA-N 421.523 0.526 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 603804253 RERXVVGXFLHKPD-UHFFFAOYSA-N 420.520 0.955 30 20 HCED C=CCOc1ccccc1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 605386486 GJDKCACRHPIKEX-MRXNPFEDSA-N 421.519 0.313 30 20 HCED N#CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 609541545 DZZJCPGNEUETHP-UHFFFAOYSA-N 414.509 0.618 30 20 HCED COCCNS(=O)(=O)c1cccc(CN[C@H](C(N)=O)c2ccc(C#N)cc2)c1 609804453 NRNHHUWYOZVQDT-SFHVURJKSA-N 402.476 0.799 30 20 HCED CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 610149004 JMVRRNSKFNYYEJ-ZDUSSCGKSA-N 424.479 0.414 30 20 HCED CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615627871 IWZXHJXMFZWZRR-QGZVFWFLSA-N 412.443 0.738 30 20 HCED CS(=O)(=O)NC1CC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 619751985 OKTBAAPTKDLQAJ-UHFFFAOYSA-N 408.299 0.679 30 20 HCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCCN(S(C)(=O)=O)CC2)C1=O 725766780 YXLKDZZFOFUWIT-GOSISDBHSA-N 405.480 0.250 30 20 HCED CSc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1 729673653 ZNQWBCYRXOJHKE-UHFFFAOYSA-N 405.526 0.703 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1F 730083805 WMHUGKNFKDPFTG-IRXDYDNUSA-N 411.499 0.961 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CC)c2)c1=O 732561082 GAEJJHDAJSICPF-UHFFFAOYSA-N 417.535 0.580 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C(C)C)c2)c1=O 732796435 FJQBKYWZYULWQT-UHFFFAOYSA-N 403.508 0.363 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 733148517 BRCKMPXOKSVULF-UHFFFAOYSA-N 423.517 0.997 30 20 HCED CC(C)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733156698 MHWQWTKKSABXAK-KRWDZBQOSA-N 421.567 0.503 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(=O)NC2CC2)C1=O 735225064 GKJGFZBIVFVMFN-AWEZNQCLSA-N 404.448 0.762 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 740510296 OPYXGBYUHSPPHR-UHFFFAOYSA-N 411.505 0.129 30 20 HCED C[C@@H](CC(=O)NCCNC(=O)c1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 742513953 ZSARVQBAILHRMQ-LBPRGKRZSA-N 404.448 0.643 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 746531922 IWHHSPIBJNKYLF-UHFFFAOYSA-N 422.353 0.922 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)cc2OCCOC)CC1 747993710 PZOZFISBTHHIMC-UHFFFAOYSA-N 401.463 0.947 30 20 HCED CC(C)OC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 750650567 QOLVUTSJXMQLFR-RCCKNPSSSA-N 424.479 0.506 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 750848685 ZQZAVDAUDYQWQQ-AWEZNQCLSA-N 408.300 0.994 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 753291390 IKAZVDUORWYIGP-LJQANCHMSA-N 407.474 0.830 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(CCC#N)c1ccccc1 756751647 QVXRQFXMOHQZOX-CQSZACIVSA-N 419.463 0.577 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(OC)c2Cl)c1=O 758076321 GGHSZXJZBOUTJE-UHFFFAOYSA-N 417.874 0.463 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCCCC#N)c2)c1=O 758076537 PBZVSRFYCVLVRU-UHFFFAOYSA-N 406.467 0.475 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 758078135 IEVAAIPSHVPLQE-UHFFFAOYSA-N 403.410 0.087 30 20 HCED CCOC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759949115 PEHIXOXTESZZHR-INIZCTEOSA-N 409.464 0.200 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc3ccccc3nc2Cl)c(=O)n(C)c1=O 771890844 ICFANKHMFYQPAZ-UHFFFAOYSA-N 407.839 0.598 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)n(CCC#N)n1 784632512 BJYIDTAKDJWOOL-LBPRGKRZSA-N 402.484 0.867 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)C2CCC2)c1 785999154 HRPMRXZQINTQPU-FXBPSFAMSA-N 422.507 0.811 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 786438193 CKWHHYUYEZBJLJ-LUJYGJGBSA-N 421.454 0.902 30 20 HCED CCOC(=O)CNC(=O)C1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793511312 ISUNISDCNKSNQG-UHFFFAOYSA-N 400.479 0.948 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 798332221 RJPIJQBFWJJFPK-NSHDSACASA-N 420.882 1.000 30 20 HCED C[C@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)n1cnc(C#N)n1 798742368 MJFOSCIBSCMNFR-SNVBAGLBSA-N 400.351 0.373 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)c1 799261152 OXPDOXMQYXFQGH-UHFFFAOYSA-N 406.398 0.717 30 20 HCED COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 805330970 WZZCBJXHBAUMQD-NSHDSACASA-N 410.448 0.815 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1CCCO1 809304349 IMBDWDQDPLNZAE-ROUUACIJSA-N 416.453 0.205 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C#N 809501387 GHWAGOFBZNOBDT-LPHOPBHVSA-N 413.522 0.667 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CN(C(=O)OC(C)(C)C)C1 812284710 ACHMQUFOYPHEDJ-UHFFFAOYSA-N 408.480 0.803 30 20 HCED C#CCN(C)CCCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 818609070 JGKSMCYOTRHCDK-UHFFFAOYSA-N 401.467 0.948 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 852628950 RSVLBPLYMXYZKB-LNSITVRQSA-N 414.867 0.145 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 852995719 RKXTVMBJTWWKEY-GFCCVEGCSA-N 401.448 0.841 30 20 HCED CN1CCN(c2ccccc2NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 915778265 WKNPRCATSLGYQS-UHFFFAOYSA-N 407.478 0.872 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c1 918729976 YBFNKARUDJCRJU-UHFFFAOYSA-N 412.471 0.050 30 20 HCED Cn1c(C=NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)nc2c1c(O)nc(=O)n2C 920370260 SVXLJDBFCIFUTQ-HXUWFJFHSA-N 423.433 0.650 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NCC3(N4CCOCC4)CCOCC3)CC2=O)cc1 1275245962 SKEAMWUMGREJST-SFHVURJKSA-N 412.490 0.909 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncnn1C(C)(C)C 1288171058 WBJKSCAQYHWLCD-CYBMUJFWSA-N 401.475 0.540 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1314530758 RNOQEILBULROCQ-HNNXBMFYSA-N 402.480 0.563 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)nc1 1319830888 DOCLOXBOSJHVLX-APWZRJJASA-N 419.507 0.521 30 20 HCED CCS(=O)(=O)C1CCN(CC#CCN2CCC(S(=O)(=O)CC)CC2)CC1 1323361038 LGJGVIXLGHKMBB-UHFFFAOYSA-N 404.598 0.788 30 20 HCED C[C@H](CC(=O)N[C@@H]1CCc2c(nnn2C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1452495171 JLFUTEBVXNCWPB-VXGBXAGGSA-N 402.480 0.306 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)CC2)cn1 1466295163 WAVMEGRXSZXBKK-MRXNPFEDSA-N 415.479 0.863 30 20 HCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1503368013 NKUAQUPVOHGTRU-MRXNPFEDSA-N 409.450 0.936 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1517577074 OVAXQKIIBOIPCD-UHFFFAOYSA-N 416.507 0.966 30 20 HCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1554399538 MPIHBZWSOUTQTN-LJQANCHMSA-N 416.507 0.824 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1614071381 KTAIUQRIWOMKKQ-AWEZNQCLSA-N 417.420 0.913 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)CCO1 1620355441 JTLXPOQYLAQYFS-GJZGRUSLSA-N 409.512 0.604 30 20 HCED Cc1ccc(S(=O)(=O)C2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1644059798 OMGVEQOKPYFPJE-UHFFFAOYSA-N 416.459 0.594 30 20 HCED Cn1c(=O)c2ccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2n(C)c1=O 1673118385 QUQAPIIORDYFMH-UHFFFAOYSA-N 419.445 0.858 30 20 HCED CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1711508080 OLPVFIPQQLAQBT-CQSZACIVSA-N 404.496 0.933 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCn2ccnn2)cc1 1712880547 LIDSNDTYXKPEKA-UHFFFAOYSA-N 407.438 0.347 30 20 HCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1722782456 OANBTDGUXBPESV-NRFANRHFSA-N 409.494 0.552 30 20 HCED CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1729311409 NNTGFIKBQGBWPT-RDTXWAMCSA-N 408.528 0.789 30 20 HCED Cn1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)n1 1748038697 OPPNGIDXIHLHFO-CQSZACIVSA-N 404.500 0.487 30 20 HCED Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1751691132 XVQUFWGSVPZPQA-QGZVFWFLSA-N 418.523 0.798 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1764565916 UMONUOUPCKRYMR-GOSISDBHSA-N 409.494 0.864 30 20 HCED 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0.644 30 20 HCED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1783540150 QCYUQWBWVKKOOL-QAETUUGQSA-N 408.543 0.551 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)c3ccccc3o1)CCO2 1783556725 UYFXSXLDXXGPHB-OAQYLSRUSA-N 410.382 0.325 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784138426 RQNAOLODKFYYLM-JXSPGEOQSA-N 423.510 0.896 30 20 HCED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1784449162 ODNCYNWUIAVOOY-BZSNNMDCSA-N 419.503 0.586 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnc3C)C[C@@H]21 1784481439 PXFQLDBHSDJYCP-UYKLPWQDSA-N 402.495 0.771 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1784494735 BQCHZBZXWWOPMU-SMDJPQOOSA-N 419.522 0.784 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)O)[C@H]3C2)CC1 1784914880 QBACKFQQROQKAZ-DCAQKATOSA-N 421.347 0.625 30 20 HCED 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C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846399977 IQCUCUJMKUKDRM-UHFFFAOYSA-N 405.373 0.378 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847346377 DHMDIKPXUJMQAY-ILXRZTDVSA-N 407.515 0.980 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 25303492 RJBALNWTUODXEB-SFHVURJKSA-N 410.540 0.697 30 20 HCED Cc1cc([C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc(C)n1 41560583 JJPUDJHISUOZPQ-INIZCTEOSA-N 413.459 0.704 30 20 HCED CC(C)OC/C(N)=N/OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 149042169 XVFIHBHDGRKOKQ-UHFFFAOYSA-N 401.485 0.800 30 20 HCED CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)[C@@H]1CN(Cc2ccccc2)CCO1 409504418 SSDPPRVUJDAQDZ-FHWLQOOXSA-N 408.524 0.725 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCN3C[C@H](C)O[C@H](C)C3)CC2)o1 434706054 LHQUVZDXIVQOOS-IYBDPMFKSA-N 404.515 0.544 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)nn1CCC#N 438778569 XQSIZSXKULUALG-BBWFWOEESA-N 402.499 1.144 30 20 HCED N#Cc1ccccc1S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 443110067 MLQWJHVUJIFGJE-UHFFFAOYSA-N 413.521 0.810 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)n1 443258780 XDTXUCHOEUZMIW-AYJJNYRMSA-N 411.849 1.564 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)ccc1OC(F)(F)F 443306799 XWYSFDJXYVOMCL-UHFFFAOYSA-N 420.369 0.547 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1C1CC1 461361537 NUOWGQIGTJBSRF-UHFFFAOYSA-N 424.482 0.391 30 20 HCED COC(=O)C1(CS(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 462068034 QQVPLFKMOIMVFK-MRXNPFEDSA-N 405.476 0.922 30 20 HCED C[C@@H](C(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21)n1cnc(C#N)n1 467585528 BVMAPFAGWGZDNP-LBPRGKRZSA-N 424.446 0.891 30 20 HCED N#CCN1CCC[C@H](CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 479885270 JPCBHHGUGPFFOX-OAHLLOKOSA-N 422.507 0.478 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 480785308 HCKZYMBVACUMRE-CYBMUJFWSA-N 416.525 0.013 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)C2=O)cc1 486635864 CKFPKIUNBPCCRT-SJLPKXTDSA-N 415.475 0.796 30 20 HCED Cc1ccc(C(=O)NCc2ccccc2S(N)(=O)=O)cc1S(=O)(=O)NCC#N 490953525 IALYFDGIUBTKGB-UHFFFAOYSA-N 422.488 0.374 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 508260892 UYQPRUOKPCHYOZ-AWEZNQCLSA-N 409.512 0.984 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)cc1 510008576 VCYXSIFGZZJYAZ-KRWDZBQOSA-N 409.446 0.935 30 20 HCED C[C@H](C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 510778443 NJDPGHLFNOGUAX-LLVKDONJSA-N 422.326 0.997 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2CC)c1=O 512732393 FEPOJXJVFFBJSS-UHFFFAOYSA-N 417.535 0.582 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C)c2C(=O)OC)CC1 513254070 HLUUPSHGFGRSDG-UHFFFAOYSA-N 402.451 0.167 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C[C@]12C(=O)Nc1ccccc12 514003179 INXRMEKULTZTMS-MCFFVMPBSA-N 424.505 0.629 30 20 HCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 516011767 NNDGZMWZMSCXAK-UHFFFAOYSA-N 406.446 0.909 30 20 HCED CN(C)C(=O)c1cccc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 518265345 OLKNHOKHCBWONH-UHFFFAOYSA-N 414.487 0.897 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 522382232 LRADPKGXWJQSNE-UHFFFAOYSA-N 422.514 0.310 30 20 HCED CNCCCc1[nH]nc(NC(=O)CCNS(=O)(=O)c2ccccc2F)c1C#N 534791236 QWFOJPWICZSPIF-UHFFFAOYSA-N 408.459 0.880 30 20 HCED C=CCn1c(Cc2noc(-c3cccc(-n4cnnn4)c3)n2)nnc1N1CCOCC1 544256786 IHFRGZNVJLBUGP-UHFFFAOYSA-N 420.437 0.917 30 20 HCED CC(C)(C)c1csc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCO)c2)c1C#N 550546796 JWHXAQJXEUPRNA-UHFFFAOYSA-N 418.479 0.799 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 554093895 ZFHUYQXZKPLIKT-ZGOJQLDESA-N 424.461 0.479 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCc4ccccc4C3)CC2)c1C#N 555720597 WBGHZVOEIROTJD-SFHVURJKSA-N 406.490 0.923 30 20 HCED C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 558993766 ISIKNZCJXFAQHR-ZDUSSCGKSA-N 404.496 0.797 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCO[C@H]2c2ccccc2)CC1 568434383 XFRDCYKXELRVIJ-HKUYNNGSSA-N 400.479 0.079 30 20 HCED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 579029068 LOFXXFSOATXCPW-QRCCNBFVSA-N 403.439 1.189 30 20 HCED C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 580489392 HYSCCXHELIZMRM-UONOGXRCSA-N 409.450 0.983 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)cc1 588765304 CHJFGBTYGWDCQG-FQEVSTJZSA-N 418.501 0.993 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 594743257 GAQHDKKDGOVQCL-GASCZTMLSA-N 408.524 0.841 30 20 HCED CC(C)(CNC(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CCOCC1 603590750 ZVSKBMHCWQWMNB-UHFFFAOYSA-N 416.526 0.773 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 617511435 NHBQNHKYJDMTFK-UHFFFAOYSA-N 409.516 0.054 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 642188729 CRQFBRFPWPYIPS-BZSNNMDCSA-N 416.588 0.771 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(COc3ccc(F)cc3)no2)C1=O 726043528 XDDQIFWQGRYVFD-UHFFFAOYSA-N 418.337 0.808 30 20 HCED CN1C(=O)c2ccc(NC(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)cc2C1=O 727008501 OCXVVOJSTRWXQK-UHFFFAOYSA-N 420.381 0.696 30 20 HCED N#Cc1cc(F)ccc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 728569239 BUJJSCWJTONJDQ-INIZCTEOSA-N 401.485 0.332 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cocn2)c1 730916697 AKRHEAOSPQHTKP-QNGOZBTKSA-N 405.436 0.742 30 20 HCED O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCN/C(O)=C1\N=CC=CC1=O 732154966 VXTVMEUQVXIQIR-BUHFOSPRSA-N 418.884 0.322 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCOC)c2=O)cn1 732561513 OLQDZSLZAQMYKM-UHFFFAOYSA-N 415.519 0.334 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1 735479382 NKIWUMNRCTVPKD-UHFFFAOYSA-N 421.500 0.900 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C 743726321 MSJLVEQHTNRLAC-LBPRGKRZSA-N 412.471 0.581 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 743962787 UANWXVHGASEDMC-CQSZACIVSA-N 413.409 0.822 30 20 HCED C#CCCN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 746190830 LAGZYFRAIXJWFD-UHFFFAOYSA-N 406.439 0.964 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)nc1 746782373 IXOMHLMIFNWRRL-UHFFFAOYSA-N 421.417 0.172 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 748547502 QYRRNUMCQRYLAM-SFHVURJKSA-N 418.519 0.152 30 20 HCED N#Cc1ccc(CC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 750246773 SJNHGOJVDCUKLQ-ZWKOTPCHSA-N 420.487 0.839 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758055497 PVGKTLKHZCAHKL-UHFFFAOYSA-N 400.441 0.294 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)C2CC(O)C2)c1 759405924 PKMHOHSUEFNBLZ-SILNSSARSA-N 408.480 0.420 30 20 HCED CC(=Nn1c(S)nncc1=O)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 766473839 IBGMLVOEKNGEDN-UHFFFAOYSA-N 410.525 0.429 30 20 HCED CSCCNC(=S)NN=C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 769598177 DCQSAEMLQJFQDV-UHFFFAOYSA-N 404.587 0.994 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 770676222 NHSVNUXTEPEWMZ-MRXNPFEDSA-N 405.480 0.294 30 20 HCED CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 770791092 IFJYIIBPZSKSHV-AWEZNQCLSA-N 404.423 0.869 30 20 HCED O=C(NCC#CCO)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 774291095 DEFLWSMCRLEUHJ-UHFFFAOYSA-N 401.282 0.959 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 779477646 ADZHWMSOQNYPGE-SZCVIQFDSA-N 422.507 0.714 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cc1 782164888 QAVNOOCAWIDJPN-QGZVFWFLSA-N 401.419 0.882 30 20 HCED C[C@@H](OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)NC1(C#N)CCC1 786995830 JTQBWCOFLPOBHY-HZPDHXFCSA-N 406.483 0.194 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786999541 SSOJCMQQDLEBCM-CSODHUTKSA-N 422.526 0.686 30 20 HCED COc1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OCC(N)=O 787587834 KTIIJBZASWRCGC-LLVKDONJSA-N 405.407 0.676 30 20 HCED CN(C)C(=O)c1cccc(CCNC(=O)C(=O)NCCNc2ncccc2C#N)c1 787758502 ZDNIGXXSZFVPIU-UHFFFAOYSA-N 408.462 0.542 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCC1CCN(c2ccncc2)CC1 787775648 FBJIEHPOAUQAQW-UHFFFAOYSA-N 407.478 0.909 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(-n2cccn2)ccc1C)[C@@H]1CCS(=O)(=O)C1 789590127 RJWDPZUESMEMOZ-MRXNPFEDSA-N 400.460 0.768 30 20 HCED CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(O)nn1 790142720 DFXMBNFUJACAJE-UHFFFAOYSA-N 422.423 0.947 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)CC1 791353243 PNHUBUQVKUGHLR-QGZVFWFLSA-N 404.417 0.742 30 20 HCED C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 798741986 YRANILDSUJGCPK-GHMZBOCLSA-N 414.378 0.762 30 20 HCED CC1(NC(=O)OC(C)(C)C)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 805060718 HIZWZGSFSABNKL-UHFFFAOYSA-N 407.515 0.996 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NCCc2ccncc2)c1 805982821 YWQUPOBYESMXTK-OAHLLOKOSA-N 415.471 0.897 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 807001704 CKJHIKJQDTWGOE-ZDUSSCGKSA-N 424.276 0.908 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 807378513 FKACXCNAUWJVDZ-UHFFFAOYSA-N 402.304 0.900 30 20 HCED C#CCCS(=O)(=O)NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 810786716 UOJGKYDUQHWIBR-UHFFFAOYSA-N 414.505 0.759 30 20 HCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cn(C)nc3C(F)F)c2=O)cn1 812275578 CAJDSAQYFRIWAB-UHFFFAOYSA-N 401.402 0.813 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250736 YGNLVSWLMFYHNH-UHFFFAOYSA-N 405.430 0.512 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc(CO)ccc2O)CC1 814850847 GRMVZAFMUMGLKM-UHFFFAOYSA-N 405.480 0.662 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1COCCN1CC(F)F 816129965 TZUBWXLABGXZCB-NSHDSACASA-N 404.351 0.237 30 20 HCED O=C(N[C@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)N1CCSCC1 820482053 CTFKLTAQDNASCA-JTQLQIEISA-N 405.523 0.596 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCNC1=O 832644968 SMDQKAFADBNCRP-CQSZACIVSA-N 408.480 0.852 30 20 HCED CC(C)[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 876675320 ISAIRVNKFFVSQP-QGZVFWFLSA-N 423.491 0.542 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 916868408 MKNMRKDNVSJPIA-GOEBONIOSA-N 403.414 0.497 30 20 HCED S=C(NCCN1CCOCC1)NN=Cc1c[nH]nc1-c1ccc2c(c1)OCO2 917534202 XETNTIBTUCLJRR-UHFFFAOYSA-N 402.480 0.936 30 20 HCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1297823965 PAMMDNSJXXHBSX-LJAQVGFWSA-N 416.507 0.824 30 20 HCED CNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1309878049 ONRMUXKOXYVSCJ-UHFFFAOYSA-N 415.313 0.763 30 20 HCED C=CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)C(=O)OCC 1320425051 SHCJXCVYVMPADW-DOMZBBRYSA-N 409.464 0.311 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CCO1 1321229533 CLYKUNSVBYCGMJ-OAHLLOKOSA-N 418.475 0.464 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1323978194 TWKDIRLXUOOTDK-UKRRQHHQSA-N 404.492 0.742 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)CSCC(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1341760517 QETTVONRHWCCJC-ROUUACIJSA-N 420.583 0.423 30 20 HCED C=CCn1c(Cc2noc(CCCN3C(=O)CCC3=O)n2)nnc1N1CCOCC1 1342526699 BPJAMQYKNFADLK-UHFFFAOYSA-N 415.454 0.356 30 20 HCED N#Cc1cn(CCC(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c(=O)nc1O 1444213705 XAHBZGMMRZEKJY-UHFFFAOYSA-N 405.418 0.435 30 20 HCED Cn1c(NCc2cccc(S(=O)(=O)C(F)(F)F)c2)c(C#N)c(=O)n(C)c1=O 1559305554 NNVQHCVOARVLBD-UHFFFAOYSA-N 402.354 0.861 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CC(C)(C#N)C2)c(O)nc1=O 1559799248 RKRJMROPLAMGFP-ZDUSSCGKSA-N 406.487 0.545 30 20 HCED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1635934259 PYNQQXZDGPAHTN-WBMJQRKESA-N 402.432 0.651 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)C1 1731184075 ZOGCDPAUYABARR-QZTJIDSGSA-N 420.470 0.863 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ccccc2)CCO1 1731190367 QFEFRVIRHGUDCU-WBVHZDCISA-N 417.491 0.988 30 20 HCED 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413.478 0.914 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C[C@@H]21 1786702921 YWKGTPTYYZIQPV-MPGHIAIKSA-N 411.462 0.952 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 1788573314 QBVMKJFGDXOHRO-CADBVGFASA-N 418.538 0.906 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1)n1cnnn1 1789511013 BVQXPMXOYCEXLC-QCSYZSNVSA-N 409.450 0.399 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4cccc(F)c34)[C@H]2C1 1790483865 GBXHBNWPCJFXKV-HUBLWGQQSA-N 414.393 0.383 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4c(c3)CCNCC4)[C@H]2C1 1790620895 RAWXLTASGNNRKF-CJCBUOBESA-N 418.563 0.681 30 20 HCED COc1cccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1C 1791122408 RPASYLGFSXYTEA-LNLFQRSKSA-N 414.458 0.614 30 20 HCED CC(=O)C[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1791216383 CEQMKJVCKLBRRI-DKIMLUQUSA-N 406.527 0.863 30 20 HCED 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CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834583271 IEWSNQYEKKSWDN-QFBILLFUSA-N 409.508 0.812 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)[C@@H](C)CC)CC2)CC1 1834681867 HHXMSPSMFVHZBA-QKLQHJQFSA-N 406.571 0.970 30 20 HCED COc1ccc(F)cc1CC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768870 QKSFVZSFBUDFGI-HXUWFJFHSA-N 405.426 0.747 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835120420 CIEXZMCDYAZOFI-DLBZAZTESA-N 420.554 0.463 30 20 HCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352288 RTLUOCJVEGRMJA-DYESRHJHSA-N 415.494 0.752 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)C(=O)Nc3cccnc3)CC2)CC1 1835804610 GOAZQNRDHUEYLN-AWEZNQCLSA-N 419.551 0.910 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836025000 CTYQVAXEYLXBSF-AUUYWEPGSA-N 423.470 0.178 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837161895 JTOSNROBRYNCKX-IFXJQAMLSA-N 404.492 0.723 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1837493647 OUJWJNGDSCXHLA-HCPAQRILSA-N 416.518 0.942 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559726 CTUJJYOBFJFDDE-DNPICXIKSA-N 419.478 0.746 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837651838 GRODCAOSWHOGCA-SFHVURJKSA-N 408.842 0.484 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837679347 IUBLJQHPLLLOJK-UTKZUKDTSA-N 407.511 0.551 30 20 HCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837793573 KLAIRQASUDNHAJ-UHFFFAOYSA-N 416.415 0.014 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838795845 RMVGVKZRFONATL-NRFANRHFSA-N 411.462 0.913 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1839172574 VPJLMMARNAEUBE-HXUWFJFHSA-N 412.483 0.377 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1839227491 SOBKOFMTWZVCHI-FUHIMQAGSA-N 409.483 0.936 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1839227783 YJOKGNUCKGMRLZ-BEFAXECRSA-N 408.455 0.854 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(=O)OCC)cc1)CCO2 1839445010 UDPHXWTXOMHSDX-OAQYLSRUSA-N 400.431 0.567 30 20 HCED Cn1nc2c(c1C(=O)N1CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C1)CCC2 1839582473 AGIWUPIPUXHRNF-OAQYLSRUSA-N 413.478 0.283 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1)C(F)(F)F 1839894058 GUNNWKVWLGMCEP-PBHICJAKSA-N 407.433 0.902 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)C2)C1 1840164641 DODNLTPTUZMXON-NJNPRVFISA-N 420.506 0.836 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1840175639 WJAYSXRWVRYGFG-QFIPXVFZSA-N 414.506 0.416 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840365820 OEWJZIRQPVTPCA-VGSWGCGISA-N 414.506 0.775 30 20 HCED Cc1cccc(F)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840652339 NAAYLXPHSPZWTE-FQEVSTJZSA-N 404.394 0.292 30 20 HCED CCn1c(N)c(C(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O 55173408 FSVVMIIGUAADBH-UHFFFAOYSA-N 410.478 0.401 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cnn(CC#N)c3)CC2)cc1 139368443 UFXWPAYEUJCCKA-UHFFFAOYSA-N 402.480 0.660 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCCCN2CCC(C(N)=O)CC2)CC1 303876323 DWYQERFKBQPMTH-UHFFFAOYSA-N 410.563 0.831 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 409499780 IBZYCMICZWTFGG-GOSISDBHSA-N 424.523 0.153 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 427406221 HNFULQWKSSSLGI-UHFFFAOYSA-N 400.399 1.243 30 20 HCED N#Cc1c(CCCNc2ccc(C(=O)NCCO)nn2)nn(-c2ccc(F)cc2)c1N 428120745 UCBASUPXRZNXPX-UHFFFAOYSA-N 424.440 1.022 30 20 HCED CCN(CCC#N)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 429262329 UCCDJVABRBYXTL-CQSZACIVSA-N 414.509 0.919 30 20 HCED CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433868985 PNXRSBCQEBAEIB-UHFFFAOYSA-N 415.313 0.891 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433899940 ZZLWKUICLMAYPN-CQSZACIVSA-N 417.441 0.027 30 20 HCED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCO1 436137230 YZXSJXXUSSKLLG-OAHLLOKOSA-N 412.899 0.397 30 20 HCED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 439328899 XOSKVUSGUKMFCJ-LBPRGKRZSA-N 412.443 0.546 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC)c2C(F)(F)F)CC1 440056749 YKMKANXCNJAHKA-UHFFFAOYSA-N 416.404 0.307 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 440703949 KKSRIZOSERPDFB-UHFFFAOYSA-N 409.464 0.184 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)n1 444571574 PGQUVGFEWWGWJT-ZDUSSCGKSA-N 400.826 1.310 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(S(N)(=O)=O)cc1 465208898 AFKLYWIIBSMTLD-ZDUSSCGKSA-N 415.479 0.416 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 465347407 VUHJOQRUNYWDNL-KGLIPLIRSA-N 423.491 0.890 30 20 HCED CCn1nc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C1CC1 468594564 HDXAGHBMTZKOOV-ZDUSSCGKSA-N 408.466 1.118 30 20 HCED Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 471658088 KIRBWTVWSCSUBQ-UHFFFAOYSA-N 416.459 0.815 30 20 HCED CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 471782300 TZUAOPLGRSQVRS-UHFFFAOYSA-N 409.468 0.641 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCCN3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 472094543 MRASWVCZHXRZCO-IYBDPMFKSA-N 403.531 0.931 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCSC2)cc1 476804194 GQNUXDCDALBBDK-QGZVFWFLSA-N 413.521 0.416 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)cc1C#N 478847080 YJVHFSCNXVBJLM-CQSZACIVSA-N 409.467 0.826 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)n2)c1=O 479366099 ZFBKFGMZEKFZCO-ZDUSSCGKSA-N 416.503 0.378 30 20 HCED C=CC[C@H](CO)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 480696291 VAIAPXRARYXXBB-HNNXBMFYSA-N 418.537 0.479 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@@H]2C)cc1 484436912 VAKVBCZTWIGAFK-DZGCQCFKSA-N 411.480 0.040 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 489458346 QZYGFJYCFZOWAJ-IOSXPMGOSA-N 412.556 0.541 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](C)N1CCOCC1 491426536 BSIZGMTWHHZCKD-LSDHHAIUSA-N 411.466 0.362 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 499828583 AIVXQSHHOIHSNH-JYJNAYRXSA-N 401.463 0.323 30 20 HCED CN(C)CCOc1cnccc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 515334637 MLMXGCCIEBAXID-UHFFFAOYSA-N 417.491 0.488 30 20 HCED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)[C@H]1CCS(=O)(=O)C1 516698991 KCSZIJDWMPWNOF-LBPRGKRZSA-N 418.475 0.727 30 20 HCED Cc1ccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1S(=O)(=O)NCC#N 518687757 CCCRWQKJCQSEFJ-KRWDZBQOSA-N 408.524 0.884 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)OC)C2)cc1 520277991 QOKQVHVSVAISDC-CYBMUJFWSA-N 409.464 0.453 30 20 HCED COCCN(Cc1noc(CCC(=O)OC)n1)S(=O)(=O)c1ccc(C#N)cc1 521145065 BGPUEVXXGUUHJS-UHFFFAOYSA-N 408.436 0.884 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCOCC 524749123 MKMKTMKHHFHUCV-UHFFFAOYSA-N 400.460 0.440 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)CC2)c1C#N 530407735 JMGWVWKZIAUXRM-GJZGRUSLSA-N 408.528 0.788 30 20 HCED CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 556137064 WZDOMXHYYLNTPV-UHFFFAOYSA-N 420.473 0.620 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 556624502 SNNAUXYWTXWOIJ-IBGZPJMESA-N 407.474 0.957 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2sccc2C#N)c1 559796789 RJVNPWCCGYIGKD-UHFFFAOYSA-N 421.460 0.221 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)CN1CCN(C)CC1 560015543 IVUSCIMJRYSHQO-SFHVURJKSA-N 412.538 0.207 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 566828162 NSQRIZJNGRGXCZ-INIZCTEOSA-N 420.878 0.703 30 20 HCED CCN(CC)CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 566829584 JIQUQBXSIDHAAT-KRWDZBQOSA-N 408.524 0.796 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 566877417 KMBUFXORZYNRST-GOSISDBHSA-N 420.473 0.947 30 20 HCED COCCn1c(N)c(C(=O)CN2CCC(C#N)(c3ccccn3)CC2)c(O)nc1=O 574291920 AHVOTMZKWKAKRY-UHFFFAOYSA-N 412.450 0.313 30 20 HCED CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 576543124 ZLFSSBVYJDFZTC-OAHLLOKOSA-N 403.531 0.881 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)c1C 581027084 HXVZKOVYVCPJHP-MRXNPFEDSA-N 415.475 0.993 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 582871111 YAYQMGOBMLBLSH-OAHLLOKOSA-N 410.496 0.723 30 20 HCED Cn1[nH]c([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1=N 584244992 IWDLKCHJOWDIJV-AWEZNQCLSA-N 403.468 0.397 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589334969 GMMDXZHGTMYUKH-HOCLYGCPSA-N 422.507 0.226 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 604006044 UFPFNJBJCPBCGT-HZPDHXFCSA-N 421.523 0.468 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 608050115 IDSCXDAPYXEEMW-DYVFJYSZSA-N 417.491 0.808 30 20 HCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 608911513 HMUGOPIRGMQIJI-UHFFFAOYSA-N 404.517 0.040 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1cccs1 610693922 IIMKVVYAHFGNPF-GFCCVEGCSA-N 406.493 0.425 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CC[C@](F)(C#N)C2)c(O)nc1=O 615636066 QIODTERNNKXBPU-YJYMSZOUSA-N 424.477 0.637 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CCOc2ccc(S(N)(=O)=O)cc2)c1 726064811 GHGXJOSWWLUREY-UHFFFAOYSA-N 417.443 0.834 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1 731127207 YTGUADNRRNOAMO-UHFFFAOYSA-N 412.490 0.794 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1 731127714 JPTFSVSDEPUCML-OAHLLOKOSA-N 412.398 0.922 30 20 HCED Cn1cc(N2CC[C@@H](OC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cn1 732327119 YMVPJPZIWQVBID-MRXNPFEDSA-N 402.432 0.555 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 733149288 DPIUDDQRLPSUDE-AWEZNQCLSA-N 418.416 0.433 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccccc2)CC1 733149892 WQQRTWAMYBZMSC-HXUWFJFHSA-N 410.518 0.965 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc3cccnc23)CC1 735923674 VUQRZGVGWMLBRU-UHFFFAOYSA-N 400.504 0.822 30 20 HCED COc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)cc1Cl 737308234 YPILYNUZRDDTHG-NXVVXOECSA-N 422.825 0.938 30 20 HCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(C(=O)CN3CCCC3)CC2)C1=O 738160236 HGGKOMJWQXLWNA-JOCHJYFZSA-N 424.505 0.523 30 20 HCED COCCN(CC(=O)N(C)C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742671725 XGZAZVUYINRIIZ-ZDUSSCGKSA-N 410.496 0.067 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCn2ncc(C(=O)OCC)c2N)cc1 744109886 QKAZWFAKMSOSCU-UHFFFAOYSA-N 420.447 0.411 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCN(C)CC1 747412818 UKOOQHROFWWCGX-INIZCTEOSA-N 422.551 0.713 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 747823192 ONEWADCTGYKIOZ-UHFFFAOYSA-N 400.435 0.567 30 20 HCED COC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C1CC1 750303591 XLOFBRPXWTWEDB-MXVUGKIDSA-N 422.507 0.979 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCNc2ncccc2C#N)C1 753409268 VLPKTDFIBZRMPI-INIZCTEOSA-N 424.527 0.447 30 20 HCED CCN(CCS(C)(=O)=O)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 753730482 MEUJIEMDGVBTAM-UHFFFAOYSA-N 401.510 0.398 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 755554277 SZGGTTBCEAYWRS-ZIAGYGMSSA-N 420.470 0.733 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758075978 CGKXGEWZYROQFR-UHFFFAOYSA-N 423.450 0.062 30 20 HCED N#C[C@@H](C(=O)c1coc(C(N)=O)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 760181749 ALAARJHEAUPSDA-HNNXBMFYSA-N 411.374 0.958 30 20 HCED N#Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 767194228 BFCJCAACAVRSKY-ZDUSSCGKSA-N 414.465 0.105 30 20 HCED COc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc(OC)c1OCC(N)=O 771081288 RPJLFULECQKLCD-UHFFFAOYSA-N 411.436 0.321 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC)[C@@H]1CCCO1 773792088 SLGPPHVTWMHJDU-AEFFLSMTSA-N 415.446 0.545 30 20 HCED C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@H]1CCCO1 776231304 OSFLQRPIZLRTMC-JKSUJKDBSA-N 421.475 0.311 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)c1=O 779317757 KDGSXJLGKHUEAZ-UHFFFAOYSA-N 418.475 0.713 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1 785288865 YEJBXGVYLKABOJ-QAETUUGQSA-N 414.414 0.589 30 20 HCED Cc1nn(C)c(N2CCN(CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)CC2)c1C#N 788044606 NXEWQMUSPKNBHZ-INIZCTEOSA-N 410.482 0.031 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2(O)CCC2)cc1 793108540 MUWVYCUPNUUUAI-CJLVFECKSA-N 422.507 0.859 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NNS(=O)(=O)c2cnc(C)c(C#N)c2)nc1 793350770 PPSLVNLKPTXWAK-UHFFFAOYSA-N 424.508 0.993 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(Br)c(C(=O)O)c2)n1 794840814 LRUDKFITSPBBNV-UHFFFAOYSA-N 400.214 0.589 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n1 796140183 FRNHVAPPCMBSMN-UHFFFAOYSA-N 401.202 0.799 30 20 HCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(S(=O)(=O)N1CCO[C@H](C#N)C1)CC2 800073789 AZRKVPSQXLSATF-SOUVJXGZSA-N 400.501 0.929 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 803784416 CWLJROCOLWFICF-UTKZUKDTSA-N 415.446 0.980 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 805062914 URZYFHCXGLNELO-HOCLYGCPSA-N 423.514 0.231 30 20 HCED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 807405646 IFUKCVAXTFTJMA-UHFFFAOYSA-N 405.414 0.233 30 20 HCED C#CCn1cc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)cn1 807939629 BIZMDCWLYIGDBA-UHFFFAOYSA-N 404.448 0.288 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2COc3ccccc3[C@H]2O)cn1 808970156 KJUFNHDDQWUSDK-DOTOQJQBSA-N 404.386 0.688 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3COc4ccccc4[C@@H]3O)n2)cc1 808972140 VZCNJXOAILNPLE-WMZOPIPTSA-N 418.413 0.747 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2cn[nH]c2)cc1 810446378 STLCHJJVEIZVHE-XQNSMLJCSA-N 418.479 0.520 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)c(C(F)F)n1 812277950 AZXIEKZBTFTRMK-UHFFFAOYSA-N 423.445 0.184 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)cnc1Br)[C@H]1CCS(=O)(=O)C1 812983670 CATXGIBLXZLJAF-NSHDSACASA-N 414.281 0.740 30 20 HCED C[C@H](c1ccccc1)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(N)=O 816720993 PZNLXBFTEDASJB-FZKQIMNGSA-N 414.487 0.889 30 20 HCED O=C(CC1(CC(=O)N[C@@H]2CCCN(O)C2=O)CCCC1)N[C@H]1CCCN(O)C1=O 820483009 WJHYCPOFLNKYGX-OKILXGFUSA-N 410.471 0.320 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 849065917 IRIHEYNNFHOWJM-HNNXBMFYSA-N 404.433 0.942 30 20 HCED CCCCCCNC(=O)[C@H](C#N)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 916875652 GMJUPPYKRFVQEU-ZIAGYGMSSA-N 410.496 0.557 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 918439673 UMEIDGGRXVQQRW-UHFFFAOYSA-N 423.454 0.790 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCC3(CC2)OCCO3)cc1 1115883209 WPWGBZHIIQJTIZ-UHFFFAOYSA-N 422.459 0.382 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1291321761 NJWWYQVAMJEAHF-FASAQXTFSA-N 415.429 0.907 30 20 HCED CN1CCC(C#N)(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1322635268 MOMSJEFBIWZEDB-INIZCTEOSA-N 401.467 0.651 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOCC1 1359142606 LJDJBRJBERRELX-CYBMUJFWSA-N 406.940 0.409 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COc1cccc(Br)c1C#N 1461480132 UYWOUSRAIKUZAV-YPMHNXCESA-N 403.254 0.628 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cccnc1OCC(F)F 1474930928 PFETXWXORDWBFU-UHFFFAOYSA-N 404.439 0.962 30 20 HCED CCc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1499264504 SVEIXTGSOKCPEB-YPMHNXCESA-N 423.499 0.524 30 20 HCED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1619355060 YZXZGNOEIYAJPG-QGZVFWFLSA-N 412.450 0.541 30 20 HCED CNS(=O)(=O)c1cccc(Cn2c(C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)c1 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C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@@H]1c1cccnc1 1802672040 ARMGYMVZBKRPOP-AYBZRNKSSA-N 415.494 0.397 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C(OC)OC)[C@@H]1c1cccnc1 1803342049 QWPZFBOHFSSEEV-QUHFKBAASA-N 416.478 0.565 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)n2ccnn2)[C@H]1c1cccnc1 1803552543 HMDOFEIMOMIWQO-FPAYPSAMSA-N 410.478 0.978 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3CCNC3=N)[C@@H]2c2cccnc2)c1 1807119752 YJYFLEGNPSCBCS-LPHOPBHVSA-N 420.477 0.441 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)CCC(N)=O)[C@H]1c1cccnc1 1808452583 RDPOPHQADGCRLL-UZLBHIALSA-N 416.478 0.862 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1811337216 JKRTYFMKCFHMNK-MGPUTAFESA-N 402.414 0.437 30 20 HCED N#Cc1cccc(C(=O)NC[C@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c1 1811794743 BMFAPONJUASBKD-UYAOXDASSA-N 416.445 0.960 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1815197583 VZVUSBOCVXWCNE-UKRRQHHQSA-N 401.471 0.280 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ncn(C)n2)n[nH]1 1816318402 FMHMIMDYXDQGCO-DANTVBBOSA-N 412.454 0.703 30 20 HCED COC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1 1819605917 MZAHEXVPBSUWQX-IRXDYDNUSA-N 401.467 0.966 30 20 HCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CC1)CC2 1820185728 MGRCIUPFBAWBJN-WCQYABFASA-N 405.480 0.510 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cnc3ncccn23)[nH]n1 1822201916 XUWJFPOKYTYIPB-ZDUSSCGKSA-N 407.390 0.846 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCC(N)=O)sc2C1 1825175077 MOUJTAXVVPNJCL-SKVAFPRGSA-N 405.480 0.179 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674311 HHPXDNWXTMMYAF-NWDGAFQWSA-N 401.448 0.676 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NNc1ccccc1)CCO2 1829812286 IGROLRMDOAHRGV-PGRDOPGGSA-N 414.506 0.861 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1830057399 DNVOGRXPIBPINN-HXUWFJFHSA-N 412.450 0.349 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1830873352 PJULLHMPIFSUIP-DENIHFKCSA-N 415.490 0.840 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)[C@H](O)C=C)C2)C1 1831396106 HZCCXCPNHQJJIL-CBGDNZLLSA-N 408.495 0.054 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc(C)s3)C2)C1 1831402696 PFFZWFUNTDVQAX-QRWLVFNGSA-N 421.519 0.489 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831516520 BSEFTYOUTJIUDO-PFRQMTDMSA-N 413.515 0.651 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831866758 AAMIGJGZMJDBDN-UZLBHIALSA-N 406.483 0.390 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1832451437 BSQDQDQXPTXZRQ-IBGZPJMESA-N 408.476 0.629 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)CC)CC2)CC1 1833255204 SKAZUBVDFFIEOF-OOFWQKGWSA-N 406.527 0.187 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(C)=O)CC2)CC1 1833469021 JRFNUVMIGKZMGA-MRXNPFEDSA-N 406.527 0.123 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(C)s3)CCO2)C1 1833797766 KTZCJURWBLWHCZ-BEFAXECRSA-N 407.492 0.560 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833942685 MTLYMBBTXYHIBF-HNNXBMFYSA-N 417.510 0.349 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834473389 VJHHRPLRMJCKQR-FOIQADDNSA-N 405.426 0.329 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834604959 OCCSXQLATJMBJZ-MRXNPFEDSA-N 401.515 0.790 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)C1 1834767664 ORCOMXZIOINQBY-RRFGBZISSA-N 414.418 0.978 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835077154 GZIZNGYMFMOHDJ-UHFFFAOYSA-N 401.467 0.486 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844283 QHQHYHVWMNTDDW-OXJNMPFZSA-N 422.570 0.921 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520468 HWMWFALOWKAMPI-XOUUHQBZSA-N 422.503 0.978 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1837398938 LAGQFFLBHWDVLI-MGPUTAFESA-N 407.467 0.626 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837964394 FCYJWHOJWWBPDR-QFBILLFUSA-N 412.508 0.796 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)cc1 1838374608 XACJPDNLIJNPSR-NRFANRHFSA-N 423.429 0.438 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097164 BJGJRBHCSXKVME-FHHJFJGDSA-N 413.446 0.330 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839214945 OCLUSXWGIXWOSF-KGVIQGDOSA-N 419.522 0.832 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839446214 IXOUMBUIZJRBTN-OAQYLSRUSA-N 400.431 0.581 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1839811160 KGLBTSNKEDZCLV-MGPUTAFESA-N 409.483 0.379 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036290 BIARCHDSIRHUFN-SSKFGXFMSA-N 424.457 0.266 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1840293182 LMWUEEZZNWWNTL-OXQOHEQNSA-N 408.499 0.083 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840402426 DNUUKEAQALFZRX-OPYAIIAOSA-N 418.494 0.247 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)[C@H](O)C1 1841024554 GGPQETGPGDIKKM-LSDHHAIUSA-N 406.483 0.721 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2ccc(S(C)(=O)=O)cn2)C1 1842255310 LDXHCHNVIWZPJD-MRXNPFEDSA-N 421.519 0.875 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1845959181 OQQSUKSPYIWREV-YWZLYKJASA-N 405.495 0.831 30 20 HCED CC(C)(C)OC(=O)NC12CC(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)(C1)C2 1846110027 IYOHZERJZMQKSL-UHFFFAOYSA-N 417.462 0.725 30 20 HCED CCOC(=O)C1=C(Cn2c(=O)c(C#N)cn(C)c2=O)NC(=O)N[C@H]1c1ccccc1 11461404 KUJRKYOKCDGLAX-INIZCTEOSA-N 409.402 0.290 30 20 HCED CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 409564954 GAVUIBUTKUPGHW-MRXNPFEDSA-N 416.525 0.073 30 20 HCED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 427016881 QFGOFRJSJWSMKH-LBPRGKRZSA-N 414.384 0.963 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCOCC)CC1 430410368 WEXHKBRZONXKND-QZTJIDSGSA-N 409.527 0.865 30 20 HCED COC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 433970414 FUCZVMOSILERDR-GOSISDBHSA-N 408.480 0.198 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)N(C(=O)NCC)CC3)C1=O 440261688 ZCJBXNVGVRAETE-INIZCTEOSA-N 413.478 0.962 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)C1=O 440282811 NBAHLSFSAGTVCO-MRXNPFEDSA-N 416.478 0.646 30 20 HCED N#C[C@@H](C(=O)c1cn(Cc2ccccn2)nn1)c1nc(N)nc(=Nc2ccccc2)[nH]1 442643171 GBTHHGVEKHKTBY-HNNXBMFYSA-N 412.417 1.144 30 20 HCED Cc1nc(=NS(=O)(=O)c2cccc(-n3cnnn3)c2)n(-c2ccc(C#N)cc2)[nH]1 443420246 SZQNTMBKBGRPLZ-UHFFFAOYSA-N 407.419 0.646 30 20 HCED CCCc1c(NC(=O)C(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)cnn1-c1cccc(C#N)c1 443724480 ZDVJYIMEMKAVFX-ACJLOTCBSA-N 424.461 0.736 30 20 HCED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446527496 QNHPWZDMYGZBDP-UHFFFAOYSA-N 422.507 0.244 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ncn(C2CCCCC2)n1 446530886 JTQZRIAVEYPXCO-UHFFFAOYSA-N 403.487 0.796 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1 447195195 UKWDITHLGMVBMF-UHFFFAOYSA-N 404.489 0.088 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)C1=O 460498852 XSBIYBMBSDEIQW-UHFFFAOYSA-N 413.369 0.594 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(N4CCNC(=O)C4)ccn3)C2=O)cc1 469802277 YFKACWUXORBORE-GOSISDBHSA-N 418.457 0.815 30 20 HCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cn2)c1=O 474362746 PQEWORRHPZDIIV-UHFFFAOYSA-N 412.515 0.775 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC 482560224 XLYWYTZVAYTQGX-UHFFFAOYSA-N 416.528 0.909 30 20 HCED CCOC(=O)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 490743602 NKKMLYXFKBUYJF-UHFFFAOYSA-N 410.434 0.938 30 20 HCED CCN(CC)C(=O)CCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490765826 APDHMIMKZJKSMT-UHFFFAOYSA-N 411.466 0.901 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 497467450 CUNSDFBLVPRPPA-UHFFFAOYSA-N 412.471 0.951 30 20 HCED COC(=O)C1(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CCS(=O)(=O)CC1 500152098 HQWCYDDANKVCRV-UHFFFAOYSA-N 416.459 0.903 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 502293959 UJBVDZIECDPWBJ-AEFFLSMTSA-N 404.442 0.656 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 506225616 JHZUJLYLKUNNCW-HXUWFJFHSA-N 403.435 0.930 30 20 HCED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)ccc1-n1nnnc1C(C)C 508328990 XQGPFHZMAUUMJQ-UHFFFAOYSA-N 408.426 0.312 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 508831877 HMGLNCYWYGAAPG-OAHLLOKOSA-N 410.544 0.950 30 20 HCED Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)C(=O)NCC(=O)NCC#N 508975020 ASAIUQDFUWNHPY-ZIAGYGMSSA-N 413.478 0.808 30 20 HCED COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 512949800 ZRSUBFWGCIPPJX-UHFFFAOYSA-N 406.349 0.616 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 516047166 UHKLPIXBDJZQJO-UHFFFAOYSA-N 423.454 0.902 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H](C)S1(=O)=O 519849713 OBXVICTUDHGFNN-VXGBXAGGSA-N 419.438 0.856 30 20 HCED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)c1 524199158 QYZHWFLLYFLVAD-UHFFFAOYSA-N 401.463 0.961 30 20 HCED CC(C)N(CCC#N)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 527353636 ACVPNVHFBHSYFS-SFHVURJKSA-N 414.462 0.790 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1=O 542479961 YTOPCLQSDGARHC-QGZVFWFLSA-N 414.462 0.236 30 20 HCED CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549445076 GISXNRDRZUFXNO-UHFFFAOYSA-N 423.477 0.344 30 20 HCED CC(=O)N1CCC(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 553218816 GVVVXBZAUNHKAN-UHFFFAOYSA-N 413.522 0.823 30 20 HCED COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCC(=O)NCC#N)c1 553428531 LDBNBFJBEGCSNM-UHFFFAOYSA-N 402.432 0.866 30 20 HCED CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 555000118 SKCDDDIUSPWKIU-UHFFFAOYSA-N 424.523 0.568 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H](c1ccccc1)c1nccn1C 559505921 OWXVYEJNTKQKMO-QGZVFWFLSA-N 420.477 0.894 30 20 HCED C=CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 573497371 XSSGBRGCMHOWLP-GFCCVEGCSA-N 400.457 0.747 30 20 HCED CC(=O)Nc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1 590997136 YXGVKALQUMXYNA-UHFFFAOYSA-N 408.483 0.985 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 609940678 RUXFXPCBORPMBG-UHFFFAOYSA-N 420.408 0.960 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 610574272 AWOJGAXYUGUOMQ-UHFFFAOYSA-N 422.510 0.398 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccccc2[C@H]1C(N)=O 610805885 MTIDRFDSSOBNKX-UGSOOPFHSA-N 412.471 0.836 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)cn1C 610820343 MUXKXXHVQVCFHK-UHFFFAOYSA-N 406.472 0.377 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 612557208 MMMULTCQZQVVDX-UHFFFAOYSA-N 404.496 0.660 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C(N)=O)[nH]n3)nnc12 676205831 ODAPUHPREPZPEQ-UHFFFAOYSA-N 424.446 0.783 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnc3ccccc23)c(=O)n1CCOC 731352962 ZZWRBNQLVYSWIW-UHFFFAOYSA-N 420.494 0.910 30 20 HCED O=C(NCCCNC(=O)c1cccc(F)c1)NCCN/C(O)=C1\N=CC=CC1=O 732467543 ZERUPNRUVFSGPU-FBMGVBCBSA-N 403.414 0.771 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCC1=O 733778373 VZYIDROMHWWSJF-AWEZNQCLSA-N 420.491 0.405 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744666032 DXOBVNIGGUISGV-CZUORRHYSA-N 423.447 0.819 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCc2cccc(OCCN3CCOCC3)c2)cn1 746380591 CTPYCQMRJBISNC-UHFFFAOYSA-N 412.450 0.373 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)CC1 747278257 MWTLSIXTVDELIX-UHFFFAOYSA-N 419.482 0.457 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)CC1 747850277 XZYWYKGHDNKHRE-UHFFFAOYSA-N 402.469 0.379 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 753880596 ANDDYGSLSREZPP-AWEZNQCLSA-N 422.507 0.240 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)s2)c1=O 758068579 MQUOWBOUZDQHEO-UHFFFAOYSA-N 407.904 0.524 30 20 HCED C[C@H](CO)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 759109063 QLRZEBILPMWHDD-KTNMXJNISA-N 424.523 0.963 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 766775366 LLGQPRHMSKGWPG-UHFFFAOYSA-N 402.455 0.243 30 20 HCED C=CCN(CC=C)C(=O)CN1C(=O)N[C@@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 768750454 PYKBWCSSSSKXSQ-LJQANCHMSA-N 421.450 0.951 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCc1nc2ncccn2n1 768829933 KUBNCMBSTLSBES-CYBMUJFWSA-N 414.447 0.839 30 20 HCED C=CCN(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 777620194 QUAJODZTMSUMOO-UHFFFAOYSA-N 405.498 0.618 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C)(c3nc(C)no3)CC2)c1=O 781149698 LEDIAXCPMMGVEL-UHFFFAOYSA-N 402.455 0.246 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 783348179 YKOZVGPQHUOUEZ-UHFFFAOYSA-N 422.551 0.873 30 20 HCED C[C@@H](OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)NC1(C#N)CCC1 787600672 OSHXBUIAJBOPCF-ASSNKEHSSA-N 410.430 0.874 30 20 HCED C=CCN1CC[C@@H](N2C(C(=O)OC)=NC3=NS(=O)(=O)c4ccccc4N32)C1=O 798367604 HETXJNRYAVNSRB-GFCCVEGCSA-N 403.420 0.140 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800912123 DXJFKYOFDMDJCM-JTQLQIEISA-N 406.452 0.616 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 808616165 VJNJWVFOAMGKFA-CQSZACIVSA-N 424.475 0.953 30 20 HCED C[C@H]1CN(c2ccc(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc2)C[C@H](C)O1 810014771 CGHBTZVICRDNSW-GJZGRUSLSA-N 409.512 0.871 30 20 HCED C[C@H](CC(=O)NCCCN(C)CCN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 811543303 XWPPPANSPPYSCH-OAHLLOKOSA-N 409.556 0.503 30 20 HCED C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812189697 GXYZSRWWTWOVKO-INIZCTEOSA-N 423.539 0.567 30 20 HCED C[C@@H](OC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 815266626 QEDOHCNGAPQNFU-ZYHUDNBSSA-N 414.871 0.997 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 815860259 DAWXQPVKVCBQGJ-SFHVURJKSA-N 415.494 0.997 30 20 HCED Cn1cnn(CCC(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1=O 816057577 GBOLTOXWMJQAPQ-UHFFFAOYSA-N 414.241 0.111 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 914425017 FTVSMQSENFRHEM-UKRRQHHQSA-N 423.491 0.420 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919318677 NYMCETVVZJODBV-AWEZNQCLSA-N 421.475 0.095 30 20 HCED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 920730389 AKVJLHQIKNDOPD-UHFFFAOYSA-N 410.492 0.797 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CCC1=O 1003039939 AEQBYYCZAKWBOC-YXTCSXCUSA-N 403.479 0.755 30 20 HCED N#C[C@@H]1C(CN2CCC[C@@H](CNS(N)(=O)=O)C2)=CC(=O)n2c1nc1ccccc12 1253337852 GNDBRRATNNHHQN-DZGCQCFKSA-N 414.491 0.729 30 20 HCED Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1290345206 XBQXTNAJMXPACA-NEPJUHHUSA-N 411.513 0.430 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1290553666 NNVIHTGAHMBZSW-JSGCOSHPSA-N 422.515 0.016 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1301042562 VSOQICIZXPGCRW-LBPRGKRZSA-N 403.892 0.821 30 20 HCED CN(C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1314619976 JDPZPOGVLOMELF-HOTGVXAUSA-N 415.498 0.749 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 1321008971 OBRGLOOALMYFPZ-INMHGKMJSA-N 414.462 0.857 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c(=O)nc1O 1475508890 KFBKBZQNHZAVJJ-UHFFFAOYSA-N 406.317 0.957 30 20 HCED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1509877027 QKLRRFOPSYEMHV-LSDHHAIUSA-N 414.532 0.774 30 20 HCED Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1511179745 TYJAYGZJSQIKDJ-GOEBONIOSA-N 404.496 0.974 30 20 HCED N#Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnc1C(F)(F)F 1515158369 LPIYAVNBZBDDLW-LLVKDONJSA-N 400.338 0.552 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)CCO1 1521137997 WWFVXLCZNMOONU-INIZCTEOSA-N 411.466 0.275 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(cnc2C(F)(F)F)C1 1536990877 ASOOSXLITYSLQI-UHFFFAOYSA-N 413.381 0.983 30 20 HCED CC[C@@H](C)[C@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)NCCN1CCOCC1 1584962447 MVVPPSIRVQOLQF-BEFAXECRSA-N 402.499 0.344 30 20 HCED CN(C)C(=O)COC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1587513701 YOFWXSYRQLBQAA-ZDUSSCGKSA-N 404.854 0.880 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CCCc3cc(C#N)ccc31)C2 1636266969 KLFVUOLJAOREEO-QGZVFWFLSA-N 423.477 0.607 30 20 HCED N#Cc1cn(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)nn1 1641172721 KHERYQSUXFMBEA-UHFFFAOYSA-N 400.464 0.914 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)CCO1 1657447103 NMQIZUFNPLVDSO-HNNXBMFYSA-N 403.464 0.503 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1664652549 TVCZKIBRAWCWOS-BBRMVZONSA-N 401.510 0.800 30 20 HCED CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1687830333 WMAHPSMVOYJFKH-UHFFFAOYSA-N 421.523 0.747 30 20 HCED Cc1csc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1693330459 LACQHSFWGZFDBY-CHWSQXEVSA-N 408.509 0.722 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CCCO1 1706871137 NBGWBYVQRFLQPO-VBNZEHGJSA-N 400.480 0.899 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1741879066 YIMSUBGMACJPLK-DOTOQJQBSA-N 401.515 0.937 30 20 HCED Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCS(=O)(=O)CC2)cn1 1748008033 SPQRRYUKIUQVNK-UHFFFAOYSA-N 419.511 0.358 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1778976341 OPOQYWCTERSBOX-YVEFUNNKSA-N 421.416 0.068 30 20 HCED Cc1ncncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102272 GMYCDTBKONFKGS-IHSVQVTCSA-N 417.466 0.758 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779333041 UAMOCRMFJBPGMN-JBYIUTFZSA-N 423.554 0.406 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1)C(F)(F)F 1779530476 QDQOTISVDNHPAA-MRXNPFEDSA-N 414.340 0.737 30 20 HCED Cc1nccnc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779778572 AZBNQRRAWCQNKN-GRQGUZBNSA-N 417.466 0.758 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2ccnn2)C3)c1 1780346735 QRFPWQGNDCZPGZ-WIYYLYMNSA-N 408.462 0.977 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)ccc1F 1781302681 VPYTULQABRMSBT-CIBWYJFOSA-N 413.449 0.962 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192305 GGAKQCSFLOHQEM-ZSEKCTLFSA-N 424.461 0.390 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782671055 ASGHYEHWZOPXCY-AEFFLSMTSA-N 410.496 0.345 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)[C@@H](C)CC)C[C@@H]21 1783529087 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N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nnsc4C4CC4)C3)C2)CC1 1835342037 OGONESYYBKWIJT-LJQANCHMSA-N 417.491 0.789 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1835354676 VHSYLXFFSVGMOY-NRFANRHFSA-N 415.446 0.718 30 20 HCED COC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675009 IJXJILJTSJOJEI-OXQOHEQNSA-N 410.515 0.007 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675319 NJYBMKARTTWHJQ-FVJLSDCUSA-N 424.542 0.132 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835743816 PIHVOTWEQBRVRA-IIBYNOLFSA-N 424.542 0.028 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1837305876 LHTMQBPDLUFDOL-XMSQKQJNSA-N 419.522 0.834 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837305885 LORCQUJVCZXHDO-FXAWDEMLSA-N 403.483 0.503 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837492373 GYMDJGACJWTLJB-FIKGOQFSSA-N 408.470 0.499 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)n1ccccc1=O 1837684700 WJNSOSPEBPZMDP-JXFKEZNVSA-N 402.451 0.169 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837974238 UROQCTCGWHDJMB-IIBYNOLFSA-N 419.478 0.751 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)cc1 1838069910 RVCNIWDXKYDSIS-FQEVSTJZSA-N 411.418 0.371 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838805336 LHWDINVERQDORZ-LIRRHRJNSA-N 424.454 0.038 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1839174602 LZKALNHEHRYWHH-KRWDZBQOSA-N 422.400 0.905 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)c(OC)c3)C2)C1 1839806395 ODVUIOBPCQSTQM-QFIPXVFZSA-N 416.474 0.726 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1839889622 FXDHMZVFMGLSDQ-KBXCAEBGSA-N 415.437 0.275 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840386114 JEAJVGACIPXBRW-OAQYLSRUSA-N 417.510 0.978 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)CCC1 1840812859 PLPXHNUMSMNRMW-FQEVSTJZSA-N 401.419 0.404 30 20 HCED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1)C(=O)O 1840835896 NDQQKTUDYKHJKJ-CHYKPAQCSA-N 400.497 0.428 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840855247 BHAQKEMMHHZHAX-YEWWUXTCSA-N 401.529 0.066 30 20 HCED O=C(c1cc(=O)n2[nH]cnc2n1)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730106 IGGRAWLKHIVIFK-UHFFFAOYSA-N 402.414 0.286 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1844235689 SGPZLGNRJQQIDO-MRXNPFEDSA-N 421.519 0.875 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314595 YYPZRIXLFJUFLL-JDYBYSMLSA-N 419.434 0.397 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845203128 ZWBLPZJENLNULK-QGZVFWFLSA-N 418.425 0.508 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccccc1F 7288859 NQNZJJWVDPPMFF-UHFFFAOYSA-N 405.407 0.835 30 20 HCED C=CCNC(=O)Nc1ccc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 29811381 MBSIQODDBQFZTP-LLVKDONJSA-N 400.439 0.657 30 20 HCED CN/C(=N/CCNC(=O)c1cccc(Br)c1)NCCN1CCOCC1 303974502 HXBRAYAERCYFFZ-UHFFFAOYSA-N 412.332 0.676 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)CCO1 409498808 FWDKYTBPNKCVNA-KGLIPLIRSA-N 418.397 0.647 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)CCC#N)CC1 410398986 BNRISPKLOXZBLT-UHFFFAOYSA-N 409.578 0.451 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435164823 HPRCORCGZWCBFC-UHFFFAOYSA-N 404.414 0.972 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439290402 XBYLCMXVWRLNDP-UHFFFAOYSA-N 424.449 0.093 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1=O 440270619 WTHHHRNYSDMWAT-HNNXBMFYSA-N 408.480 0.087 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n1 442433631 DEWJUJVLFYQDQK-HNNXBMFYSA-N 422.424 1.264 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)ccc1OC(F)(F)F 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HCED COC[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 740508284 SVLBDEONTUKGBA-NNLSSIJJSA-N 422.507 0.933 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](c1ccccc1F)N1CCOCC1 742665368 VUAREGSBYGCJIT-SELCWUDQSA-N 402.426 0.842 30 20 HCED CCN1CCN([C@H](C)CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742670438 SHVPBSGBLZXYNU-HZPDHXFCSA-N 421.567 0.646 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1C#N 752411193 MEPAQLXBHFNXFP-MLGOLLRUSA-N 403.439 0.900 30 20 HCED CC(C)C(=O)N1CCC(=NOCC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 762693694 UWLFGBOFKTWNRX-UHFFFAOYSA-N 418.560 0.814 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@H](N2CCCC2)[C@H](SC)C1)c1cc[nH]n1 772548478 OBUXQIIQZQVXOP-LSDHHAIUSA-N 409.512 0.732 30 20 HCED COc1cccc(-c2nc(C)c(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)[nH]2)c1 772663514 LYLISCIPGVUZJR-HNNXBMFYSA-N 416.459 0.973 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 776143270 OJMUGGKDNHRLQQ-UHFFFAOYSA-N 402.473 0.061 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCNc2ccc(C#N)cn2)[C@H](C)O)cc1 779500594 RIBUUDXWIKGZAP-KSSFIOAISA-N 417.491 0.518 30 20 HCED C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)S(N)(=O)=O 779603137 IRZLYXLXVUXDEU-NUSFMGPTSA-N 417.513 0.298 30 20 HCED C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 780205919 PNFAOUAYWSOVNF-BDJLRTHQSA-N 403.416 0.809 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)cc1 782969495 XFYSPFHQVZLLJH-INIZCTEOSA-N 408.476 0.689 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCC(=O)N1C 784854300 GIUFGZHQEAHAKJ-HNNXBMFYSA-N 412.402 0.530 30 20 HCED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 785115585 VGEWMCLCGZFLDV-UHFFFAOYSA-N 408.374 0.881 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)NC1(C#N)CCC1 787723324 SPUAERFATFLMES-JTQLQIEISA-N 401.466 0.126 30 20 HCED CC(C)(C#N)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 790006848 LNJFUOSXWDPHIY-UHFFFAOYSA-N 415.541 0.003 30 20 HCED CS(=O)(=O)CC1(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCC1 795323880 KWHDCYFERLJWLD-UHFFFAOYSA-N 400.478 0.595 30 20 HCED CC(=O)N[C@@](C)(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1ccc(S(C)(=O)=O)cc1 797515474 RPTMPUQPQSGTDQ-LJQANCHMSA-N 423.491 0.745 30 20 HCED CCCCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 799761051 UINUCLYQRHHHLU-UHFFFAOYSA-N 421.541 0.985 30 20 HCED CNC(=O)OC[C@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 805828686 OQRGGVRLAASUFL-OAHLLOKOSA-N 404.471 0.714 30 20 HCED CC1(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)OCCO1 806372589 PLIIJQVGNNJZHM-MRXNPFEDSA-N 400.435 0.045 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 810772798 FSQDGXLQXFNDDK-CYBMUJFWSA-N 402.469 0.696 30 20 HCED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 811747283 ZWEDHXXXDPVJPK-LAUBAEHRSA-N 413.478 0.918 30 20 HCED COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 812118579 SLNGNLDUTFAGMW-CQSZACIVSA-N 408.470 0.702 30 20 HCED 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CNC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1460773952 ZVFNJONBLAWMNN-JKSUJKDBSA-N 404.540 0.850 30 20 HCED Cn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1503671944 IIZNNHGACFHFFV-CQSZACIVSA-N 404.500 0.487 30 20 HCED C[C@@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1545121774 XDQFQWYVOMVOOP-BEFAXECRSA-N 405.478 0.677 30 20 HCED N#Cc1cn(CCC(=O)NCc2ccccc2CN2CCC(O)CC2)c(=O)nc1O 1586899830 WAEGBNBYGHOEIJ-UHFFFAOYSA-N 411.462 0.484 30 20 HCED Cc1csc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)n1 1693330461 LACQHSFWGZFDBY-QWHCGFSZSA-N 408.509 0.722 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712884372 KPMUBNWYCXRCOL-ZBFHGGJFSA-N 402.480 0.427 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1741132001 IIGGQKFZMLLLTI-UKRRQHHQSA-N 408.484 0.848 30 20 HCED CC(C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1750534974 KIMYOCITZGJFBL-UHFFFAOYSA-N 424.509 0.765 30 20 HCED 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C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1785015047 WPYVSLMZEGZWLO-XEZPLFJOSA-N 420.491 0.687 30 20 HCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)CCO2 1785422526 JUWNNVVXMSPKLR-IIBYNOLFSA-N 423.510 0.769 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOCC3)[C@H]2C1 1786725293 ZIGUTDBZJUPNJH-XSLAGTTESA-N 410.515 0.099 30 20 HCED CC[C@H](NC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1786970885 OOCMVJFUDVHREV-BRLCOEBDSA-N 410.515 0.493 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788350221 NXZGKXIWJWWJTF-CVYDXHPNSA-N 416.478 0.297 30 20 HCED CN1CCC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788653165 WTTCMQGKQIFMPJ-IZHAEGTOSA-N 422.526 0.589 30 20 HCED COc1nc(C)ccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1789015816 HTOPGWZHWBPDQN-BPUTZDHNSA-N 401.419 0.080 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 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Cc1nc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)no1 512361070 HUVHANBXCAYPEV-UHFFFAOYSA-N 414.470 0.013 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](N4CCOCC4)C[C@@H]3C)CC2)o1 512419621 ASTKNFMCUWVCOK-RDJZCZTQSA-N 402.499 0.298 30 20 HCED C=C(C)CN1CCC(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 518508278 HTXWBTXUTKZALP-UHFFFAOYSA-N 422.551 0.823 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 520121235 DQRJCJXKEVRHBG-HNNXBMFYSA-N 405.480 0.508 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1=O 524951120 YPMAUXPUEVOSDH-NVXWUHKLSA-N 414.462 0.369 30 20 HCED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCC1 527128407 VZOSRWBADNEJRS-UHFFFAOYSA-N 402.480 0.432 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 532501130 IUKKDTILOPENIR-ZYSHUDEJSA-N 420.535 0.985 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1C 535650228 KUQROSAMZSMPQN-INIZCTEOSA-N 415.475 0.945 30 20 HCED C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 537138587 YTCKWHARQBKATO-HZPDHXFCSA-N 424.523 0.758 30 20 HCED Cc1nc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 550277501 PBHHQOWHLHQADM-KRWDZBQOSA-N 411.487 0.899 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CCC[C@H](C(N)=O)C2)cc1N1CCC[C@@H](C(N)=O)C1 550341768 OTDZAZXCUHHBIN-OLZOCXBDSA-N 400.439 0.870 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)C(=O)C1 556995981 SHFWVHNPGLNNHZ-UHFFFAOYSA-N 423.481 0.792 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 560052112 FZSHYKZSUUPRDF-UHFFFAOYSA-N 406.446 0.990 30 20 HCED CN1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 564462637 SLQFISKGJIANEQ-UHFFFAOYSA-N 401.442 0.648 30 20 HCED CCc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N1CCOCC1 573657934 KRWMBTXUDAZASV-LJQANCHMSA-N 408.524 0.844 30 20 HCED COC(=O)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 573953065 YDXDOCDRYGHTGO-KRWDZBQOSA-N 412.446 0.581 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCO[C@@H]3CCOC3)C2=O)cc1 581688941 VZSVBLBKYXWOIX-QZTJIDSGSA-N 414.462 0.087 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)NCc1ccco1 583594748 KYOJZZJEJKOIJO-LBPRGKRZSA-N 407.390 0.492 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585716349 PBQAMDIGIQEZPW-UHFFFAOYSA-N 407.478 0.816 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 585864304 QUHNKBWRSWKJRZ-GOSISDBHSA-N 423.514 0.711 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)c1 602253481 SHHCBZIPCCWEJF-UHFFFAOYSA-N 415.402 0.849 30 20 HCED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 609486016 BTQOJBWJNHEGQS-GOSISDBHSA-N 405.524 0.389 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)n1 611359519 HLFOFIGEFCEWIM-UHFFFAOYSA-N 401.471 0.808 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 612235821 HPIXQUYRRDAZQB-QZTJIDSGSA-N 403.435 0.928 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C#N)n(CCc2ccc3c(c2)OCCO3)c1=O 726783984 WZDZGTDSLGBAGP-UHFFFAOYSA-N 419.466 0.684 30 20 HCED CCCCc1nnc(SCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1N 742454449 HXYVOUYTXIICGS-UHFFFAOYSA-N 404.500 0.944 30 20 HCED C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 745443750 GJXDRPYFNZRIMY-GEONZQJFSA-N 417.462 0.812 30 20 HCED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)OCC(=O)N(C)C(C)(C)C#N 745737368 SZTBQGGJBVDCPM-UHFFFAOYSA-N 404.467 0.907 30 20 HCED COc1cc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)sc1S(N)(=O)=O 754171481 YVJGFDSXYNPEAT-UHFFFAOYSA-N 409.445 0.749 30 20 HCED C[C@H](CCCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 756325124 CJMNHROILWQINZ-QIAIEURZSA-N 410.496 0.715 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 761036715 HTUYUYIHSAKUJZ-UHFFFAOYSA-N 409.468 0.317 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2nc(CS(C)(=O)=O)no2)C1 765239025 DAFXXQKBHVUABN-VHSXEESVSA-N 414.444 0.495 30 20 HCED 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N#CCNC(=O)CNS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 796216738 JDQQLPDYDLGNTG-INIZCTEOSA-N 408.480 0.594 30 20 HCED C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 798741989 YRANILDSUJGCPK-QWRGUYRKSA-N 414.378 0.762 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)C(=O)NCCF)C1=O 799863137 PQCIRJMXMLKHSV-GWCFXTLKSA-N 423.470 0.327 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCn1cnc(C#N)n1 803553003 BUQFEHNPQROWOG-CYBMUJFWSA-N 405.459 0.172 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)CC2)c1C#N 806691111 PLYWMKFXOGUJRR-OAHLLOKOSA-N 416.482 0.051 30 20 HCED CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 810365004 CMSVLOJDAGVJNO-FOCLMDBBSA-N 401.379 0.738 30 20 HCED C#CCN(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 812187229 OHCMFTJAFIJYJT-UHFFFAOYSA-N 403.482 0.066 30 20 HCED C#CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 812784597 XZXLBOBWPWTVMJ-UHFFFAOYSA-N 407.492 0.598 30 20 HCED 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CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101095 GZIGXYGRUHJTDK-XIBLASPXSA-N 424.498 0.212 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138937 JVLWJLQFMCBSKA-KSXMTOLSSA-N 414.466 0.456 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1779238526 ZBJLWQVEABYLMN-VLIAUNLRSA-N 406.483 0.407 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C2 1780741256 OXVUZSBPLXBCEV-QLVMHMETSA-N 423.510 0.534 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782476413 LWPHUZJAEKYNPJ-SPYBWZPUSA-N 421.523 0.449 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C[C@@H]32)C1 1783466723 CMENFNCZORTUQV-MBGYTDRXSA-N 423.510 0.775 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cscn3)C[C@@H]21 1783531302 NRYPDHUYEXYTMK-MLCVQOOXSA-N 418.519 0.524 30 20 HCED COc1cc(C)c(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563549 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HCED C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 549665865 YZZQWSRKYSSAFF-INIZCTEOSA-N 404.515 0.875 30 20 HCED CN(C[C@@H]1CCCC[C@H]1O)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561707920 UMQBSQPJXDIGQX-IPMKNSEASA-N 412.490 0.785 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 561742764 HWVFUFWOFPXDDT-UHFFFAOYSA-N 414.506 0.429 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 568775852 WEFXAABYLLAKJK-AWEZNQCLSA-N 424.448 0.912 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n(CCC#N)n1 580147066 YAHFDTCSJSZLFG-NSHDSACASA-N 400.361 0.571 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1=O 580457099 FDEQIYGQBXLRLI-ZDUSSCGKSA-N 414.384 0.884 30 20 HCED C=CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 582582629 GZMPGLVGLDYOQP-UHFFFAOYSA-N 402.494 0.987 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCCO1 589142534 WJUFVWNROPAVSP-JKSUJKDBSA-N 417.466 0.382 30 20 HCED Cc1nccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589514765 LOFBSJNMWPOIQS-UHFFFAOYSA-N 400.464 0.284 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCCSC 590996117 TZPYIKFWVXBJAA-UHFFFAOYSA-N 400.529 0.863 30 20 HCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1C 608911866 MFCLLUTULHHAFF-UHFFFAOYSA-N 412.515 0.348 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 609689682 DMLBFCNVTYTDSZ-UHFFFAOYSA-N 406.395 0.608 30 20 HCED Cc1nn(-c2ccccc2)c(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1C#N 615626060 LXTRFAURKSJBPU-UHFFFAOYSA-N 420.477 0.515 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 726042938 PMQLOCSAIZDQPL-MRLBHPIUSA-N 405.451 0.836 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1CN1CCOCC1 732444209 RCJKLUZNBUFWQR-FMQUCBEESA-N 413.478 0.844 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1 739817762 WQZHZWMHRJYOBC-UHFFFAOYSA-N 413.381 0.864 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745353524 NCWDQWNUQBMBLP-DZGCQCFKSA-N 412.512 0.836 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)c2ccccc2NC(=O)Cn2cnnn2)cc1 749279205 QDMHRUQZSPHYTH-UHFFFAOYSA-N 419.401 0.657 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)[C@@H](C#N)C1 752002197 MRCHTKBXPRRQHG-KGLIPLIRSA-N 411.484 0.978 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1C#N 752409035 VDJWNDYMYSYUBS-CYBMUJFWSA-N 400.395 0.301 30 20 HCED C#CCN1CCN(C(=O)CNc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)CC1 754310094 YDDOUTDMXYXWTO-UHFFFAOYSA-N 420.535 0.669 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)CC2CC2)c1 755076783 VYBPSRSMXSGZMY-XQEBGNCTSA-N 422.507 0.715 30 20 HCED C#C[C@@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 769954506 UDSSMCSYRQNDIR-OAHLLOKOSA-N 409.508 0.490 30 20 HCED Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OC(F)F)cc1C 771893032 WMWMAFKHJYJLRF-UHFFFAOYSA-N 416.406 0.615 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H](C)C1CCN(C(=O)OC)CC1)c1cc[nH]n1 772587180 HAHIZNYOMJEWCY-GFCCVEGCSA-N 409.443 0.677 30 20 HCED CNS(=O)(=O)CCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 777083888 QCTVCNPIRLFUMK-CQSZACIVSA-N 408.436 0.246 30 20 HCED Cc1cc(C(=O)OCCNS(=O)(=O)c2cnn(C)c2)nn1-c1cccc(C#N)c1 780199670 HUNLADKDFXADGO-UHFFFAOYSA-N 414.447 0.921 30 20 HCED Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NS(=O)(=O)c1cccc(F)c1C#N 781597864 NGPPWCMIENPAAE-UHFFFAOYSA-N 415.424 0.968 30 20 HCED N#Cc1c(COC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cn2ccccc12 786198961 AOVVKHXYNVKSPY-UHFFFAOYSA-N 402.388 0.525 30 20 HCED C#CCC[C@@H](O)CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 798416423 NCXKLGYEBOBLQS-QGZVFWFLSA-N 408.524 0.196 30 20 HCED CN1C(=O)COc2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc21 798630269 QYNRIIRHLIVFLU-UHFFFAOYSA-N 400.416 0.719 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 799997236 CEYVLHSVXGOJJQ-OAHLLOKOSA-N 409.512 0.730 30 20 HCED COCC#CCOC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 801507841 OXMVNPWZFXOMGX-UHFFFAOYSA-N 412.439 0.485 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)C2)c(F)c1 805588306 QWIZGOTUBFGQMH-RHSMWYFYSA-N 402.426 0.933 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 807337443 RTAOPWHWULPFLO-GOSISDBHSA-N 423.473 0.431 30 20 HCED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1NC(=O)OC(C)(C)C 807401295 MUYQHLFRUQUJNU-UHFFFAOYSA-N 405.411 0.737 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 807463379 AXVFLVBEBVKRCE-ZIAGYGMSSA-N 423.495 0.303 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1=O 809246458 RJUVCQVUFMZMKG-PMPSAXMXSA-N 422.526 0.993 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815552303 XFAAUJUYFDWMFA-CQSZACIVSA-N 405.455 0.209 30 20 HCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 917036868 PJTJCTRTHFUQAW-NZMUHZMNSA-N 407.426 0.827 30 20 HCED COCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 918639675 HPVGONJQNDHAEF-LQFHHUIYSA-N 422.507 0.933 30 20 HCED C[C@H](CC(=O)N1CCC(n2cnnc2O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1156471540 VYFFITVPCARSFB-GFCCVEGCSA-N 418.479 0.665 30 20 HCED N#C[C@H](C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 1263291524 ZOQMLIULBWFUMP-GFCCVEGCSA-N 424.866 0.449 30 20 HCED COc1cc([C@H](C#N)NC(=O)c2cn(CC(=O)N(C)C)nn2)cc(OC)c1OC 1318228193 JNRQXIHMSRCGFY-LBPRGKRZSA-N 402.411 0.387 30 20 HCED C[C@H](C#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1318426974 SBULSEALAXDIJU-MDKANAEZSA-N 413.521 0.656 30 20 HCED CN(C)C1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1318535241 HAWDUEDYVBNXGY-KRWDZBQOSA-N 413.478 0.990 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)nn1 1325265029 RCKQNKMUFXJXQZ-CQSZACIVSA-N 413.438 0.923 30 20 HCED CCCCS(=O)(=O)N1CCC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1338808083 WQHZJYGRXHJNPE-FBMGVBCBSA-N 412.512 0.471 30 20 HCED N#C[C@H](C(=O)CCc1nc(-c2ccccc2)no1)C(=O)N1CCS(=O)(=O)CC1 1343442322 JSKLYROQLSXAKU-CQSZACIVSA-N 402.432 0.635 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1510107950 OUKYQMXSLYKTIA-OXQOHEQNSA-N 419.505 0.811 30 20 HCED CCc1nnc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)s1 1513768644 PMDQXTXDUCBEOL-LBPRGKRZSA-N 402.484 0.705 30 20 HCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C1 1517414124 QUGBCRJGCPDGCK-JOCHJYFZSA-N 423.521 0.975 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1556619630 QOVWYIIJHYLYMP-VBNZEHGJSA-N 411.505 0.403 30 20 HCED CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558164025 QWDYVESSQBBDIV-WBMJQRKESA-N 414.853 0.761 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[C@](O)(CC#N)C3)cn2)CC1 1562356778 XSPLJMGOXQOQKV-QGZVFWFLSA-N 408.484 0.046 30 20 HCED COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619775857 VWEXZEVZYCGSBE-YRNRMSPPSA-N 417.514 0.193 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3[nH]ncc3C#N)cc2)CC1 1627167364 YQQHPNSHMDCECZ-UHFFFAOYSA-N 402.436 0.386 30 20 HCED CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1639974248 ZUYBPKCTSGLWEM-QZTJIDSGSA-N 418.519 0.882 30 20 HCED COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C1CC1 1654890930 RQJJQXFDKKZVJE-JKSUJKDBSA-N 401.467 0.634 30 20 HCED CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1729700368 QXIDWHADVASDOC-OAQYLSRUSA-N 411.510 0.846 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=N)N)CCO2 1779000234 SKVZTPCPAJYNHC-IBGZPJMESA-N 407.591 0.350 30 20 HCED O=C(/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)NC1CC1 1779019115 MJXRKAGRTDNWQX-WCDZUZSJSA-N 417.510 0.123 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1779024860 WQTKAPDFSUOTGT-XOBRGWDASA-N 403.435 0.720 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100358 VGADXZMMIIIBHW-KSZJVJFVSA-N 411.499 0.752 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1nc3ncccn3n1)CCO2 1779137012 XVMIMQLSFJUSJC-YUSOBQLHSA-N 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C[C@@]1(C2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC2)NC(=O)NC1=O 441215664 ARKAYDVVVHOZSG-SFHVURJKSA-N 403.826 0.987 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cn1 443094131 OJTUTNUGYWCFJL-UHFFFAOYSA-N 402.404 0.488 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cn1 460617429 ZWAYXZFALPQUJJ-LBPRGKRZSA-N 421.339 0.357 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 462464183 AZSXUPQDCXTJPX-AWEZNQCLSA-N 403.913 0.705 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1 463350153 UBIQQULUVQAZBV-UHFFFAOYSA-N 405.448 0.905 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 470497114 JXUYQAQQRINFNE-INIZCTEOSA-N 420.535 0.890 30 20 HCED CN(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 484203485 QTEARSHDJCHAEN-IPMKNSEASA-N 411.506 0.764 30 20 HCED COCCC(=O)N1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 487292098 XALBYGODIFUWDS-UHFFFAOYSA-N 400.483 0.812 30 20 HCED Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@H](C#N)C2)c1C 497859759 IBOKEQJPZNEZLT-KURKYZTESA-N 421.519 0.795 30 20 HCED CCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505694311 LXVOUWJXDPFPAZ-AWEZNQCLSA-N 400.504 0.861 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 506120211 BHRDQEZFHGWYMM-LJQANCHMSA-N 411.572 0.922 30 20 HCED C[C@@H](Cc1ccncc1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 506871470 KJXXPEKAIKVAQY-KXBFYZLASA-N 405.458 0.918 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 507342761 YRUQCAVTQCKBCU-AEFFLSMTSA-N 403.435 0.928 30 20 HCED C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 507779348 ULZLXZVIFKHZPP-MAUKXSAKSA-N 423.477 0.458 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3cccc(F)c3)CC2)CC1 508509843 CCHMQLISZKYNQH-UHFFFAOYSA-N 402.470 0.420 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 508976098 DMPNURXWNDORKF-UHFFFAOYSA-N 411.393 0.450 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC2(CCOCC2)C1 514321070 LZLNMPOTFWKKMJ-HNNXBMFYSA-N 407.492 0.881 30 20 HCED N#CC1(CNC(=O)CNC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 514416665 JVBXDMXWUJZKLG-UHFFFAOYSA-N 404.492 0.596 30 20 HCED Cc1nn2c(SCC(=O)Nc3c(C#N)cnn3-c3ccccc3)n[nH]c2nc1=O 517346722 YFMVMZNPQONHIW-UHFFFAOYSA-N 407.419 0.909 30 20 HCED C=CCN(C(=O)CN1CCS(=O)(=O)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 517520664 RJRVYTIPFZIJSA-OAHLLOKOSA-N 404.496 0.468 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc(OCC)n3)CC2)C1=O 521618272 QRYGUFAFFUQWNY-UHFFFAOYSA-N 401.423 0.106 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccc(C#N)cc1OC 527419680 CGVVCFLPCXFKAK-AWEZNQCLSA-N 404.423 0.325 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(-c3ccccc3)n2)CC1 538966186 ZDVACKPAXHILEH-UHFFFAOYSA-N 410.478 0.566 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 540272829 XKNIUMFJGGLJRC-UHFFFAOYSA-N 418.479 0.673 30 20 HCED C[C@H](C#N)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 541575383 VAOJGOBETQQLLG-ZWNOBZJWSA-N 420.413 0.894 30 20 HCED Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 546904682 BETOQPWWRQABPK-UHFFFAOYSA-N 406.402 0.685 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 549286011 VNGMMINDSATZRE-UHFFFAOYSA-N 424.509 0.911 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 553562981 BEUMAAIQUCBLHW-WBMJQRKESA-N 403.526 0.977 30 20 HCED C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555243155 IUPHKDCQHRNTJH-INIZCTEOSA-N 421.461 0.452 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 558290053 CYDYMNDSYGCOPJ-IRXDYDNUSA-N 412.494 0.365 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 558538303 FZJCWKGVPLFHMS-UHFFFAOYSA-N 410.496 0.531 30 20 HCED N#Cc1c(CCCNC(=O)C2(S(N)(=O)=O)CC2)nn(-c2ccc(F)cc2)c1N 561134733 DHNDCMLXTITDFU-UHFFFAOYSA-N 406.443 0.335 30 20 HCED CC(C)N=c1[nH]c(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nc(=NCCO)[nH]1 573824930 DVAFGSUJAURAAD-UHFFFAOYSA-N 424.509 0.667 30 20 HCED C=CCCCCNC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 575076666 WZSBEABSPBQCPG-UHFFFAOYSA-N 423.535 0.937 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@H](C(C)C)C3)CC2)c1C#N 577652613 RRYNNLWHWURQRH-RDJZCZTQSA-N 402.499 0.569 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ncnn3-c3ccccc3)CC2)nc1 580637717 HKJJZNINXOWUNJ-UHFFFAOYSA-N 416.445 0.499 30 20 HCED CCC1(O)CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 589096122 RKFCNKAJRGVBCK-DKTYTTGXSA-N 412.490 0.975 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1 589295226 HELGXMZSHOTEMQ-KRWDZBQOSA-N 406.508 0.550 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(CCC(N)=O)c2ccccc2OC)c1 602246329 NBWVRPFVSICOLH-UHFFFAOYSA-N 412.402 0.424 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(=O)N(C)C 604270409 YFIBUIZBDBAFOO-UHFFFAOYSA-N 418.544 0.397 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 610797194 JCTSIKUARYUATN-GFCCVEGCSA-N 422.488 0.772 30 20 HCED CCCCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 611370922 DEHRLEMGEKCKOE-LJQANCHMSA-N 406.575 0.213 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 612252965 IXTZLKLCAYNUHA-QZTJIDSGSA-N 416.478 0.580 30 20 HCED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N2CC[C@](F)(C#N)C2)C1=O 615537264 VLNFUNDKLBRPDT-SFHVURJKSA-N 402.386 0.649 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 617038248 XRHHFPPVDXSHKN-IRXDYDNUSA-N 419.507 0.382 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)NCCCC)cc2)C1=O 623220727 ITOIEFFZJOHSOX-UHFFFAOYSA-N 400.435 0.810 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(=O)N(C)C 674003954 QJEBTRSSZODIFS-UHFFFAOYSA-N 414.512 0.659 30 20 HCED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(/C=C\C)cc2OC)CC1 728571975 RQJHKCPFSWIKRI-GJEJWFRCSA-N 401.507 0.835 30 20 HCED C[C@H](O)CN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731827311 WWYWZNLDYKNSPO-INIZCTEOSA-N 422.551 0.811 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 732079748 OLXWVRDPZAQFHX-FQEVSTJZSA-N 418.563 0.515 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O 732335773 NLTLVKKREQFFNQ-CYBMUJFWSA-N 405.794 0.965 30 20 HCED COC(=O)c1cc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OC 732445871 UDPBZKIPOGGQDZ-MSUUIHNZSA-N 402.407 0.807 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1 733148565 COBFGXNDLBVYRX-KRWDZBQOSA-N 414.481 0.771 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](NC(C)=O)c2c(F)cccc2F)CC1 733149336 FWZSRLOQTYANDD-GOSISDBHSA-N 420.460 0.816 30 20 HCED C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CN1CCN(C)CC1 733977085 WUBXXTLVTYDOEB-INIZCTEOSA-N 421.567 0.505 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c3c(c2)C[C@H](C)O3)CC1 736335376 FLIFVPZVOWUKBO-ZDUSSCGKSA-N 411.911 0.719 30 20 HCED CC(C)[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 741096809 AIWHQJNUXOCAEY-JJTVEENBSA-N 410.496 0.571 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OCc3ncnn3C)cc2)CC1 746654257 KSNZPKQTXNOCNW-UHFFFAOYSA-N 417.491 0.544 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)CC1 747993234 BNMSYEMFNCJJJU-UHFFFAOYSA-N 415.446 0.555 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 756310748 YXKJKQQJYYWTSU-SFHVURJKSA-N 416.430 0.080 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)[C@H](C#N)C1 756894185 IRACZSOEXVPPTJ-HUUCEWRRSA-N 408.480 0.964 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C1 758643581 WDLYYCXMVFACIT-KBPBESRZSA-N 416.500 0.419 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C(C)(C)C(=O)OC)C2)c1=O 771632516 RGCVZCSWMAPXLU-HNNXBMFYSA-N 406.483 0.412 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCCO1 773797293 QZKSRRMGSHJVBU-JKSUJKDBSA-N 405.476 0.671 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)ccc2C)c1=O 777946034 VPOJNEYRNMJGLQ-UHFFFAOYSA-N 413.474 0.646 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCN2CCNC(=O)C2)C1=O 781104214 OUJVXSKGKDMITM-AWEZNQCLSA-N 423.926 0.839 30 20 HCED CN(CC(=O)NS(=O)(=O)c1cccc(F)c1C#N)S(=O)(=O)c1ccccc1 781598281 SLVBNMBHJALHEK-UHFFFAOYSA-N 411.436 0.823 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 783078456 ANWVYIJONRUJKF-UHFFFAOYSA-N 405.473 0.989 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(Br)cc1C)[C@@H]1CCS(=O)(=O)C1 783479187 BBKHDBAJKPVCSY-LLVKDONJSA-N 414.281 0.740 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1nc[nH]n1 785057554 INTLWPGPZLIEDQ-PKSOQRGBSA-N 419.467 0.433 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCCN3CCOCC3=O)C2=O)cc1 785301515 CTMMEZZVTWRLCK-HNNXBMFYSA-N 400.391 0.165 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1 787064240 BDIMITGVAJQXFZ-KRWDZBQOSA-N 417.432 0.443 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O 788320244 OBTMOFITAABENA-SFHVURJKSA-N 400.479 0.385 30 20 HCED 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N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ccccn5n4)C3)C2)CC1 1835341731 BQCBHVBQTQFPGI-NRFANRHFSA-N 409.446 0.708 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1)C(F)(F)F 1835515634 KFXXFHPZKGEBGN-CQSZACIVSA-N 410.418 0.188 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1836000520 CXPIKJXZIYQKRP-JOCHJYFZSA-N 415.490 0.498 30 20 HCED CC(C)(C)OC(=O)CC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836991465 UEJGEAVOWFBLQK-UHFFFAOYSA-N 422.478 0.805 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c2cccnc21 1837186550 NYKQMRMMIZVOCD-QFIPXVFZSA-N 423.473 0.947 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1837493748 VTRSDRWZMQNPSP-AVRDEDQJSA-N 420.506 0.178 30 20 HCED C/C=C(/C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837530603 OAVOSWZUZSWLNN-ZCBFZEDMSA-N 409.483 0.938 30 20 HCED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1838217030 RLGQCVOAJVAKCV-HXUWFJFHSA-N 410.434 0.369 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838385453 XASCBECDNFKRKF-SNRMKQJTSA-N 423.554 0.281 30 20 HCED CC(C)(C)OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838732591 WCMLZZBGRSOXGR-FQEVSTJZSA-N 404.467 0.771 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839078031 HKSYLHZZHQCYFD-FIKGOQFSSA-N 409.527 0.158 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839176052 TZCLIUCAIKVCEH-NRFANRHFSA-N 419.478 0.646 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839838798 SMEZLXGBEPUELR-PXNSSMCTSA-N 411.568 0.704 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(Br)CC3)C2)C1 1840163180 NQXVYPLKRBNVCC-FZMZJTMJSA-N 407.330 0.689 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3C[C@@]3(F)Cl)CCO2)C1 1840245389 KKXMKQUFMFYYOJ-WXRFYESLSA-N 418.893 0.940 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840292499 UHZVNIWJYANUTK-HXUWFJFHSA-N 404.467 0.571 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840560413 YSJXGPLJEGASHM-HXUWFJFHSA-N 406.483 0.029 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnc(Cl)c4)C3)C2)CCC1 1840813296 RLYBZOFFZMTKJM-LJQANCHMSA-N 419.869 0.894 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840886438 IWJNARROOVOBDZ-NRFANRHFSA-N 421.494 0.726 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@]23COC[C@@H]2CN(C(=O)OC(C)(C)C)C3)C1 1841081882 ACUMFXLSBRRBOE-BTYIYWSLSA-N 403.479 0.707 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C1 1841233343 YGVRPZQKBCEAEQ-GMYLUUGSSA-N 411.524 0.485 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ncn(-c3ccccc3)n2)C1 1843480835 ZWUQIFRSJJDGJJ-KTKRTIGZSA-N 420.473 0.943 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2nccnc2C(N)=O)C3)c1 1844726556 VVTDPWPNTZKXRN-UHFFFAOYSA-N 420.429 0.587 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)OC)C1 1846513499 SOEAQVRQUNXLMK-CQSZACIVSA-N 422.482 0.462 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979774 JUWZGMRMDHBYKK-KRWDZBQOSA-N 414.462 0.292 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NS(=O)(=O)CC 1847785713 YIJZQBLVJQFYFF-ZQDZILKHSA-N 401.529 0.089 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)CS(C)(=O)=O 1847822600 PDCVPCOVRSTCIO-KKUMJFAQSA-N 400.497 0.378 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCNC(=O)c3ccco3)CC2)cc1 10451801 OJTPUGFYDXMHOD-UHFFFAOYSA-N 416.459 0.804 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCOC[C@@H]2CCCO2)CC1 107575894 XKKFQILPCGYTON-KRWDZBQOSA-N 407.492 0.977 30 20 HCED CSc1nc(C2CC2)cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1C#N 116000090 FTMMISDTLMKWHK-UHFFFAOYSA-N 423.564 0.860 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)n1 439605122 XNKMSVXWNDBUGS-UHFFFAOYSA-N 409.494 0.994 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)C1=O 440282805 NBAHLSFSAGTVCO-INIZCTEOSA-N 416.478 0.646 30 20 HCED CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[C@@H]1O 446072115 SPWGXZKJRHWTCY-SFHVURJKSA-N 420.535 0.484 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2=O)n1 461359568 AFZADRLFFNAINR-INIZCTEOSA-N 404.434 0.985 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 464957123 WHDFGXVSJVDDAL-RYUDHWBXSA-N 411.388 0.732 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 472939082 YMSMFWXYFHCMJA-JLTOFOAXSA-N 410.434 0.792 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 475473940 WNSMSWWJMULELW-UHFFFAOYSA-N 411.480 0.355 30 20 HCED Cn1c(CCC(=O)NCCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 477390049 BWYPHPWQOSKQRA-UHFFFAOYSA-N 405.480 0.557 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 478899062 JEUZVCSOHYPUFI-AWEZNQCLSA-N 413.400 0.800 30 20 HCED COCC[C@@](C)(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480231904 SBLXCNMOTSUONY-LJQANCHMSA-N 409.508 0.863 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 480519544 BWPRIDHXHXQWTJ-PBHICJAKSA-N 418.519 0.990 30 20 HCED COc1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1C 480832609 KTBWMBXROQGRCF-UHFFFAOYSA-N 410.478 0.882 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nnc(N3CCOCC3)s2)cc1 481516140 HJIIJOVSJYYXTK-UHFFFAOYSA-N 407.477 0.336 30 20 HCED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nnc(N3CCOCC3)s2)c1 481525650 FIXYLWTYSAYORD-UHFFFAOYSA-N 407.477 0.336 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCc2ccccc21 481528074 LMVRODYYHMXQNQ-AWEZNQCLSA-N 412.471 0.931 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481897840 UUTWNLIWPFMUGO-QWHCGFSZSA-N 401.510 0.507 30 20 HCED CC(C)N1CCC(O)(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 483093050 VKWDFMIJRSAOEP-HNNXBMFYSA-N 408.524 0.577 30 20 HCED N#C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C[C@@]12C(=O)Nc1ccccc12 489061392 IBHCCONVWNMIGG-WHEQGISXSA-N 415.409 0.854 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(C(N)=O)co3)CC2)cc1 490528930 UYJMAKDXLKTTQE-UHFFFAOYSA-N 416.459 0.967 30 20 HCED COC(=O)Cc1csc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)n1 497489312 OPOXVCMKDCUVMU-UHFFFAOYSA-N 400.464 0.886 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2csc(N(CCOC)C(C)=O)n2)c1=O 504527284 LBEMQHKUZAGSJU-UHFFFAOYSA-N 421.479 0.048 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 509238816 ILODTGLTMOOLIC-CVEARBPZSA-N 410.544 0.900 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 512712700 SNBWXUJFUHBQIE-UHFFFAOYSA-N 407.478 0.370 30 20 HCED N#Cc1nc(N)n(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1C#N 515012563 ZJXIUAXMFBSBMO-UHFFFAOYSA-N 410.413 0.131 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 516027996 LDZQJGNQWKDSPA-UHFFFAOYSA-N 413.459 0.493 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)c3ccsc3)CC2)C1=O 523381887 CZIAYMOSOSWQJR-UHFFFAOYSA-N 404.448 0.446 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CCC(=O)OC)C[C@H]2C)c1 540323483 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412.446 0.187 30 20 HCED CC(C)CN1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCN2C1=O 564531521 TYQYCPKZVUCBOE-INIZCTEOSA-N 419.507 0.441 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 568945044 HJCSYCGMDHHJJA-UHFFFAOYSA-N 406.512 0.504 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)C1=O 573329010 CIDGYAYJBXGENB-IRXDYDNUSA-N 416.453 0.288 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 573344917 KRCJZGIOUIWCMP-UHFFFAOYSA-N 421.929 0.945 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3n[nH]c(C4CC4)c3C#N)CC2)cn1C 574785800 UHSPZEAMCZTYLK-UHFFFAOYSA-N 417.495 1.240 30 20 HCED C=CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 578137444 IYXATINDKZSFIS-UHFFFAOYSA-N 409.295 0.873 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncc(F)cn3)CC2)cc1 581342109 WOQYPPQIELOMEV-UHFFFAOYSA-N 404.427 0.114 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 608866036 WFHIQNMESANPTC-MRXNPFEDSA-N 411.510 0.854 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1=O 726042201 FWTRPZUZDMXUGV-UHFFFAOYSA-N 415.318 0.665 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1=O 726042986 IOCUJMMFQOVQGQ-LBPRGKRZSA-N 401.375 0.736 30 20 HCED CC(CCN1C(=O)c2ccccc2C1=O)=NNC(=S)NCCN1CCOCC1 730946506 ZDVOOHMAEFJFLJ-UHFFFAOYSA-N 403.508 0.845 30 20 HCED COC(=O)CCc1nc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)no1 733428801 WNWFRYSYEYUEJY-UHFFFAOYSA-N 408.392 0.069 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@H]1CCN(CC(F)(F)F)C1=O 735713413 NLRVWZTZZVYCET-NSHDSACASA-N 405.354 0.543 30 20 HCED Cc1ccc(N2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 741618666 DMDBFERUYLTNOO-MRXNPFEDSA-N 412.471 0.955 30 20 HCED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 742320554 GOJDMCHSEVQXSY-UHFFFAOYSA-N 419.381 0.973 30 20 HCED C=CCOCCCC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 745530146 KNGPSIMMTQIXAR-UHFFFAOYSA-N 402.455 0.538 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 747984065 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HCED C#CC[C@@]1(C(=O)N(C)C[C@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 764613565 QCPRGILWXMBREL-UWJYYQICSA-N 409.527 0.931 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc2c(c1)OCO2 769212597 MQPOCGFMNLVHEN-UHFFFAOYSA-N 417.399 0.747 30 20 HCED CC(C)(C#N)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773652317 NQNJXSFSLQPPDE-UHFFFAOYSA-N 403.482 0.457 30 20 HCED O=C(NCC#CCNC(=O)c1cc2c(cc1O)OCO2)c1cc2c(cc1O)OCO2 773788104 YVFZAJLFYCQQBE-UHFFFAOYSA-N 412.354 0.718 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 773943451 OKZGISBQMGPCRC-SOUVJXGZSA-N 407.492 0.903 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 773955392 RHLYFBTYQCPARJ-CQSZACIVSA-N 416.482 0.952 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)O[C@H](C#N)Cc2ccc(F)cc2F)n(C)c1=O 774344496 RBQSGIQWKMMCGG-LBPRGKRZSA-N 403.345 0.390 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCCOC)ccc1F 777015888 JYJNKJRYROOSES-HZPDHXFCSA-N 416.471 0.840 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 778702310 VKVYDLLIMYJRCX-MELADBBJSA-N 420.470 0.904 30 20 HCED COc1ccc(C(=O)NCC(=O)NS(=O)(=O)CC2(C#N)CCCC2)cc1OC 782646075 RQRXQJLJESFBRZ-UHFFFAOYSA-N 409.464 0.964 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 782802409 JQBARTFQMNTIDG-UHFFFAOYSA-N 424.870 0.391 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 783186660 VWULRWBHQPJJSX-ZDUSSCGKSA-N 403.526 0.898 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 783619042 ZHPIWOHPIHCHSQ-OAHLLOKOSA-N 416.521 0.475 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccn(CC(F)F)n3)CC2)o1 789150432 ILACLURBUOLLKN-UHFFFAOYSA-N 408.365 0.822 30 20 HCED N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 792584658 XVVWTFYJTKQWPD-INIZCTEOSA-N 401.854 0.989 30 20 HCED CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3cnccc3C#N)CC2)C1=O 793672809 IUJUVZKHFJNRNM-HXUWFJFHSA-N 414.466 0.687 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCCCC1 793701829 PHTJHILQTAGRHH-LPHOPBHVSA-N 411.506 0.766 30 20 HCED Cn1cc(N2CCC[C@H](OC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)cn1 795323459 GOMZPNZVFPVVNN-INIZCTEOSA-N 417.447 0.309 30 20 HCED COC[C@@]1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 796210366 BWFPLGVEIYQPSS-PBHICJAKSA-N 418.516 0.461 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 796457385 ALYXJDBVLRBTMV-YWZLYKJASA-N 403.435 0.622 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)c1 797054171 FOYYAQLOOJMSMI-UHFFFAOYSA-N 422.441 0.795 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)C2CCN(C(=O)OCC)CC2)C1=O 807829422 WXZUEOHQWIHPSX-GOEBONIOSA-N 408.499 0.605 30 20 HCED N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)nc1 813709394 KGYSWDDRAXEFEO-WBVHZDCISA-N 404.423 0.533 30 20 HCED N#C[C@H](C(=O)NC1CC1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920109918 KVZLCLJHYFEFPS-LRDDRELGSA-N 420.447 0.983 30 20 HCED CN(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=NS(=O)(=O)c2ccccc21 926192657 HDOVYHMVWFTTJK-UHFFFAOYSA-N 417.447 0.266 30 20 HCED O=C(NCCCc1nnc2n1CCCCC2)NCCN/C(O)=C1\N=CC=CC1=O 1116173025 PDNIFHIBMYYZGK-ISLYRVAYSA-N 401.471 0.763 30 20 HCED COC(=O)[C@@]1(F)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1116223771 DLLXYLLPORXRKO-AUUYWEPGSA-N 402.382 0.877 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1117689818 WYWLHRXRYYXBCB-IVPXEPLCSA-N 417.388 0.613 30 20 HCED COC(=O)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)Oc1ccc(Br)cc1 1163272895 KBSFLQBSFIKLNA-GFCCVEGCSA-N 423.223 0.740 30 20 HCED O=C(N=C1NS(=O)(=O)c2ccccc21)C1CCN(c2ccc3nnnn3n2)CC1 1251485942 GPNHMYMMCXJNIM-UHFFFAOYSA-N 412.435 0.001 30 20 HCED CS(=O)(=O)CCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316347222 KPZZHXIPSGVGGU-HOCLYGCPSA-N 408.528 0.393 30 20 HCED N#CCN1CCC[C@H](CNC(=O)CSCC(=O)NC[C@H]2CCCN(CC#N)C2)C1 1341760516 QETTVONRHWCCJC-QZTJIDSGSA-N 420.583 0.423 30 20 HCED N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCN1C1CC1 1454764275 RQTJHKWUIBAUGQ-KRWDZBQOSA-N 418.519 0.644 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1541119702 QSYKWUQDEZIPDN-AWEZNQCLSA-N 408.528 0.964 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c(=O)nc1O 1544146056 JVYUUAQLHQGZII-AWEZNQCLSA-N 401.810 0.786 30 20 HCED CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547246858 DJTJBPFWELLWTN-INIZCTEOSA-N 414.514 0.217 30 20 HCED CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1558639149 IMBCCEXOKONKBD-CYBMUJFWSA-N 405.455 0.974 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1593807783 NDNJSLYPKACJSE-IAQYHMDHSA-N 404.924 0.603 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(NC2CCOCC2)CC1 1650838569 USRHOUWPOQAYMO-UHFFFAOYSA-N 420.535 0.875 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCOC1 1706880577 VLOCLJHLSWYNMY-XKQJLSEDSA-N 412.516 0.170 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CCO1 1711360959 SHNKXPDYIOILES-SFHVURJKSA-N 420.477 0.973 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCN1CCCS1(=O)=O 1712455128 QKXKSXCBOBFWSE-UHFFFAOYSA-N 420.499 0.137 30 20 HCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1750203542 KINIAJSFHPDTLF-OAHLLOKOSA-N 402.480 0.563 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOCC2)C1 1771530744 SQNHRJLBXLVLHD-IBGZPJMESA-N 405.478 0.565 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777827657 UTHOIYFLLJWSFX-JOCHJYFZSA-N 416.441 0.620 30 20 HCED CN1CCN(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)CC1 1778262276 XUKJBKCXKWCHFZ-JOCHJYFZSA-N 411.506 0.249 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778590505 ZPRIKSHUPXSMMR-SNUQEOBHSA-N 404.496 0.570 30 20 HCED Cn1ncc2cc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)ccc21 1778707024 ITOPGJLYRWQVQC-XMSQKQJNSA-N 424.457 0.789 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1780786939 LCVMKTCNIJUDIN-KYFSNAEOSA-N 407.511 0.712 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1[nH]nc3ncccc13)C2 1782010510 XDLFALKHEDLBRH-JLTOFOAXSA-N 411.418 0.173 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1782709479 NYWJKVZOQUNVGX-BTUAIKHXSA-N 424.498 0.850 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCC)NC(C)=O)C1 1783184735 PRDFYZXLJFPJEJ-ITBLURSFSA-N 421.538 0.843 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1788659844 VRSVKPRNCHJYDA-MREOJOQOSA-N 419.482 0.461 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Cn3cncn3)[C@H]2C1 1788723954 CSMAQFJUINVICJ-ADHGMGHFSA-N 420.514 0.695 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)c1 1789344528 ARAJBFKKXVMJKW-YMZMDHBOSA-N 412.494 0.951 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1 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0.835 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 481776297 HZENNSXONNSMFK-LBPRGKRZSA-N 411.447 0.722 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc3ncccc3c2)c1=O 489199300 XVCPVCWPOJQQKR-INIZCTEOSA-N 420.494 0.793 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)CC#N)CC2)c1 504546630 OAKUTJRSFYRVBW-UHFFFAOYSA-N 406.508 0.899 30 20 HCED COc1ccc(S(=O)(=O)N[C@@](C)(C#N)CSC)cc1[C@@]1(C)NC(=O)NC1=O 508000999 UNVJARPUVQPHRN-JKSUJKDBSA-N 412.493 0.673 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 509634106 BOAXHGYADGHQAN-OLZOCXBDSA-N 406.555 0.827 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)n1 513266861 JOCKAAGAYGBKMI-UHFFFAOYSA-N 412.341 0.743 30 20 HCED CCCS(=O)(=O)NC1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 524251647 MORARVBBVOZALE-QGZVFWFLSA-N 404.492 0.984 30 20 HCED CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 539375220 RVIVYAKYQZORMO-ZWKOTPCHSA-N 408.499 0.653 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 544119629 BANVQDGUULGGSS-GFCCVEGCSA-N 418.449 0.745 30 20 HCED CC[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC(=O)N1 544465154 SWCPMODWIXEAPM-HOTGVXAUSA-N 404.492 0.696 30 20 HCED COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697688 MBWLEIPNDIJHJR-UHFFFAOYSA-N 408.396 0.836 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 549265674 HOYJWTSEVCRBFR-UHFFFAOYSA-N 423.481 0.792 30 20 HCED CCNC(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 551469704 UJAGREBVYAXFDG-MRXNPFEDSA-N 409.450 0.985 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1 559446575 DRBNYYWFYDHAFO-UHFFFAOYSA-N 410.499 0.083 30 20 HCED CSCC[C@@H](C(=O)NCCn1cnc(C#N)n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 561274060 LPIHALNTYOEQHX-MJBXVCDLSA-N 404.496 0.563 30 20 HCED Cc1ncc2c(n1)CCN(C(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 561708245 YQYNLMKMZIOBAS-IBGZPJMESA-N 418.457 0.459 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)nc1 564556098 IUEUJRZZHHVQPH-OAHLLOKOSA-N 412.537 0.521 30 20 HCED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 570077593 AUWMBZALUHEZCB-HOCLYGCPSA-N 401.442 0.377 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 573516192 FNYZGPULLPADNB-UHFFFAOYSA-N 408.462 0.256 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 583637159 DIJHFMPGBUSBIM-CVEARBPZSA-N 415.469 0.909 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN4CCC[C@H]4C3)C2=O)cc1 585725554 VCCUKFYIKQDLJD-NEWSRXKRSA-N 409.490 0.913 30 20 HCED CN(CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)S(C)(=O)=O 588361949 YBKRBBRFDFWEIU-UHFFFAOYSA-N 417.285 0.657 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccnn1C 589211866 HQVDUDSWFVVJCG-KRWDZBQOSA-N 409.494 0.891 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 608968395 UNOUMIUBKLELHY-UHFFFAOYSA-N 402.480 0.930 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 610899756 JSJCFLPSHHEJQO-YJBOKZPZSA-N 421.523 0.293 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccccc2COC)c1=O 613979415 MSLLVHJIDVSCEL-UHFFFAOYSA-N 400.435 0.007 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)c1 642354770 MGNHCHZUTAFBHJ-INIZCTEOSA-N 422.551 0.823 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c1 674420326 UCPIYYWIHHKYGA-OAHLLOKOSA-N 406.464 0.259 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)[C@@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 729187217 WCLQQFGCEKKRIM-CQSZACIVSA-N 407.386 0.992 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C3CC3)c2=O)cn1 732563464 ZOYIYBSWWFULQB-UHFFFAOYSA-N 409.471 0.874 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 733149951 ZTDHONWRPRVGBD-UHFFFAOYSA-N 418.881 0.922 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CC(=O)NCCOC)C1=O 743513441 GDFROXASTUAHDS-AWEZNQCLSA-N 410.471 0.964 30 20 HCED CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 743918489 SFIVLWBMMUYFMU-BUHFOSPRSA-N 420.447 0.814 30 20 HCED CC(=NOCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1cnn(C)c1 747832817 YRBPGEWCLHHCPI-UHFFFAOYSA-N 424.483 0.299 30 20 HCED C#CCN1CCN(C(=O)CN(C)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 748814791 HBWXMTOPQOQREB-UHFFFAOYSA-N 407.536 0.568 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ccc([S@](C)=O)cc2)c1=O 749968137 JZTZIGBXIJBFAJ-NDEPHWFRSA-N 404.492 0.371 30 20 HCED CO[C@@H](C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 750157301 ULEGOGSRAMQYTB-AWEZNQCLSA-N 409.464 0.359 30 20 HCED Cc1oc(NC(=O)COC(=O)COc2ccc(S(N)(=O)=O)cc2)c(C#N)c1C 750181463 WTPBDYLZZXNEIX-UHFFFAOYSA-N 407.404 0.976 30 20 HCED COC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1C#N 756175686 AREHSDTYMPBQAE-UHFFFAOYSA-N 406.420 0.409 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)COCC(=O)NCc2cccnc2)C1 756885136 KLHWAUMKEDZAIB-JKSUJKDBSA-N 417.466 0.590 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)CC1 756959488 LDJYUYLYVGENIW-USGNIVHTSA-N 402.495 0.721 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(S(=O)(=O)CC)cc2)CC1 756978404 ZUTKOAGIWMNVNH-UHFFFAOYSA-N 405.520 0.306 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758055997 SKUVFANLMDCZAC-UHFFFAOYSA-N 403.385 0.742 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)ccc1OC 759449807 LMFBJFSAJPHONV-INIZCTEOSA-N 424.523 0.570 30 20 HCED C#C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)[C@H]1CCCO1 760516330 IGOJAKPKPWWEJW-OKZBNKHCSA-N 421.519 0.513 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCSC[C@H]1c1cnn(C)c1)c1cc[nH]n1 772647042 BKWQORKJMVDQHH-AWEZNQCLSA-N 406.468 0.744 30 20 HCED C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCCO1 775322675 FKDDCAQBMSLRAZ-HOTGVXAUSA-N 408.476 0.813 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COC2(CCOCC2)O1 777425690 LHOKUYSBLHVVFD-ZFWWWQNUSA-N 409.464 0.263 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCN2C(=O)COc3ccccc32)cc1 778739770 RDSWZOHLXFJKTF-UHFFFAOYSA-N 415.427 0.805 30 20 HCED C[C@@H]1C(=O)N(C)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 779275577 DDYRWOPJXQFEOH-CQSZACIVSA-N 406.508 0.975 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 783617098 YVLJFZNAXWQLIK-FQEVSTJZSA-N 417.487 0.845 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)CCN2CCOCC2)cc1C#N 784284371 KRUVBSJHHAFOQZ-UHFFFAOYSA-N 403.439 0.856 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 784823015 PZYZKUFVDZEWSO-INIZCTEOSA-N 419.457 0.189 30 20 HCED COC[C@@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 784949202 VOHBGCWYSYLSBW-OAHLLOKOSA-N 409.464 0.381 30 20 HCED C=CC[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccncc1 786650481 YEXAIAYELRHVSS-LJQANCHMSA-N 423.521 0.934 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 791177726 CPCJDWOILUFZAP-UHFFFAOYSA-N 401.448 0.572 30 20 HCED N#Cc1ccc(N2CCC(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c(F)c1 795870341 ZCQFDJVDPFYTCF-UHFFFAOYSA-N 424.498 0.692 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1=O 799177418 NNTSRVMRYWBEKD-IIBYNOLFSA-N 413.478 0.594 30 20 HCED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 807406051 DWXXQAQHUDCOFL-UHFFFAOYSA-N 409.446 0.342 30 20 HCED COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1=O 808541702 OREJHNGKZKKJKR-HNNXBMFYSA-N 422.445 0.412 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCCCC3)O2)CC1 809677467 POLKDSYZXGKURO-KRWDZBQOSA-N 422.526 0.015 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2cccc(F)c2)cc1 810142701 QGQULUZGDGQAAK-HNNXBMFYSA-N 407.423 0.532 30 20 HCED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250103 IJLPVDCOVYRPPB-UHFFFAOYSA-N 407.402 0.351 30 20 HCED Cc1cc(C#N)cnc1C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 816002771 BSEFVDVLSQOCQQ-UHFFFAOYSA-N 408.823 0.898 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 916893201 XRGYHBYEHRDEFE-QGZVFWFLSA-N 407.492 0.867 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 984135053 TWPLKVOIWIUPAQ-HUMWAPLFSA-N 414.462 0.429 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)CN3CCCC3=O)CC2=O)cc1Cl 1137456526 QTGOMPZYAAQDTN-HIFRSBDPSA-N 404.854 0.664 30 20 HCED Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)ccc1C#N 1212136176 JDBZGVDHYHEIQD-HNNXBMFYSA-N 414.505 0.996 30 20 HCED Cc1c(C#N)cccc1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1256653346 PJCMHGSVFYXPHU-MRXNPFEDSA-N 405.476 0.355 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 1297324147 ZEVYBYPRKFGERB-CQSZACIVSA-N 408.871 0.733 30 20 HCED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)CC1 1309494891 ULHVMYTVYHKMNT-UHFFFAOYSA-N 409.420 0.494 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nnc(-c2cccc(C#N)c2)o1 1319288760 DBKFTBXYDXDWGT-HNNXBMFYSA-N 403.464 0.733 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)C1 1510291080 JSFXTTCQSJQKOG-KXBFYZLASA-N 420.539 0.836 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)CCO1 1521130454 WJPBHDHIGPKZQH-WFASDCNBSA-N 406.443 0.491 30 20 HCED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1524703154 ARNPIGQMQZLEQV-HNNXBMFYSA-N 401.448 0.808 30 20 HCED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1)OC 1619598499 MWJWNVSHGFSSAT-OALUTQOASA-N 412.494 0.999 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@@H](O)c3ccnn3C)CC2)CC1 1620444631 IUXDSUPXKVDTEP-TZIWHRDSSA-N 402.543 0.858 30 20 HCED CN1C(=O)C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@H]1c1cccc(Cl)c1 1641968008 MVEFPEQKFDDYMA-GOEBONIOSA-N 415.837 0.810 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705753232 VALSFDLXRLLRAB-HNNXBMFYSA-N 421.933 0.726 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1711420462 UQOIYARQGBLGOM-CYBMUJFWSA-N 417.495 0.033 30 20 HCED COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c1 1711929393 YZHIATAZQMQQOI-BBRMVZONSA-N 420.495 0.674 30 20 HCED 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C[C@@H]1OCC[C@@]1(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 447735730 GUZGLCMMNBXLFL-IFXJQAMLSA-N 407.492 0.615 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)cnc21 460775172 QAQACWJRVSOBIE-UHFFFAOYSA-N 424.402 0.287 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1OC 461485960 JWUBWSHKOVVPQW-OAHLLOKOSA-N 424.523 0.724 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(CC(=O)N2CCCC2)CC1 462092443 XBORXTMKKGFZMK-UHFFFAOYSA-N 422.493 1.219 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC(C)(C)N1CCS(=O)CC1 462111149 YKJAWIVZDUHCBN-UHFFFAOYSA-N 415.523 1.412 30 20 HCED COC(=O)[C@@H](C)CS(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 465396018 CKMOXMLILZOFOA-ZDUSSCGKSA-N 405.480 0.987 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc(C#N)cc1Cl)C2 466579846 VEQQHWSYKUUHHR-UHFFFAOYSA-N 403.830 0.706 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2cc(C#N)ccc2F)s1 469567469 SWTFYWRIKLLDAZ-UHFFFAOYSA-N 424.479 0.990 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)CN(CCC#N)Cc2ccccn2)CC1 471235752 UNMDTEAHANTDDY-UHFFFAOYSA-N 400.527 0.856 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 472442733 CWBQRRRYTLJWFW-CQSZACIVSA-N 419.488 0.806 30 20 HCED C=C(C)COCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 474299444 PLUSYUBHYMOPNH-UHFFFAOYSA-N 404.510 0.579 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C(=O)OC 481785239 WQKANGKSCCIBJX-PJSUUKDQSA-N 409.483 0.984 30 20 HCED Cc1cccc(N(CCC#N)C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1C 482054695 JHHUFBLVWBTVAM-MRXNPFEDSA-N 412.450 0.577 30 20 HCED COCCn1nnc2c1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 499022161 FTFBWMDPCKJSTO-CYBMUJFWSA-N 418.479 0.048 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)CCOCC(F)(F)F)CC2)o1 499134913 JBODHDPPZPBKMF-UHFFFAOYSA-N 419.404 0.377 30 20 HCED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC(F)(C#N)CC1)CC2 506550046 RMOQKQMFHHYCPP-UHFFFAOYSA-N 408.455 0.728 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(F)(F)F 507053961 RMOYHONRWRGXHG-NSHDSACASA-N 410.349 0.574 30 20 HCED Cc1c(NC(=O)CSCC(=O)NCC#CCO)c(=O)n(-c2ccccc2)n1C 510066515 RPHQOHUUCWACFY-UHFFFAOYSA-N 402.476 0.268 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 511681484 OMKDWCAHPQMDMK-OAHLLOKOSA-N 408.480 0.081 30 20 HCED C[C@H](NC(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCCCC1 513665650 GPQREMRKDHVKHK-PONJGIIJSA-N 409.490 0.849 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(Cc3ncc[nH]3)CC2)CC1 514306432 IMNBZIVJAGPQAX-QGZVFWFLSA-N 413.551 0.998 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCN(C4CC4)C3)CC2)cc1 522304011 JQKVCPYCLWIUHO-MRXNPFEDSA-N 403.508 0.811 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)o1 527524521 JFKPIOPNMDNOLJ-UHFFFAOYSA-N 413.482 0.972 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)n1 536971749 CBEVCLWOHJASFC-UHFFFAOYSA-N 410.482 0.737 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536975804 SYYMHXRLIGKUCA-HNNXBMFYSA-N 403.531 0.838 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 537489232 KSWHDXNZOCPEDW-KRWDZBQOSA-N 410.478 0.687 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@]1(N2CCOCC2)CCSC1 541895573 RVRAHSXTTHWCHG-GOSISDBHSA-N 407.544 0.645 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 545912953 PAKPQLUXTKPEIY-UHFFFAOYSA-N 408.414 0.758 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 546200409 JJZKPSPBCGCSHP-CQSZACIVSA-N 419.463 0.616 30 20 HCED COC(=O)c1cn(C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)nn1 546812076 UNOVTYSBGCDANR-GOSISDBHSA-N 417.514 0.394 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1 551796759 ANVQMTCKMDQZPJ-CABCVRRESA-N 411.480 0.088 30 20 HCED COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)NCC(=O)NCC#N)c2)cc1 553424588 JNNLZHWNUOPOFW-UHFFFAOYSA-N 418.431 0.571 30 20 HCED C=CCOC[C@@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1=O 557416164 AHMYHQZNBSZBKC-CVEARBPZSA-N 416.482 0.405 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc1 567032866 BJRUSXAODFAKCH-UHFFFAOYSA-N 413.415 0.531 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)CC1 574792127 UKJLXZFVCLYFLX-ICSRJNTNSA-N 414.506 0.327 30 20 HCED CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 585772431 LVMYOPDRWUHHNG-UHFFFAOYSA-N 413.478 0.840 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 603996344 ACGORWLCAWOPTH-UHFFFAOYSA-N 411.483 0.445 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 610806093 QEFUZGLVFYSWGL-QGTPRVQTSA-N 406.508 0.283 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)c(C)c1 611643298 LKBJXNCOIUAEKC-IKGGRYGDSA-N 407.492 0.487 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCc3nn(CC)c(=O)cc3C2)cc1 674479995 JLWKAIUEAVLQMB-UHFFFAOYSA-N 409.446 0.702 30 20 HCED N#C[C@@H](C(=O)CCCCNC(N)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729068908 BQPCOBBJUHFAMN-INIZCTEOSA-N 416.438 0.791 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1ccc(=O)n(C)c1 729191127 KOKSWXFYEAPZOK-UHFFFAOYSA-N 422.397 0.922 30 20 HCED CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1F 741452419 HPJUFEKPLJTFFV-OAHLLOKOSA-N 423.514 0.961 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 747733154 KKIOYTKFYGFFSI-UHFFFAOYSA-N 406.442 0.612 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 747849897 HIFAFIZBECIIAL-UHFFFAOYSA-N 418.924 0.894 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCOC1 749862982 UOLUBTWWYHPCAP-KBPBESRZSA-N 400.504 0.798 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1C#N 752392892 AFXQJUTVZAMEMP-OAHLLOKOSA-N 402.455 0.427 30 20 HCED C[C@H](CC(=O)NC[C@H]1CCCCS1(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 752844798 YJBAJZLDAFFROT-CHWSQXEVSA-N 413.521 0.587 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1CCS(=O)(=O)CC1 753580000 IIVOCADWJDUADP-LBPRGKRZSA-N 400.478 0.593 30 20 HCED CN1CC[C@@H](C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 754772318 CCAVJLBBGCYUFF-SNVBAGLBSA-N 400.254 0.994 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n1 756751842 XLBLYUDUYJWHQL-PWSUYJOCSA-N 411.465 0.272 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 757493730 ZHJVFTIQKMGXNQ-UHFFFAOYSA-N 413.883 0.182 30 20 HCED CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(=O)(=O)c1cccnc1 757574325 DVXSAZJGCWBOCQ-HIFRSBDPSA-N 423.495 0.577 30 20 HCED C#CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cnn(CCOC)c2)c1=O 758070880 IRBRPIJVMDQVOB-UHFFFAOYSA-N 412.515 0.894 30 20 HCED CN(c1ccccc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)S(C)(=O)=O 758260576 MFSKKPGXMMKAPZ-FOCLMDBBSA-N 407.452 0.730 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758776108 LRGQRPZDCNFOMW-JKSUJKDBSA-N 422.530 0.597 30 20 HCED C#CCN1CCN(C(=O)Cc2ccc(CC(=O)N3CCN(CC#C)CC3)cc2)CC1 764126183 GLBKBBVUHVRUDG-UHFFFAOYSA-N 406.530 0.326 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncs2)c1=O 767871833 ITJHEMKJVBZMLD-UHFFFAOYSA-N 404.517 0.575 30 20 HCED COCCN(CC(=O)O)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 769458910 CCQRWSQBHMOZMY-CQSZACIVSA-N 411.480 0.699 30 20 HCED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(Cl)c1OC 771896627 DVAIHOHJHGZZBC-UHFFFAOYSA-N 416.843 0.067 30 20 HCED CC(C)C1(O)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 773904863 IJGDCTIVYYPCRQ-UHFFFAOYSA-N 406.508 0.094 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)n1 786013907 IZIHMENHTJDIPP-UHFFFAOYSA-N 421.461 0.388 30 20 HCED N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787058586 GPFNKTTXESRBAW-DETOBHCWSA-N 422.397 0.727 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C)C(F)(F)F)CC1)c1cc[nH]n1 789992432 LBQLLILDLDOCAQ-NSHDSACASA-N 405.377 0.789 30 20 HCED C#CCn1ccc(CN(CC)C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)n1 793984005 SNCROVRSVOVNFY-IBGZPJMESA-N 401.467 0.480 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 799287808 TYKSMNIMIDHDMY-ZDUSSCGKSA-N 413.883 0.709 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800044331 YSGYWRGCMFRNOO-HNNXBMFYSA-N 414.553 0.737 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 800055909 GTFGSDNZWIUICD-CYBMUJFWSA-N 413.422 0.257 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 801292856 MOYGZTGOVWYCOC-UHFFFAOYSA-N 405.466 0.871 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)nc1 808156655 NLRLPWPKUPWDKP-QGZVFWFLSA-N 421.461 0.184 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CN/C(=N/C)NCCN2CCOCC2)s1 849055877 JWSJUFUJOMMVSL-UHFFFAOYSA-N 417.601 0.776 30 20 HCED C/N=C(/NCCCN1CCN(C(=O)OC(C)(C)C)CC1)NCCN1CCOCC1 849069877 UBQHJXGOSNTLPS-UHFFFAOYSA-N 412.579 0.426 30 20 HCED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCNc3ccc(C#N)cn3)cc2)[nH]1 915194288 IJPMQJRBDAUFGA-UHFFFAOYSA-N 420.429 0.990 30 20 HCED COc1c(F)cc(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1S(N)(=O)=O 915546177 UQBRYOCHADUNAI-QGZVFWFLSA-N 415.443 0.622 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2ccc(C#N)cn2)c2ccccc2O1 918265599 TVMRRXGSKPLVCQ-INIZCTEOSA-N 408.418 0.022 30 20 HCED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1300395374 MHAXBEAEFWEFAR-MRXNPFEDSA-N 420.495 0.574 30 20 HCED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(F)(F)F 1319195330 JLICFPOIZZRPGY-UWVGGRQHSA-N 406.386 0.408 30 20 HCED COC[C@H](Cn1cncn1)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1357599279 SLBRBKYXIQJJSQ-HOTGVXAUSA-N 412.406 0.613 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCO1 1360708419 WFOYGYOEAGQQLC-BPUTZDHNSA-N 423.543 0.244 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1503635340 KFULRBAVFLSJQE-SFHVURJKSA-N 405.480 0.449 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCOCC1 1510177828 TXXNKHGGYBWLFC-CYBMUJFWSA-N 412.516 0.170 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCC1 1541675736 WBEUWNKMGVLJDU-INIZCTEOSA-N 401.515 0.898 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@]2(O)CCSC2)c1 1555988257 VIRYVUIVAPUHMX-GOSISDBHSA-N 419.532 0.920 30 20 HCED C[C@H]1NC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)=NN(c2ccccc2)C1=O 1557895514 MTPPOXHSQKHVDG-GFCCVEGCSA-N 408.422 0.395 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 1626971956 SEJUUFRYYFISBO-SOLBZPMBSA-N 407.492 0.685 30 20 HCED COc1ccc([C@H](CNC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)N2CCCCC2)cc1 1652907015 WSMAVMNXPLFVAZ-SFHVURJKSA-N 411.462 0.760 30 20 HCED CC(C)[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1706872050 VRJCTSPBBAYCMJ-VBNZEHGJSA-N 402.496 0.737 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1750079875 XSLTYGGKAINTMU-HNNXBMFYSA-N 418.523 0.799 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1750387415 YKRMVVIUTGRZFL-CABCVRRESA-N 422.511 0.210 30 20 HCED Cc1nccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1751807913 YWNWEIXHOTXDCL-SUMWQHHRSA-N 424.506 0.926 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1778326749 LIJKZJHLFUUARG-UXHICEINSA-N 409.458 0.799 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1ccc3nncn3c1)CCO2 1779135679 DEDIEMQKENFGOH-LWOHLBADSA-N 422.445 0.885 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197764 JCQIVMRJSBQBNB-YWZLYKJASA-N 402.451 0.441 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)cc1 1779307065 HUCVBFGKALJRRJ-DYESRHJHSA-N 409.446 0.562 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(CC)noc3C)C2)C1 1779631554 TYMHXBYHLRMXMH-NGXITPROSA-N 416.478 0.847 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)c2cccn2C)C1 1782613330 XUGTYUXYOHTHNG-RADWXHQJSA-N 415.490 0.760 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)CCO2 1783050333 QXDBCXYFPRUFGM-IERDGZPVSA-N 421.494 0.476 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1 1783683140 PSIWAXNGYQMRQJ-LUKYLMHMSA-N 423.466 0.011 30 20 HCED C#CCO[C@@H](C)C(=O)NC1(c2ccc(NC(=O)C[C@H]3NC(=O)NC3=O)cc2)CCC1 1786760469 MDTGMHNNJISEDQ-XJKSGUPXSA-N 412.446 0.757 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1788755871 XAVWYWQOKCODIC-QZHFEQFPSA-N 410.474 0.842 30 20 HCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C[C@@H]21 1791267888 CVZGVUVDVSPTCU-VJANTYMQSA-N 422.478 0.264 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(OC)OC)c1 1793169562 LJCWMUUJMFTNNR-SCAQPMJSSA-N 403.435 0.389 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCC(=O)N2)c1 1795289426 JLTBNXIZDGWGCG-QFNVCVKDSA-N 410.474 0.795 30 20 HCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)cnn1C 1795597784 DUBHTGOIYMGEIZ-SCAQPMJSSA-N 402.499 0.214 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N 1796043584 XETCLHOKVYYSKN-LVQVYYBASA-N 412.556 0.587 30 20 HCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cncnc2)C3)c1 1799745070 PCHRFOGXYLQMSK-CWPLJXCYSA-N 409.421 0.933 30 20 HCED CC(=O)N/C(C)=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1800173672 ZIUGJLSCMMSPPZ-RHABUHQKSA-N 417.506 0.315 30 20 HCED C[C@H](CN)C(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1807145059 FYXCUKKCVSCDBW-KBAYOESNSA-N 400.527 0.964 30 20 HCED Cn1ncnc1C(=O)N1CCCC2(CCN(C(=O)C(C)(C)NCCC#N)CC2)C1 1807952308 XAAGFKRUMSHJGS-UHFFFAOYSA-N 401.515 0.942 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC=O)[C@@H]1c1cccnc1 1808454457 HFOYITWSMVJCAD-VDZJLULYSA-N 416.478 0.731 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810398487 DHECQYHRRQUHIP-XQWFKHRNSA-N 408.414 0.888 30 20 HCED N#Cc1ccc(CC(=O)N[C@H]2CCc3nc(NC(=O)CNC(=N)N)sc3C2)cc1 1814813422 JHAGFEXHFMDOLT-ZDUSSCGKSA-N 411.491 0.653 30 20 HCED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)CC[C@H](N)C(N)=O)sc3C2)CCC1 1815070846 ZFEXRENXCPROQV-QWRGUYRKSA-N 404.496 0.342 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)CC2 1825024933 ZNENLZMPTGHWEY-JTQLQIEISA-N 401.404 0.458 30 20 HCED CN1CC(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C(C)(C)NCCC#N)CC3)C1 1827266970 NJPWERLYKCYBCF-CYBMUJFWSA-N 404.540 0.899 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NNc1ccccc1)CCO2 1829814081 NKHNAHUDOGFHLJ-GQIGUUNPSA-N 422.551 0.766 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829901489 FCNKQOAMUMBFGY-IERDGZPVSA-N 400.479 0.152 30 20 HCED CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830014438 YUBKKUGAZIWQCP-HXUWFJFHSA-N 410.515 0.150 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1831216195 ZIGVCLRSSSGVGQ-HXUWFJFHSA-N 416.503 0.899 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831223406 QTOSEYDFURLJER-QHCPKHFHSA-N 423.469 0.807 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1831499482 UOIAQICHNRJLTB-XCJDPYLSSA-N 420.535 0.901 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)cc1 1831756516 UECCJEGTPGXWKT-OAQYLSRUSA-N 409.446 0.594 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cn[nH]c4)CCO3)C2)cc1 1832944321 HKZAOECCBNSNDY-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CC(N)=O)CC2)CC1 1833465100 LLMOYYGNGDHBSS-HZPDHXFCSA-N 406.527 0.108 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cccnc4C(N)=O)CC3)CC2)CC1 1833919636 RZKSBJNIFXFGJT-UHFFFAOYSA-N 424.505 0.669 30 20 HCED Cc1noc(C)c1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341175 RQPCBDBPFZGHQX-OAQYLSRUSA-N 416.478 0.984 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cc(C)[nH]n3)CC2)CC1 1835784786 HIXJBAVSXLIPFJ-KRWDZBQOSA-N 415.538 0.871 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)C4)CC3)CC2)c1 1836171525 OLQXRYIUTLCXFD-HNNXBMFYSA-N 412.494 0.208 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836184059 AUHDUCWJNJNLGP-UTKZUKDTSA-N 403.479 0.672 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837192143 DXMQSIAKCVBZGI-HXUWFJFHSA-N 412.450 0.578 30 20 HCED C[C@@H](Cn1cccn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837222068 OLYGSWKSGAFXGD-INIZCTEOSA-N 416.478 0.606 30 20 HCED O=C(/C=C/C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837524693 GEZFVMWTDYOFBE-JGOZPJNCSA-N 421.494 0.938 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838047921 CYFNPNTWZHRULF-HXUWFJFHSA-N 410.434 0.455 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838638913 RVMARKBROXNWTF-IERDGZPVSA-N 416.478 0.608 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950411 TZQFBDRDCQDOKZ-WIYYLYMNSA-N 400.479 0.626 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839371697 LCRYQNBLVJZCLZ-OAQYLSRUSA-N 416.430 0.287 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839453672 YASQLHQTSRTKGI-OAQYLSRUSA-N 411.414 0.025 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1839840371 APGFAZYZERDTHU-SUMWQHHRSA-N 404.410 0.765 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840162281 RILHCZNJXLGSKZ-DIFFPNOSSA-N 423.520 0.475 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840212274 DZSYGFPXGUFCBX-HRAATJIYSA-N 417.462 0.428 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840227094 FRQXTLYZTUUPHM-AVRDEDQJSA-N 419.522 0.737 30 20 HCED NC(=O)[C@H](N)CCC(=O)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262084 MIYASFTWOWEPGC-MRXNPFEDSA-N 402.882 0.488 30 20 HCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730747 DAPOCCLXAQWJFL-KRWDZBQOSA-N 417.469 0.850 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCN)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1842910544 ONPMQWSGBIBCLH-CQSZACIVSA-N 407.515 0.982 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 19430472 QTVVVBLQPKHWFB-UHFFFAOYSA-N 406.351 0.838 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)n1 426805483 BWMGZJOZTSOLKF-UHFFFAOYSA-N 417.389 1.473 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O)S(=O)(=O)c1ccc(C#N)cc1 427923676 GSLBHXCUGZWCAD-DLBZAZTESA-N 405.476 0.775 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435479601 CWIJGORVWZBNSF-UHFFFAOYSA-N 415.494 0.953 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463772225 ZUFJWEQTZQFRKD-VQIMIIECSA-N 400.479 0.654 30 20 HCED N#Cc1cccn(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1=O 467203553 ACQLFOKGRXUTST-UHFFFAOYSA-N 416.459 0.057 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 470949477 WTSLPTORTDRVCP-MSOLQXFVSA-N 404.492 0.845 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 472966388 SPDMQBUBIDVXCM-JLTOFOAXSA-N 403.435 0.928 30 20 HCED Cn1ccnc1N1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 477010725 HPXTWXHARNXJEQ-UHFFFAOYSA-N 401.492 0.992 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 477231089 XZZUCFVPGQUOJA-UHFFFAOYSA-N 412.487 0.690 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c1 484622675 SMOPHRULDMRVEC-UHFFFAOYSA-N 401.513 0.534 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H](COCC4CC4)C3)n2)cc1 486709225 LBIMXKAQGRELPG-GOSISDBHSA-N 424.461 0.791 30 20 HCED CSCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)N(C)C 494799818 LUPMPGFYXWEDFQ-AWEZNQCLSA-N 412.537 0.737 30 20 HCED Cc1onc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1C#N 498501476 AFXCYGBVPHQPBV-UHFFFAOYSA-N 406.420 0.762 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1=O 500020015 PCHPDWPRWOFRDX-IBGZPJMESA-N 414.506 0.494 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccsc2)c1=O 505698959 FFUOAFJHBAKLCE-UHFFFAOYSA-N 411.512 0.784 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 506591071 NOXAKHQOLLXDOV-OKZBNKHCSA-N 418.519 0.883 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 508842625 YNRGZKKMKOMPJN-CQSZACIVSA-N 413.548 0.658 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 510252531 HGXCEJBWKQEAOI-UHFFFAOYSA-N 422.463 0.632 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 511432041 ZWQDCGSKUPTMBE-MQVJKMGUSA-N 406.508 0.929 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C[C@H](C)C#N 513376219 MUFWLMUOGRNQAI-OAHLLOKOSA-N 423.495 0.909 30 20 HCED C=CCCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 518229823 YMSUSKCSVXBEMC-AWEZNQCLSA-N 423.491 0.832 30 20 HCED Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)cn1 531159514 FCBUNUKOXRQLCY-QGZVFWFLSA-N 418.461 0.961 30 20 HCED Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)n(CCC#N)n1 532603320 LONXBSOFJWXYEC-UHFFFAOYSA-N 409.494 0.982 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CCNC3=O)nnc12 534110167 VAWMDQWZCYNTKH-CQSZACIVSA-N 412.475 0.669 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cnccn2)CC1 543241246 LTWHPWVCFGWCIJ-UHFFFAOYSA-N 410.434 0.661 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543986855 BVPUXMKPKDHKRW-HNNXBMFYSA-N 424.461 0.936 30 20 HCED N#CCc1ccc(OC[C@H](O)CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 554836147 CAHTWXNVACVSQN-HXUWFJFHSA-N 422.485 0.854 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)cc1 555541730 STVXYEIXGWLSTG-IQSDECSOSA-N 402.472 0.060 30 20 HCED Cc1c([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C 556292852 VLYYQRKMVJIKDL-ACJLOTCBSA-N 408.462 0.695 30 20 HCED CC(C)N=c1[nH]c(N2CCN(c3ccc(C#N)cc3Cl)CC2)nc(=NCCO)[nH]1 561319579 IQVWTASGOMUIOP-UHFFFAOYSA-N 416.917 0.792 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCSC[C@@H]3CCO)C2=O)cc1 562889747 MWCVKPIUVXFTSO-DLBZAZTESA-N 416.503 0.496 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CN1CCCC1 585735724 NJHBTTNNHBUQCE-HNNXBMFYSA-N 414.510 0.920 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc([N+](=O)[O-])cc2)cc1 589408149 SRCKULCPSXFJPW-UHFFFAOYSA-N 404.404 0.940 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 605134425 MBHZKYVPYHGEPY-MRXNPFEDSA-N 403.464 0.420 30 20 HCED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609541387 NVCNVXMZXGYLQW-UHFFFAOYSA-N 402.454 0.535 30 20 HCED COC(=O)CCCc1nc(CS(=O)(=O)CC(=O)Nc2cccc(C#N)c2)no1 609551302 DJLJXJYICMKXIP-UHFFFAOYSA-N 406.420 0.990 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3(C#N)CC3)CC2)cc1 609990673 GWKIPHQRKQFGTQ-UHFFFAOYSA-N 404.492 0.781 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 613156676 CTALBJMBLWFKEP-BFUOFWGJSA-N 408.422 0.981 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)Nc3nc(C)n(C)c3C(=O)NCCO)CC2)o1 619868093 VRUOINXYESEEBL-UHFFFAOYSA-N 415.454 0.474 30 20 HCED COCC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 726301347 UCRRNLUARLHXJI-IQQDNESTSA-N 410.496 0.979 30 20 HCED CNC(=O)C[C@H]1S/C(=N/CCCN(C)c2ccccc2)N(CC(=O)NC)C1=O 726406645 LHPZAVRBRBUWHC-GYKMOOBXSA-N 405.524 0.695 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCc2cccc(COC(C)C)c2)CC1 728570665 JRBFBUAMOPUHGN-UHFFFAOYSA-N 400.523 0.595 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 729256758 HFICTHVCZUNBQO-OAHLLOKOSA-N 409.483 0.272 30 20 HCED N#C[C@@H](C(=O)c1cccc(NC(=O)NC2CC2)c1)C(=O)N1CCS(=O)(=O)CC1 732910288 OBTPXCYEFOYVER-HNNXBMFYSA-N 404.448 0.550 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCn1cnc2ccccc2c1=O 735336714 FFCCJPYPIVCUOL-UHFFFAOYSA-N 412.427 0.678 30 20 HCED C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 739071720 WLWMJKBUVMRQDC-ZDUSSCGKSA-N 411.466 0.776 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCCn1cnc2c(N)ncnc21 748862129 AKYYWONWOUQXGH-UHFFFAOYSA-N 415.435 0.192 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 758055508 QERNITRJWPYPEN-AWEZNQCLSA-N 411.483 0.206 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2c(=O)nc(O)c3ccccc32)C1 758771311 NRPMWKCUSWNLKB-JSGCOSHPSA-N 413.434 0.977 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(Cc3ccon3)c1=O)OCO2 758953693 FZEWQSHZDLHUMN-UHFFFAOYSA-N 408.395 0.710 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNC(=O)c1cccnc1 766369257 MOGXXKRQVSRKKR-CYBMUJFWSA-N 402.432 0.593 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 766983159 VEXNMTIYRACNIG-UHFFFAOYSA-N 420.447 0.626 30 20 HCED C#CCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 767300035 BGCYSTHKOPRMLD-UHFFFAOYSA-N 411.549 0.801 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629802 JZOXQFYHSISQHE-SCLBCKFNSA-N 406.464 0.823 30 20 HCED N#Cc1ccc(OC[C@H](O)CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)cc1 768479827 IQCQXURONSIXCT-OAHLLOKOSA-N 401.419 0.906 30 20 HCED COCCCNC(=O)Cc1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 771058669 RRGQSPHPQZCYMI-UHFFFAOYSA-N 421.479 0.436 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)C1=O 772195570 RRPYHKXKXWKANK-CHWSQXEVSA-N 408.455 0.867 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCCSC 772300054 MMOLEVYLHWINDG-UHFFFAOYSA-N 415.544 0.765 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 777296891 OIIVYEDULLGCTG-GFCCVEGCSA-N 404.423 0.983 30 20 HCED C#CCCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 779519278 JRHZLRIKGLUNOD-LPHOPBHVSA-N 407.536 0.627 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)c1 783463574 DVMRGIPMQCPPNG-UHFFFAOYSA-N 407.365 0.476 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 783480765 LXEIVVBHVNBLMC-JTQLQIEISA-N 414.386 0.339 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 785156424 DWDQIGJQYASXEL-UHFFFAOYSA-N 407.492 0.956 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCCO1 786659479 ZVNIATKAHMHQOP-HUUCEWRRSA-N 404.467 0.044 30 20 HCED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 796273684 DWZJZYWLURIFRU-UHFFFAOYSA-N 424.435 0.759 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2[C@H]3COC[C@H]32)c1 797378057 JEESQDRFJHMUJS-HLHPRMDXSA-N 406.464 0.199 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 798952439 FZUNICMFTIORBG-UHFFFAOYSA-N 405.296 0.769 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N(C)C[C@H](C)C#N)CC1 800009271 LEEICEGLJPFBIN-CQSZACIVSA-N 417.532 0.430 30 20 HCED C[C@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)S(=O)(=O)C1CCOCC1 802781923 IVKXMIKVLNBVHE-SNVBAGLBSA-N 404.441 0.485 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2ccnc(N)n2)C1)c1cc[nH]n1 803234391 LFMWNECXYPDZOM-LBPRGKRZSA-N 401.427 0.472 30 20 HCED C#CCNc1nc(NC[C@H](C)c2nncn2C)nc(NC[C@H](C)c2nncn2C)n1 804644648 MVFXQSANKWUOEQ-STQMWFEESA-N 410.490 0.605 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)[C@H]1CCCO1 807969154 MCOPIXMQSCLBQH-RCCFBDPRSA-N 419.428 0.869 30 20 HCED COC(=O)N1CCC([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 811193486 GDYKORNDIHPQRQ-ZDUSSCGKSA-N 408.480 0.820 30 20 HCED C[C@H]1C(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCCN1Cc1ccccc1 814883612 TYJISWZTVIQPSU-AWEZNQCLSA-N 419.507 0.403 30 20 HCED C[C@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)n1cccn1 815912475 NITYSVUPIWEJJH-RHSMWYFYSA-N 424.461 0.952 30 20 HCED C#CCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 817926420 IMNXOMQTXMFVPI-UHFFFAOYSA-N 412.855 0.320 30 20 HCED NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 824483088 HNJZRKKLAVITRQ-INIZCTEOSA-N 412.471 0.554 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(C)C 914687530 QGEOUBWESUXMDE-SJLPKXTDSA-N 424.567 0.967 30 20 HCED Nc1nc(Cl)c(C=NNc2ccc(S(N)(=O)=O)cn2)c(N2CCOCC2)n1 914697054 CCRGYOYGOLCZTQ-UHFFFAOYSA-N 412.863 0.037 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 916891226 SSPWWVJVLQVUSJ-GXTWGEPZSA-N 419.434 0.537 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)nc1 918390268 CQEXEKNPLLLXPL-SFHVURJKSA-N 403.446 0.722 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)n1 921304009 NAXKODDYTZGGLJ-JTQLQIEISA-N 407.433 0.141 30 20 HCED C=CCCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 960698735 GFYKLFFGYQJZCP-AUCOVLEWSA-N 413.478 0.329 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1Nc1nccnc1C#N 1052780908 SMMGDKORHZDYCI-CTCGLCKVSA-N 405.462 0.912 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncnn1C(C)(C)C 1288171059 WBJKSCAQYHWLCD-ZDUSSCGKSA-N 401.475 0.540 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCN(Cc2cscn2)CC1 1318455357 RIWAVAKUEBQWDF-WUKNDPDISA-N 404.496 0.887 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1343988644 HYILNHRXNIJNID-UHFFFAOYSA-N 414.487 0.611 30 20 HCED Cc1cc(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)nn1-c1cccc(C#N)c1 1468406030 SHWMFDCQBTXLDA-UHFFFAOYSA-N 421.504 0.936 30 20 HCED CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCC1(C#N)CCOCC1 1472339217 XQZOUNCBZDQYFC-UHFFFAOYSA-N 414.505 0.555 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC 1519161394 IMOXXVFGQIGQRL-IRXDYDNUSA-N 420.514 0.932 30 20 HCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@H]1OC 1519502931 ZMGANVKKXJSWIW-LVCYWYKZSA-N 412.494 0.733 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1521057107 XCENZCHNBIJXOA-KSSFIOAISA-N 424.502 0.923 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1545146199 QAAMWTNFJNQNEJ-IFXJQAMLSA-N 417.491 0.591 30 20 HCED N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)CC1 1555995147 YNWSDSXUKKGAHD-UHFFFAOYSA-N 409.441 0.912 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)N3CC[C@@](O)(CC#N)C3)cn2)CC1 1562356777 XSPLJMGOXQOQKV-KRWDZBQOSA-N 408.484 0.046 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566235338 PYIHERYWKREPSY-RDJZCZTQSA-N 420.897 0.716 30 20 HCED CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1643404607 XHIVQIDLOBHNQS-UHFFFAOYSA-N 406.443 0.692 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@@](O)(CC#N)C2)c1 1651091596 QPDGEOKWMBKLJD-IBGZPJMESA-N 422.507 0.264 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)Nc2cnc(OC)c(C#N)c2)CC1 1672975731 SXWUCTTYTWPSSM-UHFFFAOYSA-N 410.452 0.936 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC1 1691008853 OGRMHOMECGWNDE-INIZCTEOSA-N 401.515 0.861 30 20 HCED CCc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)no1 1694590069 YCYVZDIXZXCBTI-SJKOYZFVSA-N 423.474 0.810 30 20 HCED CC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1722761158 PKUYACGBHCSESD-CVEARBPZSA-N 401.471 0.216 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1C[C@@H]1C 1723952443 LGIFGCBTUZINRR-TTZDDIAXSA-N 407.544 0.721 30 20 HCED CC(C)NS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1741714267 NOGNDZLQXHMKKU-MRXNPFEDSA-N 419.511 0.320 30 20 HCED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1748170878 KLHRGYGWZPIIFJ-INIZCTEOSA-N 405.466 0.956 30 20 HCED CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1752476676 PVFDLSZPKMFGSZ-INIZCTEOSA-N 420.481 0.884 30 20 HCED CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)C1 1767696843 UFUPKHTVWNAZMP-VBCSKYIJSA-N 411.528 0.849 30 20 HCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274811 HLDAOOIFOHWLMF-DENIHFKCSA-N 412.490 0.631 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778448272 SPWAQMHXOXIGCH-YWZLYKJASA-N 414.466 0.974 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1778952081 BDOXLZHXQPFGTM-VGOFRKELSA-N 412.490 0.576 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)CN1CCSCC1)CCO2 1779132991 OEVFAFCSBWPYQA-JLDPKJTDSA-N 420.535 0.577 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccccc1 1779182889 FYMHOGIWFQIMRH-XMSQKQJNSA-N 411.506 0.497 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780174452 IOCXFCZWCDDKLT-DYESRHJHSA-N 415.494 0.929 30 20 HCED CC(=O)O[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C(C)C 1780335101 OFHSHROBFDNWNI-XLIONFOSSA-N 402.451 0.918 30 20 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835795857 PGQNJMICFWUTHW-LIRRHRJNSA-N 424.523 0.368 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835823762 ZOGALOHETOBYBP-XAUMDUMWSA-N 407.536 0.504 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccc1C=O)CCO2 1835957570 ACTJAJORVVWQAK-VCBZYWHSSA-N 409.508 0.636 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)no3)CC2)CC1 1835973242 QMJKUXYQWLEHRX-AWEZNQCLSA-N 404.467 0.604 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835998786 ASSVSTBFESRNNK-NRFANRHFSA-N 401.463 0.108 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836101218 ZSYGVHQOSMNUJO-UHFFFAOYSA-N 424.505 0.851 30 20 HCED Cn1cnc(C(=O)N2CCC(N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)CC2)n1 1836167279 VFZYMRDSESGYDP-UHFFFAOYSA-N 410.482 0.514 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3nnc(C)o3)CC2)CC1 1836857400 OPRFRASDLDWOHF-OAHLLOKOSA-N 418.494 0.957 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1837392347 DGUPOWNWEJKYJW-KSSFIOAISA-N 410.496 0.181 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1838384590 GHASIQPQKQNGRJ-CRAIPNDOSA-N 409.527 0.693 30 20 HCED Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838393596 ZNWMMPKERNCUQK-FQEVSTJZSA-N 419.482 0.335 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(F)c[nH]4)C3)C2)c1 1838742216 YRQBQUUNUMLKHA-LJQANCHMSA-N 401.398 0.737 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1839224765 OMEWCUOSUCNITI-KXBFYZLASA-N 407.471 0.210 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882614 PANOADWSEOJSDR-OAQYLSRUSA-N 407.511 0.737 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccs3)C2)C1 1840040836 ANKBAZZIWJLECV-LJQANCHMSA-N 406.460 0.225 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840159889 PXMAWLLGJXNSHK-YJYMSZOUSA-N 408.524 0.677 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1840160606 NBXBXXDUAWCAKR-DCGLDWPTSA-N 414.553 0.718 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1840168743 OQQMWLZUGXYJTN-PZJWPPBQSA-N 408.495 0.834 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840174923 HWDDYEUOTNWSSI-NRFANRHFSA-N 411.462 0.913 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840592842 JEOUTBXBMMTEGH-QHCPKHFHSA-N 412.486 0.800 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648698 YVSVVTJURFTINU-YJYMSZOUSA-N 407.492 0.174 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840783948 FJQKFHAADPGGRK-OAQYLSRUSA-N 404.438 0.801 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840840188 DJORUTOVRCQCSE-OAQYLSRUSA-N 411.462 0.301 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840840634 YIVFOVGKNHQQEA-OAQYLSRUSA-N 416.478 0.004 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C2 1841601043 FRXKXMXUNMVIRH-CVEARBPZSA-N 423.510 0.504 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1843407316 FXXKMQVYWBIDID-OCCSQVGLSA-N 422.507 0.502 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1844155767 PCYMOMUBKPRKMB-KRWDZBQOSA-N 400.435 0.369 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)CCc1cccc(C#N)c1)C2 1844383056 JTULPVPZCAXPFK-LJQANCHMSA-N 412.490 0.845 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nc3ccc(F)cn3n2)C1 1845727900 ARLPDMOWZGQEFI-SREVYHEPSA-N 412.425 0.544 30 20 HCED CC(C)[C@@H]1C(=O)NCCN1CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 111039914 WDTYLTMEVMGSMM-GOSISDBHSA-N 421.523 0.552 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cc1 116294943 SEOWEYCBDCJVHE-UHFFFAOYSA-N 414.443 0.066 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 144202090 ORFTXBBIOCXCNN-UHFFFAOYSA-N 415.450 0.091 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)CCO1 409512420 JJRKPBORRSCQDN-BXUZGUMPSA-N 418.397 0.647 30 20 HCED CC[C@H](CCNS(=O)(=O)N(C)C[C@H](C)C#N)NS(=O)(=O)N(C)C[C@@H](C)C#N 409566996 HHBYFLDLVFEACA-QLFBSQMISA-N 422.577 0.007 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)c1 428088064 ZWSHCCIDEXGTKX-SOKVYYICSA-N 422.532 0.830 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)nn1CCC#N 429776133 RMMAPTBKERHZRQ-IBGZPJMESA-N 424.505 1.451 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)s1 435442168 JTJAQLUHONAQMK-CYBMUJFWSA-N 405.523 0.435 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C#N)c1C 436222614 VHXYSEYYSQKGCH-ZDUSSCGKSA-N 415.450 0.388 30 20 HCED C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 437416812 FVIAKAXBFKLHAT-RHSMWYFYSA-N 400.435 0.257 30 20 HCED C[C@](C#N)(NC(=O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)C1CC1 439283077 IUHVWGVHTIJUAX-CQSZACIVSA-N 411.450 0.246 30 20 HCED CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 440705774 QASJKYIWUJCNDT-UHFFFAOYSA-N 403.830 0.723 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)c1 447263388 JANRIMTUAASVHR-UHFFFAOYSA-N 413.869 0.879 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 462098112 TZDONDCXONKCIN-INIZCTEOSA-N 409.450 1.303 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)n1 464017630 JSLQNWZWHFSWGJ-ZDUSSCGKSA-N 412.425 1.509 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 469971327 DUZQWNQBCLYXJB-CABCVRRESA-N 402.499 0.916 30 20 HCED CCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478854891 YZMOHPBLWFWFBU-AWEZNQCLSA-N 400.504 0.942 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cccc(OC)n2)c1=O 479400456 RLIKAXMVKUPYBD-UHFFFAOYSA-N 422.466 0.912 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 482202280 BUPZJHGOIRSJBI-CQSZACIVSA-N 402.480 0.293 30 20 HCED CCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 484631429 SWBXWNRHEIWYFA-UHFFFAOYSA-N 417.560 0.522 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 485408390 QDTNATPWMISECV-KBPBESRZSA-N 401.492 0.519 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)CCOCC1 486195264 OZSMPKXZLBXKKZ-UHFFFAOYSA-N 407.448 0.538 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCn1cc(S(N)(=O)=O)cn1 503188221 GSPHKFXFESFBOR-UHFFFAOYSA-N 404.496 0.383 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 504031984 BBEVRDSCNPBVDU-UHFFFAOYSA-N 424.457 0.982 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nnc(C(C)C)s3)CC2)c1C#N 512061674 VVNXDJOQBCQVSC-UHFFFAOYSA-N 416.511 0.540 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1F 514524331 CGBGPXSIASRDLU-UHFFFAOYSA-N 424.457 0.699 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cccc1-n1cnnn1 516484664 JOYQBUDJOYIEEL-UHFFFAOYSA-N 417.433 0.525 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 533489475 XYLKCHWSVBHOAR-SFHVURJKSA-N 424.486 0.967 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1-n1cnnn1 546907579 VUMRAHHCDPNAFF-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)N1CCOCC1 550278626 ZCKUXNAUBCYLEU-HXUWFJFHSA-N 413.522 0.680 30 20 HCED Cn1c(=O)c2nc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)[nH]c2n(C)c1=O 552479149 JLSYNBANRPGMET-UHFFFAOYSA-N 421.461 0.683 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CC1 553674522 IKOKVEZKYFSBFH-UHFFFAOYSA-N 415.494 0.330 30 20 HCED N#Cc1ncn(CCNC(=O)NCCNC(=O)c2cccc(Br)c2)n1 554290384 QNHMHEMNRCZGKM-UHFFFAOYSA-N 406.244 0.641 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCCO1 564043610 ARTQZQNODLKTRW-QGZVFWFLSA-N 414.510 0.219 30 20 HCED N#Cc1ccncc1N1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CC1 569185020 PUJAKVMNZKJTFP-UHFFFAOYSA-N 413.419 0.214 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc1 579045952 SUZBCFYFHGUZTN-INIZCTEOSA-N 404.473 0.598 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 580370159 WACNJKYMOZOXCU-NJAFHUGGSA-N 400.479 0.786 30 20 HCED CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)NCC(=O)NCC#N)cc2)CC1 582233215 NELRSDHYOPDKAG-UHFFFAOYSA-N 415.450 0.863 30 20 HCED CN1CCC(n2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n2)CC1 583471839 CSXZOELGXPLWFI-UHFFFAOYSA-N 402.480 0.938 30 20 HCED COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2 588036906 XQBSGXOHGGDFKI-QGZVFWFLSA-N 421.457 0.730 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[C@@](F)(C#N)C2)c(O)nc1=O 615639499 TYDCUDFBNDOECE-GOSISDBHSA-N 410.450 0.248 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 672355897 PRTVMLULUVTRGJ-UHFFFAOYSA-N 408.524 0.465 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1OC 729877638 AIKDGXSNVNTVDH-GFCCVEGCSA-N 413.452 0.286 30 20 HCED CN1CCC(C#N)(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 730092691 PPKOXQWTURMTSK-UHFFFAOYSA-N 410.471 0.564 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[S@@](C)=O)nnc12 730103172 ZBKSFKFWVZNYHD-HHHXNRCGSA-N 405.505 0.817 30 20 HCED Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732154864 VGRADDVMVZCMLM-KIJUOZEOSA-N 413.413 0.547 30 20 HCED C#CC(C)(C)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 733979125 PVYXQRGZBOHOPL-UHFFFAOYSA-N 423.473 0.582 30 20 HCED C[C@@H]1CN=C(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)S1 744609210 JZFDOCASBCCMHH-GFCCVEGCSA-N 407.521 0.361 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 749968076 FWBLRSNJNNZDCL-MRXNPFEDSA-N 405.480 0.294 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758367147 XXUCRVXCNAENMV-OLZOCXBDSA-N 417.532 0.763 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 760034708 XIOWRAYNMZHGDX-AEGPPILISA-N 422.507 0.433 30 20 HCED C[C@@H](O)c1cn(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 762974839 QYDJWQWNKWJZKW-GFCCVEGCSA-N 412.429 0.859 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 764080402 VWTGMCVGXPPWTN-JZJYNLBNSA-N 409.512 0.641 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 765491284 VXPPCKYXACOCRC-CMTMBAJVSA-N 408.455 0.655 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629803 JZOXQFYHSISQHE-UGSOOPFHSA-N 406.464 0.823 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCCO1 773555712 HPLIAAACPJDQPY-DLBZAZTESA-N 422.463 0.792 30 20 HCED C#C[C@H](NCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)[C@H]1CCCO1 775795153 MNJVOAXOWRJZOL-NWDGAFQWSA-N 419.459 0.757 30 20 HCED C#C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775807287 QRNPPZDEBZUAJJ-QZTJIDSGSA-N 407.492 0.416 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2cccc(F)c2C#N)CC1 778373964 GJRBHDXRWFFPKH-UHFFFAOYSA-N 404.442 0.913 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)CCn3cc(S(N)(=O)=O)cn3)C2=O)cc1 778793599 SGGKNNLLUFHULP-MRXNPFEDSA-N 417.447 0.531 30 20 HCED C#CCCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 779519281 JRHZLRIKGLUNOD-QFBILLFUSA-N 407.536 0.627 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CCn3c(=O)nc(O)c4ccccc43)nc12 782201705 RTGIAKWHIXOSTA-UHFFFAOYSA-N 406.358 0.856 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(C)(C)C)cc1 784186885 KHDUGRFLSKDHSP-KQWNVCNZSA-N 423.539 0.942 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@]3(O)CCc4ccccc4C3)CC2)o1 792792961 VWDJSEAOMLLONM-JOCHJYFZSA-N 424.457 0.967 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 793596445 YZEMNXRWPNXOKB-UHFFFAOYSA-N 400.414 0.215 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 798037056 VDRUGQNICVBICT-ZWNOBZJWSA-N 410.272 0.990 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)C(C)C 798557739 YFIXBJUPLOIXSP-HNNXBMFYSA-N 420.491 0.691 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)C1=O 801368375 FWYGUMNERRIPPI-CQSZACIVSA-N 414.418 0.590 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1)[C@@H]1CCCO1 804119710 JPDBDWLPCIFVIC-ICSRJNTNSA-N 412.490 0.268 30 20 HCED 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COc1ccc([C@@H]2C[C@@H]2C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800774383 ZSMQEPHIQPMNNA-DQJZQPOSSA-N 412.442 0.476 30 20 HCED CSCC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1801027228 PDZGKEXSECKJQW-DMUMMCEESA-N 402.516 0.742 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]2c2cccnc2)CC1 1807021567 KTBRTWDUDQCXJG-GOEBONIOSA-N 421.394 0.116 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1808854223 ZQZJWBRDIKTPJU-SIIHOXLZSA-N 414.466 0.764 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1CCCC2(CCN(C(=O)C#Cc3ccccc3)CC2)C1 1809822694 HCUZQPNTIIWUQY-IBGZPJMESA-N 410.518 0.862 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)CC1 1824967437 QITSZONQFUOTLT-NVXWUHKLSA-N 418.494 0.196 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])CC2 1825666480 DKQNULKCUBFYMD-ZETCQYMHSA-N 404.364 0.088 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc(C)c(C)[nH]c4=O)C3)C2)C1 1829663846 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411.466 0.534 30 20 HCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(F)F)CCO3)c(C#N)c1 1834918224 XVOUPARDRNACTK-HXUWFJFHSA-N 423.416 0.831 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCC5)CCO3)C2)CCC1 1837097310 BDECYIVQZJYILF-OAQYLSRUSA-N 413.478 0.593 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1837192142 DXMQSIAKCVBZGI-FQEVSTJZSA-N 412.450 0.578 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838146992 JHMKPZWKKLLEIV-DYESRHJHSA-N 420.510 0.873 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838735095 VUZOZHKCPBSORG-NRFANRHFSA-N 409.446 0.974 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(C)C)n3)CCO2)C1 1838780582 JKURQLCGTXYALL-LAUBAEHRSA-N 418.494 0.572 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)n[nH]1 1838907379 OQJFKUVMCIUWPC-JOCHJYFZSA-N 423.473 0.903 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839224518 LJEZBTAZGQVNKB-BOSXTWCSSA-N 412.531 0.617 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@](=O)c3ccccc3)C2)C1 1839810282 OVZWVNZDAJPSQC-PYFSPHLCSA-N 404.488 0.272 30 20 HCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1F 1840159303 YHTDWYAONHKPBS-YVEFUNNKSA-N 400.476 0.256 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840341456 PFJLGTWAWHEAMM-HYIIBOEBSA-N 408.524 0.834 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840366686 XQAIFTCZNAGSOT-KKSFZXQISA-N 400.479 0.384 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H]4CCOC4)CCO3)C2)CCC1 1840592239 ZWYQQOPBWXDDRD-DYESRHJHSA-N 405.495 0.953 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812281 IUKSNAOTEBXXKS-FQEVSTJZSA-N 401.467 0.492 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1841601046 FRXKXMXUNMVIRH-JKSUJKDBSA-N 423.510 0.504 30 20 HCED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1)c1ccccc1 1841960450 ZRMYKTFLGAQDIN-ZWKOTPCHSA-N 422.485 0.985 30 20 HCED O=C(c1cnc(O)nc1O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300363 AISZPCSIWPQESZ-IEEVUCOHSA-N 405.411 0.234 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1845071308 WGSXSEYEZAAVIT-IRXDYDNUSA-N 415.538 0.873 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847766206 WTYDLVNEWUOBJU-FEGUVQJSSA-N 420.510 0.794 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 10602924 VYSNFFSUDMWISM-UHFFFAOYSA-N 421.431 0.927 30 20 HCED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 57937520 ZQZVBIANBAIANG-UHFFFAOYSA-N 422.507 0.548 30 20 HCED N/C(=N/OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(Oc2ccccc2)nc1 109938977 SWUZIJAOUGQCRV-CQSZACIVSA-N 404.448 0.814 30 20 HCED CCN1CCN(C(=O)CC2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC2)CC1 410132307 UCLKQUBUVVZWAW-QGZVFWFLSA-N 413.588 0.979 30 20 HCED C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 435242648 MRSYARSBJQYWPH-AWEZNQCLSA-N 414.441 1.001 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc2oc(=O)n(C)c2c1 439019769 LXIIXFGBAUXELY-UHFFFAOYSA-N 417.385 1.470 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)C1=O 440261546 YPSFRHCVNAVOCB-INIZCTEOSA-N 416.478 0.971 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1=O 440275640 KDQBBEHESGWLNS-INIZCTEOSA-N 401.467 0.371 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3[C@H]4CC[C@H]3CC(=O)NC4)n2)c(Cl)c1 441532712 LHURIWPWMSGVTE-STQMWFEESA-N 412.837 1.215 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)cc1 441982605 WVZIRCLYKZDESK-HXUWFJFHSA-N 405.451 0.750 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 443527644 BPWWRHQOUNJKPN-GFCCVEGCSA-N 416.253 0.373 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 472193395 LXTLCHUBKJOMBI-UHFFFAOYSA-N 422.536 0.809 30 20 HCED Cc1nn(C)c(N2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CC2)c1C#N 472439883 VINJNCYVIUEQIN-UHFFFAOYSA-N 405.440 0.482 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCn3nc(O)c4ccccc4c3=O)CC2)c1C#N 472693444 XIYPQFSBOQVWOQ-UHFFFAOYSA-N 421.461 0.755 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 480383204 LETTXOWXBXRQSB-ZDUSSCGKSA-N 416.434 0.376 30 20 HCED CN(C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 484203453 QTEARSHDJCHAEN-GUDVDZBRSA-N 411.506 0.764 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)c(C)c1OC 488240932 ILPFXKBPPLXMIG-UHFFFAOYSA-N 401.488 0.800 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 488816599 DKDCWPLTUUMHIV-OAHLLOKOSA-N 404.496 0.691 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)no1 489067365 DUKMLYYNSBQYFH-UHFFFAOYSA-N 407.427 0.939 30 20 HCED C=CCN([C@H](C)C(=O)N1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(OC)cc1 494061816 ZLFMVXJQDHCERL-OAHLLOKOSA-N 409.508 0.951 30 20 HCED CN(CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 502019021 QOMXXAOFTLLRMF-SFHVURJKSA-N 418.519 0.854 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCC[C@@H]2C(N)=O)CC1 506094500 HSRFTIBLQWSODP-OAHLLOKOSA-N 412.450 0.795 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 508807944 FNGDSQYISYSNBZ-CQSZACIVSA-N 402.480 0.748 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 510287161 BIQNRJPJBRFSAD-GOSISDBHSA-N 405.524 0.667 30 20 HCED Cn1cc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C(F)(F)F)n1 512505046 WGFLPHLDDKYBIZ-UHFFFAOYSA-N 421.383 0.671 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)C 514522744 YOFPZNFCYHGUJA-CQSZACIVSA-N 400.504 0.615 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 514707370 DMWHAHPXQDLNBF-CYBMUJFWSA-N 404.496 0.274 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1Cl 518009343 GTTKVNYARLTFKF-LLVKDONJSA-N 400.844 0.280 30 20 HCED Cc1cc(=O)c(C(=O)N2CCN(C(=O)CC#N)CC2)nn1-c1ccccc1[N+](=O)[O-] 519218218 ZKJCPIKFWDDHOZ-UHFFFAOYSA-N 410.390 0.647 30 20 HCED CC[C@@H]1C(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532969827 JUCKLWNEIKUOKD-OAHLLOKOSA-N 412.450 0.665 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(F)c1 533555660 RETFIEXQLNYEFT-LLVKDONJSA-N 404.466 0.872 30 20 HCED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 537000786 RWMLPKFWYYIHEN-UHFFFAOYSA-N 424.527 0.721 30 20 HCED Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)cn1 545887969 TVMLFQSQKMHFRX-CQSZACIVSA-N 404.434 0.902 30 20 HCED C=CCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 548938584 DWBLPWHYMAEQBQ-UHFFFAOYSA-N 402.499 0.629 30 20 HCED CN(CCC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 553898404 KIBGSZRERBQQEL-LBPRGKRZSA-N 420.413 0.990 30 20 HCED CCOCCOC[C@@H](O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 556184466 CJCPVNWXMHUPJW-ZDUSSCGKSA-N 414.256 0.789 30 20 HCED C=CCc1cc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)cc(OC)c1OC 557036145 HOPLWMUQINVZSO-UHFFFAOYSA-N 408.480 0.761 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCC1(NS(=O)(=O)N(C)[C@H](C)CC#N)CCC1 557345598 QIGQHNJOTUDMAA-ZIAGYGMSSA-N 420.561 0.046 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCCN(S(=O)(=O)C3CC3)CC1)CC2 559053693 GFHDHXVXXDGKRU-UHFFFAOYSA-N 402.476 0.474 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 562223190 IPXSBSKGRTXREQ-RYQLBKOJSA-N 404.492 0.600 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c1 567654670 TZXONPMXPZQHMZ-HNNXBMFYSA-N 414.491 0.780 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCc4ccnc(O)c4C3)C2=O)cc1 570386162 FPMOWIXHANOKPL-SFHVURJKSA-N 419.441 0.461 30 20 HCED N#Cc1cc(Br)ccc1CN1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 570504142 AKPGGIWZIQTKGD-HOTGVXAUSA-N 414.325 0.596 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1OC 582194309 BHLPUSCSMNWYDV-UHFFFAOYSA-N 409.446 0.935 30 20 HCED CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 584104006 FFQQQEOGWWXMAI-FQEVSTJZSA-N 420.517 0.891 30 20 HCED C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)c1cccc(C#N)c1 587705027 QQMYJDSGEVAAEY-CYBMUJFWSA-N 410.521 0.230 30 20 HCED Cc1ccccc1C(=O)NC1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588126316 IEKPMOWLQCIYHT-UHFFFAOYSA-N 411.506 0.820 30 20 HCED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(C2CCC2)C1 588825788 LXJJZKOVQYXIDF-GJZGRUSLSA-N 415.542 1.024 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)C2=O)cc1 588869848 OQCYLPSGDIIFNU-RTBURBONSA-N 420.473 0.836 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)C1=O 591165057 SBZVYIOBHUWADC-UHFFFAOYSA-N 408.405 0.832 30 20 HCED C=CCN(C/C=C/CN(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 595578067 GXXSYMCACYQCFQ-PJHKVULZSA-N 402.582 0.893 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 603589359 ZMGYTRKGEBVYJM-UHFFFAOYSA-N 416.459 0.874 30 20 HCED C[C@@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615911778 SYAIHKUQYBYXRS-CQSZACIVSA-N 411.462 0.945 30 20 HCED NS(=O)(=O)c1ccc(C/N=C2/S[C@@H](CC(=O)NC3CC3)C(=O)N2C2CC2)cc1 726404408 XJRIGKIVZFYSCL-LZICOFPGSA-N 422.532 0.965 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 730892103 HIBOTHIUIHTIHH-UHFFFAOYSA-N 414.443 0.643 30 20 HCED CSc1nc(C)c(CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)n1 732908277 INUATVNPCJWDAK-AWEZNQCLSA-N 410.521 0.714 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC(=O)NCCOC)C1=O 735224781 CRWNVVWPLBPDOU-AWEZNQCLSA-N 422.463 0.246 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCN(C)C1=O 737947402 DMNYINPLFYUZTH-LSDHHAIUSA-N 406.508 0.829 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(COC)c2)c1=O 743728528 LJIOTNUMCBXOKI-UHFFFAOYSA-N 415.515 0.730 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 746300052 VAPXLYXWXYULTL-FMQUCBEESA-N 400.410 0.913 30 20 HCED C[C@@H](OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)N(C)CCC#N 747293336 WFPKZVRQNUDXIC-OAHLLOKOSA-N 407.492 0.834 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)CC1 758988604 OSRGKSPVQBNYJJ-UHFFFAOYSA-N 405.476 0.325 30 20 HCED 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407.511 0.551 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830965501 UDFLZZZFTGTUIZ-UWJYYQICSA-N 418.494 0.049 30 20 HCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1F 1831209653 RJAUXRJMMKVMME-FQEVSTJZSA-N 404.442 0.595 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CSC)C2)C1 1831388838 YQFZRVAHAKCSHU-OXQOHEQNSA-N 412.552 0.870 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831502701 AFHOKIVQHZMFPG-XGHQBKJUSA-N 424.542 0.132 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)[nH]3)CCO2)C1 1831854561 YLNLOZGQFAPELW-OXJNMPFZSA-N 406.483 0.361 30 20 HCED COc1cccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1832764478 QCWIXKQMKDZOMM-NRFANRHFSA-N 414.462 0.393 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833117870 CQUNZACZKNSFFP-IAGOWNOFSA-N 420.554 0.675 30 20 HCED CC(C)CNC(=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833147098 JNYONBCEODIBCK-UHFFFAOYSA-N 405.543 0.880 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CC(N)=O)CC2)CC1 1833473009 LRJVHYDHAFHZNH-HZPDHXFCSA-N 408.543 0.661 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C)n3)CCO2)C1 1834046418 NZPNGCSLXUPZQX-UTKZUKDTSA-N 401.463 0.498 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1836166205 QBFFRINAUBZLLN-HXUWFJFHSA-N 406.483 0.322 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836896370 PVKUWUBCFHYVAU-NRFANRHFSA-N 411.462 0.603 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1837310352 NIUSMBOBSCNJQN-KGVIQGDOSA-N 419.522 0.832 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO3)C1 1837374055 BIXDBXJWGSIWST-QRWLVFNGSA-N 408.499 0.117 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837402250 GAQBZJKYTNPDOE-BLLLJJGKSA-N 410.845 0.848 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCNC4=O)CC2)CC1 1837579815 BSDZSHSFBCJGBV-UHFFFAOYSA-N 414.466 0.152 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)nn1C)CCO2 1838040273 ICZJFDGQVDIPEU-HXUWFJFHSA-N 422.551 0.972 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)[nH]n1)CCO2 1838663019 VZTYBZQEZULNDE-FQEVSTJZSA-N 420.466 0.298 30 20 HCED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838733150 PPVVUJYAOLSGER-FQEVSTJZSA-N 402.451 0.383 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838737998 JYMNRMLTRLQGIM-NRFANRHFSA-N 409.446 0.974 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)ccc1O)CCO2 1838890761 MJQDUDSISRMZQV-SFHVURJKSA-N 423.263 0.858 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C3CC3)C2)C1 1839173423 PBECDBYUTUTKDQ-IRUYWQDXSA-N 406.479 0.918 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(F)F)C2)C1 1839174698 SACNWSAOIOHECB-GOSISDBHSA-N 404.410 0.607 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839223255 QXBBZOAOHVGEOE-OXJNMPFZSA-N 419.482 0.276 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840164309 FOVYKIVFRHNUCX-UGSOOPFHSA-N 417.528 0.286 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2 1840181482 BCMAQCCIAANFHC-SFTDATJTSA-N 424.494 0.252 30 20 HCED CC(C)Oc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)cc1C#N 1845067311 FNFLJVZYFSIUKO-ROUUACIJSA-N 412.490 0.885 30 20 HCED CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1846701254 XAODDSAIAJEJLX-UHFFFAOYSA-N 407.467 0.878 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1C#N 1847823044 UHZNKZKSAOKDPW-PVAVHDDUSA-N 419.503 0.820 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(N)=O 1847942265 QYWYBQQPPLWJHB-IHRRRGAJSA-N 409.487 0.326 30 20 HCED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2C#N)CC1 29858539 JACQLJNQEHAKHX-CABCVRRESA-N 408.499 0.853 30 20 HCED CCCCn1c(=O)[nH]c(=O)c2c1nc(CC/C(O)=N/C1=NC(=O)CN1)n2CC(C)C 50222896 XAXLGQQCYLEDIP-UHFFFAOYSA-N 417.470 0.717 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 410126915 GELVNKTVGDOLRZ-ZFWWWQNUSA-N 410.496 0.627 30 20 HCED Cc1ccc(C(=O)N(C)Cc2ncnn2CC(F)F)cc1S(=O)(=O)NCC#N 428825001 HUAXPCHOFHJDLP-UHFFFAOYSA-N 412.422 0.926 30 20 HCED Cc1ccc(S(=O)(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 429931285 YOXYSSYEHQYZBJ-UHFFFAOYSA-N 413.521 0.988 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC(=O)N(CC3CC3)C2)CC1 434787185 QOZJDDIUJPPTGE-UHFFFAOYSA-N 424.461 0.967 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)n1 435258901 UGRICIYBMPIKSE-LJQANCHMSA-N 412.837 1.074 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 438022278 HLUAVAUENBNJNY-UHFFFAOYSA-N 409.512 0.389 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 439816617 YPDZHGVJDMLHAH-VQHPVUNQSA-N 423.429 0.891 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](O)[C@@H]1C(=O)OC 444738800 STZXNNYIJVBMKW-FUHWJXTLSA-N 406.483 0.950 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 445641829 IUQHORQJFDNNIF-QFBILLFUSA-N 409.490 0.819 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cn1 462366545 UHSCWOUQKDOISM-UHFFFAOYSA-N 409.449 0.170 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)cc1 470994267 DZTMJFIAZDOQNT-PBHICJAKSA-N 414.462 0.541 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(C)(=O)=O)nc1 480790107 WPXKKGQMPZBANR-LLVKDONJSA-N 408.461 0.662 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)N(C)CC)nnc12 482173721 FSDCSDGHVCSPIX-UHFFFAOYSA-N 414.491 0.917 30 20 HCED C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489254100 JPUKONCLBWBZEW-BXUZGUMPSA-N 412.899 0.774 30 20 HCED CS(=O)(=O)N1CC(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 494303496 JZSSGXGWQCXTOC-UHFFFAOYSA-N 408.299 0.490 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cn2)c1=O 505681799 OHZOVCKNEJSPAW-UHFFFAOYSA-N 419.304 0.869 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 506614846 MKJFWBINQRPIKZ-UHFFFAOYSA-N 409.443 0.659 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccccc2I)n1 508321347 YNUZZNLLTBOZKQ-UHFFFAOYSA-N 410.175 0.509 30 20 HCED COc1cc([C@H](C#N)NC(=O)CNC(=O)c2ncccc2O)cc(OC)c1OC 510589150 DRNZBMUROGQTIE-LBPRGKRZSA-N 400.391 0.924 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 512974765 HEQXLJULJCHGAN-AWEZNQCLSA-N 401.354 0.222 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 515362510 PTMDQRDKKQIORE-ZWKOTPCHSA-N 409.508 0.421 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 515918289 WYLFICIVPPCBAO-OAHLLOKOSA-N 420.535 0.576 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 521860208 CLCXBUCKBZLELI-CQSZACIVSA-N 413.409 0.759 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)C1=O 523028203 PALSDASJLNXGJT-MRXNPFEDSA-N 412.446 0.313 30 20 HCED COC(=O)CN(CC#N)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 523131196 NEESOWZFIHRCTC-UHFFFAOYSA-N 418.269 0.595 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCN(C)CC2)cc1 525425780 OQMDYZWJYWJKHD-UHFFFAOYSA-N 424.523 0.005 30 20 HCED C=CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)[C@@H]1CCS(=O)(=O)C1 533065511 XERYMMXPZDQFSW-OAHLLOKOSA-N 415.537 0.517 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)nc1 540382518 IFHGEVAQDJMGOX-UHFFFAOYSA-N 421.396 0.355 30 20 HCED CCn1c(=C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)sc(=Cc2ccnn2C)c1=O 540506319 AIEPZNVLLMYQCI-UHFFFAOYSA-N 409.427 0.957 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 545257307 JZMMBWKBIDNGCO-HNNXBMFYSA-N 415.475 0.509 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)n1 553165342 VMVFDPAJHABHKZ-KBXCAEBGSA-N 400.439 0.996 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 553611259 KNWOPKVKLSJVGR-UHFFFAOYSA-N 423.451 0.238 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1)C(N)=O 557821995 XTHCRJIAQQJMOU-UHFFFAOYSA-N 415.450 0.124 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 558085028 MEZDTXBTJBDEPR-UHFFFAOYSA-N 414.466 0.875 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 559956443 ICXXJAJPYMMSIM-AWEZNQCLSA-N 408.480 0.867 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCS(=O)(=O)NC(C)C)CC2)c1C#N 563791504 VGAZOHFICZQQKK-UHFFFAOYSA-N 400.530 0.483 30 20 HCED C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(N)=O)C1 566385103 SQQCYRXDPJYQTK-INIZCTEOSA-N 423.477 0.942 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)CC1 566941104 MVSBCCRGESILQM-RDJZCZTQSA-N 400.479 0.114 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2=O)cc1 570428025 XVWSXIFSMCVAKJ-IBGZPJMESA-N 406.442 0.979 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)CC1 588128794 KSIAZTPZQRAZMM-MRXNPFEDSA-N 401.442 0.541 30 20 HCED Cn1nc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc21 588202279 ZFBOBUHSIROTQN-UHFFFAOYSA-N 403.446 0.805 30 20 HCED CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 589422243 DHPMSTYWPQRPME-DOMZBBRYSA-N 400.439 0.352 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 589491154 ZXDGXBFVXHAXGC-HXUWFJFHSA-N 410.455 0.959 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(Cc3ccccn3)c2)CC1 590284917 ARCZXLPCYDQFAS-UHFFFAOYSA-N 416.445 0.880 30 20 HCED COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCOCC1 609349786 JEXGQSBDHDIHIW-KRWDZBQOSA-N 423.491 0.824 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 610596883 SUACZLSPCDGEJG-FOIQADDNSA-N 411.466 0.505 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1cccc(C#N)c1 610869941 IHBMSWSXNYYKRE-CQSZACIVSA-N 411.466 0.248 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@H](C#N)C2)c(C)c1 611643305 LKBJXNCOIUAEKC-ZACQAIPSSA-N 407.492 0.487 30 20 HCED N#C[C@@]1(F)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 615662830 ZRXGEUZYLJQGPZ-IBGZPJMESA-N 422.482 0.764 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)cc1 673175468 RISSFDSFKBPEMG-ZDUSSCGKSA-N 408.480 0.156 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1=O 726042791 MOZYWUNOOZUJRC-LBPRGKRZSA-N 405.382 0.693 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 728570576 FSSRDNFBZCARHB-KRWDZBQOSA-N 420.941 0.933 30 20 HCED C[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)N(C)CCC#N 729754683 RQXFSBHIOAKYPU-ZDUSSCGKSA-N 424.479 0.088 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 733150260 FSFYTNNXSQADJN-UHFFFAOYSA-N 402.407 0.263 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 735479546 PDFGCTGHDOOFPS-UHFFFAOYSA-N 422.488 0.413 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 735764697 DYVJHQZDRVLQBU-MRXNPFEDSA-N 400.435 0.187 30 20 HCED C#CCSCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 739826263 PWCMBJYOMWWAPR-UHFFFAOYSA-N 423.560 0.782 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(CCOC)c2)c1=O 743727462 MYXRMJYUOPZJNK-UHFFFAOYSA-N 417.535 0.582 30 20 HCED N#CCN(C(=O)COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccccc1 745585825 FMYMZRCVKIWXBX-UHFFFAOYSA-N 415.427 0.659 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 747734992 BNPOQQBWYUVTQJ-OAQYLSRUSA-N 414.437 0.581 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 747816829 YGGMJVBGHIGRNF-UHFFFAOYSA-N 416.497 0.740 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1=O 748563888 KNAQVHGGTGATFA-UHFFFAOYSA-N 414.462 0.488 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@@H](C#N)C1 749521797 XIYOOTNIUSDTKP-QWHCGFSZSA-N 403.526 0.878 30 20 HCED CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 752128331 PVUDNQOHOOEUQN-HUSAPJIJSA-N 408.480 0.685 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)C1=O 772195571 RRPYHKXKXWKANK-OLZOCXBDSA-N 408.455 0.867 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1)[C@H]1CCCO1 773787783 MTESJKCQTRENTP-XOKHGSTOSA-N 415.446 0.604 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782249380 JNRXYCWMORYJIZ-UHFFFAOYSA-N 400.441 0.318 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 782987250 NQBHBLAVHDVDQH-UHFFFAOYSA-N 414.502 0.466 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1 782987584 OSLQBEURDCRGDW-UHFFFAOYSA-N 405.450 0.139 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 783480189 PSZNGPNORCEEQD-OAHLLOKOSA-N 418.450 0.658 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 784823038 PZYZKUFVDZEWSO-MRXNPFEDSA-N 419.457 0.189 30 20 HCED COCCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2c(C)cnn2C)c1=O 795187247 MISTXMXHPOIHID-UHFFFAOYSA-N 408.483 0.984 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 799066409 ZXPATJZYWJVAGY-LJQANCHMSA-N 423.491 0.543 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 799272518 FRPOOWJNQUAZRB-HNNXBMFYSA-N 411.455 0.559 30 20 HCED COc1cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1C#N 799729271 NTEDJJMWLCQAIX-INIZCTEOSA-N 413.521 0.201 30 20 HCED CC(=O)NCCN(Cc1ccsc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 801002945 JGVPVDSUQYEEDU-UHFFFAOYSA-N 420.516 0.952 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 804181209 HCAIKXZCOJBMRV-UHFFFAOYSA-N 416.482 0.585 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)CC1 804894266 YSKBNXJAJOASFE-RDJZCZTQSA-N 424.542 0.894 30 20 HCED N#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 812614776 WQTRCTVRWQSJNC-UHFFFAOYSA-N 424.435 0.665 30 20 HCED C[C@H]1Cc2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)ccc2N1S(C)(=O)=O 813983283 ONFCKVPLEXBJHH-NSHDSACASA-N 420.472 0.783 30 20 HCED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCCc2cnn(C)n2)C1=O 814709478 CCEQLWKJSLCGGZ-UFIXSJTLSA-N 415.523 0.822 30 20 HCED C#CCNC(=O)CCN1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 815021686 OHSLBRWPMJIRAO-QGZVFWFLSA-N 406.527 0.917 30 20 HCED CCOC1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 815885239 CZJJRBYXSGDRFE-SILNSSARSA-N 408.480 0.685 30 20 HCED C#CC[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 816669046 FQTZWRUHHPADPK-KSSFIOAISA-N 410.492 0.651 30 20 HCED COCCn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn(C)c2)c1=O 838247071 SNDRMMMXCSMLBF-UHFFFAOYSA-N 412.446 0.815 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCOCC1 912716320 XWOMLXSZDSVREP-INIZCTEOSA-N 408.524 0.588 30 20 HCED COC[C@@H](C)NC(=O)NC(=O)COC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 914818433 BSFWSANRBVXGFT-LLVKDONJSA-N 416.438 0.554 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)CC(=O)N(C)C)ccc1F 916051599 RRYWMBMSRHOSJK-UHFFFAOYSA-N 401.460 0.467 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 916870069 DZLAZZHFWUMPRN-LRDNONRASA-N 406.483 0.985 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1136575318 ROHVXTBUBZDCJZ-DLBZAZTESA-N 403.458 0.492 30 20 HCED Cn1c(=O)[nH]c(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C#N)c1=O 1162352004 SOTVQHUDGXZUDZ-UHFFFAOYSA-N 403.464 0.732 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(c4cnccn4)CC3)C2=O)cc1 1251841805 BVKQCEXGNZTPOD-KRWDZBQOSA-N 419.445 0.902 30 20 HCED COCCNC(=O)C1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 1253287925 RGDNWINYXUGYPN-INIZCTEOSA-N 411.462 0.986 30 20 HCED CC(C)N1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1303301989 YGSLSZCAGQQKCW-KXBFYZLASA-N 419.505 0.906 30 20 HCED Cn1ccnc1[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(F)c1 1311489785 KFZHYHAVPZKATH-OAHLLOKOSA-N 411.397 0.782 30 20 HCED COc1ccc(OC)c2c1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C[C@@H]2O 1322603643 XDBKHHWSFWKEOV-YISVQYQQSA-N 401.419 0.996 30 20 HCED C=CCn1c(Cc2noc(C3(COC)CCOCC3)n2)nnc1N1CCOCC1 1323892845 XNNWYHLGPPJYED-UHFFFAOYSA-N 404.471 0.969 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C[C@@H]2CCS(=O)(=O)C2)cc1OC 1342605141 KHJWODOACXOKLP-LSDHHAIUSA-N 408.476 0.896 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCn2ccnn2)cc1 1505320007 QPHVQIGRSRXKFR-UHFFFAOYSA-N 421.465 0.737 30 20 HCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1541880828 SCPJVYJVQAASFS-ZACQAIPSSA-N 424.571 0.887 30 20 HCED CCc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)no1 1546374899 VOPJGGFMMTUMPL-ZDUSSCGKSA-N 400.443 0.317 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](n2cncn2)C(F)(F)F)cc1 1632048219 OEQFRWKVWBPTSH-GFCCVEGCSA-N 402.358 0.348 30 20 HCED Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1637467509 SRCMOUDBILULBB-WBMJQRKESA-N 405.480 0.425 30 20 HCED N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1698489329 ZPMDYRBFDBIRTO-WBVHZDCISA-N 412.475 0.980 30 20 HCED Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCS(C)(=O)=O)C2 1726235503 MXRVYETYRCPRMH-UHFFFAOYSA-N 412.479 0.782 30 20 HCED COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(C)(=O)=O 1768919541 IKJMOFKNCVJGST-GOSISDBHSA-N 422.486 0.869 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)c(C)n2n1 1777787246 SOYVLEWFPJCXMF-NRFANRHFSA-N 423.477 0.879 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnc2s1 1777990152 NKXFWGJOFGPKHG-KZULUSFZSA-N 422.532 0.826 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1778966704 ARXXZRUZXSLYGE-LLGFUMIMSA-N 404.511 0.922 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779221521 STCQLNKHYQQUEQ-OXJNMPFZSA-N 419.482 0.254 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCNC(=S)NC)C2)C1 1779375195 GVGHOKHATBCVST-OXQOHEQNSA-N 408.568 0.951 30 20 HCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1ccccc1=O 1779533536 YXTDVHRENMJKQH-WHSLLNHNSA-N 415.446 0.011 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780433072 JLVNWZRFQHGLBD-FOIQADDNSA-N 406.483 0.445 30 20 HCED Cn1ncc2c(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)cccc21 1782010087 CPCZMVLGOJHAEI-XMSQKQJNSA-N 424.457 0.789 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1 1783198962 FUFOMDSAGAQBML-MRXNPFEDSA-N 404.483 0.512 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246385 RREHKSDUPRLDRD-SJKOYZFVSA-N 410.521 0.274 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(N)n3)C[C@@H]21 1783531415 XYWHWFHENRZXKO-BVZLNYOGSA-N 419.507 0.177 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)n[nH]c3C)C[C@@H]21 1783531820 ZAADVIKWMJHKPC-ORIYOMJCSA-N 415.494 0.478 30 20 HCED Cn1nncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604223 BIXXJMLBMUQKCA-LNLFQRSKSA-N 408.462 0.523 30 20 HCED O=C1CCCCN1CC(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1783756497 NSCRYMAFWZUZOW-XZEIMLRBSA-N 416.478 0.541 30 20 HCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4c(n3)NC(=O)CC4)CCO2)C1 1783893750 IZBTVNICAMUSNT-BLVKFPJESA-N 404.492 0.728 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3cc(C)c(O)nc3=O)C2)C1 1785353169 GWCXTRPKIYTHNT-VLIAUNLRSA-N 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C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C(=O)N1c1cnn(C)c1 611361920 PTNAXJXIUMCODZ-SMDDNHRTSA-N 412.454 0.492 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC)CC(=O)N(C)C)cc1 617597057 UUEYASTWPSQONK-UHFFFAOYSA-N 410.496 0.368 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 619481318 DUWNAPKITFZDFE-UHFFFAOYSA-N 421.504 0.699 30 20 HCED CC(C)[C@@H](C(=O)NCC#CCNC(=O)[C@H](C(C)C)N1CCCC1=O)N1CCCC1=O 680339085 AZWLSHXQABOLPH-PMACEKPBSA-N 418.538 0.516 30 20 HCED CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)C(=O)Nc1cnn(CC#N)c1 746378855 FDUUQYRPLAMDNX-UHFFFAOYSA-N 419.463 0.676 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 747993871 SFNRRVMMJYERBO-AWEZNQCLSA-N 414.462 0.587 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-c2noc(C)n2)CC1 749665451 BNDGMSHGLKCTBL-UHFFFAOYSA-N 412.450 0.430 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 749667420 RQVCLQIAHJYOKE-UHFFFAOYSA-N 418.469 0.789 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 751669040 XPCPBEBUKDHQCR-FWZIUSJTSA-N 415.427 0.431 30 20 HCED CN(c1ccccc1NC(=O)C(=O)NCCNc1ncccc1C#N)S(C)(=O)=O 757842703 QWPOCZTXIFXISI-UHFFFAOYSA-N 416.463 0.516 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)s2)c1=O 758050600 GRTQLLOAKDQWCE-UHFFFAOYSA-N 419.915 0.620 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758079276 IOIOCWVVCPQAKW-UHFFFAOYSA-N 423.494 0.686 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 766043842 HZXBRWUXEGOYME-AWEZNQCLSA-N 414.528 0.973 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 766976009 CMVPEBOPHMKRBB-UHFFFAOYSA-N 413.433 0.529 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CCCCN1S(C)(=O)=O 766980343 RBLXZMMMNWXDFO-GFCCVEGCSA-N 401.466 0.186 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 773237178 NRJVECRORARDLZ-MRXNPFEDSA-N 400.479 0.696 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(C(=O)NCCO)CC2)c1 775585458 OCZUUAVHWLFXNQ-UHFFFAOYSA-N 416.297 0.830 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCC#N)C1=O 784125806 STULQVDPQLFICO-NNLSSIJJSA-N 423.520 0.574 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CO)CCC2)c1 785232384 NEHHIAHUKBRXOI-CJLVFECKSA-N 422.507 0.717 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 787787809 PBDWGAATGJSTOE-UHFFFAOYSA-N 416.379 0.526 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n1 789794771 LIUXPEANIUGFET-UHFFFAOYSA-N 403.464 0.459 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1)c1cc[nH]n1 789965687 IMGSGMOSVNQMIU-CYBMUJFWSA-N 409.468 0.216 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 790297091 OVEOHZGKAJRBDT-IRXDYDNUSA-N 422.526 0.342 30 20 HCED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 795835077 OALKBVDUPTWTJF-SJORKVTESA-N 415.368 0.970 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1(S(C)(=O)=O)CCC1 799703768 TUBFTPXQGBWADH-GFCCVEGCSA-N 400.478 0.736 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(O)CCC3(CC2)OCCO3)c1 810444419 XNRRJNWEAJUZDU-UHFFFAOYSA-N 409.464 0.001 30 20 HCED CO[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 810470945 WYLMMMIAYLOXNQ-CJOMHGBRSA-N 410.496 0.978 30 20 HCED CCN1C(=O)C(=NN/C=C2/C(=O)NC(=S)N(CCOC)C2=O)c2ccccc21 814318330 KDYYBZJRMHZQDB-PMMUXJOXSA-N 401.448 0.120 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CC(C)(C)Oc3cc(O)ccc32)c(=O)n(C)c1=O 814883150 BYGMZSXYNWBXFA-UHFFFAOYSA-N 408.436 0.033 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)CN(C)C 815684416 NMXLOMMQVIUUJY-AEWZPABSSA-N 423.539 0.752 30 20 HCED CCOC1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 815885238 CZJJRBYXSGDRFE-CAPFRKAQSA-N 408.480 0.685 30 20 HCED CCOC(=O)[C@H]1CSCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 844142584 DZFQZNYZGIZUEA-CYBMUJFWSA-N 411.505 0.622 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 849069473 NDDWDDDEHQPDCR-GOSISDBHSA-N 402.543 0.386 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 914881835 CMRNLFGJISBCGP-UHFFFAOYSA-N 407.473 0.176 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 916868410 MKNMRKDNVSJPIA-ZBFHGGJFSA-N 403.414 0.497 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)c1 917923993 KONRNCBRJWBNJA-UHFFFAOYSA-N 415.427 0.399 30 20 HCED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2Nc2cncc(C#N)n2)c1 1052719014 XPIYAHRDJWZRLR-GITGPQGGSA-N 405.462 0.912 30 20 HCED C[C@@H]1COCCN1C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1306853079 WQCCKOCTRHRIGU-OAHLLOKOSA-N 406.508 0.548 30 20 HCED N#CCCN1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1306887147 IJWYPWAMALNDGR-QGZVFWFLSA-N 401.467 0.605 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1321802038 VZGOPCCDRDBXGP-QGZVFWFLSA-N 417.510 0.957 30 20 HCED CN(CC(=O)Nc1ccccc1SCC#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 1322836135 IRJODDVQEQQKFJ-CYBMUJFWSA-N 410.521 0.476 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](NC(=O)NC4CC4)C3)C2=O)cc1 1337873979 ONXMCQWXNUJFLY-RDJZCZTQSA-N 424.461 0.826 30 20 HCED N#C[C@@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)C(=O)N1CCS(=O)(=O)CC1 1342561157 RVLMWHACEJUAHS-KRWDZBQOSA-N 417.487 0.779 30 20 HCED N#Cc1cn(CCNC(=O)CNC(=O)Cc2cccc3ccccc23)c(=O)nc1O 1453828390 JUDDWTSEPUVGDJ-UHFFFAOYSA-N 405.414 0.449 30 20 HCED Cc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)nnn1-c1ccc(F)c(F)c1 1453845015 RWANDCIJOKGVEX-UHFFFAOYSA-N 401.333 0.418 30 20 HCED C[C@@H](C#N)OCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1559636169 ASQBBIDGJZRQBX-INIZCTEOSA-N 409.512 0.153 30 20 HCED CN(C)C(=O)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1597326538 ZABOQMNHQRVYSN-KRWDZBQOSA-N 418.519 0.896 30 20 HCED CN(CCS(N)(=O)=O)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1644377926 MTFWATCXNGTODT-CQSZACIVSA-N 423.539 0.576 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1648829340 PWDXQVWCBOEMKK-AWEZNQCLSA-N 405.436 0.516 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1660910002 JQHIDGSGTPIQLP-LBPRGKRZSA-N 411.447 0.484 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594318 KBIIOBTVSDXLMK-IERDGZPVSA-N 413.478 0.746 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1778972502 WDARTOSJXZSPFD-BTYIYWSLSA-N 413.478 0.975 30 20 HCED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1779000475 WPXFZPUAPRNNDG-HXUWFJFHSA-N 407.587 0.956 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1779067650 VUPRNGMLMLCVIR-OAQYLSRUSA-N 400.479 0.481 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnc(O)[nH]4)C3)C2)c1 1779644679 DVKYAUMOEFAPGX-FQEVSTJZSA-N 411.418 0.753 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780175329 XRTRRPPSUMIRDT-OWDMVUQNSA-N 401.467 0.525 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097667 YHVVBNJLMCJKGT-SQGPQFPESA-N 412.600 0.407 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(C)nn1C)CCO2 1781267509 VIGFKJZQUUHEHE-FQEVSTJZSA-N 404.467 0.681 30 20 HCED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781974032 CBUODJKJAKKLIB-ORAYPTAESA-N 404.854 0.790 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3nonc3c1)C2 1782010420 UCLXJJKMVHSIJF-OXQOHEQNSA-N 412.402 0.438 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782631666 COYDGAMSZWSMEH-IBGZPJMESA-N 406.508 0.864 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1783177687 HWXZDESRVQLATJ-QKKBWIMNSA-N 416.453 0.594 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3coc(C)n3)C[C@@H]21 1783530154 IHXUHOMPXMPBEB-HBRMBBLDSA-N 402.451 0.435 30 20 HCED CC(C)COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccn1 1783562004 XNAJVNDQTYMQPN-NRFANRHFSA-N 415.446 0.648 30 20 HCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)no1 1784383126 PWZCKAUNXMFACR-ULQDDVLXSA-N 414.462 0.705 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(OC)n3)C[C@@H]21 1784478552 ASWMHGLZPZPCMA-CAMMJAKZSA-N 415.490 0.651 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784479784 IFPOCKLILTUKMU-XSLAGTTESA-N 404.511 0.286 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4cncc34)C[C@@H]21 1784484083 RBARAOSTVVOOAT-DUPRYPCISA-N 410.474 0.966 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ccon1 1786219305 SLDHAYTXCZUERT-BQFCYCMXSA-N 401.463 0.967 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787015742 SYRJZAKICQLIHV-XLAORIBOSA-N 417.506 0.401 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)c(C#N)c1 1787222732 HSWHAYPFFDPEJL-WBAXXEDZSA-N 424.461 0.521 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc[nH]c3[N+](=O)[O-])[C@H]2C1 1787479639 WDBNUNMFSYNNKL-RFGFWPKPSA-N 422.442 0.712 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1788573134 WNNIHYGSCBOUPQ-JURCDPSOSA-N 420.466 0.054 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)n3ccccc3=O)[C@H]2C1 1788745538 IDXGMFLWBCUPEZ-GFEQUFNTSA-N 417.506 0.980 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4csc(N)n4)C[C@@H]32)c1 1789344124 PGRSAUAWWKJZIA-HUBLWGQQSA-N 400.464 0.832 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344570 FEAUWJIWONYVTB-VKZRIFJHSA-N 423.477 0.770 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3)[C@H]2C1 1789573483 MJOMOGKNBAIKPT-VJANTYMQSA-N 410.474 0.772 30 20 HCED CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1789940543 DGVZWCLXRFFXDN-RNCJVDDHSA-N 419.526 0.059 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C#N)C[C@@H]21 1790173598 FAJLQDAEXRNTEU-RZLSGREXSA-N 424.498 0.359 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21)C(F)(F)F 1790884665 KCDKWKGFAMLLGT-XUXIUFHCSA-N 401.389 0.937 30 20 HCED N#CC1(C(=O)NC2(c3ccc(NC(=O)CN(CCO)CCO)cc3)CCC2)CC1 1791326634 AFALGUXPONHKIR-UHFFFAOYSA-N 400.479 0.711 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)n1ccnc1 1793144019 LQGFONMSCKVMIK-ZVKKWGDSSA-N 419.482 0.563 30 20 HCED COCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1793336605 HYPKESPJGFNAIX-CSWGNPLSSA-N 409.483 0.532 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cncc(OC)c1)C2 1793340248 CAJDKJXSBCCFIC-LAVAIGHBSA-N 415.490 0.651 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)Oc1ccccn1)C2 1793346841 PSWLZVBWEDAKLG-CWLGOENISA-N 401.463 0.477 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)C2 1793351466 XTGMURAYOKVRKE-PCJLFUNRSA-N 405.539 0.899 30 20 HCED Cn1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)cccc1=O 1794584062 XLLMNGGUBYVGGT-OPMZPASUSA-N 420.469 0.703 30 20 HCED Cc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)cn1 1794704385 PGUKHVWVLQTAPD-DLUMSKLASA-N 400.483 0.460 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(n1)OCCO2 1796280553 OERGAQLWEKKMPZ-ZSBFGKGUSA-N 419.503 0.975 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(O)nc1O 1796787153 NBOADHZZRKAIJK-RPVACHEYSA-N 419.438 0.669 30 20 HCED Cc1cc2nnc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3(C#N)CCC3)C4)c(C)n2n1 1796925493 MPPONNQHLNIGKY-JLVBRIDZSA-N 423.477 0.638 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)C1 1797278908 DSRNYUMDQFZKPH-IDLUEMFASA-N 424.473 0.839 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1C[C@@H]2C[C@H]2C1 1797634985 LSXXDXGBGBQBAG-AVBQZKFLSA-N 406.527 0.717 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS[C@H]1CCCCO1 1797793434 QGEWWRCKRRZGLX-RFXPCRSYSA-N 410.536 0.874 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)c1ccc(CO)o1 1798118294 ILGDBMLBQCGSID-VGODJKPESA-N 401.419 0.687 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC12CCCN1CCC2 1799211071 FCTWQYPMVCFYEV-GNBUJSLZSA-N 403.523 0.633 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)nc1O)C2 1799304334 FPPMXHOOWBYSOX-JLVBRIDZSA-N 417.462 0.808 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C(=O)OCC)CC1)C2 1799306468 GOVQOTFYYNTRSA-SCAQPMJSSA-N 422.478 0.429 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1799392588 ACGQXMRBIFYOIV-AFIMGQEJSA-N 404.467 0.389 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)nn1 1800204453 DZOOWLBFHKWNCL-CZAMWMTLSA-N 410.496 0.105 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 1801938797 BRTQCFADCSRWAW-ALXJQNPVSA-N 403.479 0.776 30 20 HCED C#CCCC(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807028004 GSEKXRQEUFMNKF-MAUKXSAKSA-N 408.395 0.226 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)CC[C@H](N)C(N)=O)CC2)C1 1809773064 WEPPKCZOJVOXJO-INIZCTEOSA-N 420.558 0.092 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC=O)[C@H]1c1cccnc1 1810254000 FSRUSRPMDPJIPQ-DKIMLUQUSA-N 402.495 0.795 30 20 HCED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@H]1c1cccnc1 1810360648 UGOBCQPHTRPHRP-GKDNMFGBSA-N 408.524 0.056 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CCS(C)(=O)=O)[C@H]1c1cccnc1 1813574598 WLQZWHGOCMZRMM-HHXXYDBFSA-N 421.519 0.560 30 20 HCED CS(=O)(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1814325036 IVINSJNWZBIJNQ-JTQLQIEISA-N 407.477 0.613 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817615270 RYYVHFOCULWOQB-KBPBESRZSA-N 402.459 0.662 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669950 AZLZYHWTJUBLQU-SNVBAGLBSA-N 419.463 0.440 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CC[C@@H](C(=O)OC)C4)C3)C2)C1 1829660888 JZKDBECKCCAFHP-JKSBSHDWSA-N 420.506 0.998 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)OC(=O)OCC)C3)C2)C1 1829671733 FSODZRYZPMPHTI-FOIQADDNSA-N 410.467 0.971 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1829764858 AWAUYNFHMHMOMM-LLHWWHOWSA-N 420.491 0.072 30 20 HCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1831804855 VSYFIUBMLFLBCF-HXUWFJFHSA-N 403.483 0.657 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1832448223 SCUKSEGEVHTWRT-APWZRJJASA-N 412.552 0.913 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1832462132 AZJWTGNKZZVGOC-LJQANCHMSA-N 409.508 0.901 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnnc(Cl)c4)CCO3)C2)CCC1 1833211716 CKYAGUIGZNOJAH-IBGZPJMESA-N 419.869 0.894 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834410853 AJDBJUVYQYZOST-UZLBHIALSA-N 406.483 0.564 30 20 HCED N=C(N)SCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098288 HGRMVOMYHCMGFE-HXUWFJFHSA-N 416.503 0.121 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1cncn1 1835102739 ZOXAPLXITZUHKH-XMSQKQJNSA-N 423.473 0.347 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCC(=O)N3)CCO2)C1 1835302309 YCSIHBNVRKUUPL-IIBYNOLFSA-N 407.511 0.714 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N1C[C@H]2C[C@H]2C1 1835344394 BIWHDNONTVHOIG-VWXURSGXSA-N 402.495 0.087 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1835354844 GNBOVWFTPXNYDW-FQEVSTJZSA-N 404.442 0.913 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835675342 ONXGUKHSHOWNSB-OAQYLSRUSA-N 402.495 0.138 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835753224 YRGZWBYESONDKW-UTKZUKDTSA-N 423.510 0.274 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nc3)CC2)CC1 1836144604 GQZLOTZXYIJQPI-UHFFFAOYSA-N 400.435 0.060 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)CSC(=N)N)CC3)CC2)c1 1836169706 PWWLKEOBUYGTFW-UHFFFAOYSA-N 417.539 0.698 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)[C@@H](O)C=C)CCO2 1837392282 ADRGUTXUFPGTBB-LLGFUMIMSA-N 408.495 0.054 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1837394746 IXXUKJYLIGQCAO-BEFAXECRSA-N 409.508 0.786 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)C2)C1 1837402359 AMPVYPNGKSMOIF-QYRAFCHESA-N 422.547 0.891 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837486288 ZKHUUHPMUAQETD-DEYYWGMASA-N 409.512 0.052 30 20 HCED CCn1nc(C)cc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838029368 OCMVGOGGYYJNDG-UHFFFAOYSA-N 416.478 0.912 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)CC1 1838773825 DVXOOKVWLGJSOK-KURKYZTESA-N 404.463 0.641 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188193 PKXORMZWUFEALK-BTYIYWSLSA-N 419.453 0.731 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(CC)COC3)CCO2)C1 1839777526 VJPUQGOMPSATNA-IERDGZPVSA-N 410.511 0.443 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1)C(F)(F)F 1839891971 KEWTYRWRCCKJLJ-MRXNPFEDSA-N 402.373 0.458 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840217235 ORHJSGAXAHMZHH-UZLBHIALSA-N 409.483 0.938 30 20 HCED C=CCC(=O)N1CC2(CCCN2C(=O)c2ncn3nc(N4CCOCC4)ccc23)C1 1843154434 URDXFVAXDIMCEU-UHFFFAOYSA-N 410.478 0.959 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnc3cc(C)ccn3c2=O)C1 1843786409 IUYLREUXWNEDSB-INIZCTEOSA-N 408.458 0.858 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(C(=O)OC)CC2)c1 16557893 SCEFQJQVTRLBNE-UHFFFAOYSA-N 422.459 0.167 30 20 HCED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29249730 GFULGTHDJSZAJO-HIFRSBDPSA-N 421.523 0.580 30 20 HCED COCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 48023876 IANUKZWOPRPQOV-UHFFFAOYSA-N 406.508 0.502 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 50173689 DMRCSFYDJZVWJX-IBGZPJMESA-N 404.492 0.829 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 409514674 BLSYFIJWLONTFK-CZUORRHYSA-N 413.931 0.820 30 20 HCED CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409597562 NMCVRVTUVQWJSJ-INIZCTEOSA-N 401.577 0.883 30 20 HCED C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)C1 433466711 CIHOAKWAHIKBPN-RHSMWYFYSA-N 404.492 0.735 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c(F)c1 433526638 CCDMGAROUPSYKX-UHFFFAOYSA-N 401.442 0.793 30 20 HCED COC[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCCO1 435289630 OIKAGXDKCZRIQM-GOEBONIOSA-N 401.398 1.132 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 437747180 OYMNMCVWRCWMIV-KBPBESRZSA-N 404.471 0.664 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)[C@H]4CCCC[C@@H]43)CC2)o1 438563507 USNBAAOBRGINGI-IRXDYDNUSA-N 421.523 0.545 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)C1=O 440261614 UKAHRCMFAGNDDJ-INIZCTEOSA-N 407.492 0.458 30 20 HCED CS(=O)(=O)c1nccn1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 444402672 DWOLIHRYJCYLHL-MRXNPFEDSA-N 405.455 0.835 30 20 HCED CCOC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446526975 BRONFWCVMJPORW-UHFFFAOYSA-N 402.451 0.876 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]2CCCO2)n1 448387462 OGVPKAXHTYWNNW-HIFRSBDPSA-N 403.826 0.992 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)[C@H](O)Cc1ccccc1 460686833 VAHKWKQHMDWAKZ-CRAIPNDOSA-N 418.457 1.494 30 20 HCED C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 462796567 SLQZYRXINJPHFG-RYUDHWBXSA-N 417.447 1.366 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 464126844 HINGMOQFKZDRHH-MRXNPFEDSA-N 417.491 0.728 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 469099656 WCHBTJGUDZXAHD-AWEZNQCLSA-N 409.512 0.939 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 472057284 GMKHLBLEJJYZRV-OAHLLOKOSA-N 422.507 0.588 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)S(=O)(=O)C3CCOCC3)CC2)c1C#N 472240181 JLMHQBYXRKNDME-AWEZNQCLSA-N 409.512 0.231 30 20 HCED CCCN1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O 472523657 YRTCDWJPTQAYRZ-UHFFFAOYSA-N 409.450 0.607 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)c1C#N 472885749 VIDSXSVDFKZCKR-UHFFFAOYSA-N 419.449 0.468 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)o1 472928286 PWYURIORKROZHE-UHFFFAOYSA-N 423.433 0.655 30 20 HCED N#C[C@]1(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCc2ccccc2C1 474661195 SZBDIGNOPGGFDA-HLIPFELVSA-N 401.488 0.589 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 479897583 DOBITONZUPVDPO-MRXNPFEDSA-N 406.508 0.673 30 20 HCED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481244916 FFTPWSQGVRLBSH-CZUORRHYSA-N 424.548 0.993 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)CC1 486382581 SEDNGUBDOZDQFK-UHFFFAOYSA-N 412.487 0.229 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 490385777 LHXMVPNAFHUMNE-INIZCTEOSA-N 415.494 0.491 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCOC)cc2)CC1 491259168 OBCUEPWKGGUGMG-UHFFFAOYSA-N 404.467 0.097 30 20 HCED N#Cc1ccc(Br)c(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1 492532546 HMXMXPFSXBRYBL-JKSUJKDBSA-N 414.325 0.596 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 499759528 HIMQSYHRTDOMGZ-CYBMUJFWSA-N 406.505 0.762 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)nn1CCC#N 505073663 GVPQMVAAIOCSNW-INIZCTEOSA-N 415.498 0.199 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC#Cc2cccc(F)c2)c1 513915758 WWGXWVIAYBONHA-UHFFFAOYSA-N 417.462 0.974 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1-c1ccccc1 514517052 GETWIIODSFPUQO-UHFFFAOYSA-N 419.462 0.935 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(CC(N)=O)cc3)CC2)c1C#N 516218754 FPPZPVXFEBYKQP-UHFFFAOYSA-N 412.475 0.638 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCC(C)CC2)cc1 518294459 VDGXBIIXRLQVKM-SFHVURJKSA-N 402.495 0.750 30 20 HCED C=CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 519881258 GPGIHRPDCWPOEZ-LBPRGKRZSA-N 422.475 0.835 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCOC2)cc1 523065276 AJLATZAPEBEOGE-WMZOPIPTSA-N 401.463 0.953 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCOCC 523733454 OXFWPLYKSDYJBW-UHFFFAOYSA-N 406.533 0.741 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 524033303 OLVXJIOGZIKOQM-MRXNPFEDSA-N 415.494 0.245 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 535214786 JQNSWNVJQYKMSU-YOEHRIQHSA-N 424.523 0.519 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)CC2)cn1C 538614099 BZHZMGRTPVYEEE-UHFFFAOYSA-N 420.499 0.686 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1nccc2c(S(N)(=O)=O)cccc12 538836238 CFJMSWOSMKGKTI-UHFFFAOYSA-N 417.491 0.570 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 555881892 HHZGHDISOWVQLV-UHFFFAOYSA-N 402.495 0.867 30 20 HCED CCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@H](C)CS(=O)(=O)CC 564457079 ZTPHENUMIOABFL-CYBMUJFWSA-N 418.479 0.749 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 564480819 HMRCSYKNTUKELQ-UHFFFAOYSA-N 412.415 0.348 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCC2CCN(CC#N)CC2)cc1 566885878 KGAFZFSJTARZOR-UHFFFAOYSA-N 407.496 0.275 30 20 HCED N#Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cnc1C(F)(F)F 571064781 FRUWWTPQDACDOP-STQMWFEESA-N 418.397 0.200 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 577094794 CCLXZQFRARGGPA-QZTJIDSGSA-N 423.473 0.415 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 577163430 NMNSRRULJZOALU-ILRDRHFLSA-N 420.473 0.592 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)C2=O)cc1 588868761 RWLYDHDDBGYQMH-HKUYNNGSSA-N 420.473 0.905 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)c1 604270178 RMFQMQYNEATTKJ-UHFFFAOYSA-N 412.515 0.334 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)cc1 604286156 RWKDOIURCWHNGT-INIZCTEOSA-N 411.447 0.911 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 608890650 JFPDCYCURAAQCA-UHFFFAOYSA-N 405.458 0.753 30 20 HCED Cn1c(=O)c2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)n(C)c2n(C)c1=O 608968340 RYXAJYROLIUTQL-UHFFFAOYSA-N 421.461 0.241 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1C1CC1 609074610 HLPWPOYZUIVJQG-UHFFFAOYSA-N 423.416 0.928 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 609108149 OGFZNENOLLXKHK-DOTOQJQBSA-N 404.492 0.337 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]34CCC(=O)N3CCS4)CC2)cc1 609568774 RKBGJYAZHLRZTO-GOSISDBHSA-N 420.516 0.457 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)ccc1OCC(F)(F)F 609957351 GPKOXKOXAWARAT-UHFFFAOYSA-N 412.324 0.703 30 20 HCED CC(C)(CO)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 611430831 STJDKLJADWDYDB-FQEVSTJZSA-N 417.529 0.923 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@H](C)O)cc1 611527892 FJXAAYYWVIDPPC-WDSOQIARSA-N 422.551 0.715 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 729491132 UFSODRAJCDJORH-CQSZACIVSA-N 411.480 0.837 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1 730565088 QEMUNVSENPMXHF-UHFFFAOYSA-N 412.471 0.050 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(C#N)cn4)CC3)ncnc21 730892535 SJMKXZGCDPSPGD-UHFFFAOYSA-N 406.406 0.136 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 732762263 RYFMIPNDRRLVFV-UHFFFAOYSA-N 421.523 0.675 30 20 HCED COc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910842 VURBOJGFVCEKNI-BBRMVZONSA-N 419.459 0.014 30 20 HCED Cc1noc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 737254602 POVMWSYFWZYMEH-HYARGMPZSA-N 420.451 0.446 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 741343073 KNZMQRLEFCQCOW-HNENSFHCSA-N 414.374 0.944 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 745442472 VXFVRAABNINWQM-KIHBGMQMSA-N 417.443 0.722 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CC1 746187416 OEAKKFRVWQCCJS-UHFFFAOYSA-N 414.506 0.591 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)c1 750414545 MFWQVZVJRMHOKM-UHFFFAOYSA-N 423.472 1.000 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)ccc2F)c1=O 753791643 VFZPQSBLZBHGHH-UHFFFAOYSA-N 411.867 0.774 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C1 755543363 BODIYMZRNQCIJJ-QWRGUYRKSA-N 412.397 0.962 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 755548399 QPHUIRQHMXDGKV-HZMBPMFUSA-N 419.413 0.738 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2nnc(-c3sccc3C)o2)CC1 757989056 YRGYYSXATWUEGM-UHFFFAOYSA-N 402.480 0.412 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(CC(F)F)CC1 767117855 HLKBTEJTFYGTHJ-UHFFFAOYSA-N 400.451 0.915 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CO)CC2)cc1 767854535 ZZQYDEIBOXPUHH-SILNSSARSA-N 423.495 0.168 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)c1nccc2c(S(N)(=O)=O)cccc12)C1CC1 768625321 UEPJPNBIVFLHMS-SFHVURJKSA-N 402.432 0.847 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2ccnc(O)c2Br)CC1 772229274 DXHGPNWBPZQIPM-UHFFFAOYSA-N 409.284 0.376 30 20 HCED CCOC(=O)c1csc([C@@H](C#N)C(=O)CN2CCN(S(C)(=O)=O)CC2)n1 778618147 PRGOHXAOCVYNSP-NSHDSACASA-N 400.482 0.073 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(=O)NC)C1 782090175 UMXJMGPYNICAGL-GJZGRUSLSA-N 422.507 0.257 30 20 HCED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)OCC(=O)NC1(C#N)CCC1 784206729 WKWDODIBNSHBHB-UHFFFAOYSA-N 408.480 0.919 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@H]2C1 784757766 HEIVTWNPSANXON-AWEZNQCLSA-N 402.407 0.575 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 789809824 WNNPRDNRPAOLDV-INIZCTEOSA-N 405.476 0.664 30 20 HCED C#C[C@H](NC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)N[C@H](C#C)[C@H]1CCCO1)[C@H]1CCCO1 791138650 GWNKBEBSLVVFCZ-IWQCLKLKSA-N 414.502 0.812 30 20 HCED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799835692 WLSIBQXFTNCKNV-UHFFFAOYSA-N 423.369 0.573 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 807381131 FMYRFXLAUDGCJV-UHFFFAOYSA-N 421.475 0.774 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)c1ccc(F)cc1 813040813 BOYSHQXZSTWZAH-INIZCTEOSA-N 401.398 0.214 30 20 HCED Cc1c(C=NNC(=S)NCCN2CCOCC2)c(=O)n(-c2ccccc2)n1C 912784704 MXYCMCFDLYEVJG-UHFFFAOYSA-N 402.524 0.615 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)cc1 918271507 MMKDZEAHMDDBTK-HMAPJEAMSA-N 423.495 0.066 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 918319754 WRDQDPDJCMBXAH-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCS(=O)(=O)CC1 1116919124 ZBUPBSMEPBOKNQ-CQSZACIVSA-N 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403.479 0.672 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1836857436 QJUFWSYCOOOYCO-INIZCTEOSA-N 403.483 0.315 30 20 HCED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837562821 RBYAQQAHJYEOGX-XLKWYTADSA-N 406.483 0.155 30 20 HCED CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567356 GGSBYGAOSNDOSD-JLDPKJTDSA-N 407.467 0.582 30 20 HCED C#CCCCCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837968280 HCXIHQCBFTVSTF-UHFFFAOYSA-N 402.499 0.865 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1838062447 YJDWDGRKDWUETM-KRWDZBQOSA-N 423.510 0.504 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838727359 XYYLOXQPAILZGQ-CQSZACIVSA-N 424.450 0.635 30 20 HCED Cc1nnsc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838736209 QDRATNSBPMHHGI-SFHVURJKSA-N 416.463 0.430 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1OC 1838930784 NCINVMYAYVZBMK-HXUWFJFHSA-N 403.435 0.687 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839047429 PCDWTVLVXMDLOT-JOCHJYFZSA-N 423.473 0.142 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839641441 HWBGPGRNLCXWFO-WDFHVHJUSA-N 423.558 0.255 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839839848 OKPOMFQOSILVRT-FOIQADDNSA-N 404.467 0.767 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840162773 HDMLJPZWBODUCT-UZLBHIALSA-N 411.568 0.780 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1840170463 HXWIXJRDGGJBEZ-NRFANRHFSA-N 402.495 0.923 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840589085 YIHYDDQOXRUQFN-NPPFBWRTSA-N 424.538 0.833 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1ccc(C)cc1)CCO2 1840905905 URLQKBRUDCNPEA-JOCHJYFZSA-N 415.490 0.757 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1841604935 CPPIYSFZSKAUHQ-DZGCQCFKSA-N 408.524 0.975 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(N3CCOCC3)cn2)C1 1842265010 VZFFTEJEKYZBTH-KRWDZBQOSA-N 412.490 0.774 30 20 HCED CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1846700673 IHVYCYRIZUMVRT-YCPFAOKUSA-N 401.485 0.154 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1847262789 HJUHBHSNIXKYLB-DCRCIZNYSA-N 414.506 0.448 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4ccccn4)CC3)CC2)o1 29709915 KGPFHXKMYGLSKN-UHFFFAOYSA-N 409.494 0.716 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)c1 51892552 VBMBPJJCXXSUPR-GOSISDBHSA-N 408.414 0.788 30 20 HCED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NCCF 409923009 YIQJPVIGPGUOFB-ZDUSSCGKSA-N 410.471 0.549 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 429307058 IXYRWLLFSHJEDL-RDBSUJKOSA-N 417.470 0.025 30 20 HCED COCCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3Cl)[nH]2)[nH]1 435001108 VQUOLXYTLSKWCY-UHFFFAOYSA-N 413.825 0.661 30 20 HCED C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 435949491 MLBJXAOIAIUGOG-SMDDNHRTSA-N 404.872 0.867 30 20 HCED CCn1c(CN2CCO[C@@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 436121172 HFEDBIASONBYMF-HNNXBMFYSA-N 419.507 0.801 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 438062404 NJZVPMMLEVRSEF-DOTOQJQBSA-N 416.544 0.308 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)C1=O 440275386 SAMQQIXGPLDLKQ-QGZVFWFLSA-N 424.461 0.463 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCOC1 441932313 YVCWFTMXDQQFDE-HNNXBMFYSA-N 412.515 0.617 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c2)c1 442270903 LZTXYKMICABRLL-PMACEKPBSA-N 422.437 0.766 30 20 HCED Cc1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccc1C#N 443872495 AMSDVJIOVFZTAG-KRWDZBQOSA-N 413.521 0.682 30 20 HCED COCc1noc(CN2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 444736843 REOKZOMEEHMYFK-UHFFFAOYSA-N 405.480 0.679 30 20 HCED CCO[C@@H]1C[C@](CO)(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1(C)C 444805473 VJFKIDMKKXFOAS-OXQOHEQNSA-N 405.499 0.659 30 20 HCED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446527007 OIXAFWSUCJOUFS-UHFFFAOYSA-N 422.507 0.412 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)cnc2n(C)c1=O 461278259 VESQQXXLOQVYML-UHFFFAOYSA-N 402.374 0.337 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 465071440 HGYISQOQXRLIIF-CJNGLKHVSA-N 402.480 0.774 30 20 HCED CC(C)C[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 467263494 XCBPNOVAKFDUAE-HZSPNIEDSA-N 412.458 0.082 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C(C)C)c1=O 478836989 CZESNJYUEJRPNU-OAHLLOKOSA-N 415.519 0.505 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 481145249 SDRWIVUTELQRPA-CXAGYDPISA-N 400.460 0.438 30 20 HCED N#Cc1ncc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 488791345 YABQGPHTQYHUFD-UHFFFAOYSA-N 417.447 0.064 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 497836905 QOWYXMCJBKJPRD-UHFFFAOYSA-N 406.483 0.940 30 20 HCED C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)N1CCOCC1 505509459 FAFDMRQEVHMHRT-DAYGRLMNSA-N 413.478 0.989 30 20 HCED COC(=O)[C@]1(C)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1C 506726170 MIIZMSUKTKEMCL-ZUOKHONESA-N 410.434 0.794 30 20 HCED CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NCC(=O)NCC#N)c1 508997008 OIXWNRCYPBXCGN-UHFFFAOYSA-N 423.495 0.028 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCc1cccnc1 524109590 JXXFLUIVZIFUQC-UHFFFAOYSA-N 408.458 0.936 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 524951124 YPMAUXPUEVOSDH-WBVHZDCISA-N 414.462 0.369 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)NC1CCCCC1 536482350 PNFXCFHUHVBOAA-CQSZACIVSA-N 421.523 0.973 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 539453272 JXVPHMKKYSAVQM-HRCADAONSA-N 406.508 0.719 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)n2)c(Cl)c1 541142482 RKGZHCQTCSYMKA-NSHDSACASA-N 401.814 0.605 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1C#N 544836691 FHKOXVAXSQIACI-ZDUSSCGKSA-N 415.855 0.280 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H](C)S(C)(=O)=O)c(C#N)cn1CCOC 548502215 DIRACDNSAZWPKR-LLVKDONJSA-N 400.457 0.737 30 20 HCED N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)CC2)c1 551510024 ODVWXFXYLVTSBE-UHFFFAOYSA-N 404.430 0.633 30 20 HCED Cc1ccc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1S(=O)(=O)NCC#N 553286793 GOAFRFJBUCWIHQ-UHFFFAOYSA-N 419.463 0.048 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccnc2OCC(F)(F)F)C1=O 556003046 ULMSBDDDKGHVNQ-CYBMUJFWSA-N 414.384 0.884 30 20 HCED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)n(C)n1 556066547 RUGOWAVDRNSDMW-OAHLLOKOSA-N 412.498 1.275 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)c1 559598376 ANSISRVZQWEYGP-UHFFFAOYSA-N 410.478 0.119 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 562228175 RYUSWDFNXPPNFA-UHFFFAOYSA-N 410.433 0.205 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@H]3c3ccccc3)CC2)c1C#N 569162604 VLYUCGBJDQCQRI-OALUTQOASA-N 422.489 0.895 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1cc(OC)c(OC)c(OC)c1 571903152 MUJPSPJOOJTIKR-UHFFFAOYSA-N 412.424 0.608 30 20 HCED COCCN(CCOC)S(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 578266078 UMFHYVSJWDQYBK-UHFFFAOYSA-N 403.530 0.285 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)S1(=O)=O 584798361 JNOVPQQUXDOPAG-HIFRSBDPSA-N 413.521 0.603 30 20 HCED N#Cc1ncn(CCNC(=O)CCn2cnc3ccc(Br)cc3c2=O)n1 586828242 VGVIPKZDRGVWIW-UHFFFAOYSA-N 416.239 0.829 30 20 HCED CCCCN(C)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 586847973 RENNCNVDCJKCGQ-UHFFFAOYSA-N 402.499 0.920 30 20 HCED COCCN1CCC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 609609956 GKXXWJRKRREFMK-WMZOPIPTSA-N 413.478 0.990 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)n1 615070054 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C#CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@@H]1c1cccnc1 1807738892 GPQVWRQZJLPJCL-UGSOOPFHSA-N 413.459 0.186 30 20 HCED Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810410884 SAVLOMBPILFZBH-IIBYNOLFSA-N 409.446 0.758 30 20 HCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1813041496 KCAXLZQZXIHCGI-JCKWVBRZSA-N 401.492 0.663 30 20 HCED N#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817466645 RGVXFFZOZUPPGL-CYBMUJFWSA-N 409.410 0.750 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCO4)sc2C1 1819122172 LTUISNDIKPQGRD-SNVBAGLBSA-N 415.431 0.436 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819876296 FLARSCVNNKMPGQ-ABAIWWIYSA-N 407.496 0.255 30 20 HCED CS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819948558 SSGADMUBHVCYIM-SUDUWZNWSA-N 424.504 0.812 30 20 HCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC1CC1)CC2 1820184343 PFNAXFHWJQGVFQ-DZGCQCFKSA-N 404.492 0.620 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CCc2nc(N)n[nH]2)CC1 1824490641 SALACUFQESEKIR-DOTOQJQBSA-N 416.526 0.978 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221444 LBVUXDMHYBFTHV-OAQYLSRUSA-N 421.494 0.381 30 20 HCED C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 1831322017 PUKYXPQDYFSCOM-GOSISDBHSA-N 409.552 0.911 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1831424779 MOLHHFKJLFRXKL-DNVCBOLYSA-N 409.508 0.733 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1831485541 WTBWXYMBPMMQQZ-PKOBYXMFSA-N 410.540 0.753 30 20 HCED Cc1cccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831835617 ZWSGKXVZCNUTMY-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425502 GZLAYSZDIRLZHQ-DNVCBOLYSA-N 413.540 0.164 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833428560 AOMRLDKCMVBUFI-FQEVSTJZSA-N 418.538 0.123 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnsn3)CCO2)C1 1833531736 ZZANUILQWCFQFX-KSSFIOAISA-N 410.496 0.181 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1C)CCO2 1834321286 FRCDTMXQHCBHRJ-HXUWFJFHSA-N 406.483 0.473 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSC(=N)N)CCO2)C1 1835512536 PWPWIGSJVHRHLO-DNVCBOLYSA-N 410.540 0.838 30 20 HCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835697863 YWFQJBCSHRSZSR-KRWDZBQOSA-N 409.556 0.388 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)CC3CC3)C2)C1 1837489466 IDJXYSYDPAFELW-JOCHJYFZSA-N 404.507 0.942 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccncc2O)CCO3)c1 1837819808 VJTKBONBLFQNJH-HXUWFJFHSA-N 411.418 0.371 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1838653658 OFWSDKBSBCNCQX-JKSUJKDBSA-N 422.526 0.922 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839886875 MYDYCHZPGHTFDX-SFHVURJKSA-N 401.454 0.750 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1)C(F)(F)F 1839893840 SPLVOOXOUPAEQD-INIZCTEOSA-N 402.373 0.907 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCC#C[Si](C)(C)C)C2)C1 1840024635 GEHSHUKNWBEURM-XLIONFOSSA-N 410.587 0.875 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047967 MEXWQHUXWDKBEM-IWQHBPENSA-N 422.522 0.993 30 20 HCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840145406 GGJTUVYWFGOJLQ-JXXFODFXSA-N 407.467 0.336 30 20 HCED CC(C)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)CC1 1840159043 VQSIUIOEYKFFPK-OXQOHEQNSA-N 413.584 0.882 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4ncccc34)C2)C1 1840160452 HQCCFYRSGVIZGI-ORAYPTAESA-N 404.492 0.951 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1840204446 QPXSZTPEHCXULK-VGSWGCGISA-N 415.490 0.982 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)Cl)CCO2)C1 1840285211 GRUWVTKOFVUVNC-WBMJQRKESA-N 410.845 0.848 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=C/c4cnccn4)CCO3)C2)CCC1 1840488503 ODVAWGZQFXXTLE-ATKOVBFVSA-N 411.462 0.640 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840538472 IPOUHXYEWOULAW-KKSFZXQISA-N 417.437 0.804 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842840117 NQNGHEGULWKYQH-UHFFFAOYSA-N 403.523 0.611 30 20 HCED CC#C[C@@H](CC(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1)c1ccc(O)cc1 1844224838 JCSUNWXNMVEVLS-INIZCTEOSA-N 408.458 0.969 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845772386 JRBHUUMZDJRKKF-UHFFFAOYSA-N 414.462 0.463 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CCO1 409495990 QWEYCCDPOBSVFQ-OAHLLOKOSA-N 421.504 0.632 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 409579432 DAYZOPRTLLUAOI-LBPRGKRZSA-N 419.485 0.189 30 20 HCED Cn1c(NC[C@@H](CO)Cc2ccccc2Br)c(C#N)c(=O)n(C)c1=O 428647268 ADUDPZSXZAXMAV-NSHDSACASA-N 407.268 0.981 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(F)cc1 434586224 OKHGJGLJUUZCEI-OAHLLOKOSA-N 401.398 1.256 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 434763414 KCCXVMBUQNEGJR-UHFFFAOYSA-N 424.509 0.782 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C 434811952 AQFJPDMJQXRPQQ-CJNGLKHVSA-N 424.465 0.609 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)cn1 439362822 VHZLJNNPWHOZOM-SFHVURJKSA-N 423.477 0.791 30 20 HCED C=CCNS(=O)(=O)c1cc(-c2nc(-c3cn(C)c(=O)nc3O)no2)ccc1F 445434152 OVTXWDLJMMPRJC-UHFFFAOYSA-N 407.383 0.806 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 447200462 PHKLKKWUEPMCBD-CQSZACIVSA-N 418.516 0.525 30 20 HCED CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 448318157 MLFCPNXWYDDUET-QGZVFWFLSA-N 409.494 1.373 30 20 HCED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448501465 OYEIKZMYLWCLAE-UHFFFAOYSA-N 424.505 1.464 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 465188905 VNKFUCBNIOVNAY-CQSZACIVSA-N 406.512 0.447 30 20 HCED CCO[C@H]1C[C@](O)(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1(C)C 476845638 CSSRPRKZWRMXCY-LPHOPBHVSA-N 409.508 0.861 30 20 HCED COCCC(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 487321024 JDRPTZAZBTYMJA-HNNXBMFYSA-N 415.498 0.596 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(N)nc(C#N)c2C#N)cc1 490145879 WKJJFPCGOGSCLR-UHFFFAOYSA-N 401.452 0.878 30 20 HCED CS(=O)(=O)CCCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 492348136 BAIOZMNZPWRDTE-UHFFFAOYSA-N 404.496 0.993 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)C1=O 500023468 IAFJUMOAOSOANJ-HNNXBMFYSA-N 424.523 0.603 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 502268615 OFAIRVBIJBECCQ-VQTJNVASSA-N 423.517 0.862 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc(OC)cc1OC 508308567 ZPZSQBWUOASKBG-UHFFFAOYSA-N 416.394 0.099 30 20 HCED CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)n1 509166023 VVLVSENADAPSAU-KBPBESRZSA-N 400.505 0.763 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)C1=O 512875450 DATGTKYITAMYNH-OAHLLOKOSA-N 410.390 0.183 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@]2(CCO)CCOC2)n1 513316220 MJDSMNHOQNFGDD-LJQANCHMSA-N 401.398 0.727 30 20 HCED CNCCCc1[nH]nc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)c1C#N 516151522 UBOWNWOCSSHRHM-UHFFFAOYSA-N 420.495 0.945 30 20 HCED N#Cc1c(CCCNC(=O)NCCCN2C(=O)CNC2=O)nn(-c2ccccc2)c1N 518197468 CIBMLDQYXGFIJY-UHFFFAOYSA-N 424.465 0.500 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCO[C@@H]3CCOC3)CC2)c(F)c1 519128139 DUGLANROPPELDF-MRXNPFEDSA-N 404.442 0.658 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 519290993 FYYPZSXDZYMMAN-MRXNPFEDSA-N 420.491 0.859 30 20 HCED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 527030365 NSFVDNXCQMWSJS-CYBMUJFWSA-N 415.446 0.033 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccn(CC(=O)OCC)c2=O)CC1 532814075 PFWHZRIIJRHKDF-UHFFFAOYSA-N 404.467 0.507 30 20 HCED CCCNC(=O)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 533281124 LBKLFDKEEOEAQR-UHFFFAOYSA-N 402.499 0.742 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 537153528 KIVRXEYXBFJYIH-UHFFFAOYSA-N 421.461 0.326 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 546709440 PYEWSDSIYSYQGS-UHFFFAOYSA-N 408.461 0.662 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 549917017 BCTBVNKRLWFFEL-UHFFFAOYSA-N 409.446 0.935 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)C2=O)cc1 550892148 PMODZNZOCYMJLQ-MAUKXSAKSA-N 406.446 0.567 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 551150539 WBINURVTZKWKLJ-UHFFFAOYSA-N 423.473 0.943 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C1=O 554149719 BFHDTDVDOONVBL-GOEBONIOSA-N 415.469 0.862 30 20 HCED CCS(=O)(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 569895563 SFHVIVUUAGAHNB-UHFFFAOYSA-N 421.500 0.947 30 20 HCED CO[C@@]1(C)C[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1(C)C 571272478 ITQZGSCPAKFALC-YWZLYKJASA-N 402.499 0.569 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCOCC(F)(F)C2)cc1 583523550 FGSLWCANKFDGQC-UHFFFAOYSA-N 417.434 0.926 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)no1 587666761 XGBVNKHRSRQRHK-HNNXBMFYSA-N 424.461 0.815 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(=O)N4CCCC4)C3)CC2)o1 588212870 BWVRZCOLAPVONQ-INIZCTEOSA-N 400.483 0.448 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 588765498 QYGQJKUDWLYWAR-SFHVURJKSA-N 404.474 0.997 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)c1 588776389 PUSSMWLNIPOWSQ-UHFFFAOYSA-N 423.516 0.869 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cc1 604148120 MVTVLOHUZRBJQC-UHFFFAOYSA-N 416.445 0.817 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 610913161 DNDSFOUCYNHNJL-YOEHRIQHSA-N 406.508 0.595 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 610955587 AGRIFRGJIBKSNY-UHFFFAOYSA-N 410.455 0.169 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 610955697 VIHSQDDXTVPSNT-UHFFFAOYSA-N 424.482 0.561 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(NC(=O)COC)CC1 612200149 AVRUPDQAXUYIRJ-UHFFFAOYSA-N 418.450 0.276 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)c1 614605779 MFBWARLZIGEABT-MRXNPFEDSA-N 422.551 0.823 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(OCC)cc2)C1=O 726043694 QAWZWVFKWIDYQA-LBPRGKRZSA-N 403.391 0.932 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CCN1CCCS1(=O)=O 727000421 VYMJRDJQWNWRJL-UHFFFAOYSA-N 417.447 0.651 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)CC1 728532389 YHXOWCKPXBISRJ-KRWDZBQOSA-N 406.433 0.426 30 20 HCED C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cn1 728804406 GRFSPGUZNVQOFQ-INIZCTEOSA-N 419.484 0.781 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)ccc1OC 733276081 CLPSVDSVEUFYCG-AWEZNQCLSA-N 421.479 0.927 30 20 HCED C#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 735864466 RSKQYXBQHVPBNV-MRXNPFEDSA-N 411.505 0.334 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 740518646 HWKPUSTZLFJJIU-UHFFFAOYSA-N 418.519 0.504 30 20 HCED N#Cc1ccccc1N1CCCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 748108069 UIDDEIWFPHYDLI-UHFFFAOYSA-N 421.523 0.442 30 20 HCED C#CCN1CCN(C(=O)Cn2nc(-c3ccc4c(c3)OCCCO4)ccc2=O)CC1 749874450 QNYHVUORWAHLPJ-UHFFFAOYSA-N 408.458 0.849 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1=O 751618764 RLFKPWHZICYSGJ-ZDUSSCGKSA-N 418.456 0.766 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)CCC(=O)N3C)c1=O 753761553 YYFHIBGKANENFC-UHFFFAOYSA-N 410.430 0.336 30 20 HCED CNC(=O)N1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 754337716 MSQOQJWKOKGIEE-OAHLLOKOSA-N 421.523 0.623 30 20 HCED CN1CCN(c2ncc(C=NNc3ccc(S(=O)(=O)NC4CC4)cn3)cn2)CC1 755636734 VDMRXAATKRBNOX-UHFFFAOYSA-N 416.511 0.510 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 757391903 WMCDURAINQOMAW-IGMJJTELSA-N 406.483 0.985 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758752496 BVYKTXPKIKWWJX-CVEARBPZSA-N 403.483 0.916 30 20 HCED C[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1 761212433 NULFLMJZVNXUMW-LBPRGKRZSA-N 416.411 0.985 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c1=O 761298626 DTTKOEKUGNSATN-GOSISDBHSA-N 409.446 0.446 30 20 HCED N#Cc1c2c(cn(CN3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)c1=O)CCC2 766632292 MDLYUIYEBLHPGP-INIZCTEOSA-N 406.508 0.293 30 20 HCED C[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CN(Cc2ccccc2)C1 767388671 UXBCIMWFFWIEBJ-CQSZACIVSA-N 419.507 0.260 30 20 HCED Cc1nc(N2CCOCC2)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 770214606 PKSICNHEXRSEMH-UHFFFAOYSA-N 415.475 0.904 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)c1cc[nH]n1 772384753 OAMZWMXCXBCXSD-UHFFFAOYSA-N 406.420 0.662 30 20 HCED C=CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 772717186 FICVBRKBJLJSCI-BETUJISGSA-N 402.494 0.730 30 20 HCED C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@H]1CCCO1 773299946 WGCMMEHADCTAIT-ZWKOTPCHSA-N 420.535 0.603 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCO1 773549835 UICNXMNWBNFCMC-QZTJIDSGSA-N 402.476 0.755 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC(C)(C)O2)cc1 774453447 UUMVEGMSDUZIBD-AWEZNQCLSA-N 411.480 0.699 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774528505 DURKFCUUMFZJDJ-UHFFFAOYSA-N 422.510 0.620 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)[C@H]1CCCO1 774840892 GKYMXDMRXOZVKW-XUVXKRRUSA-N 415.490 0.482 30 20 HCED N#CCCCS(=O)(=O)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 776115719 SBUGGPLCJJNZBE-UHFFFAOYSA-N 405.523 0.825 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776705421 HNUXWQIPBDRHIU-KNTRCKAVSA-N 415.406 0.688 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2nnn(C)n2)C1=O 783009507 JNSDMZLHYZZRJJ-CYBMUJFWSA-N 419.467 0.495 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 783547238 IZUYISHROJGWEO-UHFFFAOYSA-N 413.521 0.565 30 20 HCED CC(Cc1cccc(C(F)(F)F)c1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 799111100 BTEKSYCYHFHOIN-UHFFFAOYSA-N 418.397 1.000 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1=O 799267390 JYPAZPZVSOUAPD-KRWDZBQOSA-N 404.442 0.846 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCCOC2(C#N)CCOCC2)c1 809081703 JASSFJKNZJMKCN-UHFFFAOYSA-N 401.441 0.186 30 20 HCED C#CC[C@@]1(C(=O)NCCNS(=O)(=O)NC(C)C)CCCN1C(=O)OC(C)(C)C 809798896 UDCFSNPKGDDKGE-SFHVURJKSA-N 416.544 0.728 30 20 HCED Cn1c(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc2c(=O)n3ccccc3nc21 813979077 MJMAIFIAFHTYFE-UHFFFAOYSA-N 408.399 0.572 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914816740 JMYVIUKMLRWWNC-UHFFFAOYSA-N 400.453 0.882 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 916870049 DNYXYRCXAPCCAK-GFCCVEGCSA-N 417.871 0.997 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916874909 HQALVFJXUAXJGE-INIZCTEOSA-N 409.464 0.183 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCCSC 917786529 QAZKTCRTIRFCST-UHFFFAOYSA-N 419.576 0.863 30 20 HCED CCOC(=O)c1c(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)n[nH]c1C 918746706 VMNBBYFIOOWDDS-UHFFFAOYSA-N 404.452 0.672 30 20 HCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC(=O)N1C 1291223708 LUJSIVPIHLPUJR-QVKFZJNVSA-N 409.494 0.550 30 20 HCED CCN(C)C(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1313555442 QGFYBCWFKOHXRU-INIZCTEOSA-N 408.466 0.724 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1321266278 BCJCXLTVFXZVLD-QGZVFWFLSA-N 416.521 0.158 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C)CC1 1338771326 NEFKNHRTEXOLOV-UHFFFAOYSA-N 401.492 0.851 30 20 HCED C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(=O)O 1344551738 FTOLDODSVNJXNV-OAHLLOKOSA-N 411.480 0.533 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)N1CCOCC1 1360646475 PSGNNXLDANWRLH-ILXRZTDVSA-N 413.548 0.347 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1463858150 PXXVFZPZPLQPAP-NSHDSACASA-N 408.477 0.120 30 20 HCED CC(=O)N[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1473567840 ZFHYAPAHEAQUSX-OAHLLOKOSA-N 412.450 0.665 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1499307836 NNFWVWWPUJRKIY-OAHLLOKOSA-N 402.480 0.576 30 20 HCED Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1542483316 PFASNEQBEMNRAZ-NQIIRXRSSA-N 412.494 0.961 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3nc[nH]n3)CC2)CC1 1619270783 POPCPQUMHAAGNG-OAHLLOKOSA-N 400.512 0.397 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](CS(N)(=O)=O)C2)CC1 1654974895 KIMHDDFPIUDYNG-LSDHHAIUSA-N 411.553 0.067 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC1CC1 1692784508 KFMREBGXXUJROT-ZDUSSCGKSA-N 423.543 0.545 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1COCCO1 1692788095 SRGCOBWIPBTJOW-DZGCQCFKSA-N 412.516 0.434 30 20 HCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1695438949 WKOAJFRRWKKJMP-UHFFFAOYSA-N 402.480 0.578 30 20 HCED CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1695918974 ZWUDSNRHCXLXLO-KBPBESRZSA-N 410.544 0.938 30 20 HCED CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1741257743 NYBVWJVZMLBCKY-OAHLLOKOSA-N 411.466 0.713 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1748295919 RGNQMQYOIXFPSC-OAHLLOKOSA-N 420.495 0.155 30 20 HCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1760608889 JNQJCVPRYWWDMG-UHFFFAOYSA-N 417.495 0.034 30 20 HCED CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1767358977 SGXAHSMYRYUPBM-RYUDHWBXSA-N 401.393 0.452 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c[nH]nc23)C1 1777891733 JMWXAOIFIQHABT-IIBYNOLFSA-N 410.430 0.778 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1778084683 XLIFTRFSBPYIHT-DZDCQFRTSA-N 408.524 0.879 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1779062477 KTXIAYDUEDPFRS-JOCHJYFZSA-N 413.474 0.462 30 20 HCED Cn1nccc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062773 OKMDXJOXFUCGNZ-NRFANRHFSA-N 400.479 0.562 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1779063410 XQOXJSDNSFIJJA-QFIPXVFZSA-N 412.490 0.548 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779428504 MDXQXVZILLYPCB-JXRHFWTJSA-N 421.450 0.117 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)s1 1780332969 MIILYDNPQCZDQE-SFHVURJKSA-N 400.464 0.733 30 20 HCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1)n1ccnn1 1782762888 CQBOOKDEGNPNOV-IERDGZPVSA-N 424.461 0.620 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)CCO2 1783114234 NTIACCCJWQGIIE-AVYPCKFXSA-N 411.499 0.872 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1784393887 VNFYGVCXEFOXAC-IBGZPJMESA-N 412.475 0.912 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(=O)OC(C)(C)C)[C@H]2C1 1784777259 DIEINGODIKRDEK-QAETUUGQSA-N 408.495 0.736 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOCC4)[C@H]3C2)c1 1786724661 UHYDJKUZZOTPEO-UFYCRDLUSA-N 412.490 0.484 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786801176 OSAIUPRBSSFGPN-ATIWLJMLSA-N 406.527 0.327 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786866963 XABGXQHVZGXLSR-DZBHQSCQSA-N 400.479 0.099 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)NCC)[C@H]2C1 1788564653 HBIGGGCNDSPXPM-XAJHFOFHSA-N 424.542 0.247 30 20 HCED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788721300 KQVWHGQNIDARKT-HZEGPAAWSA-N 421.501 0.946 30 20 HCED 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CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840593060 TYEOBJBRPMAPQQ-NRFANRHFSA-N 422.526 0.030 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1840840692 IHAAPCCRLNSFJY-QFIPXVFZSA-N 416.474 0.813 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1840842212 UEIQDODGCBZJLI-OAQYLSRUSA-N 400.431 0.899 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C)cc(C#N)c1)C2 1844159468 FBVWGNUXWIFMCR-INIZCTEOSA-N 400.435 0.748 30 20 HCED C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845004262 AXASOPZOLBVPEZ-CYBMUJFWSA-N 401.394 0.235 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nccnc2C(N)=O)cc1 1847211069 BDMDDAHFLPTVGL-IRXDYDNUSA-N 418.457 0.895 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC 1847261940 QHOCCRVIMHGATF-NVSAVEAQSA-N 415.490 0.802 30 20 HCED CC(C)(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)NC(=O)OC(C)(C)C 1847584073 XBZUCQJKUIMRSZ-KBPBESRZSA-N 407.467 0.970 30 20 HCED N#CCCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 10793652 BEBSJFMYJCYJTK-UHFFFAOYSA-N 415.855 0.548 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ccc3c(c2)OCCO3)c1=O 23845732 SWDOSMBQBPSNFS-UHFFFAOYSA-N 400.435 0.404 30 20 HCED CCOC(=O)Cc1csc(/N=C(\O)CN2CCN(S(=O)(=O)N(C)C)CC2)n1 27432362 YWCMMMAPJOBOKQ-UHFFFAOYSA-N 419.529 0.261 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2cccc(C(C)=O)c2)c1=O 31584719 VARKZEWVXLDGMW-MRXNPFEDSA-N 401.419 0.186 30 20 HCED Cn1c(N2CCN(c3nnc(C(F)(F)F)s3)CC2)c(C#N)c(=O)n(C)c1=O 302395714 GKBZTMRSNORGMN-UHFFFAOYSA-N 401.374 0.153 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 409476596 MENXARRFEUOYMG-CQSZACIVSA-N 402.423 0.767 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@H](C)C(=O)NC[C@@H]1CCCO1 429898724 PDUKYSULIUEHBT-OLZOCXBDSA-N 406.468 0.379 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 437062851 NVTQGZHLYSSTON-WMLDXEAASA-N 400.435 0.774 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)n1 438319469 HMZBEDXEMCPSQC-UHFFFAOYSA-N 412.479 1.216 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)n1 439042313 SXLQULXAYDLSPA-QGZVFWFLSA-N 408.462 1.546 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O 442777850 FARCZFZJPPIYRC-RRFJBIMHSA-N 410.515 0.944 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 443076363 KBYVJJJIALJXLI-CQSZACIVSA-N 405.473 0.464 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 443742141 GLJCOZHYTGCWBR-ZIAGYGMSSA-N 403.468 0.406 30 20 HCED Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 448309144 VMPXUCMBGFBYCL-MRXNPFEDSA-N 418.498 0.327 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)C(C)C 465129837 AKDYUIVZLUXBPD-QGZVFWFLSA-N 401.511 0.854 30 20 HCED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 468072507 AWCMWOASUMFMHJ-HNNXBMFYSA-N 409.450 0.829 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)[nH]c21 468111207 PYIIOUAYPJCOMZ-BLVKFPJESA-N 400.439 0.749 30 20 HCED COCC(=O)N1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472083536 MFAVWVCRVHTLMY-UHFFFAOYSA-N 403.487 0.069 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)oc1C 472208298 SOVQDBIHWUEFNW-UHFFFAOYSA-N 407.452 0.799 30 20 HCED COc1ncc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1C(N)=O 475249357 VYYSWBUUFROZEI-INIZCTEOSA-N 422.445 0.364 30 20 HCED COC(=O)Cn1cc(CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)nn1 481081231 UTOLQLWFVCFFMD-NSHDSACASA-N 406.424 0.459 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486022070 YCPNBJNZUZHRKE-IERDGZPVSA-N 409.446 0.496 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccnc2OCC(F)F)CC1 498446157 XOFOHCIGTRFMRH-UHFFFAOYSA-N 411.409 0.110 30 20 HCED CC(C)CCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 498456827 CGVOTDKUQBIGKT-HNNXBMFYSA-N 408.480 0.700 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1=O 499990351 WNQGSERNMRSSJW-DYVFJYSZSA-N 406.508 0.330 30 20 HCED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500259332 SHPFXQIGQAMXTO-QWHCGFSZSA-N 410.224 0.784 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H](C)C1 502025453 DHLCQLOQPODBJX-BBTUJRGHSA-N 417.529 0.921 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1=O 505494929 OSZDMFZPKGTYOX-LBPRGKRZSA-N 416.390 0.370 30 20 HCED CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CC(O)(CC#N)C3)ccc21 506383797 AZNXJWHNEFVHOG-UHFFFAOYSA-N 400.439 0.443 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 508902376 JQPWUDGLKOBAQB-UHFFFAOYSA-N 403.531 0.691 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 516485995 SPEZQBXGFKRZHT-UHFFFAOYSA-N 423.429 0.792 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)CC2)o1 526983584 WLPKSSRRFVOHOF-UHFFFAOYSA-N 414.466 0.021 30 20 HCED CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 535350398 PXHBFMXOZGWLHV-RHSMWYFYSA-N 422.507 0.984 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3)ccn2)CC1 537282846 GLCCVOXEYOYGAS-UHFFFAOYSA-N 406.446 0.596 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCNC3=O)C2)CC1 538349807 OHJFVEWCOIWQJA-DLBZAZTESA-N 416.551 0.947 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)n1 543760108 NTQFKXQPAQPRAB-UHFFFAOYSA-N 410.409 0.902 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCOCC1 544180952 MCRDGRVMINXSFB-UHFFFAOYSA-N 404.467 0.749 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1cccc(C(=O)NC2CC2)c1 551237580 FPTWXBOFFYPZDD-UHFFFAOYSA-N 405.436 0.474 30 20 HCED Cc1ccc(C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)cc1S(=O)(=O)NCC#N 557581048 KYMOUYAXKZZWHV-NVXWUHKLSA-N 406.508 0.732 30 20 HCED CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)C[C@H]21 558044533 NSOQALLRDDJBPA-KFKAGJAMSA-N 415.469 0.324 30 20 HCED N#Cc1cc([N+](=O)[O-])c(NCCN2CCOCC2)cc1NCCN1CCOCC1 559589887 POWPOMWRUXLBDF-UHFFFAOYSA-N 404.471 0.955 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c1 568941079 NGBJFPLBGRPCLN-UHFFFAOYSA-N 414.491 0.893 30 20 HCED CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCN(CC(=O)N(C)C)CC1 569954582 SWQKNAUNXIECSL-UHFFFAOYSA-N 401.511 0.239 30 20 HCED COCc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 572427854 CNCNXANGUWTDBF-UHFFFAOYSA-N 410.478 0.712 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 574542548 CUSVNNATCMRFLL-LJQANCHMSA-N 411.506 0.718 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)C1=O 579263590 ACMKQXLZZNWBOX-ROUUACIJSA-N 402.495 0.659 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 582054112 FGBOQGLDBRIRLH-KRWDZBQOSA-N 416.522 0.927 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCO2)CC1 583275854 ANMBGLQJJOOVKY-QZTJIDSGSA-N 418.542 0.775 30 20 HCED CCCC(=O)NC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 583842096 BOHVIGUVCLBHTJ-INIZCTEOSA-N 406.508 0.991 30 20 HCED Cc1ccc([C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)o1 585695044 UNDXBCISSPAXRL-KRWDZBQOSA-N 403.483 0.182 30 20 HCED C[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)N1CCN(c2ccccc2)CC1 585722352 VMYCVAZNSKHFOH-SFHVURJKSA-N 412.538 0.417 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1C 603993529 ZXPVXXJTJPWJIR-UHFFFAOYSA-N 415.515 0.891 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2OC)c(=O)n1C 609822670 SAOALGHIEODKAU-UHFFFAOYSA-N 421.906 0.765 30 20 HCED Cn1cc(C#N)c(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 610560695 RRUHXWQEDXCIBJ-OAHLLOKOSA-N 411.470 0.709 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610967891 VECPFLAZMRVGRL-TZMCWYRMSA-N 407.496 0.237 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@H](O)CC(C)(C)C)C2CCN(C)CC2)C1=O 670396916 LEMQBNHLMMWHMD-MRXNPFEDSA-N 422.526 0.683 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)C1=O 672340972 YDLMFAJREKTINS-PBHICJAKSA-N 406.433 0.905 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 727616796 DYTOJSPPTYTLTH-UHFFFAOYSA-N 404.398 0.931 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(n4cncn4)C3)nnc12 727760600 FPTXGIFCQCXCGG-UHFFFAOYSA-N 422.474 0.997 30 20 HCED COc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910853 VURBOJGFVCEKNI-XJKSGUPXSA-N 419.459 0.014 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 737224794 OREFESGFXGGTHS-UHFFFAOYSA-N 417.871 0.523 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 739153250 ABDORHLQJKHFAJ-AWEZNQCLSA-N 421.413 0.910 30 20 HCED CON=Cc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 741234856 XLHOSKIMDWNWCB-UHFFFAOYSA-N 405.480 0.984 30 20 HCED C[C@@H](CC(=O)N(CCN(C)C)CCN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742641205 CAXOBEQYSJIMPL-HNNXBMFYSA-N 409.556 0.456 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)n(C)c1=O 746486900 XADDZTBJAWDOET-UHFFFAOYSA-N 417.769 0.506 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O 755208420 RKUGFYUNPLBIBK-UHFFFAOYSA-N 407.434 0.645 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1OC 755325250 FXENGMSYKUUKKU-FZMZJTMJSA-N 407.452 0.485 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(CC)s2)c1=O 758052111 BFEABMDLELBNOP-CYBMUJFWSA-N 415.540 0.821 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)cn1 758499473 IYIXUGHKWFJMSC-AEGPPILISA-N 417.470 0.584 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 758775681 KWJWCTIXYBOKSH-UONOGXRCSA-N 415.516 0.422 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)COc1ccc(C#N)cc1 759848193 GXKBOMSNQGTQRY-UHFFFAOYSA-N 419.415 0.775 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 770097857 DCFIXDPXNBOVIO-OAHLLOKOSA-N 417.422 0.348 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 783012557 HIXMILOYOWGAPS-AWEZNQCLSA-N 415.516 0.595 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccccc1OCC(=O)N1CCOCC1 783061279 REUYGELBXQFRBK-UHFFFAOYSA-N 411.480 0.647 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cn1 784768693 GPDOSGLPAQZWES-UHFFFAOYSA-N 402.392 0.309 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784923178 HWHGWMUTGGRZCT-PYCFMQQDSA-N 414.487 0.923 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 787058317 ASARNZZEVZDKOY-ZBFHGGJFSA-N 422.463 0.982 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2scnc2C)c1=O 794580635 ATWSOEFIIVVAKV-ZDUSSCGKSA-N 419.528 0.820 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)CC1 800615386 WCMKMDPZROILHX-UHFFFAOYSA-N 407.402 0.427 30 20 HCED CS(=O)(=O)CCOCCNS(=O)(=O)c1cccc(Br)c1C#N 805015657 POPPQFFDKXBLLC-UHFFFAOYSA-N 411.299 0.660 30 20 HCED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@H](C)N1C(=O)OC(C)(C)C 805060654 FKLFLKQMXQASIK-GJZGRUSLSA-N 407.515 0.947 30 20 HCED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 807924651 QGPJEUCKFSNNLU-WENBPLFZSA-N 422.445 0.559 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4cc(O)cc(C#N)c4)CC3)ncnc21 811186557 QLYZHSZWXLWPLB-UHFFFAOYSA-N 421.417 0.446 30 20 HCED N#Cc1cc(O)cc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 811186898 CMLRURKYCHVWFT-WBVHZDCISA-N 422.459 0.615 30 20 HCED C[C@@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 825293260 QBGRDVMOAYUVSI-GXFFZTMASA-N 408.885 0.877 30 20 HCED NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(N4CCOCC4)ccc32)nc1 915961871 LGJGBAVFGRJPOL-UHFFFAOYSA-N 402.436 0.334 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2cc([N+](=O)[O-])cn2)cc1OC 916922103 CDKVHSHMFFRYAB-AWEZNQCLSA-N 401.379 0.876 30 20 HCED CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 918587542 BVHQOCPDVNAGQL-UHFFFAOYSA-N 410.452 0.660 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)c2cccc(CC#N)c2)CC1 919310895 ZRRVPDXUOJSSTC-UHFFFAOYSA-N 400.479 0.968 30 20 HCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CCCS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 1122493439 QBTBKENKQZBBCW-HNNXBMFYSA-N 418.475 0.957 30 20 HCED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N1CCOCC1 1293100809 PXYOBTPLDGMNIW-UHFFFAOYSA-N 410.482 0.293 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)CCOC1 1296664263 MGSKUMURZADGQT-SQGPQFPESA-N 420.514 0.380 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1314530760 RNOQEILBULROCQ-OAHLLOKOSA-N 402.480 0.563 30 20 HCED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1314636102 ITRPVGSWYXRUAC-UHFFFAOYSA-N 402.480 0.530 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1318814591 IKDHUPDVMAXLGJ-ISLYRVAYSA-N 406.464 0.269 30 20 HCED Cn1c(CC#N)nnc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1321067916 UHXRQYMLELUYKP-OLZOCXBDSA-N 413.525 0.168 30 20 HCED CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1359440706 JBVFJYLEWYZUEF-UHFFFAOYSA-N 420.481 0.741 30 20 HCED N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1521082598 JQHBWQBVMUQIAG-NVXWUHKLSA-N 412.475 0.980 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CC1 1541993487 UDWGLEWQQIDBDY-CABCVRRESA-N 409.512 0.726 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 1627652903 WDGCPVKQGDHNGR-WMLDXEAASA-N 407.492 0.552 30 20 HCED C[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](CNC(=O)OC(C)(C)C)C1 1641649579 LSBVLOFRYCZZIC-OCCSQVGLSA-N 405.455 0.972 30 20 HCED N#Cc1cc(S(=O)(=O)NC[C@@H](O)CN2CCCC2=O)ccc1Br 1667472840 JKAKCWNLXNKNTG-LLVKDONJSA-N 402.270 0.582 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1680398290 KPNFMKHMKGMWSK-CQSZACIVSA-N 409.487 0.810 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1729204340 PSJBJVIBYBMLCY-UHFFFAOYSA-N 407.521 0.820 30 20 HCED CS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1750206668 MKEGSLFMMQUFDC-OAHLLOKOSA-N 409.443 0.770 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1778415056 LYBIHXVSSTURHF-HRAATJIYSA-N 413.478 0.975 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1778966705 ARXXZRUZXSLYGE-WWMYMODYSA-N 404.511 0.922 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780217174 INUQCLBYUOPUQM-WIBUTAKZSA-N 405.451 0.333 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782659422 PLUIUFHHBZLLBM-HXUWFJFHSA-N 404.467 0.056 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1783163794 XYRVZWHZPGBHPC-GPMSIDNRSA-N 413.540 0.242 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783443201 DYHSLNIPPDJOEU-ZSVWIGLLSA-N 420.506 0.733 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc3c(F)cc(F)cc3[nH]1)CCO2 1783561859 MIDOUISPLHLDHT-HXUWFJFHSA-N 417.368 0.978 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc4ccccn34)[C@H]2C1 1784042782 AMJTUYNHCFWEOQ-UMGGQSCQSA-N 424.501 0.895 30 20 HCED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1784261006 XYMBIDNLHJPHDJ-HXUWFJFHSA-N 418.425 0.426 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)cc1 1787118466 JVDIXFBZDBJLJG-FHWLQOOXSA-N 408.462 0.372 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1788573526 WTOKGVNDMDBLHJ-QAETUUGQSA-N 407.511 0.162 30 20 HCED C[C@]1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)CCCN1 1789826456 PAMHUFGOTDWDBZ-ZCTZYEIBSA-N 422.526 0.637 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)COCCO)[C@H]3C2)ccc1F 1789917579 IPYUZGBGHPUPNC-IEZWGBDMSA-N 419.453 0.228 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(F)CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1790794532 PIJVPIPMMHAZGD-KKUMJFAQSA-N 409.458 0.558 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1792632380 UAQKFWUDZAGHFC-YYAJDYIMSA-N 412.446 0.860 30 20 HCED O=C(Cc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1793136939 KZFFYYMAGABNIS-KXJCPHRKSA-N 400.483 0.080 30 20 HCED CC[C@@H](C)[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793403118 ZVAQQAYNEBFIOG-HUOSYWTJSA-N 415.490 0.934 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(NC(C)=O)n1 1794277297 BEURDZIVDRFIEC-JNNRSPCRSA-N 416.478 0.834 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnn1)C2 1797712573 MFDRJKOEURFTPF-KRXQYRFLSA-N 404.467 0.018 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797840373 NERQQQWOSGCYGY-FPZPCRNWSA-N 418.494 0.593 30 20 HCED CC#CC[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2)c1ccccc1 1797877142 KJUOWNQHNHDFIW-BMQTXXJKSA-N 422.485 0.649 30 20 HCED C=CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)c1ccc(C)cc1)C2 1800997786 IBMCXMNGEGXMPB-CWPLJXCYSA-N 406.504 0.934 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c(O)cc(O)cc2O)C3)CCC1 1801983031 HNXCYHAUCLDFSW-DPIQGUFMSA-N 401.419 0.700 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1803452973 WRUCTQCZCLSBFO-JBACZVJFSA-N 412.490 0.151 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1803560615 ORMUZMGCXBIEJR-JXFKEZNVSA-N 413.478 0.946 30 20 HCED C#CCCCCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@H]1c1cccnc1 1807193869 HVSYXWFAACTRKN-LVCYWYKZSA-N 413.522 0.874 30 20 HCED NC[C@H](N)C(=O)NC[C@H]1CCN(C(=O)C#CC2(O)CCCCC2)[C@@H]1c1cccnc1 1808269525 ORDDZYNJWSLORY-WSTZPKSXSA-N 413.522 0.072 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCN2CCOC2=O)[C@H]1c1cccnc1 1809534102 LBNXXPJVGUHLPQ-HNAYVOBHSA-N 414.418 0.018 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)NC[C@H]3CCN(C(=O)C(O)O)[C@@H]3c3cccnc3)c2c1 1812068151 KURYXVQUJRMOEM-RDTXWAMCSA-N 420.429 0.460 30 20 HCED C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1813039487 MEJBAJZBGSZTPE-CORIIIEPSA-N 416.440 0.131 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCOC2=O)n[nH]1 1815024494 XDURTFIPKLFASL-DZGCQCFKSA-N 403.439 0.892 30 20 HCED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](COC)NC(C)=O)sc2C1 1820184352 PMJODRNYAWODTI-OSAQELSMSA-N 424.523 0.797 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ccnc3c2OCO3)[nH]n1 1822200241 CVAMHQBGVJUNJO-ZDUSSCGKSA-N 411.374 0.927 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3ncccn3n1)CC2 1825667214 IVNVIUKDCBFOEY-JTQLQIEISA-N 410.415 0.500 30 20 HCED C=CCC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cc(C)c(O)nc3=O)sc2C1 1827993878 FCQSYHYUFRUSSZ-NSHDSACASA-N 403.464 0.902 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cccc1C=O 1830056106 MIIAREDYMDLNOQ-KKSFZXQISA-N 416.478 0.868 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1830056357 VHRUXNOAUBHKOB-NRFANRHFSA-N 415.494 0.908 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1830064479 LZGOJFAWGCRELX-HXUWFJFHSA-N 406.483 0.005 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1830636580 LRUMKXCTVOHFSV-NRFANRHFSA-N 418.494 0.964 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1831424959 PILCYJVHPKFRJZ-UWJYYQICSA-N 420.510 0.400 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 1831670074 YYZGBGSPIIZQPC-CYBMUJFWSA-N 403.395 0.639 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1832451726 KMYNVKALXKSOKF-FQEVSTJZSA-N 405.520 1.000 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1832462239 GOTRUSJJNVYNIL-QAPCUYQASA-N 418.581 0.476 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834293693 QRDVIVHDXGEGRI-MGPUTAFESA-N 404.467 0.120 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)C(=O)Nc3cccnc3)CC2)CC1 1834604562 FFTFTISWKCOIEW-UHFFFAOYSA-N 412.494 0.895 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(C)=O)CCO2)C1 1835195845 GAAJYDCZECGKCB-OXJNMPFZSA-N 411.499 0.932 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835256823 ORKBEQYJVDCLBE-LJQANCHMSA-N 416.540 0.480 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051523 VDRSORKEBKWEFV-UHFFFAOYSA-N 412.494 0.174 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836220458 JEIUIJFABGUQAV-GCJKJVERSA-N 420.506 0.320 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1836864190 BFDGUZUOVMAZQB-HNNXBMFYSA-N 416.540 0.621 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1836864791 NIOZBHODSLMMQF-QAPCUYQASA-N 407.511 0.855 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(C)c3)C2)C1 1837396218 DFMZYPKZGZUYFM-DYESRHJHSA-N 405.495 0.966 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1837659180 SUBWRCBCSRNPJP-OAQYLSRUSA-N 418.494 0.319 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838331459 CFCYCROUFFNJLJ-OAQYLSRUSA-N 419.478 0.373 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905504 JNCMSWOSRJFKCG-HRAATJIYSA-N 401.463 0.911 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(OC)c3)CCO2)C1 1838926863 RCXPWBDSDIXVAI-JTSKRJEESA-N 416.474 0.804 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1839887480 FFJPHBZKPSOYRZ-QGZVFWFLSA-N 414.409 0.588 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1840175964 OYPICCRZAHOPIN-CSODHUTKSA-N 408.495 0.998 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1840176275 GIEBVKREVBNAPH-JTSKRJEESA-N 415.490 0.837 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840435029 NSAPDJUCDFDIKR-OAQYLSRUSA-N 417.510 0.586 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1841602038 OENSYBQGYMAZSG-AWEZNQCLSA-N 416.503 0.133 30 20 HCED O=C1NC(=O)[C@@H](CC(=O)N2CC3(CCCN3C(=O)/C=C/C(=O)c3cccs3)C2)N1 1843417420 GCHXFODZEOOZFM-ZYOFXKKJSA-N 416.459 0.289 30 20 HCED Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn12 26311417 TZLWNHRLSQNFRZ-UHFFFAOYSA-N 411.447 0.451 30 20 HCED Cc1cc([C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nc(C)n1 41560581 JJPUDJHISUOZPQ-MRXNPFEDSA-N 413.459 0.704 30 20 HCED CCN(CCC#N)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 409554485 QFGJQTQLNUKEJG-UHFFFAOYSA-N 419.485 0.480 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1=O 410113533 SHQQNDODRYHTOV-CYBMUJFWSA-N 413.521 0.628 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 429202319 KFYKQCYHJNGDMA-UHFFFAOYSA-N 410.544 0.464 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 430392940 KHMGSHYNYCRUFU-PBWTXFEYSA-N 421.517 0.888 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCOCC)CC1 430410372 WEXHKBRZONXKND-ZWKOTPCHSA-N 409.527 0.865 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)s1 435448170 TVDWUHSOKBSOFD-UHFFFAOYSA-N 420.520 0.757 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cn1 436564077 ORGOWIBGVDUXJO-UHFFFAOYSA-N 419.401 0.329 30 20 HCED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](C)CO 443814345 ITAKTOWSMZTLSP-NEPJUHHUSA-N 405.842 0.926 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)N1CCCC[C@H]1C 460726597 MZAZTBAQSWOTRX-ZIAGYGMSSA-N 409.450 0.983 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 461784884 JGBIWOJATUMVLO-AWEZNQCLSA-N 402.436 0.113 30 20 HCED N#Cc1cccc(CCNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 466827603 WIDLYLLQXKOGHQ-SFHVURJKSA-N 406.508 0.937 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 472093632 BYBZZQKAHGSFRF-MRXNPFEDSA-N 407.540 0.634 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 472195576 LDRKEVAIFDGTRG-UHFFFAOYSA-N 404.452 0.293 30 20 HCED CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 472970326 URWRFAIMAZZQSP-SFHVURJKSA-N 423.477 0.834 30 20 HCED CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473938474 FENIOOGOBBPEOW-IBGZPJMESA-N 411.506 0.672 30 20 HCED CNC(=O)[C@@H](C)CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 477284533 WCZBYPBHNARTET-AWEZNQCLSA-N 406.508 0.799 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 479911092 KOBPWASJUNCQTR-GFCCVEGCSA-N 405.436 0.619 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C(=O)C2CC2)CC1 480474963 XIVPLAFEOFVPRY-CYBMUJFWSA-N 404.492 0.742 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)N=c2nc(C3CC3)[nH]o2)CC1 484994230 IHTGQSVZFVLGQF-UHFFFAOYSA-N 416.463 0.186 30 20 HCED COCCO[C@H]1COCC[C@@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 485530261 QDMWJYMTIGAXMW-IRXDYDNUSA-N 411.480 0.115 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2CN(CCC)C3)CC1 491213028 KOQAMNRZHDGWIP-UHFFFAOYSA-N 413.522 0.797 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc2C1=O 500070703 ARJVGFKZXOSCBY-UHFFFAOYSA-N 406.464 0.149 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCO1 503606868 DIVOKTHLKHCJHV-CYBMUJFWSA-N 415.324 0.838 30 20 HCED COc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)C2=O)cc1 504060509 GTXICQVHARDEDW-KRWDZBQOSA-N 424.461 0.970 30 20 HCED COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 504122778 JOPMGZUEAKYGFE-MRXNPFEDSA-N 408.480 0.126 30 20 HCED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 508917355 JFXGWHVYQUUANU-QCODTGAPSA-N 409.512 0.411 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1=O 510171734 CFMYJCKOORBUNL-HNNXBMFYSA-N 415.494 0.399 30 20 HCED N#CCNC(=O)CNS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 511013930 PNPUVJASQUWLQU-UHFFFAOYSA-N 423.632 0.867 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](N4CCOCC4)C[C@@H]3C)CC2)o1 512419619 ASTKNFMCUWVCOK-DOTOQJQBSA-N 402.499 0.298 30 20 HCED Cc1ccc(C(=O)N[C@](C)(C(N)=O)c2ccccc2)cc1S(=O)(=O)NCC#N 532102643 VUJIXBSLPGANOQ-IBGZPJMESA-N 400.460 0.927 30 20 HCED Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c1 535548699 PCZSYVWVWOSSQC-UHFFFAOYSA-N 412.433 0.790 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)ccc1[N+](=O)[O-] 536116890 LPLQHWQWVXLBAY-UHFFFAOYSA-N 400.416 0.145 30 20 HCED N#Cc1ccc(S(=O)(=O)N(CCCN2C(=O)CNC2=O)C[C@@H]2CCCO2)cc1 536149855 IQTQVZBSFIEQQN-HNNXBMFYSA-N 406.464 0.670 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 555732032 CEKKQFDGPZUPBJ-SFHVURJKSA-N 414.510 0.075 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 557147122 ZUVBLAJDVSZJNT-HNNXBMFYSA-N 419.425 0.852 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)CC1 557766124 AYEMTSINLDTBOR-LUKYLMHMSA-N 421.494 0.095 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)C2)c(F)c1 558040517 LIYMUWZITPMJNN-IERDGZPVSA-N 416.453 0.800 30 20 HCED C=CCSCCNC(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 560671547 XWYYWERARAFVAO-AWEZNQCLSA-N 403.512 0.492 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)C1=O 561759415 HWMSWARVNAETEK-GOEBONIOSA-N 414.462 0.162 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)c1 579294528 RFVNBINRGHNHFH-UHFFFAOYSA-N 405.524 0.956 30 20 HCED C=CCSCCNC(=O)C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1 586813233 HELWRDLODGEZOM-AWEZNQCLSA-N 409.512 0.617 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 588055998 OCHPVWPWFXILGP-RTBURBONSA-N 409.490 0.376 30 20 HCED COc1ccc2c(c1)OCC[C@@H]2NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 588347897 VBDYPZAJOBUIEZ-HNNXBMFYSA-N 412.450 0.903 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c(Cl)c1 589157613 HSLMXSOHZPWMKM-UHFFFAOYSA-N 419.890 0.785 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)cc1 589433977 WJUWQKZPWUGEOZ-UHFFFAOYSA-N 402.432 0.730 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 608991016 CBCZYGWDLYCTLP-INIZCTEOSA-N 406.512 0.645 30 20 HCED NC(=O)c1ccn(-c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)n1 726369998 LCTKXJUODRBRLD-UHFFFAOYSA-N 424.442 0.648 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(OC)ccn3)CC2)c1 729423909 JUTJBGMQPGCLKY-UHFFFAOYSA-N 414.487 0.964 30 20 HCED O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCN/C(O)=C1/N=CC=CC1=O 732154487 RCYVFLLYAIKLDU-VLGSPTGOSA-N 401.379 0.357 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1 732561575 QDKAOJPRGLDNHZ-UHFFFAOYSA-N 405.483 0.921 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 733563548 AHCJHWWAXXCLBT-UHFFFAOYSA-N 400.391 0.514 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cn(C)c(=O)n(C)c1=O 735150039 NBTJGEMGNUJLHJ-CYBMUJFWSA-N 414.418 0.585 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C[C@@H]2CCOC2)CC1 736227864 AGVCMWSSKVJQRT-HNNXBMFYSA-N 420.535 0.732 30 20 HCED C[C@H](CC(=O)OCCN1C(=O)NC(C)(C)C1=O)/N=C1/NS(=O)(=O)c2ccccc21 745498364 XDLCQPZCTFAARL-LLVKDONJSA-N 422.463 0.377 30 20 HCED C#CCN1CCC(C(=O)N(CCCOC)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 747626934 AKJCKTMJPVWUSR-UHFFFAOYSA-N 419.526 0.902 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)c1 747978938 WCAUOYHAUVBEQL-MYKQLWFJSA-N 409.468 0.217 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749869560 MDSFNOMADAPLGA-CQSZACIVSA-N 400.504 0.891 30 20 HCED COc1cc(NCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1 752665291 NXYZSFUYDJGRMQ-ISLYRVAYSA-N 403.439 0.941 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 753890279 PLPVJOPGHXRJBW-RBSFLKMASA-N 407.492 0.951 30 20 HCED C#C[C@@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 754366267 HMBLJSAXAOOFNF-INIZCTEOSA-N 421.519 0.686 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)c(F)c2)c1=O 758049792 KXPPPADYFIUZSQ-UHFFFAOYSA-N 419.865 0.601 30 20 HCED C=CCn1c(O)nnc1SCC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 759717551 NIODOCYGOQFYLR-KRWDZBQOSA-N 402.436 0.760 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cncs3)c2=O)CC1 767884863 NRHLDWRTGNUUHE-UHFFFAOYSA-N 415.544 0.415 30 20 HCED C#C[C@@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCCO1 773562461 SXUBYZNGRTUZLB-CVEARBPZSA-N 402.476 0.644 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1)[C@@H]1CCCO1 773800762 VSRBACSIGBRICW-UXHICEINSA-N 412.490 0.586 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 777909596 ZXUOCGIAGSPRHE-CYBMUJFWSA-N 417.409 0.739 30 20 HCED COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1F 780746005 SRENVQGPKAEGBO-UHFFFAOYSA-N 409.399 0.844 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)cc1C#N 782138234 RACKZVWQBWTSDE-GJZGRUSLSA-N 418.406 0.590 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1 783350333 JKZBXAWWFJQUMD-UHFFFAOYSA-N 408.436 0.782 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)cc1 784772161 GBAMUWATYCVLGR-QJIFYWSCSA-N 424.523 0.961 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 786438188 CKWHHYUYEZBJLJ-CEZZIEKDSA-N 421.454 0.902 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 789809889 YHDWZJMELWJZHQ-LSDHHAIUSA-N 420.491 0.942 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 792584663 XVVWTFYJTKQWPD-MRXNPFEDSA-N 401.854 0.989 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 796285671 RJRZYEDVYRXCLT-INIZCTEOSA-N 417.466 0.741 30 20 HCED C#CCC[C@@H](O)CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 798356250 SAACXQRHHYHZPV-GOSISDBHSA-N 409.508 0.422 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)n1cnc(C#N)n1 798837539 XKTCNYUVRJHXCJ-LBPRGKRZSA-N 418.435 0.178 30 20 HCED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 802528961 MEBFYHXFSGHWMZ-UHFFFAOYSA-N 419.511 0.392 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2CCCN(C(C)C)C2)n1 803561916 AMGMLMSZRPPDHO-SFHVURJKSA-N 403.527 0.728 30 20 HCED C#CCN=c1nc(N2CCC(C(=O)OC)CC2)[nH]c(N2CCC(C(=O)OC)CC2)n1 804322028 SUFSFFNYYPRNHZ-UHFFFAOYSA-N 416.482 0.117 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@@H]3COC4(CCCCC4)O3)CC2)c1 806700514 UCQNRHMEYWOSHQ-QGZVFWFLSA-N 413.478 0.794 30 20 HCED C#CC[C@]1(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 808593865 BJINLQWXCSQCCX-JLTOFOAXSA-N 409.483 0.916 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCC 814249053 FXFBKZQZTRIOBV-UHFFFAOYSA-N 409.462 0.811 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 815860973 KOKCGECHDTVYOA-UHFFFAOYSA-N 424.523 0.345 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@H]1CCN(O)C1=O 816692834 WWVFNQCTUAKBEM-INIZCTEOSA-N 421.479 0.175 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 918428440 SFHJCBDYSZFYBE-UHFFFAOYSA-N 408.418 0.370 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1115859908 CVNGENPYLJSWHP-UHFFFAOYSA-N 413.521 0.403 30 20 HCED CC(C)NC1(CO)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1298204021 RWZWUWIGBLYIIU-OAHLLOKOSA-N 408.524 0.577 30 20 HCED Cc1ncnc(O)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1317860927 WPACYESLNULTBI-UHFFFAOYSA-N 415.475 0.828 30 20 HCED 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C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CSC(=N)N)CC2)CC1 1833473490 HEAYBGXUZWOBLF-AWEZNQCLSA-N 411.572 0.776 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834461191 TZLDABBHIYFIMW-ZRHASKPBSA-N 420.491 0.072 30 20 HCED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc1 1835255795 MEQJJGFFNVKRGK-UHFFFAOYSA-N 414.462 0.363 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])o4)C3)C2)CC1 1835339152 HNBAOJHADDEZMI-GOSISDBHSA-N 404.379 0.562 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1837635385 KAKKUYISIZGNGD-UHFFFAOYSA-N 400.439 0.101 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)n[nH]c3C)CCO2)C1 1837801622 YTMCPZDBMGWJGT-OXQOHEQNSA-N 404.467 0.135 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccns4)C3)C2)c1 1838731987 FCTUAAOQPFKISZ-SFHVURJKSA-N 401.448 0.727 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCCn3ccnc3)CC2)CC1 1838774356 ZDNONPHISJMNAE-UHFFFAOYSA-N 416.478 0.750 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838816718 OZJLTXQLMLMOEV-LAUBAEHRSA-N 403.479 0.442 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN(C)C3)CCO2)C1 1839062660 FYTCDKMUQXMGMU-OPYAIIAOSA-N 409.527 0.376 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1839222435 NJKBHEDVKKKGGI-SQGPQFPESA-N 421.498 0.701 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839228810 PKQXMPSZUIQUSU-BAPGRXHISA-N 409.483 0.136 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839878478 AKSPTVSLJXNQSA-QVKFZJNVSA-N 414.462 0.153 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1839889829 RQERONTYPZBPME-VQIMIIECSA-N 415.481 0.996 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840103022 INWXGLJTHAWJMA-QRWLVFNGSA-N 418.519 0.811 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840160154 YFYNSFRRRQIDOL-MLGOLLRUSA-N 402.904 0.311 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(S(C)(=O)=O)c3)C2)C1 1840172058 PBPNQERVIZCGMC-IBGZPJMESA-N 423.491 0.131 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840292845 OZJGUBPVMWRCJN-OAQYLSRUSA-N 400.479 0.669 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840294243 XTHOMWJHGCNCFY-QFIPXVFZSA-N 415.490 0.649 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1840842555 OKJOVMWBRWSUDV-NRFANRHFSA-N 411.462 0.521 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO3)C1 1840850125 MHZMCUBUIJOOSZ-NQIIRXRSSA-N 407.511 0.714 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1841602649 UGBMSVGNJDPMRL-MRXNPFEDSA-N 421.453 0.971 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOC)C2 1844239327 ACVSGVWLPISJDT-QGZVFWFLSA-N 412.527 0.833 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3sccn23)C1 1844624202 XLCFNJBQPMSBPQ-CYBMUJFWSA-N 400.460 0.611 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 53310402 NFMRVMLOLFKSFA-GOSISDBHSA-N 412.494 0.194 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2sccc2C#N)cn1C 110422890 ZXKGTWPCIGAHAU-UHFFFAOYSA-N 411.465 0.512 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 410123053 OFONNKBCFIMBCC-GOSISDBHSA-N 407.540 0.954 30 20 HCED Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 410147111 HREZYXPMRHUYBH-FUHWJXTLSA-N 422.507 0.376 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410201920 YXSNNPASTWBTOV-JKSUJKDBSA-N 423.543 0.208 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 427705831 QNFOKNGGMGSBFA-STQMWFEESA-N 418.450 0.856 30 20 HCED COC(=O)Cn1cc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)nn1 433681148 BWTFOWNKDDQAQR-AWEZNQCLSA-N 415.429 0.930 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 434818087 URAWNOQXKVTPQT-KGLIPLIRSA-N 409.512 0.887 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)CC(=C)C)[C@H](c2cnn(C)c2)C1 435442933 NOMFXKOXAKCZSO-INIZCTEOSA-N 402.542 0.891 30 20 HCED N#Cc1ccnc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1[N+](=O)[O-] 438883626 CWBGBFOXENMBPY-UHFFFAOYSA-N 408.362 0.817 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCOC1 441952825 MZBHGQKAUVIWOQ-HNNXBMFYSA-N 410.499 0.455 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]3C3CCOCC3)n2)cc1 442408913 OZCYYMVHDUEYTM-SFHVURJKSA-N 408.462 1.554 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442519434 YMIAWXJJTOWXCL-SWLSCSKDSA-N 417.853 1.334 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 470750536 DYDAOUMNKZZQAO-IRXDYDNUSA-N 402.476 0.392 30 20 HCED N#Cc1cccc(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 472741495 VHSBQFAXDJRHEC-GOSISDBHSA-N 414.487 0.581 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1Cc1ccon1 479360982 PBEPDLYBAMJOQO-UHFFFAOYSA-N 423.454 0.155 30 20 HCED CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481211958 TZEZUPHELROTAM-BBRMVZONSA-N 424.548 0.899 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1 488819676 PMSPWMWZEYCGMS-INIZCTEOSA-N 406.508 0.673 30 20 HCED Cc1cc(NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)nn1CCC#N 504088170 QJBBSEFYTXHOMN-OAHLLOKOSA-N 408.418 0.974 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC#N)c(Br)c1 511017615 PXSKZDQYBWOSFS-UHFFFAOYSA-N 404.242 0.544 30 20 HCED N#C[C@H]1CN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@@]12C(=O)Nc1ccccc12 511514440 MCBCHFLLQQKLOQ-MKYBRCNWSA-N 422.445 0.562 30 20 HCED CCOC(=O)[C@@]1(COC)CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 517548094 IZWDRUNJXDZMOR-IBGZPJMESA-N 423.491 0.655 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C)c(OC)c2)c1=O 522059046 OWFUDGVBDSPDJP-UHFFFAOYSA-N 415.515 0.903 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 530940524 SECBKGAMUYZSDV-HNNXBMFYSA-N 408.524 0.786 30 20 HCED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(CCC#N)CCN1CCOCC1 531381609 RTQHJVGHWRYVLJ-HXUWFJFHSA-N 414.506 0.661 30 20 HCED Cn1c(=O)c2c(ncn2CCN2CCN(Cc3ccc(C#N)cc3)CC2)n(C)c1=O 532916725 WEAUWAMYCHQBFC-UHFFFAOYSA-N 407.478 0.123 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)n1 539134360 IVGYNJXVKSXSNE-UHFFFAOYSA-N 422.453 0.300 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 543221617 OKWIMRCBDCYAJD-FQEVSTJZSA-N 400.435 0.651 30 20 HCED COC(=O)c1cn(C2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)nn1 544694047 SVGMAATVWIJIKB-KRWDZBQOSA-N 408.418 0.905 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1=O 550902189 MRVUKGJPGXWTEJ-RDJZCZTQSA-N 415.494 0.168 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 552505337 JPFWSRZFXVHNGQ-CQSZACIVSA-N 411.528 0.847 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(=O)N1CCOCC1 553809547 LPAMKMFXHOWREL-SNVBAGLBSA-N 402.270 0.846 30 20 HCED C[C@H](C[S@](C)=O)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 572108411 XCCROFMVZXLZJS-ONSXPEOJSA-N 413.503 0.638 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 577397468 OQEWEHVQCWUOQP-NSHDSACASA-N 410.452 0.666 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)cn1C 580475736 KZMJDTXQWSBZTI-UHFFFAOYSA-N 423.520 0.437 30 20 HCED CCNC(=O)COc1ccc(CNS(=O)(=O)c2cncc(C#N)c2)cc1OC 584749460 UVAMWBPCGFRMOL-UHFFFAOYSA-N 404.448 0.955 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)[C@@H]3CCCCO3)CC2)c1C#N 589131557 IJUCGQHLKBVXQA-KRWDZBQOSA-N 416.526 0.960 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 589301727 SOXJKNJPDIJXBG-UHFFFAOYSA-N 403.439 0.719 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC)c(=O)n1CC=C 603791510 HBEKOWKXARCXMX-UHFFFAOYSA-N 411.483 0.918 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 606031019 ZDTRIKQSVQPJPD-UHFFFAOYSA-N 423.495 0.427 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 610556986 HNHUNBZCFZWGRA-QGZVFWFLSA-N 420.491 0.909 30 20 HCED CC[C@@H](NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C(=O)N1CCOCC1 610641408 KJRFRLOYGVDLDE-QGZVFWFLSA-N 400.483 0.859 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCN2C1=O 617056953 NBFDBIJSWRIPTJ-SJORKVTESA-N 424.461 0.337 30 20 HCED C=CCn1c(COC)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 685534104 QXKFRSFEMKWJOJ-UHFFFAOYSA-N 406.512 0.845 30 20 HCED CN1C(=O)C(=NNC(=S)NCc2ccc(S(N)(=O)=O)cc2)c2ccccc21 726438507 TYHYPYIPNHKGHO-UHFFFAOYSA-N 403.489 0.679 30 20 HCED NC(=O)N1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 733972102 QUNAKLFQEQKFOQ-ZDUSSCGKSA-N 407.496 0.555 30 20 HCED CC1(C)Oc2ccc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2O1 737307039 PYQFUAKKIFWCCO-NXVVXOECSA-N 400.391 0.775 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 747735254 OZYIUBKVTJEVNW-BBWFWOEESA-N 419.547 0.881 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 749633855 SFCPXOFIYXCPKU-UHFFFAOYSA-N 422.445 0.874 30 20 HCED CCOC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 750821331 BUWJFVBGGDKHIG-HXUWFJFHSA-N 413.434 0.626 30 20 HCED CO[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 752128332 PVUDNQOHOOEUQN-XSOQZJFOSA-N 408.480 0.685 30 20 HCED C#CCOCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 753376567 FQJNKLXYSPRNHF-UHFFFAOYSA-N 405.451 0.830 30 20 HCED CS(=O)(=O)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 753745701 XVCSQFZNVPWYDK-UHFFFAOYSA-N 413.521 0.541 30 20 HCED CC[C@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 756194171 FAXYBVHEAAPIKL-PFKVCDDJSA-N 424.523 0.963 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)C(C)(C)C 765534360 JZFZAMWDFGTXMF-GFCCVEGCSA-N 401.510 0.555 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 766974664 GAFQGQULLDCQNE-UHFFFAOYSA-N 413.415 0.570 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1)c1cc[nH]n1 772300374 DYPQMNLTHDQCEM-GFCCVEGCSA-N 408.484 0.329 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 778735984 XKUPYAWVPMJOPK-KRWDZBQOSA-N 406.527 0.917 30 20 HCED 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404.467 0.829 30 20 HCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1 1835743708 VZIRVAMLOWONOB-CYBMUJFWSA-N 415.629 0.360 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)C3=NN(C)C(=O)CC3)CC2)CC1 1837058877 NOCMCYXXFPRZOC-CYBMUJFWSA-N 410.540 0.912 30 20 HCED Cc1nc(C(=O)N2CCC(OC3CCN(C(=O)CC#N)CC3)CC2)c(=O)[nH]c1C 1837265225 FANZBDXQAXWVPL-UHFFFAOYSA-N 401.467 0.913 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837308467 WKUTZWNZAVVZQB-KKSFZXQISA-N 416.478 0.608 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1837398936 LAGQFFLBHWDVLI-FOIQADDNSA-N 407.467 0.626 30 20 HCED CCc1oncc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837568672 OSGMHJBUKWJKTQ-UHFFFAOYSA-N 403.435 0.937 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837693576 WFPIDGOARWJJOM-JTSKRJEESA-N 419.522 0.902 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795147 VYFIWZVWDJTPOE-GOSISDBHSA-N 408.499 0.440 30 20 HCED COc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccn1 1838466137 VHTPOAJGJLHDBA-UHFFFAOYSA-N 415.446 0.790 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838512400 OTNLTMCSXDNTBQ-IERDGZPVSA-N 419.478 0.269 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n(C(F)F)n1 1838715708 CCESWNSDTNOQPM-PXAZEXFGSA-N 418.466 0.975 30 20 HCED Cc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838736003 DMUJWDLFCOOFEM-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)ccc1O)CCO2 1839448997 NEHOHZDVEGTJKT-OAQYLSRUSA-N 402.447 0.971 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1)C(F)(F)F 1839894059 GUNNWKVWLGMCEP-RHSMWYFYSA-N 407.433 0.902 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)C(F)(F)F 1839894694 LVYALZLNVLSGKT-INIZCTEOSA-N 407.389 0.088 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](F)c3ccccc3)C2)C1 1840041158 VSNUBFLBEFNQKM-ICSRJNTNSA-N 404.394 0.242 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840090250 HJIQSOFHIIPUDS-IERDGZPVSA-N 423.510 0.769 30 20 HCED C[C@@H](Cc1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840473354 VOEFHGKUGKTCEV-MGPUTAFESA-N 404.419 0.003 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566306 GSXFOJHGWSZPMP-LAUBAEHRSA-N 411.543 0.356 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840842598 PSRQUEQQFZJDLB-QFIPXVFZSA-N 411.458 0.413 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844594522 FHSKUNWWYNPODZ-CYBMUJFWSA-N 403.439 0.803 30 20 HCED NC(=O)c1nccnc1C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844595922 JPWQPDLJCRBDQP-UHFFFAOYSA-N 411.462 0.091 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2ccccn2)C1 1845769918 NVJHNMPHLWLFDV-DOTOQJQBSA-N 414.506 0.976 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CNC(N)=O)C2)c(C(F)(F)F)n1 1847104453 MABUXPVOVOAKDM-UHFFFAOYSA-N 410.356 0.457 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CSc1ncccn1 1847261355 NRMUOSHPVBMVNQ-VQGNRHNMSA-N 401.492 0.629 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)[C@H]1SC(=N)NC1=O 1847809291 RONUMMUJCGMMCX-ORIJERBGSA-N 408.524 0.973 30 20 HCED N#Cc1ccnc(N2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)c1 24442768 HWVMBNZKGPJBOP-UHFFFAOYSA-N 407.477 0.112 30 20 HCED CNC(=O)c1ccc(CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1 29933147 CWMHDLSJTZGOOQ-UHFFFAOYSA-N 410.478 0.995 30 20 HCED C=CCOc1cccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 56772308 VHTCCLKJFQKFCE-UHFFFAOYSA-N 402.451 0.786 30 20 HCED N#CC1CCN(c2ccc(S(=O)(=O)NCCN3CCOCC3)cc2[N+](=O)[O-])CC1 60874534 CGOCRZMUNSSJSP-UHFFFAOYSA-N 423.495 0.945 30 20 HCED CN(CCc1ccccn1)C(=O)C/N=C1/NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 304990604 CYZQICWWIHAIOP-QGZVFWFLSA-N 416.526 0.963 30 20 HCED Cn1c(=O)c2cc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cnc2n(C)c1=O 432651798 CIGHHQYCTJBBJR-AWEZNQCLSA-N 421.417 0.584 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 443076361 KBYVJJJIALJXLI-AWEZNQCLSA-N 405.473 0.464 30 20 HCED Cc1cc(C(=O)NC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c(C)o1 444509252 UXONWDDIKWFGGD-UHFFFAOYSA-N 412.450 1.366 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccncc4)c3)CC2)c1 448481972 SFFWNNDKNMYHQT-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)cc1 463364346 GFWWTSULROXJEI-VURPSTOHSA-N 422.485 0.755 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)N=c3ccn(CCN4CCOCC4)[nH]3)[nH]2)c(F)c1 470423880 BZJJNFKTRUQXJU-UHFFFAOYSA-N 424.440 0.900 30 20 HCED CCC1(CC)NC(=O)N(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 471707316 VJPYHJGKKJINME-UHFFFAOYSA-N 401.471 0.359 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1 475459894 DXUOLPICLIRFQP-AWEZNQCLSA-N 401.423 0.585 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 482203495 CKCQEIIMTCDOMX-CWRNSKLLSA-N 406.508 0.988 30 20 HCED C[C@@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[S@@](C)=O 482920912 XDURYRYDKDQQML-RMKBEBRYSA-N 412.537 0.731 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 484374458 MSUYEKJWCNQWBC-SFHVURJKSA-N 400.479 0.955 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cnnc3[C@@H]2C)cc1 484448712 SPQFRAZPNSXWQS-ZDUSSCGKSA-N 418.479 0.627 30 20 HCED CCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 488262608 KEZROAHHYDCUBF-SJORKVTESA-N 404.492 0.878 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CCOC)CC2)cc1 491210977 AVJHFPLKJOTRNW-UHFFFAOYSA-N 424.523 0.222 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2)cn1 497699598 JAJXWEMIIVBNAG-KRWDZBQOSA-N 422.493 0.121 30 20 HCED C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CC1 499327853 PPFJQADUXCCDJE-CYBMUJFWSA-N 413.521 0.916 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 499675988 MBNAODMJQAIAGG-JTQLQIEISA-N 412.896 0.683 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CC(C)C)c1=O 505696088 YNKMRLVBGLMDGP-AWEZNQCLSA-N 400.504 0.716 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 512254134 TUFPRJWTCHITKS-CRAIPNDOSA-N 421.519 0.863 30 20 HCED N#Cc1cc(Br)ccc1CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 516987566 AUYSXMKDALUHAE-JKSUJKDBSA-N 414.325 0.908 30 20 HCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 524281078 FLNZBKMMVOADQJ-UHFFFAOYSA-N 408.414 0.315 30 20 HCED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 527357480 QBGUKKOBQWJQHD-HIFRSBDPSA-N 402.451 0.895 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccccc3O)CC2)C1=O 534022916 MAIZJPLZWNFICY-UHFFFAOYSA-N 414.418 0.546 30 20 HCED C=CCCOCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 536061298 JXGBFSIBLZQFKG-UHFFFAOYSA-N 409.508 0.862 30 20 HCED Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CCO2)n1 537000744 QKPGHIUGKUOZSE-HNNXBMFYSA-N 400.443 0.410 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)n1 539170510 UPLZZXZGTKNHMQ-UHFFFAOYSA-N 400.414 0.888 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 539942906 ZKUXGVZKCUQWKK-UHFFFAOYSA-N 400.416 0.262 30 20 HCED C=CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@@H](C)c1cccc(-n2cnnn2)c1 540066646 SDIAQVRRTDSFPL-ZDUSSCGKSA-N 421.465 0.685 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(CC(C)C)CC3)CC2)c1C#N 550284510 SYFRCGYGCKBEET-UHFFFAOYSA-N 415.542 0.485 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4ccncc4c3=O)CC2)cc1 553268161 ARXAWCAZGQVHEB-UHFFFAOYSA-N 423.454 0.941 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)C2=O)cc1 554694484 KKLAJHSOQLFWKN-ZSYWTGECSA-N 410.474 0.849 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Br)c(C3CC3)n2)n1 556230581 QMTRAZVLQXCVSU-UHFFFAOYSA-N 404.228 0.940 30 20 HCED CNCCCc1n[nH]c(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1C#N 556272303 BOVTVMLCOHDRFK-UHFFFAOYSA-N 410.525 0.839 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncnn1CC(F)F 558980478 ZSGHBEBMIKMOBD-LLVKDONJSA-N 418.474 0.957 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 559687113 WZOPPYRWWYWJFR-UHFFFAOYSA-N 402.495 0.536 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cn2n1 562128983 IYQXNLYXPQIQRW-LBPRGKRZSA-N 405.422 0.375 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)C2)nc1 581167589 IBLPBPUPSLKOIM-CYBMUJFWSA-N 408.461 0.443 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OC 581981601 JAKMUCKHBPIHID-CYBMUJFWSA-N 402.407 0.386 30 20 HCED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)cc1 588127437 HMYWQJJDIDJALW-GOSISDBHSA-N 413.478 0.016 30 20 HCED COCC[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(C)o1 589183735 DXEDSTBALHHOJO-OAHLLOKOSA-N 402.455 1.050 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(=O)n(C)c1=O 609198043 IBZYAUZPWFJYDJ-UHFFFAOYSA-N 404.448 0.188 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCO[C@H](C#N)C2)c1 609269371 ZJCUJUIRANRZHN-CQSZACIVSA-N 408.480 0.138 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@H]3CCC[C@H]3O)CC2)CC1 611429603 XJTVOSXUBQPUMS-IPMKNSEASA-N 417.579 0.988 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)C1=O 623497918 ZFCPOUMGZYZTIP-UHFFFAOYSA-N 413.434 0.304 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c1=O 671654185 ZWBWDKOCXNGRPX-UHFFFAOYSA-N 415.519 0.158 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003401 NCIPVIGELFERNP-SJORKVTESA-N 415.446 0.306 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(NC(C)=O)cc2)C1=O 726043225 SREFNPGZHCPMHN-LLVKDONJSA-N 401.375 0.736 30 20 HCED Cn1c(C=NNc2ccc(S(=O)(=O)C(F)F)cc2)nc2c1c(O)nc(=O)n2C 726425064 XDWILDHIDAWYRM-UHFFFAOYSA-N 412.378 0.815 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(C)CCCOc2ccc(F)cc2)CC1 728571177 XKTMJNKQKBLDEW-UHFFFAOYSA-N 404.486 0.420 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2C)CC1 728866870 VXSQWZZXUVYHGM-UHFFFAOYSA-N 400.870 0.736 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 730073704 ROGKBBDTVRDDBO-IKBYJFNHSA-N 419.463 0.189 30 20 HCED COC(=O)C1=C(C(C)=O)[C@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)NC(=S)N1 731594918 OTGUGVANVLLMPX-ZDUSSCGKSA-N 409.376 0.593 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)ccc2c1=O 740745479 ZZMQRPVRMINBNC-LBPRGKRZSA-N 408.505 0.764 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 745028761 KUVICZIHKRQGIJ-GHMZBOCLSA-N 408.367 0.736 30 20 HCED N#Cc1ccc(CC(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 750246768 SJNHGOJVDCUKLQ-QZTJIDSGSA-N 420.487 0.839 30 20 HCED C=CCc1cc(OC)cc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1O 754723728 TUUTYYBCVHHVSN-UHFFFAOYSA-N 401.463 0.923 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 755494858 WLNBGMJRPUJVFN-SECBINFHSA-N 410.370 0.980 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(F)c1F 756170733 VAHPVQXAUGCWSA-CCEZHUSRSA-N 415.374 0.556 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccn(CC(F)(F)F)c1=O 757260709 HJCVSWATQYPPBE-UHFFFAOYSA-N 408.340 0.844 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 757594783 RXQVZLPPPTUKIY-AAEUAGOBSA-N 412.443 0.962 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 757898351 OOASEXSPYIHLEG-GFCCVEGCSA-N 412.468 0.945 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc(-n3cccn3)c2)c1=O 760374803 AFWTWGVROFNCIN-UHFFFAOYSA-N 404.455 0.210 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)CC1 761033194 UDOBVPAQLDSEHP-HOTGVXAUSA-N 410.565 0.885 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCOC)c2=O)cn1 772276230 BLIXHYGBURTZCX-UHFFFAOYSA-N 422.470 0.390 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)s1 772543044 PKRNLEYDRMJVBC-UHFFFAOYSA-N 422.488 0.992 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)nc1 774843717 XELWWBQHIRLSRS-UHFFFAOYSA-N 414.510 0.633 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 780047750 NAXBRFJWOIHBDC-CQSZACIVSA-N 422.445 0.759 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 783480348 PYFJIPDDJWZXQD-CQSZACIVSA-N 404.423 0.599 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c1C#N 788340068 RXSOQNXWTCHWQR-UHFFFAOYSA-N 419.449 0.468 30 20 HCED C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 788343367 IVMNAHKIBNNHMA-KRPFGXRZSA-N 408.480 0.420 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 789359778 ZWRYYOHFPWKSQB-SFHVURJKSA-N 404.536 0.802 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc([S@@](C)=O)c2)n1 789788661 LJYAVHHBKRMIKX-MUUNZHRXSA-N 402.476 0.867 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(CN2CCOCC2)CC1)c1cc[nH]n1 789956522 GWRIQJPKLCDMIJ-UHFFFAOYSA-N 407.471 0.264 30 20 HCED CC(C)(C#N)CS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 790008179 HPPRHFVJQIUWIP-UHFFFAOYSA-N 415.493 0.828 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCOC)c2=O)cn1 794583236 YTEZAGAFFPEVBD-HNNXBMFYSA-N 416.503 0.271 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)C[C@H](CC#N)c2ccccc2)CC1 795984013 RAKDGWVUMUXRTJ-SFHVURJKSA-N 400.479 0.850 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 805335578 QPAINYILGVFYTB-UHFFFAOYSA-N 404.404 0.459 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 809815118 QNEAGGGZKWANHC-UHFFFAOYSA-N 418.834 0.443 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 810779696 XWOYLWZZLSJSGH-UHFFFAOYSA-N 423.310 0.782 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)CC1 813661029 YCKQXKMGVXSLFK-UHFFFAOYSA-N 408.476 0.770 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1 813713444 JMDGETZOPLSPHV-RDBSUJKOSA-N 400.501 0.822 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 815861585 OWQGZPWNSHOOIB-UHFFFAOYSA-N 420.535 0.871 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN(C)C(=O)[C@@H](C)n2cccn2)cc1 815913302 NZYSJMGMUFQEMA-QAPCUYQASA-N 411.462 0.979 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)cc1 920000751 GYQXSXICTAWBNN-RDJZCZTQSA-N 421.519 0.601 30 20 HCED COCCOc1ncccc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 920750501 ZKFJXGONYFDZPC-UHFFFAOYSA-N 418.475 0.852 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1115817489 HAKDEMCACZZDRX-OAHLLOKOSA-N 406.508 0.540 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1cnc(C#N)cc1=O 1189601761 RPKCYRNFNGFAHT-UHFFFAOYSA-N 401.448 0.345 30 20 HCED CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1288001944 KSGJPKLXLSGSKY-UHFFFAOYSA-N 417.539 0.896 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@@H]1C 1288870074 MJBIDTOIMRGAMS-KKUMJFAQSA-N 411.532 0.101 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1299207685 VCSRTGYCLBTBRR-UHFFFAOYSA-N 416.507 0.966 30 20 HCED CCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1313884668 RFZNKCXITBWMSF-JKIFEVAISA-N 413.523 0.672 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C(F)F 1317922204 MPICDMNIUNUSCH-JTQLQIEISA-N 409.436 0.953 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)CC2)nc1 1317948549 NNVZQDSHLYOVSM-UHFFFAOYSA-N 418.465 0.351 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)C[C@@]3(OC(C)C)CCOC3)CC2)c1C#N 1463530490 YMHPQRSKGJBUSB-GOSISDBHSA-N 411.528 0.636 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1616213606 KCBRGKMMQCBTFO-RBUKOAKNSA-N 406.462 0.898 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC#N)CC1 1617391082 RLLXUUNRRWLXMX-UHFFFAOYSA-N 406.516 0.748 30 20 HCED N#Cc1cn(CCC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c(=O)nc1O 1638597401 LEVQYLJVMZZKIV-SFHVURJKSA-N 411.462 0.618 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3COC(=O)N[C@@H]3C2)CC1 1654121825 MSIISEROJGXYQQ-QXAKKESOSA-N 415.469 0.965 30 20 HCED CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C#N)nc2)CC1 1656957509 VCSKOPQIXNBOPK-LJQANCHMSA-N 413.503 0.617 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1-n1cccn1 1692544084 MASRIARQFLSCAF-MRXNPFEDSA-N 421.465 0.774 30 20 HCED Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1693192125 ZAWBYJLJHQFTBE-ZWKOTPCHSA-N 420.470 0.640 30 20 HCED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1696940771 MNUUUOMYKLAZGJ-LAUBAEHRSA-N 410.478 0.931 30 20 HCED C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1706753692 IYKCOSUHTKTPDT-ZDUSSCGKSA-N 419.511 0.408 30 20 HCED CCN(C)C(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1745887744 QTPXGYJPJIIXHD-YOEHRIQHSA-N 412.450 0.998 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749269074 MKDBHOFJYMLZAF-NWDGAFQWSA-N 400.892 0.147 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020972 YEZVTBCOEUEAAA-PIUNUONSSA-N 415.494 0.509 30 20 HCED N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccn1 1779137491 ORQCEHLVSDKKHW-CMEFWWCBSA-N 411.462 0.623 30 20 HCED 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C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CN)c1ccccc1 1795674090 PVBULBHDUKNJPM-USYVTKNRSA-N 415.534 0.892 30 20 HCED O=C(Cn1ccnn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1795890298 VUQPSTVNNSXOOJ-CWPLJXCYSA-N 413.865 0.573 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1797649990 CODCHRARWGTADI-CWQOZTLDSA-N 410.536 0.922 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(=O)Nc2cccnc2)c1 1797889174 YLSYMMRNAHFGEC-XOIINTDNSA-N 408.418 0.123 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1798331699 XXMAIPFAGYAZFE-XGUBFFRZSA-N 411.466 0.833 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cccn1)C2 1799390542 YHXWLBXECBAOAV-TXTZMMAHSA-N 405.499 0.910 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(O)cn1)C2 1799396072 OQGBFRBCFSDMPB-BKEDOTJMSA-N 404.467 0.720 30 20 HCED 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C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836301363 BSNNDGAGAJETHN-OXQOHEQNSA-N 403.483 0.952 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1836864420 GCJRFBLDSZDBAT-QAPCUYQASA-N 424.542 0.169 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1837311890 OWDTWPSRUDKLAJ-BLIXFSHQSA-N 407.511 0.736 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837524930 JMWURHSIYYNBGQ-XTSMJKTBSA-N 421.494 0.938 30 20 HCED CC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837526801 GPBJWBLLBVBILP-LDSVYWLUSA-N 419.425 0.627 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837772156 NELRPWURSHXORB-IBGZPJMESA-N 411.405 0.890 30 20 HCED CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1837813526 DKIPQNNAZNAAIX-UHFFFAOYSA-N 401.467 0.587 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnc5c4OCO5)CCO3)C2)CC1 1838475782 ZEJNDKDWOZCUDM-FQEVSTJZSA-N 414.418 0.184 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCC=CO4)C3)C2)c1 1838738053 ODXZYTKGSXLIJN-PXNSSMCTSA-N 400.435 0.649 30 20 HCED C=C(C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1)C(F)(F)F 1838757731 JYZSTIZQTZJMTB-UHFFFAOYSA-N 406.405 0.772 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)cc1 1838949947 GBBKWQTWJQSKIV-HXUWFJFHSA-N 411.418 0.371 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1839224466 UFDYALXHIAAZHC-HNAYVOBHSA-N 407.471 0.291 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756849 WJPAUIMUOUIGRG-HXUWFJFHSA-N 408.470 0.644 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 1839809348 LSVNBUFKBSPOIU-LJQANCHMSA-N 413.390 0.174 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1840293402 AEUMUDLBUTXLJA-DYESRHJHSA-N 405.495 0.327 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840356760 BXCCQBOKTKOJCY-FUHWJXTLSA-N 411.528 0.079 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(C)on1)CCO2 1840365735 MJRXCEQACMEOBG-OAQYLSRUSA-N 421.494 0.965 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3CC3)CCO4)c2c1 1840637572 CYERVPNMARSXBB-OAQYLSRUSA-N 409.446 0.915 30 20 HCED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)C(=O)O 1840838401 FEBGWVKPKREGIY-WHIQYKQFSA-N 413.430 0.659 30 20 HCED C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841298079 SSQZUUJVNPARGW-AWEZNQCLSA-N 413.540 0.995 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)n3)C2)ccc1F 1843358433 QZDPUEXTUSHRFS-UHFFFAOYSA-N 411.393 0.958 30 20 HCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846256461 FNFWPPXCBQVVER-UHFFFAOYSA-N 409.483 0.190 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2sccn12 1847805227 RDTDFMPOFAJNSV-IHRRRGAJSA-N 400.460 0.610 30 20 HCED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C2=O 15151517 YCVZXGCRZNNHTQ-LIRRHRJNSA-N 403.439 0.686 30 20 HCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 52894625 MUVHCUULOJUAMT-UHFFFAOYSA-N 408.509 0.484 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 108938534 BEANUACATUQKSM-BEFAXECRSA-N 423.466 0.794 30 20 HCED N#Cc1c(CCC/N=C(/N)NCCCN2CCOCC2)nn(-c2ccccc2)c1N 303977029 KRXGFOVRWFJNLR-UHFFFAOYSA-N 410.526 0.885 30 20 HCED COc1ccc([C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)N2CCOCC2)cc1 409518687 GHLHAJHNPMSIQP-QZTJIDSGSA-N 410.496 0.127 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 410153409 YUZJZMOHBJFHOB-KBXCAEBGSA-N 422.507 0.743 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 428237108 IGWUNCWSMREULF-UHFFFAOYSA-N 421.523 0.192 30 20 HCED CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 434970910 FPGRJWTVRUINDH-UHFFFAOYSA-N 415.418 0.916 30 20 HCED C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 437416814 FVIAKAXBFKLHAT-WMLDXEAASA-N 400.435 0.257 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)C1=O 440253974 JBQRUGLFSZBOFC-ZDUSSCGKSA-N 403.391 0.386 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCOC)C2)cc1 441996591 CEUXPIWZXCMQPP-MRXNPFEDSA-N 424.523 0.269 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 442281743 ATXPSYGFMOTUKM-UHFFFAOYSA-N 415.494 0.861 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 446483534 CPUHHBVLLCUPOE-CYBMUJFWSA-N 413.521 0.651 30 20 HCED C=C[C@H](CO)NC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 460354105 RRLGPZSHJZNMIL-LJQANCHMSA-N 404.511 0.618 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 460603157 VMPMFOBEGXBKRP-UHFFFAOYSA-N 417.429 1.062 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 462098546 UTOQXCQKEDJDHQ-UHFFFAOYSA-N 405.422 1.062 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 473379938 OKHLNFGEHXHUIO-FGTMMUONSA-N 404.442 0.143 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 473492290 SXLMANDPHKPVOH-QZTJIDSGSA-N 418.519 0.837 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CCC 480180364 JEIYNDUTWRCNKK-UHFFFAOYSA-N 411.483 0.896 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 480799706 BNMDQYIYPICIOL-LBPRGKRZSA-N 422.492 0.046 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 482195175 ZWZWBLPNRCMPIY-RWMBFGLXSA-N 401.510 0.505 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C(=O)OC)cc1OC 484786662 PAXKSXPVINNQFJ-JTQLQIEISA-N 409.507 0.907 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCC(=O)N=c3cc[nH]cc3)C2=O)cc1 505424455 ZTXSDWQRKICFEN-QGZVFWFLSA-N 420.429 0.725 30 20 HCED N#CCC1(O)CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 506376496 DZKHDFKLPXHAPC-HXUWFJFHSA-N 418.453 0.987 30 20 HCED C=CCn1c(CC2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 509009323 ALXSLPRFXGDJFZ-UHFFFAOYSA-N 414.514 0.663 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc4c(n3)CCCC4)CC2)c1C#N 512493947 LTERZRNAYIZZEH-UHFFFAOYSA-N 421.505 0.839 30 20 HCED COCCNC(=O)CN1CCN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 513048686 DUKJHCIJRLTIMD-UHFFFAOYSA-N 403.483 0.115 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCOc2ccc(S(C)(=O)=O)cc2)c1=O 525109892 WGDBVGFDTOOUJX-UHFFFAOYSA-N 407.448 0.026 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)cc1OC 527441125 DGPPNXRSWVXGQN-VDERGJSUSA-N 415.402 0.457 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 537520591 ZXQRDWRUVUTWLN-UHFFFAOYSA-N 403.483 0.784 30 20 HCED CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542293371 MFDRIDMTCJDJOH-MRXNPFEDSA-N 404.467 0.437 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC(O)CC1 544159648 KOEYJENYOMSVBP-UHFFFAOYSA-N 404.467 0.485 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 548617814 RQWVKPAZLRYSGC-LBPRGKRZSA-N 417.874 0.157 30 20 HCED Cn1c(=O)oc2cc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)ccc21 548697799 XKYDFKCWJRVNJR-UHFFFAOYSA-N 404.408 0.364 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1c(C)cccc1C 552006591 NDFJYRGGEMWLAJ-UHFFFAOYSA-N 407.499 0.807 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 552222971 RRLMKRMXLWMSQP-DZGCQCFKSA-N 414.491 1.003 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 554434079 CGDKLZFKEGXRBX-INIZCTEOSA-N 417.897 0.986 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCN3CCSCC3)C2)c(F)c1 564112296 ABMFHKZXZJSPPC-INIZCTEOSA-N 419.526 0.947 30 20 HCED CN(CC(=O)NCc1cccs1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 570132889 FABJWEXYZMWGRC-UHFFFAOYSA-N 406.489 0.673 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 575076064 AUFIHORQNHTARL-UHFFFAOYSA-N 406.442 0.963 30 20 HCED CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 576078578 GOHXUBZYNZXWMK-CYBMUJFWSA-N 416.463 0.503 30 20 HCED N#CC1CCN(C(=O)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 581158123 KPPAAILPCNJKCH-OALUTQOASA-N 409.490 0.464 30 20 HCED COCCCOCCN(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 583521020 PDRSDVZPRACVKY-UHFFFAOYSA-N 403.414 1.333 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587667177 YVSVLMFZVSRQCA-IAGOWNOFSA-N 401.467 0.348 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)NCCCN2CCCC2=O)CC1 603590542 VOOCENGPFWUDQX-UHFFFAOYSA-N 400.483 0.674 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC2(C#N)CCN(C)CC2)cc1 603884826 QOJZLIGPYNRVJV-UHFFFAOYSA-N 407.496 0.370 30 20 HCED Cc1c(NC(=O)C(=O)NC2CCN(CC#N)CC2)cccc1S(=O)(=O)NC1CC1 610149023 LGXDPBCRBOJSNM-UHFFFAOYSA-N 419.507 0.478 30 20 HCED C[C@@H]1CC(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 610242174 RKNWMVXJDXREND-CQSZACIVSA-N 404.492 0.696 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1F 731890162 SBZVCHAXMXSJLH-VLGSPTGOSA-N 422.438 0.546 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 732466620 PXMSNEKZBJHEJR-VXPUYCOJSA-N 411.462 0.609 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC 732797477 PRRRPOJQRWTSCB-UHFFFAOYSA-N 417.535 0.753 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CC1CC1 733702430 QTJYIWFAILGTMJ-AWEZNQCLSA-N 413.521 0.996 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sc(C)nc2C)c1=O 736586851 JCMPCFDRVKCPND-UHFFFAOYSA-N 416.528 0.531 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(N3CCOC3=O)cc2)c1=O 741477047 YXABEWCRBUVLTL-UHFFFAOYSA-N 412.402 0.383 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCN(CC#N)C3)C2=O)cc1 742183080 APQIDCLVVDMFSC-QVKFZJNVSA-N 413.478 0.814 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 742908095 SXZNKIWQFZSUMC-GUYCJALGSA-N 415.475 0.255 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 744026891 ATUNASHBGGYXLW-AWEZNQCLSA-N 406.464 0.319 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)N1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 744060392 ZERBCNNLJRQPBQ-GFCCVEGCSA-N 414.509 0.351 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 746201371 JNVBSOQJZJPZPE-FMQUCBEESA-N 408.418 0.844 30 20 HCED CC(C)(C)c1nc(CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)no1 746279341 ZUMCMLPAFJDRFA-ISLYRVAYSA-N 416.482 0.928 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)cc1 746553368 BOOVIHDHFQSWDK-SFHVURJKSA-N 405.414 0.838 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(S(=O)(=O)CC)CC3)ccc2c1=O 748098495 ZGGPTMYKDJYKQL-UHFFFAOYSA-N 422.532 0.979 30 20 HCED CCn1c(=O)c(C(=O)COC(=O)c2cc(C#N)c[nH]2)c(N)n(Cc2ccccc2)c1=O 748227538 QNUKHPDXAYVONO-UHFFFAOYSA-N 421.413 0.900 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(CCC#N)n1 755546550 MGTLSXQLHLCXNF-ZIAGYGMSSA-N 415.454 0.919 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)c1 763327534 ZNKKXOAYAZXLLR-UHFFFAOYSA-N 421.500 0.504 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCC(=O)OC 763447480 VKPPWSPEQQCOOX-UHFFFAOYSA-N 416.503 0.231 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(CC(N)=O)c2=O)c1 763461091 XGLBSXQYRYRNDV-UHFFFAOYSA-N 410.430 0.259 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O)[C@@H]1CCS(=O)(=O)C1 783482223 WSVUGRHOZCWYGU-QGZVFWFLSA-N 417.487 0.573 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 784930442 XSBGOIWBKQEQLQ-UHFFFAOYSA-N 405.476 0.759 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1)c1cc[nH]n1 787589961 LXKMKFYODRZKCW-CQSZACIVSA-N 420.470 0.298 30 20 HCED C#CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cn1 788211257 DFQRSMUMRNICDF-UHFFFAOYSA-N 418.475 0.476 30 20 HCED C#CCn1ccc(CN(CC)C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)n1 788827103 QBERXTHWZRSITC-UHFFFAOYSA-N 403.483 0.944 30 20 HCED CNC(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 789095015 ZPWXVUYLEHZYBK-UHFFFAOYSA-N 401.379 0.134 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)c2ccoc2)CC1)c1cc[nH]n1 789952552 CLMZOFWVOCNUNT-UHFFFAOYSA-N 417.422 0.708 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)c(OC)c(C)c1OC)[C@@H]1CCS(=O)(=O)C1 797055346 UDIVMJGWHIEYFN-CYBMUJFWSA-N 424.475 0.608 30 20 HCED COc1ccc(CC(=O)OCCO[C@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 801805418 YOCLRTHIAVMTAH-CQSZACIVSA-N 412.464 0.730 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CCCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 805251789 MMMJYRYINQQKRF-OLZOCXBDSA-N 413.521 0.445 30 20 HCED C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 805969131 WIRJKGARSIAETR-APWZRJJASA-N 400.479 0.907 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 807534661 KQIQRBJOCIRCHY-INIZCTEOSA-N 407.492 0.810 30 20 HCED C[C@H](OC(=O)c1cc(O)cc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 811184209 IXWFVGXTSFPSHD-LBPRGKRZSA-N 417.443 0.815 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](n2cc(CO)nn2)C1 818155260 GJJBDYSBGAMMNF-CQSZACIVSA-N 418.479 0.063 30 20 HCED CCN1CCN(Cc2ccc(CN/C(=N/C)NCCN3CCOCC3)cc2)CC1 849060849 SLWGELGKTJBHAE-UHFFFAOYSA-N 402.587 0.821 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 852292703 HHTUIAVUJUFWLS-KFWWJZLASA-N 408.476 0.779 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)NCC(=O)OC)ccc1F 914657294 HDPFWCKNABPTKK-SNVBAGLBSA-N 402.400 0.125 30 20 HCED CC(C)NC(=O)[C@@H](C#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 916947181 VZCFUYQZSKDANP-KRWDZBQOSA-N 407.492 0.874 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 917855836 DZYKUJNDIQOCEN-IAGOWNOFSA-N 406.460 0.910 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 919253216 XQIWYTSBSHROPY-CVEARBPZSA-N 424.523 0.923 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CNC1=O 1000643363 WMJITJPXRKHMGZ-ZVZLPEGASA-N 404.467 0.158 30 20 HCED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C 1110680304 OXSJYXDWWCWGLK-ZQOJQMTGSA-N 401.511 0.912 30 20 HCED CC(C)c1ncc(Br)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)n1 1148393248 UFXUCZWYYKLNKT-UHFFFAOYSA-N 407.228 0.926 30 20 HCED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1197330457 XUJYABWOUYJPKP-JTQLQIEISA-N 408.299 0.633 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1316532871 XHIAUZGEXXWBGH-QZTJIDSGSA-N 420.470 0.255 30 20 HCED C=CC[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1320437035 QTCAZGUEYQMDSH-LBPRGKRZSA-N 403.439 0.615 30 20 HCED Cc1c(NC(=O)[C@@H](C#N)C(=O)CCN2C(=O)CCC2=O)c(=O)n(-c2ccccc2)n1C 1347063387 JQUXPORKRCLRQY-HNNXBMFYSA-N 423.429 0.671 30 20 HCED CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1454634034 XHGVHOCQWJWYNA-AWEZNQCLSA-N 419.486 0.608 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1463867626 OEPGIJQCWVEAPD-QWHCGFSZSA-N 409.530 0.153 30 20 HCED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1504410423 KQMSHLYWMDAOGK-DYESRHJHSA-N 412.494 0.673 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)C1 1521057108 XCENZCHNBIJXOA-RDTXWAMCSA-N 424.502 0.923 30 20 HCED Cn1ccnc1C(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1524703155 ARNPIGQMQZLEQV-OAHLLOKOSA-N 401.448 0.808 30 20 HCED COC(=O)c1cn(CCNC(=O)COc2cccc(Br)c2C#N)nn1 1525682484 PMPUNEZWILNCPX-UHFFFAOYSA-N 408.212 0.894 30 20 HCED C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1541994254 PQLGMNWEHWDOSB-SFHVURJKSA-N 402.480 0.563 30 20 HCED Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cn1 1618392028 XYESWTNTJOIAEV-QGZVFWFLSA-N 407.475 0.945 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 1641665225 YUIQEUMUIFGCJI-QLPKVWCKSA-N 420.491 0.818 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc([C@H]2CCCO2)n[nH]1 1643848368 IZJJLQHCILWQSW-GFCCVEGCSA-N 404.452 0.401 30 20 HCED CN1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1696878543 UBUVYUGDYNNBKE-BIZBXSGISA-N 418.542 0.992 30 20 HCED CC(C)NS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761269763 DEMZEFKTOGRRIO-INIZCTEOSA-N 407.544 0.660 30 20 HCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC#N)C2)[C@H]1SC(=N)NC1=O 1778081172 NKLRSXRYOVAQSW-LZDVPDMXSA-N 407.496 0.216 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1778966698 APUYUMFCSJSNBJ-YWZLYKJASA-N 406.483 0.757 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4ncccc34)CCO2)C1 1778971937 RKKUDSBYTBCORU-UTKZUKDTSA-N 413.478 0.746 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)c1 1780168502 HXEXBSXKZCJNKX-HXUWFJFHSA-N 411.418 0.753 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1780332014 INBQEAMIIKTJHN-GOSISDBHSA-N 413.394 0.135 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1782752185 FQECJCFSEJZOBS-KKSFZXQISA-N 408.462 0.783 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cccn3)C[C@@H]21 1783533348 WYJUULFVHXRNJH-BJMLIQPHSA-N 415.494 0.282 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1783563365 PGZYKAQJLZWVMI-LJQANCHMSA-N 416.821 0.748 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H]4CCC(=O)NC4)[C@H]3C2)c1 1783631336 PHMWTNQHJHMAAW-ZULIPRJHSA-N 424.501 0.986 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCCCCC(=O)OC)C2)C1 1784044616 WIACBIQFBPAWCS-UWJYYQICSA-N 408.495 0.978 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1784503284 VDSGBGXKVFCDKG-CVYDXHPNSA-N 419.478 0.580 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1784508967 GHLJYOUTLINEAQ-GCJKJVERSA-N 418.538 0.982 30 20 HCED C=CCC(CC=C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H]3NC(=O)NC3=O)[C@H]2C1 1785149476 MAWJPFPXZNBCNG-QAETUUGQSA-N 418.494 0.333 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1785445090 ZJQCZPXNMAZWLO-FAKCTINISA-N 418.494 0.833 30 20 HCED COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]32)cn1 1786243082 NOQVZKNODNSOQH-AESZEHBQSA-N 419.482 0.879 30 20 HCED Cn1c(=O)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)nc2ccccc21 1786367408 KYCNADUMGOUCTC-ZQIUZPCESA-N 409.446 0.440 30 20 HCED C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1786785481 XCBYPOJGCCMDHU-GKEYINFOSA-N 410.478 0.623 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)c3ccco3)C[C@@H]21 1788570788 RHHIAYQFXVCZFF-YECZKDOJSA-N 406.479 0.866 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CCC)[C@H]2C1 1788743407 ULWAJDLBHWNWRR-KFGODFMUSA-N 423.554 0.844 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc5snnc5c4)[C@H]3C2)CC1 1789202375 IOMPMZGFCPOMBO-WHOFXGATSA-N 412.475 0.983 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#C)[C@H]2C1 1790794641 YXNAYTFQXUFWKQ-NXOAAHMSSA-N 403.479 0.516 30 20 HCED COc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1C 1791079496 OTUOGXAXLYYJOZ-ZVZYQTTQSA-N 400.431 0.685 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)C2 1792629540 YLNMHGRNNZWWNA-OAFZBRQQSA-N 416.522 0.917 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)cn1)C2 1793340268 CXEJLMCBVQYLNF-OAFZBRQQSA-N 400.479 0.389 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](S)C(C)C 1793606147 DVDVBCPJLLRNBI-RMEBNNNOSA-N 405.586 0.907 30 20 HCED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1794571134 URFAWRAYBILFTH-JLVBRIDZSA-N 412.425 0.272 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795279558 FPJWOSXBFBBWGQ-IIZPIQPGSA-N 411.502 0.933 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2c(=O)oc4ccccc42)C3)CC1 1795407937 ILGSGVUCNOOEJG-CCWDJLKJSA-N 424.457 0.878 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)Cn3cccn3)c2c1 1795870331 IVPRYWYWPCKGJL-CCWDJLKJSA-N 419.445 0.534 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)N1C[C@@H]2C[C@H]2C1 1797636016 UHTVEQDUENOUMI-VERVFDAOSA-N 414.506 0.628 30 20 HCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cncnc2)C3)ccc1F 1799323029 OBEXYQNPHBHRJA-OPMZPASUSA-N 423.448 0.862 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]cc1[N+](=O)[O-])C2 1799394495 IXBVIHGRHDMEPX-NRWUCQMLSA-N 408.415 0.322 30 20 HCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCS(=O)(=O)c1ccccc1)C2 1801987052 XZHZKDVUDRDFAP-MUJYYYPQSA-N 418.471 0.577 30 20 HCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1ccc(O)c(O)c1O 1802082477 MZBMZLWOQFOWRF-XCZHGCMTSA-N 400.431 0.820 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807018425 MZMLSEQTQUQULR-HOCLYGCPSA-N 423.410 0.362 30 20 HCED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810290535 YKBIUTDXMVFSLD-HWLNUASRSA-N 414.510 0.695 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cc3cccnn3n2)[C@@H]1c1cccnc1 1811270070 MBOTVHZJDWRAGF-QRWLVFNGSA-N 418.413 0.532 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)CN3CCNC3=N)[C@@H]2c2cccnc2)c1 1811534966 HIYRDRDEOLFASJ-VQIMIIECSA-N 420.477 0.441 30 20 HCED C=CCOCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1815204792 IXAJWCHANKSCJF-HOCLYGCPSA-N 420.514 0.977 30 20 HCED NC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819852601 YVXKNMVSJOEAPA-GFCCVEGCSA-N 419.507 0.422 30 20 HCED CC(C)(C#N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1823886344 YMBNQJJZCHQJHZ-IEBWSBKVSA-N 406.527 0.806 30 20 HCED N#CCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CS(=O)(=O)N2CCCC2)CC1 1826319829 DUMTTWOPVHYPLF-QGZVFWFLSA-N 410.540 0.945 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(C)c3)C2)C1 1829766021 GMKBLODIRDWWLN-NYPGBQQYSA-N 416.478 0.252 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1 1830064309 ILGWFQHSKQDPFP-OXJNMPFZSA-N 403.483 0.759 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSC1CCCC1)CCO2 1831364951 WXKOTONOLIAIEW-IBGZPJMESA-N 410.492 0.207 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1831386647 HULAWFHPOXNVQV-YWZLYKJASA-N 421.519 0.489 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(C)n3)C2)C1 1831391840 WRAKVHCUXQAHNE-LIRRHRJNSA-N 407.492 0.560 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)nn1 1831493578 SYOYEBJTNGUKOL-QFBILLFUSA-N 424.523 0.510 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671338 MCADOLOMXDBGGO-GOEBONIOSA-N 406.483 0.402 30 20 HCED CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1832416328 YHYJACDRGUCFKZ-UZLBHIALSA-N 413.584 0.882 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(-c3ccccn3)nc1)CCO2 1833292898 POLKAINJLBCMLR-NRFANRHFSA-N 407.430 0.242 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790153 KCOGJXFLYNDKHI-MEDUHNTESA-N 400.888 0.518 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834413636 HPKBQRYGGMARHN-LAUBAEHRSA-N 420.510 0.546 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835128890 QRTJEFXEOVGBCB-KNQAVFIVSA-N 421.538 0.357 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ccsc5n4)C3)C2)CC1 1835344398 BOQYSLYWOPFJMD-LJQANCHMSA-N 415.475 0.770 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ccc4F)C3)C2)CC1 1835345822 FGDFMJDJIVRDBJ-HXUWFJFHSA-N 403.410 0.905 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836186604 HJOIATRIPLPVTO-OAHLLOKOSA-N 420.510 0.943 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836298380 UUCABNQNCROQEG-HXUWFJFHSA-N 403.483 0.952 30 20 HCED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1836303007 YBQCJBGMLGAMCT-HXUWFJFHSA-N 410.434 0.369 30 20 HCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1)N1CCN(C)CC1 1836371918 GYXNLSMWHWORGR-SFHVURJKSA-N 418.586 0.498 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837011137 GBWXETNFLLWEPF-DJJJIMSYSA-N 404.492 0.951 30 20 HCED CC(C)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527794 WQDLMDRTOHHYSQ-AGJWPYNWSA-N 415.462 0.720 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1837561499 PDJSFXNHBTUEDB-DKLCPLSMSA-N 401.423 0.192 30 20 HCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1)C(=O)O 1837790998 WPUCPEKAPGYKGF-MRXNPFEDSA-N 406.483 0.351 30 20 HCED COc1ccnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1837952410 FQYLXCHTWOSKGS-HXUWFJFHSA-N 400.435 0.464 30 20 HCED CCc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1C 1838503928 SWIMFQRCCURYCO-UHFFFAOYSA-N 416.478 0.683 30 20 HCED Cn1cc(F)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737162 LKINREKSTDWWOF-FQEVSTJZSA-N 415.425 0.748 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451616 GEDQUZOCOUGCIL-UGKGYDQZSA-N 414.506 0.935 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)CCO2 1839713725 CAKBREZQORBHLP-IBGZPJMESA-N 408.524 0.567 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ccc(F)cn34)C2)C1 1839810411 WCNZVIASFGWXRD-FQEVSTJZSA-N 400.410 0.485 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1)C(F)(F)F 1839891789 XVDHGVOXOIMBGP-MRXNPFEDSA-N 421.372 0.014 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)(C1)C2 1840005352 WCAFGGXBMXESGR-CBNMVNINSA-N 417.462 0.090 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1840029603 KQSZQUYIMCHQGS-CKJXQJPGSA-N 401.463 0.764 30 20 HCED C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840044730 UJBXXZUZPGAPPI-VGOFRKELSA-N 414.458 0.725 30 20 HCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1840146150 YKNJMPMVRDRCOQ-CBGDNZLLSA-N 421.494 0.726 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840159953 RTZCSJAHUURMPL-UGSOOPFHSA-N 405.480 0.118 30 20 HCED CN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1840811502 NHPDXSVARHKIDT-NRFANRHFSA-N 404.511 0.478 30 20 HCED C=CCC(CC=C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893294 UQDCKWRKXLBUJG-UHFFFAOYSA-N 409.552 0.689 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299337 PKBYRFKQDZDPIR-DQFKJYDESA-N 415.512 0.400 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cn2c(nc1=O)SCC2 1847806571 WRJNMGURJLPRJJ-KBMXLJTQSA-N 416.503 0.132 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 16559710 JWFSFNAISKCSAG-UHFFFAOYSA-N 417.399 0.962 30 20 HCED Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 64047033 INGXAOHZVMQAEL-UHFFFAOYSA-N 418.435 0.505 30 20 HCED C=CCc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 116000109 JPEZTDRVYOIMTN-UHFFFAOYSA-N 411.524 0.739 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 409555672 UTSNQUOTAYZMKX-ZBFHGGJFSA-N 400.526 0.797 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N(CCO)Cc2ccc(Br)s2)CCO1 410388182 BBWQUCZYNMLGIC-SNVBAGLBSA-N 410.315 0.774 30 20 HCED Cn1c(NCCCc2nn(-c3ccccc3)c(N)c2C#N)nc2c1c(O)nc(=O)n2C 428114322 CMBNCOAUWIPXLT-UHFFFAOYSA-N 419.449 1.057 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCOCC)CC1 430410370 WEXHKBRZONXKND-ROUUACIJSA-N 409.527 0.865 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 433826651 QSNPTTCILFTRID-CYBMUJFWSA-N 412.468 0.186 30 20 HCED COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 434657004 ZUAFGMUNLFDKIW-JKSUJKDBSA-N 420.491 0.916 30 20 HCED CN1C(=O)NC2(CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)C1=O 434827637 KUKSCTIYKJDWMY-UHFFFAOYSA-N 400.439 0.596 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 438063696 CNDLBEKNAHTCDW-DOTOQJQBSA-N 411.528 0.726 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCC(=O)N2CCOCC2)ccc1OC(F)(F)F 443303426 RUELCXQQJXJNHB-UHFFFAOYSA-N 400.313 0.370 30 20 HCED Cc1ccc(NC(=O)Cn2nc(C)c(C#N)c2N)cc1S(=O)(=O)N1CCOCC1 444358748 UTUPDVYWPKKNCS-UHFFFAOYSA-N 418.479 0.613 30 20 HCED Cn1ncc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1C(F)(F)F 445054404 ADMXGAJRRSUDOM-UHFFFAOYSA-N 407.356 0.993 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 445851974 MSWWONIYWMMUBA-ZDUSSCGKSA-N 420.470 0.446 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)cc1 447456480 AXKMKEVSRPIGGV-QAPCUYQASA-N 419.478 0.413 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(N4CCC4=O)c3)CC2)c1C#N 448268878 WRLMDKQECZJLRC-UHFFFAOYSA-N 421.461 0.624 30 20 HCED Cc1cc(C)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)n1 463324471 HSWTXFRFTOLJND-UHFFFAOYSA-N 415.475 0.265 30 20 HCED C=C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 465347408 VUHJOQRUNYWDNL-UONOGXRCSA-N 423.491 0.890 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 468713530 GTCGYFUQQXTJCG-UHFFFAOYSA-N 402.432 0.743 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)c1=O 471247878 YORUXHMZZZQJIB-UHFFFAOYSA-N 400.786 0.169 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCN3CCC(N(C)C)CC3)CC2)c1C#N 472087596 IOLNSGBNSGLQKY-UHFFFAOYSA-N 402.547 0.458 30 20 HCED Cc1sc(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)c(C#N)c1C 478966108 QJJCZQSIQBGKMR-UHFFFAOYSA-N 405.524 0.652 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H](CO)[C@H]2CCOC2)n1 485323235 PDTKYGKQLQCTFF-STQMWFEESA-N 401.398 0.583 30 20 HCED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488641124 UIEMJFXJONDACP-INIZCTEOSA-N 407.430 0.421 30 20 HCED C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CN1CCN(C)CC1 495696831 NWWRRRYHQDLUKW-MRXNPFEDSA-N 407.540 0.178 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 502230711 LBABHEYERXCLDJ-RBUKOAKNSA-N 400.479 0.513 30 20 HCED Cn1cc([C@@H](CNC(=O)c2ccc(C#N)nc2)NC(=O)c2ccc(C#N)nc2)cn1 505447449 IMSLULGVNONTTQ-GOSISDBHSA-N 400.402 0.855 30 20 HCED C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C(N)=O)C1 508961774 OMLGJZOLELHBMN-OAHLLOKOSA-N 403.439 0.847 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CCCOCC(F)(F)F)CC2)C1=O 517861548 LBKQKSVAUWWIIH-UHFFFAOYSA-N 420.388 0.076 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCN2CCN(c3ccccc3)CC2)C1=O 521466820 GOGXQSGJUKURQN-UHFFFAOYSA-N 413.478 0.292 30 20 HCED N#Cc1ccnc(N2CCN(C[C@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)c1 521531591 GYILRHCMEASMCP-SFHVURJKSA-N 406.446 0.953 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 527085607 NGUKCIDSXBAEPD-GJZGRUSLSA-N 421.475 0.700 30 20 HCED COC[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 532972136 QXOFDGQNQVGKOU-HNNXBMFYSA-N 415.450 0.802 30 20 HCED COCCCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 536993214 LVXOSPGBRMWFQE-QZTJIDSGSA-N 414.572 0.204 30 20 HCED CCOC(=O)CNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 538137741 GSSUJFLIYLHUJW-GOSISDBHSA-N 421.542 0.070 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(N)=O 539770132 TWCZAJLJMPCFJC-LLVKDONJSA-N 401.463 0.961 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)n2)c(F)c1 542086056 NMZJJJOTUVOWNF-UHFFFAOYSA-N 412.303 0.616 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(C(=O)C4CC4)CC3)CC2)n1 550754785 NNHYEBXZVUMIJK-UHFFFAOYSA-N 410.478 0.119 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C#N)cc1 550971604 JJQJVRNUIPOPBR-YOEHRIQHSA-N 408.462 0.776 30 20 HCED C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551077346 PUYVXUONUJVRNJ-VQIMIIECSA-N 411.506 0.766 30 20 HCED CCCCN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 555019601 FMZSYTNXCWDMQJ-HNNXBMFYSA-N 408.480 0.797 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)n1 562143739 XBEACXZEXSVEPL-OAHLLOKOSA-N 403.402 0.290 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 562899720 VONODNUOHUPXOD-RTBURBONSA-N 411.506 0.623 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)C2=O)cc1 563910147 LQMVUDUPKBFCAS-WOJBJXKFSA-N 423.517 0.908 30 20 HCED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 588884608 NZVIJCMJZDGNLQ-HOCLYGCPSA-N 404.442 0.656 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 589297253 FMUKCNUMTXMGFB-CQSZACIVSA-N 413.525 0.718 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@]3(C#N)CCSC3)CC2)c1 604327379 LFWDEYNQOCTUEJ-GOSISDBHSA-N 408.549 0.962 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 604533886 VOOZLWNXMKVOAC-UHFFFAOYSA-N 408.480 0.683 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(F)c3F)c2=O)cn1 609351130 NOJBWTUCAKIGIQ-UHFFFAOYSA-N 415.425 0.643 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 609464476 JCYHDXXJNKLZQF-SFHVURJKSA-N 405.543 0.536 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC#Cc2ccccc2)cc1 643645674 AVEJBAGCAQJQHQ-XLIONFOSSA-N 414.483 0.987 30 20 HCED C[C@H](NC(=O)C1CCCC1)C(=O)NCC#CCNC(=O)[C@H](C)NC(=O)C1CCCC1 681338225 ARRIHEQDDPOHLT-HOTGVXAUSA-N 418.538 0.612 30 20 HCED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 727102940 AVTBGEMRTLQILG-UHFFFAOYSA-N 406.508 0.469 30 20 HCED N#C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCO1 729979304 DXOLPFULBZPNIB-UONOGXRCSA-N 405.432 0.375 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 731888567 WKRVYXTVCIWSHE-CZIZESTLSA-N 413.409 0.947 30 20 HCED N#C[C@@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCS(=O)(=O)CC1 732910007 IZEJDNFPXPXJDM-HNNXBMFYSA-N 417.403 0.360 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 733891595 PPTNQWGTCPQXOY-ZCXUNETKSA-N 406.464 0.306 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@H](C)C(=O)NC(N)=O 744593152 HOXQQLIHOOYMFL-NSPYISDASA-N 400.391 0.278 30 20 HCED CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 745048724 APBFLMDRXROAFP-UHFFFAOYSA-N 410.390 0.556 30 20 HCED COC(=O)c1ccc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)[nH]1 747633436 YWZIUHINEHAKMY-UHFFFAOYSA-N 406.468 0.578 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 758050477 SSMJOWKYQRXWNM-OAHLLOKOSA-N 417.494 0.657 30 20 HCED CN1CCN(C(=O)CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758336268 DHBHUSXQLGKKDZ-GJZGRUSLSA-N 408.503 0.209 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccn(C)c3)c2=O)cn1 763461328 WMMLUZMOYPIXIO-UHFFFAOYSA-N 422.514 0.579 30 20 HCED CC(=O)NCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764755970 KERIWDCCPPAZAR-INIZCTEOSA-N 406.464 0.645 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)ccc1F 765834531 FUNKRPJMYAIEFC-UHFFFAOYSA-N 424.454 0.446 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3C[C@@H](C)O[C@H](C)C3)no2)cc1 771226669 XGRWYGJCGIGYCQ-ZIAGYGMSSA-N 418.475 0.826 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)c1 772792755 LSWQIQUCZUQNCG-RDJZCZTQSA-N 410.492 0.084 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1)[C@@H]1CCCO1 773793469 GRARHUNQDJKCRK-CVEARBPZSA-N 401.419 0.215 30 20 HCED COc1cccc(/C=C(\C(=O)NS(=O)(=O)CC(C)(C)C#N)n2nnnc2C)c1 776138186 FVBCSUDPJZVSPE-OQLLNIDSSA-N 404.452 0.984 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC(=O)NC(=O)C12CCCCC2 782974258 RDPZCEPYRJYNTH-UHFFFAOYSA-N 402.382 0.854 30 20 HCED C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)NC1(C#N)CCC1 787596053 CVZQLSOKEKBNTC-NSHDSACASA-N 414.871 0.898 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCCNc1ncccc1C#N 787779193 VXXXCCXKMABSRP-OAHLLOKOSA-N 416.482 0.997 30 20 HCED C#CCN=c1nc(N(C)CC2CCN(C)CC2)[nH]c(N(C)CC2CCN(C)CC2)n1 804431479 RKYBWSNFVSMXOE-UHFFFAOYSA-N 414.602 0.895 30 20 HCED C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)C(=O)NC1CCN(CC#N)CC1 805058767 ZJTRSMOKOVTNAT-GJZGRUSLSA-N 407.515 0.852 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccncc1 805812388 VJPPETBEUHKLCF-LJQANCHMSA-N 413.522 0.972 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@@](C)(O)c3ccccc3)CC2)c1C#N 807507040 MAGTXHHETZEKDX-JOCHJYFZSA-N 424.505 0.663 30 20 HCED COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C(=O)NCc1ccc(OC)c(C#N)c1)C2 809503846 LJMBHXQQODKURS-MGPUTAFESA-N 401.419 0.221 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 816994084 FGYHQPCQZLFZHV-SFHVURJKSA-N 421.436 0.861 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OC[C@H]3CNC(=O)O3)nnc12 913164230 PQIBYHPNKDSXIN-LLVKDONJSA-N 415.431 0.974 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OC)c1=O 916198242 HVVPAGZIVGFFDA-UHFFFAOYSA-N 401.488 0.592 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)C1(O)CCOCC1 1142572289 KVYVGAIBAYVKHS-CQSZACIVSA-N 409.508 0.909 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1256376837 PJMYHUPVLBJWIR-UHFFFAOYSA-N 403.467 0.193 30 20 HCED N#C[C@@H](C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 1263291525 ZOQMLIULBWFUMP-LBPRGKRZSA-N 424.866 0.449 30 20 HCED C=C(Cn1c(CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1286617615 OCPQTVADRNMARP-UHFFFAOYSA-N 407.482 0.889 30 20 HCED CN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298005143 MGSSTEIPUXLKSD-INIZCTEOSA-N 410.482 0.463 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1315053229 OQSMFHUCOZZZRB-UHFFFAOYSA-N 418.479 0.100 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CC2 1339049068 VDORFDNGPQRIDN-GOEBONIOSA-N 407.434 0.794 30 20 HCED N#Cc1cn(CC(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)c(=O)nc1O 1595391171 PVSDJJFKVHGUKH-LBPRGKRZSA-N 412.324 0.395 30 20 HCED CCN1CCN(C(=O)CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1651051184 LWBSUGVXLFAINW-UHFFFAOYSA-N 409.284 0.980 30 20 HCED CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741294641 FQBHRBIMHFHVKV-HOTGVXAUSA-N 414.514 0.178 30 20 HCED CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1746702221 SVALNWMBYWNOJN-SJORKVTESA-N 415.491 0.807 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCOC[C@@H]1C 1747194444 IEBIXOIZLWHJDB-FUHWJXTLSA-N 403.531 0.712 30 20 HCED N#CC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)CC1 1770746713 JLNUQCVKOHYFSK-UHFFFAOYSA-N 413.404 0.819 30 20 HCED Cc1nn[nH]c1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)C2 1777742471 PUHQDODLFCRFQI-FOIQADDNSA-N 417.514 0.523 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1778973510 GLMLANNFTGRGGS-XGHQBKJUSA-N 404.511 0.922 30 20 HCED Cn1cccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100383 BYVTUOCVWKRLJQ-PDQMUUICSA-N 404.467 0.998 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103745 YFOOYZWNUSDIAE-XIBLASPXSA-N 422.482 0.036 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1779106700 PKGDQJVLJPWSOU-MDAVEZEFSA-N 418.450 0.760 30 20 HCED CCn1nc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1C 1779834986 LRTZOOXBHXWXSC-OXQOHEQNSA-N 402.451 0.427 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1780174765 IDHKEEBMOCWXPQ-NRFANRHFSA-N 423.429 0.820 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780598483 RIZPUEYRZACOQN-NHCUHLMSSA-N 415.446 0.618 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nn[nH]c3c2)C1 1781442544 FAZOVDAKTJXVJM-OXQOHEQNSA-N 411.418 0.173 30 20 HCED CC(=O)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1783144504 RWUOESYHWZLXBP-FQEVSTJZSA-N 410.434 0.014 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(C)c3)C[C@@H]21 1783530277 OTAROEMAFCVULF-PKTYMYEJSA-N 400.479 0.477 30 20 HCED Nc1nc2cc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)ccc2s1 1783563170 XWQLMXKCKOVGTC-IBGZPJMESA-N 414.443 0.410 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CC)[C@H]2C1)C(F)(F)F 1784369749 JHDVJBFMJWRUMT-RFGFWPKPSA-N 405.417 0.999 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1785489093 ZRFLXUTXUKCNNY-NRFANRHFSA-N 410.430 0.413 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786744550 MBSQLRLLEAUWLL-LSTDLKDCSA-N 413.584 0.643 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)cc1 1787118354 BNMOHEDYHIIBQI-UFYCRDLUSA-N 422.489 0.762 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1788661164 CTIHJRWFQZUUNP-LQYKDOGESA-N 409.483 0.532 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1789955324 IQQXEFUFIAMYTP-RFGFWPKPSA-N 419.425 0.877 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(Cc3ccco3)C(=O)OCC)C[C@@H]21 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HCED COc1ccnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1 1795599072 PMUCTERBFWHYND-JLVBRIDZSA-N 415.494 0.575 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC13CN(C(=O)OC(C)(C)C)C3)C2 1800455509 DMBSKLPNCPZBPM-IVSAIRAKSA-N 403.479 0.466 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1802153156 SOTCTRWWSKDSCJ-CQQDWVGSSA-N 417.506 0.997 30 20 HCED N#Cc1cccc(CCC(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@H]2c2cccnc2)c1 1802955059 ROPFWDBMLKZCJX-QUCCMNQESA-N 408.458 0.903 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1803564999 NINPBLYZXIZZFT-NOCIGQNYSA-N 400.479 0.957 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)c2cnn(C)c2)[C@H]1c1cccnc1 1805646146 OQTSHBXSJMSMSO-GFCSNGQLSA-N 422.489 0.993 30 20 HCED CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1806940998 WMOOLJIEFKZLIY-SJORKVTESA-N 414.510 0.457 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c1 1807614829 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COCCC(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 487262405 CQDFLPSRYBSEMG-UHFFFAOYSA-N 400.483 0.812 30 20 HCED CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)N(C)C1 503423608 UQRPRGORTDVZPL-GJZGRUSLSA-N 414.441 0.999 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C 507791452 FIEOMNRANPRHIX-DOTOQJQBSA-N 423.477 0.708 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 523704725 IISPZOFUTQDBCD-LBPRGKRZSA-N 422.463 0.091 30 20 HCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 525775679 LEMGBLXBTJBDCM-UHFFFAOYSA-N 422.397 0.385 30 20 HCED CCOC(=O)[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCOC1 543485777 JLHPNTNFBAWKQO-CRAIPNDOSA-N 419.482 0.451 30 20 HCED COc1ccc(O[C@H](C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 551236713 YKEVBJTWONBKKQ-CYBMUJFWSA-N 414.466 0.847 30 20 HCED N#Cc1ccc(-c2nnc(CN3C(=O)C(=O)N(CCCN4CCOCC4)C3=O)o2)cc1 553833892 ZPVOXJVYYICKNQ-UHFFFAOYSA-N 424.417 0.621 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2CN2CCOCC2)CC1 555726845 GHHYSGJEDMHOBE-UHFFFAOYSA-N 400.523 0.902 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 556386506 IMEQUWKNMZMJRV-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)n1 561939782 UGBVHGYUEUIRTJ-UHFFFAOYSA-N 419.392 0.919 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C2=O)cc1 565795886 SQSRUQFMHSYBQH-PMACEKPBSA-N 423.517 0.862 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN(CC)c2cccc(C)c2)CC1 568729081 WFEVUFHPLXHQCF-UHFFFAOYSA-N 415.538 0.384 30 20 HCED CCn1cc([C@H]2OCC[C@@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 569058365 QFZOMCNVQOMDKW-FUHWJXTLSA-N 403.464 0.699 30 20 HCED COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 572564086 XTQURBQVSYWKRE-MRXNPFEDSA-N 411.462 0.959 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 578178214 HWDWVVSPPZTPSA-UHFFFAOYSA-N 421.454 0.929 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccnn1C 589212596 MLAFTQARQYOTPG-CQSZACIVSA-N 400.487 0.544 30 20 HCED COCc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n2ncnc2n1 610337675 ZGCDMVAVXAJWEO-UHFFFAOYSA-N 413.463 0.653 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1 615315181 HGXQXCQMZQZPDH-OAHLLOKOSA-N 405.886 0.673 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(CC#N)c2)c1 619482021 HOFGXXVUDIGLTM-UHFFFAOYSA-N 422.488 0.578 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCc1c(C)nc(O)c(C#N)c1C 619876654 UMUBGMMMDGCCCF-MRXNPFEDSA-N 418.450 0.115 30 20 HCED CCNC(=O)COc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732415634 CSIHTSNXKVTKCN-ISLYRVAYSA-N 401.423 0.849 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)nc1C 733153096 FBSMONQTFJEMDL-UHFFFAOYSA-N 421.464 0.544 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)cc1 734230146 QVZARZVLOSQGHI-SSPLZPMDSA-N 408.480 0.325 30 20 HCED C[C@H](CC(=O)NC1(c2nn[nH]n2)CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742687816 OPGLRNJXNGCWHI-LLVKDONJSA-N 403.468 0.603 30 20 HCED CCOCCC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(S(N)(=O)=O)c2)S1 743277956 XCLPCRSYCQDYCZ-ZDUSSCGKSA-N 414.509 0.677 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 745587120 VIHSAJWUSOMURB-UHFFFAOYSA-N 415.427 0.290 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)c1 746223476 ABAQVAKOSKKONE-HNNXBMFYSA-N 422.463 0.951 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 750257411 PRIZIBMUYUXXNM-UHFFFAOYSA-N 424.410 0.000 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)CCn2cc(S(N)(=O)=O)cn2)C1=O 751655959 DQHFHIJQHFIIDO-LBPRGKRZSA-N 409.449 0.202 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(OCC#N)c3)CC2)cn1 760389042 COZFTRGVWHVKPZ-UHFFFAOYSA-N 417.491 0.834 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2ccn(C)n2)C1=O 760457868 CUJZXOJVOUIKFM-HNNXBMFYSA-N 414.491 0.829 30 20 HCED C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1ccccc1C#N 762391972 MDNWJSPEOVGVAS-GFCCVEGCSA-N 400.416 0.926 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 767635935 HHBFZDDQDBIELI-SGTLLEGYSA-N 404.448 0.577 30 20 HCED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OC(F)F)c1 771890207 FFEUBVCMNADAQA-UHFFFAOYSA-N 418.378 0.006 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(N)=O)c1 782681764 WZNJUAJBTLUXJS-CJLVFECKSA-N 423.495 0.210 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)n2)c(Cl)c1 782821064 CUTOUIDTUUEPOH-GFCCVEGCSA-N 414.809 0.999 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C)[C@@H]1CCS(=O)(=O)C1 783476565 WXBANNQUBPPZFL-QGZVFWFLSA-N 419.503 0.419 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OCC(=O)OCC)c1)[C@@H]1CCS(=O)(=O)C1 783481276 WGANGPBJBFSZAP-OAHLLOKOSA-N 422.459 0.216 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccnn1Cc1ccc(OC)c(OC)c1OC 784869822 NMVRDWBXFLGFSW-UHFFFAOYSA-N 410.430 0.991 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 786001691 DPRWNDJFLSIDOV-QGZVFWFLSA-N 400.460 0.946 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1 788247238 MRPXJXQWNDJDSK-UHFFFAOYSA-N 419.459 0.598 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(C(F)(F)F)cc1OC)[C@H]1CCS(=O)(=O)C1 792279229 YZJVXYGUEYZVNU-JTQLQIEISA-N 419.381 0.696 30 20 HCED C#CCC[C@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 799082714 KWIAGKAYAFRSFA-HOCLYGCPSA-N 409.464 0.886 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCCO[C@H](C)C#N)cc2)CC1 801812475 GDBAPHRSYBTGSD-CQSZACIVSA-N 409.464 0.625 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)COC(F)F)CC1 803730689 GRGFTNWOBJMHFP-UHFFFAOYSA-N 417.390 0.174 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCOC1(C#N)CCOCC1 809086365 KNEUDWQARKOCGV-CQSZACIVSA-N 407.448 0.858 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CC[C@H]2NC(=O)NC2=O)n1 917075824 PFFQCBANSQTAQJ-SECBINFHSA-N 407.481 0.727 30 20 HCED C[C@@H]1NC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)=NN(c2ccccc2)C1=O 918684829 WJMJJGQSBXPGAF-HNNXBMFYSA-N 403.446 0.940 30 20 HCED Cc1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)nc2c1c(=O)n(C)c(=O)n2C 1129494790 XNIPUMABNPVBDM-UHFFFAOYSA-N 404.386 0.411 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(=O)nc1O 1136707221 NUIVYNKKHIFDHT-UHFFFAOYSA-N 416.825 0.850 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1222261111 WEUXVTDHSWJMGO-GOSISDBHSA-N 408.480 0.268 30 20 HCED Cn1ncc2cc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21 1255756462 PGNKWTXPORNMKZ-KRWDZBQOSA-N 410.459 0.919 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1S(C)(=O)=O 1299411959 SSTPBKIHEIZFOQ-CYBMUJFWSA-N 421.500 0.945 30 20 HCED COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1nnc(C)s1 1301809230 NTJPIZCQBIHIMM-UHFFFAOYSA-N 404.500 0.975 30 20 HCED C=CC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC 1320435833 BNXHYKGEQTZHST-GOSISDBHSA-N 423.535 0.925 30 20 HCED CN1CCN(c2cc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccn2)CC1 1321745707 MNKZIUAZMKOCNF-HNENSFHCSA-N 413.482 0.159 30 20 HCED C=CCNC(=O)Cc1noc(Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)n1 1343845822 LUTIMSKMSWBRHL-UHFFFAOYSA-N 409.468 0.155 30 20 HCED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1352007730 DZBFWGAGOGRQFY-KBPBESRZSA-N 417.557 0.274 30 20 HCED CC1(C)COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1510340057 MYUNZEUXDVHVSM-GJZGRUSLSA-N 403.487 0.069 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1541879012 MZKPRMLSSLAVET-UZLBHIALSA-N 419.505 0.924 30 20 HCED C[C@@H]1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1612693639 ZHAUMABTONVUKT-FPCVCCKLSA-N 409.512 0.724 30 20 HCED Cc1cc(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)c(C)s1 1651441940 XCLMNJXKXUBVRX-UHFFFAOYSA-N 409.493 0.135 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1663443835 OFVJGPUVXUWLDB-OAHLLOKOSA-N 414.553 0.343 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CCN2CCNC2=O)n1 1674522904 TYJQAIVOEBUVJN-AWEZNQCLSA-N 424.469 0.313 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722865559 INZKWHNRKUEHKC-AUUYWEPGSA-N 414.491 0.962 30 20 HCED CC(=O)N1CCN(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1760622570 LCCSUYOYJYJGRA-HOCLYGCPSA-N 402.503 0.132 30 20 HCED CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768308788 VGSCWQCMDNHJMS-BCOMRZATSA-N 419.555 0.459 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccncc3=O)CCO2)C1 1778885392 DPJDEHGIXUCBKS-UTKZUKDTSA-N 400.479 0.842 30 20 HCED Cc1ocnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102848 KEKHXNZXVWJWCB-GQMJWJPTSA-N 406.439 0.956 30 20 HCED COC(=O)C1(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1779138483 WXJKOLBLGFWIEQ-QVQQHXNLSA-N 403.435 0.482 30 20 HCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1779315878 VXXCGXXJRQYETK-QLVMHMETSA-N 404.511 0.621 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCOC)C2 1779332255 DUGUTZAELLEACL-CSODHUTKSA-N 412.527 0.736 30 20 HCED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(C#N)cc4)C3)C2)CCC1=O 1780692779 LZCFHBFYKNKGGM-NRFANRHFSA-N 409.446 0.610 30 20 HCED NC(=O)c1ccccc1C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1781757705 IBUXJECZFDCVNM-NWBNNPRYSA-N 424.457 0.941 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)c1 1782664365 JJACSIUSEJSURY-QFIPXVFZSA-N 421.457 0.567 30 20 HCED COc1ccc(COCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783567425 OHWWGGJUOTWMCL-OAQYLSRUSA-N 416.430 0.130 30 20 HCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783899375 FOVUTPAMVKNBIU-IERDGZPVSA-N 423.510 0.505 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CC)[C@H]2C1 1784368017 VJOJJJGJCKVWQD-QAETUUGQSA-N 423.510 0.390 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CN)c3ccccc3)C[C@@H]21 1784480189 RATRUYWTESOEMF-RQUKQETFSA-N 413.518 0.747 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Oc3cccnc3)C[C@@H]21 1784481705 VGNZTZJEGHPXFW-VYMYIBDJSA-N 415.490 0.867 30 20 HCED 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20 HCED C[C@](O)(CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)CN1CCOCC1 442015629 WQJHCDWLOTTXPF-KRWDZBQOSA-N 414.384 0.715 30 20 HCED CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCO1 443477572 QWGJEGWGPKFMKF-ZDUSSCGKSA-N 402.270 0.846 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(CC(=O)N(C)C)CC1 460800137 BEGYXPXLKQXOCW-UHFFFAOYSA-N 423.477 1.103 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCCN(CC(=O)N2CCCC2)CC1 463685322 BEMIJPYHBWNCHX-UHFFFAOYSA-N 406.508 0.886 30 20 HCED CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C 464852052 KYMRJHIDEOROGY-DOTOQJQBSA-N 400.483 0.803 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 478846589 UFNJHZMGTFLZFC-LBPRGKRZSA-N 417.418 0.993 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 481254223 JTAPDVNBTDEMAN-LRDDRELGSA-N 422.532 0.747 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCc2cccnn2)CC1 482829047 QJNGZAQFUPHQDO-UHFFFAOYSA-N 407.390 0.561 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1Br 500187514 NZTJHJLGXGMSOV-LLVKDONJSA-N 415.269 0.539 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1C 500546882 WHKYCZDGGBBTLD-UHFFFAOYSA-N 414.443 0.559 30 20 HCED C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 501139303 AUAIHAVUFOZWGS-MRXNPFEDSA-N 421.523 0.295 30 20 HCED CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 501530851 DMVWCOPCUNTYLT-UHFFFAOYSA-N 400.254 0.953 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)cs1 503554629 CCDOVFQRWQDUJY-UHFFFAOYSA-N 419.488 0.795 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c1 503885768 PJFKZKHYXITHBL-ZBFHGGJFSA-N 424.475 0.718 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)nn1CCC#N 504549536 WJXUPJQMODNZTH-GOSISDBHSA-N 423.477 0.415 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(CC(N)=O)cc3)C2=O)cc1 505163642 BKEWQZPKQJKNIS-SFHVURJKSA-N 419.441 0.836 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 505354864 AAQAGBGRTUBSCT-OKILXGFUSA-N 410.471 0.809 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)n1 512778840 PHASISWCWWWQMK-UHFFFAOYSA-N 412.303 0.616 30 20 HCED COC(=O)CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C 538675447 KLQFLFVSYHDKID-HNNXBMFYSA-N 407.492 0.569 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc(NS(C)(=O)=O)c3)no2)C1=O 546333602 VKNDLFBEFGDYFQ-UHFFFAOYSA-N 405.392 0.585 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)C1=O 548984894 VCTNZKOYARHDMV-CYBMUJFWSA-N 402.494 0.506 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)C2=O)cc1 554694853 QKKUWIUIBBGNCX-UXHICEINSA-N 423.517 0.862 30 20 HCED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[C@H](S(=O)(=O)NC(C)C)C1 554932790 ZZICXHYXCIHFQV-AWEZNQCLSA-N 422.511 0.894 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 555244519 NUFCLTONGZTKBO-UHFFFAOYSA-N 401.515 0.491 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCSC1 556204895 NLZAYOIGYWVVMP-HXUWFJFHSA-N 419.526 0.899 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)C1=O 580693211 CBBLIBOTMRFKIB-MRXNPFEDSA-N 409.446 0.527 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)nn1 580707573 MCBSUOIPDBVXMU-UHFFFAOYSA-N 400.370 0.878 30 20 HCED COC(=O)C[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 588214495 HDVKNEPDODUODI-HZPDHXFCSA-N 406.508 0.721 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1 603552941 BGIYQQGRXOCZJN-UHFFFAOYSA-N 407.499 0.970 30 20 HCED COc1ccc(NC(=O)C2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 609449487 NVODISMORRBKQQ-UHFFFAOYSA-N 409.464 0.975 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1cccc(C#N)c1 610776683 QSRJTEYQUVOVDW-AWEZNQCLSA-N 410.434 0.429 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccncc4)c3)CC2)c1C#N 616005620 MOQVJOTWEHWNDN-UHFFFAOYSA-N 419.449 0.468 30 20 HCED N#CCc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 619490702 BZYOXKQZLASTEN-GOSISDBHSA-N 414.487 0.634 30 20 HCED O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 682320024 SMBIVPFDEGPZJD-MRXNPFEDSA-N 408.439 0.849 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 731764185 NWSXCXMVWLQLIM-UHFFFAOYSA-N 417.447 0.740 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)cc1 746563420 DJMQETBHXJBXCU-UHFFFAOYSA-N 402.432 0.481 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(c3nc4ccccc4cc3C#N)CC2)CC1 750015000 MPUZRVQGMVZNCK-UHFFFAOYSA-N 400.508 0.721 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)[C@H](C#N)C1 757596120 UUWCXZOHAUZDRF-GHMZBOCLSA-N 400.482 0.884 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 758049337 AIYYULXPGSQQCZ-UHFFFAOYSA-N 401.831 0.174 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(N)=O)CC1 774292098 KYKVTXFLOMOKHV-AWEZNQCLSA-N 422.507 0.123 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCS(=O)(=O)N(C)C 774530254 MITFHAPUMASFEA-GFCCVEGCSA-N 403.482 0.050 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 783348285 WPRFITLABSUMEM-UHFFFAOYSA-N 424.458 0.716 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 783358141 LXSQRJIHMXWNAZ-QGZVFWFLSA-N 409.446 0.678 30 20 HCED N#Cc1c(N2CCN(CC(=O)N3CCCCCC3)CC2)cccc1S(N)(=O)=O 784556425 KFNLEXBLYFMHEK-UHFFFAOYSA-N 405.524 0.730 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)C(C)(C)C)c1 784867604 FCNLNBFILKKLFF-QIIGAIICSA-N 424.523 0.961 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1 786355527 LQJNVYAAWVYDTJ-OHDICMOHSA-N 411.414 0.270 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787563603 QAEXVHQDBZPWPW-UHFFFAOYSA-N 417.487 0.903 30 20 HCED C[C@@H]1OCC[C@]12CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C[C@@H](C)O2 791072831 KIGNVEIJCKLUCM-TYILLQQXSA-N 407.492 0.910 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(Br)n1 793036750 YNWNQKGUUPDYML-UHFFFAOYSA-N 410.272 0.857 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 799286986 RMAHMTWYGHOUIC-OAHLLOKOSA-N 403.435 0.139 30 20 HCED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NN2CC(=O)NC2=O)cc1 807062874 GWZPSUNVWHGTFQ-UHFFFAOYSA-N 409.358 0.881 30 20 HCED CC(C)n1c(S)nnc1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810353704 ASFVWIWWIBCVLO-UHFFFAOYSA-N 408.509 0.657 30 20 HCED Cn1cc(S(=O)(=O)NN=C(C[C@H]2CCCO2)c2ccc(F)cc2)c(=O)n(C)c1=O 811645581 RZNWQNLNUNYGBR-CQSZACIVSA-N 424.454 0.475 30 20 HCED O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=C1COCCOC1 814687421 HSRQQMNTFIEWNS-UHFFFAOYSA-N 400.413 0.430 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCOC 917353296 KJUDHNSUUNGIHC-UHFFFAOYSA-N 411.405 0.824 30 20 HCED CCN1CCN(C(=O)[C@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919316037 ROQUKFQIEWKKGW-HNNXBMFYSA-N 407.492 0.569 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OC(F)(F)O3)N(CC(=O)NC)C1=O 920173740 VUMKBYVELXKNKI-NSHDSACASA-N 414.390 0.822 30 20 HCED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 920730421 BXAKGRKUKNJYCS-UHFFFAOYSA-N 414.455 0.795 30 20 HCED N#Cc1cccnc1NCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921030060 LACUZXHREZLXSD-UHFFFAOYSA-N 420.520 0.861 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc(OC)cc(OC)n1 998055915 IMGFQODWVQIVTM-MRLBHPIUSA-N 402.451 0.947 30 20 HCED COCC#CCN1CCN([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C(=O)C1 1131716276 FZLCCFLIJAMMTF-KKEPMVJESA-N 401.507 0.195 30 20 HCED CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287136073 HSHDHEVRXWOCPF-KRWDZBQOSA-N 411.514 0.627 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(-n2cncn2)nc1 1288100212 QRUARJZTVVKBIT-IBGZPJMESA-N 424.444 0.882 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CCO1 1299137968 SEGHYJHPEINKHO-MRXNPFEDSA-N 421.465 0.437 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C#N)c(F)c2)c1 1299373196 WQELRSGZQKBEPA-UHFFFAOYSA-N 418.450 0.994 30 20 HCED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nncn1C 1323881240 QYINRYPWMRJRPL-ZDUSSCGKSA-N 402.480 0.965 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)N1CCN(C)CC1 1323992861 ZCJBZTZSAPQEET-OAHLLOKOSA-N 407.540 0.367 30 20 HCED C#CCOCCN(C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1336051097 LQTHUWLODNWACC-INIZCTEOSA-N 409.508 0.616 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1338445924 JJAYGTCAIKNUAJ-HKUYNNGSSA-N 411.506 0.970 30 20 HCED CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)Cn1cc(C#N)c(O)nc1=O 1442144539 VTFFCVIXFBZQNT-HNNXBMFYSA-N 405.455 0.087 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)c(=O)nc1O 1444614839 NJITUTUOWOHUSI-ZDUSSCGKSA-N 401.810 0.786 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1cn[nH]c1 1510177879 JIAQNPBSYZWDRK-CYBMUJFWSA-N 406.516 0.984 30 20 HCED COC(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1c1ccc(Cl)cc1 1583088807 XKKRCXDDVZNOQI-LSDHHAIUSA-N 416.821 0.889 30 20 HCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1610295621 YBWDGCSDISZYML-OAHLLOKOSA-N 423.543 0.687 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1616924308 OTSNSIARLBGVCX-FUHWJXTLSA-N 403.531 0.712 30 20 HCED CNC(=O)[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1618203693 VHYWTVNOMNSEIG-SFHVURJKSA-N 408.462 0.681 30 20 HCED CN(C)C(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1696585392 PSLYKTNNWRYWPX-ZDUSSCGKSA-N 422.449 0.801 30 20 HCED Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 1711248251 XGKLSWLTUXFOKY-SUMWQHHRSA-N 422.490 0.402 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCOC1 1729743337 VFLVFQPJINJQNM-OAHLLOKOSA-N 404.496 0.839 30 20 HCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)no1 1761688980 QMBVGFZUDCLEKE-WFASDCNBSA-N 423.499 0.552 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CC1 1770676935 RALTWMXRUJTZFN-UHFFFAOYSA-N 420.477 0.894 30 20 HCED COCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771120980 TVACYTZRHCTNEP-UHFFFAOYSA-N 410.482 0.640 30 20 HCED 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0.644 30 20 HCED COc1cc(C)c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1781893499 KLNHOKUAFYEGAR-OAQYLSRUSA-N 416.430 0.544 30 20 HCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1782175253 PTFFWYMRQZZVNI-PJIJBLCYSA-N 409.508 0.134 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cc(O)n[nH]5)CCO4)C3)c2c1 1782196025 PJTBPYMSXPNVFG-HXUWFJFHSA-N 421.417 0.621 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cncn2)C1 1782531223 HSYHQOKPRIJDQS-ZGPJWRFFSA-N 419.526 0.926 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)C3(O)CCC3)C[C@@H]21 1783528183 IBXCJLKZMWKZLH-BJMLIQPHSA-N 419.522 0.376 30 20 HCED CN(C)c1cccc(OCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783557383 LCKBLDLMMKZTGM-OAQYLSRUSA-N 415.446 0.049 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccc2c1OCCO2 1783562276 KKJFPQJPNPAMNY-NRFANRHFSA-N 414.414 0.298 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)N(C)C(=O)OC(C)(C)C 1783565947 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422.449 0.960 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1cccnc1 480788262 QWDABXBHACCFOW-ZDUSSCGKSA-N 401.448 0.166 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 483536108 WZPWOPFDZPQFES-TZMCWYRMSA-N 414.509 0.918 30 20 HCED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489229718 ZPPCYESHJVTFGD-JKSUJKDBSA-N 406.508 0.739 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 490037715 JLBLICFXMGLWQB-CQSZACIVSA-N 402.498 0.018 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 495900900 AKPLLOZBNQKHAK-UHFFFAOYSA-N 413.521 0.918 30 20 HCED COCCNC(=O)CN1CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 496060625 MTXPKJIUNFWCRI-UHFFFAOYSA-N 404.515 0.253 30 20 HCED COCCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1 505729206 JSWBJOJTWODWJX-SFHVURJKSA-N 424.523 0.360 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](C)[S@@]1=O 507754952 KGMWGPIFQWXTLU-RBVLYBKWSA-N 414.491 0.895 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 508119347 LMOSLXCOJPUXTR-IRXDYDNUSA-N 404.492 0.289 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(N3CCN(CC#N)CC3)c([N+](=O)[O-])c2)CC1 508754602 SFZGDOQAKBFEDR-UHFFFAOYSA-N 408.484 0.176 30 20 HCED Cc1cc(I)cc(NC(=O)C(=O)NCC(=O)NCC#N)c1 508957735 DQSVMARVPYBBJG-UHFFFAOYSA-N 400.176 0.294 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(-c2cccc(C(F)(F)F)c2)n1 509017290 QPNXZTGFCPHRAJ-UHFFFAOYSA-N 408.340 0.894 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 509218503 PGSDKIMTRZXKJU-VIFPVBQESA-N 400.935 0.748 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 509238837 ILODTGLTMOOLIC-JKSUJKDBSA-N 410.544 0.900 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1=O 510253675 FESASXTXKCJYPQ-UHFFFAOYSA-N 420.447 0.386 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C1=O 510344173 VPEXMURYSXSFOI-ZYHUDNBSSA-N 400.482 0.708 30 20 HCED C[C@@H]1CSC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512209422 AXXOIHNCUWHRMS-ZBFHGGJFSA-N 408.549 0.732 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCOCC 522283858 QAMCMKJUXZRWPJ-UHFFFAOYSA-N 400.504 0.761 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c1=O 530317823 NZXCYBTVQQSSQH-UHFFFAOYSA-N 415.519 0.681 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)Nc1ccccn1 532207600 UHBZUMVDHHGTNM-ZDUSSCGKSA-N 401.448 0.765 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1Cc1ccon1 532447954 VBTOVYMCRFWJOT-UHFFFAOYSA-N 402.382 0.473 30 20 HCED C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 537857101 LZWXBQCASAEFEU-UHFFFAOYSA-N 421.519 0.941 30 20 HCED COC(=O)C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 538268090 AXXRVFUIPDTRHD-JKSUJKDBSA-N 406.508 0.721 30 20 HCED C=CCOc1cccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 538738341 PCCRJVMYYHLFSG-GOSISDBHSA-N 407.536 0.672 30 20 HCED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 539770395 WORRIRMOQQVQCY-UHFFFAOYSA-N 416.478 0.118 30 20 HCED C=CCn1c(Cc2noc(Cn3ccc([N+](=O)[O-])n3)n2)nnc1N1CCOCC1 544189365 QATUCLZPKMEJHH-UHFFFAOYSA-N 401.387 0.428 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C2)nn1 547293113 NKBWTBGROSRXQK-LBPRGKRZSA-N 400.370 0.878 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 550948008 CYKQJFHCNTYSMY-UHFFFAOYSA-N 421.523 0.253 30 20 HCED CCc1nc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 552555139 JLKKXZIRHFZMAA-UHFFFAOYSA-N 415.523 0.627 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)CN1CCOCC1 552881476 ZALBHNNZONROGH-MRXNPFEDSA-N 417.485 0.430 30 20 HCED COC(=O)CCc1nnc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 555029501 BYGJTXYVHLNENI-UHFFFAOYSA-N 409.449 0.432 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN(C)c3ccccc3)CC2)c1C#N 574825654 IXKZCSGKSZPEOY-UHFFFAOYSA-N 409.494 0.501 30 20 HCED Cc1nnc([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 575211369 NRTLWJLVWXPBSR-XHDPSFHLSA-N 412.475 0.813 30 20 HCED CN(CC(C)(C)CN1CCOCC1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 584382315 ORLJMFPPCKMSDC-UHFFFAOYSA-N 408.524 0.653 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@H]3CCO[C@@H](C)C3)CC2)c1C#N 588819061 KJDSYXIKFDMUSM-HOCLYGCPSA-N 402.499 0.570 30 20 HCED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866584 MSKXWQOMMCGTLP-CJNGLKHVSA-N 407.434 0.365 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609880920 NBQRWHDBUDTNPX-ICSRJNTNSA-N 411.506 0.576 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(C#N)nc3)cn2)C[C@@H](C)O1 610194920 VENMIMZCODRPRP-BETUJISGSA-N 404.452 0.586 30 20 HCED COCCN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 611360353 XGGBZTJRMHLFSQ-KRWDZBQOSA-N 421.523 0.767 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 615050252 VZDRXLQYNNLVHI-QGZVFWFLSA-N 404.471 0.075 30 20 HCED CN1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 615634899 MGPFITSTCNSMJX-HXUWFJFHSA-N 403.458 0.715 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 725713480 HVMUWYUAZDIXLW-UHFFFAOYSA-N 424.498 0.954 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O 726043733 RAINYOZFANCAPE-LBPRGKRZSA-N 403.391 0.851 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 728530731 PXOGYIGJIDFTBN-UHFFFAOYSA-N 406.527 0.917 30 20 HCED C[C@@H]1Oc2ccccc2N(CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1=O 732908748 QLBZQBFYYLKEHH-UONOGXRCSA-N 419.459 0.156 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 733161317 NAXYDQAJIABJPO-UHFFFAOYSA-N 404.536 0.079 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 742289986 CTRVLCKZTYZMDZ-CQSZACIVSA-N 412.487 0.545 30 20 HCED C[C@@H](CC(=O)NC1(c2nn[nH]n2)CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742687818 OPGLRNJXNGCWHI-NSHDSACASA-N 403.468 0.603 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 753469150 ZECVRUDRJIZHBK-OAHLLOKOSA-N 416.521 0.475 30 20 HCED C[C@@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 754236423 IVJLAMNHQFTSIR-ZDUSSCGKSA-N 415.537 0.835 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)O1 758660461 FKAUAIDJQGVNCJ-XGUBFFRZSA-N 409.487 0.680 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nc3cc(S(=O)(=O)CC)ccc3o2)CC1 766051156 AATKMYHSFNXCIP-UHFFFAOYSA-N 404.492 0.488 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cccc(OC3CCCC3)c2)c(=O)n(C)c1=O 771890084 NMGNPWZJNALGSA-UHFFFAOYSA-N 406.464 0.718 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(CN2CCOCC2)n1)c1cc[nH]n1 772518987 BFCQNNZWARURLQ-UHFFFAOYSA-N 416.438 0.559 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NOC2CCOCC2)c1 773634385 QNTJWKHVSFADAF-LTGZKZEYSA-N 424.479 0.665 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)N(C)C 777445952 ZNAJEDCCAJGPCQ-CQSZACIVSA-N 409.512 0.671 30 20 HCED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 779369669 XGELDPXSKZIKFK-URWVEQFTSA-N 412.490 0.998 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CC2CC2)c1 783913890 PMFDFAKKBLLDPF-HEHNFIMWSA-N 422.507 0.669 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 785719525 NTHYHOQKEHFYOX-SJORKVTESA-N 402.451 0.627 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 788421763 ZLBCACKSJFNMJX-HNNXBMFYSA-N 408.499 0.747 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 789359774 ZWRYYOHFPWKSQB-GOSISDBHSA-N 404.536 0.802 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)[C@H](C#N)C1 798338918 JTJQURMMXYIPDZ-QMTHXVAHSA-N 412.443 0.962 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@H](C)n2cnc(C#N)n2)CC1 798393772 GIETXKMHALIHDP-ZDUSSCGKSA-N 405.459 0.344 30 20 HCED CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Cc1cccc(OCC#N)c1 810519561 RYKAYXVVXZBMJG-UHFFFAOYSA-N 402.432 0.733 30 20 HCED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813982453 JVDNWTRMBOPAFY-DIFFPNOSSA-N 405.436 0.259 30 20 HCED CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 815806505 PRXVSHQIEVAKGL-OAHLLOKOSA-N 414.397 0.496 30 20 HCED C#CCN(C)CCCNC(=O)c1cc(I)ccc1-n1cnnn1 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30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839381376 PVFWTOADCAECSW-OAQYLSRUSA-N 411.462 0.913 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1839806366 MSFUKLIHQNDCLA-FQEVSTJZSA-N 409.483 0.379 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1839838408 NDUKQORIHIZINT-UGSOOPFHSA-N 409.512 0.862 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1)C(F)(F)F 1839891951 ISVRGOGXMLZTMX-MRXNPFEDSA-N 402.373 0.609 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1)C(F)(F)F 1839895378 YYRBIASTMAHULU-CFAJVAMVSA-N 404.385 0.454 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043625 KOTNFUAAQJSFCM-OAQYLSRUSA-N 411.414 0.025 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840163316 GESMCYNUBXXSMG-BFUOFWGJSA-N 422.482 0.862 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840166741 ZKJYDAUBSIYPNE-OAQYLSRUSA-N 401.463 0.259 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840564547 CSLWKBLFHQXCDP-HSZRJFAPSA-N 413.518 0.835 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(CC#N)cc1)C2 1841582893 FWFFLVYCHZPMBE-HNNXBMFYSA-N 418.519 0.897 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1841597888 AQMQIQKKPPXNNW-CABCVRRESA-N 409.483 0.114 30 20 HCED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)C[C@@H]2NC(=O)NC2=O)C1)c1ccccc1 1841960449 ZRMYKTFLGAQDIN-ROUUACIJSA-N 422.485 0.985 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1845255810 SHNNAYOJJYSUDD-CQSZACIVSA-N 419.438 0.761 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nnc2ccccc21 1847259022 STNOBGFPBPNZEJ-OPDSQHBBSA-N 408.462 0.492 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)n1cnc2c1c(=O)n(C)c(=O)n2C 23295688 NYEPBNSFCCUPSS-CYBMUJFWSA-N 410.434 0.950 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 27949044 YEYCGROYRHTEGU-OAHLLOKOSA-N 412.537 0.841 30 20 HCED CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)N1CCOCC1 32934876 OYZCTGMAPIFDAS-SFHVURJKSA-N 408.524 0.965 30 20 HCED CN/C(=N/Cc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)NCCN1CCOCC1 304714754 MWYRWFPYOZVYLV-FQEVSTJZSA-N 416.570 0.381 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 409521497 MMFKMGXHSHRVLG-UHFFFAOYSA-N 416.525 0.482 30 20 HCED C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 430231722 ZEJLKDGZZXMBEM-WCQYABFASA-N 414.853 1.448 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccs3)CC2)c1 438164489 IQUGMSPYEYQBAO-UHFFFAOYSA-N 420.520 0.825 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1=O 440287052 ZEBJOTSVHGNTEK-ZDUSSCGKSA-N 415.418 0.552 30 20 HCED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 446511800 INXFAUJCKDKZIG-UHFFFAOYSA-N 410.887 1.235 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 464032049 BYRMEIQZROJDSB-UHFFFAOYSA-N 403.439 0.597 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)C1=O 465353631 DRQVITFCQNCHLY-SMDDNHRTSA-N 414.418 0.950 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccccn2)c1 476195021 HZQODTYCPYEMFS-UHFFFAOYSA-N 402.476 0.982 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)C1=O 476762565 DARIPVAATORQCW-UHFFFAOYSA-N 400.435 0.714 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)C1=O 478144018 YRHVUWTVXZZHIY-CYBMUJFWSA-N 413.390 0.437 30 20 HCED Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)ccc1C#N 480462159 KWOHQLDMSGXJHY-UHFFFAOYSA-N 403.420 0.100 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CN3CCC[C@H](C)C3)CC2)c1C#N 481878468 FCMNUHZMZDFROJ-JKSUJKDBSA-N 415.542 0.485 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C#N)cs3)c(=O)n2C)CC1 481975930 IQJPWFRVJNXHJW-UHFFFAOYSA-N 413.528 0.047 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cnn(C)c2)CC1 482513509 QVIRSGKCMJARPC-AWEZNQCLSA-N 402.480 0.307 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 489201260 MFVVSRURNAWXCP-ZWKOTPCHSA-N 418.519 0.837 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc21 490055639 ATHKIAQTRNCVOI-CQSZACIVSA-N 413.459 0.986 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N(C)C(C)=O)c2)CC1 491172393 QWMYZNNLLDALEV-UHFFFAOYSA-N 401.467 0.054 30 20 HCED N#C[C@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 494438495 GHOJAXUXUMGLBO-JTQLQIEISA-N 413.399 0.440 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 499759529 HIMQSYHRTDOMGZ-ZDUSSCGKSA-N 406.505 0.762 30 20 HCED CN(CCC#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 502340439 JLLJLQZPOCGKHT-UHFFFAOYSA-N 416.525 0.028 30 20 HCED C=CCc1ccc(OCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(OC)c1 503116389 BMHKPWZVZGWXDU-IRXDYDNUSA-N 424.519 0.417 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)cc1 506696330 GCZBYJPONIYQRB-GDBMZVCRSA-N 422.507 0.375 30 20 HCED CCOC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1 511659042 OLLDJEDQLDQZLA-MAUKXSAKSA-N 423.491 0.653 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 511740395 GVOJTRUJPDOVNI-CQSZACIVSA-N 408.480 0.824 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)nc1 517329893 RNWPUYCFVKNBDF-UHFFFAOYSA-N 416.445 0.880 30 20 HCED Cc1ccc(C(=O)NCCc2cccc(C(N)=O)c2)cc1S(=O)(=O)NCC#N 518215960 DDDOSGAASLIOON-UHFFFAOYSA-N 400.460 0.868 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 523132164 PFNHOHFPXCYLOH-LBPRGKRZSA-N 405.407 0.590 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OC(F)F)c2)c1=O 523733982 FBFXNSODTUVHFL-UHFFFAOYSA-N 423.441 0.797 30 20 HCED Cc1cc(=NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)[nH]n1-c1cccc(F)c1 538483840 FWKZHPZLUOPSJB-UHFFFAOYSA-N 410.413 0.606 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 539271064 RPVTUDSJRQYLJI-ZDUSSCGKSA-N 413.496 0.575 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CC#N)CC2)cc1 541972119 VOTOYELTGQFTCZ-UHFFFAOYSA-N 408.480 0.702 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 543263086 UFZLWXFCBFDSHR-UHFFFAOYSA-N 404.467 0.749 30 20 HCED COC(=O)[C@H](C)Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 545372907 RMHDKXFYXPCKTB-GFCCVEGCSA-N 412.450 0.903 30 20 HCED CN(CC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)S(=O)(=O)c1ccc(C#N)cc1 549143021 SDNNSLWYRUWPCV-LPHOPBHVSA-N 421.519 0.863 30 20 HCED CC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 550121103 USUKNPZPDVRDOK-SFHVURJKSA-N 411.462 0.297 30 20 HCED CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 551224502 LLDBHKFXMYVJHM-UHFFFAOYSA-N 400.254 0.953 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3cnccc3=O)CC2)cc1 553268688 WMBIYHFFZWRDLH-UHFFFAOYSA-N 401.448 0.038 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 553734105 JISWOUOUYDWXKS-QGZVFWFLSA-N 406.508 0.944 30 20 HCED CCCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 555769339 JBXBXYUGMFFOML-LJQANCHMSA-N 411.506 0.766 30 20 HCED Cc1cc(=NC(=O)C(=O)N=c2ncn(Cc3ccc(Cl)cc3)[nH]2)[nH]n1CCC#N 562133283 KPTVZFKACQKUDJ-UHFFFAOYSA-N 412.841 0.819 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 567313573 BNKWXKWRYZYTBM-OAHLLOKOSA-N 404.496 0.874 30 20 HCED COC[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 572654449 DTXGMZXHJKEGSB-AWEZNQCLSA-N 401.510 0.477 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)C1=O 577987513 KOBNVVZEMXRLFB-JKSUJKDBSA-N 402.499 0.059 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1 579781800 VQUHJXMDKJCDEI-INIZCTEOSA-N 404.473 0.598 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 580136798 NZWUYBAUCMEERP-UHFFFAOYSA-N 403.402 0.753 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCn4ccnc4C3)C2=O)cc1 580974775 WIESTARKLSIBND-NVXWUHKLSA-N 406.446 0.498 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 588127315 BZURAOXKZNYLIV-IBGZPJMESA-N 415.563 0.824 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccn2)c1=O 603793672 VQFYJHOHRCZIOF-UHFFFAOYSA-N 409.515 0.158 30 20 HCED COCCNC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 609412547 XJRXVXIVDIJEHH-UHFFFAOYSA-N 422.507 0.412 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1-c1ccncc1 611545861 CTROMEQLPPMOEJ-CQSZACIVSA-N 417.433 0.605 30 20 HCED CCOc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1S(=O)(=O)N(C)C 615632588 HFXGSQUHBIJJTP-KRWDZBQOSA-N 412.443 0.738 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730407258 FHFUSZQRILFDTN-CQSZACIVSA-N 412.855 0.144 30 20 HCED CNC(=O)CNC(=S)NN=Cc1cc(I)c(O)c(OC)c1 731930249 VHSZLBZOOUPSGB-UHFFFAOYSA-N 422.248 0.549 30 20 HCED CN(C)CCOc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732444294 KQZAFJIASUTFHD-HNENSFHCSA-N 401.467 0.953 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CCN(C)CC1 732798017 VRKYCOVPUNJVCD-UHFFFAOYSA-N 414.535 0.203 30 20 HCED CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743726255 KUYWUVMEZLPSQJ-UHFFFAOYSA-N 418.519 0.517 30 20 HCED CCN(C)S(=O)(=O)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 744242095 UAPVXVXIDUFKNZ-ZDUSSCGKSA-N 416.525 0.453 30 20 HCED Cc1nncn1CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 746604653 OJLGFFIJVWRTAI-OAHLLOKOSA-N 404.496 0.856 30 20 HCED CCN(C1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1)S(C)(=O)=O 749729011 VBGDCFRFWLMDFU-UHFFFAOYSA-N 408.480 0.800 30 20 HCED C[C@H](C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)n1cccn1 754387549 VIJKHXVOJGIBLV-CABCVRRESA-N 404.471 0.874 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(CC)s2)c1=O 758067001 FEZDXBIDHOECGC-UHFFFAOYSA-N 415.540 0.823 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)[C@H](C#N)C1 758365225 TZYSDZAABGGIJF-UKRRQHHQSA-N 423.495 0.892 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758776663 ZBYFHUNQJSIEFM-KBPBESRZSA-N 415.516 0.422 30 20 HCED COc1ccc(CN(CCO)C(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 759720110 URQWWTJBZRGJCV-FMQUCBEESA-N 403.435 0.941 30 20 HCED CCOC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759951504 VMOQILVAJZFQEX-KRWDZBQOSA-N 423.491 0.590 30 20 HCED COc1cc(/C=C\C(=O)c2cnc(O)n(C)c2=O)c([N+](=O)[O-])cc1OCC(=O)O 761811986 KTHOVDBLSPDDLG-ARJAWSKDSA-N 405.319 0.762 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CCO2)c1 762010239 FEOGQMLYMNIIJS-GOSISDBHSA-N 408.414 0.961 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766500761 GSEONTZGSPUDJN-MSUUIHNZSA-N 417.403 0.948 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 766986059 MGCUQCLLPIUSPM-CABZTGNLSA-N 405.354 0.829 30 20 HCED CCOC1CC(CNC(=O)NCCNc2ccc(C#N)cn2)(N2CCOCC2)C1 767780214 QHNNAGAYVJOYMF-UHFFFAOYSA-N 402.499 0.934 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 769215683 KFOMPRLFQBRYDX-UGSOOPFHSA-N 406.464 0.823 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cccc(C(=O)N(C)C)c1)c1cc[nH]n1 770836444 YACCZRIFLQGOQK-UHFFFAOYSA-N 401.423 0.712 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(OC[C@H]2CCCO2)CC1)c1cc[nH]n1 772337984 DPYRQMZEUSQDRG-OAHLLOKOSA-N 408.455 0.880 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1F 774832060 ZWCIIZJTCLGLFG-HIFRSBDPSA-N 413.471 0.656 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 783479155 ATDNTEBHFMROIY-KRWDZBQOSA-N 400.460 0.519 30 20 HCED Cn1cc(S(=O)(=O)NN=C2C[C@@H](Oc3ccccc3)C2(C)C)c(=O)n(C)c1=O 789037850 MENFHIKVPDLFJM-OAHLLOKOSA-N 406.464 0.596 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1C(=O)NCc1ccco1)c1cc[nH]n1 789958084 NNBUPBIRAHBPFO-OAHLLOKOSA-N 417.422 0.594 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)nc1 806838539 FHRAJRSZYAWBCX-UHFFFAOYSA-N 424.392 0.913 30 20 HCED COC(=O)C(C)(C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 807045638 ZEJNOMUBJALVJF-KGENOOAVSA-N 424.479 0.506 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 808451644 OOXKMBKHDGTLSZ-BPUTZDHNSA-N 404.492 0.488 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 916942920 PSYDWCMVCXYSFZ-BJIFSAINSA-N 424.413 0.621 30 20 HCED CC(=O)NCC(=O)NCC(=O)O[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 919507510 NSVLAMXXTJCCPB-HNNXBMFYSA-N 402.451 0.734 30 20 HCED C#CCC1(C(=O)N(C)[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2O)CCOCC1 1048945901 MFFVDZCBJRPBHM-LYPURALISA-N 402.491 0.260 30 20 HCED CS(=O)(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1137128805 ZKHUNEMCULJLPT-QGZVFWFLSA-N 421.500 0.739 30 20 HCED N#C[C@H](C(=O)Nc1ccccc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1263375072 FFQMRGINXYIJFS-KGLIPLIRSA-N 402.432 0.499 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1315044340 ZMAKXZBUAKKABV-HNNXBMFYSA-N 402.480 0.576 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1315067080 JKJKQMLNGQOGND-OKILXGFUSA-N 404.496 0.980 30 20 HCED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@H](C#N)C1 1318300421 KTNJQLYOZJXQNH-DOMZBBRYSA-N 413.883 0.624 30 20 HCED C[C@@]1(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)NC(=O)NC1=O 1319064441 HJTHUPYDXFWBEC-IBGZPJMESA-N 418.475 0.310 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 1323974851 SYNDKSNXYTXFDL-CABCVRRESA-N 410.496 0.581 30 20 HCED CCCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547246859 DJTJBPFWELLWTN-MRXNPFEDSA-N 414.514 0.217 30 20 HCED CCCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547261054 PUDYQUKWZAZPJM-UHFFFAOYSA-N 412.498 0.934 30 20 HCED CC1=C(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](C)n2nnnc2N1C 1568505495 UPBLMIZKHJECDB-CZUORRHYSA-N 406.450 0.747 30 20 HCED N#Cc1cc(F)c(N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1Br 1650940762 RZSMMNHTWRGASK-HUUCEWRRSA-N 418.288 0.740 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1663879467 YRUDFGLENLLLET-OAHLLOKOSA-N 407.540 0.952 30 20 HCED CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1708921825 STAUDEVMHJNMGI-MRXNPFEDSA-N 404.496 0.785 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2COCCO2)C1 1741983537 KKVXDEFOQHCSQL-IIDMSEBBSA-N 409.512 0.726 30 20 HCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1745879508 ZBRJECQYKPKCQR-ZDUSSCGKSA-N 411.532 0.497 30 20 HCED COCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1771078334 JJHWAPZPAAGMEE-OAHLLOKOSA-N 414.470 0.232 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1771537747 UUFJUOMZIIKWOM-ZIAGYGMSSA-N 403.468 0.289 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4nc5ncccn5n4)C3)C2)c1 1777830452 CBTPRLSKQGNMBV-NRFANRHFSA-N 417.429 0.753 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778665544 QPWWCZQGXNXFMD-QEVIJRNUSA-N 413.478 0.131 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccnc1 1779015053 OVIGJRHZIOTEKX-NXOUIPOBSA-N 402.499 0.746 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc(C)[nH]n2)C1 1779457605 RETFIEBVJCENRF-HGHGUNKESA-N 402.495 0.813 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1780390563 HTVCNHHJJGCHAW-NRFANRHFSA-N 410.430 0.725 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781859419 CWWPKCYBFSXHKE-BXTJHSDWSA-N 411.499 0.872 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)[S@](=O)c1ccccc1 1783565200 KAXMOKAMXKPEIW-BOJHJPPOSA-N 418.471 0.101 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]21 1784489427 NDBPBLGFOQSUJJ-ULQDDVLXSA-N 409.483 0.401 30 20 HCED Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)CC#N)C[C@@H]43)nc2s1 1784848973 SWRJQYVUXYJEND-QEJZJMRPSA-N 402.480 0.535 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1785594800 ZANHSYDWRMOOKA-VOBQZIQPSA-N 408.499 0.244 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccn4cn3)[C@H]2C1 1788075171 AAYYETSCSBQQBN-JMVFIXPQSA-N 410.474 0.966 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)c3ccccn3)[C@H]2C1 1790588067 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C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1)C2 1800450980 SNSULSDOKHWGAH-RCJHGTSTSA-N 405.495 0.903 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1800544470 BVJVCBRHVODZDW-NEBZKDRISA-N 414.478 0.814 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1 1800713689 LXJNSXLHVQRFDQ-ICDONNSOSA-N 423.485 0.948 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806858891 OSQZZUZWDFEULX-DOTOQJQBSA-N 414.535 0.875 30 20 HCED CN[C@H](CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)C#N)[C@@H]1c1cccnc1)C(=O)O 1807197830 SCQXJUKDMPCIRV-BFYDXBDKSA-N 401.467 0.700 30 20 HCED C=CCC(=O)N1CC[C@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809680087 URAFLNKHRAYCDZ-KNQAVFIVSA-N 413.522 0.828 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CCC(N)=O)[C@@H]1c1cccnc1 1812626640 OKBUKDIOVHUELT-SAJDBWTASA-N 413.478 0.211 30 20 HCED CC(C)n1cnc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812876926 BSPRFSJCJWZRPN-CRAIPNDOSA-N 410.434 0.662 30 20 HCED COc1nccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)c1F 1815824207 RHANYLGWSVZZFS-SECBINFHSA-N 418.406 1.000 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCc2nc(N)n[nH]2)n[nH]1 1819282173 POBNGPINMDEKDF-JSGCOSHPSA-N 414.470 0.773 30 20 HCED COC(=O)CSCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1824518143 YWUQKSLHGPCPTR-OAHLLOKOSA-N 410.492 0.600 30 20 HCED COC(=O)CSCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661227 LCRBVLGIODAUCS-VIFPVBQESA-N 411.461 0.049 30 20 HCED Cc1nccn1[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1827043106 IWKCSNMRRCTJNB-JQWIXIFHSA-N 401.448 0.909 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCCCC3)C2)C1 1829765181 KYNNHCGRVQAZCK-FMFFHWJCSA-N 419.522 0.882 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)c(O)c1)CCO2 1830247582 HNDRQDISJZJSLN-NRFANRHFSA-N 404.463 0.976 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830773142 RLWDDBGSZJEFJF-LVCYWYKZSA-N 424.542 0.728 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1831391202 KBGJZGXDXVBOFC-LAUBAEHRSA-N 408.495 0.298 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)cn3)C2)C1 1831397216 VZUVTXIGOBGOEL-YWZLYKJASA-N 421.881 0.843 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1831432314 KDYVQUOKHGEPRB-MGPUTAFESA-N 420.466 0.146 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CCN2C(=O)C=CC2=O)CC1 1831664757 HRDIPWVBMZVDST-INIZCTEOSA-N 415.446 0.009 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1833091299 DPBPKAZKNDNSHY-QFIPXVFZSA-N 423.473 0.833 30 20 HCED Cn1nncc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833234522 BNVWVBNDPDZBHX-FQEVSTJZSA-N 410.434 0.071 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1833850863 ATFVIMAYEPYNGT-XWRADEMYSA-N 417.510 0.567 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1835101385 ARNDJNPSDZKCEI-WKHFQEMYSA-N 410.470 0.387 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c[nH]nc45)C3)C2)CC1 1835341943 FMPVOQUCBUGRBA-NRFANRHFSA-N 409.446 0.937 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1835617484 XXMCFHDVHJTXDI-FQEVSTJZSA-N 403.483 0.344 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1837398528 CYWVWEFVIUFACX-IIBYNOLFSA-N 421.469 0.864 30 20 HCED Cc1nc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)co1 1837561419 KAVJHVKFVXLQGV-JFOGYLRVSA-N 416.434 0.765 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(OC)c1)CCO2 1837980466 AOXWWSDJXORFTG-OAQYLSRUSA-N 401.463 0.964 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838095113 MPSCRYPSZPGFJO-JXFKEZNVSA-N 419.482 0.656 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)CCO2 1838271883 FMHJAFMJBQNNHV-FQEVSTJZSA-N 422.551 0.972 30 20 HCED CCn1nc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cc1C 1838488664 MFACFBLZSOUWLE-UHFFFAOYSA-N 416.478 0.912 30 20 HCED CC[S@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838737303 NSKJNPQQJLNHSG-XBBWARJSSA-N 422.507 0.115 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1839226824 FFXMFTSNWXOYFN-QRWLVFNGSA-N 423.466 0.643 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1839843317 XSDIALUDGFFNAK-YRNRMSPPSA-N 410.515 0.363 30 20 HCED C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1839932270 PNAULPKELHGIBG-JTSKRJEESA-N 414.458 0.725 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840020858 OWHMTPJIMMUZPK-QRWLVFNGSA-N 406.866 0.529 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)CCC1 1840812851 PBXHNJSONMDAAS-GOSISDBHSA-N 405.480 0.489 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1840840298 KCGLFWOXNAIVRH-UGKGYDQZSA-N 414.458 0.696 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)CCO2 1840910886 PWHUCWFWSMIPNX-IERDGZPVSA-N 423.510 0.769 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccnn1CCOC)C2 1841054595 UJLPQRMBNLGJHD-WAYWQWQTSA-N 401.467 0.205 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1841747837 OFGJZWDWCVOFHP-JYJNAYRXSA-N 422.526 0.382 30 20 HCED O=C(NCC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)c1cccnc1 1841969680 FDBIYUPEUIZPMA-FOKLQQMPSA-N 409.446 0.727 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1844656533 BUWIZLDWYGMDFO-AWEZNQCLSA-N 414.466 0.949 30 20 HCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1845201954 UCLAAIUSDBLUBE-AWEZNQCLSA-N 423.514 0.718 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H]3C[C@H](O)[C@H](C3)N2C(=O)OC(C)(C)C)C1 1846203643 YDDAMSBBPFDACA-JKQORVJESA-N 403.479 0.582 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)OC)C1 1846513498 SOEAQVRQUNXLMK-AWEZNQCLSA-N 422.482 0.462 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1847827031 WOQFJSACDUFWRH-TUUVXOQKSA-N 405.524 0.751 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3C)CC2)no1 60629599 RYVIETAAGSXCDI-UHFFFAOYSA-N 410.434 0.885 30 20 HCED CCN1CCN(Cc2ccccc2CNS(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409571917 BURPXQSRNQIOFZ-LJQANCHMSA-N 407.540 0.383 30 20 HCED C[C@H]1CN(Cc2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 409598457 OKZSSKVWKLKTOC-FCEWJHQRSA-N 408.524 0.855 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 410156724 GAHYWKXRQKXPQM-HNNXBMFYSA-N 410.562 0.085 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 437062848 NVTQGZHLYSSTON-PBHICJAKSA-N 400.435 0.774 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)C1=O 440274545 HNFHAYWIRCNLKE-CQSZACIVSA-N 415.479 0.568 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2)c1 444527984 MIRZOSDVVZPQJA-CQSZACIVSA-N 412.450 1.148 30 20 HCED CCO[C@@H]1C[C@](CO)(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 444569862 KDVHOZKQBZHJFJ-URKNILKWSA-N 409.508 0.907 30 20 HCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2NC1=O 446526467 KVWGFDREPGSGHY-AWEZNQCLSA-N 415.450 0.419 30 20 HCED Cc1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)nc2c1c(=O)n(C)c(=O)n2C 461740993 NPORDLCARIFDBW-UHFFFAOYSA-N 405.414 0.716 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC(S(C)(=O)=O)CC1 465282320 CSYZKFBOARXPFN-NFOMZHRRSA-N 406.512 0.924 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 465488348 DHHYDZDQUACBGH-CYBMUJFWSA-N 412.475 0.534 30 20 HCED N#C[C@@H]1N(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCC[C@]12CCCCO2 468636758 DSPWDEKTHKZXNW-HEYBIDHVSA-N 401.463 0.993 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H](C)CC#N)CC2)cc1OC 468872963 GXPMPCZVLDQGOR-OAHLLOKOSA-N 424.523 0.771 30 20 HCED C[C@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 468970210 MRTQRNDATXJDAE-CQSZACIVSA-N 409.468 0.662 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c1 469431631 HVGCYTMGRFKPIT-UHFFFAOYSA-N 415.537 0.647 30 20 HCED C=CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 475263106 IISSNTIAHUBYIR-GASCZTMLSA-N 403.483 0.882 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC(C#N)CC3)cn2)C[C@H](C)O1 475682235 PEFANLMFVKJFPF-KBPBESRZSA-N 402.455 0.220 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)s2)c1=O 477009936 HYZUGTMXAGCQSN-UHFFFAOYSA-N 407.517 0.656 30 20 HCED CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H](C)CS(C)(=O)=O 497047878 MMCMAVDXHQMQCS-ZDUSSCGKSA-N 401.510 0.692 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 497327580 PHALWJBEWQLORR-JSGCOSHPSA-N 411.505 0.732 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 498416131 WRBGBJLQCJCYRQ-UHFFFAOYSA-N 406.552 0.957 30 20 HCED CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](C)CS(=O)(=O)CC 499051486 GVTTYAIIXDUCTH-AWEZNQCLSA-N 411.528 0.648 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 501590798 CPGLLMBMQXEMLX-OAHLLOKOSA-N 423.495 0.970 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccnn3C)CC2)c1C#N 505667848 WLMKSOQCRJLQKW-KSSFIOAISA-N 410.482 0.202 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 506962001 UXTXGSSXZJFQIV-UHFFFAOYSA-N 407.452 0.236 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1(S(C)(=O)=O)CC1 508005833 NJBUOGNQCZGBMF-NSHDSACASA-N 419.438 0.903 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 510148837 RACRZEUVHMFNFM-SJLPKXTDSA-N 405.524 0.888 30 20 HCED CC(C)(CCCO)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 510443511 LKSHUOGKUTWZQH-KRWDZBQOSA-N 400.479 0.690 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1 514639366 OZZHIUUNSCTBDR-CHWSQXEVSA-N 408.480 0.967 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 516040088 LMHKTROSFRAESE-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CCN1CCN(CCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 521872527 PXJBRPBEQLCKFD-UHFFFAOYSA-N 407.540 0.554 30 20 HCED N#Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 522581562 SPRIOEBBFSFXNI-UHFFFAOYSA-N 404.404 0.940 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 531369845 GUANAWOACDCMLC-UHFFFAOYSA-N 400.485 0.447 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCCn3ncnn3)c2)c1 537008683 NPHQHXWQGQJTGG-UHFFFAOYSA-N 418.413 0.614 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(N3CCNC3=O)CC2)CC1 539413675 QPCBSOYMYOQGRX-QGZVFWFLSA-N 416.551 0.947 30 20 HCED Cc1nc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1-c1nc[nH]n1 540320228 HCIGVIMWCXQUSD-UHFFFAOYSA-N 417.437 0.696 30 20 HCED COCCOc1cccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 551149552 HYNVJUIGWFMVJY-UHFFFAOYSA-N 423.473 0.943 30 20 HCED Cn1c(=O)oc2c(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cccc21 560053097 QUEOWBLRFSBUBP-UHFFFAOYSA-N 406.402 0.685 30 20 HCED COCC[C@H](C)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 560964197 RNVOLUPSFWMSDO-ZDUSSCGKSA-N 401.423 0.996 30 20 HCED Cn1cc(CCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 561146021 DPHGEELQFCHKIY-SFHVURJKSA-N 408.462 0.258 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 576314860 HWEOKQZIFXCRIW-BXAPWLEFSA-N 409.527 0.470 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2csc(C(C)C)n2)CC1 577201538 TUWFHKMAOJJXIT-UHFFFAOYSA-N 407.540 0.372 30 20 HCED COCCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 589921409 KGUSOLNJFQHMGN-UHFFFAOYSA-N 419.551 0.817 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604138985 SFKIMHCNKVDECZ-UHFFFAOYSA-N 403.420 0.349 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2cnccn2)cc1 606104910 IBXWIQWJZNSVOI-UHFFFAOYSA-N 418.479 0.450 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 608984692 QBTQPGVVZPLUKP-INIZCTEOSA-N 406.512 0.645 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 674453681 VWYWZCLYUWSNPP-AUUYWEPGSA-N 420.491 0.601 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cn1 729031488 KETACMHZQMAMAD-UHFFFAOYSA-N 418.409 0.594 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c1OC 729435365 WGEBIZKIFJLRKA-CYBMUJFWSA-N 407.452 0.405 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 746616151 GJXPKRTUGOXHHQ-AWEZNQCLSA-N 422.507 0.211 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)cc3cccnc23)CC1 747276439 CGHWGXIUSNVRCH-UHFFFAOYSA-N 400.504 0.989 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NN=C2CCN(S(C)(=O)=O)CC2)nc1 747628369 OFPRVLQJJDUXOD-UHFFFAOYSA-N 403.530 0.935 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)CC1 747993753 QSYPFLJHNVVDDP-UHFFFAOYSA-N 412.490 0.999 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)CC1 748822559 DXTUPPZTPLNQSS-QGZVFWFLSA-N 404.515 0.062 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](C)(O)C2)cc1 749771220 CFSCDCOMVPTYDK-CTBJKRMSSA-N 408.480 0.421 30 20 HCED CCCCNC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 750977376 MFXRXFSQEBKJOW-UHFFFAOYSA-N 409.468 0.689 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCc2ccc(S(N)(=O)=O)cc2)cc1 767546336 NGANPLNFAGYPBR-UHFFFAOYSA-N 422.484 0.645 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2nn(CC)c3ccccc23)c1=O 769885497 LWXLXWAKKLCHFY-UHFFFAOYSA-N 417.494 0.718 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2cc(C)on2)CC1)c1cc[nH]n1 770824508 TZWIUOXNQFQVSK-UHFFFAOYSA-N 404.427 0.334 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(Cl)c3cccnc23)c(=O)n(C)c1=O 771891274 LIIPHNUTHOZULX-UHFFFAOYSA-N 407.839 0.598 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(-c3cnn(CC)c3)c2=O)cn1 772301849 DGIDDICKUSKNRB-UHFFFAOYSA-N 423.502 0.442 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 773315403 QGFOJJABCOGICZ-OAHLLOKOSA-N 423.491 0.242 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)c1 777771028 BHIKYIFHCKJLMO-HNNXBMFYSA-N 407.492 0.308 30 20 HCED COCCCS(=O)(=O)NCC(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778823119 AFHNIBMIUOOEMC-INIZCTEOSA-N 409.464 0.553 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1)[C@@H]1CCS(=O)(=O)C1 783480547 RSLOIUCHZIVAOI-OAHLLOKOSA-N 400.460 0.768 30 20 HCED 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BUYBSMRRGXFICO-UJHHAPNZSA-N 410.467 0.047 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)O1 1837563519 OARWTDVMAXPSMZ-JQKIVAFZSA-N 419.478 0.722 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837651835 GRODCAOSWHOGCA-GOSISDBHSA-N 408.842 0.484 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837747890 YLRDBIFQILWUPI-DOXZYTNZSA-N 408.524 0.657 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839530882 OMMHLAYOYSOPHH-HRAATJIYSA-N 418.494 0.490 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(N(C)C)c3)C2)C1 1839809849 OBZXIYFLWKMDBN-NRFANRHFSA-N 401.463 0.464 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1839890099 HCNRJJRHBXWZEN-DYVFJYSZSA-N 403.426 0.179 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839890567 GXWGHPPZOIKMPV-QGZVFWFLSA-N 413.425 0.336 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C4CC4)c3F)C2)C1 1840159358 ZOEYLXOTPJWTRF-VOJFVSQTSA-N 412.487 0.815 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1840170199 PUDBTXRVUCANNH-NRFANRHFSA-N 400.479 0.703 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1840173315 PSJQRBPDPAAHLE-LJQANCHMSA-N 406.439 0.344 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455689 HKVMGNLUVBMFCF-UWJYYQICSA-N 418.494 0.457 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)CC(=O)N3)C1 1844004545 YKKCJBMADKCRFB-SREVYHEPSA-N 408.458 0.857 30 20 HCED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)Cn2cnc(C#N)n2)c1C(=O)OC 14144086 RYTWDAGWOOFYCA-UHFFFAOYSA-N 421.391 0.139 30 20 HCED CC[C@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)N(CCC#N)CCOC 409483655 HUSNHUYHSIQBBK-OAHLLOKOSA-N 403.526 0.935 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 409554528 FVVBDHLFQPVGTM-ZDUSSCGKSA-N 418.516 0.905 30 20 HCED COc1ccc(Cl)cc1N1CC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 410145813 PEEQZFWPJGIQTJ-ZIAGYGMSSA-N 400.888 0.986 30 20 HCED COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)N3CCO[C@H](C#N)C3)C2=O)c1 410152989 FZRYHTKUJUFBNP-SJORKVTESA-N 424.479 0.210 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 410157201 XGQNCZANADAJKR-CALCHBBNSA-N 402.561 0.914 30 20 HCED Cc1cc(=NC(=O)[C@H]2CC[C@H](C(=O)N=c3cc(C)n(CCC#N)[nH]3)O2)[nH]n1CCC#N 428034204 SHOMXZFPUANJDQ-HZPDHXFCSA-N 424.465 0.492 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)C1=O 439364563 ZXPSWKIWCNDFJV-INIZCTEOSA-N 402.451 0.769 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)cc1 442107640 FPHYQXKUSKGZHP-HOTGVXAUSA-N 424.475 0.718 30 20 HCED CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443297863 OFHPHRAGZYQGDG-UHFFFAOYSA-N 400.357 0.968 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(C)c2)C1 443906650 QZXXOURUKIPRKH-QGZVFWFLSA-N 415.537 0.928 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 467141392 XIQZPWXFGYNMAC-BPUTZDHNSA-N 408.418 0.878 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(CCN(C)C)CC3)CC2)c1C#N 472112247 GAHRORUYGKLBKX-UHFFFAOYSA-N 402.547 0.458 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2CC)CC1 474328294 FVVUXCBMVKTECC-UHFFFAOYSA-N 411.531 0.300 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccccc2C#N)CC1 477506444 VCJBPYOFIDAJFP-UHFFFAOYSA-N 400.526 0.292 30 20 HCED COCCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 477627162 ONTYKFAKAWQOHH-HXUWFJFHSA-N 413.522 0.450 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 478951880 DFNNXPPGVBRHCR-AWEZNQCLSA-N 422.445 0.740 30 20 HCED CNC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 480120976 TYGHZIFUQBVUSW-ZDUSSCGKSA-N 400.460 0.901 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 480812745 ATQHPGGRWIKSBA-ZDUSSCGKSA-N 418.397 0.772 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C1CC1 480957186 GIGRDWGNEYPJSG-UHFFFAOYSA-N 419.528 0.971 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCN(C)C1CCN(C)CC1 482164007 NMILIPWSVVNZQH-MRXNPFEDSA-N 421.567 0.709 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 482185443 ZVPULSVMIXHYEZ-CVEARBPZSA-N 407.540 0.225 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 482185760 STEUJCZTJHOAHV-MLGOLLRUSA-N 419.484 0.870 30 20 HCED C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 486486522 MJYJFHQNBWXKCQ-XLIONFOSSA-N 412.538 0.842 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488649604 NJZSVLQKVNGADF-QGZVFWFLSA-N 410.434 0.257 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)cc1Br 499389028 NQZPFTGVNQMXLR-UHFFFAOYSA-N 400.254 0.906 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1C 501198377 VGUARASJTMPSFW-UHFFFAOYSA-N 415.515 0.891 30 20 HCED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(N2CCCCC2)n1C[C@H]1CCCO1 506927344 PJALYFBOQUYHSH-LSDHHAIUSA-N 411.528 0.912 30 20 HCED C=CCn1c(Cc2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508498513 SOMGIDSHNRGOPY-CQSZACIVSA-N 400.870 0.855 30 20 HCED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cn1 525523894 XZMZYSSQCKIXRC-UHFFFAOYSA-N 421.439 0.142 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)c1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 526047006 OIIMJMZQWZNIST-UHFFFAOYSA-N 417.495 0.198 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(N)=O 527030407 HXURXRMCTMSKTI-UHFFFAOYSA-N 413.499 0.912 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 531710560 YHGYQWBIBYKZPW-HOCLYGCPSA-N 423.491 0.796 30 20 HCED C=CCCOCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 534519163 YOVSYBPXSITNQQ-UHFFFAOYSA-N 411.528 0.425 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCO1 541967427 NYCYHBPLYRSJEG-ZDUSSCGKSA-N 414.340 0.411 30 20 HCED C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 542995318 GRWSEUMWACTWSJ-AXAPSJFSSA-N 410.409 0.947 30 20 HCED C=CCn1c(Cc2noc(-c3cnc4ccccn4c3=O)n2)nnc1N1CCOCC1 546349346 SDNNVMMGLUDPOB-UHFFFAOYSA-N 420.433 0.949 30 20 HCED CC(C)(CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1CCOCC1 549979343 XZRCAHZXCQRVAB-IBGZPJMESA-N 413.522 0.450 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCN1C(=O)NC3(CCCC3)C1=O)CC2 550568420 HIJCLLUXFATYGK-UHFFFAOYSA-N 409.446 0.818 30 20 HCED C=CCOC[C@H]1NC(=O)N(Cc2cccc(NC(=O)CCN3CCOCC3)c2)C1=O 552696201 ZLMKPCJJGNHVFS-GOSISDBHSA-N 416.478 0.970 30 20 HCED C=CCN(CC=C)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 554443572 UAZVURLAYZCFEN-KRWDZBQOSA-N 414.510 0.599 30 20 HCED C[C@H]1CN(c2cc(N3C[C@@H](C)O[C@@H](CO)C3)c(C#N)cc2[N+](=O)[O-])C[C@@H](CO)O1 557660808 PEWPKIHKINGQJC-CLWVCHIJSA-N 406.439 0.638 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 558039886 JBKIXDODCITELC-IRXDYDNUSA-N 416.501 0.144 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)n1 559720867 YLENYMKPCUESFK-CQSZACIVSA-N 412.450 0.609 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2ncccn2)CC1)C(C)C 559865761 UDSPDVIMZQRKMD-GOSISDBHSA-N 400.527 0.940 30 20 HCED Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)NCC(=O)NCC#N 561472082 XIRKWFQIHBYFMY-UHFFFAOYSA-N 400.460 0.843 30 20 HCED N#Cc1ncn(CCNC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)n1 562133671 AGPUOTFCBMQMBU-UHFFFAOYSA-N 422.449 0.785 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)CC1 563961930 AALNXYMUNDIZOJ-ZWKOTPCHSA-N 420.554 0.677 30 20 HCED CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 566991414 DSRULUCTGKNXAT-JTQLQIEISA-N 407.481 0.663 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@H]32)cc1 574708075 UMPCKWQLWWEQQZ-WLLVXSAASA-N 404.488 0.352 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2nccc(N3CCn4cnnc4C3)n2)c(F)c1 575107855 UTTUDOAYWIFATR-UHFFFAOYSA-N 400.399 0.900 30 20 HCED CN1CCC(N2CC[C@@H](N(C)C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 589452637 HEPIKCQCUVYWCP-GOSISDBHSA-N 419.551 0.463 30 20 HCED CN(C)CCNC(=O)c1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1 608989055 ZHCRUOMFYNBIIQ-UHFFFAOYSA-N 407.474 0.896 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609082501 NDYIVCXDFKFCJX-UHFFFAOYSA-N 417.438 0.858 30 20 HCED Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1S(=O)(=O)NCC#N 609414537 WVUCMORRXLYXLO-IAGOWNOFSA-N 406.508 0.468 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 731130307 LTWXKUPPUBWQGS-UHFFFAOYSA-N 400.479 0.650 30 20 HCED N#Cc1cnn(CCOC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1N 731771873 QGQMAELILOPMJX-UHFFFAOYSA-N 423.426 0.354 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNC(=S)NCCCN(C)C 731929378 WGRMBKZMWCYQKX-GFCCVEGCSA-N 420.992 0.954 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 734003816 WBFJCTUQEZWOJC-SFHVURJKSA-N 421.523 0.715 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)CC1 736074415 AEAJRNWUMAYUJE-MJGOQNOKSA-N 405.543 0.490 30 20 HCED CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)OCCn1ncc(C#N)c1N 744112196 SMSXQPPKDMVHLD-ZDUSSCGKSA-N 406.468 0.873 30 20 HCED NC(=O)CSc1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 744373104 YNGSJGYSJQETPR-UHFFFAOYSA-N 404.473 0.941 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nc(CS(C)(=O)=O)no2)cc1 744560461 CYSQEPCNMJPMQZ-UHFFFAOYSA-N 415.449 0.436 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)C1 746394572 QOEJYXGZEHPUIE-JKSUJKDBSA-N 415.498 0.184 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)nc1 749968512 PRUBXIPJCPWVHG-GOSISDBHSA-N 412.475 0.768 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 753887354 QJIBAZAOWCRZFQ-HNNXBMFYSA-N 406.508 0.479 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758056506 VXNDRTXBKXOYTJ-UHFFFAOYSA-N 407.451 0.096 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Br)CC1 761028380 GNXFXAPBYJSPDS-UHFFFAOYSA-N 415.313 0.473 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 761036766 IXOXDDNWPNOFKL-INIZCTEOSA-N 400.545 0.719 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCN2CCOCC2)[C@H](C#N)C1 766059863 UETBDGDKBXZXFG-OAHLLOKOSA-N 402.517 0.483 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCN(C[C@@H]2CCCO2)CC1)c1cc[nH]n1 772150442 BHIGCMQZULHIHL-HNNXBMFYSA-N 407.471 0.407 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1)c1cc[nH]n1 772655873 LGXYEQJZZXKORC-GFCCVEGCSA-N 400.457 0.119 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C(N)=O)[nH]n1 778390512 WOLVZZKKJHQNKO-GFCCVEGCSA-N 404.452 0.601 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H](C)c2ncn(C)n2)C1=O 780323898 YJMLKVKBAOKCFG-OJRRAVCASA-N 401.496 0.950 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 783054772 DQKNOGAZNRDOPQ-UHFFFAOYSA-N 412.493 0.998 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 783307236 FNZKPXHSNMCDRU-AWEZNQCLSA-N 404.533 0.438 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2nc(OC)ccc2c1)[C@H]1CCS(=O)(=O)C1 783480102 IIBKFUQLZFHNEZ-HNNXBMFYSA-N 401.444 0.831 30 20 HCED C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789737596 PZPGBXZMAOSECK-JIUKNFRESA-N 416.525 0.718 30 20 HCED C[C@H](O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789783008 STZAJZROOSIJSM-JEEMYIIMSA-N 410.496 0.715 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 793203235 BIDDYQUUDZIBAM-UHFFFAOYSA-N 413.477 0.071 30 20 HCED CCN(CCC#N)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800051869 UTQGSTTWTAQNRM-UHFFFAOYSA-N 406.452 0.618 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccn1 805962144 NPZKZHREEIEQKD-KGLIPLIRSA-N 416.459 0.868 30 20 HCED C#CCSCCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806911109 UOMAEERCGVPGRS-HUUCEWRRSA-N 401.488 0.505 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 807542725 BZYHCYHDJUDKEM-HNNXBMFYSA-N 419.503 0.958 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)s1 807694812 KQGIHJUBGTYVRD-UHFFFAOYSA-N 407.477 0.263 30 20 HCED C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)(C)C 807878838 FOORCERZXWOFST-JKSUJKDBSA-N 414.549 0.932 30 20 HCED Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1C 813981540 DUXLYQIJLJTFCM-UHFFFAOYSA-N 422.488 0.696 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 824514702 HUXKXLGQLIMQMF-KKUMJFAQSA-N 408.476 0.779 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 919094841 APMXEEVBKCGFOB-HNNXBMFYSA-N 423.491 0.872 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 920738709 WABDPMGHLDGZNQ-UHFFFAOYSA-N 405.436 0.122 30 20 HCED N#C[C@H]1COCCN1CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1191627843 YMNLIJWACFNREP-SFHVURJKSA-N 422.507 0.495 30 20 HCED CCN(CCC#N)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 1221705360 WICIZWMDGHQSLH-ZMIKWESLSA-N 404.511 0.333 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccnc(N2CCOCC2)c1 1251789445 KHODFTXSRQYDTR-ZCXUNETKSA-N 400.439 0.244 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CCOc1ccc(S(N)(=O)=O)cc1 1292290776 OTAOJEDMVRNBQI-UHFFFAOYSA-N 410.496 0.177 30 20 HCED Cc1nnc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1C 1300162656 KODRTOFBQNJTSQ-CYBMUJFWSA-N 417.495 0.011 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C1 1316526510 MIRCSHMSYIVFPL-GOSISDBHSA-N 417.449 0.130 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1C/N=C1/NS(=O)(=O)c2ccccc21 1318486748 WESGKZXVZIUZKQ-UHFFFAOYSA-N 409.489 0.538 30 20 HCED CC(C)NC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1360292946 VHGDULJJUNXGNM-QGZVFWFLSA-N 424.509 0.900 30 20 HCED C[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)N1CCN(c2ccccc2)CC1 1464202396 UXAPCJIBBUDTHI-MRXNPFEDSA-N 410.478 0.538 30 20 HCED Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cs1 1492690429 MHQJZVQWHAAFRW-ZFWWWQNUSA-N 422.536 0.917 30 20 HCED CC1(C#N)CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1541992644 OMEUFKQKBLZQAV-SFHVURJKSA-N 404.496 0.953 30 20 HCED CN(C)C(=O)[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1587006016 MPFTZPXLHDHUHX-AWEZNQCLSA-N 406.386 0.251 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705747373 LJSIBYNZXOMGFK-QWRGUYRKSA-N 411.937 0.264 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1710899629 PJFZZVQMZSHXPJ-AWEZNQCLSA-N 420.495 0.622 30 20 HCED CS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1731009191 QQGQVSATOMMOFC-UHFFFAOYSA-N 415.523 0.868 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCO[C@@H]1C 1771109532 UZRZNXZFHCCZDK-DNVCBOLYSA-N 406.487 0.420 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021025 ZMOOWMDIFADSKZ-RJQOPERDSA-N 412.556 0.402 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062686 FSFXDAYHLWLKRT-VGOFRKELSA-N 419.522 0.382 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnn1 1779066678 DVFZXIIXAZWOOD-UWJYYQICSA-N 415.494 0.368 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779182119 UJVJJYOIVBFMNA-KKSFZXQISA-N 413.478 0.228 30 20 HCED Cc1nccnc1C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779779617 SJXJDUFRAWJEQM-QFIPXVFZSA-N 412.490 0.927 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1 1780167874 AWCTXCJYHKBJEM-HXUWFJFHSA-N 410.434 0.302 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1780593274 WWTRNDUATBEXBQ-HXUWFJFHSA-N 424.417 0.807 30 20 HCED C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(C#N)cc1)C2 1780719492 DNJFEGXQLKNYRG-DKZVUGQWSA-N 412.490 0.749 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1781736619 NCVOLBAGKXLPGM-BXTJHSDWSA-N 406.483 0.264 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782319823 PWMBKGFPNYJKLL-NRFANRHFSA-N 416.478 0.782 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1783049032 OERKBGOJTLBULG-JOCHJYFZSA-N 406.442 0.979 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)CC)C[C@@H]21 1783530616 LMWZHQDBOSVWLP-JROFNHFXSA-N 406.527 0.165 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)CCO2 1783554518 BDIAAPZHHRJAIV-WWMYMODYSA-N 400.406 0.847 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cn3ccc(Cl)cc3n1)CCO2 1783561675 FPYZSRLZFBCOLA-IBGZPJMESA-N 416.821 0.519 30 20 HCED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784529234 JYOJVEFHEQEQBK-DNYSBMAMSA-N 418.494 0.593 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784612040 FXPVCHHMBJLGCL-YWZLYKJASA-N 404.467 0.839 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)c3ccccn3)C2)C1 1784648145 NAZUGHMNXNAPCM-HTNYWEHUSA-N 412.490 0.873 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncc(F)cc3F)[C@H]2C1 1784765714 LRSLXYROVHCRRB-HPZZRFSDSA-N 407.417 0.991 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785446319 DQNPWSSZLVMVIP-UZLBHIALSA-N 401.467 0.635 30 20 HCED CC(C)(C)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1786833140 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417.443 0.705 30 20 HCED C=CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 9093244 MQXWWIRZJJWSJP-UHFFFAOYSA-N 408.480 0.602 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 52938591 JFKIYICEGOLNJY-OAHLLOKOSA-N 418.523 0.938 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)C1=O 53271032 KYZJAIJAAPUFQT-UHFFFAOYSA-N 416.409 0.395 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CCO1 409490674 JKZFDMOVYBNGDI-KRWDZBQOSA-N 413.931 0.521 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 410115412 GTQAJUIQANFHJU-OCCSQVGLSA-N 402.498 0.057 30 20 HCED N#C[C@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 426471800 UBTUOOGZVNQPAN-BBWFWOEESA-N 404.492 0.771 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1Cc1ccccc1 431210928 TURSNPXLNFUKMY-ROUUACIJSA-N 409.490 0.540 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 440381400 LJNMRANPHDKMEL-GFCCVEGCSA-N 400.460 0.439 30 20 HCED Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446532496 QQXIRKHASYEBDD-UHFFFAOYSA-N 415.494 0.710 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccco1 460592030 KYNBFHVNNJILKR-ZDUSSCGKSA-N 421.417 0.800 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 468696697 NGUAJHSWQYHOCR-UHFFFAOYSA-N 403.464 0.701 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)C 502005900 ASPOVUXKZMEZCZ-UHFFFAOYSA-N 417.535 0.345 30 20 HCED CNC(=O)Cn1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1C 503856664 LKNRXHQZIIMBQH-UHFFFAOYSA-N 404.452 0.068 30 20 HCED COCCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 504574149 AGZOCLVJMKCPPD-UHFFFAOYSA-N 423.539 0.542 30 20 HCED C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)N1CCOCC1 505509460 FAFDMRQEVHMHRT-HDMKZQKVSA-N 413.478 0.989 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cn3c(C)nc4ccccc4c3=O)CC2)c1C#N 507829544 LVORKCUPTLXALH-UHFFFAOYSA-N 405.462 0.967 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2CC)cc1 518060906 KOPDLFUIGRSIIU-OAHLLOKOSA-N 408.480 0.169 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 520385102 NTDFOPVVDCZOOI-UHFFFAOYSA-N 411.466 0.223 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC2(CO)CCOCC2)CC1 532558123 FITAEMXHJNYYNC-UHFFFAOYSA-N 415.450 0.586 30 20 HCED N#Cc1c(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cn2ccccc12 532705245 FNESRZOANGZSIH-QGZVFWFLSA-N 415.519 0.232 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCCO1 533884784 MIMFFTFCWZYOSC-OAHLLOKOSA-N 415.519 0.240 30 20 HCED COC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1cccc(O)c1 540509161 NODIQYNBHXOETL-SFHVURJKSA-N 417.443 0.915 30 20 HCED CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542073507 MLHHLDXWNGXTJO-SFHVURJKSA-N 404.858 0.765 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccccc2OC)N(C)C)C1=O 549987487 OBMJYDZBULYCDK-IRXDYDNUSA-N 402.495 0.659 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)nc1 550267986 LDVGYERHEUTQNN-UHFFFAOYSA-N 419.488 0.923 30 20 HCED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC(=O)N1CCN(C)CC1 550674266 HZMDIJWANPPCNG-UHFFFAOYSA-N 413.522 0.823 30 20 HCED CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 555645969 GPTWIFIVEKVIHN-ROUUACIJSA-N 423.473 0.787 30 20 HCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(N)=O)c1 555736300 SZFAPZUAQCHIEV-UHFFFAOYSA-N 421.482 0.131 30 20 HCED N#CCCCCNC(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 557293483 SNDZKOXBNLSOLJ-UHFFFAOYSA-N 405.886 0.915 30 20 HCED CCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@@H](C)CS(=O)(=O)CC 564457081 ZTPHENUMIOABFL-ZDUSSCGKSA-N 418.479 0.749 30 20 HCED CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 567764741 SBBVNQOBCQLJPM-ZDUSSCGKSA-N 414.441 1.490 30 20 HCED N#Cc1cncc(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 574489195 QJECHVXNUQHXPC-CQSZACIVSA-N 402.432 0.556 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)[C@H](C)C(=O)NCc1ccc(OC)c(OC)c1 577397467 OQEWEHVQCWUOQP-LLVKDONJSA-N 410.452 0.666 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC[C@@]4(CCCCO4)[C@H]3C#N)cnc21 577457281 AOQDSHJYNMTGFG-KDOFPFPSSA-N 419.463 0.650 30 20 HCED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 580252209 QWSJUBMBTMASQF-SJORKVTESA-N 407.492 0.615 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)nc1 587648360 WFGBVMHNLBIYKZ-GOSISDBHSA-N 419.489 0.828 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 589379980 QLMJFYOFKSXPNW-UHFFFAOYSA-N 424.486 0.888 30 20 HCED N#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 589400506 RSGGULGCMBXGBR-UHFFFAOYSA-N 420.413 0.968 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 604510723 ZUKIOSDBDUOZFO-UHFFFAOYSA-N 417.447 0.739 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC3CCN(CC#N)CC3)CC2)c1 609330732 YLIGCDVHKKHXJM-UHFFFAOYSA-N 419.551 0.551 30 20 HCED C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 610406308 OWXRMQJLTPVJGK-RHSMWYFYSA-N 408.466 0.712 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cn2)C[C@@H](C)O1 612269598 JXVYJEGWKSTGOP-SXGZJXTBSA-N 416.482 0.610 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669804277 ITYYKEPLCURWHM-CYBMUJFWSA-N 405.484 0.629 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 725764031 FSBHQAUSPOIQDX-UHFFFAOYSA-N 415.471 0.999 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccccc2OC)C1=O 726042811 GUWOPUSLERIZRD-UHFFFAOYSA-N 403.391 0.174 30 20 HCED Cc1ccc(C(=O)N(C)CC(=O)NCc2ccco2)cc1S(=O)(=O)NCC#N 731186072 PCQDDSJXDRXQRN-UHFFFAOYSA-N 404.448 0.778 30 20 HCED C=C(C)CN(CC)C(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21 731810615 AFJOXLOLGXWFFW-UHFFFAOYSA-N 419.463 0.778 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 732157023 UBIHJUKWFRXRQG-FBMGVBCBSA-N 422.438 0.523 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)CC1 733148566 COBFGXNDLBVYRX-QGZVFWFLSA-N 414.481 0.771 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 733888314 WDQPEWGWEXZKSF-FMQUCBEESA-N 412.446 0.896 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1 748742443 IRQFHXWANFSPHP-INIZCTEOSA-N 407.517 0.736 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749379860 RQYYYMMSDBEIDV-UHFFFAOYSA-N 419.507 0.190 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 758060863 PLTZSNHYASTECJ-UHFFFAOYSA-N 419.409 0.402 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 758075973 CEYKVIAELUTIBJ-UHFFFAOYSA-N 417.437 0.477 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)cc2)c1=O 758079899 VGJCCFMJBJOWNB-UHFFFAOYSA-N 411.483 0.207 30 20 HCED CS(=O)(=O)CCn1cccc(NC(=O)NCCNc2ncccc2C#N)c1=O 760790569 RYQOTQODPSPKLB-UHFFFAOYSA-N 404.452 0.393 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCOC3)c2=O)c1 763457962 LAYOSHSJYLNHTI-INIZCTEOSA-N 412.515 0.410 30 20 HCED N#CC1(NC(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)CCC1 769669734 NWQCXELQFLDWLK-UHFFFAOYSA-N 400.347 0.967 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC([C@H](O)c3nccn3C)CC2)CC1 774704476 PCBBTIDFSSXIJQ-ICSRJNTNSA-N 402.543 0.858 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)CCCC#N)cc1 776123130 YPHMZWNJCKDRMK-UHFFFAOYSA-N 416.481 0.015 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2sccc2Cl)c1=O 782793414 QGDRSHZWYVNSOL-LLVKDONJSA-N 421.931 0.912 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 782959025 JOLOCFVOPBMHGP-CQSZACIVSA-N 412.439 0.438 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)nc1 787738431 RZTBKBNTJKHIJC-SFHVURJKSA-N 420.473 0.961 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 787774949 MXCFHNMVILXXPF-UHFFFAOYSA-N 412.410 0.450 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 795815727 CSMBBBYUEGVPEO-GOSISDBHSA-N 411.462 0.016 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2ccnc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 795970526 FASRHHQTCDTVTB-UHFFFAOYSA-N 419.397 0.484 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(F)c1 802547939 KHXNRFPADXGUEG-UHFFFAOYSA-N 418.400 0.178 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 809306760 UZAOKFTWBGZOHP-MOPGFXCFSA-N 415.465 0.978 30 20 HCED N#C[C@H](C(=O)c1cc2n(n1)CCO2)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 810534355 OMNFIIDPSRNVKV-OAHLLOKOSA-N 410.390 0.855 30 20 HCED O=C(NC1CC1)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 812038352 MPZIYKMWZQYYLQ-UPTRSRDDSA-N 405.455 0.966 30 20 HCED C#CC[C@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 816669047 FQTZWRUHHPADPK-RDTXWAMCSA-N 410.492 0.651 30 20 HCED CS(=O)(=O)CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 920593342 SCOGAKRMSRDYDE-ZDUSSCGKSA-N 423.491 0.944 30 20 HCED C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 960705018 UZVVKQDORKOEFA-FVCOPRDSSA-N 413.518 0.193 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 1140533853 LLCUGQAPGURLHX-SJLPKXTDSA-N 420.535 0.938 30 20 HCED CN(C)S(=O)(=O)c1ccc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)o1 1189391881 OXSMVABSYVTQIE-UHFFFAOYSA-N 406.464 0.444 30 20 HCED CS(=O)(=O)c1ccc(OCCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1302292197 ZMGGELPKIQNVFI-UHFFFAOYSA-N 419.463 0.929 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCOC2)CCO1 1316535694 XWEJYTCCXQGNLG-MLGOLLRUSA-N 423.271 0.916 30 20 HCED N#Cc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c(I)c1 1321308801 FBYHTJVSCOMNSQ-JTQLQIEISA-N 420.228 0.845 30 20 HCED C=CC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OCC 1342433985 INCVDVHIWQVQSO-CQSZACIVSA-N 410.448 0.715 30 20 HCED N#C[C@H](C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc(F)n1 1344597532 WNXWHPQZOIZCBM-AWEZNQCLSA-N 402.407 0.831 30 20 HCED CNC(=O)CN1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1464588773 RYXKNFAGZCOVQR-UHFFFAOYSA-N 415.313 0.763 30 20 HCED CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CCO1 1508375511 KUYCJYXGNKCSLX-IBGZPJMESA-N 420.477 0.940 30 20 HCED CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1517765801 WXRYPAFCEOKMMS-AWEZNQCLSA-N 404.496 0.933 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccs2)CCO1 1521130501 XJSGFOSPOLHPGW-QWHCGFSZSA-N 408.509 0.608 30 20 HCED C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1541865345 NPSYJXXLMZZGFF-HNAYVOBHSA-N 405.478 0.563 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)cc1 1656687585 QLXVIIYKNGXNKM-UHFFFAOYSA-N 421.504 0.372 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)NCC3(O)CCS(=O)(=O)CC3)CC2)c1 1674055654 QGDDAOZCXGNGBO-UHFFFAOYSA-N 420.535 0.762 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)CC1 1705686289 UYDVZEOPFOFRRC-SNVBAGLBSA-N 404.290 0.373 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1709901086 TYAVHFPIWBFVAQ-SFHVURJKSA-N 409.494 0.816 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1741879070 YIMSUBGMACJPLK-RDJZCZTQSA-N 401.515 0.937 30 20 HCED CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN(C)S(=O)(=O)CC 1767841400 IHNHCTVMXNBVLZ-INIZCTEOSA-N 402.496 0.928 30 20 HCED O=C(/C=C/C(=O)c1cccs1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1778096211 WIGFOQGAQRFEPZ-FKXXJOMMSA-N 408.476 0.312 30 20 HCED CC(=O)O[C@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C(C)C 1778798405 CFUZLLCJMDCOSE-PXNSSMCTSA-N 402.451 0.918 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1779016868 RIMCYAOBXVAWPJ-GUBFPNNNSA-N 404.471 0.222 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C3)C2)C1 1779069376 QFZITLLMKMIMIW-XLIONFOSSA-N 408.451 0.277 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1779255420 ADRJWZXTIMVLGB-HRAATJIYSA-N 423.510 0.631 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2cnc[nH]2)C1 1782428573 KIEGMHZGTWNDMU-DPENYNJISA-N 400.479 0.975 30 20 HCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)S)C3)c(=O)nc1O 1783118723 NBOWDZMDZPTESU-IQUTYRLHSA-N 424.523 0.090 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783258485 VCHIXEIATLPODX-NRFANRHFSA-N 411.543 0.095 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1783557518 NPVKYXAFOJJCLM-HXUWFJFHSA-N 420.849 0.809 30 20 HCED C[Si](C)(C)c1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)co1 1783565630 WMNMBVJGEXMQIO-IBGZPJMESA-N 404.495 0.356 30 20 HCED Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858121 LEVVUPKFVADQEF-KKUMJFAQSA-N 418.498 0.440 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cncnc3)[C@H]2C1 1787043358 JBMHSPOWWVYAJC-CADBVGFASA-N 416.522 0.962 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nc(C)no3)[C@H]2C1 1787053348 OUHYRPQWDZUZIL-TUUVXOQKSA-N 407.471 0.701 30 20 HCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)NC4)C[C@@H]32)c1 1789506598 BVGQOAHFTBPZKL-VJANTYMQSA-N 410.474 0.678 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cncnc3C)C[C@@H]21 1789890715 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C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(Br)cn13)C2 1800453362 HMSGJJFJWRPVFV-DPIQGUFMSA-N 417.263 0.933 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]13C[C@H]1CCN3C(=O)OC(C)(C)C)C2 1800454860 KDPDMKYTEXMLNM-XDRXCXCGSA-N 403.479 0.609 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)O 1800755446 YWFPENCQGRUWKV-ATCDCCBLSA-N 423.510 0.426 30 20 HCED COc1cc(C)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(C)c1 1800779490 LGMLFZQBZAFNRV-YVWYUNDQSA-N 400.431 0.603 30 20 HCED CN(C)C(=O)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccnc1 1802685690 JRUBOTWEVISMLI-NVXWUHKLSA-N 400.483 0.908 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1802685850 WQBBQSHVKXHSJJ-OFQRWUPVSA-N 412.450 0.235 30 20 HCED N=C1NCCN1CC(=O)N1CCCC2(CCN(C(=O)/C=N/N3CCCCC3)CC2)C1 1809744674 AUQZIIRKUKOUHN-BUVRLJJBSA-N 417.558 0.529 30 20 HCED Nc1n[nH]c(CCC(=O)NC[C@@H]2CCN(C(=O)C#CC3CC3)[C@H]2c2cccnc2)n1 1810146705 BTJRHVKYWBMSLM-JXFKEZNVSA-N 407.478 0.834 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1812410656 BHOZJTGXMMUGGU-HNAYVOBHSA-N 409.402 0.491 30 20 HCED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c(O)n1 1812878193 UIFVPKMAEHYPFA-DNVCBOLYSA-N 408.414 0.898 30 20 HCED N#Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C(O)O)n[nH]2)ccc1F 1814710242 JXTCSTXHMULGEO-HNNXBMFYSA-N 401.398 0.966 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817360584 YZMTYFZACORIMH-VNHYZAJKSA-N 421.502 0.796 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829524153 CWNBFKGNFREJCE-FQEVSTJZSA-N 405.401 0.843 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1829959400 FMXKOSLFVWFGAQ-RDTXWAMCSA-N 415.437 0.180 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1830057435 DWMMPFKALKVTNG-OAQYLSRUSA-N 411.462 0.954 30 20 HCED CC(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1830872596 FPUDAUXFKURSDI-GHTZIAJQSA-N 419.453 0.784 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3)C2)C1 1831391033 DWPQFYRSTOCWKU-DYESRHJHSA-N 401.463 0.498 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1831413210 QJVMKSCNTUJLDX-NRFANRHFSA-N 419.478 0.840 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831512233 DHKWMQKJIYWFJW-VHFSOBRXSA-N 404.467 0.363 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833483099 ZJIBHEZLQCLHHB-MRXNPFEDSA-N 423.579 0.652 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cccnc3)CC2)CC1 1833770960 LSSKRZHRRBAOPW-UHFFFAOYSA-N 412.494 0.297 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C)c1)CCO2 1833854419 BWNISPTZOFXFQV-NRFANRHFSA-N 419.478 0.605 30 20 HCED N#Cc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)cc1 1834095797 HUSXOINWMIUZCU-JOCHJYFZSA-N 423.473 0.984 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccno1)CCO2 1834150689 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1838651036 JYRZCKNOTKBXCJ-FQEVSTJZSA-N 411.418 0.371 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1839223994 KYZGZGSGIJKWLQ-OXQOHEQNSA-N 419.482 0.656 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839584337 KZSZXAATYQGTGD-NRFANRHFSA-N 400.479 0.392 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1)C(F)(F)F 1839891991 LUOIRRPBQFTTFF-QGZVFWFLSA-N 414.384 0.594 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1840175009 JMHGEYUSRHZCRJ-OAQYLSRUSA-N 417.462 0.997 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1840175963 OYPICCRZAHOPIN-CBGDNZLLSA-N 408.495 0.998 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)Cc2ccc3ncnn3c2)C1 1845028384 JSRMXOCWEYRMBT-FSJBWODESA-N 409.494 0.947 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)ccc1F 1845202607 QNRYWOARIDTETG-INIZCTEOSA-N 401.442 0.036 30 20 HCED CCCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 26763383 XTEJKVAFSGBINP-UHFFFAOYSA-N 400.526 0.841 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 62197399 RFOMUAJPAYKKCV-UHFFFAOYSA-N 417.447 0.740 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCCO)CC2)c1 427364037 BLMIWXIMSGQAAD-UHFFFAOYSA-N 409.508 0.502 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 429858560 MRGBVVILJCROEL-UHFFFAOYSA-N 404.452 0.682 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1Br 433362844 KPVCSFFVELOPHT-NSHDSACASA-N 408.299 0.762 30 20 HCED CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 437965867 WQSYNAYIEAIPKZ-SFHVURJKSA-N 422.507 0.178 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441939401 XOFBHPPETFMUHA-OAHLLOKOSA-N 410.499 0.467 30 20 HCED CN(CC(=O)N1CC[C@@H](OCCN2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 443868229 MCCWNTSZGCGPBP-GOSISDBHSA-N 420.535 0.892 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 460394919 QCMOENLDHFADHN-CQSZACIVSA-N 408.532 0.973 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(CCS(N)(=O)=O)CC2)c1 471043229 KVJIANJLTZAOKO-UHFFFAOYSA-N 407.540 0.456 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(c4nccn(C)c4=O)CC3)C2)n1 471424665 OXPVKRCVRKBBJD-GOSISDBHSA-N 421.505 0.921 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 476449502 ZCOGJQOYAPWNSI-IAGOWNOFSA-N 404.492 0.576 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@]3(C#N)CC3(C)C)c2)CC1 484904711 DBHRQHMSPJPDTQ-LJQANCHMSA-N 404.492 0.961 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 485531238 SLYHLZBAGRWWBE-RRQGHBQHSA-N 411.480 0.162 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 489179965 QLIGTYSHWMOGIA-KRWDZBQOSA-N 414.466 0.197 30 20 HCED N#Cc1nc(N)n(CC(=O)NCC(=O)Nc2ccccc2Br)c1C#N 490150717 NIYIFCFQILWSBP-UHFFFAOYSA-N 402.212 0.726 30 20 HCED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 507779346 ULZLXZVIFKHZPP-CRAIPNDOSA-N 423.477 0.458 30 20 HCED CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1Cl 508943344 SLXKALXSUPHVLH-UHFFFAOYSA-N 407.858 0.953 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCO)CC2CC2)CC1 510889264 GZMJJGNCVAEJQE-UHFFFAOYSA-N 406.508 0.095 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1 514396898 HTNVEXNLRFRILQ-UHFFFAOYSA-N 405.483 0.746 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 516428017 AZAFJBIGVNDTKW-UHFFFAOYSA-N 401.467 0.588 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)CC1 534120442 ICUHYRNIMXJDGD-UHFFFAOYSA-N 424.505 0.836 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCC#Cc2ccccc2)cc(S(C)(=O)=O)c1 539169978 PFITZBLWONHYRW-UHFFFAOYSA-N 414.439 0.983 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)nn1 547281537 DCERMUNXBJOAMK-LLVKDONJSA-N 420.407 0.870 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 553329439 HBUGOMQVBMQYRA-QGZVFWFLSA-N 416.526 0.184 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCc4ncnn4C3)C2)c(F)c1 553538764 RFPDIPJYDBXLJQ-LSDHHAIUSA-N 411.441 0.505 30 20 HCED CN(C[C@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CCO1)c1nccn(C)c1=O 555211072 JEVDOCVSCKGLPP-SFHVURJKSA-N 413.453 0.818 30 20 HCED CC(C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 561654835 FZTAONBUEZCEAG-UHFFFAOYSA-N 402.842 1.224 30 20 HCED CCN(CCC#N)S(=O)(=O)NCC1(NS(=O)(=O)N(CC)CCC#N)CCC1 566401499 YRMXVECFCGCXLG-UHFFFAOYSA-N 420.561 0.049 30 20 HCED CC(C)N=c1[nH]c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nc(=NCCO)[nH]1 569231283 PMCDEPQHIHCRKE-UHFFFAOYSA-N 410.526 0.524 30 20 HCED CN1CCC(N(C[C@H](O)CC(C)(C)C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 576670362 QKYGNXFAVGETSL-IAGOWNOFSA-N 402.561 0.649 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 577996667 VIHHVMQRCYAKET-GASCZTMLSA-N 409.464 0.058 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)n1 580252099 OARDJYPQUZMLTP-CQSZACIVSA-N 407.434 0.548 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)n1 589393135 LGOUERZFRDHRDR-OAHLLOKOSA-N 409.450 0.401 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)c1C#N 589437822 NHKWUNUGKZRKRW-UHFFFAOYSA-N 424.486 0.896 30 20 HCED C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608977820 PXVADBQEWUEVSO-AWEZNQCLSA-N 412.537 0.840 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)ccc1OCC(N)=O 609952665 QPPQOSGHRYVIAJ-UHFFFAOYSA-N 400.366 0.825 30 20 HCED CN(C)CCN1C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1=O 610422908 WKUSCXRWIHITBM-OAHLLOKOSA-N 400.483 0.482 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 614505227 GBFJXWJSTUKRTP-UHFFFAOYSA-N 408.484 0.147 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H](C)Cc2c(F)cccc2F)C1=O 726043640 WYXDAWXEJRUSIT-LLVKDONJSA-N 423.372 0.532 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1cnn(CC)c1 732563216 UHCOHHOQCCCNOR-UHFFFAOYSA-N 423.502 0.137 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1 733149145 ZJLAYSBJDYUIPG-CYVLTUHYSA-N 407.478 0.263 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 735937060 DLQFWFXCJRZYHK-SFHVURJKSA-N 410.536 0.833 30 20 HCED C#CCSCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 740032967 JKSIVNXODRAWHF-UHFFFAOYSA-N 411.553 0.199 30 20 HCED Cc1nc(=NC(=O)CCc2nc(O)c3cnn(C)c3n2)n(-c2ccc(C#N)cc2)[nH]1 741945748 ICQRMRDHGURYLG-UHFFFAOYSA-N 403.406 0.823 30 20 HCED COC(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743961140 IUSZLKIEALDKNQ-QNGOZBTKSA-N 410.496 0.979 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCOC 748647173 YJDRBURPLOYNEH-UHFFFAOYSA-N 400.485 0.295 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(COc3cccc(OC)c3)n2N)CC1 748652186 ULNKKJRFFVCKHK-UHFFFAOYSA-N 416.507 0.449 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 751108677 XGHJLKQTFPQRRL-UHFFFAOYSA-N 411.455 0.058 30 20 HCED N#CCNC(=O)COC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 751951559 UYBPZUVCZSILNM-UHFFFAOYSA-N 410.633 0.546 30 20 HCED Cc1nn(C)c(N2CCOCC2)c1C=NNC(=S)NCCCN1CCOCC1 755520374 DLANLONHOWDVCU-UHFFFAOYSA-N 409.560 0.085 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 756894193 IWXDRKLIJFRZMN-KGLIPLIRSA-N 421.479 0.359 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758078825 BNOSRPRGLKCFFY-UHFFFAOYSA-N 409.467 0.357 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnnn1CC(F)(F)F 758522192 OBFYNIAUJAWTIO-VIFPVBQESA-N 418.357 0.517 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NC(=O)NC1CC1 767638178 RFRNNKSBEUYTAB-QWRGUYRKSA-N 408.436 0.145 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nccn3c(Br)cnc23)CC1 769781042 ZWTCQQDLWMBXQN-UHFFFAOYSA-N 419.283 0.389 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1 773413133 GJRFYWQTUCRZKU-GOSISDBHSA-N 405.520 0.925 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@@H]1CCCO1 773556151 HHXZLGHOWIBOAN-CVEARBPZSA-N 417.491 0.760 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(C4OCCO4)CC3)n2)cc1 774372769 UOLDBRKIWQSUEF-UHFFFAOYSA-N 410.434 0.748 30 20 HCED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 779343132 MUBWLCFQVQOZLU-UKRRQHHQSA-N 406.508 0.973 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 780669254 DVDBXQTWWYGFTM-CQSZACIVSA-N 413.434 0.803 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)ccc1F 781449340 AROCVNJMXHKPRV-HIFRSBDPSA-N 400.428 0.429 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 783035135 FXHXKIWEOMVTBS-UHFFFAOYSA-N 410.496 0.680 30 20 HCED CC(C)(C)OC(=O)NCCN(CCO)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 785102845 WEEUHLIVDGRLSR-UHFFFAOYSA-N 422.486 0.794 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccc(S(N)(=O)=O)c1 785524019 MQOSCVIDRPZAMU-GFCCVEGCSA-N 416.463 0.006 30 20 HCED CN(C(=O)COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1(C#N)CCCCC1 786369836 YZKUCBMTHYYZJQ-KNCCTNLNSA-N 417.462 0.767 30 20 HCED C[C@@H](OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)NC1(C#N)CCC1 786995825 JTQBWCOFLPOBHY-CVEARBPZSA-N 406.483 0.194 30 20 HCED CN(CC(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)C1CC1 790840635 ZFHODQCXWHGKNX-UHFFFAOYSA-N 400.254 0.994 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCC2(O)CCOCC2)C1=O 795185908 ZDQGWQDMXVNCTC-JJXNMMKVSA-N 420.535 0.992 30 20 HCED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 798488012 DEZWAXUJSDMJND-NSHDSACASA-N 414.427 0.580 30 20 HCED C[C@H](C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)n1cnc(C#N)n1 798839700 DPFZNMVLKGOIHT-MRVPVSSYSA-N 409.225 0.850 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 803608354 UJSIVFPOPLDJJZ-UHFFFAOYSA-N 421.475 0.257 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)[C@@H]1CCCO1 808245542 OAPHBQRZGTWUKL-UXPWSPDFSA-N 415.490 0.691 30 20 HCED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 810773484 GZKUVMULJYYHIO-UHFFFAOYSA-N 403.482 0.161 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 810780028 KWKIZDZPYSCUOT-OAHLLOKOSA-N 408.476 0.564 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)c1=O 913608925 LFPDGLZNOQBZMY-JTQLQIEISA-N 415.475 0.825 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917768429 FXCNVCWAZJTTTA-UHFFFAOYSA-N 417.535 0.535 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)cc1 918699740 WCMJPQMHKSLPQR-QGZVFWFLSA-N 406.552 0.602 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1190725985 WCIAVXCROVYRTJ-ZDUSSCGKSA-N 403.530 0.038 30 20 HCED N#C[C@@H]1CN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCO1 1190840351 ZYWREPNHRVLWCM-GOSISDBHSA-N 422.507 0.495 30 20 HCED CC(C)NC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1288191436 NTNAFOCOUXVISX-MLGOLLRUSA-N 415.495 0.245 30 20 HCED N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC(=O)N1CCOCC1 1303013789 UUCMDTOFZGMWKI-UHFFFAOYSA-N 415.498 0.389 30 20 HCED CS(=O)(=O)c1ccnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1306924717 IBGQOFQZFZUAOC-UHFFFAOYSA-N 407.477 0.263 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2c(O)ncnc2C1 1325996407 RINRJPWKEVCRJY-UHFFFAOYSA-N 401.448 0.586 30 20 HCED COc1cccc(OC)c1OC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1464618463 JJCXJVTYVNTGTI-UHFFFAOYSA-N 414.418 0.908 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(CO)(CO)C1 1470677745 PLJZOULFQIZFTQ-OAHLLOKOSA-N 409.508 0.389 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1510116930 SUSZTHOWQIMJER-LIRRHRJNSA-N 419.507 0.837 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 1554303458 LZGQCMQOBMHWDF-INIZCTEOSA-N 404.496 0.981 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1555988354 YCMVGOLEBQPKTF-CQSZACIVSA-N 400.464 0.188 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1COCCO1 1611674079 VNMQMEDITUJELY-HIFRSBDPSA-N 412.516 0.434 30 20 HCED CC[C@H](C#N)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629998661 ODGAOIDKTBLYFY-CYBMUJFWSA-N 400.501 0.629 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cnc2n(C)c1=O 1632328822 WHNDGFMJFNJAMZ-UHFFFAOYSA-N 422.420 0.605 30 20 HCED Cn1c(O)nc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)cc1=O 1645583946 SCCYYTXLOGKSTK-LSDHHAIUSA-N 422.445 0.106 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1723636438 LJXKHSZXIVCVNS-UHFFFAOYSA-N 404.496 0.822 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ccc(Cl)cc4n3)C2)C1 1778060725 AZNXSGQOIHBBOS-LJQANCHMSA-N 416.821 0.519 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1778885618 LQAOYEBPVUOKBV-KNQAVFIVSA-N 404.555 0.832 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1779038070 OENJYAIOGGPYMM-KSSFIOAISA-N 413.544 0.101 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(OC)c3)C2)C1 1780747677 DVKCTEZXSYUXES-BTYIYWSLSA-N 402.447 0.883 30 20 HCED CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1781000192 RMEZYJDKXGEHPF-XXBNENTESA-N 417.550 0.857 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782276301 DIFCEHVOOKTVCY-QRWLVFNGSA-N 402.451 0.147 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782958303 BFMVDZQQQLWHJN-IIDMSEBBSA-N 415.512 0.194 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cn[nH]c3)[C@H]2C1 1785277199 ANJMSZDDFDUZCQ-XSLAGTTESA-N 404.511 0.895 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]2C1)C(F)(F)F 1787521228 DPOAJHVGALLWCE-UNQGMJICSA-N 405.417 0.951 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788495263 SDORAMRMJJUVOR-WHACICIRSA-N 419.522 0.374 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(NC(C)=O)o3)[C@H]2C1 1788605775 MFORHHVQOUZEEH-VKZRIFJHSA-N 417.462 0.870 30 20 HCED C/C(=C/C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1)C(=O)O 1788661259 IQDXRMJPNXZHDB-NIWWTZLZSA-N 423.466 0.526 30 20 HCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)c1 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HCED N#CCCCn1cc(C(=O)N2CCN(CCS(N)(=O)=O)CC2)c2ccccc21 444799885 SXYOCSKKTJVYMI-UHFFFAOYSA-N 403.508 0.991 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(CC#N)CC2)cc1 465149061 SLXWJEYGULMLEY-UHFFFAOYSA-N 406.508 0.958 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c(F)c1 466285555 CRPWPXQNCXKBHF-UHFFFAOYSA-N 411.390 0.693 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@H](C(C)C)N3CCN(C)CC3)CC2)c1C#N 472118971 ZFAPFWQDRBSWEZ-LJQANCHMSA-N 416.574 0.704 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 472939085 YMSMFWXYFHCMJA-XOBRGWDASA-N 410.434 0.792 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 479740153 DMMCMIGQYGVGPL-NSHDSACASA-N 408.461 0.511 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(OCCCOc3ccccc3)C2)C1=O 480283305 YWFXLOAKJLDBSP-UHFFFAOYSA-N 401.419 0.660 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481250299 CFXYFHBNAPNHNF-HOCLYGCPSA-N 406.508 0.990 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]3C(=O)NC3CC3)n2)cc1 484221394 MDBADHVUKJYIPM-INIZCTEOSA-N 407.434 0.406 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487108206 FGXWQEUGKNSJHU-KRWDZBQOSA-N 419.507 0.382 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1 507702278 BOIUUZLNDBHQBE-HNNXBMFYSA-N 405.499 0.865 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 508944275 CYABLOISRZNIOM-JKSUJKDBSA-N 422.555 0.948 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cn(-c3ccccc3)nc2C)CC1 513257028 UKJKVBFHUDRQJI-UHFFFAOYSA-N 410.478 0.566 30 20 HCED Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1S(=O)(=O)NCC#N 519455219 GBUZJMBIDLSPCQ-MRXNPFEDSA-N 400.460 0.623 30 20 HCED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)Nc1cc(C)nn1CCC#N 526595165 QBQDCDDULOSXLJ-KRWDZBQOSA-N 421.461 0.999 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 531793707 ZZLIPSADBXMWRD-QLFBSQMISA-N 406.512 0.924 30 20 HCED N#Cc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1Cl 532405495 QIERYUBOKLJHGY-UHFFFAOYSA-N 416.825 0.844 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 533251618 UHKOIVDYXSPBLG-RKVPGOIHSA-N 421.523 0.056 30 20 HCED CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 534098562 PIEFPZORXKRWHX-BBRMVZONSA-N 408.480 0.594 30 20 HCED COC(=O)CCC1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 547301787 CZFDFUWHVJZUGV-UHFFFAOYSA-N 424.461 1.578 30 20 HCED CCOCCCNC(=O)C1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 550973686 YXLSUGNSSUNTOC-UHFFFAOYSA-N 400.479 0.956 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 566701705 XOVNHIQWDSSPRT-UHFFFAOYSA-N 421.383 0.677 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3cccnn3)CC2)n1 568146052 ZTMHETYFBDUSDE-UHFFFAOYSA-N 403.406 0.216 30 20 HCED Cc1cc(N2CCC(NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n[nH]1 569748591 XMBNQWFTQOMKHP-UHFFFAOYSA-N 419.449 0.894 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)c1C#N 577985917 QFAURIZVDFBHNP-UAGQMJEPSA-N 412.494 0.323 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)o1 581672053 RVGPBGSNKHFHOS-UHFFFAOYSA-N 417.403 0.832 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc(C(C)(C)C)cs2)CC1 583760005 SKDMCICWISPAHK-UHFFFAOYSA-N 407.540 0.503 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CC1 588125088 WPCHMLSXECMJQW-UHFFFAOYSA-N 401.486 0.964 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 588125690 IPQSMRLQJIPLKV-UHFFFAOYSA-N 408.506 0.697 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 588290334 GASRYKFOAMCLNA-LLVKDONJSA-N 400.482 0.385 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 588866032 HXNWMYGVBGOVJJ-QRQLOZEOSA-N 409.490 0.722 30 20 HCED Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)c1C#N 589031965 RKGCCWPULGQIFK-CQSZACIVSA-N 407.496 0.582 30 20 HCED CN(CCc1ccccn1)C(=O)CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 608948652 HEQYARYBQMZXBI-UHFFFAOYSA-N 414.487 0.685 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 610150575 FETCDTVYNZOHJJ-UHFFFAOYSA-N 415.493 0.548 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 610806083 PEGNGMUGERICBA-WBAXXEDZSA-N 406.508 0.283 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 611026909 QXMBMZOBLZUNCF-QLJPJBMISA-N 407.408 0.465 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CC3)CCN(C)C4=O)CC2)o1 618547376 FDOFNEKSQXFJGW-UHFFFAOYSA-N 400.483 0.448 30 20 HCED Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CC[C@](F)(C#N)C1 619736100 QKLNKIJHUUFBQS-SFHVURJKSA-N 420.470 0.945 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 726043863 UIEBPJAHWOMEEI-SNVBAGLBSA-N 404.335 0.442 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC(=O)NCC#N)nnc12 731234160 YHCPOJNFYYRVSK-UHFFFAOYSA-N 412.431 0.505 30 20 HCED CCS(=O)(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731851494 YJJDGRDYIQOSDJ-NXVVXOECSA-N 413.477 0.285 30 20 HCED Cc1ccc(NC(=O)CSCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908404 KFNHOPCISIFUSY-HNNXBMFYSA-N 423.516 0.633 30 20 HCED C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 733889291 QEFNTMGRLBHCDW-KEVMXDQOSA-N 402.498 0.376 30 20 HCED COc1c(F)cc(CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 734574085 NRZRKZNMMMHUFS-INIZCTEOSA-N 421.406 0.666 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 739720433 OYVNIGWOGMCACO-SJORKVTESA-N 406.527 0.964 30 20 HCED COC[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 740508279 SVLBDEONTUKGBA-HGNXGAGXSA-N 422.507 0.933 30 20 HCED C#CCN1CCN(CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1 742145559 QDNKNKICJKDGEV-UHFFFAOYSA-N 405.499 0.516 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CC(C)C 743728721 PCWZOQZHDFWPKP-UHFFFAOYSA-N 420.560 0.987 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccccc1NC(=O)Cn1cnnn1 744876772 YAKWCSQMWDBMLV-ORAYPTAESA-N 413.438 0.912 30 20 HCED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)N[C@](C)(C#N)C2CC2)C1=O 750967291 LJBXMPYRYLJJGP-MOPGFXCFSA-N 408.422 0.238 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 753251738 YDGPVDSVTASSBW-ZDUSSCGKSA-N 401.510 0.507 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@](O)(c1nccn1C)C(F)(F)F 757152260 VJCZHOYBZHPSIN-SJCJKPOMSA-N 423.399 0.959 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 757157069 OEGWGIUPGFCNBV-KSSFIOAISA-N 418.461 0.506 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(OC)cc2OC)c1=O 758078407 JPSOZOALZOUSTJ-UHFFFAOYSA-N 411.483 0.589 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 765643162 SISUWNPFQGFLNR-FZMZJTMJSA-N 417.534 0.171 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1cccc(F)c1 765890658 KWWSYEKETSHBIJ-BBRMVZONSA-N 421.450 0.920 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 766987273 UBWZCADLCATHIO-UHFFFAOYSA-N 412.449 0.264 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCNC(=O)OCc1ccccc1 771732930 RVQXYTTUAHAESH-MRXNPFEDSA-N 416.521 0.918 30 20 HCED C#C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@H]1CCCO1 773554942 GDDMNIDNIKIWND-IAGOWNOFSA-N 400.483 0.326 30 20 HCED COc1ccc([C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(=O)O)cc1 776655518 MVPPOCRAGJGEFV-MRXNPFEDSA-N 403.416 0.676 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 783464286 PIEQSAQHDGBHNK-UHFFFAOYSA-N 408.414 0.616 30 20 HCED C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 784850555 YHKKRLJPYDHBNJ-CYBMUJFWSA-N 409.464 0.183 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 784924931 OMFKGYGVSMJJPN-UHFFFAOYSA-N 416.865 0.582 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nc(-c2nc[nH]n2)no1 787558095 DAYVAAOBZLGSDO-UHFFFAOYSA-N 403.380 0.027 30 20 HCED CC#CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 788273493 FHHKBRYETYPVDF-UHFFFAOYSA-N 413.883 0.781 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 789808743 JFJJWZBENOUKHD-HNNXBMFYSA-N 405.476 0.664 30 20 HCED C#CCn1ccc(CN(CC)C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)n1 790117882 HGNHXUJVUSQNKM-QFBILLFUSA-N 418.519 0.901 30 20 HCED O=C1CN(CCN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)CCN1 790742351 NQIOPIDEOVPNBM-CQSZACIVSA-N 421.548 0.780 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1 804555389 OTGWDPRSEASVCO-AUUYWEPGSA-N 418.475 0.191 30 20 HCED C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 805057371 GOHLJHGIGUSCTM-HOCLYGCPSA-N 407.515 0.852 30 20 HCED N#Cc1ccc(CNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)nc1 806567102 RRJWJTJELRPCOW-CYBMUJFWSA-N 400.416 0.869 30 20 HCED CC(C)NC(=O)OC1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 807806676 MNONIWRRPZXOTL-LBPRGKRZSA-N 408.480 0.849 30 20 HCED C#CC[C@]1(C(=O)OCc2cc(=O)n(C)c(=O)n2C)CCCN1C(=O)OC(C)(C)C 808596800 GHTNETGTFOVHFB-HXUWFJFHSA-N 405.451 0.920 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CCS(=O)(=O)CC(=O)OC(C)(C)C 808734228 PHVAVUNLZJMQCL-CQSZACIVSA-N 409.512 0.615 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCOC 812932809 GYFVPRBLEHZGOC-UHFFFAOYSA-N 413.499 0.679 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 815860701 XDIAQYOCPSBWSH-UHFFFAOYSA-N 411.466 0.558 30 20 HCED COC(=O)c1ccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 819122232 NQMQDELBBRJJIE-UHFFFAOYSA-N 401.444 0.871 30 20 HCED CC(C)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 913164641 PYZREPUBHMCGOB-UHFFFAOYSA-N 408.524 0.732 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CCOC 916200949 WYBYBGFEBDPNEW-UHFFFAOYSA-N 420.494 0.910 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 916871449 WBPOUKMQZDEDGS-RHSMWYFYSA-N 413.430 0.937 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccsc2)CC1 918355776 SRPVLRSYGREJMB-UHFFFAOYSA-N 418.500 0.771 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C(N)=O)cn1C 1003121006 RBPWPWTYFJDFBM-JLOCXQCDSA-N 400.479 0.967 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1004332279 PMTHEECSXGQYMX-SUJAAXHWSA-N 404.467 0.110 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(F)c1 1116115466 MKIFKWCNBCOYJC-UHFFFAOYSA-N 422.482 0.822 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1286969673 QSWBHNBIMSGNQG-KBPBESRZSA-N 410.500 0.618 30 20 HCED C[C@@]1(CO)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@]1(C)CO 1307996499 RGDAZDFQENUMOI-ILWGZMRPSA-N 418.513 0.847 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1359142894 QCXFUOBMQNJUKZ-NEPJUHHUSA-N 404.924 0.698 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(Cc2ccccn2)CC1 1453248972 TXIJRBJXNVFZNU-UHFFFAOYSA-N 414.487 0.716 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnccn1 1554504344 BBHALDOZFKPGOW-UHFFFAOYSA-N 412.479 0.792 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCOCC1 1611308960 WJFBBOBOOUMCIU-LSDHHAIUSA-N 424.527 0.167 30 20 HCED C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(OCC#N)c1 1617233146 QMPRCOFUUYNOSQ-MLGOLLRUSA-N 409.489 0.995 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC[C@@H](C#N)C2)c(O)nc1=O 1620566230 OOVQDXGVMYLQKV-AWEZNQCLSA-N 406.487 0.546 30 20 HCED N#Cc1cn(CCC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)c(=O)nc1O 1628434739 UIOBOLLOLBJQAP-GOSISDBHSA-N 411.462 0.270 30 20 HCED N#C[C@@H]1CN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CCN1C1CC1 1635638683 YTSSBWWYOSLQMA-AOIWGVFYSA-N 400.454 0.529 30 20 HCED NC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1c1ccccc1 1638093185 RMNKBXHHNJBYPN-JKSUJKDBSA-N 412.471 0.453 30 20 HCED CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706203138 PRAYXYVNDBAURD-HNNXBMFYSA-N 410.482 0.593 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccncc1 1751235626 NTNQSHFWPNMSDE-HIFRSBDPSA-N 405.484 0.255 30 20 HCED CNC(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1767637003 TYTUOWWEHCXATL-SJORKVTESA-N 423.477 0.560 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1778877868 DDPBILJUKLFVFR-FOIQADDNSA-N 404.467 0.137 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779051512 NACKQGSZKSWEOM-QINHECLXSA-N 403.483 0.698 30 20 HCED Nc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cs1 1779104144 GISWUJIPCRWQQJ-GXCPCUBXSA-N 423.495 0.698 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1779106453 OLFTYTXDYMAGBM-JJOCEZFHSA-N 420.466 0.884 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1779140565 ACSANNPRGCNQJH-MHRHTVJOSA-N 412.446 0.872 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779607744 FTSSVZGOPKJJML-ZHRRBRCNSA-N 423.473 0.954 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 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413.925 0.991 30 20 HCED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)N(CCC#N)CCOC 410152589 YANUSTZLAFHDKG-KRWDZBQOSA-N 407.496 0.521 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cs1 410160070 RHUFPCMSPUZZCL-LLVKDONJSA-N 407.543 0.094 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)C1=O 440262299 WQIFMANLSVPUNR-INIZCTEOSA-N 423.491 0.291 30 20 HCED N#Cc1ccc(C(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1O 442926960 XYNDDLICGYDNRV-UHFFFAOYSA-N 406.386 0.855 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 443022713 IUQSZTPRKDRMRY-UHFFFAOYSA-N 424.866 0.194 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 445641830 IUQHORQJFDNNIF-VQIMIIECSA-N 409.490 0.819 30 20 HCED CCOC(=O)[C@@](C)(NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 466374389 RZGDPSRHKDGCLZ-XIKOKIGWSA-N 419.463 0.709 30 20 HCED CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C[C@@H]21 473321487 BPLKTVLKNNVEOE-ZFWWWQNUSA-N 412.368 0.979 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3nnnn3C)nnc12 473379839 OAPCYUCXJJROJY-UHFFFAOYSA-N 411.451 0.162 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477184053 BOOQVAWIISSPGJ-UHFFFAOYSA-N 402.407 0.620 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480308023 XDNGTIGQBAXMOQ-HNNXBMFYSA-N 421.523 0.831 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 480931219 SHFQRIROCMGUOF-UHFFFAOYSA-N 402.523 0.904 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C(=O)N(C)C)CCCC1 482198985 MXMBUPHMGWOXEW-CQSZACIVSA-N 406.508 0.990 30 20 HCED COC(=O)CC1(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCOCC1 487998750 IUQYAXXXRYTZCU-UHFFFAOYSA-N 409.464 0.407 30 20 HCED CC(=O)N1CCN(C(=O)CN2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 500581945 XJQJZLOORFHWMT-UHFFFAOYSA-N 406.490 0.919 30 20 HCED CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 502896503 PDHFLHXLFAIBSJ-HNNXBMFYSA-N 422.536 0.604 30 20 HCED COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C(=O)OC)C1 506035623 HXEMWACFYLNQGC-ZACQAIPSSA-N 408.499 0.105 30 20 HCED COC(=O)c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1Br 508339963 JSILBFSKNQWJTH-UHFFFAOYSA-N 421.211 0.454 30 20 HCED C[C@@H]1CN(Cc2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)C[C@@H](C)O1 508340517 LBIDGLRTSFQJMH-HUUCEWRRSA-N 411.466 0.514 30 20 HCED C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(N)=O)C1 508504491 KMBSSPAPDUMJAO-OAHLLOKOSA-N 409.450 0.551 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1CCOC(C)(C)C1 508999411 PPSLGSPCLLZQJC-CQSZACIVSA-N 400.549 0.621 30 20 HCED C=CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 513229961 ISOHTYIIGSFYPJ-GFCCVEGCSA-N 402.450 0.814 30 20 HCED NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCC#Cc3cccc(F)c3)CC2=O)c1 513918827 PQIRBPRSYRPPBI-OAHLLOKOSA-N 415.446 0.994 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)s1 521288211 JINYVHQKZMTYPQ-UHFFFAOYSA-N 416.572 0.738 30 20 HCED C=CCN(C(=O)NCCN1CCCS1(=O)=O)[C@H](C)c1cccc(-n2cnnn2)c1 521796779 IRZJQAZMQPLMQF-OAHLLOKOSA-N 419.511 0.956 30 20 HCED CC(C)N(CCNC(=O)C1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1)C(C)C 521901516 MPQPLTSQVXCCLV-UHFFFAOYSA-N 418.542 0.407 30 20 HCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(CC(N)=O)c1=O 526038157 QECGSDLBTGQGRO-OAHLLOKOSA-N 411.483 0.202 30 20 HCED N#Cc1ccc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Cl 532706791 XHROKMKSCHTQDU-HOTGVXAUSA-N 412.899 0.238 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1 536034506 DISMHFXIXYQTBL-ZDUSSCGKSA-N 410.414 0.899 30 20 HCED COC(=O)CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H](C)C1 539376909 GDPVYWSUAJXLJE-HNNXBMFYSA-N 422.507 0.506 30 20 HCED C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCN1S(C)(=O)=O 540634618 PCQQFHIBLSTUOO-AWEZNQCLSA-N 413.521 0.870 30 20 HCED Cn1ncc2c1C[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 547379272 PJCIBFPTAGQRJE-MRXNPFEDSA-N 413.503 0.930 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2csc(C)n2)c1=O 548618863 ZIYJBFVGNIYOTR-CYBMUJFWSA-N 419.528 0.820 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 550646748 HRRJYZFDBVYMRR-YJBOKZPZSA-N 413.478 0.007 30 20 HCED Cc1ccc(C(=O)NCC2(S(C)(=O)=O)CCCC2)cc1S(=O)(=O)NCC#N 553235082 CLIBIXPVFYOYHI-UHFFFAOYSA-N 413.521 0.884 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2S(N)(=O)=O)cc1 557984958 FSVMLPRRLRCLIJ-UHFFFAOYSA-N 409.489 0.728 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN(C)c3ccccc3)CC2)c1C#N 559404432 IMAPULYJRAHILW-UHFFFAOYSA-N 423.521 0.892 30 20 HCED COc1cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccn1 574468360 HHROKDJEGJPBMS-KRWDZBQOSA-N 407.430 0.495 30 20 HCED CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577555686 PZTFZKDJJAHBPB-OALUTQOASA-N 411.506 0.574 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)n1 577565048 HRINEMMIHBJDCD-AWEZNQCLSA-N 415.413 0.999 30 20 HCED Cc1c(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cccc1-n1cnnn1 581839144 SFTHKXNGLVQPTN-OAHLLOKOSA-N 418.417 0.856 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCOC[C@@H]3CCOC3)C2=O)cc1 588107124 YEVKLHCPVDFRLI-AEFFLSMTSA-N 414.462 0.339 30 20 HCED C=CCOc1ccc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 605378382 POTULIPLQFTMBS-KRWDZBQOSA-N 403.479 0.923 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608981666 NRYDXLQHTQPRJI-INIZCTEOSA-N 407.496 0.784 30 20 HCED Cc1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc2c1c(=O)n(C)c(=O)n2C 609968792 HNIOUEFSQJXAFS-UHFFFAOYSA-N 419.445 0.170 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 610548167 LTHUQPGTETWWQM-KRWDZBQOSA-N 403.464 0.751 30 20 HCED C[C@@]1(C#N)CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 612366979 JNIIQHQHUUHZEC-YEWWUXTCSA-N 422.463 0.871 30 20 HCED CN(CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O 617013733 CFOUIGVTEFOQNX-INIZCTEOSA-N 407.496 0.240 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CC1 728533681 OVNXMYOYUIUFJH-UHFFFAOYSA-N 424.545 0.751 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(=NN=c3nc4[nH][nH]cc-4c(O)n3)CC2)cc1 731154425 LBAJSFROPFUHCX-UHFFFAOYSA-N 417.451 0.693 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 733888315 WDQPEWGWEXZKSF-VXPUYCOJSA-N 412.446 0.896 30 20 HCED COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(C#N)cc1 740235818 DBJRVMMWXXHZDC-MRXNPFEDSA-N 406.420 0.336 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(C)ns3)CC2)c1 742192017 PGWOZDYXSAQUGW-UHFFFAOYSA-N 405.505 0.720 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccccn3)c2=O)cn1 743726314 MOPHAMOXEPLBBD-UHFFFAOYSA-N 406.471 0.417 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 745011467 HWQIRFASGJVVBI-IUODEOHRSA-N 409.420 0.429 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)cc1 746354595 WGCSHQSINLNCDJ-UHFFFAOYSA-N 418.479 0.692 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc4cnccn34)nc2)CC1 746370792 NMGBVYQDJSSWOG-UHFFFAOYSA-N 400.468 0.506 30 20 HCED N#C[C@H]1COCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 748342704 PVAWBTFJUWSLOV-UONOGXRCSA-N 405.432 0.375 30 20 HCED C#CCN1CCN(C(=O)CN(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 748824705 NXXVFOOXZPWNKR-FQEVSTJZSA-N 414.506 0.518 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCNC3=O)CC2)cc1 748934666 XADNCCPERAPWPG-UHFFFAOYSA-N 404.492 0.618 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@H](C)C(=O)NC)C1=O 751924843 OKMVKTGUULLGEY-YGRLFVJLSA-N 405.480 0.847 30 20 HCED COC(=O)[C@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 752680184 SNNPONIZRVDNDO-OAHLLOKOSA-N 423.491 0.686 30 20 HCED COCCN(C(=O)CON=C(N)c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 754278871 ZSPKPNFQXJXCRQ-INIZCTEOSA-N 412.512 0.052 30 20 HCED C#C[C@H](CC)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 754372406 YPHZGQCJKJISBQ-ZJCQAOIJSA-N 412.533 0.908 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCc2ccc(S(N)(=O)=O)cc2)cc1 767582212 TXQCSKBQNODDRZ-UHFFFAOYSA-N 422.484 0.906 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(Br)ccc2F)c(=O)n(C)c1=O 771891103 SEQSXIBBLNNWOJ-UHFFFAOYSA-N 419.232 0.298 30 20 HCED COC(=O)c1cncc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 773591822 GONAGMNYOUWDBS-UHFFFAOYSA-N 413.390 0.542 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1ncon1 778951193 HEODHOIIMQHSQQ-CYBMUJFWSA-N 405.436 0.488 30 20 HCED COC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 779561848 IDIBXIQGXWLTLR-HNNXBMFYSA-N 405.436 0.047 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCOC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 783481155 NSXGEFWVOSTEQW-CQSZACIVSA-N 412.439 0.438 30 20 HCED C=CCn1nnn(CN2CCN(S(=O)(=O)N(CCC)CCC)CC2)c1=S 792715584 JSDPJROQXGGEQI-UHFFFAOYSA-N 403.578 0.937 30 20 HCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)OC)C1 802530791 CLWKNYXZXSMXPL-INIZCTEOSA-N 401.423 0.753 30 20 HCED C#CCN=c1nc(N2CC[C@H](C(=O)OC)[C@@H]2C)[nH]c(N2CC[C@@H](C(=O)OC)[C@H]2C)n1 804645992 JUKTWMUBHABNHR-NMWPEEMBSA-N 416.482 0.114 30 20 HCED CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 805823893 PHIBDYNEIIYIDD-UHFFFAOYSA-N 418.483 0.053 30 20 HCED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 808277611 ULLVYHUHXMPXAH-UHFFFAOYSA-N 401.466 0.563 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)C1=O 809427550 JQQHBNRLOASTBS-MRXNPFEDSA-N 400.435 0.505 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 816995656 YUOMQMBKBZVUQY-UHFFFAOYSA-N 411.443 0.447 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 831424537 NIKDFQHFDXCOGS-SNVBAGLBSA-N 417.827 0.598 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)c2ccccn2)CC1 914610443 QMGGZEVNGZDPBW-UHFFFAOYSA-N 413.459 0.105 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCOC2)cc1 918465430 MGDQJEPYFJIICO-PFKVCDDJSA-N 422.507 0.981 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)COC(=O)COc2cccc(C#N)c2)CC1 919416842 KOASBSWTGMEDRC-UHFFFAOYSA-N 416.478 0.539 30 20 HCED 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C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837234615 JBGRNAPKUSNVKN-CLYVBNDRSA-N 418.581 0.521 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837446687 MNNMBAJPUZUPGB-NVAXRVGSSA-N 421.473 0.696 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487190 ZWERSZHFSJAYKO-JOCHJYFZSA-N 417.506 0.691 30 20 HCED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561456 MEXPDFXLIDXZFM-YUSOBQLHSA-N 415.450 0.202 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839226904 XXWXATKUBIYNSN-AUUYWEPGSA-N 424.454 0.038 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncon4)C3)C2)c1 1839421505 UXTSUQCRPDKWAW-IBGZPJMESA-N 415.381 0.464 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1840162161 NXPFELTXHVURDH-BZNIZROVSA-N 400.888 0.518 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840162509 YXXSPQUNCNWNJA-YMTOWFKASA-N 423.417 0.212 30 20 HCED NC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1 1840645760 KWLHQFBJKGCMFX-JOCHJYFZSA-N 411.458 0.269 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)[C@H](O)C1 1841024553 GGPQETGPGDIKKM-HUUCEWRRSA-N 406.483 0.721 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cccc(OC3CCOCC3)n2)C1 1844606535 ZITADHFRVDXELP-UHFFFAOYSA-N 413.430 0.544 30 20 HCED COc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 64455997 RCVAFLXWNFAMDC-UHFFFAOYSA-N 414.443 0.940 30 20 HCED C[C@@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 143179275 VCEUYBRNTPZJJF-AWEZNQCLSA-N 409.468 0.519 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCc2ccc(S(N)(=O)=O)cc2)CC1 303700098 HIYACEPPRAHAME-UHFFFAOYSA-N 411.528 0.744 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 304934937 HNDUNISOOHXFOJ-DARAHFNDSA-N 403.483 0.319 30 20 HCED CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)N(CCC#N)CCOC)cn1 410400340 HVMHNMGCAXSBKE-ODCWNRFASA-N 403.530 0.115 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O 427902723 ICUDZNYFGQEIKT-IAOVAPTHSA-N 405.476 0.822 30 20 HCED Cn1c(=O)c2cc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cnc2n(C)c1=O 432651806 CIGHHQYCTJBBJR-CQSZACIVSA-N 421.417 0.584 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)cc1 434594723 FTNUHOXSRFSIEJ-UHFFFAOYSA-N 401.467 0.914 30 20 HCED CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443095247 RGXBIFXQSMLPIE-LLVKDONJSA-N 402.454 0.559 30 20 HCED CN(CC1(O)CCOCC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 444524629 JCDKYBWLZZOYHR-UHFFFAOYSA-N 421.519 0.959 30 20 HCED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 445173452 OTRKOXRLXQNVPJ-RBUKOAKNSA-N 407.426 0.945 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cn1 460588161 VCGKJCRUNPCOBA-QGZVFWFLSA-N 415.413 0.777 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460609589 XHXWFALFXZXJSV-UHFFFAOYSA-N 417.429 0.852 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 464206769 HFYALWCSQQNBTE-OAHLLOKOSA-N 406.508 0.884 30 20 HCED Cc1nsc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 469656509 QTDXPJHHVXSJGV-UHFFFAOYSA-N 420.520 0.688 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1=O 475825144 DSPCTKKBZKVJJH-DLBZAZTESA-N 412.446 0.329 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@]2(C#N)CCOC2)CC1 478656971 CYMFKHXWGWPZCH-IBGZPJMESA-N 421.475 0.673 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nncn2C)C1 480797386 FGEXDEAFMHERLU-DZGCQCFKSA-N 402.480 0.760 30 20 HCED CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481250298 CFXYFHBNAPNHNF-GOEBONIOSA-N 406.508 0.990 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482499155 DDRWNABMDLVYRY-GJZGRUSLSA-N 422.507 0.321 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4cnccn4)CC3)C2=O)cc1 487512164 YUNSRNBUQXECKN-GOSISDBHSA-N 405.462 0.981 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 490275587 UYNAMUOZHOIWCW-UHFFFAOYSA-N 408.480 0.778 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CCSC)cc2)CC1 491097679 BHOMEVKKBODFDF-UHFFFAOYSA-N 404.536 0.977 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccnn2-c2ccc(C#N)cc2)n(C)c1=O 497919429 LRIGBSKUGQUWBH-UHFFFAOYSA-N 404.390 0.130 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCSC[C@@H]2CO)CC1 501533473 AJCMYWKAYLOQMT-AWEZNQCLSA-N 417.491 0.865 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCC)C23CCCC3)CC1 503807795 BHOPEUHFORIZER-IAGOWNOFSA-N 406.527 0.287 30 20 HCED CN(C)C(=O)[C@H]1CSCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505429873 VDYZTTDSLNUKCK-HUUCEWRRSA-N 415.475 0.753 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 507763764 POMZFGXYSNEDDS-RDJZCZTQSA-N 416.478 0.844 30 20 HCED C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 507779354 ULZLXZVIFKHZPP-YJBOKZPZSA-N 423.477 0.458 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512751462 ZGUNQBPOCFOPBD-CYBMUJFWSA-N 400.414 0.658 30 20 HCED CN(CC(=O)NC1CCN(c2nccn2C)CC1)S(=O)(=O)c1ccc(C#N)cc1 527261527 FTZTYZCUHAUYRB-UHFFFAOYSA-N 416.507 0.697 30 20 HCED CCN(C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1)S(C)(=O)=O 537005476 XLSCWMVLDZKWKD-UHFFFAOYSA-N 424.527 0.721 30 20 HCED C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 537138588 YTCKWHARQBKATO-IYBDPMFKSA-N 424.523 0.758 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 553124874 CSKMAQMGHKLLJU-MRXNPFEDSA-N 415.469 0.719 30 20 HCED CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCn1cnc(C#N)n1 567457549 VZFBMYSVYXOXSS-AWEZNQCLSA-N 417.451 0.726 30 20 HCED N#Cc1ccc(S(=O)(=O)CCn2c(C(F)(F)F)ccc(C(N)=O)c2=O)nc1 574430797 QACVVADMFDJLMF-UHFFFAOYSA-N 400.338 0.707 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)o3)cc2)CC1 581450481 IOWAGTOUEWGWLF-UHFFFAOYSA-N 410.477 0.888 30 20 HCED Cn1ccnc1N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589493834 RCXRPVIZJZMKBE-UHFFFAOYSA-N 402.480 0.355 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3cncc(C#N)c3)cn2)C[C@H](C)O1 589553593 OMDCOSJCQMWLRB-STQMWFEESA-N 404.452 0.586 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604168896 LPUDIKZDJCBJEZ-UHFFFAOYSA-N 423.429 0.792 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CC[C@@H]3NC(=O)NC3=O)c(C#N)c2N)cc1 604235775 FCBHPJSQQSSMCL-INIZCTEOSA-N 409.450 0.672 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 615628845 DZACFRZTXIZHCC-QGZVFWFLSA-N 410.427 0.110 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1Cl 619838148 PLURGGOFRJKGCL-UHFFFAOYSA-N 412.837 0.798 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)NCC#CCO)C(C)C)c1 670447637 LMMPDHNRPVBSMV-GOSISDBHSA-N 423.535 0.583 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 678918543 BAULGTGBABHULE-HNNXBMFYSA-N 423.539 0.963 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1=O 726043710 QJBOXDOLRSRSGR-UHFFFAOYSA-N 416.390 0.472 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCCc2ccc(OC(F)F)cc2)CC1 728572357 ATZVPDGHVMMDOW-UHFFFAOYSA-N 408.449 0.314 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1 729153316 KRMTYVUKPZCPPK-AWEZNQCLSA-N 409.464 0.861 30 20 HCED Cn1cc(CN2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)cn1 729988210 DUKSJKHVQPKVPW-UHFFFAOYSA-N 407.478 0.831 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1F 730083803 WMHUGKNFKDPFTG-DLBZAZTESA-N 411.499 0.961 30 20 HCED C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCC#N 731233033 FLUMXWOKGFUTCN-SJKOYZFVSA-N 405.432 0.050 30 20 HCED C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734036688 NHQVQDKHFFUFHZ-CQSZACIVSA-N 421.475 0.431 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC1 746187370 MPSOSFLXRCODSF-MUUNZHRXSA-N 404.488 0.944 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)c(OC)c2)c(=O)n1CCOC 746483774 MMAGMZZPGZOCNR-UHFFFAOYSA-N 419.528 0.536 30 20 HCED CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CC2)c1=O 755661160 KWWFWGWMTQWXBF-UHFFFAOYSA-N 411.531 0.885 30 20 HCED Cc1nn(CN2CCN(c3nccnc3C#N)C[C@H]2C)c(=S)n1CC(=O)N(C)C 756875745 KAGKDPSMQPDTEG-CYBMUJFWSA-N 415.527 0.641 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCO1 761488431 KEOLHKQHDLIIIO-KGLIPLIRSA-N 420.470 0.876 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CCS(C)(=O)=O)c1C 761951801 CIZRPBRHYAXCTR-UHFFFAOYSA-N 403.464 0.802 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccn(C)c2)c1=O 763447525 YLVKIFZNYQRTRM-UHFFFAOYSA-N 402.520 0.704 30 20 HCED N#Cc1ccc(N2CCC(NS(=O)(=O)N3CCC4(CC3)OCCO4)CC2)nc1 766799093 DNFURMRXSLXWLK-UHFFFAOYSA-N 407.496 0.595 30 20 HCED CN1CCC2(CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1=O 772933579 HPLKRHWFRKYMBS-UHFFFAOYSA-N 404.492 0.586 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)CN(C(=O)OC(C)(C)C)C[C@H]2C)C1=O 778152648 UDKHXVBAUZDHDR-BETUJISGSA-N 408.455 0.820 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccnc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 783480494 RCOXJOMKQZEDBV-NSHDSACASA-N 401.391 0.313 30 20 HCED N#Cc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cccc1S(N)(=O)=O 784555581 NTNOSJWHAMCCFZ-UHFFFAOYSA-N 420.516 0.858 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC3(CC2)COC(=O)N3)n1 785083469 KHJGPFOGKQUJIB-UHFFFAOYSA-N 412.381 0.923 30 20 HCED C[C@H](CC(=O)N1CC[C@@H](N2CCCC2=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 791071928 CYJWAXMMUJQEMK-ZIAGYGMSSA-N 404.492 0.727 30 20 HCED N#CCc1ccccc1S(=O)(=O)NNc1ccc(S(=O)(=O)NC2CC2)cn1 794581206 RATUJTIBLWRJHV-UHFFFAOYSA-N 407.477 0.894 30 20 HCED C=CCN1CC[C@H](OC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1=O 798573877 FKCURPGHZZEODY-INIZCTEOSA-N 421.475 0.422 30 20 HCED CCCn1c(O)nc2cc(S(=O)(=O)NC(=O)[C@H](C)n3cnc(C#N)n3)ccc21 798814525 WJMPMIUOMZGBFA-JTQLQIEISA-N 403.424 0.681 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 800071746 QOBLTLMEDZHMBT-UHFFFAOYSA-N 400.423 0.484 30 20 HCED C#CCn1ccc(CN(CC)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 805769941 ZGAFITDJPVKGRF-ZDUSSCGKSA-N 409.434 0.870 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCS(=O)(=O)N1CCOCC1 806644420 VGJLIMJUKCIGPZ-UHFFFAOYSA-N 401.485 0.522 30 20 HCED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 808278658 CPSYYQDMDLCXBM-UHFFFAOYSA-N 402.494 0.363 30 20 HCED N#CC1(OCCOC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCOCC1 809081999 NXYFQWLSVMSKOA-UHFFFAOYSA-N 405.363 0.953 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCC2=O)c1 917692121 VVYFVOJCHGOEGS-HKWRFOASSA-N 406.464 0.977 30 20 HCED Cc1nc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 1208271558 JISCLROQDPFRSB-UHFFFAOYSA-N 411.465 0.086 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1296665396 VRNVJJSSMOOKFN-KXBFYZLASA-N 404.471 0.185 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1314872466 ZCLIGDOXWOIOCE-LJQANCHMSA-N 418.523 0.963 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2ccccc2Br)CC1 1319774071 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C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840160939 ZCOZHDLTVIROAD-IFXJQAMLSA-N 404.492 0.723 30 20 HCED CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)OCC 1840165840 LUPBJUZKRYJTGV-KDOFPFPSSA-N 404.529 0.550 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840172177 XINUDDBPSWZISO-VGSWGCGISA-N 419.522 0.810 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840356764 CJVYCHIAVHWUFJ-HXUWFJFHSA-N 421.498 0.107 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840566298 FXKYBOALMPMADE-IQTGRTGDSA-N 420.510 0.495 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 10733772 ZFWHVVRWTJZYNY-IBGZPJMESA-N 423.491 0.919 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 410138956 AKLZSEDINVVBSL-HNNXBMFYSA-N 423.491 0.372 30 20 HCED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1=O 410305126 GQWIFQLTENBJJC-GOSISDBHSA-N 421.519 0.957 30 20 HCED CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 437735431 KLZHGZDCUZDHMK-NZSAHSFTSA-N 420.535 0.889 30 20 HCED CC[C@@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 439277945 VPSMCDBMNCSHSJ-FQEVSTJZSA-N 420.535 0.628 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCN2CCCOCC2)n1 446225039 DUDNBKIXJFFSQP-UHFFFAOYSA-N 400.414 0.660 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 446791754 VQBGFLVRNNSWAS-SFHVURJKSA-N 409.494 0.620 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CCO)C3CCOCC3)n2)c(F)c1 461788730 KQWOBFLWVASCHM-MRXNPFEDSA-N 415.425 1.115 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 463791168 QGUZIFXDGMNJTI-UHFFFAOYSA-N 406.468 0.242 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cnn(C)c1 471193516 HBUZXDKGGDXUGY-UHFFFAOYSA-N 402.480 0.261 30 20 HCED Cn1ccnc(N2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)c1=O 473896265 LUUNDXXGZTXKQI-SFHVURJKSA-N 420.473 0.492 30 20 HCED Cn1ncc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1C#N 474899277 ZXAAQSZTIWCHRR-CQSZACIVSA-N 403.464 0.679 30 20 HCED N#C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475195848 IFIOFKRZOBVKFJ-CXAGYDPISA-N 420.491 0.891 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 477957184 FBHHUEACNPFETH-AWEZNQCLSA-N 411.505 0.999 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 481515116 ARVGDHNRHAIHDY-GFCCVEGCSA-N 404.452 0.148 30 20 HCED C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CN1CCN(C)CC1 482172584 DBVMMKFFYLVOLO-HZPDHXFCSA-N 407.540 0.225 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cn(-c3ccccc3)nc2C)CC1 483359184 WKJHCZADCMHLEW-UHFFFAOYSA-N 424.505 0.243 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(S(C)(=O)=O)CCC1 484922916 DVYZWSUUJVULJW-UHFFFAOYSA-N 409.464 0.605 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCC(=O)NCC(F)F)ccc21 485336392 GTKINFHKVTZRPC-UHFFFAOYSA-N 421.404 0.706 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](COCC2CC2)C1 485577898 LZOPMBMUIXEURS-WMLDXEAASA-N 407.492 0.879 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 486015598 JWWDGSBIZKHWSF-AWEZNQCLSA-N 402.432 0.590 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 498175802 FSHWKAOOCIBHBG-IYBDPMFKSA-N 406.508 0.599 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 500375560 FOMKGKZDMSPFDO-CYBMUJFWSA-N 402.407 0.176 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 507507638 OYKHJHZVSOEJJU-UHFFFAOYSA-N 422.551 0.777 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)n1 508364203 XXEIMWSNRZZGAT-UHFFFAOYSA-N 413.507 0.496 30 20 HCED C=CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1cccc(C#N)c1 519904025 OCEHHCXYNAKYJC-FQEVSTJZSA-N 416.547 0.878 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 531319471 JBAXSIDUGBTCDS-UHFFFAOYSA-N 421.461 0.450 30 20 HCED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377944 JDRRVZCMSLOWDM-ZDUSSCGKSA-N 408.480 0.015 30 20 HCED C[C@H](N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccccc1 533379670 YXCUZKTXMZLIIC-UHOSZYNNSA-N 420.535 0.409 30 20 HCED COC(=O)c1cccc(COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)c1C#N 533714033 AULXPFMKQWRZPH-UHFFFAOYSA-N 415.431 0.969 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542067638 SKDJVLKJXQUTAO-UHFFFAOYSA-N 410.843 0.001 30 20 HCED COc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1C 547840156 SSMPNCIPCDANIO-UHFFFAOYSA-N 404.452 0.839 30 20 HCED C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 551067630 IWMIGYOMZQFWDO-UHFFFAOYSA-N 415.431 0.751 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)c1 559331075 FZXAWXYKLFZIAV-UHFFFAOYSA-N 400.479 0.767 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cn2)CC1 564414988 ZOZBBVMHMMVWFJ-UHFFFAOYSA-N 404.452 0.185 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2nnnn2-c2ccccc2)c1 565866278 QRYSBZXTJFDKTR-UHFFFAOYSA-N 411.447 0.171 30 20 HCED CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)S1(=O)=O 567575497 LPBBBIREDNGQTA-KCQAQPDRSA-N 413.521 0.649 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 570995901 RJRPESIUAWIURU-HXUWFJFHSA-N 416.551 0.993 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)C1=O 572066928 KZIPXSRMXMETOI-INIZCTEOSA-N 407.492 0.212 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 573884896 JGQDENIETRNPOH-HZPDHXFCSA-N 422.555 0.109 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1CCN(c2ccncc2)CC1 579514046 YQDQECSHZVGQBI-UHFFFAOYSA-N 424.509 0.682 30 20 HCED CC(C)(CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)N1CCOCC1 580440344 CPQDPABZHOTKCJ-UHFFFAOYSA-N 417.485 0.573 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)c1 590997513 YGTQVBBYZIEISJ-UHFFFAOYSA-N 411.483 0.615 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604096342 JKCGPYHKVSOTQI-HNNXBMFYSA-N 421.523 0.879 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)s1 609157947 QUZDTLPHQKCEDS-UHFFFAOYSA-N 400.526 0.621 30 20 HCED N#Cc1ccc([C@@H](N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C(N)=O)cc1 609676781 UQFXHDXAJHXSBE-WIYYLYMNSA-N 421.505 0.970 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1F 615628650 BWJIBFNVDKNRGZ-WLRWDXFRSA-N 422.388 0.910 30 20 HCED CC[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 616866074 LRHINLBNITYRCR-LJQANCHMSA-N 406.508 0.550 30 20 HCED Cc1nnc2ccc(C(=O)NCC#CCNC(=O)c3ccc4nnc(C)n4c3)cn12 680339602 IZISBIQBIPRKEA-UHFFFAOYSA-N 402.418 0.552 30 20 HCED CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 728347896 PDHMKLFAPMYWTM-UHFFFAOYSA-N 409.464 0.361 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 728573042 JKJGOGJVVOOUOT-UHFFFAOYSA-N 408.256 0.959 30 20 HCED CS(=O)(=O)NCCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 730600518 RPAASXKGUJNMHH-UHFFFAOYSA-N 415.493 0.051 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(c2ccccc2)CC1 732446080 WQYOMTSEFIIQPZ-VXPUYCOJSA-N 412.494 0.634 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732466641 QGNVQDSYRXSDRT-GGNAOWBESA-N 407.471 0.086 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1 733149146 ZJLAYSBJDYUIPG-XDJHFCHBSA-N 407.478 0.263 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 733807107 RXSDMRWTNKUJSW-QGZVFWFLSA-N 413.478 1.000 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)Cc3ccc(OCC#N)cc3)CC2)cn1 741203788 FFSZFLVQGGUXBX-UHFFFAOYSA-N 417.491 0.834 30 20 HCED NC(=O)NCc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 742388967 BCPKLSGNCDCLEV-UHFFFAOYSA-N 401.448 0.922 30 20 HCED C#CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 743971788 DMDWYIYMWBNLBP-UHFFFAOYSA-N 406.508 0.481 30 20 HCED COc1cc(C(=O)O[C@H](C)C(=O)N(C)CCC#N)cc(NS(C)(=O)=O)c1OC 745539284 ROFRPJAJFUYOOG-LLVKDONJSA-N 413.452 0.993 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 748815698 PBIHWZGCSKFHGO-UHFFFAOYSA-N 414.506 0.239 30 20 HCED O=C1CC2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CN1 752657082 HDQQFYFMSWWKLC-UHFFFAOYSA-N 404.492 0.634 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCNC1=O 753087370 RNGQXRLRGLPJPV-CQSZACIVSA-N 406.508 0.928 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 753887690 VFWQGJLCWPASIF-CQSZACIVSA-N 423.491 0.573 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 758076548 PFAMIEKTRDGNLJ-UHFFFAOYSA-N 401.451 0.249 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)CNC(=O)c2cccnc2)cc1 761504534 OLDGJAYDBZAUJA-CQSZACIVSA-N 401.444 0.968 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccon1 763457440 APUWBYFXZHDNBF-UHFFFAOYSA-N 411.487 0.704 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 764406058 GAPOUQHLVBXULO-INIZCTEOSA-N 414.890 0.670 30 20 HCED COc1cc(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)ncn1 764448901 RMCCUVUOIHORAE-UHFFFAOYSA-N 414.397 0.814 30 20 HCED CCOC(=O)CN1CCC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 766381768 MGDCBVIGMFFYPS-GOEBONIOSA-N 423.491 0.796 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 766795691 GVTSSCIJJAGJKZ-UHFFFAOYSA-N 419.457 0.987 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)CC1 768114513 VXGUZOXWBDLGNZ-UHFFFAOYSA-N 412.446 0.506 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OC2CCCC2)c(=O)n(C)c1=O 771891151 JRKUQKVGKLBJSG-UHFFFAOYSA-N 406.464 0.718 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)[C@H]1CCCO1 773058333 TYCZDBVAPQAJNE-JCKWVBRZSA-N 407.448 0.209 30 20 HCED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@@H]1CCCO1 775340105 KFXTYQOBYHAODZ-WMZOPIPTSA-N 408.476 0.627 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN3C(=O)OC[C@H]3C2)c(C#N)cn1CCOC 775767790 SUUMQRPYUOPUHW-CYBMUJFWSA-N 405.411 0.851 30 20 HCED Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C2=O)cc1 776141002 UGEWVFFXCXMAHE-SFHVURJKSA-N 406.464 0.758 30 20 HCED COC(=O)c1cnc(C(=O)[C@@H](C#N)C(=O)NCCc2ccc(OC)c(OC)c2)cn1 780306372 VQIXWSFBZLCKKZ-CYBMUJFWSA-N 412.402 0.962 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 783015878 YBOMAPOMGWFKRC-IRXDYDNUSA-N 414.572 0.609 30 20 HCED Cc1cc(N2CCC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 784678770 FDQBCSVTPPWVJP-UHFFFAOYSA-N 402.480 0.542 30 20 HCED N#Cc1cccnc1NCCNc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 786778327 QWBSZAXNRCEPHC-UHFFFAOYSA-N 400.464 0.743 30 20 HCED C#CCN1CCN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 786980096 LKDCTGYNOLZWAZ-UHFFFAOYSA-N 400.545 0.813 30 20 HCED CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 787068392 WJUYLIYYWYTYEC-ZDUSSCGKSA-N 408.418 0.662 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)NCC1CC1)c1cc[nH]n1 789966417 OSXUPBLTEZKZGW-CYBMUJFWSA-N 409.468 0.121 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)cc1C#N 809504346 JKMNFJLEUZRJQC-INIZCTEOSA-N 422.507 0.503 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@]2(C)CCOC2=O)c1 810477107 IJFHCXCKTFFKSO-ALDSOSFCSA-N 422.463 0.260 30 20 HCED CC#CCS(=O)(=O)NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 810774233 VGLBGSHWACYDNR-UHFFFAOYSA-N 408.476 0.838 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 815861743 XMLHVPMVMZRKPG-IAGOWNOFSA-N 414.506 0.946 30 20 HCED CCn1ncn(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1=O 816737882 GPIKMPKWFRPMSG-UHFFFAOYSA-N 406.468 0.434 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCCS4(=O)=O)CC3)CC2=O)cc1 1129816464 PAESYEIZTZNHOP-INIZCTEOSA-N 416.503 0.938 30 20 HCED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1135844080 MBRKBJCTJJJVKO-HNNXBMFYSA-N 410.521 0.606 30 20 HCED CN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1185551955 XOJOXYMDJDVUOD-UHFFFAOYSA-N 415.313 0.763 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1292704228 QXFJHOVJMCONQH-ROUUACIJSA-N 417.485 0.421 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3ncc(C#N)cc3Cl)CC2)CC1 1292921145 XPLNXCJYPWXDGW-UHFFFAOYSA-N 418.929 0.917 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1303636028 KGDIKILVJURGHF-CZUORRHYSA-N 411.466 0.880 30 20 HCED C[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CCN1c1nccn2cnnc12 1319306031 NFNICALLMWZQAU-NIGUIEARSA-N 410.438 0.078 30 20 HCED CCn1cc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1C 1319836266 AEYCPBWCGAFOHU-AWEZNQCLSA-N 401.448 0.941 30 20 HCED COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1518371800 QMRUBYKNUCIAEH-QGZVFWFLSA-N 408.459 0.945 30 20 HCED N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCO1 1521137927 UXJYNWDAHWBHTD-QAPCUYQASA-N 409.512 0.289 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1593809373 YZLAOUTUTHFBKX-ZDUSSCGKSA-N 418.951 0.945 30 20 HCED Cc1nc([C@@H]2CCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1639291839 XXNPXKMZXRINJI-WCQYABFASA-N 402.480 0.946 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)c(=O)nc1O 1641034083 PEVLJEHZTRKTHM-HNNXBMFYSA-N 411.418 0.595 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC[C@H]21 1641510384 HAHVCDBTJGERBG-TZMCWYRMSA-N 403.439 0.678 30 20 HCED 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402.495 0.750 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836725481 HHBIWQHEAUGAOM-GOSISDBHSA-N 405.495 0.557 30 20 HCED CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836826251 LYIXCRSXCXHWJL-UHFFFAOYSA-N 410.536 0.833 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1837486863 RZGKEGCXRIXEMI-OAQYLSRUSA-N 416.478 0.178 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838798866 IPGXRVBQXVHMNH-GOSISDBHSA-N 411.480 0.156 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2C[C@H]2F)CCO3)c1 1839097930 PRRIRDWCZBVDCF-UEXGIBASSA-N 417.437 0.995 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1839175258 YDLBRGOHTGURMX-UTKZUKDTSA-N 422.478 0.645 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839227017 IDEVYZKKRWEYNA-MGPUTAFESA-N 417.466 0.757 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840015150 ZSAUFCQUNITNDG-OXJNMPFZSA-N 410.467 0.131 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840160973 AIONJIDINVCAFN-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840166517 MWRCPMGDMKUIRE-LJQANCHMSA-N 412.508 0.153 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccc1)CCO2 1840348907 RWEDENBOBKYASV-OPYAIIAOSA-N 403.479 0.544 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])CCO2 1840888593 XFJPVBZKYFYMAE-LJQANCHMSA-N 405.382 0.366 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843352574 WMVPDMVMOAIAAO-UMXKZIAQSA-N 405.411 0.234 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314297 VBLFIRLELLJZHU-ZTYNIRBVSA-N 401.492 0.928 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)c1ccccc1 1848067144 CYVSKZIXNRKRRN-FHWLQOOXSA-N 422.485 0.937 30 20 HCED N#CCCN(C(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccccc1 21852111 FIKZCHGCLJYNIC-UHFFFAOYSA-N 414.443 0.974 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 26930612 OPWSCIOBXQURJC-UHFFFAOYSA-N 421.523 0.785 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3ccnc3)CC2)cc1 53510163 HOLMHLXPPUSSQV-UHFFFAOYSA-N 402.480 0.861 30 20 HCED COC(=O)c1cccc(NC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409498430 FHECRSHSEHKSOS-QGZVFWFLSA-N 408.480 0.819 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C 409515669 UWUYVEIDDZBCHC-NSHDSACASA-N 412.476 0.638 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 430402029 RKQUVKZWLBCLEM-XHSDSOJGSA-N 401.529 0.404 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)NCCCOCC)CC1 430410366 WEXHKBRZONXKND-MSOLQXFVSA-N 409.527 0.865 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 438758745 PJVMLDYRYHGUQB-UHFFFAOYSA-N 408.466 0.831 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 439320998 JRAUNBUQQXNSJF-CVEARBPZSA-N 404.515 0.973 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N[C@H]1CCC(=O)NC1=O 440520765 YZNTXCAJPCUQFA-HNNXBMFYSA-N 407.386 0.914 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 463394597 VSJLYASAYFSZBF-HZPDHXFCSA-N 402.480 0.916 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 463732940 ZMNJQZGKXSSPFB-KGLIPLIRSA-N 410.492 0.929 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463772222 ZUFJWEQTZQFRKD-APWZRJJASA-N 400.479 0.654 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(F)c1 467140607 XVHVBWKBXQXFRE-LWWSYDQCSA-N 407.398 0.922 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 467889886 ZBNVDKGSOWSROV-UHFFFAOYSA-N 424.461 0.726 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCOC[C@@H]3C#N)cc2)C[C@@H](C)O1 471238473 JUXYWNJXNXAMCZ-UXLLHSPISA-N 422.507 0.647 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 482490365 NMXKOJMKKMTPMD-LRDDRELGSA-N 408.480 0.012 30 20 HCED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1=O 484417770 BVYAYBNRIRETGY-CQSZACIVSA-N 412.454 0.802 30 20 HCED Cc1ccc(C(=O)N(C)CCCN(C)CCN(C)C)cc1S(=O)(=O)NCC#N 494844202 GOWYWIHYWAFHQU-UHFFFAOYSA-N 409.556 0.752 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)[C@@H](C)O)CC1 498906136 UMFWWFHTKZLVHB-MRXNPFEDSA-N 405.499 0.477 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCOC1 505665947 SSCROLAEAOCNPI-AWEZNQCLSA-N 415.519 0.018 30 20 HCED C[C@H]1CN(Cc2ccccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)C[C@H](C)O1 508351576 WTTVPOQEWMLQOM-GJZGRUSLSA-N 411.466 0.514 30 20 HCED N#C[C@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CCN1Cc1ccccc1 511749938 FJBBCGXZRPNTKJ-INIZCTEOSA-N 402.480 0.157 30 20 HCED Cn1c(Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)c(C#N)c(=O)n(C)c1=O 518041611 YPQLMXZJDQAITG-UHFFFAOYSA-N 400.420 0.288 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 518345978 MOJNFZSFAQLRIQ-MRXNPFEDSA-N 407.496 0.595 30 20 HCED C=CCN1CCC(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 521604186 VECUJVPDLNPQDG-UHFFFAOYSA-N 401.515 0.465 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 523264242 IEMKMMSBNDTDOY-HNNXBMFYSA-N 410.521 0.559 30 20 HCED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nnc(O)n2C[C@@H]2CCCO2)c1 524563391 NKAQZKQPRYJASQ-AWEZNQCLSA-N 405.436 0.124 30 20 HCED COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 526070696 IWUSGXDWPIPSBJ-HXUWFJFHSA-N 402.451 0.722 30 20 HCED COCCCN(CC(=O)NC1(C#N)CCC1)c1c(O)nc(=O)n(CC(C)C)c1N 526303673 DZMQJGHVIVSCRA-UHFFFAOYSA-N 406.487 0.592 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 527340033 SQHAXMSTZQJGKO-UHFFFAOYSA-N 401.427 0.313 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 531145115 UZMDIMIRTHOVFA-QGZVFWFLSA-N 424.417 0.264 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1=O 536503029 XXAMHJKNSSBUTR-UHFFFAOYSA-N 423.473 0.159 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 537005857 OOMDYPVBJQXFES-UHFFFAOYSA-N 413.434 0.827 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 540819465 CNHRQINXJHFNHW-UHFFFAOYSA-N 400.432 0.270 30 20 HCED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCCS(N)(=O)=O 541018892 IDCDJUAAQOLHBR-UHFFFAOYSA-N 416.459 0.789 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 541402422 YNQFEBDQQZSHMU-UHFFFAOYSA-N 410.434 0.756 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1cccc2cccnc12 555876626 GGOAWJPQVAJBGF-UHFFFAOYSA-N 405.462 1.162 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)NCCN(C)C)CC2)CC1 557433303 GDPOBNPXVQAKMC-LJQANCHMSA-N 406.575 0.069 30 20 HCED CN1C(=O)C[C@@H](CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H]1c1nccn1C 563911127 JDKRRUZGKKNFHQ-MAUKXSAKSA-N 406.446 0.517 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 570067301 PGUFLVFAPFYGAE-UHFFFAOYSA-N 406.446 0.060 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 589414916 WQOPEUFUBCYBSK-MRXNPFEDSA-N 405.524 0.121 30 20 HCED N#Cc1ccc(OC[C@@H](O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 603661979 YDUXIDZBZNONHY-SFHVURJKSA-N 416.503 0.768 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C)o3)c2=O)cn1 608884706 SIHVSOAMLIHYGN-UHFFFAOYSA-N 422.466 0.986 30 20 HCED COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610841018 WIOUKWNEWGHJRJ-BBRMVZONSA-N 411.480 0.650 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 611577041 WXTYWOXCKDKLJU-UHFFFAOYSA-N 419.511 0.687 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 613163553 IYMJQZKLKQLUHX-CQSZACIVSA-N 403.468 0.993 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2CN(C)CCO2)cc1 676280003 SKABMZHWYJPFEK-RHSMWYFYSA-N 424.523 0.267 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCC#N)cc1Br 731248940 PCGJVCPJVBHZFF-UHFFFAOYSA-N 404.242 0.496 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1ccccc1)N1CCOCC1 732445577 NYOMHTKPUJBMQM-SKQREZPOSA-N 413.478 0.886 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 741209260 IQJAXCBASIONJG-UHFFFAOYSA-N 406.483 0.054 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 742551552 RAIFSEWRBJHKRO-IDJNSLICSA-N 409.493 0.994 30 20 HCED C#CCCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 744370999 KCHZARRNGNWGKB-UHFFFAOYSA-N 405.520 0.797 30 20 HCED N#Cc1ccc(-c2nnc(COC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)o2)cc1 745480627 ZOEOEUIEMBZCPF-KFZJALRRSA-N 408.370 0.814 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CCC3(CC2)OCCO3)cc1 746441709 MUKWBKPMSYBQSU-UHFFFAOYSA-N 410.492 0.929 30 20 HCED Cc1nc(C(=O)NCCNc2ncccc2C#N)nn1-c1n[nH]c(C(F)(F)F)n1 747211968 IESWFVALWONYJV-UHFFFAOYSA-N 406.332 0.821 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)C1=O 748569472 UIBOINBCTWIZHG-LBPRGKRZSA-N 415.324 0.712 30 20 HCED C[C@@H](ON=Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 749257563 KOAZLXRVNWKDIA-CRAIPNDOSA-N 409.508 0.908 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)n2)cc1 749651800 ZELSDAPDYXBJKY-SJORKVTESA-N 409.450 0.116 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O 750340580 ONZOPXAIJXNKKA-ZDUSSCGKSA-N 405.794 0.965 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2C)c1=O 758068381 KDSLAYALPLGHDI-UHFFFAOYSA-N 407.495 0.522 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758354775 QYYMSZGODOBNGI-HIFRSBDPSA-N 408.503 0.255 30 20 HCED C#CCN1CCC(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)CC1 760021328 OAUQLHCKFISOBH-UHFFFAOYSA-N 406.504 0.736 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 761675051 MJRUECAAWWMIDB-SFHVURJKSA-N 421.523 0.218 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(CCCNC(=O)C(F)(F)F)CC2)cc1 764231122 LMAIKPSVYAKAFS-UHFFFAOYSA-N 404.414 0.933 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OCC(C)C)cc1 771888455 CKVYUJGEIIHXBJ-UHFFFAOYSA-N 408.480 0.821 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(N3CCCCC3)cc2)c(=O)n(C)c1=O 771896713 HEMGKAFHLDZUEP-UHFFFAOYSA-N 405.480 0.387 30 20 HCED COCCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2ccnn2C)c1=O 772277426 IOOJCACAYCHTSC-UHFFFAOYSA-N 412.446 0.815 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)c1cc[nH]n1 772390159 XZHBRXYZCHYSMO-GDBMZVCRSA-N 407.471 0.453 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 773164748 DZIGCBZZVWMQFC-UHFFFAOYSA-N 401.444 0.732 30 20 HCED COc1c(Br)cccc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 774541417 RPOPNYXLBLDNDV-UHFFFAOYSA-N 419.260 0.193 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 776447598 KRNHDUCBHLNEPC-GFCCVEGCSA-N 406.395 0.989 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 777425688 LHOKUYSBLHVVFD-UKRRQHHQSA-N 409.464 0.263 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 778063736 QSZJRPKLFMVAHC-UHFFFAOYSA-N 407.426 0.652 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 781530465 VQRFPWPSSLGUQZ-ZDBRSUKYSA-N 424.523 0.613 30 20 HCED COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787777306 LKHXOCSYPFWGCV-HIFRSBDPSA-N 402.455 0.464 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC2(CC1)[C@H](O)C[C@H]2OCC)c1cc[nH]n1 789981142 KIRRGEKHOGJVKM-HUUCEWRRSA-N 408.455 0.472 30 20 HCED C[C@@H](CC(=O)OCc1ncccc1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 793266429 LIIFRVHYYBZFGE-NSHDSACASA-N 402.432 0.741 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 795385751 KRVOVEJTMMVQBJ-ZDUSSCGKSA-N 409.464 0.719 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)o1 796148492 LXXXZAXRJVVHNC-UHFFFAOYSA-N 419.415 0.968 30 20 HCED C=CCN1CC[C@@H](OC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)C1=O 798638456 PPLSZXDQJYKVMO-QRWLVFNGSA-N 401.419 0.792 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 799271017 RWCHFANLQZDIOT-RISCZKNCSA-N 412.381 0.778 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)NC(=O)OC(C)(C)C 804049135 WGMWFYVMQXKDDQ-CQSZACIVSA-N 416.482 0.631 30 20 HCED CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 806190841 HZVLYGZKQRWZTP-JYRCXFKTSA-N 404.536 0.886 30 20 HCED 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N#Cc1cc(Br)ccc1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 1147764002 JPVZJYLCCBFYIE-HNNXBMFYSA-N 421.295 0.984 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 1194348960 SUSAYARUSUUWMP-UHFFFAOYSA-N 424.508 0.698 30 20 HCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 1263375119 GJTKKEWNHYYPLT-OAHLLOKOSA-N 414.470 0.376 30 20 HCED CN1CCN(CC2(C)CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 1320139733 NTOVAEWAZYOGOC-VHEBQXMUSA-N 418.542 0.572 30 20 HCED COCCCNC(=O)CN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1322840195 VQLYLSYWXWZLKL-INIZCTEOSA-N 415.450 0.374 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN(CCN2CCOCC2)[C@H]2CCSC2)nc1 1473590188 QGDUXXFCGKPJCF-KRWDZBQOSA-N 410.565 0.867 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(C)(C)C(=O)NC 1499164203 LERKUOLDEKMANV-AWEZNQCLSA-N 411.514 0.989 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCOCC1 1541120039 VFMBRYSJYBPHLY-IAGOWNOFSA-N 403.531 0.965 30 20 HCED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 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C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21 1785019410 VYRRYRUSVQJFNV-VGWMRTNUSA-N 416.565 0.463 30 20 HCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cnc(OCF)cn4)CCO3)C2)CCC1 1785362820 KRMVSHLKDHBEFL-LJQANCHMSA-N 403.414 0.920 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1785517965 OSMHQCRZFONMGW-NJRZHNRPSA-N 421.494 0.264 30 20 HCED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1785650056 KYCGCSYOQLAPQS-UGUYLWEFSA-N 419.482 0.879 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3c(=O)oc4ccccc43)C[C@@H]21 1786363850 CEJNBHLOGCUAMF-MPGHIAIKSA-N 412.446 0.878 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnccn3)C[C@@H]21 1788575716 BKLPAQVCFYIZFP-DSLXNQLJSA-N 416.522 0.962 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CCC)[C@H]2C1 1788743405 ULWAJDLBHWNWRR-ATIWLJMLSA-N 423.554 0.844 30 20 HCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)c1 1789257569 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20 HCED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829902623 VBXOMABMSKKLJH-QFIPXVFZSA-N 414.506 0.557 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1830639440 UZVJITFUEPMUCA-FQEVSTJZSA-N 403.483 0.654 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1)C(F)(F)F 1831023324 HKAJROSNOWTCQD-MRXNPFEDSA-N 421.372 0.014 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2 1831094572 TUCHGWBRZOTDAG-UGKGYDQZSA-N 421.538 0.797 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OC)c3)C2)C1 1831396640 OKUUZNHHJNDVLX-HRAATJIYSA-N 417.462 0.199 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1831482611 HVZKARHBFDIVGH-SQGPQFPESA-N 413.584 0.882 30 20 HCED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831622782 GPJITSLMIZFXNC-UZLBHIALSA-N 410.515 0.007 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831872926 XJEKTGSMWBBSDF-UWJYYQICSA-N 420.510 0.372 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1832447949 JQYINXXDDQENIE-QFBILLFUSA-N 413.540 0.277 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833446774 OPSOHNZPQNJELH-QRWLVFNGSA-N 406.483 0.711 30 20 HCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833451434 XORYBBPFYBSPRO-UHFFFAOYSA-N 412.556 0.542 30 20 HCED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834935585 PBWWCYLCQLOONM-JOCHJYFZSA-N 414.506 0.509 30 20 HCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)no1 1835355128 VGWHERRQCDBQEL-IBGZPJMESA-N 405.455 0.496 30 20 HCED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835663713 CKLLHNCDRGVVQZ-QFIPXVFZSA-N 421.538 0.141 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682195 BOIPYAOLFNKIBI-UWJYYQICSA-N 406.527 0.937 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682822 WJVWCKKHLVNUOO-LAUBAEHRSA-N 423.558 0.065 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835887091 IRBPWCVYDWJBGO-PXNSSMCTSA-N 412.531 0.632 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055911 ZSRQGHQOBPCSRJ-OXJNMPFZSA-N 406.483 0.010 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4nnc(C)s4)CCO3)C2)C1 1836075672 ZGVWSZTYSSBAMZ-LJQANCHMSA-N 406.508 0.812 30 20 HCED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1836560103 XYJTXNHUZNVSQM-NSHDSACASA-N 409.512 0.391 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)cn3)C2)C1 1837395125 PXFFLXACZUSQDC-OXJNMPFZSA-N 406.483 0.063 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1837397130 MWLBLWDPJVEQFT-UTKZUKDTSA-N 420.510 0.221 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795398 YDYVFMJEFVUHFW-KRWDZBQOSA-N 410.471 0.353 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837964470 FTFKQYOBVBQNKR-OAQYLSRUSA-N 422.478 0.825 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838095118 MPSCRYPSZPGFJO-OXJNMPFZSA-N 419.482 0.656 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2)C(F)(F)F 1839067713 KPSIBKBXHIMCRZ-QAPCUYQASA-N 419.444 0.903 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839097210 CZIYLUKOZCVHEI-FVJLSDCUSA-N 408.470 0.499 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1839172540 VHACSHQEGIWYAB-UWJYYQICSA-N 424.494 0.521 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770058 BJGJRBHCSXKVME-SMYYLAQVSA-N 413.446 0.330 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840161787 ASODTKPISADIIS-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1840167887 UFOXZGVYEPXBBF-OAQYLSRUSA-N 418.494 0.403 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1 1840400646 BDDJKBYICOWEKR-OXQOHEQNSA-N 403.483 0.759 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840494679 NCOHQQCQOGAGPC-AZUAARDMSA-N 423.535 0.741 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccoc3)CCO2)C1 1840513025 HIJSGGUUTGYOQY-UWJYYQICSA-N 404.463 0.707 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1842919193 DMOWKAQTWBSTMQ-UHFFFAOYSA-N 422.379 0.827 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c1 1843009327 KDCARHSAGSNFJY-UHFFFAOYSA-N 417.429 0.729 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2ccnn2)C1 1843101069 IPVLJVVXPDKXDK-OAHLLOKOSA-N 418.498 0.951 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1847511963 INZXTWVFZIJLJJ-UGUYLWEFSA-N 411.499 0.665 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1ccccn1 1847811222 JSIOYJQOULUVEV-LAQRGFTBSA-N 400.479 0.993 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1847828205 BLDHOVGJHATIOK-YDHLFZDLSA-N 412.537 0.608 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)c1 1848130510 NQJRKBOCYUKTQH-ZCPGHIKRSA-N 409.446 0.727 30 20 HCED CC(C)OC/C(N)=N/OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 149049238 QOHKPJQLISVBJL-UHFFFAOYSA-N 414.484 0.360 30 20 HCED CN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)CC(C)(C)C#N 433317833 DXKZRIFLLDDEKY-UHFFFAOYSA-N 408.524 0.805 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434798262 YSZUDIZPNKXRAH-UHFFFAOYSA-N 409.512 0.984 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(CC(=O)NC2CCCC2)c1 435350856 QIZXONGXRFZPAL-OAHLLOKOSA-N 422.493 0.954 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 435656476 RXMBSABFBLRJDV-CQSZACIVSA-N 417.441 0.027 30 20 HCED N#CCC[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccccc1 439421823 LXNWJHNPQHAPID-SFHVURJKSA-N 424.461 0.842 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(F)c1 446527814 RQRKZGKTJPWLMV-UONOGXRCSA-N 409.439 0.831 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)cn1 460689101 OPBJPIXJJDMIDD-UHFFFAOYSA-N 405.422 0.160 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 463121927 ZDZGYWWBIRPUKG-FQEVSTJZSA-N 420.469 0.874 30 20 HCED C[C@@H](CO)N1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 469852408 OSBTWOMACOPFDE-ROUUACIJSA-N 405.568 0.845 30 20 HCED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)CC2)c1C#N 472164140 SJYDNHHKDAIYRF-QGZVFWFLSA-N 423.525 0.250 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)ncn4C)CC2)c1C#N 472888558 PDNAEAAZQPXGGS-UHFFFAOYSA-N 406.450 0.774 30 20 HCED CNC(=O)[C@H](NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)c1ccccc1 475860148 SGWTWSGLAPGEHX-GOSISDBHSA-N 400.460 0.928 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(-c2ccncc2)no1 480122626 UDFDXJDKDUGSIP-LBPRGKRZSA-N 412.431 0.986 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 481236829 XDRADJDYHOOWOI-RDTXWAMCSA-N 412.471 0.925 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482185741 SQGLKCSQFSMXHR-IUODEOHRSA-N 402.480 0.504 30 20 HCED CCNC(=O)C1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CCC1 488601895 PPLPOGXUINFFEJ-UHFFFAOYSA-N 402.451 0.945 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)C2)nc1 489131736 DFZAUVALBJAPOM-IAGOWNOFSA-N 400.483 0.703 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](c4nnc5n4CCC5)C3)CC2)o1 505868302 MCTHECXYINTGRB-INIZCTEOSA-N 424.509 0.921 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCS(=O)(=O)NC3CC3)C2=O)cc1 507967211 XTVKLIRCGRUGPU-INIZCTEOSA-N 405.480 0.435 30 20 HCED C=C(C)Cn1c(SCC(=O)NCCN2CCNC(=O)C2)nnc1-c1ccco1 512472166 RXONNMZMZINWQL-UHFFFAOYSA-N 404.496 0.754 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1 514908042 YTEKYVBDOIDWDB-MRXNPFEDSA-N 414.466 0.949 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccncc2)c1=O 522283688 FYXLGBVIOHSDHV-UHFFFAOYSA-N 400.504 0.617 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 525391864 DUWVEXOURJLLKA-LSDHHAIUSA-N 413.521 0.883 30 20 HCED Cc1nc(NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)sc1SCC#N 531295936 OJZXRNYNEQXLSO-UHFFFAOYSA-N 419.554 0.840 30 20 HCED CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCOC[C@@H]3C#N)ccc21 534275887 KNPIXOYQPMLMHH-ZDUSSCGKSA-N 400.439 0.707 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCn2cnc(C(=O)OCC)c2)c1 535846345 ALYXZCJVQFLOBU-UHFFFAOYSA-N 406.464 0.954 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCN1S(C)(=O)=O 538486625 RPLHYRJIJAVZKN-JTQLQIEISA-N 416.406 0.590 30 20 HCED C=CC[C@H](CO)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 539323088 KMUXLHMDNSGEPA-INIZCTEOSA-N 409.508 0.454 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)Cc1ccc(O)cc1 542289730 POJCIUNGZFUXHQ-HNNXBMFYSA-N 413.434 0.897 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ncc(F)cn2)CC1 546189989 ULSJNPBGRMPYMQ-CYBMUJFWSA-N 418.454 0.503 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@@H]1c1cnn(C)c1 548769607 VOCHMIYQFFHWTQ-RBUKOAKNSA-N 408.462 0.797 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 554661523 CTTJNUDEOKYBRG-UHFFFAOYSA-N 411.512 0.807 30 20 HCED CC#CCN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 557056444 XFELNLRMBBVTTL-UHFFFAOYSA-N 409.508 0.492 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(S(C)(=O)=O)CCCC1 561961216 XHJNIAYAVBGTSL-CQSZACIVSA-N 406.512 0.926 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1 608229359 FMTIBDVQZONSOK-CXAGYDPISA-N 417.491 0.808 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609093799 ASNZPFGUJAWTEZ-AEFFLSMTSA-N 418.519 0.679 30 20 HCED N#CCCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 611174359 CRRYMJUIBSXAQN-UHFFFAOYSA-N 421.523 0.177 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)N2CCN(c3ccccc3)CC2)C1=O 623209523 JDZIUHYWTBHSLM-MRXNPFEDSA-N 413.478 0.290 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1 728573879 ZEAIJAPBZRCKNV-UHFFFAOYSA-N 419.913 0.070 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1 729226202 ZIVYVDBYSXPTIV-LBPRGKRZSA-N 410.452 0.227 30 20 HCED CCC(CC)[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1CCOCC1 732444222 JGGXAYOKKHHSHT-OZNQOIHVSA-N 407.515 0.949 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 733149959 ZYLAPYIAWHDOAQ-UHFFFAOYSA-N 411.437 0.269 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)COc1cccc(C#N)c1 733980389 QOSBDMYFRFXRSF-UHFFFAOYSA-N 403.460 0.866 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)c1 734228601 HZJXBZYLETWHMB-UFPHYQGISA-N 408.480 0.325 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)ccc2F)c1=O 735068608 FGBDTIZXEOVGSL-UHFFFAOYSA-N 401.463 0.785 30 20 HCED C#CCN(CC#CC)CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 744410272 YOTHTVRVTRLZKT-UHFFFAOYSA-N 407.474 0.891 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCCS(N)(=O)=O 744593173 HQDSWFVVJSJYAE-SFHVURJKSA-N 407.448 0.373 30 20 HCED CC(C)(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)NS(C)(=O)=O 758483986 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20 HCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)S)CC2 1819472542 HPVLVKAFHZKPIX-UVPNAGLESA-N 402.498 0.438 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827185296 ICUOHPTZBKWTQP-MJRGOJFPSA-N 414.510 0.756 30 20 HCED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC3)CCC1 1828009495 XTZDZUUAWKFANJ-QWRGUYRKSA-N 404.496 0.342 30 20 HCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830060701 ZXDXGGLDZQQSCK-OAQYLSRUSA-N 415.494 0.767 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)C1 1831391177 JKGLIVGWXGPJHQ-HTAPYJJXSA-N 418.465 0.863 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1831432254 JKOILRRUFRCVLB-QRWLVFNGSA-N 405.451 0.448 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3csc(C)n3)CCO2)C1 1832964019 SUPGDWPQUBPCHH-FOIQADDNSA-N 421.519 0.489 30 20 HCED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833292391 CMFYTCXDRFHLFF-UHFFFAOYSA-N 405.543 0.995 30 20 HCED 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Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)nn1C 1838950113 CPEIAIGXMGTEAR-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1839173546 XSZSRNCRCWNTFC-CBNMVNINSA-N 424.469 0.844 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235479 XENRTZNMYKENNX-FQEVSTJZSA-N 403.483 0.503 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1)C(F)(F)F 1839894804 SAVKMOIYCLLZKT-KRWDZBQOSA-N 416.400 0.917 30 20 HCED Cc1ccc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040752 WNOCNKPYCBYXHG-HXUWFJFHSA-N 404.394 0.292 30 20 HCED COc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840159059 WLEINLJSNWIWPO-YWZLYKJASA-N 423.535 0.798 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3noc4c3CCCC4)C2)C1 1840159665 JWGKBFSFZIJTSF-DJJJIMSYSA-N 409.508 0.942 30 20 HCED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840814328 BRNHPGXIWJDVEJ-OAQYLSRUSA-N 414.462 0.854 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1842920286 XNZCQMDGJSDNAR-UHFFFAOYSA-N 423.477 0.188 30 20 HCED COC(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c([N+](=O)[O-])c1 1846196451 AMDHRQODIJAXCA-UHFFFAOYSA-N 415.358 0.286 30 20 HCED C#CCCN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 65945113 JXDXDZWVJNGCTA-UHFFFAOYSA-N 421.523 0.676 30 20 HCED C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCc1ccco1 109352934 MAULJAHLMGLLOV-CYBMUJFWSA-N 404.448 0.906 30 20 HCED C[C@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 143189082 NYNAVJMQBCTCNP-CYBMUJFWSA-N 400.451 0.889 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 409567092 IYEQQPXUTRTDLQ-AWEZNQCLSA-N 418.541 0.694 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 410141194 FJSUELXBNAGHEP-SFHVURJKSA-N 405.524 0.890 30 20 HCED C[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 433034242 HRVXIKJZWCZINO-RHSMWYFYSA-N 404.492 0.878 30 20 HCED C=CCNc1ncc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 433235445 VEKMWPFNHIMFRO-UHFFFAOYSA-N 411.465 1.358 30 20 HCED COCCO[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 445199348 XYBIAOVZSRVBOL-CYBMUJFWSA-N 401.398 1.085 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446520695 DNVKCBYBCUJGTC-UHFFFAOYSA-N 408.480 0.103 30 20 HCED CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446526225 HDTCNJIQUNQPKD-UHFFFAOYSA-N 415.494 0.838 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc2c(c1)OCO2 460593300 YHSAJMOXRFGWLK-UHFFFAOYSA-N 404.386 1.431 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 462100622 GKFFDCKUCZJOHB-UHFFFAOYSA-N 405.484 1.241 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 464861506 CCCJGVFFLGJNEA-CYBMUJFWSA-N 415.479 0.145 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2CC)CC1 480099984 UKJLUYZHOLWBNO-UHFFFAOYSA-N 402.545 0.658 30 20 HCED Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccon2)c1=O 480953423 KRMWYJGCFBJINV-UHFFFAOYSA-N 410.455 0.973 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 487498111 DUFOTVCWPNGLQZ-UHFFFAOYSA-N 418.519 0.240 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 497772653 LDIWBNPUSIATCH-UHFFFAOYSA-N 421.504 0.372 30 20 HCED CS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 502970004 NTXMMPKKLVROMF-ROUUACIJSA-N 408.499 0.653 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1=O 505281735 RJXFRWFTCGTLMC-KRWDZBQOSA-N 407.430 0.990 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n1 508428046 UCHJNHCCEPQWEZ-CYBMUJFWSA-N 422.511 0.521 30 20 HCED COc1ccc(NC(=O)c2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2)cn1 508972596 YTHQCPVQPFTZCY-UHFFFAOYSA-N 410.390 0.037 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 509717593 VPQLASHILDYBKO-UHFFFAOYSA-N 421.929 0.945 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)o[nH]1 512766453 GUMSRHPWSDSSQM-UHFFFAOYSA-N 407.427 0.902 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)CC1 521638057 XMPUVPASJIUYHW-LJQANCHMSA-N 404.536 0.711 30 20 HCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2NC1=O 527089879 DMYRPYWXBJYABE-JTQLQIEISA-N 411.422 0.613 30 20 HCED Cc1cc(C)nc(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 542122664 FGZGNOKXFZTWBP-UHFFFAOYSA-N 424.509 0.732 30 20 HCED N#CC1(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 555688995 AZXPBUHGYIBTEV-UHFFFAOYSA-N 410.427 0.205 30 20 HCED CN(C)C(=O)NCCNc1cc(NCCNC(=O)N(C)C)c([N+](=O)[O-])cc1C#N 555925150 IJPLBILBPUZBSN-UHFFFAOYSA-N 406.447 0.833 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCCN3CCCC3=O)CC2)cc1 557045464 DEDXQSPGEFZYEX-UHFFFAOYSA-N 411.506 0.721 30 20 HCED C[C@@H]([C@@H](C)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 563699423 WNQSLGMAGQCPHU-MSOLQXFVSA-N 413.522 0.428 30 20 HCED COC(=O)CC1(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCOCC1 565412771 MGEZSUJMTMSFRP-UHFFFAOYSA-N 423.491 0.655 30 20 HCED C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 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417.466 0.382 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CN(C)CCO1 588866402 RNFWUOOHFBMESK-WBAXXEDZSA-N 413.478 0.005 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)N(C)CCOCc2ccc(C#N)cc2)CC1 588879346 XJCZFCJRNHFKDT-UHFFFAOYSA-N 415.494 0.797 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(CC#N)CC2)cc1OC 609332322 FDEPUEBRLPAZGB-UHFFFAOYSA-N 410.496 0.476 30 20 HCED CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CCN(S(C)(=O)=O)CC1 610732278 SUXPGVAACDUXJG-UHFFFAOYSA-N 420.539 0.987 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(C(C)=O)CC2)cc1 616952755 DQQCUNQSTPFFBK-UHFFFAOYSA-N 422.507 0.512 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 726042908 OKRCIWSAKHCYJQ-SNVBAGLBSA-N 404.335 0.442 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 728570404 CDQKRAGXBXEREZ-INIZCTEOSA-N 400.479 0.542 30 20 HCED Cc1ccccc1[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(N)=O 732907624 BNDOSOLVPHMCFL-HUUCEWRRSA-N 406.464 0.060 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 733149352 GOYBHJCGDJXXEG-UHFFFAOYSA-N 410.434 0.678 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)C1=O 740150687 ZXCCYTNHZQRXHM-GFCCVEGCSA-N 423.809 0.238 30 20 HCED C#CCSCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 740520268 XSSXKFSTBOWNBA-KRWDZBQOSA-N 417.487 0.122 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1cc(C(=O)OC)ccc1Br 741254018 RFBURTGQEXLZQA-UHFFFAOYSA-N 405.226 0.923 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 741410641 JAKMFZBGVRPQQR-IGCQWYOMSA-N 413.478 0.449 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 747278740 PYJUJLPLBRRFJV-UHFFFAOYSA-N 414.871 0.694 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1C1CC1 753356339 BJVYAAZDZSQARZ-UHFFFAOYSA-N 414.487 0.779 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)[C@H](C#N)C1 754378498 GVJYRTQAKRYQRZ-DFMBRWPFSA-N 418.450 0.120 30 20 HCED 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CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCNC(=O)N(C)C 777445951 ZNAJEDCCAJGPCQ-AWEZNQCLSA-N 409.512 0.671 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCNc2ncccc2C#N)[C@H](C)O)cc1 779500145 PNCQUTGGRHISBZ-WMLDXEAASA-N 417.491 0.518 30 20 HCED C[C@]1(c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)NC(=O)NC1=O 791187758 CEIVUSAZUHWNKD-OAQYLSRUSA-N 404.430 0.970 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 796569497 CTLAGZFRXYBCIK-KRWDZBQOSA-N 424.519 0.935 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(Cl)cc(S(N)(=O)=O)c2)C1=O 798609661 NQNLDBGFFWEWBY-UHFFFAOYSA-N 415.811 0.007 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)C1=O 799267676 SLAGHYNEFWEKML-AWEZNQCLSA-N 404.398 0.966 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O 800789066 LPDYEVWKNBUACZ-UHFFFAOYSA-N 401.347 0.598 30 20 HCED C[C@@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)Nc1cccc(C#N)c1 913374141 OYDFPOZTFLSIIW-LLVKDONJSA-N 407.386 0.688 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NC[C@H]2CCCO2)ccc1F 914659103 GWZCVWDIEQECFI-CYBMUJFWSA-N 400.428 0.742 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc1ccc(Cl)cc1)c(=O)n2C 916884823 HSWIQCAQIAELBR-GFCCVEGCSA-N 414.809 0.435 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 916891799 FOHYFZIUXXLTMU-LQZXRHCMSA-N 406.483 0.985 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C 917779922 PPTCVDCDMXUENK-UHFFFAOYSA-N 403.467 0.709 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCCOc2ccccc2)c1 917941785 WUBMQILDUCPKMP-UHFFFAOYSA-N 417.443 0.575 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C(C)(C)C#N)CC2)c1 919350335 RFBLLILZZMQQAD-UHFFFAOYSA-N 421.475 0.815 30 20 HCED N#CCC1(O)CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1116883796 UJJIVVPBGQNFSU-CYBMUJFWSA-N 405.432 0.111 30 20 HCED CCN(CCC#N)C(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1150011985 DJIOAIMZWSPSBS-SGTQZHETSA-N 404.511 0.379 30 20 HCED 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C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722544870 YXRPYVWMBXKKRJ-LBPRGKRZSA-N 402.846 0.892 30 20 HCED CN(C)c1cccnc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1729331570 YGJZLSZWIZZYAZ-HNNXBMFYSA-N 410.482 0.752 30 20 HCED Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(=O)(=O)N(C)C)n1 1742325158 RIFZWKFXFPRTIX-QGZVFWFLSA-N 407.475 0.982 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1761364914 YDYYRRPXNGBNQD-HOTGVXAUSA-N 410.544 0.641 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1771112626 UIQWMZIHQWFWNS-INIZCTEOSA-N 419.530 0.706 30 20 HCED Cc1cnc2c(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)cnn2c1 1778527709 UGVCRCOSVJMCGR-NRFANRHFSA-N 419.445 0.995 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1779832340 VLJFKNAFENGITF-UTKZUKDTSA-N 404.511 0.999 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(OC)nn2)C1 1779951041 RKQPTWQBDJTVNY-LUQKVYGDSA-N 416.478 0.651 30 20 HCED 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415.542 0.877 30 20 HCED Cc1nn2cc(CC(=O)N3CCOC[C@@]4(CN(C(=O)CC#N)CCO4)C3)nc2s1 1834755930 NHPOOEOUDBUIGV-GOSISDBHSA-N 418.479 0.012 30 20 HCED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1834986711 RBMRXZARQOUIQS-NRFANRHFSA-N 419.453 0.733 30 20 HCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836137827 MTBKBVUORRNFME-SFHVURJKSA-N 421.567 0.910 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836191537 QHYIIVBGDVQDBG-LAUBAEHRSA-N 418.494 0.881 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)CC1 1836859882 ILIDPYIGKHODDT-XCLNPWKQSA-N 404.507 0.916 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837790567 VUFJCIKTSJTSIF-INIZCTEOSA-N 405.499 0.736 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838662940 OYOUPKSNWXZLFB-DNVCBOLYSA-N 407.471 0.589 30 20 HCED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906057 NSDFBBOEDCQAKM-HXUWFJFHSA-N 410.434 0.369 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCO2 1839212205 SOXYSJBPTTYAIG-HRAATJIYSA-N 423.510 0.769 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839641523 LCYWKFATAOHNSC-BWABGXRHSA-N 420.510 0.495 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Br)cnc3C)C2)C1 1839807416 YUHOBHDCRCCDEM-GOSISDBHSA-N 422.279 0.856 30 20 HCED C/C(=C\c1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044390 VJMJBHIOLCHSSH-RBNQXFGJSA-N 413.430 0.029 30 20 HCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)OCC 1840282575 YBCLCVITKVPGCO-KDOFPFPSSA-N 404.529 0.550 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)CCC1 1840327124 SANHWOCQNKDCSF-HXUWFJFHSA-N 401.467 0.493 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840564026 BJAZFQIKGVAZSY-HKUYNNGSSA-N 401.573 0.737 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n[nH]1 1840814691 VLYULIZXLVNNQP-FQEVSTJZSA-N 401.467 0.411 30 20 HCED 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N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C(F)(F)F 435173323 KKYSTXGNNAALII-UHFFFAOYSA-N 402.354 0.940 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 437025026 RBEIXGJGGFTUPI-HNAYVOBHSA-N 417.462 0.554 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 439324539 OKAWCDNFTBHGKD-KGLIPLIRSA-N 406.487 0.366 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)C1=O 440259319 SVMMTSJJXXJNQE-MRXNPFEDSA-N 422.507 0.940 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NC[C@@H]1CCS(=O)(=O)C1 443067662 FRLGWKNRMQYDMA-QWRGUYRKSA-N 419.912 0.429 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 446535386 LPDPJXYNVYLSIH-INIZCTEOSA-N 423.491 0.203 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 460610933 SYMMIEWCCJAMEW-UHFFFAOYSA-N 423.477 1.103 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 463194257 QMVBTOGGCPKZLC-QAPCUYQASA-N 416.507 0.496 30 20 HCED C[C@]1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO[C@H]1C1CC1 467943248 NSPXTQUBLMDCGX-LAUBAEHRSA-N 408.462 1.458 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)n1 469802577 WHJBXJSAUABZOT-UHFFFAOYSA-N 405.393 1.467 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)CC2)c1C#N 472266297 RPRLCHJNDISTDM-IBGZPJMESA-N 422.489 0.676 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479309339 IJXVCPVMFJBYGL-ZBFHGGJFSA-N 409.464 0.671 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1=O 485256105 SHVVVOGLUUPSJB-SFHVURJKSA-N 406.446 0.311 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(C#N)cc2)C1 488107829 NKDYTRKAXZIJLO-HKUYNNGSSA-N 411.524 0.670 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 490042810 OXQIADILQLWNDQ-CQSZACIVSA-N 422.488 0.703 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(c3cc(C#N)ccn3)CC2)cc1 497615247 JWGPVBYIWFFEFM-UHFFFAOYSA-N 424.490 0.655 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)cnn2C)c1=O 505666850 ZPXJAATYPFYFFY-UHFFFAOYSA-N 415.544 0.216 30 20 HCED C=CCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508506561 FSBPBOSYELAYCX-QGZVFWFLSA-N 413.526 0.839 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 511778399 SQOGVXCDEMVKQH-CYBMUJFWSA-N 408.455 0.956 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 531953261 GDKVSWILZQOIHZ-HIFRSBDPSA-N 405.480 0.241 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 537067200 CGVMEPFPSCFNHL-OAHLLOKOSA-N 418.494 0.322 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)n1 538077062 OBRWCZAYEAVYLC-UHFFFAOYSA-N 423.477 0.896 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 538096450 LSJQKGGHAPLTKS-UHFFFAOYSA-N 401.452 0.678 30 20 HCED C=CCNC(=O)CNC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 538624462 QZIYUQXUWCQFRO-UHFFFAOYSA-N 402.455 0.375 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cc(COC(C)(C)C)on1 554666206 VTSHALMZFJHFPK-UHFFFAOYSA-N 417.470 0.874 30 20 HCED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 554694024 AYELIMSEXLITKO-ZMYBRWDISA-N 409.490 0.374 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)c(F)c1 567970539 HQNHGFWACRAIDG-UHFFFAOYSA-N 403.439 0.719 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 573590138 CSQJNDOZLSHLHU-UHFFFAOYSA-N 405.484 0.583 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 577694098 DHWUYPBPTNKMKQ-UHFFFAOYSA-N 409.450 0.785 30 20 HCED CCN1CCC(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 585775152 NJEWMZJZXOEYIH-UHFFFAOYSA-N 414.510 0.920 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(=O)N4CCCC4)C3)CC2)o1 588212871 BWVRZCOLAPVONQ-MRXNPFEDSA-N 400.483 0.448 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ncccc3F)n2)cc1 589466585 VWMYJYIFLWYWFU-UHFFFAOYSA-N 400.395 1.195 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(F)c2)c1=O 590910025 IBVHSPQZQMGAOM-UHFFFAOYSA-N 419.478 0.733 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2nc3ccccn3c2=O)CC1 603575191 AWZVGPZMJOEXFL-UHFFFAOYSA-N 419.401 0.964 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(CC(N)=O)c3)C2)c(F)c1 609472936 SMZASUHPPWDQHC-CYBMUJFWSA-N 413.413 0.103 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609547569 AJABAMUNXZFCKN-UHFFFAOYSA-N 402.455 0.105 30 20 HCED CC(=O)NCCc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 609597792 ZTQQVGMVWDZEDC-UHFFFAOYSA-N 408.524 0.602 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CN(C)CCO1 611610992 WQUNABFJLGUACM-WBMJQRKESA-N 400.414 0.657 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 615050221 PSEUBIIJKNAZDK-UHFFFAOYSA-N 401.423 0.030 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)C1=O 623228811 FRLDZTPEIVTQCP-HNNXBMFYSA-N 414.462 0.500 30 20 HCED C=C(C)Cn1c(COC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 642727401 XFNXFCMUPNHAHR-UHFFFAOYSA-N 409.516 0.553 30 20 HCED COCCc1noc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 728986832 LXLGLCFRGWXZPE-UHFFFAOYSA-N 408.436 0.821 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCOCC)cc2)CC1 735923729 WSLFYGWWJCTIQM-UHFFFAOYSA-N 423.535 0.548 30 20 HCED C[C@H](CC(=O)NCCCNc1ncccn1)/N=C1/NS(=O)(=O)c2ccccc21 742594798 DNLGJFQFQNKPIN-CYBMUJFWSA-N 402.480 0.912 30 20 HCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744022934 BMVIOTPMYHIOSQ-BYHHXJKWSA-N 405.451 0.179 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 749379004 IWIQPVMMUWDDNZ-GOSISDBHSA-N 416.457 0.320 30 20 HCED CCN(C(=O)CON=C(N)c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 754295000 VGPHSHIXOUTXRY-SECBINFHSA-N 408.274 0.715 30 20 HCED Cn1cc(C(N)=O)cc1C(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 756239713 CTYCZYWUQSVPTN-MRXNPFEDSA-N 424.417 0.703 30 20 HCED O=C(O)Cn1cc(/C=C\C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 759069778 CDIILXQPOFALEC-UTCJRWHESA-N 406.420 0.280 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 760009499 YHRGUOKYDBMEGQ-VXMMXDIUSA-N 423.495 0.654 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 761033346 VEJHPHZPXSQXFF-MRXNPFEDSA-N 405.442 0.694 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(C)cc1 763437054 POPHIRIVHZKBAV-UHFFFAOYSA-N 422.510 0.812 30 20 HCED N#C[C@@H](C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccccn1 766275048 DFNSTOHNIBKNKJ-HNNXBMFYSA-N 407.434 0.648 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C1(C(=O)OC)CC1 766854059 UOFOIMAMPUIHSL-UHFFFAOYSA-N 413.386 0.863 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(CCC#N)CCC#N 767627674 AWNQJYBFKZTUQX-CQSZACIVSA-N 417.447 0.424 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2cn(CC(=O)OC)nn2)c1 770700341 JPZHEDICFRTCDN-LBPRGKRZSA-N 406.420 0.281 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 771756873 CBWCJBFPFJGOJK-UHFFFAOYSA-N 412.443 0.488 30 20 HCED C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@@H]1CCCO1 773299943 WGCMMEHADCTAIT-ROUUACIJSA-N 420.535 0.603 30 20 HCED CC1(C)CN(C(=O)C2CC2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 776365225 PYPABYBGEVUYTR-UHFFFAOYSA-N 404.492 0.585 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 780826841 COLYJENHHSUKQK-NXDJFEHLSA-N 422.445 0.879 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 782129282 JJYCITXDGWZGJI-UHFFFAOYSA-N 413.459 0.993 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 783482252 WUJJXQXGTFAVAY-INIZCTEOSA-N 423.466 0.250 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1)C1CC1 785317038 ZROMDRUZJHGFIG-UHFFFAOYSA-N 414.505 0.620 30 20 HCED Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787776314 DXPALEFWUNSEDZ-HOTGVXAUSA-N 411.466 0.187 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2c[nH]nc2-c2ccccn2)n1 789788795 WBFIMDDNZIFMIO-UHFFFAOYSA-N 407.434 0.915 30 20 HCED COc1cccc(/C=C(\C(=O)NS(=O)(=O)CC2(C#N)CC2)n2nnnc2C)c1 793204194 FJXHPJPCVYNZGR-OQLLNIDSSA-N 402.436 0.738 30 20 HCED C#CCC[C@H](O)CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 798356253 SAACXQRHHYHZPV-SFHVURJKSA-N 409.508 0.422 30 20 HCED CN(C)c1ncnc(Cl)c1COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 801199660 RMICATIYEWJCCS-UHFFFAOYSA-N 409.855 0.978 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)[C@@H]1CCCO1 803216844 TXKLGQWNVAXWGL-ICSRJNTNSA-N 415.490 0.311 30 20 HCED Cc1c(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)nnn1-c1ccn(C)n1 815940622 ACVUMCKBGGEWHL-UHFFFAOYSA-N 405.827 0.953 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc(CN2CCOCC2)cs1 828564406 PVQJJWDQJGQTAC-UHFFFAOYSA-N 421.504 0.653 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCN(C(C)=O)CC2)cc1 899131915 UFVUFUAYTQUMBE-UHFFFAOYSA-N 423.491 0.435 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 965389219 UCILIRIPNVZTPL-IZGRHMBUSA-N 402.491 0.831 30 20 HCED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1Br 1192387091 PQLBWMRQCKMQIN-MFKMUULPSA-N 418.269 0.722 30 20 HCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCOC2)C1 1302481334 ZCDNMDWJJLNKRP-HZPDHXFCSA-N 424.527 0.387 30 20 HCED CCNS(=O)(=O)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1309157417 PLOCITKVDSOPFE-UHFFFAOYSA-N 414.278 0.677 30 20 HCED CN1CC[C@](O)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1314929174 VWKPPMPLHUCZMH-GHTZIAJQSA-N 412.494 0.695 30 20 HCED CN1CCN(C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1318594179 VVLYKCHRNPNWNM-UHFFFAOYSA-N 407.540 0.634 30 20 HCED CS(=O)(=O)C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1324291466 PUYZKCGSVDXLEY-AWEZNQCLSA-N 413.521 0.775 30 20 HCED Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncc1C(N)=O 1441015545 YPRSIMLXQYVXOY-UHFFFAOYSA-N 413.459 0.507 30 20 HCED Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 1612470402 SCXUAULJIDJYCP-SUMWQHHRSA-N 407.475 0.712 30 20 HCED Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1612612497 YIVSYZCWEOJASL-PKOBYXMFSA-N 417.491 0.586 30 20 HCED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1619355059 YZXZGNOEIYAJPG-KRWDZBQOSA-N 412.450 0.541 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1698491387 ZWEBGPINJYXTAE-CABCVRRESA-N 422.511 0.068 30 20 HCED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1749885583 WAHCWBDVISJRFT-HNNXBMFYSA-N 404.519 0.319 30 20 HCED CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1766866263 YDCQXGLGHQDNCS-AWEZNQCLSA-N 408.528 0.789 30 20 HCED CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1770361229 ZLOGFJSHZVFTBC-KRWDZBQOSA-N 403.443 0.808 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c3ncccc23)C1 1778520349 UOBZAMYAMGZILE-IIBYNOLFSA-N 410.430 0.778 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccccc3n(C)c2=O)C1 1778625944 WTODRZUDXAHGAD-VGOFRKELSA-N 408.458 0.694 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OCC)nn3)CCO2)C1 1778978107 CUCFVPPMQFOVOQ-HRAATJIYSA-N 418.494 0.892 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1779019191 DQHUGZZLQDQDNW-BOURKTIISA-N 401.467 0.702 30 20 HCED CC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779417711 JGZPZXSVBHQQNH-OHENCWIKSA-N 411.499 0.800 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1779610827 LXRKFGRSWKUQSK-HXUWFJFHSA-N 409.402 0.003 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779920217 WFGJWJVZPXHDCY-NRFANRHFSA-N 423.429 0.576 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1782010115 DLDRECXWKTXYBY-DNLPARGRSA-N 421.450 0.117 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc(Cl)cn1)C2 1782010270 GWUGPPPJEWJNJF-RDTXWAMCSA-N 408.842 0.138 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782673243 QNSYGZJZHVRXBZ-HTAPYJJXSA-N 412.490 0.833 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1783049442 YOGBTSCGXCSXIZ-HNNXBMFYSA-N 414.199 0.961 30 20 HCED 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N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)n1)C2 1846979630 DQALCDWIXCAJBS-UHFFFAOYSA-N 409.402 0.655 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 17115475 CSCRYVKOWZCZEQ-UHFFFAOYSA-N 404.448 0.498 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2ccc(OC)c(F)c2)c1=O 60892074 PSDWJIDHAKDJIT-UHFFFAOYSA-N 418.425 0.350 30 20 HCED COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 63765582 XVYSTTBZNLAVJW-UHFFFAOYSA-N 414.443 0.925 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCNc3ncccc3C#N)C2=O)cc1 108135356 RPBTVDZCRKEATG-OAQYLSRUSA-N 422.445 0.957 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1 409592891 WVKOQXCHZQMXJD-UHFFFAOYSA-N 409.556 0.501 30 20 HCED N#CCC1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 430396918 VLKWRMJHGPOHKO-UHFFFAOYSA-N 406.464 0.456 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cccc(C#N)c3C)CC2)no1 431968090 YBBPRPXBWBFRSE-UHFFFAOYSA-N 410.434 0.885 30 20 HCED N#CCCn1cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2ccncc2)n1 433299339 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0.004 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CCn3nc4ccccn4c3=O)C2=O)cc1 489252955 OIUKYIUINMACLB-QGZVFWFLSA-N 404.430 0.675 30 20 HCED CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H](C)CS(C)(=O)=O 494045750 AJGZDXNASNACLU-CYBMUJFWSA-N 401.510 0.774 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)CC1 494678046 AXQCFVWDVPBHQP-GDBMZVCRSA-N 415.502 0.834 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 499678330 QTGOBIZQGJOOLA-LLVKDONJSA-N 410.468 0.559 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509400725 MCHDBGSPWATDOA-NSHDSACASA-N 405.502 0.077 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cn1 510683441 KXWSKRPKOOYODQ-OAHLLOKOSA-N 407.434 0.548 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513666546 MTBCJKHOYPEOQS-RTEYEHBSSA-N 416.503 0.366 30 20 HCED N#Cc1cccc(OCCCCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 517670469 WFKMGYWLZMYYHS-RBUKOAKNSA-N 421.519 0.721 30 20 HCED Cc1cnc(CCNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1 519552891 FHRMEYZWVDVAAQ-QGZVFWFLSA-N 406.446 0.627 30 20 HCED COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OCCCC#N 523841181 RTJGIKSTCBBHDJ-QZTJIDSGSA-N 423.535 0.965 30 20 HCED C[C@@H](O)CN1CCC(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 530644631 WOHVHVYMIWDFNF-MRXNPFEDSA-N 422.551 0.730 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 533223417 AUFGVUUYNDXZRG-AWEZNQCLSA-N 421.523 0.745 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@@H]2C(N)=O)CC1 540589905 BUKNDKKUUXJKBE-DLBZAZTESA-N 405.499 0.437 30 20 HCED Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 542072731 OQZBZEUQTFNNDY-CQSZACIVSA-N 413.825 0.919 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)c(F)c1 548449091 OVBLFGFHNOGPDF-UHFFFAOYSA-N 401.485 0.581 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCCSC 553353759 GJRHGOVVKNWLEU-UHFFFAOYSA-N 423.585 0.990 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 558158608 JMEWZLYIMMAGKX-INIZCTEOSA-N 411.462 0.913 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)C1=O 559381657 WDWQCXYIQJNFAX-HOTGVXAUSA-N 420.535 0.483 30 20 HCED Cn1c(NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)c(C#N)c(=O)n(C)c1=O 561318420 HQYOCYCKRUFFJL-OAQYLSRUSA-N 422.445 0.793 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 564250235 BUYWUIWNNLSZRP-HXUWFJFHSA-N 407.478 0.533 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 574730542 XBGRVBGDZLVHOK-QZTJIDSGSA-N 406.508 0.596 30 20 HCED N#Cc1ccccc1CS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cn1 581085285 QJXCROBOJMJEGZ-UHFFFAOYSA-N 407.473 0.948 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 589272575 URIHTVPMPCVHLD-SFHVURJKSA-N 417.466 0.908 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccccc1 603791293 WHIJRXVWGBRYLJ-UHFFFAOYSA-N 409.467 0.817 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609880921 NBQRWHDBUDTNPX-QUCCMNQESA-N 411.506 0.576 30 20 HCED Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC#N)CC2)cc1C 611645218 ZJSPQVYREZCXMD-AEFFLSMTSA-N 406.508 0.095 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)NCc2ccccc2F)C(C)C)C1=O 726042389 ILXFCLMBEUZXOY-INIZCTEOSA-N 419.409 0.987 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(OC(F)F)c1 734143245 CCGDFSFOJIYDGS-UHFFFAOYSA-N 406.370 0.032 30 20 HCED C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 736015768 UEFGPHCPBAKBON-ZDUSSCGKSA-N 404.485 0.891 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)C2CC2)cc1 737308277 YVTXUCBHALGELU-NDWLXSOOSA-N 422.507 0.715 30 20 HCED C[C@@H](CC(=O)Nc1cccc(S(N)(=O)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742466498 OQZBDNDKPBNADR-NSHDSACASA-N 422.488 0.790 30 20 HCED CCS(=O)(=O)C[C@H](C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742676312 SHNAXZFOXWGVAF-RYUDHWBXSA-N 401.510 0.443 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1CCC#N 755549870 ICKLOIHXLQSRMB-ZIAGYGMSSA-N 415.454 0.919 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 756752356 GSLLOTYRHPCFDS-ZWNOBZJWSA-N 423.476 0.369 30 20 HCED CNC(=O)Cn1nc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 757821421 AGVMICOTRVROFS-QWHCGFSZSA-N 405.459 0.818 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758049648 JUIDGUUSPUCIFI-UHFFFAOYSA-N 415.478 0.510 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758056681 AEYCAYXXAKUVIU-UHFFFAOYSA-N 407.451 0.119 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758069649 QZMIIHSIHGHRNX-UHFFFAOYSA-N 421.478 0.455 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 761033345 VEJHPHZPXSQXFF-INIZCTEOSA-N 405.442 0.694 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O 761369968 BPQWUSDADGLAQI-OLZOCXBDSA-N 424.454 0.104 30 20 HCED CC(=O)N(CCc1ccccc1)CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 762058688 ARIPBQTUSZQAEY-KRWDZBQOSA-N 405.476 0.043 30 20 HCED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCOC[C@H]2C#N)C1=O 771379163 OEELIOZRBVXXES-DYVFJYSZSA-N 421.251 0.967 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(CC(F)(F)C(F)F)CC1)c1cc[nH]n1 772281844 CUQLTJWZPCSUNE-UHFFFAOYSA-N 423.367 0.738 30 20 HCED CN1C[C@@H](COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 772767229 VVJWKPYEKNVYDA-HNNXBMFYSA-N 405.476 0.980 30 20 HCED C#C[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCO1 773052197 QBPFUNPVTBZINH-JKSUJKDBSA-N 404.485 0.546 30 20 HCED C#C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@@H]1CCCO1 773551152 ZIHMTACIAOBQER-CVEARBPZSA-N 401.492 0.764 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1 774011762 GMKMPKDTWVBJSW-GOEBONIOSA-N 408.426 0.649 30 20 HCED CCOc1cnc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 778536689 PFRORDVACGHGLQ-UHFFFAOYSA-N 400.395 0.549 30 20 HCED CCCN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 782922552 HKQQPDBWPCNQLB-CAPFRKAQSA-N 410.496 0.669 30 20 HCED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)cc1 787787482 LLKAJBZRVPMOCI-UHFFFAOYSA-N 415.475 0.342 30 20 HCED C#CCC1(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 788510293 APLOBCDZCPOBSM-QGZVFWFLSA-N 409.552 0.408 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn(-c4cccnc4)c3)CC2)o1 792218484 KNCFQPRVWVAERB-UHFFFAOYSA-N 421.417 0.941 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCOC 794582978 WCJCDMHSUDJTQF-UHFFFAOYSA-N 401.492 0.139 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C(C)C 799272888 MJNURFZXJIWHSQ-GOSISDBHSA-N 400.479 0.461 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 807462861 VLDMFSTWUKNCDI-OAHLLOKOSA-N 408.480 0.024 30 20 HCED COc1ccc(OC)c([C@@H](O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 810103133 UCOAFAVDGJWMEF-KRWDZBQOSA-N 419.459 0.704 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 811837416 QTROXTXCUCDRSR-SFHVURJKSA-N 409.464 0.577 30 20 HCED COCCN1C(=O)/C(=C(\Nc2ccc(C#N)cc2)[C@@H](F)C(=O)OC)C(=O)NC1=S 814343581 FGJDFEMAVNXBIX-NXXVSJRMSA-N 420.422 0.625 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914651726 NJUVNHNEAOBAGN-HIFRSBDPSA-N 405.432 0.076 30 20 HCED CC(C)CNC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 918587962 UCUFLDADKLBVMB-UHFFFAOYSA-N 410.452 0.517 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)NC1=O 1005107707 GYBQCJCZEIPTHA-JSEZXORMSA-N 404.467 0.158 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1186576333 BJGSDFMIJWKBGR-AWEZNQCLSA-N 422.482 0.807 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1299309356 ZCCWJVQULSJQCC-OAHLLOKOSA-N 416.511 0.066 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(O)cc1 1303866949 LVSXUMHOSPMZLS-CZUORRHYSA-N 420.495 0.565 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)N[C@@](C)(C#N)C1CC1)c(=O)n2CC(C)C 1317742184 KWRJFFXMXATYHZ-FQEVSTJZSA-N 416.482 0.471 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)CCO1 1505322121 JFKUWIXDIOHYBI-DLBZAZTESA-N 417.491 0.450 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CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cscn1 138710028 CTCYDLIQSNXSBO-UHFFFAOYSA-N 419.532 0.980 30 20 HCED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410134544 AQWJKNOXXRRDMD-YOEHRIQHSA-N 403.468 0.680 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 410157976 BZQFJORUXRQQCZ-GOSISDBHSA-N 409.556 0.894 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 430391690 HEXHTMNFEXRTEI-GOEBONIOSA-N 413.482 0.109 30 20 HCED CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 432943012 FKDVGLWDKWRNIN-UHFFFAOYSA-N 402.270 0.800 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1 438760952 NDULTFBFELTLTE-UHFFFAOYSA-N 421.523 0.859 30 20 HCED O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 441996400 HLONJWPHVQEXBB-GOSISDBHSA-N 416.437 0.194 30 20 HCED CCO[C@@H]1C[C@@](CO)(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1(C)C 444577399 WLOQSVPLFGHXBQ-APWZRJJASA-N 409.508 0.861 30 20 HCED Cc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1S(C)(=O)=O 447329782 BGYOVHWVYBIAKL-UHFFFAOYSA-N 417.491 1.477 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2ccon2)CC1 460617403 ZMXGTZYBKKFTRH-UHFFFAOYSA-N 420.433 0.718 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 462095774 FYTDNLUXSJNYIN-HNNXBMFYSA-N 419.449 1.498 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 465418323 SZQAQKPPHJIYQS-HNNXBMFYSA-N 416.445 1.210 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cc3cccc(NS(C)(=O)=O)c3)CC2)c1C#N 471669874 CEPDLDRMKAVKRF-UHFFFAOYSA-N 416.507 0.863 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CS(C)(=O)=O 482146793 HLJRJZRUBKLRQW-QWHCGFSZSA-N 401.510 0.507 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)s2)c1=O 482551768 IHWNEHQTCNOFHR-LBPRGKRZSA-N 414.512 0.661 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 482753235 ORCIBGGWBGNUFC-QRTARXTBSA-N 409.508 0.869 30 20 HCED Cc1oc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1S(N)(=O)=O 485997164 AEZBLIFEGYNLOX-CQSZACIVSA-N 402.432 0.638 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1 488637495 MCSFJNWGFKFJHJ-MRXNPFEDSA-N 408.480 0.396 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)c1 491133637 JADKSLIDBLTYBI-UHFFFAOYSA-N 418.494 0.487 30 20 HCED C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 494261688 HTEKHMXJHAPOEY-QBPKDAKJSA-N 401.529 0.466 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)nn1CCC#N 504023090 JJVIOPZOBPHMGQ-UHFFFAOYSA-N 409.450 0.491 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)N(C)C)ccn1 506225633 WXEYFFKCARQGSN-LBPRGKRZSA-N 401.448 0.961 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)n1 508363280 NWSSNEPSTHCSFW-UHFFFAOYSA-N 415.841 0.794 30 20 HCED O=C(NCCCn1cc(CO)nn1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 518627196 NILXVHDTKAGKGY-UHFFFAOYSA-N 404.430 0.710 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1CCOCC 532447812 RNNCMOFBBZDKKC-UHFFFAOYSA-N 417.487 0.491 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)n(CCC#N)n1 532995186 GQSBXZXOVVRKRP-UHFFFAOYSA-N 423.477 0.827 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1-c1nc(CCOC)no1 538548805 RNEIDXKUZRQSKW-UHFFFAOYSA-N 421.841 0.936 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 543182275 XGKGZNXCEFYJKX-OKZBNKHCSA-N 418.519 0.094 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546911281 SKJYHLLZLCLSFK-UHFFFAOYSA-N 406.446 0.990 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)C1=O 547401023 SXXDLTFMNXHADP-INIZCTEOSA-N 423.491 0.387 30 20 HCED C[C@H](c1ccccc1)[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(N)=O 551351718 GSKCGVQGWNPTJC-DYVFJYSZSA-N 417.429 0.851 30 20 HCED C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)S(C)(=O)=O 554153932 CNMUPDGWRRIHJF-OCCSQVGLSA-N 410.471 0.332 30 20 HCED C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC(=O)N1C 554158501 KBZHVYMENNYLPT-ZFWWWQNUSA-N 401.442 0.471 30 20 HCED CN(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 554663934 PCCORBHHRKEOFK-UHFFFAOYSA-N 412.425 1.148 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CCN1S(=O)(=O)c1ccc(C#N)o1 561474469 WYDSREQZUILKCD-LLVKDONJSA-N 410.433 0.700 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(n4ccnc4)CC3)C2=O)cc1 561708099 XKXQZUVYDFRQIP-LJQANCHMSA-N 420.473 0.836 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 582427272 GVXQDRYICOKWNO-UHFFFAOYSA-N 416.419 0.471 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 584033139 DYRXDARNUUFWCN-VIFPVBQESA-N 423.903 0.219 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 589478103 XPRSKUCQMYFZCG-GOSISDBHSA-N 421.523 0.616 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)C2)nc1 590273080 KDFUFSDBCBKPIU-MRXNPFEDSA-N 405.414 0.858 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1 603786405 BPOSPBYVNICFLU-UHFFFAOYSA-N 406.467 0.560 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)cc1 608911899 VNDTYQJLMZOGMQ-UHFFFAOYSA-N 410.499 0.265 30 20 HCED N#C[C@@]1(F)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 615535087 LBLDWSQOXPGMNN-KRWDZBQOSA-N 410.475 0.181 30 20 HCED C=CCOc1ccc(C(=O)N2CCOC[C@H]2C(=O)NCC(=O)OCC)cc1OC 619875740 RCQPYACYVUZALU-HNNXBMFYSA-N 406.435 0.780 30 20 HCED Cc1cc([C@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)nc(C)n1 642282534 BUNIAFQTUFKIPQ-HNNXBMFYSA-N 403.464 0.943 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOCCOC)C1=O 726399303 CKPUESKWSRJMIE-CQSZACIVSA-N 408.480 0.516 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)ccc1F 727317148 MAAVUJSFNUQCNN-UHFFFAOYSA-N 409.443 0.827 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCOCC 732563328 UWDIVFXHFFMLSY-UHFFFAOYSA-N 403.508 0.192 30 20 HCED C=C(Br)CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 733892308 FSTHQBZKDBWUAO-JTQLQIEISA-N 402.270 0.712 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(c3cccc(F)c3)C2=O)C1=O 734587651 PYFCBFHEGQBZCE-CQSZACIVSA-N 403.366 0.841 30 20 HCED C[C@H](CC(=O)N[C@H](C)[C@@H](C)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742641890 BPZTZPLIJQFSLL-RBSFLKMASA-N 408.524 0.729 30 20 HCED Cc1c(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 748434171 JDLYJCKKSLJOTK-FKIZINRSSA-N 415.450 0.540 30 20 HCED CN(C)C(=O)c1ccnc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 752630755 AHZCULPCCPNYII-UHFFFAOYSA-N 401.448 0.851 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CC3)c2=O)c[nH]1 753361241 YLUZVMVFMYCJGY-UHFFFAOYSA-N 414.487 0.635 30 20 HCED C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 755361941 PSUKTDHMXHLXHH-MHMQGTJDSA-N 409.439 0.878 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 756919654 HRXMNOHKPWEXFK-QWHCGFSZSA-N 405.455 0.726 30 20 HCED C[C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 758095512 XMJBVQVWAOFJJZ-BXUZGUMPSA-N 417.871 0.283 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)C2CCOCC2)c1 759944029 MFWKPRMCEAGLCQ-KRWDZBQOSA-N 408.476 0.686 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C)cn2)c1=O 761837407 XOKBRTUFUMQSME-UHFFFAOYSA-N 421.482 0.796 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1Cc1ccon1 765145798 OGZPFTVVLCAKAP-UHFFFAOYSA-N 412.475 0.147 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C)[C@@H]1CCCO1 773802097 ZKMVGGVPRJGIIL-HIFRSBDPSA-N 403.435 0.641 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)CC1 777139217 WCAPLYXHTBEUSM-UHFFFAOYSA-N 422.526 0.296 30 20 HCED Cc1nc(Cn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)no1 784085223 TZMDPNHMBIIROQ-GFCCVEGCSA-N 402.415 0.603 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)C(N)=O)cc1 786995131 HWCIGHFOBUPNHG-IEBWSBKVSA-N 414.462 0.341 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@@H](CO)C1 787472415 PBRQXTDCVJQEGB-LZWOXQAQSA-N 409.508 0.748 30 20 HCED COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787759925 QDDURXIWZWEERS-CYBMUJFWSA-N 402.455 0.464 30 20 HCED Cc1ccc(N2CCOCC2)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 797530449 FSZQZDHNZMCZML-UHFFFAOYSA-N 411.466 0.696 30 20 HCED C=CCN1CC[C@@H](OC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)C1=O 798638454 PPLSZXDQJYKVMO-FOIQADDNSA-N 401.419 0.792 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 799270391 INJIRSMSYUUVRH-KGLIPLIRSA-N 409.406 0.343 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCO1 808778451 XRCYHKVZSCKUKN-RTBURBONSA-N 418.925 0.875 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@@H]1CCCO1 809305513 FCNOUWLCZBEIIL-HKUYNNGSSA-N 401.438 0.974 30 20 HCED Cn1c(S)nnc1[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810354965 NMRAMKPGNMAZAS-CYBMUJFWSA-N 420.520 0.660 30 20 HCED C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)S1(=O)=O 812373472 GDQIBZCNBQWHFC-BETUJISGSA-N 413.521 0.539 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCc2c(nnn2CCOC)C1 815814587 NKONFTQPXIXMNW-UHFFFAOYSA-N 401.398 0.599 30 20 HCED 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C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(=O)NC)CC1 1823745751 MRVBDMUITKAEAC-QWPQOLDESA-N 404.511 0.601 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc(Cl)nc4)CCO3)C2)CCC1 1829523621 GWJCOFKRVQEFQK-LJQANCHMSA-N 419.869 0.894 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216652 XGNPDDBDNGDOBR-IERDGZPVSA-N 405.495 0.161 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC3CCCCC3)C2)C1 1831388371 RTENFRIHBPIUHV-XMSQKQJNSA-N 422.522 0.830 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OC)C2)C1 1831391047 FADHDAKARQJBIX-IIBYNOLFSA-N 417.462 0.199 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1831395931 BYFNLCJYNXBMFI-MGPUTAFESA-N 405.426 0.329 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1831406176 YJRDZPSOHGZSCM-NRFANRHFSA-N 418.494 0.458 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1831438509 SZXWDGDKTLVKSU-IERDGZPVSA-N 419.478 0.255 30 20 HCED 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C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(CC)n3)CCO2)C1 1834402945 QQYIXPIWLIYBDL-OXQOHEQNSA-N 406.483 0.564 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)ncc1[N+](=O)[O-] 1834761054 UFAXPZOQRHUSJO-SFHVURJKSA-N 403.395 0.282 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 1834952162 YCOPAOBLPUVZIJ-INIZCTEOSA-N 404.515 0.563 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1835096552 COZSIQOMRSUSNM-QHCPKHFHSA-N 421.453 0.442 30 20 HCED CC(C)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)C 1835342494 DNUHAJZDHDSOKP-LAUBAEHRSA-N 406.527 0.769 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nccn3c1)CCO2 1836574123 LVQOJHMOYXILHK-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](CC)NC(N)=O)CC2)CC1 1836859596 QJKDBKXGRWKJJZ-QAPCUYQASA-N 422.526 0.470 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)n[nH]1 1837445129 FPDFGRBNIZVZDG-BCVDLATCSA-N 418.498 0.260 30 20 HCED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1C 1838146380 MWPFKYKNMBTXAT-NRFANRHFSA-N 400.479 0.695 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ncn1)CCO2 1838254300 QZALGNQTABQWLH-LJQANCHMSA-N 404.854 0.613 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1839174930 FGNUHIXAHOXAEJ-FQEVSTJZSA-N 405.451 0.594 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1839224541 MBCFDQRNWXVKSN-KXBFYZLASA-N 407.471 0.589 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1839809112 RBHHAOJFFLBEDJ-IBGZPJMESA-N 419.390 0.012 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1)C(F)(F)F 1839892447 NGKJUXQPINMWMH-OAHLLOKOSA-N 420.413 0.914 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1)C(F)(F)F 1839894847 VEMMDKPGKGTYBQ-LRDDRELGSA-N 407.389 0.086 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1)C(F)(F)F 1839894963 BIQCMJQXOFKVTO-QGZVFWFLSA-N 407.433 0.902 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC[C@@H](C(=O)OC)C1)CCO2 1840148901 YRTCMMPWJLIKGA-FVJLSDCUSA-N 408.495 0.998 30 20 HCED Cc1ccc(C(=O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840164420 JFPYUHILQXROEM-FOIQADDNSA-N 406.504 0.952 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840383451 RDEGEUMVKCWQQA-NQIIRXRSSA-N 418.494 0.158 30 20 HCED CS(=O)(=O)Cc1ncccc1C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1842240478 PZRYCXWOOGXQPW-UHFFFAOYSA-N 402.476 0.747 30 20 HCED COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)CCC#N)C1)NC(=O)OC(C)(C)C 1842814344 IRJRMKDNYFFPLS-CQSZACIVSA-N 422.482 0.950 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1843103815 HECAWYNKCZMLAX-IRXDYDNUSA-N 417.506 0.974 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196892 AMSMOMMKBHDTTR-OAHLLOKOSA-N 419.478 0.925 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846217783 NMNHZGXJGDBABX-MCIONIFRSA-N 413.540 0.878 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1=O 10855965 GENAFISKGDGKFX-UHFFFAOYSA-N 415.362 0.610 30 20 HCED N#Cc1cccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 15036063 SSDZHSMXZXFRMT-UHFFFAOYSA-N 420.516 0.712 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 115401519 VPAKTWMCYNTKCM-UHFFFAOYSA-N 417.399 0.962 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)CCO1 410124014 IZRGVCFJOMGUMK-GOSISDBHSA-N 405.480 0.195 30 20 HCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 428225022 DQJADGHUWNUZRG-IYBDPMFKSA-N 405.524 0.764 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCS(=O)(=O)C1 433166886 HFELZAKNOYPWSW-APWZRJJASA-N 422.526 0.901 30 20 HCED COCC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)C(N)=O 442255551 FODSKEWFHABLOJ-MRXNPFEDSA-N 411.418 0.999 30 20 HCED CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 472323645 UKKHWSFAYJFYTE-UHFFFAOYSA-N 402.454 0.511 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 479928736 SIIKFUNYPUXQDQ-HBFSDRIKSA-N 415.538 0.806 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481550228 ZJTMUDZZNCFVAE-IUODEOHRSA-N 410.521 0.605 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(C(=O)N(C)C)CCCC1 482195223 WGSHFFCKBSOKEK-CQSZACIVSA-N 406.508 0.990 30 20 HCED Cc1nn2c(SCC(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)n[nH]c2nc1=O 485285497 BGFFQMDMNWLPLD-HNNXBMFYSA-N 424.490 0.622 30 20 HCED C=CCN1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 497706939 XOYOCKXQWKWQKQ-UHFFFAOYSA-N 410.540 0.749 30 20 HCED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 497950853 OJYYERQGNMOVOE-SNVBAGLBSA-N 402.270 0.534 30 20 HCED Cc1onc(CC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)c1C#N 500014662 DKEUQKRBXOCCIK-HNNXBMFYSA-N 410.496 0.135 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(C)C(C)(C)C1 508299808 MGIOAYTWRDWQQR-HNNXBMFYSA-N 407.540 0.367 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(N)=O)C1 508863606 KRDLAHTZXBDSQG-CQSZACIVSA-N 404.496 0.693 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 509952129 LKHBTVITAYQSNP-MRXNPFEDSA-N 424.523 0.967 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)nc1 516095508 OXXAJVZOUKYDJM-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CN(CC(=O)N1CSC[C@@H]1C(=O)N1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 522788079 WPFWQDOIQSLPNZ-MRXNPFEDSA-N 422.532 0.703 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cnn(CC)c1 523573948 AUJCPGAUFVRDAO-UHFFFAOYSA-N 422.514 0.930 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(OC)nc1 524234407 NJJIYVWRBSGEBA-UHFFFAOYSA-N 410.455 0.925 30 20 HCED COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 527088906 BEUGVVTUYVOLDQ-UHFFFAOYSA-N 413.482 0.963 30 20 HCED Cc1ccc(C(=O)NCCC(=O)N=c2cc[nH]cc2)cc1S(=O)(=O)NCC#N 530741539 YGUJOIZRXQUTSJ-UHFFFAOYSA-N 401.448 0.372 30 20 HCED C[C@H](C#N)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 531358608 WAXQHDOUJYYFSH-GFCCVEGCSA-N 404.448 0.851 30 20 HCED CN(CCC#N)C(=O)CCN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 534216606 WQUXVSNZFHNVMR-UHFFFAOYSA-N 421.523 0.747 30 20 HCED C=CC[C@@H](CO)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 539323089 KMUXLHMDNSGEPA-MRXNPFEDSA-N 409.508 0.454 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 553951685 LDEXAQVIARTVDK-UHFFFAOYSA-N 401.858 0.900 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 562182535 JMQWJTMUSGHNDF-UHFFFAOYSA-N 418.410 1.405 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCCn2cc(CO)nn2)c1 569173481 VMRBNRYMDDXPDC-UHFFFAOYSA-N 400.258 0.773 30 20 HCED C[C@H](CN1CCOCC1)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581409506 XBGJWRBBTWOJQQ-CRAIPNDOSA-N 413.478 0.942 30 20 HCED CN1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC[C@@H]21 584845765 PFYCPNNYLZXYSJ-AQNXPRMDSA-N 423.517 0.718 30 20 HCED C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 585692964 APVXACHWSYWGCA-NSHDSACASA-N 404.423 0.838 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 588127416 GNITVKPAFXNRRF-FQEVSTJZSA-N 413.522 0.498 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3ccn(CC(F)F)[nH]3)[nH]2)c(F)c1 589428545 XWXKPPAOVSIHKJ-UHFFFAOYSA-N 403.324 0.766 30 20 HCED N#C[C@]1(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCSC1 604544838 OXLCNMRMKKMCMO-OAHLLOKOSA-N 401.535 0.827 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 609077581 XJEKBDDZPOSJSH-GOSISDBHSA-N 420.535 0.532 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 609126980 JACGBYYXKBXRRE-SFHVURJKSA-N 401.442 0.473 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617122629 IONGTZSPJQCTDH-IAGOWNOFSA-N 404.492 0.589 30 20 HCED C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 670232843 WTUAJKMHRISZJS-UHFFFAOYSA-N 413.511 0.842 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 732492656 NPPGLPZPEBTHMS-MRXNPFEDSA-N 424.479 0.132 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2OCC(=O)N(C)C)CC1 733148499 AUOBCCJHOUZBBP-UHFFFAOYSA-N 400.479 0.051 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 742065633 NZNFCDYNVISBIX-QGZVFWFLSA-N 402.882 0.587 30 20 HCED C[C@H](CC(=O)N(C)CC(=O)NCc1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 742482017 FBPUGCSNIKSQDA-CYBMUJFWSA-N 418.475 0.872 30 20 HCED COc1cc(CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc(OC)c1 746432243 LEVOVLULRLGNAJ-UHFFFAOYSA-N 412.450 0.707 30 20 HCED C#CCNC(=O)CN1CCN([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 747959204 KTWKGVWETFARAA-IBGZPJMESA-N 400.479 0.176 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748432442 BSDVJQONFOQUIA-LLVKDONJSA-N 401.423 0.106 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](CO)C2)c1 749665091 ZDCDTWCXFAVUTJ-NNLSSIJJSA-N 422.507 0.669 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)NCC=C)CC1 749667838 ZQDXFYWVCYQIKE-UHFFFAOYSA-N 402.426 0.223 30 20 HCED COC(=O)[C@@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)c1cccc(C#N)c1 751644980 NUURBOGWDIQXKE-HNNXBMFYSA-N 408.370 0.575 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1C#N 752411282 QGUGHPVPJOISOY-CYBMUJFWSA-N 401.379 0.728 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(S(N)(=O)=O)c2)[C@H](C#N)C1 754387910 XDUWEEKHLANHFZ-LLVKDONJSA-N 400.482 0.981 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 760829086 CAVFEJVKTGROPR-UHFFFAOYSA-N 401.858 0.716 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 761038857 ZPEVRIGGUOKPPO-LJQANCHMSA-N 410.515 0.724 30 20 HCED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761131979 LDTDZDBYTHFHGE-UHFFFAOYSA-N 413.409 0.879 30 20 HCED C[C@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 763002861 BOHUVNOFCWTVMP-ZNASEZLDSA-N 406.468 0.783 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCOC1 763458657 SYHVXBSRTSHKDS-OAHLLOKOSA-N 400.504 0.314 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCN2C(=O)c3ccncc3C2=O)c1 768786225 PCMGGIMXVHAQFM-UHFFFAOYSA-N 413.411 0.446 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNc2nc(O)c3cnn(C)c3n2)CC1 769808547 KKXJJDODIKHDOF-UHFFFAOYSA-N 419.471 0.661 30 20 HCED COc1ccc(C(=O)OC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 770787486 USPFTEUPDUCRAR-UHFFFAOYSA-N 423.491 0.861 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1sccc1Br 771897643 PULJVDAXDYHEGQ-UHFFFAOYSA-N 421.298 0.611 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4c(c3)CCC4)c2=O)cn1 772301151 BBRHQYNXDQOBGT-UHFFFAOYSA-N 417.494 0.934 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cc[nH]n1 772398007 SCNOWDPSKAKPID-CYBMUJFWSA-N 405.455 0.743 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1=O 782564486 FDGYXADZBOAKBX-UHFFFAOYSA-N 420.385 0.546 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 782988003 SXOUWANZHDBQHF-INIZCTEOSA-N 400.522 0.811 30 20 HCED Cn1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc2c(=O)n3ccccc3nc21 784400770 PCJNJNNEGAQFLO-KNTRCKAVSA-N 406.402 0.442 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 787076034 MICVENRUXKAMMO-GDZNZVCISA-N 418.416 0.774 30 20 HCED CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1 794442982 XAXMZJIAKAVUET-DCKJRJMFSA-N 401.496 0.872 30 20 HCED C=CCN1CC[C@H](OC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 798565866 MDWYSLPYLFOWEX-SFHVURJKSA-N 422.503 0.970 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)c(F)c1 802570864 YWHLPLVQUYKKFM-CYBMUJFWSA-N 414.430 0.937 30 20 HCED CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 809393244 XKRAJSWJIVGUOW-ZFEMDRMUSA-N 413.374 0.316 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CCCCN2C2CC2)n1 809824276 MSDWFIYUEBUFAY-LJQANCHMSA-N 401.511 0.624 30 20 HCED C#CCNc1nc(NC[C@H](O)c2ccccn2)nc(NC[C@H](O)c2ccccn2)n1 811828035 XVKGIPKEZCMJPV-IRXDYDNUSA-N 406.450 0.998 30 20 HCED COC(=O)CCC[C@H]1CCCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 814883333 JMECYTPUWVXMLK-GFCCVEGCSA-N 414.484 0.252 30 20 HCED COCCS(=O)(=O)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 915640427 ZMDMGDFNEHUJLY-UHFFFAOYSA-N 423.470 0.575 30 20 HCED C=CCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)nn1 1005046447 JYECHDAJGKKOKS-FCEQMAOESA-N 401.467 0.377 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN([C@H]4CCOC4)CC3)C2=O)cc1 1118829617 KYRMIDKRUIBQFP-ZWKOTPCHSA-N 411.462 0.696 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1cncc(C#N)c1)C1CCCC1 1211881648 ZAEMYIFIDHAGPA-OAHLLOKOSA-N 401.514 0.186 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)C1 1302979544 RGRNUPPVYCBUGQ-FQEVSTJZSA-N 413.457 0.955 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1315048659 RESFFZKZRZRMFN-INIZCTEOSA-N 416.507 0.966 30 20 HCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1316347839 KMKDYJKRRPKHJO-UHFFFAOYSA-N 423.520 0.486 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)Cn1ccnn1 1451070868 ZPLYCMQCADRFHS-HIFRSBDPSA-N 420.495 0.053 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 1468406416 XIRBOVFUQBLAMM-INIZCTEOSA-N 410.521 0.797 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1 1503841225 SAOVTZTUBCAMPX-UHFFFAOYSA-N 403.512 0.943 30 20 HCED CS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519615136 ZBMRLDOORIKSAI-CVEARBPZSA-N 423.543 0.245 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1554494153 OULMSYYEQWZODS-UHFFFAOYSA-N 410.482 0.756 30 20 HCED N#Cc1cn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1 1652016304 XUISHGJURWPNCK-UHFFFAOYSA-N 410.843 0.463 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)NC 1694327968 VEGMCUVUCIMRPB-MRXNPFEDSA-N 415.495 0.188 30 20 HCED CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1696598809 ZEYYTQNLJXHJFU-CVEARBPZSA-N 410.482 0.994 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCOC1 1723931447 NTPAEACMCKBPQQ-DYVFJYSZSA-N 412.516 0.170 30 20 HCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1OC 1771337659 LPVGYFNMXGZIAV-IYBDPMFKSA-N 405.480 0.711 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1778967695 MHFRNWXIUUPGTD-KKSFZXQISA-N 403.479 0.402 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1778970705 DWFAGIYCULWXIP-VFNWGFHPSA-N 417.462 0.827 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1779099194 SCTOPPHWAGPFJR-AOIWNZGJSA-N 409.483 0.914 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1780807260 RDODJDDADKKJHX-MBOZVWFJSA-N 420.514 0.983 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)OC)CCO3)c(C#N)c1 1781177178 SLWRBVAJBRXDBV-YCRPNKLZSA-N 401.463 0.974 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1781268812 YHXUFHSAAWOAOJ-IBGZPJMESA-N 406.439 0.260 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1781396816 SOZUBUCTIFAPTH-MGPUTAFESA-N 414.466 0.974 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CN(CCO)CCO)C2)C1 1783253562 TVKUFMIYWSMUCX-NRFANRHFSA-N 411.543 0.095 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CC)NC(C)=O)[C@H]2C1 1783578779 ZCHKFCOAFIYOCJ-VJANTYMQSA-N 409.527 0.864 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3ccco3)C[C@@H]21 1785014642 WOKFJAFXGZITKQ-ZOBUZTSGSA-N 421.519 0.908 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787510804 GJZUOMYNATYLIB-OPEYRRHPSA-N 419.503 0.601 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1787518575 GCLQNXYNIRSPBJ-YFUQURRKSA-N 410.515 0.634 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1788755744 SMJIWNIGPQWWFV-QEOTZNIISA-N 408.499 0.458 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COCCNC(=O)OC(C)(C)C)[C@H]2C1 1789852881 MPIWIGSXTYZILF-JYJNAYRXSA-N 409.483 0.141 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc(C)cn3)C[C@@H]21 1789956187 WNZUQKOUOZNBAB-OWSLCNJRSA-N 405.499 0.972 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nn(C)c3c1CCC3)C2 1793343000 FSLXPHLXTHISAU-AFIMGQEJSA-N 400.479 0.150 30 20 HCED N#Cc1cccc(CCC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)c1 1794084589 ZLQJGXPAVOHFNV-BCDXTJNWSA-N 423.473 0.681 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCCCC1)C2 1795597800 FMHFCFIWAQVCOA-OPVJXMOQSA-N 419.570 0.734 30 20 HCED COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795597886 IZHXVAJCYPVVGW-JLVBRIDZSA-N 415.494 0.575 30 20 HCED Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n1 1795817174 VTKIITKYSVTLLA-IIPLXPACSA-N 401.423 0.222 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2c(n1C)-c1ncccc1OC2 1795936670 DQYQCVWWGQPVCE-CCWDJLKJSA-N 406.442 0.816 30 20 HCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2 1797785687 WODMYWCJUZSDFE-XUOIZXLYSA-N 418.534 0.826 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797933615 NCKVDCYMBKUIFO-DCXXXQMHSA-N 417.506 0.982 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2cccnc2)[nH]n1 1798160275 DFYZPUSDHVNLRR-DPYKFYPSSA-N 401.492 0.993 30 20 HCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccn(C)n2)C3)c1 1798574031 GZNXYOFLPBPNQJ-HGKCTWBKSA-N 409.446 0.817 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nn[nH]c2C(F)(F)F)C3)c1 1798694302 ZFBMLHFWYRIAKX-PEGIJTEDSA-N 423.355 0.540 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1799393421 FLRAMEGXDSJFNV-QZLJAVCYSA-N 423.539 0.403 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2)C(F)(F)F 1800548234 ASEYXYOLRFQHBX-MIFYACCESA-N 405.417 0.417 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)CN3CCOCC3)[C@H]2c2cccnc2)c1 1806906814 JGYWJYNSRUPACS-GHTZIAJQSA-N 422.489 0.933 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810288752 LCUIYOBGCDNAER-YMYKSDKLSA-N 411.462 0.647 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCC(N)=O)n[nH]1 1821951697 GZLJBENVOFRBMR-AWEZNQCLSA-N 403.487 0.949 30 20 HCED NC(=O)c1ncccc1C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822199349 MJXKONKEGVVEGO-CYBMUJFWSA-N 410.390 0.298 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnc3[nH]ncc3c1)CC2 1825666996 FTHGHOYITWBBBL-NSHDSACASA-N 410.415 0.728 30 20 HCED Cn1cccc1C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1827002522 KCLLTTJDHREOSI-SNVBAGLBSA-N 400.416 0.365 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1 1829778221 WTEHYAOLUCEKDD-HRAATJIYSA-N 407.511 0.714 30 20 HCED CC(C)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)C 1831212861 ICMWKFDOIDEXEY-IFMALSPDSA-N 405.539 0.879 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1831433638 KYQXBYLGGAPLKQ-VGOFRKELSA-N 418.490 0.982 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832671850 BNQMMRNQPWLKGA-QUCCMNQESA-N 423.535 0.871 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cncnc3)CCO2)C1)C(F)(F)F 1833124056 LQEYRZAUVDIDHQ-KRWDZBQOSA-N 414.384 0.594 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400578 BCHYQACUGDPRFQ-MAUKXSAKSA-N 412.512 0.150 30 20 HCED CN(C)CC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714807 SWKFEKUMWKDBFW-UHFFFAOYSA-N 406.575 0.401 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C[C@H](NC)C(=O)O)CC2)CC1 1834740438 KXEGRVCJXPIFQQ-QAPCUYQASA-N 424.542 0.212 30 20 HCED COCCOCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098810 QPQIRMWCBNGBLS-QFIPXVFZSA-N 416.474 0.158 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(O)n1 1835345735 XKQBQXKBBLRAPW-FQEVSTJZSA-N 400.435 0.469 30 20 HCED Cc1ccc(C(=O)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835348067 NZUBUWHVTMEIOV-QFIPXVFZSA-N 411.458 0.938 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3COc4ccccc4O3)C2)C1 1835355063 RCXRPVWGJDSQPW-WIYYLYMNSA-N 415.446 0.587 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1835513271 PNJHUPDANKQDKE-UHFFFAOYSA-N 419.570 0.298 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836042171 RYEQEAKXNCTHQY-OXQOHEQNSA-N 423.535 0.715 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)Cc3cnccn3)CC2)CC1 1836775838 MAWQRCQXKJKVMH-UHFFFAOYSA-N 400.435 0.106 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836962690 ZLDIHMOROXVXTD-BFUOFWGJSA-N 422.482 0.862 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837394785 JQNOXDWEXODQRJ-UZLBHIALSA-N 404.467 0.120 30 20 HCED C[C@]1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCCN1 1837445436 YNDHLJPMBGFHIL-UHFVFUGDSA-N 421.542 0.057 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838645645 ORMHSYBBYJCEKV-VQIMIIECSA-N 409.508 0.812 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cccnc4)C3)C2)c1 1838736000 DLDLSRDREKAVLH-JOCHJYFZSA-N 423.473 0.984 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838825453 WIXHYEZUJNXUGS-IBGZPJMESA-N 402.407 0.406 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]cc3C)C2)C1 1839173804 MUWIREWBKGWZAB-NRFANRHFSA-N 419.478 0.903 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C)c([N+](=O)[O-])c1)CCO2 1839190188 BVQVJOJOQJVUQH-FQEVSTJZSA-N 401.419 0.535 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839228105 SNJFZUVLRWZIIR-OXQOHEQNSA-N 421.498 0.449 30 20 HCED CC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839453637 VKIPKGUCTGXMMC-NRFANRHFSA-N 414.462 0.073 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773352 KVRFMYUHVQKTII-FQEVSTJZSA-N 421.494 0.680 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839845169 GHPSNKKDHZWHRZ-MAUKXSAKSA-N 402.513 0.090 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@@H]1C(=O)OC)CCO2 1840143756 DEWGZRXPFJAHSS-FIKGOQFSSA-N 406.479 0.774 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840812522 VTDHUWIDTQVPTD-OAQYLSRUSA-N 414.462 0.854 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)CCC1 1840813854 ADYZAQHWKQVGFR-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841582610 LJVPJACSACYPLO-UONOGXRCSA-N 401.529 0.091 30 20 HCED Cc1nc(C(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)c(=O)[nH]c1C 1842182427 OASZIVGOEXNMGW-UHFFFAOYSA-N 400.483 0.486 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842835633 VDDKGPDKQWTYDP-CQSZACIVSA-N 408.499 0.747 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)c1 1844893627 HKZPFBMVNGLCJZ-UHFFFAOYSA-N 416.503 0.106 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=O)OC)C2 1847074302 TYINMOBCPSDSBE-AWEZNQCLSA-N 422.482 0.462 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O 1848067138 CKBAIYOWWDSLLB-HOTGVXAUSA-N 418.570 0.791 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O 10853524 BLONVAXBLRPDKZ-UHFFFAOYSA-N 412.406 0.159 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(S(C)(=O)=O)CC1 32490561 ZVEYGQBCYSXROV-UHFFFAOYSA-N 411.528 0.529 30 20 HCED COCCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 48394222 IMRMXFFCOUBIAK-UHFFFAOYSA-N 418.475 0.915 30 20 HCED CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434823571 ULQLQQHANJNKFX-UHFFFAOYSA-N 402.499 0.676 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 438063697 CNDLBEKNAHTCDW-NVXWUHKLSA-N 411.528 0.726 30 20 HCED Cc1ccc(C(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1S(=O)(=O)NCC#N 444496089 HVUXALDOGJYLKO-IRXDYDNUSA-N 417.491 0.379 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)C(=O)N(CCC#N)Cc2ccco2)c1=O 446425547 SNTQNHCODWTTQB-UHFFFAOYSA-N 400.391 0.885 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(-c4nnco4)c3)CC2)c1C#N 472858732 CZGKWWTYIWLPBP-UHFFFAOYSA-N 420.433 0.938 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C)cn2)c1=O 474327572 CZTWJUHYARYELG-MRXNPFEDSA-N 410.499 0.598 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)Cc1cccc(C#N)c1 476718412 PLELUMNZMGGMOT-CYBMUJFWSA-N 400.460 0.983 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1C 477225231 VQBGHBXKMOWPPK-UHFFFAOYSA-N 403.479 0.940 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 481213564 ZIVRWZIIKNVDGB-MLGOLLRUSA-N 422.532 0.653 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 484444883 WRJNYHCUOBBQNT-UHFFFAOYSA-N 422.488 0.919 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 488175011 AETXNLYAGSBEPY-HNNXBMFYSA-N 403.549 0.371 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC(=O)N(CC(F)(F)F)C3)n2)cc1 488603067 AGWUFDRULPAVNA-UHFFFAOYSA-N 421.339 0.327 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1 490554857 JKOFGLFJCCIFDW-HNNXBMFYSA-N 422.507 0.557 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)cc1 497491584 NUUKNCYQVJZWRP-UHFFFAOYSA-N 413.503 0.795 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1=O 497989108 HEKMGPQQWWZKRX-CVEARBPZSA-N 408.449 0.929 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 505314884 RNRJMLMJXAWTOE-UHFFFAOYSA-N 409.487 0.522 30 20 HCED N#Cc1ccc(N2CCC(C(=O)NCCN3CCS(=O)(=O)CC3)CC2)c(F)c1 506847634 RLEWWOZZUCRPPE-UHFFFAOYSA-N 408.499 0.760 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 509092113 DLWXZVMVWNCGMJ-UHFFFAOYSA-N 409.487 0.522 30 20 HCED N#CCNC(=O)CNS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 511057618 MBAOPCWSWCYSJO-UHFFFAOYSA-N 401.242 0.252 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1=O 522972880 IEAJHEGEUPTHBI-AWEZNQCLSA-N 400.391 0.719 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 539203355 FRMIKRMKMYMUSK-HNNXBMFYSA-N 401.471 0.039 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccn4)c3)C2)nc1 551431328 UAFXQKRVXBPLFI-OAHLLOKOSA-N 404.390 0.547 30 20 HCED CC#CCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 554688695 XMWIUMOIOLSWNE-UHFFFAOYSA-N 409.483 0.921 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)cc1 555715495 CNIRHSMGGMPMTI-UHFFFAOYSA-N 421.505 0.837 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)C1=O 555945923 PBGVSVDZFRMGIZ-LLVKDONJSA-N 414.388 0.269 30 20 HCED Cn1nc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC(F)F 556326863 OJBDSWNRBFZZBW-NSHDSACASA-N 406.349 0.907 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCSC[C@H]3CCO)C2=O)cc1 562889752 MWCVKPIUVXFTSO-SJORKVTESA-N 416.503 0.496 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 564067532 QITRSIKXSALKFR-CZUORRHYSA-N 420.491 0.061 30 20 HCED COC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571195324 HGFZGVQXCQWNFO-QGZVFWFLSA-N 412.446 0.187 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)cc1S(N)(=O)=O 572759536 WDNLXXCWKWEWQD-UHFFFAOYSA-N 406.395 0.608 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ncc(-c2ccccc2)cn1 576423366 JJVMVZZHPCSUNM-UHFFFAOYSA-N 418.461 1.028 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OC 578064982 XKCIDPLLXGNGST-DLBZAZTESA-N 410.492 0.955 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCO2)CC1 583275855 ANMBGLQJJOOVKY-ROUUACIJSA-N 418.542 0.775 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 584312239 NJFQUBIRVDXAAN-HNNXBMFYSA-N 417.897 0.987 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)cc1 603625017 RBXAMXUCMUYKEE-UHFFFAOYSA-N 405.524 0.508 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 608890104 WSOKFCBZZQWYSU-UHFFFAOYSA-N 413.459 0.216 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C 732795585 NUOVJKMYHZBGDK-UHFFFAOYSA-N 403.508 0.270 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1C(=O)C(=O)N(C)C1=O 733564410 JZWLLJIEWYNZCZ-GFCCVEGCSA-N 416.390 0.294 30 20 HCED 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C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1833469439 WWBQTYMJLQRSBU-QGZVFWFLSA-N 416.526 0.278 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2)C(F)(F)F 1834031454 PWDQZDAXGPACNV-INIZCTEOSA-N 400.357 0.665 30 20 HCED CC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1834718808 JFWHNJOHPCQHEU-HXUWFJFHSA-N 411.418 0.094 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3cncn3)CC2)CC1 1834870549 PUZFDCICGXWAIU-MRXNPFEDSA-N 404.515 0.441 30 20 HCED N=C(N)SCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098287 HGRMVOMYHCMGFE-FQEVSTJZSA-N 416.503 0.121 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ccccn5n4)C3)C2)CC1 1835341732 BQCBHVBQTQFPGI-OAQYLSRUSA-N 409.446 0.708 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1835674259 HUAMGNMFVVAVOS-KRWDZBQOSA-N 420.432 0.677 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)o1 1836022018 SINWUBPKPOYXKO-JOCHJYFZSA-N 424.457 0.429 30 20 HCED CN(C)C(=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 1836258371 BRUXSCPBIMYUIE-UHFFFAOYSA-N 411.506 0.832 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cc(C)cnc13)CCO2 1836951061 XUWUWSUFJVZYQE-OAQYLSRUSA-N 411.462 0.521 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837559839 ASSBWSLSZUSKCH-QDLBXXMRSA-N 419.478 0.724 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795372 WGZMGWZCURJDRC-OAHLLOKOSA-N 407.515 0.996 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838253927 NXPMDRNSAIHUOU-IFXJQAMLSA-N 424.885 0.791 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838345777 FEJWTATYLTUIQS-QRWLVFNGSA-N 420.466 0.146 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908435 ZZHMCQIZAPYXCQ-VGOFRKELSA-N 414.506 0.968 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC(=O)N3C)CCO2)C1 1839214944 OCLUSXWGIXWOSF-FGSXEWAUSA-N 419.522 0.832 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839222489 PJPYSTOVDMHSNO-OXJNMPFZSA-N 419.482 0.276 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223151 OGPLTOXMRJCTAQ-CLWJZODNSA-N 413.515 0.651 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1839223728 GTWIYLMQIJJQQL-HNAYVOBHSA-N 408.455 0.854 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839483678 NCCOIOWFGQACMW-IBGZPJMESA-N 413.390 0.174 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839722316 MOVRIASCOKHJRN-QFIPXVFZSA-N 423.473 0.903 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1)C(F)(F)F 1839886185 MUODCRCGBWANPF-INIZCTEOSA-N 407.389 0.088 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1)C(F)(F)F 1839892069 QQOBVDZCSWRMIA-CQSZACIVSA-N 406.386 0.727 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1840162212 PCSODLVCYGQPRR-BDJLRTHQSA-N 404.439 0.667 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccnc3OC)C2)C1 1840840324 LGYIDPARIPBEFR-QFIPXVFZSA-N 415.490 0.893 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840843251 DLGXQGIHUOAQHK-JOCHJYFZSA-N 403.523 0.875 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cncc(S(C)(=O)=O)c2)C1 1842188519 KOVMKJOOUFHJQI-CQSZACIVSA-N 407.492 0.893 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1843104405 XTDGSORPEVVJJL-GJZGRUSLSA-N 418.494 0.864 30 20 HCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CCCC34CN(C(=O)CC#N)C4)C[C@H]1CO2 1845078100 VNLJODFBMBZURK-XOBRGWDASA-N 404.467 0.882 30 20 HCED CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847014703 PNPKWKOWNLYKJY-QGZVFWFLSA-N 415.421 0.164 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(N)=O 1847939424 GCYZYOSEWVADSA-ILXRZTDVSA-N 408.499 0.923 30 20 HCED CC(C)Cn1c(N)c(C(=O)COC(=O)COc2ccc(C#N)cc2)c(=O)n(C)c1=O 5990398 CRFMLSGUTOJIJI-UHFFFAOYSA-N 414.418 0.462 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 29203112 SCRUERDIMROQIW-OAHLLOKOSA-N 404.496 0.691 30 20 HCED CCCn1c(N)c(C(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(=O)[nH]c1=O 37114982 FMSFYSSCINQNHE-UHFFFAOYSA-N 424.505 0.791 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 47256980 AWIFMPCXJPOEMH-UHFFFAOYSA-N 408.461 0.929 30 20 HCED CNC(=O)NC(=O)COC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 138376320 KADSWNWXGBQQCI-UHFFFAOYSA-N 400.351 0.984 30 20 HCED Cc1nsc(N2CCN(C(=O)CN(C)C(=O)[C@H](C)n3cccn3)CC2)c1C#N 427590622 CDSSSICTFVXHHV-AWEZNQCLSA-N 401.496 0.888 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 428088060 ZWSHCCIDEXGTKX-CBZJRKILSA-N 422.532 0.830 30 20 HCED COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)nn1 441879044 DCRLGHNFAYOHTO-UHFFFAOYSA-N 403.342 0.820 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 442004724 VVJWICFBKBHGIK-ZDUSSCGKSA-N 423.420 0.802 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@]2(CCO[C@@H]2C)O1 448426040 RFIVRLAISHMGNF-VTJXTGGHSA-N 424.461 0.931 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C 460612182 HKRILBBMTNIGTF-PVLCWKDFSA-N 400.464 0.754 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](Cn2ccnn2)C1 460696785 IIWWPSYIKXZVRH-INIZCTEOSA-N 419.449 0.916 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1 463324467 HSLJTWGIKXYWEA-OAHLLOKOSA-N 404.517 0.765 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)no1 466196354 PGOGHASSJGSVEI-UHFFFAOYSA-N 400.414 1.460 30 20 HCED COCCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 475761798 RSCFLEUZKLPUJG-QGZVFWFLSA-N 422.507 0.322 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 488986399 RWXIOLVNUZCREE-GFCCVEGCSA-N 412.496 0.803 30 20 HCED C[C@@]1(c2cccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)NC(=O)NC1=O 493307826 BDZHAZLMGBBIOA-NRFANRHFSA-N 404.430 0.970 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 498874985 LFFGLNLHTNJBLI-CQSZACIVSA-N 415.855 0.280 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)OC)C2)cc1 503624124 ICILYQPVFRGZPJ-KRWDZBQOSA-N 415.446 0.840 30 20 HCED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 508035358 OIOWMYAVXGBFAH-UHFFFAOYSA-N 420.473 0.320 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 508944272 CYABLOISRZNIOM-CVEARBPZSA-N 422.555 0.948 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1 508968040 JTANQIBWBLVLGR-UHFFFAOYSA-N 411.393 0.701 30 20 HCED COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 513755519 QKAGRTYSYCXYSU-IBGZPJMESA-N 407.474 0.976 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)C1=O 522982061 MZEKRLTZWODIMQ-UHFFFAOYSA-N 401.419 0.828 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1ccccn1 525266109 UREKGNPLALOOGP-UHFFFAOYSA-N 405.439 0.261 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCN(CC)CC1 537487771 ZIAPDAVUIUQPQE-UHFFFAOYSA-N 407.902 0.839 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC 537737569 WEKPEQWSWFNUND-UHFFFAOYSA-N 414.443 0.652 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 537850426 KVBMGVDUULQPRG-UHFFFAOYSA-N 409.445 0.465 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 539223515 GGZXBASAWBZZFI-IIAWOOMASA-N 401.471 0.204 30 20 HCED C=CCNC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 540791219 MBNZDGOHNAHGFY-UHFFFAOYSA-N 409.386 0.672 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 541146403 UCWXOXTWHWBPNP-AWEZNQCLSA-N 400.414 0.658 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 551067532 ZHZKXYHWQBXQNY-HNNXBMFYSA-N 414.443 0.975 30 20 HCED C[C@H](c1ccc(F)cc1)N1CCC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 555420989 XQPWQANUACXQOI-COXVUDFISA-N 410.471 0.936 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)C2)c(F)c1 557653642 VGMTYXWRPBMKGG-AWEZNQCLSA-N 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0.728 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)n1 539180141 VKYYZLDCEKYHEB-UHFFFAOYSA-N 400.443 0.175 30 20 HCED CN(CC(=O)N1CCOCC1)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 539368071 FFPQDPGYEUKNQH-MRXNPFEDSA-N 405.524 0.248 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 540370084 MKYBKNCFDSWVLS-OAHLLOKOSA-N 405.451 0.164 30 20 HCED Cn1nnc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc21 543438527 OQCZJTOZNTUSPC-UHFFFAOYSA-N 410.459 0.987 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3CCN(C4CC4)C3)C2=O)cc1 559900514 KWVKOZLTWPSKRC-MJGOQNOKSA-N 409.490 0.376 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 562840729 GWWCCZFGRZTQLH-SFHVURJKSA-N 419.489 0.782 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 574235677 SANCYPZNFYGEMM-UHFFFAOYSA-N 413.471 0.368 30 20 HCED CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 584104007 FFQQQEOGWWXMAI-HXUWFJFHSA-N 420.517 0.891 30 20 HCED Cc1nc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)oc1C 589387323 WJVNEAUFHZKFDJ-UHFFFAOYSA-N 417.491 0.786 30 20 HCED CCc1nn(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c(=O)c(C#N)c1CC 609499117 OFYQOUALAWBXPN-UHFFFAOYSA-N 415.475 0.476 30 20 HCED COC(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)ccc1OC 610084158 DXQFABITYUMPLR-UHFFFAOYSA-N 411.480 0.718 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 610477799 QZMYRVHSUBFZGE-UHFFFAOYSA-N 413.442 0.457 30 20 HCED CCOc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)N(C)C 615632590 HFXGSQUHBIJJTP-QGZVFWFLSA-N 412.443 0.738 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)c1 679753234 KENDDXAOHOWRNG-UHFFFAOYSA-N 411.483 0.666 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 685171334 GPYSLYRXYKGHEO-PBHICJAKSA-N 402.499 0.187 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 726042632 LSEWNUYEWBOMGQ-VIFPVBQESA-N 422.325 0.581 30 20 HCED Nc1nc(Cl)c(C=NNC(=S)NCCc2ccccn2)c(N2CCOCC2)n1 726423479 KFPHBNAKBWZPEO-UHFFFAOYSA-N 420.930 0.985 30 20 HCED O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 731863071 PSGJIKUJZPVBAF-QEDPKASPSA-N 418.475 0.609 30 20 HCED CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732897588 BMSNUSBYTKOGIF-VDVBZYJVSA-N 410.496 0.715 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)CS(=O)(=O)CC)cn1 733202720 WJNCNJRSEQZXHK-AAEUAGOBSA-N 415.541 0.794 30 20 HCED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734572623 FDYVGANGTLXWAD-SJKOYZFVSA-N 417.443 0.601 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(Cc2ccccc2)CC1 735847357 KIEJFQACVOMBDR-DQRAZIAOSA-N 411.506 0.837 30 20 HCED N#C[C@H](C(=O)CCSc1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 739184337 SPGXDLSWAOYYEZ-CQSZACIVSA-N 424.500 0.906 30 20 HCED C[C@H](CC(=O)Nc1cccc(S(N)(=O)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742466497 OQZBDNDKPBNADR-LLVKDONJSA-N 422.488 0.790 30 20 HCED CN(CCN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1)Cc1ccccc1 746396922 XLCYGXPDOIZAKM-UHFFFAOYSA-N 409.494 0.621 30 20 HCED CCCCNC(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748753562 ZAAZVPXNNCEITH-CYBMUJFWSA-N 410.521 0.543 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 760679257 GRKFSTNAFNYJON-CQSZACIVSA-N 417.447 0.063 30 20 HCED CCC(CC)C(=O)N1CCC(=NOCC(=O)NCCCN(C)S(C)(=O)=O)CC1 762690468 JNSOQSUFUZWWOD-UHFFFAOYSA-N 418.560 0.815 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCF)C1=O 767738714 PHJBBITUHDDHIJ-BPHPCYGNSA-N 416.500 0.630 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 770416901 JDWAXLKYCPNLRJ-UHFFFAOYSA-N 409.490 0.951 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(CC(F)(F)F)C1=O 773094435 NAKNSUKXIORGDK-LLVKDONJSA-N 418.397 0.395 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CON=C2CCCOCC2)CC1 778601993 VEAVLVRBMUIOSA-UHFFFAOYSA-N 414.484 0.697 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@@H]1CCCO1 778729703 RAMJWMGFKFREHY-SJORKVTESA-N 403.410 0.534 30 20 HCED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(N)=O 784759116 NTAHEKBLCPPDRA-QQHUYRGFSA-N 423.495 0.064 30 20 HCED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 787045907 LJMBUPXNTIDSEM-LSDHHAIUSA-N 422.445 0.410 30 20 HCED CC(C)(C)OC(=O)N1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787779624 YGWWHCBSGMTMSD-UHFFFAOYSA-N 416.482 0.951 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCCO1 793732882 JTQPFSXQZQGXAI-NZSAHSFTSA-N 412.490 0.302 30 20 HCED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 807315479 IFUSQOSUZXNTPF-OAHLLOKOSA-N 401.345 0.998 30 20 HCED CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 808036655 FMRORQWYJVWTBD-ZBFHGGJFSA-N 416.482 0.855 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)cc1 813026610 DGUIVADDFOHQBF-MOLDEKSUSA-N 422.507 0.810 30 20 HCED CN(C)C(=O)[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCN1C(=O)[C@H](F)C(F)(F)F 815786024 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0.407 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1559975609 UMAYTUSCNZXOBD-LJQANCHMSA-N 413.503 0.737 30 20 HCED CC(C)(CCC#N)CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1570040576 LSCVTVDLVQIDTB-UHFFFAOYSA-N 401.510 0.815 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(C)(=O)=O 1611679424 WRNPDGHYCBQNHS-GFCCVEGCSA-N 418.545 0.063 30 20 HCED CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1638137033 MTVADJLZJUMNCL-IBGZPJMESA-N 403.439 0.680 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(N[C@H]4CCOC4)C3)CC2)cc1 1639360690 LGHOYOYZXCYPMU-KRWDZBQOSA-N 418.519 0.548 30 20 HCED N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)ccc1Br 1660725718 MSMUUCSNOWODPI-UHFFFAOYSA-N 408.299 0.681 30 20 HCED Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1693394740 NIFSBHZFZKCYPV-JSGCOSHPSA-N 406.516 0.825 30 20 HCED CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)OC 1743960493 SPDQJSKMBNOOKP-KBPBESRZSA-N 414.532 0.822 30 20 HCED O=C(/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)NC1CC1 1778831460 GMLKTEUWGBFYBU-XRMQYXDOSA-N 414.462 0.363 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021347 NGHSAGYZGSPBLF-WYCILAGTSA-N 424.498 0.850 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379783 GELXXHGFAAZVFA-NXFFSXPPSA-N 416.394 0.474 30 20 HCED CCc1nc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)co1 1779701533 FDADMEOLDRPTBR-FQEVSTJZSA-N 403.483 0.962 30 20 HCED CN[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)C(=O)O 1780177994 QCPWBRPSRJWMDH-RZQQEMMASA-N 417.466 0.077 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1ccccc1=O 1780335400 SLVOVWKQPXQLKJ-YCRPNKLZSA-N 409.446 0.753 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc2nccn12 1780335720 GJYZIJSDZIATQY-OAQYLSRUSA-N 419.445 0.995 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1782010081 CLCHGXRXGDWOFP-DYESRHJHSA-N 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COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1=O 500350981 CQCSDAZKGSDCOT-CQSZACIVSA-N 416.434 0.564 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 502025464 DHLCQLOQPODBJX-LVCYWYKZSA-N 417.529 0.921 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 503424710 HAFPEGVJLNSPNM-CYBMUJFWSA-N 403.913 0.705 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1cn(C)cn1 503659907 RZEBAYSFAUCFES-UHFFFAOYSA-N 404.496 0.160 30 20 HCED N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)o2)cc1 503734038 JKOXIRZUUBZZEJ-LBPRGKRZSA-N 406.445 0.952 30 20 HCED N#CC1(F)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 510873256 DFPNOWRRVVNRCV-UHFFFAOYSA-N 410.471 0.974 30 20 HCED C=CC[C@H](CO)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 512442389 YBRKTNUBZGEVDM-CQSZACIVSA-N 414.484 0.554 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)nc1 516539160 UEPGMKOONHBXNV-UHFFFAOYSA-N 420.385 0.806 30 20 HCED C=CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 532718190 CIEOIHAVVALAOC-CYBMUJFWSA-N 401.435 0.695 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ncccc4F)CC3)CC2)o1 536394252 FVUVBAVUMYLUJL-UHFFFAOYSA-N 413.457 0.860 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 538555827 AYCHPRNKIMTBSO-UHFFFAOYSA-N 406.508 0.493 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1 540681827 CZLBHEYTTUZABE-UHFFFAOYSA-N 414.462 0.414 30 20 HCED CC(=O)c1ccc(C#N)c(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 543451020 NXDWXPUVEFPEOQ-UHFFFAOYSA-N 402.432 0.964 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCOC2)n1 543932352 DFNXHCITACUIHE-XHDPSFHLSA-N 403.826 0.849 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 546001759 IKLRMNJGBPNZJH-HNNXBMFYSA-N 400.435 0.603 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCOCC2)cc1 548462579 HVQDHERNWIAZIX-UHFFFAOYSA-N 411.480 0.089 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCc2cc(OC)c(OC)cc2C1 551587752 JOWVGGYCNMAUPH-UHFFFAOYSA-N 422.463 0.546 30 20 HCED COc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)N1CCCC1 552327088 LXBKGOCJWRTZKM-UHFFFAOYSA-N 404.452 0.373 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CCO1 555028689 RAXYFIXAFTYQQK-KRWDZBQOSA-N 409.402 0.657 30 20 HCED CC#CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 559466351 GLWMWRDTLPQDPP-UHFFFAOYSA-N 407.492 0.246 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)c1 561283755 AVYLJHTYUQXFQC-KRWDZBQOSA-N 420.477 0.177 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)cc1Br 563500100 COLNGKLJYFLCLN-PELKAZGASA-N 416.253 0.660 30 20 HCED CCC(CC)(CCO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 568886848 WFQPXIKTKIRFEC-UHFFFAOYSA-N 422.551 0.922 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)C2=O)cc1 571309655 LVLDOPDXECWKFU-FCGDIQPGSA-N 422.485 0.849 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCOC[C@@H]3CCCO3)CC2)c1 572063975 YOZJUUIQDBRKKM-KRWDZBQOSA-N 401.467 0.304 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)c3cncc(C#N)c3)CC2)n1 582329742 HVLLLOJORIKVIS-CYBMUJFWSA-N 406.468 0.940 30 20 HCED COC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1F 583242937 STECTTOPYAKLSQ-UHFFFAOYSA-N 409.399 0.844 30 20 HCED COCCN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 583585684 KTWWIBATOVVGOK-UHFFFAOYSA-N 418.885 1.372 30 20 HCED COc1ccc2c(c1)OCC[C@H]2NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 588347898 VBDYPZAJOBUIEZ-OAHLLOKOSA-N 412.450 0.903 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 606987675 KEDGFFDYAYFGTL-UHFFFAOYSA-N 402.499 0.686 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 619228335 KAAJBSHQBLUTSO-UHFFFAOYSA-N 420.385 0.806 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 619836032 ZCAADBZFZWVTNC-UHFFFAOYSA-N 420.426 0.018 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)C1=O 726043427 UGQJIRQQHJTFDW-JTQLQIEISA-N 420.353 0.382 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCC(=O)OC 726574289 CJVWXNVJZMDACN-ZDUSSCGKSA-N 416.503 0.715 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 728571185 XPUXKOXAWXWWLY-ROUUACIJSA-N 414.506 0.040 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC(C)(C)C 729381748 LHHZCIKZUVJKHJ-LLVKDONJSA-N 410.452 0.393 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 730073707 RPEPPKGYPYPYKY-FJGOLAJPSA-N 419.463 0.189 30 20 HCED CN(C)C(=O)COc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732421240 XZSHRTGWHRUMAK-ISLYRVAYSA-N 401.423 0.802 30 20 HCED Cc1nnc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1C 733152505 YBFJHNZPRZWIDF-CQSZACIVSA-N 404.496 0.893 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 737009580 UXRYMZUUENVZAA-UHFFFAOYSA-N 410.434 0.483 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc(F)ccc1N1CCOCC1 741087161 UISDNTABZUAVEK-HNENSFHCSA-N 417.441 0.988 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nc4c(cc3=O)CCCC4)CC2)cc1 746659100 YFMFVKDNGDIHHF-UHFFFAOYSA-N 413.503 0.958 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)c1 750607866 HKTSKHHZHLUTQC-UHFFFAOYSA-N 418.475 0.701 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754610441 AKCPQQKNRDSNGZ-CZUORRHYSA-N 400.435 0.770 30 20 HCED COc1ccc([C@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 763369757 PPCRDLXPVUXFSL-QGZVFWFLSA-N 406.402 0.936 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 764031083 SNSXXOBRICPSEY-INIZCTEOSA-N 421.431 0.882 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 767038384 QRZWOVJHAKXBDY-AEFFLSMTSA-N 422.489 0.750 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 767551304 NXERFIRHWSLJHM-FQEVSTJZSA-N 414.466 0.257 30 20 HCED COCCOc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(Cl)c1 770867365 ZYYYSMHFPXTHNS-CQSZACIVSA-N 414.867 0.945 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)nc2C)CC1 774291002 PWJFTXQIEGFCJV-UHFFFAOYSA-N 424.299 0.537 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCCO1 775801737 YRRSTTMKFXYFEG-TWOQFEAHSA-N 400.435 0.264 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 778702309 VKVYDLLIMYJRCX-IHRRRGAJSA-N 420.470 0.904 30 20 HCED C[C@H](CC(=O)N1CCN(CC(C)(C)O)[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 781860346 TWOZRPNEVDSTHE-HUUCEWRRSA-N 422.551 0.807 30 20 HCED N#C[C@H](C(=O)Cc1cccc(N2CCCC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 786417786 MRLPDTFPRCTIQI-MRXNPFEDSA-N 403.460 0.322 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)[C@@H](C#N)C(=O)NCc1ccc(F)cc1F 786562105 XEYXZPDVKLNBEV-CYBMUJFWSA-N 424.404 0.931 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789118128 LWDMQXZCGJTDRV-ACJLOTCBSA-N 408.455 0.153 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c1=O 793678910 QOYUHNQCBSIDIM-GFCCVEGCSA-N 404.389 0.543 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 800013499 ZAXQQKKADBPTPA-HNNXBMFYSA-N 403.549 0.855 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800051226 HCYXBOXRGWCNRC-NSHDSACASA-N 420.479 0.864 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCOc3cccnc3)C2=O)cc1 804075885 LIRKNVPGHAXOHX-SFHVURJKSA-N 407.430 0.366 30 20 HCED C#C[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1F 804421805 UIRQCPIECDXXHM-CYBMUJFWSA-N 403.801 0.717 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 810777903 QLMZZSBBPRWEHH-MJBXVCDLSA-N 400.522 0.753 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1 811251234 FFDPLFFZOXPRJY-UHFFFAOYSA-N 414.443 0.643 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC)C1 812072274 WKAJQRHMWPWWQO-MRXNPFEDSA-N 404.496 0.981 30 20 HCED C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 815478116 IXJRULKSXFPDDI-LDYMZIIASA-N 405.354 0.821 30 20 HCED 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CCOc1ccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C#N)cc1 1343504421 WBPBNKIFJMDVRX-UHFFFAOYSA-N 403.464 0.859 30 20 HCED CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1509581013 ZNWKPVXEAVLURJ-UONOGXRCSA-N 411.532 0.436 30 20 HCED COCCN(C)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1519112563 RODQOQFCCZJUNE-MRXNPFEDSA-N 405.503 0.098 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](n1cncn1)C(F)(F)F 1565205330 XHBPTEHIGILRQT-DGCLKSJQSA-N 409.376 0.963 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 1587300324 MVBOOPLHKSERML-UHFFFAOYSA-N 417.443 0.912 30 20 HCED COc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)cc(Br)c1OC 1632040237 OQRMIASRTLCLMY-UHFFFAOYSA-N 423.223 0.917 30 20 HCED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)n(C)n1 1693403055 QMHYLORSIQRNPG-ZDUSSCGKSA-N 406.516 0.719 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1706621649 FMDCCRIVIWCXML-HNNXBMFYSA-N 423.543 0.028 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(S(C)(=O)=O)CC1 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CCc1oncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734545 AEYIMONURZCDCB-FQEVSTJZSA-N 413.434 0.821 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839117278 BREMSXJSFOIOAD-NRFANRHFSA-N 404.511 0.765 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1[N+](=O)[O-])CCO2 1839233756 MCQSFLDIIZWMKB-HXUWFJFHSA-N 417.418 0.236 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839883777 DAICRZVGTAMUJW-JOCHJYFZSA-N 413.474 0.021 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C2)C1 1840044225 RDVXEUDAJUQSFT-NPPFBWRTSA-N 412.442 0.335 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)C1 1840157263 JTEJFRNFONBYIZ-NXEZDXNNSA-N 414.524 0.350 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@](C)(O)C(F)(F)F)C2)C1 1840158468 MRWVOIKAGXYGGV-BPNCWPANSA-N 400.419 0.074 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840162200 OPVAPHZYIGRIMQ-ACJLOTCBSA-N 405.480 0.118 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840437325 FUGHIIWSJNIVPH-KXBFYZLASA-N 410.540 0.354 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(F)CCC3)CCO2)C1 1840620835 RQXZDEFUMCLYGE-IBGZPJMESA-N 410.490 0.617 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840843843 OWTCJSXLVIFGKE-FQEVSTJZSA-N 417.418 0.784 30 20 HCED CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842815382 SXIRJDXDPURCPR-OAHLLOKOSA-N 422.482 0.950 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)N1CCN(C)CC1 1844314842 DSMZOQUEYSNNGO-KOWBDXASSA-N 401.511 0.538 30 20 HCED CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)c1 1844795335 YXCUUPPGIZGRHH-UHFFFAOYSA-N 413.459 0.816 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1846195278 XIEXINGEKVTTAZ-UHFFFAOYSA-N 404.444 0.142 30 20 HCED C=CCNC(=O)COC(=O)CCNS(=O)(=O)c1cccc(Br)c1 24231849 SXVRKYJYFUDZHD-UHFFFAOYSA-N 405.270 0.963 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1 25955157 HTUSHIDBBODIOP-UHFFFAOYSA-N 415.537 0.695 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)c1 27428202 NKCKSZQEKSCLJD-UHFFFAOYSA-N 407.540 0.974 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2ccc(C(C)=O)cc2)c1=O 31584811 HBQKJAJICHFOLK-INIZCTEOSA-N 401.419 0.186 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C(=O)N(C)C)nnc12 53110749 HYVAIVVMERKLPZ-GFCCVEGCSA-N 414.491 0.915 30 20 HCED C=CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@@H]1CCS(=O)(=O)C1 57238092 DMQSBAATAKQLPF-CYBMUJFWSA-N 409.420 0.522 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)Cn2cc(Br)c(=O)nc2O)CC1 303145000 RSUXPIVEGQZNTF-UHFFFAOYSA-N 418.251 0.932 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 409537528 NFRSYXZGBSRSEE-UHFFFAOYSA-N 419.529 0.468 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 409596167 RPJNJFRPGMZBOC-UHFFFAOYSA-N 404.514 0.181 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](C)C#N)ccc1OC 434996821 WZBOOFQKQKHCLY-GFCCVEGCSA-N 412.468 0.176 30 20 HCED N#Cc1ccccc1OCC(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 438594014 DIJCFAYBFHHUQF-UHFFFAOYSA-N 420.413 0.914 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443303659 SDWLLHLFFXYTCQ-UHFFFAOYSA-N 414.340 0.711 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 445105623 CYVZUQHOWXNDRP-UHFFFAOYSA-N 402.495 0.998 30 20 HCED CCOC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446529762 KEIWUIXWVSVRAZ-UHFFFAOYSA-N 402.451 0.876 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)c1 461657336 CONJKUROXIUNRH-UHFFFAOYSA-N 404.467 0.508 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 465418105 SCLKPPWRKFBPDY-CYBMUJFWSA-N 419.445 0.909 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c(F)c1 466269252 PVNMIBTWJDLNFE-UHFFFAOYSA-N 411.390 0.693 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)C2)n1 471765330 CVQQWJKCPRCNDX-CKJXQJPGSA-N 410.478 0.973 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c1 475257957 FNHRNZDLBZHCEA-GOSISDBHSA-N 419.441 0.903 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 475955357 HWVJKMSVKCLRLL-OALUTQOASA-N 410.474 0.945 30 20 HCED CC[C@@H](C)[C@H]1CN(C(=O)c2cnn(C)c2C#N)CCN1C(=O)c1cnn(C)c1C#N 476487721 URMSJYWVHATCOB-FZKQIMNGSA-N 408.466 0.910 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1Cc1ccon1 480963700 WTSPPYHFJVAZOI-UHFFFAOYSA-N 424.482 0.984 30 20 HCED CN1CCN(c2ncc(CN[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2)CC1 486902497 LDRYFPCMJDITEO-FQEVSTJZSA-N 405.506 0.991 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 487129213 FQPMPTIWQYPRGL-QWHCGFSZSA-N 409.464 0.046 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3)c(=O)n2C)CC1 489029252 AOLMBNZBHDOPFO-UHFFFAOYSA-N 416.934 0.767 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccn4ccnc4c3)C2=O)cc1 499674528 FPXOSQJWZWCYNX-SFHVURJKSA-N 416.441 0.739 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 505755884 WWMDJRCEYHTQKW-GDBMZVCRSA-N 402.480 0.755 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2C)CC1 508753804 LWSGPTHILNMDBR-UHFFFAOYSA-N 418.523 0.310 30 20 HCED C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508938696 LZCOSWDZSFZIKM-UKRRQHHQSA-N 403.443 0.772 30 20 HCED C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 508956505 QHWRYFQSWQEJBD-OAHLLOKOSA-N 418.885 0.999 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC)Oc2cccc(F)c2)CC1 515700979 GVBVPJFPJTYLKX-QGZVFWFLSA-N 420.485 0.546 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1C#N 516151163 MLHDOSKIRYFVSP-HXPMCKFVSA-N 401.471 0.873 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 516608389 NOPBUTKHFRIXTM-ZDUSSCGKSA-N 418.397 0.506 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 517548100 IZWDRUNJXDZMOR-LJQANCHMSA-N 423.491 0.655 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2CC)c1=O 533579472 BDWXNOOJSXVJBZ-UHFFFAOYSA-N 415.519 0.288 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1 538167365 CVYKDVCBMCBGFE-CVEARBPZSA-N 417.466 0.685 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1CCCN(S(=O)(=O)CC)C1 539004588 GPJAAOSFXZPAMV-ZDUSSCGKSA-N 411.484 0.974 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)n1 542075164 WYPZWXAXFKSKCP-ZDUSSCGKSA-N 413.825 0.572 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cc1 544928169 PGITYJLIZMSTCE-OAHLLOKOSA-N 405.480 0.555 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(C)C3=O)nnc12 547786404 QAMYDXIAZZDJJC-ZDUSSCGKSA-N 412.475 0.669 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[C@H]1N1CCN(C)CC1 561013730 DHBWTIHKEFJALT-NVXWUHKLSA-N 415.542 0.933 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)CC2)c1C#N 561700908 HBQVBWILUCIWTF-NVXWUHKLSA-N 400.483 0.323 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 573765463 DGOZJVDPGCFZEI-CQSZACIVSA-N 412.427 0.639 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 575068602 ZCTYQLLQNYQAFI-UHFFFAOYSA-N 421.482 0.539 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(N3CCSCC3)CCCC2)C1=O 576604154 NRGNIXBGBSJXOW-INIZCTEOSA-N 408.568 0.710 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 579532190 PDNCTVFVHCYALK-UHFFFAOYSA-N 405.270 0.745 30 20 HCED C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 588700883 ZIGCXQOBWRUUGK-SMDDNHRTSA-N 422.367 1.315 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 609285746 OLUKERIPVIUZJG-ZWKOTPCHSA-N 406.508 0.550 30 20 HCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1cccc(C#N)c1 610357753 SPCBCFDEYVXWKD-MRXNPFEDSA-N 420.539 0.439 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H](O)C1CC1 610571760 KHLPDBZHSFFTPD-QGZVFWFLSA-N 406.508 0.094 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 610810769 HHURZOTYXVFERB-CJNGLKHVSA-N 423.491 0.794 30 20 HCED COCCN(C(=O)CN1CCC[C@](C)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 612154701 BRKBXPGCGVZMBC-HXUWFJFHSA-N 420.514 0.792 30 20 HCED COC(=O)c1coc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 729112197 BYMXMSZVJXTQCG-UHFFFAOYSA-N 406.372 0.531 30 20 HCED C#CCOc1ccc(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 731013227 LUJMJEDJKKHTQJ-UHFFFAOYSA-N 401.400 0.893 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 744026892 ATUNASHBGGYXLW-CQSZACIVSA-N 406.464 0.319 30 20 HCED C=CCOCC(=O)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 744200541 HFVYVRLNNFEKLX-UHFFFAOYSA-N 418.269 0.647 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 746543792 VGVFPTQSVUVKRR-UHFFFAOYSA-N 412.427 0.456 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)c1ccc(C#N)cc1 748307589 ZNDTVTVDJXHLDB-GFCCVEGCSA-N 415.427 0.750 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748432445 BSDVJQONFOQUIA-NSHDSACASA-N 401.423 0.106 30 20 HCED C#CCN1CCN(C(=O)Cn2nnc(C3(NC(=O)c4ccccc4)CCCC3)n2)CC1 749874281 NNRPDCSOYWEEBC-UHFFFAOYSA-N 421.505 0.650 30 20 HCED Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 750336661 HKKAYKBDVMDGNC-ZDUSSCGKSA-N 419.463 0.757 30 20 HCED N#Cc1cccn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1=O 750607925 KBZRHCDWXNZNDJ-UHFFFAOYSA-N 403.420 0.592 30 20 HCED CNC(=O)[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 750962244 NVKDRCSZBQEHLQ-GCJKJVERSA-N 419.441 0.929 30 20 HCED CS(=O)(=O)CC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 752729397 NGMVFROQNJTFIL-UHFFFAOYSA-N 413.521 0.446 30 20 HCED C#CCOCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 753239469 AVHBYHNFWRZWML-SFHVURJKSA-N 410.492 0.917 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)CCOCCOC)c1 754748295 AEOALXWQHBPKII-UHFFFAOYSA-N 410.492 0.326 30 20 HCED CN(CC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)S(C)(=O)=O 754787304 VVPMTLIPVDORJH-UHFFFAOYSA-N 410.271 0.017 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 757157072 OEGWGIUPGFCNBV-RDTXWAMCSA-N 418.461 0.506 30 20 HCED C#CCn1c(=C(C#N)C#N)sc(=Cc2cc(C)c(OCC(=O)OC)c(C)c2)c1=O 758050442 RXUQLOYOFCTPEJ-UHFFFAOYSA-N 407.451 0.738 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2CC)c1=O 758075987 CNGZHSUIFVLRAO-UHFFFAOYSA-N 404.455 0.296 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769638553 IHSDLMIVGCCSHH-UHFFFAOYSA-N 411.531 0.908 30 20 HCED O=C(Cc1noc(C/N=C2/NS(=O)(=O)c3ccccc32)n1)NCc1ccco1 770962121 ZKLIZZKPLRBGQP-UHFFFAOYSA-N 401.404 0.760 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)c1 774018450 GCGDCJYWYLAHNQ-UHFFFAOYSA-N 401.444 0.909 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@@H]1O 774490688 KMVBSTSWVDAFDF-PJBPHQFTSA-N 422.507 0.667 30 20 HCED CCS(=O)(=O)CCN(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 776003207 QJKYCEPQSPDMHU-GOSISDBHSA-N 410.515 0.901 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 779511266 SKTOBFUUUHZWQP-QAPCUYQASA-N 421.519 0.011 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)[C@@H](C#N)C1 787115225 NLTZKLPGVMRJIL-HNNXBMFYSA-N 414.466 0.603 30 20 HCED C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787780655 ZPQFZXKOVMDLAY-CQSZACIVSA-N 413.507 0.843 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 796966706 JPIWLQCJKMXCGE-AWEZNQCLSA-N 415.516 0.134 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2(S(C)(=O)=O)CC2)cc1C#N 797360782 WKRHHPJDWKXQTR-UHFFFAOYSA-N 408.436 0.759 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2)cc1 799269862 LLUCUUBSYQFICU-CABCVRRESA-N 409.406 0.093 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCCO1 805029099 NPFPLNUEPOYKKQ-UXHICEINSA-N 411.502 0.881 30 20 HCED C=CC[C@H](NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1)c1ccncc1 805367164 ZDORHSHQBIECCR-SFHVURJKSA-N 401.511 0.874 30 20 HCED COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 805502794 OHLMUXHCGFJCQX-NEPJUHHUSA-N 410.448 0.925 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1 807613744 NRYKMYPXRUHWHA-KSZLIROESA-N 402.495 0.811 30 20 HCED CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 809393242 XKRAJSWJIVGUOW-JBEXSADBSA-N 413.374 0.316 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810397862 CVTNQDJIALJNTN-UHFFFAOYSA-N 404.452 0.359 30 20 HCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 913242441 FNKDLWOGFPXNRN-QGZVFWFLSA-N 409.464 0.263 30 20 HCED COC(=O)[C@@](C)(CO)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1307825472 KLOPNLJEQHMKQN-SPLOXXLWSA-N 418.494 0.870 30 20 HCED CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1312625299 ISJSGDKSLXLEGQ-JKSUJKDBSA-N 407.496 0.286 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)NCC(F)(F)F 1319795424 DCDMHYYALBFYGM-ZJUUUORDSA-N 406.386 0.408 30 20 HCED 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30 20 HCED COC(=O)C12CC(C(=O)Nc3nc4c(s3)C[C@H](NC(=O)C#CC(=O)O)CC4)(C1)C2 1825559214 WKDVMYFCMFDZOE-RPEWGDSMSA-N 417.443 0.486 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cnc3ncccn13)CC2 1825667221 IWFWEHICKGZDQG-SNVBAGLBSA-N 410.415 0.500 30 20 HCED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)NC(=O)OCC)CC2 1826038919 CJWYWJKPXYVJQV-MEDUHNTESA-N 408.480 0.923 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)Nc4cnccn4)C3)C2)C1 1829669448 YYFSWBJDNOKGGK-IERDGZPVSA-N 415.494 0.700 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1829787538 XNISBMDDVZWWKE-OXQOHEQNSA-N 420.514 0.683 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1 1830064307 ILGWFQHSKQDPFP-JXFKEZNVSA-N 403.483 0.759 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)c3C)C2)C1 1831396877 SDFSCFUJNOOMLF-GCJKJVERSA-N 417.506 0.750 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1831406046 QVVQXGIZBRHIER-HXUWFJFHSA-N 424.473 0.910 30 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CCOC(=O)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834765111 JLEIIWOHSNNMFX-NRFANRHFSA-N 415.446 0.847 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)OC)CCO2 1834848587 UGQRZUTWYWEUAY-HXUWFJFHSA-N 412.483 0.379 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=C(C)OCC1)CCO2 1836273332 JZGOOLJIXZEFPS-NRFANRHFSA-N 422.478 0.647 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837302934 HSXBEKVOOSPTAQ-UTKZUKDTSA-N 421.494 0.663 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1837391102 HUIBNYNUXRTLTK-GCKMJXCFSA-N 412.527 0.423 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1837395116 PQRQQEHQHSSIGM-JXFKEZNVSA-N 407.467 0.626 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cn3)C2)C1 1837395185 SFLDDTVTUKVEGN-LAUBAEHRSA-N 421.469 0.864 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CC)nn1C)CCO2 1838040272 ICZJFDGQVDIPEU-FQEVSTJZSA-N 422.551 0.972 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)c1 1839451396 QCFIECZLUZPRPQ-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1839838564 JMCDLJCHFKSCMR-IERDGZPVSA-N 403.479 0.668 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1839842029 JIMNQVIEUQACIE-SAJDBWTASA-N 405.495 0.490 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)cc1 1840011572 CGGRMCTYXAIRBT-SIKLNZKXSA-N 413.474 0.736 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccoc4c3)C2)C1 1840044433 HPXRBTNTJUUEHV-OAQYLSRUSA-N 412.398 0.591 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840129754 CPYKHDQNYBWPAO-HLESVKLYSA-N 419.478 0.770 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1840161625 VZRBZYWZMPIRMN-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1840293271 PLYJSRYEOAUHFR-LAUBAEHRSA-N 407.511 0.503 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cnnn1)CCO2 1840473986 DWLDUULBGNVRNS-OXJNMPFZSA-N 418.498 0.459 30 20 HCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1F 1840813097 DMXIVWXGJJGOFB-FQEVSTJZSA-N 419.457 0.875 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)CCC1 1840816418 RTZOYSKWWYDHRA-FQEVSTJZSA-N 401.467 0.493 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841648153 VTVZQXMQMPMJQJ-KBPBESRZSA-N 422.482 0.768 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844298983 WPUSBMLXVCOARS-GZAJKUBWSA-N 404.467 0.577 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1[C@@H]3C[C@H](O)[C@H](C3)N1C(=O)OC(C)(C)C)C2 1845960412 AFGRTJPKFBVOHY-JKQORVJESA-N 403.479 0.582 30 20 HCED Cn1c(Sc2nnc(N3CCCC3)n2Cc2ccco2)c(C#N)c(=O)n(C)c1=O 14311855 JEIYZLMTMPEYSR-UHFFFAOYSA-N 413.463 0.940 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 15821201 XALVOPKHGIRNQJ-ZDUSSCGKSA-N 412.464 0.564 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2cc(C#N)ccn2)CC1 29447075 ACHWNDXODZEQOY-AWEZNQCLSA-N 414.491 0.750 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 429622566 XTPZCSPXOUFTGP-UHFFFAOYSA-N 409.447 0.837 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1 433787933 ZTKIFYCVRSQYMA-INIZCTEOSA-N 422.507 0.470 30 20 HCED Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 434951274 PHFFLIYNHJIMSI-INIZCTEOSA-N 409.450 0.826 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 434994898 DWYJCKHPSIPBHC-UHFFFAOYSA-N 423.477 0.896 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1C#N 435533485 IYVHBOSGEFXRJW-UHFFFAOYSA-N 408.480 0.824 30 20 HCED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 441369824 FLCAJKOPKJLQST-INIZCTEOSA-N 417.340 0.868 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)n1 444519804 NHAPALDMLRNCOS-BRWVUGGUSA-N 406.446 1.008 30 20 HCED COCCN(C(=O)CN1CCC[C@]2(CCCCO2)[C@@H]1C#N)[C@H]1CCS(=O)(=O)C1 447915928 NTINNTUACYSZSA-JENIJYKNSA-N 413.540 0.576 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)n2)c(Cl)c1 448390661 UTTLWTKZVAFIBF-HIFRSBDPSA-N 403.826 0.992 30 20 HCED C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](C)N1CC(=O)N[C@@](C)(C#N)C1CC1 448525308 PRHJDZBUYKQLJG-KFVVBQDRSA-N 414.554 0.998 30 20 HCED COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 464014289 XRZZCHSYDTXFDX-ZDUSSCGKSA-N 401.398 1.085 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466108823 SFDMKTVHWULOBV-QGZVFWFLSA-N 415.494 0.512 30 20 HCED C[C@@H]([C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 469503190 KPRGENXZMALUHK-KBPBESRZSA-N 413.521 0.460 30 20 HCED CN(CCCNC(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1)S(C)(=O)=O 471157009 NTZBPBMFOQGZKM-GOSISDBHSA-N 407.540 0.267 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 473871834 HCMQEVYFAKWVSU-UHFFFAOYSA-N 404.242 0.544 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1cnn(CC)c1 474324623 BJCPQXAFSBLUKO-UHFFFAOYSA-N 420.498 0.624 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 479816511 HYIDKQAWRJETFM-WMLDXEAASA-N 420.491 0.075 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc(C(N)=O)c1 481508247 MSIVNTLMFGFPTE-ZDUSSCGKSA-N 400.460 0.683 30 20 HCED Cc1cccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c1C#N 484971083 HRLOQFKGAAJTCQ-UHFFFAOYSA-N 401.444 0.888 30 20 HCED CN(C)c1noc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 485395421 FASQFIOCDROQOW-UHFFFAOYSA-N 418.479 0.473 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cscn2)c1=O 489047656 TZTFHWIQEVENAV-CYBMUJFWSA-N 419.528 0.902 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)c(C)c2)CC1 491260505 VZLODVMGTGCTMA-UHFFFAOYSA-N 402.451 0.167 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2CCN(CC#N)CC2)[C@@H](C)O)cc1 500630211 GXXVTUBHVRVNPI-CRAIPNDOSA-N 408.524 0.375 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CCN(C)C)CC2)cc1 502915878 IVCOYUQIKBDPPQ-UHFFFAOYSA-N 401.511 0.683 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)cc1 507534584 UEZQDWVLRNOKRO-MRXNPFEDSA-N 413.521 0.763 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 509216031 DOVKJQUCBLFCTE-CYBMUJFWSA-N 404.489 0.611 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCCOC1 518094254 HAPOLSTYUZZKJP-QGZVFWFLSA-N 420.535 0.750 30 20 HCED N#C[C@@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 519273091 HQRFMOPHZRSMRE-MRXNPFEDSA-N 420.491 0.051 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)C1=O 523025362 TUVCLWKMSYPFJS-UHFFFAOYSA-N 421.413 0.927 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC)c1OC 525847937 LRPULCTUEOYEHH-UHFFFAOYSA-N 416.438 0.919 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 527030297 SRXSFRKELPKXPO-UHFFFAOYSA-N 414.512 0.837 30 20 HCED C=CCCOCCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 534577516 PUPSSJUOIRQJMC-UHFFFAOYSA-N 409.508 0.862 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 550578297 DHYKKAUGGPVPGP-UHFFFAOYSA-N 422.283 0.667 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2=O)cc1 554259251 GEMMIZDLHMFDLQ-CRAIPNDOSA-N 423.473 0.297 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)OC 556546713 HAGSRZPSLDBELN-CYBMUJFWSA-N 405.798 0.640 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c1=O 576913435 XIEYMXDZABFNKS-UHFFFAOYSA-N 412.402 0.547 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 578091611 DBFCWYBPRZBLGP-HNNXBMFYSA-N 406.508 0.142 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCC)C2(CC)CC)CC1 584745167 IELPJVASGQOKAA-SJORKVTESA-N 408.543 0.533 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CC1 585697653 JKVMWILSPHGSSF-UHFFFAOYSA-N 421.505 0.884 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4F)n3)C2)nc1 590272777 GPMCWBOOBSAWJW-AWEZNQCLSA-N 421.392 1.291 30 20 HCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc12 604169025 PLOMACATQFWIDQ-UHFFFAOYSA-N 404.434 0.831 30 20 HCED CC(C)(CNS(=O)(=O)c1cc(Br)cc(C#N)c1)NS(C)(=O)=O 610657836 GYIFQOXGOLMVNV-UHFFFAOYSA-N 410.315 0.927 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4c(=O)cc[nH]c34)CC2)cc1 619877174 KERAQFUWAZPESA-UHFFFAOYSA-N 412.431 0.041 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1OC 729428262 BNSBNWUXYPVKMG-GUTXKFCHSA-N 421.475 0.420 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(n4cncn4)C3)CC2)cc1 732759138 DUXLKDSHJTWHQQ-UHFFFAOYSA-N 400.464 0.634 30 20 HCED Cc1cccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1C 732909768 GKKLFJATOHQPAB-CVEARBPZSA-N 417.487 0.622 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 734271237 DWNMNIRDHVGHSC-MRXNPFEDSA-N 417.514 0.234 30 20 HCED C#CCSCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 739825829 GTVSGECTDKRIJD-UHFFFAOYSA-N 412.533 0.741 30 20 HCED COc1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1S(=O)(=O)N(C)C 746268691 NRFMWYMPKZBDIH-UHFFFAOYSA-N 407.448 0.995 30 20 HCED COc1ccc(OC)c([C@H](O)CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)c1 746356937 UPWWETOEVHZZCR-OAHLLOKOSA-N 401.423 0.911 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCc2ccccc2OCCN2CCOCC2)cn1 746378787 CHUXZGDKAVWWEH-UHFFFAOYSA-N 412.450 0.373 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 749663648 LGBNGKSGBHGZRA-HNNXBMFYSA-N 417.437 0.874 30 20 HCED CC(C)OCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 755476322 XHCSDPYQWYUNOW-LTGZKZEYSA-N 410.496 0.979 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)C1 758500095 HPXLZZOPQHLLNT-OWCLPIDISA-N 422.530 0.632 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1 761030290 FVRLDJAMJOMXDZ-QGZVFWFLSA-N 408.499 0.715 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 761033368 VWPHPGFBDHBFIW-FQEVSTJZSA-N 422.551 0.594 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](OCCN2CCCC2)C1 762984151 JBAVKIRUOXTZNV-OAHLLOKOSA-N 406.508 0.438 30 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CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1Cc1ccon1 542011332 OBCHNFZQPSEGRF-UHFFFAOYSA-N 417.428 0.165 30 20 HCED CC[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC(=O)N1 544465153 SWCPMODWIXEAPM-CVEARBPZSA-N 404.492 0.696 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)CC1=O 553353819 IDFFGNQPHGMKEH-OALUTQOASA-N 410.522 0.935 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 553768566 UQLLPCXCBHVDQW-YOEHRIQHSA-N 410.492 0.683 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 557377449 LJQBOOZUGYNTMC-SFHVURJKSA-N 405.462 1.511 30 20 HCED Cc1nc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cs1 575166783 UMDVZYRZHJVKBF-UHFFFAOYSA-N 419.532 0.946 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1 589422345 JLBYTBKIWYQUPR-UHFFFAOYSA-N 416.463 1.158 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)c1 603504433 RCGVOXJHDRGAGQ-INIZCTEOSA-N 420.491 0.905 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 615255823 TXLUPOKZHXLQNH-UHFFFAOYSA-N 400.432 0.403 30 20 HCED C#CCNC(=O)CN1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 728566044 AFRBHKMQGNBXBW-UHFFFAOYSA-N 407.389 0.991 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731851364 TULXUCUVXWPPFT-VLGSPTGOSA-N 404.448 0.407 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCOC[C@@H]3C)cc2)CC1 739080191 KUYIMJTXZUWZDV-INIZCTEOSA-N 412.490 0.838 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC 743727169 CGQOYWDTBVKYRK-UHFFFAOYSA-N 403.508 0.192 30 20 HCED CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(CCOC)c2)c1=O 743727501 OQSOXJKVSUBACB-UHFFFAOYSA-N 423.498 0.914 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 744589474 QALCQJCEQLUQIW-SPLOXXLWSA-N 415.446 0.846 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 747739302 YZXUTOUMPVJDRL-UHFFFAOYSA-N 419.503 0.309 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C#N)cs2)c1=O 748645111 MZGZZTMDDWMWBZ-UHFFFAOYSA-N 400.485 0.271 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)ON=C(N)c2ccc(N3CCC(O)CC3)cc2)CC1 749789827 DENXOUHZSMZCBB-HNNXBMFYSA-N 417.510 0.364 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)cc1C#N 752402353 IKQAPRMPAZBOIZ-OAHLLOKOSA-N 400.395 0.648 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)[C@H](C#N)C1 754388325 HMKWGODGBHJPJH-FWHMADFJSA-N 405.455 0.726 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCCNC(=O)c1cccnc1 766989191 WITHHRUFAOUPOL-UHFFFAOYSA-N 402.432 0.977 30 20 HCED C[C@H](CC(=O)N1CCOC2(CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 768381956 GLCYRCWHDKKIQD-CQSZACIVSA-N 407.492 0.912 30 20 HCED C#CCOc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 769463478 OTKUMTIXYSLYIT-GOSISDBHSA-N 405.520 0.120 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@H](C(=O)OC)c2ccccc21)c1cc[nH]n1 772266722 OCPCEPCPBKUILC-ZDUSSCGKSA-N 400.391 0.997 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(CCC)c2)c1=O 774544440 XKOYCCPGJKHQCN-UHFFFAOYSA-N 421.522 0.857 30 20 HCED CC(C)(C)OC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C1CC1 777312447 CARIBHFAJIOYTA-ZIAGYGMSSA-N 413.496 0.646 30 20 HCED COc1cc(C(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OC 787601888 VSPUWIIAKWQGDH-LBPRGKRZSA-N 419.434 0.936 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787757574 FKXMNZVKNXGCEK-OAHLLOKOSA-N 416.482 0.997 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)n1 789794733 JMPKHJPAFYFQIN-UHFFFAOYSA-N 408.462 0.440 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 792115356 UODMNTBICPTDJV-UHFFFAOYSA-N 406.527 0.917 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)Cc1ccncc1 793943338 WXTQNGZEHBCWRE-HNNXBMFYSA-N 402.476 0.620 30 20 HCED COCCOC(=O)c1c(NC(=O)[C@@H](C)n2cnc(C#N)n2)sc(C(N)=O)c1C 798365049 QQMKUOXKNJGVJT-SECBINFHSA-N 406.424 0.622 30 20 HCED C[C@H](C(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1)n1cnc(C#N)n1 798863496 DWDHMVWBEKMYJF-MRVPVSSYSA-N 409.225 0.850 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)nn1 800563480 BPDKQCRPZLUWGH-ZCXUNETKSA-N 410.390 0.909 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 803596001 BHBOPGZCVXHIJC-OAHLLOKOSA-N 419.425 0.591 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1S(N)(=O)=O 807526857 BPSGBKBISIGMJK-UHFFFAOYSA-N 405.407 0.740 30 20 HCED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808027384 ADSXKPVORPZMKG-CHWSQXEVSA-N 419.486 0.238 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 815688493 BXYRVZPQVIYMMY-RCAMIRMHSA-N 420.491 0.135 30 20 HCED C[C@@H]1NC(C(=O)N2CCN(c3cnccc3C#N)CC2)=NN(c2ccccc2)C1=O 816995499 VNRIXVNLNPUBGZ-HNNXBMFYSA-N 403.446 0.940 30 20 HCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc(C2CC2)o1 914885553 UBWUFBWVWXXDAE-UHFFFAOYSA-N 419.419 0.558 30 20 HCED CCc1c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cnc2ncnn12 915394465 SORVHKIFGZRONO-UHFFFAOYSA-N 424.421 0.360 30 20 HCED N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 917040675 KGYKXYDPGNSLQE-INIZCTEOSA-N 418.475 0.188 30 20 HCED C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 920731258 OYDQXDDMPULXKH-UHFFFAOYSA-N 414.455 0.795 30 20 HCED COC(=O)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1Br 1192387094 PQLBWMRQCKMQIN-ZWNOBZJWSA-N 418.269 0.722 30 20 HCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1297823963 PAMMDNSJXXHBSX-GDLZYMKVSA-N 416.507 0.824 30 20 HCED N#Cc1ccccc1S(=O)(=O)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 1317859319 DXFZLRASJVSDDM-UHFFFAOYSA-N 424.438 0.435 30 20 HCED CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCO[C@@H](C#N)C1 1318300423 KTNJQLYOZJXQNH-SWLSCSKDSA-N 413.883 0.624 30 20 HCED CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C#N)C1 1318361769 DQXNHDUUWTWGPK-GJZGRUSLSA-N 413.883 0.624 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1 1445960675 MVJUPGUGKNYPFB-CVEARBPZSA-N 411.505 0.405 30 20 HCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1C[C@H](O)C[C@H]1C(N)=O)CCCC2 1460417121 IHZHBVVBGCEMSB-LBTNJELSSA-N 415.494 0.277 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)O 1509683570 JUZAVKJIUVVHMU-UHFFFAOYSA-N 412.498 0.780 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCCC(=O)Nc1ccccc1C#N 1541066360 XUADBHLEDHXFLP-OAHLLOKOSA-N 420.491 0.429 30 20 HCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1547914967 LQYXMQXRCMRKAT-OXQOHEQNSA-N 417.514 0.195 30 20 HCED CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1554509253 VGQGZPSTWSGUOL-SFHVURJKSA-N 403.512 0.943 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1593885957 OVIFNQMPGHZVNR-KGLIPLIRSA-N 419.935 0.979 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(CNC(=O)C(F)(F)F)C1 1644228729 XWTQQSVSPVVFHZ-UHFFFAOYSA-N 418.397 0.252 30 20 HCED Cc1nnsc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1692948949 YCNLOYYEXCYKFA-XHDPSFHLSA-N 411.488 0.830 30 20 HCED CN(C)C(=O)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768438790 IZHJWXMVSHQKSK-KRWDZBQOSA-N 411.514 0.724 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778846719 PAOIXCQSXWFSCS-LJQANCHMSA-N 406.487 0.132 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1778967891 MUDIYBBJYSFUSG-MGPUTAFESA-N 406.483 0.445 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1778978141 DBYKHCLDILERQS-KUHUBIRLSA-N 406.439 0.940 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018706 CQSZONHVYJSUDA-XWRADEMYSA-N 416.526 0.871 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1779100025 RATWFKOJJHFQNU-MZEVEZHWSA-N 409.468 0.511 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779218649 AGJBWYHRIKFCCP-GPMSIDNRSA-N 406.487 0.545 30 20 HCED COc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1N(C)C 1781128924 WEJGLWSRFLIYAG-OAQYLSRUSA-N 415.446 0.293 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782059562 FSISXRXRIJYISB-UTKZUKDTSA-N 413.478 0.757 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1782210130 GVKXNBJEXAVGAA-MFMILTCTSA-N 421.494 0.810 30 20 HCED COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)C5(C#N)CCC5)CCO4)C3)(C1)C2 1783448166 HFADQRBQAMPXIX-CBNMVNINSA-N 401.463 0.853 30 20 HCED O=C(O)CSCC(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783959512 XYBOGSQRLHQPAN-HXUWFJFHSA-N 424.519 0.333 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1784503437 ZFLURXURYNWHLB-UTKZUKDTSA-N 418.494 0.859 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1784535837 AUNLHOQZAZSWCP-WOYTXXSLSA-N 409.556 0.848 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@](C)(O)CC(=O)O)C[C@@H]21 1784541325 IVDFFNGGOORTOE-SVZGUOJNSA-N 416.540 0.536 30 20 HCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=O)c3ccc[nH]3)[C@H]2C1 1785246220 HZZIPVFEDOUAND-ZOBUZTSGSA-N 401.467 0.418 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)OC)CCO2 1785576744 MIYSKVNNKKUJLC-XFQAVAEZSA-N 423.510 0.768 30 20 HCED COCCOCCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C#N)CC3)[C@H]2C1 1786699683 UGWAUGKOKYAUAU-BZSNNMDCSA-N 423.510 0.340 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nc(C)no3)[C@H]2C1 1787053347 OUHYRPQWDZUZIL-OEAJRASXSA-N 407.471 0.701 30 20 HCED CC(C)CNC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787526865 BDWNVLABSNXEDP-DNYSBMAMSA-N 418.494 0.450 30 20 HCED Cc1nccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)n1 1788601408 GCMMAOMLABBBDO-ZITLTNSUSA-N 414.510 0.850 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1788628423 BGAGHCFGAHAYIJ-FHWLQOOXSA-N 414.506 0.561 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(Cl)n3)[C@H]2C1 1788875381 QJSSVRVREJHLSV-YXWQFLTLSA-N 406.870 0.762 30 20 HCED CC(=O)Nc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cc1O 1790302495 SRVMSEAUKHHTOJ-MPGHIAIKSA-N 400.435 0.858 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1790584944 SBERYGQLWOCTGZ-CAIZAGQASA-N 424.501 0.593 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)C(C)=O)C[C@@H]21)C(F)(F)F 1790882410 AKRSCYGSXDGPEC-MXAVVETBSA-N 405.417 0.951 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3CC(=O)C3)[C@H]2C1 1792163873 UIBLZOFMCPWLGX-QSFXBCCZSA-N 411.458 0.896 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)c1ncc(Br)cn1 1793125293 IUJSDKBWCAOKLJ-JJLQDPRZSA-N 421.295 0.740 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCCCC1=O)C2 1793352985 WIIHPTMHBVYFSO-UPHUGPLXSA-N 407.511 0.571 30 20 HCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1795276121 GPRVHIRUCKJAQC-RMFSNUHRSA-N 418.453 0.661 30 20 HCED CS(=O)(=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795278248 WWKHWQGAHYWXFO-XEMDLRDOSA-N 404.488 0.062 30 20 HCED CC[C@@H](NC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1795725102 NIYMRPNNTYXSAR-SHJAMOMRSA-N 414.506 0.697 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C\C(=O)NC1CC1 1797615746 FJZTZTRXIAJRAN-YAXNIQRTSA-N 406.483 0.212 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cscn1)C2 1797811640 QXZUJUZAJLVXTE-JMWNZZHCSA-N 408.480 0.875 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)c1cc(C)on1)C2 1798397150 YPZFCTHALYPQRN-JYYAWHABSA-N 418.494 0.924 30 20 HCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1799356811 YHJPDMMMDMCPGA-KYHPRHEASA-N 423.510 0.265 30 20 HCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cnccn2)C3)c1 1799744751 BANVWTNXWSXTLF-YVWYUNDQSA-N 409.421 0.933 30 20 HCED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799885588 PBELLPXRWJRQIG-ZKRNXSKHSA-N 424.461 0.162 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC3(CC3)CN1C(=O)OC(C)(C)C)C2 1800450430 ISZMZRTZDSCZLD-DFGXFYAUSA-N 417.506 0.999 30 20 HCED N#Cc1ccc(F)c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1800681944 FMIBKQIGGWXGKV-OQMKEHIESA-N 413.409 0.547 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(=O)OC)(C1)C2 1800702353 YRNREHBHYGRRSO-KYNXIJSSSA-N 408.520 0.839 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3c(F)cc(F)cc3[nH]1)C2 1800778179 FSPQBPQPSBYJHI-JUYAQVABSA-N 417.368 0.737 30 20 HCED Cc1onc(-c2ccncn2)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)S 1800986434 SESQYDBJEVVZMO-JFILPPLUSA-N 417.491 0.962 30 20 HCED N#CCC(=O)N1CC[C@H](CNC(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1804366961 SBMIAFYLLGHEKF-UZLBHIALSA-N 406.446 0.826 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)CC2)C1 1806007906 NKSUTUKFTWWWOL-OXQOHEQNSA-N 408.495 0.872 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)CN3C(=O)CNC3=O)CC2)C1 1806020156 RIQZDAAWCXIAMP-HNNXBMFYSA-N 406.483 0.361 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CS(C)(=O)=O)[C@H]1c1cccnc1 1806768284 HOGZHVRBFQYQBX-SOLBZPMBSA-N 423.535 0.705 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810217817 ZRKGLDLSPJLKHI-XKQJLSEDSA-N 403.508 0.918 30 20 HCED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)CCC#N)sc3C2)c(=O)nc1O 1814507053 VGLBZWNGOLXVBR-NSHDSACASA-N 416.463 0.630 30 20 HCED C=CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814557415 FXHJOERRAYAVDE-KGLIPLIRSA-N 408.524 0.978 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC(=O)NC)n[nH]1 1815139063 WJPGENYPWYPOOM-WBTMPAOCSA-N 402.455 0.396 30 20 HCED C=CCSCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1815656317 OFQGURBOAHAROG-ZDUSSCGKSA-N 423.495 0.864 30 20 HCED NC(=O)c1ccc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)cc1 1822203501 AIVDFFVSCYFJRB-HNNXBMFYSA-N 409.402 0.903 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CNC(=O)C3)sc2C1 1825203550 BSBUOLLKHSJQSM-VXGBXAGGSA-N 420.491 0.701 30 20 HCED C#CCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNCP(=O)(O)O)CC2 1826034379 ABNIUGCBXUJQRB-NSHDSACASA-N 414.424 0.583 30 20 HCED C=CCC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C(O)O)C2)C1 1829349376 IEBDPEUCMJNOLD-NRFANRHFSA-N 417.462 0.325 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1830626445 LQYDTXXEKFLPFY-DTXYYNOZSA-N 421.494 0.562 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1831386164 AHGLMGYQKWRPLR-UZLBHIALSA-N 405.451 0.020 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1831398520 FPLKKNZESVWGLD-BTYIYWSLSA-N 418.446 0.206 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1831406470 QQWRXKUECBRKEN-FQEVSTJZSA-N 404.467 0.529 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@]3(F)Cl)C2)C1 1831434179 SEHLNEDBYADYLY-LTCOOKNTSA-N 404.866 0.958 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1831438331 OJLCMUYHMJUVLV-LAUBAEHRSA-N 418.494 0.457 30 20 HCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833962134 NIOIWQOQWFSCSI-UHFFFAOYSA-N 401.467 0.575 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834473391 VJHHRPLRMJCKQR-QRWLVFNGSA-N 405.426 0.329 30 20 HCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1834942826 TUWODHHWKVFNLS-HXUWFJFHSA-N 420.897 0.843 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335594 MBPSLPGZOFKLGB-DYVFJYSZSA-N 408.417 0.968 30 20 HCED COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)CCC#N)CCO3)n1 1835355065 RKSDIBORBPVETM-OAQYLSRUSA-N 416.478 0.783 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN(C)C)CCO3)C2)c1 1835389487 TZIUTCDMSSTFCL-JOCHJYFZSA-N 414.506 0.888 30 20 HCED COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674685 DVYIDBFLBJVENK-FQEVSTJZSA-N 410.515 0.151 30 20 HCED NC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccc1 1835811573 CTUBMQJEYGLDOF-NFBKMPQASA-N 411.502 0.599 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836027047 YGOHMZKCMLKGGT-KRWDZBQOSA-N 414.409 0.588 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)c4cnc(O)[nH]4)CC3)CC2)c1 1836169547 VGKJMNUJDNSQTK-UHFFFAOYSA-N 411.466 0.814 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c1 1836353113 GVXVTTCRGPVMKG-FQEVSTJZSA-N 410.434 0.369 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c1 1836353114 GVXVTTCRGPVMKG-HXUWFJFHSA-N 410.434 0.369 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1837299721 HZRKRUOSDVPAKI-NJNPRVFISA-N 419.522 0.737 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]ccc3C)C2)C1 1837394639 FWLOTSINIHJESY-KKSFZXQISA-N 405.495 0.966 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncs3)C2)C1 1837394747 IXXUKJYLIGQCAO-DNVCBOLYSA-N 409.508 0.786 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1837395390 YYAVTNMROIMMIZ-OXQOHEQNSA-N 406.483 0.063 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1837397436 WNPMHAOUXJDYGC-LAUBAEHRSA-N 423.485 0.807 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260934 ZZUCDQQESAGUKX-MEDUHNTESA-N 400.888 0.518 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CN)C3)C2)c1 1838581794 QESPNHYGOBZCSB-BTYIYWSLSA-N 416.478 0.232 30 20 HCED CN1CCC[C@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838616634 FUEHGUCIJUQDQE-INIZCTEOSA-N 405.495 0.415 30 20 HCED CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838741906 IBHVTLCLUHHYTO-FQEVSTJZSA-N 403.483 0.297 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839651491 HAIDEHWEEIAHOV-KKSFZXQISA-N 418.494 0.783 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839961180 XFRQBYHVLQZRCM-NZQKXSOJSA-N 414.502 0.850 30 20 HCED Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840040494 NFISHDNAUMTAPL-HXUWFJFHSA-N 404.394 0.292 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)s3)C2)C1 1840041414 LNGYBPUWHOZGDP-QGZVFWFLSA-N 412.851 0.560 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(Cl)c3)C2)C1 1840043302 QSEAOJSVDOZFSB-IBGZPJMESA-N 406.822 0.498 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1840166733 ZECYVVKRUCKDNK-OAQYLSRUSA-N 402.495 0.910 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1840175958 OPUQOPZNBUVILN-XGHQBKJUSA-N 406.479 0.774 30 20 HCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1840467070 JICNQQMZQVHNME-FQEVSTJZSA-N 401.467 0.113 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840494626 KQUDNHUCBVTPHG-KKSFZXQISA-N 419.478 0.377 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840840187 DJORUTOVRCQCSE-NRFANRHFSA-N 411.462 0.301 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840873915 RFFZFVAKLREEEF-NZQKXSOJSA-N 412.486 0.921 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)C1 1843823314 QJDGDQDKGGKZFI-LSDHHAIUSA-N 406.483 0.721 30 20 HCED CC(=O)c1cc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)n[nH]1 1844299537 BTQGIGGNXDNDAQ-MZYRPWKCSA-N 403.439 0.958 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673716 VCJPOUOUQYYYBS-HNNXBMFYSA-N 411.462 0.480 30 20 HCED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1845760212 UUVLYOXWUAPJRI-UHFFFAOYSA-N 417.510 0.927 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1)C2 1845960773 LNUFTRCOGPHLAI-SFHVURJKSA-N 415.515 0.985 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1C#N 1847823045 UHZNKZKSAOKDPW-XIRDDKMYSA-N 419.503 0.820 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)c1ccc[nH]1 1848177310 NCHDTWDWFRDEFH-IRXDYDNUSA-N 414.510 0.618 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN(CC)S(C)(=O)=O)c1 55284875 CFFOCJMBYNEXBQ-UHFFFAOYSA-N 403.526 0.552 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)CC1 303591903 OXRPQRXAQCODOX-OALUTQOASA-N 402.539 0.699 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 409500230 JOUAQMBTHBTMEP-AEFFLSMTSA-N 408.524 0.772 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccccc2Br)CCO1 409512231 SIYIMQKIBIMUTG-VXGBXAGGSA-N 420.285 0.248 30 20 HCED COCCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCOC1 427920114 DDZKYMBHNHDURO-CYBMUJFWSA-N 401.398 1.085 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)c1 434102960 DPNYVTIRIHHZAF-MRXNPFEDSA-N 415.537 0.693 30 20 HCED NS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 439391644 ZNJTVQPNKNGGGX-UHFFFAOYSA-N 412.471 0.699 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)C1=O 440251823 DSKXLGMMLONOQP-MRXNPFEDSA-N 403.435 0.731 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)C1=O 464539584 VYWDEHYLQGOZKG-PMPSAXMXSA-N 410.430 0.236 30 20 HCED COC(=O)CCc1nnc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 472013640 SMNPCLWKPJREGT-UHFFFAOYSA-N 418.483 0.911 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472288041 QQNRFRJKCFQOIL-HNNXBMFYSA-N 408.528 0.311 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472343580 RZPPSCMBHVYQQJ-CQSZACIVSA-N 421.479 0.784 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c1 476749091 USJOJGHNTZLUNV-ZWKOTPCHSA-N 420.473 0.918 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C#N)cs2)c1=O 481978123 BTURACLLXKIYPO-UHFFFAOYSA-N 400.485 0.225 30 20 HCED COc1cc(OC)c(Cn2nccc2NC(=O)NCC(=O)NCC#N)c(OC)c1 482305941 UJKSKMCDDFARTA-UHFFFAOYSA-N 402.411 0.718 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c2=O)c1 488999982 FHFULGFYYZGJDM-HNNXBMFYSA-N 414.483 0.581 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)c1 488999983 FHFULGFYYZGJDM-OAHLLOKOSA-N 414.483 0.581 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccnn2C)c1=O 502007145 FOOAMYLECHCZJT-UHFFFAOYSA-N 411.487 0.712 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 506750588 AVXLIAIEMFEUTP-KBPBESRZSA-N 409.512 0.887 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)ccc2F)c1=O 512743767 ZUJOEAYIZHCMQI-UHFFFAOYSA-N 409.870 0.988 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(C2CC2)c1=O 512789946 CXWBCUUBJXLOBV-LBPRGKRZSA-N 401.492 0.115 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCCO1 515330999 LZGJXAHOBYSHIR-WMZOPIPTSA-N 404.442 0.656 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)o1 527000853 AYXVNWYEWIBROW-UHFFFAOYSA-N 418.479 0.561 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)n(C)c1=O 543856226 DHYFLIYKTIGJNY-UHFFFAOYSA-N 422.380 0.269 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 548289407 PTOIPCUEXKLCIP-HNNXBMFYSA-N 406.467 0.741 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 550253336 KFXQCSLOGVKOJC-UHFFFAOYSA-N 413.459 0.993 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)CC1 550605336 OBAYOWFQMWECTR-UHFFFAOYSA-N 414.554 0.606 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1 551024434 ZXSXQUWBWFRHDB-QGZVFWFLSA-N 401.511 0.074 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)c(C)c1 552334432 KRAKIPINDRDMPJ-UHFFFAOYSA-N 416.507 0.984 30 20 HCED C=CCSCCNC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 552505914 ZPFMIQUKODJZMO-UHFFFAOYSA-N 410.584 0.863 30 20 HCED N#Cc1ncn(CCNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 552673232 YTNHIRGKVZRPIG-INIZCTEOSA-N 402.480 0.508 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(OCCO)c(OC)c2)CC1 557756130 LMGFNGLAPXJUEG-UHFFFAOYSA-N 405.495 0.839 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)C1=O 559781724 QFHDSXZLCUNJHR-MSOLQXFVSA-N 412.490 0.712 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccnc(N3CCOCC3)c2)c1 562072459 QVRGTZUKLFPJBI-UHFFFAOYSA-N 415.475 0.385 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(COCCOC)cc2)c1=O 563766838 RCJDDLPQVCJIJE-UHFFFAOYSA-N 415.515 0.732 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCc1cccc(C(N)=O)c1 569876591 QCIWDAOPVXDKDB-UHFFFAOYSA-N 421.501 0.906 30 20 HCED COC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 571944356 XQQGVZYTKCXHIN-QGZVFWFLSA-N 415.427 0.804 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1=O 575007829 QOOLFZMCTKRHNH-OALUTQOASA-N 414.506 0.421 30 20 HCED C=CCN(Cc1cccs1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 581267606 BMGDZXMZBGPLEL-UHFFFAOYSA-N 417.578 0.758 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 604163926 HHQPLEHOUIIGEY-UHFFFAOYSA-N 422.470 0.911 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(OC)nc1 608884692 RCVPBEWBIOGMCN-UHFFFAOYSA-N 422.466 0.560 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCSC2)s1 610414583 SPKRUJAQIFXGCC-AWEZNQCLSA-N 402.523 0.178 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 610695099 WDXFRHGQMSSHBR-ZDUSSCGKSA-N 400.464 0.655 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3cccn3C)CC2)CC1 611371066 IZOQXROIUJCDTD-IBGZPJMESA-N 400.527 0.475 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 619647441 PKWLLJOGXHOXJY-OLMNPRSZSA-N 408.499 0.700 30 20 HCED CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727751785 WMYJUYGERRTLHW-AWEZNQCLSA-N 424.548 0.789 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCC(=O)NCC#N)c1 731239151 MKKBKTVEQPZTHI-UHFFFAOYSA-N 408.480 0.724 30 20 HCED C[C@@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 733832769 ONGLDRWDIDWGSN-CZUORRHYSA-N 414.418 0.554 30 20 HCED CS(=O)(=O)c1cccc(OCCOC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 741340692 NHURRERCXDVILV-ZCXUNETKSA-N 408.432 0.929 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)C2CCOCC2)c1 742965522 JUIWUUHKHQVQTN-UHFFFAOYSA-N 408.476 0.782 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 746121989 KYSIBJDFGYMNKC-ZCXUNETKSA-N 400.395 0.555 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ccc(Br)o2)c1=O 746706483 YESOWXXZEVBCBG-UHFFFAOYSA-N 411.256 0.989 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 758646129 VMBZZBICICSEIP-SMDDNHRTSA-N 410.452 0.906 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](CC)c2ccc(Cl)cc2)CC1 761023559 IEQCHQVEIVQXAJ-QGZVFWFLSA-N 412.943 0.993 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@](C(=O)OCC)(C(C)C)C2)c1=O 773324487 BZFVXEWHNKXKDI-HXUWFJFHSA-N 406.483 0.412 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C)[C@H]1CCCO1 773800102 UUQLFUFHHHGTTM-GDBMZVCRSA-N 405.476 0.671 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCNC(=O)C(F)(F)F 774975377 XQIAHSVCCJBHGO-SNVBAGLBSA-N 407.370 0.837 30 20 HCED Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C2=O)cc1 776141001 UGEWVFFXCXMAHE-GOSISDBHSA-N 406.464 0.758 30 20 HCED CCOC(=O)c1c(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(C#N)cn1CCOC 776815018 CRCKHGJRMCSSRV-UHFFFAOYSA-N 413.394 0.206 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1CCN(Cc2ccccc2)C1 779781713 FMCDYRDVARDTKF-INIZCTEOSA-N 419.507 0.260 30 20 HCED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)N3CCC4(CC3)OCCO4)C2=O)cc1 779957731 FPTZMNRZJDXNQJ-KRWDZBQOSA-N 420.491 0.727 30 20 HCED CS(=O)(=O)CCOCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 780025503 WJLKEVYSITXGNX-INIZCTEOSA-N 408.480 0.414 30 20 HCED CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1CCN1CCNC(=O)C1 781104070 KMSAKZLSALTRQR-INIZCTEOSA-N 417.535 0.748 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)F)cc2)CC1 784309815 PUTQPZOLULNDKX-UHFFFAOYSA-N 401.435 0.386 30 20 HCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)C1 784556448 KTZXLUGLZPAMND-HOTGVXAUSA-N 419.551 0.832 30 20 HCED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(N)=O 784760567 WRWOCBFKVLGEOK-QQHUYRGFSA-N 423.495 0.064 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 786754777 ZOMQKFVXQXJGDM-UHFFFAOYSA-N 401.448 0.201 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)o1 787825069 NXOSHHCLYDCPGC-UONOGXRCSA-N 403.439 0.338 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)CC2)c1C#N 790043925 VJWQPQTYBMTSOM-ZDUSSCGKSA-N 400.405 0.952 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1=O 798546163 PJCDXLUKPOGGKM-KKSFZXQISA-N 414.462 0.708 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(C)nc4ncnn4c3C)CC2)o1 801436989 YIMIBDHHWZLWJX-UHFFFAOYSA-N 424.421 0.415 30 20 HCED COc1cccc(N2CC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)c1 804118711 YKJKWHQUMFVCKK-INIZCTEOSA-N 408.462 0.885 30 20 HCED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 804749194 ZOPLACDIBHZGHV-UHFFFAOYSA-N 414.466 0.337 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 810774611 LBXAGWHBWHCSFH-YCABEKBOSA-N 403.460 0.259 30 20 HCED COCCn1c(N)c(N(CC(=O)NCCC#N)Cc2ccccc2)c(O)nc1=O 913554382 VNSHQOVLRYFDSP-UHFFFAOYSA-N 400.439 0.214 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)NC)CC2)o1 917431611 SWGPMZUEUZBCFW-GFCCVEGCSA-N 411.436 0.312 30 20 HCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1302438653 IUWFMLNNPTZKFG-SJORKVTESA-N 417.491 0.855 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1309167448 UAHMKAUQQFMEPD-UHFFFAOYSA-N 401.510 0.623 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cn1 1318327175 RZKBBDHDZKFJJN-HNNXBMFYSA-N 402.432 0.723 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1512583205 QLVPORNYSSMDJN-LNMJFAINSA-N 423.539 0.850 30 20 HCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1521110867 SCWVNXWAPRLEEE-OAHLLOKOSA-N 406.512 0.689 30 20 HCED N#Cc1cn(CCC(=O)NCC2(CN3CCOCC3)CCCCC2)c(=O)nc1O 1630918537 OIFMVIGTJJACBR-UHFFFAOYSA-N 403.483 0.610 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)cn1 1682528575 SUUKKHNEKPKTGV-UHFFFAOYSA-N 406.493 0.694 30 20 HCED Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1693394742 NIFSBHZFZKCYPV-TZMCWYRMSA-N 406.516 0.825 30 20 HCED CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nnn(C)n1 1709128242 IUZQYOBPJPVFIR-UHFFFAOYSA-N 406.498 0.996 30 20 HCED CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1710872409 VKGGXLRNJIOTLS-OAHLLOKOSA-N 423.543 0.028 30 20 HCED CC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1722761159 PKUYACGBHCSESD-HOTGVXAUSA-N 401.471 0.216 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1761554619 UNZLCWGJZQHYGU-KGLIPLIRSA-N 406.512 0.794 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257023 GZBUJXVPJPDXJS-OAQYLSRUSA-N 408.543 0.047 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)OC(=O)OCC)CCO2)C1 1778974511 QQVHXJZOIAIVKH-SIFCLUCFSA-N 412.483 0.951 30 20 HCED CN1CCC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779018727 DVCQTLDYMDNAIF-WJOMKEERSA-N 405.543 0.630 30 20 HCED 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HCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1cncn1 1784469039 AAHHLELUVNDANW-HRAATJIYSA-N 408.462 0.783 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cnn(C)c3)C2)C1 1784577268 PYEJRQCODXHYOW-FQEVSTJZSA-N 404.467 0.302 30 20 HCED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1784600446 TWPMFLBAKYOZJN-FCLVOEFKSA-N 412.490 0.857 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1csnn1 1784673102 SSTRNGZDOABGBV-HJAOYLONSA-N 423.495 0.660 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCOC4)C3)C2)c(C#N)c1 1784722482 QIJJDQQGELQYQC-JTSKRJEESA-N 413.474 0.976 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COCC)CCO2)C1 1785574207 BOYKVAOHSHNNAA-IIBYNOLFSA-N 423.510 0.769 30 20 HCED COc1ccc(F)cc1CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791077636 BQWNFJRDWIASJD-OWQGQXMQSA-N 418.421 0.445 30 20 HCED O=C(CCn1cncn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1791522642 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30 20 HCED CCNC(=S)NCC(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1812330825 OUWAHZXICRRIDD-MAUKXSAKSA-N 402.524 0.875 30 20 HCED COc1cccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n1 1812875188 SBSQVWJNHQGUPC-YWZLYKJASA-N 408.414 0.893 30 20 HCED COCc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1812877354 GODRXYVQIXXVBH-UZLBHIALSA-N 410.430 0.964 30 20 HCED C=C1CC(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)[nH]n2)C1 1814392860 WUEPVEMRMDPKCX-AWEZNQCLSA-N 400.439 0.920 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2ncnn2C)[nH]n1 1814436158 IXEOKHNNSDYZNG-DANTVBBOSA-N 412.454 0.703 30 20 HCED N#CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2n[nH]c3c2CS(=O)(=O)C3)n[nH]1 1817682501 NETMFIVVDFHLNU-CYBMUJFWSA-N 417.451 0.781 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1829764460 MMIGWGYJFFOSNS-IZRJCCQOSA-N 414.462 0.010 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)s1 1831212998 JMNGFIBFJQKBHK-IBGZPJMESA-N 404.492 0.259 30 20 HCED 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Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c1 1836304776 KWHTZBWVASPNGU-OAQYLSRUSA-N 424.461 0.677 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3ccnn3)CC2)CC1 1836861395 AQVUXRMGSLCPIT-IAGOWNOFSA-N 417.510 0.876 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cn5cccnc5n4)CCO3)C2)C1 1836883625 RBJWKHNKQSOQRH-NRFANRHFSA-N 411.462 0.766 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1837396697 IVBHOGYGNWXSGK-LIRRHRJNSA-N 424.523 0.368 30 20 HCED CCC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492796 ULXLYAXBASBIMV-OAQYLSRUSA-N 406.479 0.121 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ccn3)CCO2)C1 1837861289 GFUVZKAUGCWHGP-MGPUTAFESA-N 421.881 0.843 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838480963 TZEVHOXTFWYSGH-FQEVSTJZSA-N 401.419 0.294 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838759839 AXBSXEFUEZNYLP-UGSOOPFHSA-N 411.528 0.421 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838819741 VHIOTVANYVUMOD-HTAPYJJXSA-N 419.522 0.977 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccc(OC)c1OC)CCO2 1838841528 AVGHFSMJLCAXFU-FQEVSTJZSA-N 405.451 0.745 30 20 HCED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949565 JAYMQSBUAQVODH-UGKGYDQZSA-N 412.490 0.722 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839085041 UOSIEXMEHUZQSS-FIKGOQFSSA-N 405.495 0.420 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839238447 NHPPJRZAIMBNIK-UTKZUKDTSA-N 420.510 0.617 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1839842205 OFUSTJDYHJZYEZ-JHPRIADQSA-N 400.541 0.814 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1)C(F)(F)F 1839891439 FUDMOWCCNHAJSC-QGZVFWFLSA-N 421.416 0.430 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1840045118 RPOUVQLIOMEYCQ-IBGZPJMESA-N 424.812 0.637 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840160097 WSRPWSULVNXRPB-XIKOKIGWSA-N 405.480 0.346 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840366206 RRYROYMBLMBLBZ-KSMMKXTCSA-N 408.524 0.289 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1840840025 SCCKFIRWDWVQJA-PGRDOPGGSA-N 414.506 0.861 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2 1844252145 JHXIHNZMPWRMFX-HNNXBMFYSA-N 418.570 0.839 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)ccc1F)C2 1844386614 OTJKTCREGGPSFT-QGZVFWFLSA-N 402.426 0.665 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196985 IENYDWFHJVZQNC-SZNDQCEHSA-N 417.462 0.677 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1 1847473555 PLMUTIWPIPWSPP-ULQDDVLXSA-N 402.882 0.486 30 20 HCED O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/C(=O)c2cccs2)N1 1848130882 ZSCZLHVWHIWKSS-ZJCJBVLXSA-N 416.459 0.287 30 20 HCED C#CCNC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 19189608 UHHYNSMEENCLPK-UHFFFAOYSA-N 410.448 0.199 30 20 HCED Cn1c(N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)c(C#N)c(=O)n(C)c1=O 64115091 FYLHXDVQUUNRQA-UHFFFAOYSA-N 413.869 0.579 30 20 HCED C[C@H]1CN(CCC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)C[C@@H](C)O1 409511854 REYQVUSNDHMZOC-JZXOWHBKSA-N 400.545 0.667 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cc(Br)c3c(c2)OCCO3)CCO1 409577254 QVBBTGMBCBCLJM-LLVKDONJSA-N 418.269 0.779 30 20 HCED C=CCN1CC[C@H](N(CCOC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1=O 410419934 FDCDOUAYTNSEFN-INIZCTEOSA-N 413.478 0.819 30 20 HCED C[C@@H]1C(=O)N(C)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 426137777 GDHHJNIGBSLYNC-CQSZACIVSA-N 412.450 0.617 30 20 HCED CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 430273056 CFKPDWDGLKXPRE-GHTZIAJQSA-N 401.486 0.993 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 438742931 YCBGEVIKRLEMKW-UHFFFAOYSA-N 415.494 0.791 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]([C@@H]4CCOC4)C3)n2)cc1 439512211 LDDWHVSGTLICMB-QZTJIDSGSA-N 408.462 1.412 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](CO)[C@H](c3cnn(C)c3)C2)cc1 447322845 BTARQKYGGSLPOB-WMZOPIPTSA-N 411.462 0.509 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CCOC(C)(C)C1 460616666 XPUXEPMMOBHGKR-UHFFFAOYSA-N 411.466 0.613 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)cn1 460617428 ZWAYXZFALPQUJJ-GFCCVEGCSA-N 421.339 0.357 30 20 HCED C=CCOc1ccc(C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1OC 467062167 YHBKZBUUVMOHDJ-UHFFFAOYSA-N 415.450 0.362 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 467503082 OQDWRVZDOLPQKL-LJQANCHMSA-N 420.491 0.601 30 20 HCED CCNC(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 484767493 WKXQFFVUGSFHSM-UHFFFAOYSA-N 407.496 0.394 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 487753252 LPGLPCVHXMAINO-CVEARBPZSA-N 401.529 0.500 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2=O)cc1 500396844 KNLXGNQBOTVROD-GOSISDBHSA-N 417.425 0.657 30 20 HCED Cc1nn2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cnc2c1Cl 500944287 MNFATJWWPXBMRN-UHFFFAOYSA-N 412.903 0.928 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)nn1CCC#N 504866441 ZBPUZZIERWKEST-JWTNVVGKSA-N 413.526 0.813 30 20 HCED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 507489322 XAAAOJRFPDQRAB-NSHDSACASA-N 411.509 0.559 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 507637210 XQHVCLGCLHDJFJ-HZPDHXFCSA-N 404.492 0.672 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 508839104 CETYVQBDDSQMCB-ZFWWWQNUSA-N 410.544 0.817 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)NCC(=O)NCC#N)sc2c1CCCS2 508984215 WSAJOZFEKCNDQA-UHFFFAOYSA-N 410.477 0.658 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 510230031 SJTVPLNUEGLWNV-KBXCAEBGSA-N 422.507 0.886 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 511778400 SQOGVXCDEMVKQH-ZDUSSCGKSA-N 408.455 0.956 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCS(=O)(=O)C1 542082685 HNPLIKCYJATQGG-ZDUSSCGKSA-N 421.866 0.981 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cccnn2)CC1 542335054 MLCUWAOGSYXOPD-UHFFFAOYSA-N 410.434 0.661 30 20 HCED CC(C)Cn1c(=O)nc(O)c2c(C(=O)NCCn3cnc(C#N)n3)cc(C3CC3)nc21 553499413 BCCPOSAAGGPOAT-UHFFFAOYSA-N 422.449 0.924 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 555258861 TWINXXCQTXVSFZ-HZPDHXFCSA-N 412.560 0.623 30 20 HCED C[C@H]1CN(c2cc(N3C[C@@H](CO)O[C@H](C)C3)c(C#N)cc2[N+](=O)[O-])C[C@H](CO)O1 557660806 PEWPKIHKINGQJC-BFJAYTPKSA-N 406.439 0.638 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCO1 558564806 QRCITZQVDNVLTQ-INIZCTEOSA-N 408.480 0.045 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3CCc4ccccc4C3)CC2)c1 559761613 GHJYOZHXCUKWFY-UHFFFAOYSA-N 418.501 0.776 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 559985962 GLFQSEBDCFFQJQ-HNNXBMFYSA-N 407.434 1.395 30 20 HCED Cc1cccc(C(=O)NCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 564378280 JRSGDIJLYPFPOJ-UHFFFAOYSA-N 417.429 0.932 30 20 HCED CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 583169108 LQCRZMDYJWJGIN-INIZCTEOSA-N 422.493 0.968 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)cc1 590549869 RMESDLSMKLQHBI-UHFFFAOYSA-N 403.468 0.599 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2OC)c1=O 603793124 LFEBFHBRRDQMGT-UHFFFAOYSA-N 413.499 0.760 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609990169 GHQLOSGVSIMQDD-QGZVFWFLSA-N 423.495 0.908 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 733149476 HMKWRLFSONXEJJ-UHFFFAOYSA-N 417.579 0.947 30 20 HCED O=C(CNC(=O)c1ccccc1OC(F)F)NCCN/C(O)=C1/N=CC=CC1=O 735116914 UGVXMJXQFUKYAJ-ICFOKQHNSA-N 408.361 0.660 30 20 HCED COCCn1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cn1 743438584 PBVVRXVFXWCFFL-UHFFFAOYSA-N 406.512 0.912 30 20 HCED CN1CCN(C(=O)c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 746158206 SRLMVXSTQJFXIR-VXPUYCOJSA-N 411.462 0.929 30 20 HCED O=C([C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 748741763 AWCYMPVVFFYRDR-CYBMUJFWSA-N 408.505 0.249 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl 748926647 VMPQOCRELZJGFY-UHFFFAOYSA-N 415.855 0.903 30 20 HCED Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 750335241 LKPHZNUGNVAPOP-ZDUSSCGKSA-N 419.463 0.757 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 752029273 CSWUQCZDKXAKAN-KRWDZBQOSA-N 406.527 0.964 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(CC(=O)OCC)s2)c1 752454300 WUSGVUCUVZWOTR-UHFFFAOYSA-N 408.461 0.808 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 761027970 CROPFMGNQZWOFV-LJQANCHMSA-N 406.552 0.975 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CCO2)c1 761725784 NWUKWOYUEKNUIO-QGZVFWFLSA-N 419.463 0.749 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1CCOC 765144918 MCSUTSUYQSTJGB-UHFFFAOYSA-N 405.476 0.325 30 20 HCED C=CCCS(=O)(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 765187786 XPAFRKJBPZPTSW-UHFFFAOYSA-N 402.494 0.689 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC([C@@H](O)C(F)(F)F)CC1 766239870 JLQHPESWEPETGD-CQSZACIVSA-N 405.398 0.887 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 772113340 MNUFENWRFGFSDH-UHFFFAOYSA-N 405.476 0.112 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1)c1cc[nH]n1 772484113 WFFIYQCLFBFYIO-NSHDSACASA-N 405.377 0.789 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](O)C2)c1 774372551 VDFNIAQXLVHYLR-OSGFXRFRSA-N 422.507 0.811 30 20 HCED CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C)c3=O)ccc21 774531533 VNUAYQFYKVHOJU-UHFFFAOYSA-N 408.483 0.137 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CCCO1 775806877 OFOJJHRBWCQHJG-MSOLQXFVSA-N 409.483 0.429 30 20 HCED 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0.738 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835901033 BOYXZEFSFBGRHH-KNQAVFIVSA-N 414.506 0.555 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836172155 IYLUYDNXPAHUQQ-QFBILLFUSA-N 407.471 0.140 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836191536 QHYIIVBGDVQDBG-DYESRHJHSA-N 418.494 0.881 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836421702 AMFXMYZHZSRTKO-INIZCTEOSA-N 404.515 0.441 30 20 HCED CC1=C(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CCO1 1837562164 GCWWNHOJBUISBE-FFCJBUTOSA-N 417.462 0.849 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)CCC1 1837883936 WRAMCYIXENVEBJ-QGZVFWFLSA-N 419.526 0.272 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838346361 QABRRRDYBRSTLD-IBGZPJMESA-N 422.507 0.474 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ncccc3F)CC2)CC1 1838501348 NZNZDXUPLFDCJV-UHFFFAOYSA-N 403.410 0.921 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n(C(F)F)n1 1838715709 CCESWNSDTNOQPM-SJCJKPOMSA-N 418.466 0.975 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738114 QUJMCMNITVWGKB-FQEVSTJZSA-N 412.450 0.610 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)cc1 1838952137 DGCRNOYJBGUSGJ-JOCHJYFZSA-N 413.474 0.933 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(NC(=O)OC(C)(C)C)CC3)C2)C1 1839811707 KIPGLVXVWGFAJJ-IBGZPJMESA-N 407.467 0.133 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839840888 JSWFMBMSANITCN-SCLBCKFNSA-N 407.427 0.600 30 20 HCED CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043309 QXLBJCIWCXFYMS-OAQYLSRUSA-N 400.431 0.407 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncc4F)C3)C2)CCC1 1840813497 CLGXCEBFWSHSAN-FQEVSTJZSA-N 402.426 0.985 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813751 TZRYPXVIYZKBOF-FOIQADDNSA-N 406.483 0.003 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1841745712 ORXSUZSOFOMKBU-AWEZNQCLSA-N 408.499 0.795 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC(=O)NC)C2 1841745714 ORXSUZSOFOMKBU-CQSZACIVSA-N 408.499 0.795 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)c2cc(C)cc(C#N)c2)C3)CC1 1843974622 KWRMYFJVSPBVBW-UHFFFAOYSA-N 423.517 0.848 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)[C@@H]1SC(=N)NC1=O 1844258875 DXZZBDVRPKBWSJ-INHGOHIBSA-N 420.539 0.464 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2nccnc2C(N)=O)C1 1844597049 KGHSLSAHVQQDDB-UHFFFAOYSA-N 420.429 0.343 30 20 HCED Cc1c(C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)cn2[nH]cnc(=O)c12 1844796101 JDXKSVKPASNIEJ-UHFFFAOYSA-N 405.418 0.662 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845229003 XMGBTFUADPOWTP-MRXNPFEDSA-N 405.495 0.879 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823736 KYTPSCLLKNDGLY-AWEZNQCLSA-N 404.423 0.551 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 27771342 ZJDUCMMFYVPJSJ-CQSZACIVSA-N 404.467 0.862 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(CC#N)C3CC3)CC2)c1 109869446 LEIHLVGAIPBXMM-UHFFFAOYSA-N 422.507 0.525 30 20 HCED CC1(C)COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 140156310 KCTYNJHTXSTZSS-UHFFFAOYSA-N 406.508 0.502 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1=O 410115995 DDOQKKAGMUDBID-KRWDZBQOSA-N 421.519 0.875 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 439210508 BKRKBBRFZNYCAW-LSDHHAIUSA-N 407.434 0.656 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)C1=O 440259984 XOZHUKSJEWJZCF-OAHLLOKOSA-N 400.435 0.764 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 443378744 VXSFLCAUAXSDDE-CQSZACIVSA-N 407.414 0.891 30 20 HCED COC(=O)Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Br)c2)n[nH]1 460532283 MKYAEPKJNBGEHO-UHFFFAOYSA-N 400.214 0.955 30 20 HCED CCN(C(=O)Cn1c(C)c(Br)cc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 460955042 ZNWUZBJUVHPIOG-GFCCVEGCSA-N 416.297 0.827 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@H](C(N)=O)C1 464956629 VXRSGKYIYBHHNH-CVEARBPZSA-N 414.514 0.156 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)c1 476449501 ZCOGJQOYAPWNSI-DLBZAZTESA-N 404.492 0.576 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn([C@@H]4CCOC4)nn3)CC2)cc1 477869728 TWHIECVWDDKJFM-OAHLLOKOSA-N 416.463 0.258 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2sccc2OC)c1=O 481583504 XKTJWIRVLPDVIP-GFCCVEGCSA-N 419.528 0.820 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CN3CCC[C@@H](C)C3)CC2)c1C#N 481878465 FCMNUHZMZDFROJ-CVEARBPZSA-N 415.542 0.485 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 484943356 WXCHVKXRTZUIAU-UHFFFAOYSA-N 415.406 0.839 30 20 HCED N#CC1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 490401837 XVVQWXCQMXPLGG-UHFFFAOYSA-N 413.478 0.449 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2ncn(-c3ccccc3)n2)cn1 490931088 GWUBSDCCPRVWQP-UHFFFAOYSA-N 413.401 0.975 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(NC(C)=O)c2)CC1 491074137 GACCWGCTOKRPAJ-UHFFFAOYSA-N 401.467 0.338 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)cc2Cl)CC1 491122193 IMSLWGPWTHCXNY-UHFFFAOYSA-N 421.885 0.683 30 20 HCED C[C@H]1CO[C@@H](CO)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 492378567 ZZWQSKQAHHFTJT-WMLDXEAASA-N 407.492 0.567 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502006151 SPMZHPIQTMQOHN-INIZCTEOSA-N 413.521 0.682 30 20 HCED CCOC(=O)CN1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 506641617 HFDPQSWTYLMEPK-UHFFFAOYSA-N 407.492 0.570 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508657142 OTMDNQLMDXWHFK-QGZVFWFLSA-N 419.507 0.731 30 20 HCED C=CCn1c(-c2cccc(C)n2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508810523 PNTARNGIKKYBGN-UHFFFAOYSA-N 423.481 0.301 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1C(F)(F)F 511454321 NYRLHXPMUBLYLA-LLVKDONJSA-N 405.354 0.445 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1 511946552 JDAHUBFYEIANGV-UHFFFAOYSA-N 407.473 0.900 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(c3ccnn3CCO)CC2)CC1 512432865 IUHXGKFRUWCUAQ-FQEVSTJZSA-N 402.543 0.747 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@H](C)S(=O)(=O)[C@H](C)C2)cc1 514639365 OZZHIUUNSCTBDR-BETUJISGSA-N 408.480 0.967 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3nc4c(cc3C#N)CCC4)CC2)C[C@@H](C)O1 515546225 SJJAVFBMEIBPHB-GASCZTMLSA-N 405.524 0.918 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3c2OCO3)c1=O 515695411 PAERZVLXJUZEIK-UHFFFAOYSA-N 415.471 0.314 30 20 HCED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 516093763 FMGOTJLFFKGNDC-UHFFFAOYSA-N 400.487 0.428 30 20 HCED Cc1sc(NC(=O)CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C#N)c1C 532741229 OKKUJZYAEQMLKS-UHFFFAOYSA-N 419.507 0.178 30 20 HCED COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H](C)C1 539380539 OCFHCFUZLPKMFM-OAHLLOKOSA-N 422.507 0.588 30 20 HCED CNC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 540551757 RWZFNIHGQOUXGP-MJGOQNOKSA-N 401.486 0.993 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cccc1C(N)=O 542075816 MJCMXTIVMKCMEB-LBPRGKRZSA-N 423.433 0.132 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 545296338 LASYGLJHVFOGPW-OAQYLSRUSA-N 421.413 0.876 30 20 HCED CN(CC(C)(C)C#N)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 551847884 OMVZZPIHTXEVOW-KRWDZBQOSA-N 414.462 0.648 30 20 HCED COc1ccc(CCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 553252650 VHYLLIBIEMPVEA-UHFFFAOYSA-N 402.430 0.761 30 20 HCED COCCn1nnc2c1CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 555572820 WYQSGYZBNKMXLF-UHFFFAOYSA-N 406.450 0.979 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NC(C)(CO)CO)c2)c1 575739609 HCWUKPZBLROYOB-UHFFFAOYSA-N 410.426 0.671 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](OCC)C2(CC)CC)CC1 584745164 IELPJVASGQOKAA-DLBZAZTESA-N 408.543 0.533 30 20 HCED 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CCNC(=O)COc1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1OC 52314103 UYFAGEJWNHEJGI-UHFFFAOYSA-N 401.423 0.091 30 20 HCED CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 55336735 LLRRITFLJMMXSG-VIFPVBQESA-N 417.447 0.473 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCS(=O)(=O)CC2)cc1 57496782 MVGZWUWHLVPCNB-UHFFFAOYSA-N 401.510 0.162 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1 301337373 GXRBOCDYDBXYHM-UHFFFAOYSA-N 400.508 0.721 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CCO1 409502032 OGJYYCWGOOAZDG-DGCLKSJQSA-N 418.397 0.869 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCC(=O)Nc2ccc(Br)cc2)CCO1 409560873 HUMLYGQWPPGJBV-ZDUSSCGKSA-N 417.285 0.836 30 20 HCED C[C@H](CN1CCOCC1)N(Cc1ccccc1)S(=O)(=O)N1CCO[C@H](C#N)C1 410144832 YNBYVNCZDLMMTD-IEBWSBKVSA-N 408.524 0.678 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 410323472 NCHBJQUYHATWIH-ZDUSSCGKSA-N 418.479 0.621 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 426933283 RZVUGQMOPVVTQB-RXSFTSLZSA-N 422.445 0.901 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 429372470 MMSNUSHNECZNPL-HZPDHXFCSA-N 410.565 0.823 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 438447528 IDHINAGFRNREFY-BBWFWOEESA-N 401.529 0.804 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 442265901 LIZSROMLBZJWRD-UHFFFAOYSA-N 414.506 0.793 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 446525964 DKPSXVCHXMFSEO-CABCVRRESA-N 409.439 0.831 30 20 HCED C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448497973 WQGBHVMJNRHMCS-UHFFFAOYSA-N 415.469 1.508 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)cn1 460622781 XHNGIOBGPIEDDF-OAHLLOKOSA-N 415.413 0.999 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)c1C#N 461187998 CPJYROUWQLSQIJ-PYTWLRIVSA-N 411.487 0.779 30 20 HCED 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C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 509725645 FYRPDNLTJWOBFF-WDEREUQCSA-N 419.912 0.429 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C[C@@H](C)S1(=O)=O 509825290 KAHJTDSBQBJGMP-UKRRQHHQSA-N 423.491 0.946 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)c1C#N 516122805 ATFCPXBHSMJCAE-UHFFFAOYSA-N 402.480 0.227 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 517826666 GMFNFPCZROLENB-UHFFFAOYSA-N 401.510 0.327 30 20 HCED CN(C)C(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 518137940 WRTGQSWYHHWMOS-UHFFFAOYSA-N 406.508 0.942 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CS(=O)(=O)c3ccccc32)cc1 518627040 KQEFSYCQKDCSCV-HNNXBMFYSA-N 405.457 0.481 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O 518670565 CTDVVIDOGSLBNY-GFCCVEGCSA-N 403.464 0.935 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 537444723 LELTZYHUIGRBBQ-UHFFFAOYSA-N 410.496 0.429 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 541175326 HSVJMFWXESQGRV-AWEZNQCLSA-N 415.885 0.698 30 20 HCED N#CCC1CCN(CC(=O)N2CCN(C(=O)CN3CCC(CC#N)CC3)CC2)CC1 543807668 PDEYUEDJWWGXJL-UHFFFAOYSA-N 414.554 0.909 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 545897160 NXLOCTKCPBEGFV-UHFFFAOYSA-N 418.417 0.589 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)cc1 548712869 HFLDHJIEWWXGMP-UHFFFAOYSA-N 416.419 0.590 30 20 HCED CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 553355472 DMWOLBVFOUSSNF-RTBURBONSA-N 411.506 0.766 30 20 HCED COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cnc1C 555633192 LECCKXFCYFEVHF-UHFFFAOYSA-N 406.424 0.409 30 20 HCED CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 555645967 GPTWIFIVEKVIHN-MSOLQXFVSA-N 423.473 0.787 30 20 HCED COc1c(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cccc1C(N)=O 556327405 VAHMEZYZNNWARO-CYBMUJFWSA-N 409.402 0.679 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCn1cnc(C#N)n1 557653764 YWCJNHYYNIRIRZ-HNNXBMFYSA-N 422.536 0.675 30 20 HCED CC(=O)Nc1ccc(CCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 560765814 OLFITUFCTRXADV-UHFFFAOYSA-N 411.466 0.572 30 20 HCED CSCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 561665460 FUUODQIADKYVIK-DOMZBBRYSA-N 412.537 0.551 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)c1C#N 563730476 HYFFOQCSTGEEDZ-IBGZPJMESA-N 423.521 0.668 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 564587701 NZRMQDFAZADIEO-UHFFFAOYSA-N 420.491 0.922 30 20 HCED Cc1noc([C@@H]2CC[C@H](CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)O2)n1 571338973 JGHBJCDXQMLSTM-HIFRSBDPSA-N 405.436 0.565 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCCn3cc(CO)nn3)cc2)ccn1 574328250 WGBHCCKNEFOCBL-UHFFFAOYSA-N 421.417 0.974 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 579074826 DOOJDVFSXWGKFM-NSHDSACASA-N 404.370 0.666 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccnc2N2CCOCC2)cc1 580248978 XZHXYTKTEZXKBN-UHFFFAOYSA-N 415.475 0.385 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1 582576577 VIMURQLGIKBHFJ-CQSZACIVSA-N 411.459 0.413 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1CCC2(CC1)NC(=O)NC2=O 588278727 CMUXQLGJGFYESJ-UHFFFAOYSA-N 408.422 1.090 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 590423382 SNHLSMPVTDJRPO-GFCCVEGCSA-N 422.486 0.842 30 20 HCED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 603530270 FCLJTOORPUXIQL-UHFFFAOYSA-N 408.462 0.990 30 20 HCED CN(CC(=O)N1CCC[C@H](c2nncn2C)C1)S(=O)(=O)c1ccc(C#N)cc1 603635064 UBKHATWRJZICNN-HNNXBMFYSA-N 402.480 0.713 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1C 727014365 WDMJNRMKUSWFIC-HNNXBMFYSA-N 417.447 0.227 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 731861249 RHLGJCWEMVQOJC-UJLXTZEKSA-N 404.373 0.960 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nnc(S)n3C3CC3)C2)C1=O 732172346 XLOFPGUJLRLWTL-NSHDSACASA-N 418.479 0.585 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c(C)o1 732466203 NBLHNAOIUKNSFI-ZCXUNETKSA-N 415.450 0.890 30 20 HCED C=CCN(CC=C)C(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 734036683 NHQVQDKHFFUFHZ-AWEZNQCLSA-N 421.475 0.431 30 20 HCED C#CCSCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 740076260 VIHIKFQWOGXJSF-GASCZTMLSA-N 404.558 0.034 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(N)(=O)=O 741830933 PPPDRZBOBUYXOL-CYBMUJFWSA-N 417.509 0.362 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)C2CCOCC2)cc1 742965856 WBGSSJBKSXGNBL-UHFFFAOYSA-N 408.476 0.782 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(C(=O)NC)nc2)c1 747303203 CLRZXSFBEDLTCT-UHFFFAOYSA-N 406.442 0.928 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)OCC(C)C)CC3)CC2)o1 749256023 YVDHRRPNFNYNAQ-UHFFFAOYSA-N 418.498 0.914 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 756312250 ZLAJIMOAMHYGJG-QWHCGFSZSA-N 405.459 0.852 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(=NNc3ccc(C(N)=O)nn3)CC2)cc1 756843604 JNEYKMGZNGUKFC-UHFFFAOYSA-N 404.452 0.837 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758051937 ZNXGSWDPYJVQOA-UHFFFAOYSA-N 402.457 0.542 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2cc(OC)ncn2)CC1 764448151 FZJIPDFKOQBIFS-UHFFFAOYSA-N 413.409 0.924 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCCn1cccn1 767682754 XHIKDWLGPGMQQP-CQSZACIVSA-N 419.463 0.171 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)c1 775209936 QAPKUEIWGUSTEC-OAHLLOKOSA-N 407.492 0.308 30 20 HCED C#C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 775346416 JFFPSIYHCGUEKI-MOPGFXCFSA-N 405.520 0.598 30 20 HCED C[S@](=O)CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 775989630 VNUBWHVWIAIIDY-UULLZXFKSA-N 423.608 0.453 30 20 HCED C[C@@H](CC(=O)N1CCN(C(C)(C)CO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 778944035 ILRCEVKQCSSKPZ-AWEZNQCLSA-N 408.524 0.419 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 784924892 VOZAMMLWEPXXRN-UHFFFAOYSA-N 417.487 0.903 30 20 HCED COC(=O)COc1ccc(C=NNc2nc(O)c3cnn(C)c3n2)cc1[N+](=O)[O-] 788715253 DVUVYQFCSYWQFI-UHFFFAOYSA-N 401.339 0.975 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 790871408 SMERENGHHSMFTD-UHFFFAOYSA-N 407.426 0.999 30 20 HCED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)c1ccc(Cl)cc1F 804422797 XPTUBFXHJGUSCF-LBPRGKRZSA-N 413.814 0.940 30 20 HCED C#CCN(C(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)C1CCCC1 806208383 PJMJXAMLFCULJC-UHFFFAOYSA-N 421.519 0.632 30 20 HCED NS(=O)(=O)c1ccc(C=NNC(=S)NCCCN2CCOCC2)cc1Cl 807948630 OEPZUJHWZFPSPE-UHFFFAOYSA-N 419.960 0.508 30 20 HCED CC[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)OC 810484107 NXNHIYYPAQTOJT-IKBYJFNHSA-N 410.496 0.979 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cc2n(n1)CCO2 810558043 CGXBHTSCWSVCPM-UHFFFAOYSA-N 423.385 0.812 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250489 RJVPNUAJIIJALP-GFCCVEGCSA-N 408.430 0.407 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2c(nnc2C(F)F)C1 816451608 OUCRVMASPMFCQD-UHFFFAOYSA-N 410.406 0.687 30 20 HCED CN(C)c1ccc(CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 821043340 GNXZLGWJLUYDJL-UHFFFAOYSA-N 409.490 0.935 30 20 HCED Cn1c(=O)c2ccc(C(=O)OCC(=O)N(CC#N)c3ccccc3)nc2n(C)c1=O 913375771 ZNBVAHCZIPBHKW-UHFFFAOYSA-N 407.386 0.346 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1C 914575447 JYMGLQPINQQKMD-UHFFFAOYSA-N 407.540 0.974 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 916869189 UYNQQYJLPPRJBZ-CQSZACIVSA-N 406.464 0.319 30 20 HCED CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918249854 BCUYZDOCYYIDPJ-PXLXIMEGSA-N 423.495 0.079 30 20 HCED C=CCOc1ccc(CC(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2O)cc1 1024265251 HWKGLBVBARVBEL-GVNFOSLFSA-N 412.486 0.905 30 20 HCED C=CCC1(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1040424525 HBFQRJKQFBPJGK-KPQJVYGTSA-N 404.507 0.862 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc(C#N)c(O)nc1=O 1149034299 BFUZZWWNJBRSLS-OKILXGFUSA-N 403.439 0.821 30 20 HCED N#CC[C@]1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1163163750 YGAJRXNDQMIZNH-LIRRHRJNSA-N 419.459 0.501 30 20 HCED CS(=O)(=O)C1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCC1 1256419011 PIPCIURLJSENGU-OAHLLOKOSA-N 418.475 0.847 30 20 HCED Cn1cc([C@H]2CN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC23CCOCC3)cn1 1298172302 PXHIIXVXKAEEEX-MRXNPFEDSA-N 412.450 0.367 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 1310558702 ZVRFISKFESVOQI-JSGCOSHPSA-N 414.509 0.870 30 20 HCED CNC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1314983644 PXPGJQLIDUOKAU-KRWDZBQOSA-N 406.450 0.815 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 1319998410 QRMJQJWTEZGRBV-HIFRSBDPSA-N 417.491 0.773 30 20 HCED C=CCOC[C@H](NC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OC 1321592098 NXYYSCNWKWXUQP-HIFRSBDPSA-N 413.496 0.840 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 1336559854 QAPGFPJDYUNYHU-UHFFFAOYSA-N 418.400 0.738 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2=O)cc1 1337873978 ONXMCQWXNUJFLY-NVXWUHKLSA-N 424.461 0.826 30 20 HCED CCCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515118272 WIJKSJVHWGUNSS-GOSISDBHSA-N 408.510 0.967 30 20 HCED CCN1CCN(Cc2ccccc2CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1543808873 KPLURLYQIMZKIZ-UHFFFAOYSA-N 424.505 0.665 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)cc1 1555987636 LCLXXCIFQQBQKR-SFHVURJKSA-N 423.521 0.975 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC(=O)NCC(F)F)cc1 1555989858 SKKBKABBZQFAMG-UHFFFAOYSA-N 408.434 0.767 30 20 HCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c(C#N)cc1N(C)C 1625391829 KGOZKVWXACKLTM-UHFFFAOYSA-N 418.483 0.589 30 20 HCED 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CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848161677 AXMKWXAGPNUWHM-GJZGRUSLSA-N 403.443 0.275 30 20 HCED CN1C(=O)C(/C(N)=N\OCc2ccc(S(=O)(=O)N(C)C)o2)=C(N)C12CCCC2 148754503 FSOMNDICBHYEMM-UHFFFAOYSA-N 411.484 0.316 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)NCCc3cccs3)CC2)CCO1 409594330 HTNFTAQYSWUNLY-OAHLLOKOSA-N 412.537 0.588 30 20 HCED Cc1ccc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c(=O)n1C 427846991 JESASMCCPINSFP-UHFFFAOYSA-N 408.393 1.145 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 430392939 KHMGSHYNYCRUFU-NEPXVJNWSA-N 421.517 0.888 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N(C)C[C@H](C)C#N 437404528 AXCZIYHJEBOYNE-CYBMUJFWSA-N 408.480 0.487 30 20 HCED C[C@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 437416810 FVIAKAXBFKLHAT-PBHICJAKSA-N 400.435 0.257 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 440720901 ARKBULRTYJVBRC-UHFFFAOYSA-N 413.883 0.829 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C[C@@H](C)C#N)C3CC3)cn2)C[C@@H](C)O1 441942490 PQVXTWMMXFSRLG-SOUVJXGZSA-N 416.482 0.608 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 442016485 YODQPSKMIAGCQL-QWHCGFSZSA-N 415.475 0.046 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCN(c2ncccn2)CC1 443097732 MBJWNDBIFASBSI-UHFFFAOYSA-N 404.471 0.978 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)n1 446733182 ANCMSGKISPMTBT-UHFFFAOYSA-N 424.461 1.314 30 20 HCED COc1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1OCC(N)=O 471683504 VHSOCGATJUGJOB-UHFFFAOYSA-N 412.450 0.435 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@H](C(C)C)N3CCOCC3)CC2)c1C#N 472107157 ZREILGYPYKNBKI-GOSISDBHSA-N 403.531 0.789 30 20 HCED N#CCN1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 472749194 JPTJDMIFTOYORE-UHFFFAOYSA-N 412.537 0.641 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C(C)C)c1=O 478836986 CZESNJYUEJRPNU-HNNXBMFYSA-N 415.519 0.505 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 480950109 CUPAAVRHSWCVFW-LSDHHAIUSA-N 418.460 0.918 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2c(-c3ncccn3)noc2=O)CC1 485292800 TWNFOCPAFINQHA-INIZCTEOSA-N 405.418 0.702 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(=O)N(CC(F)(F)F)C3)CC2)o1 488172047 QNLSUUHDPRTCEM-UHFFFAOYSA-N 400.361 0.167 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 488909705 BFUJXYBOFDWVQK-OAHLLOKOSA-N 409.487 0.857 30 20 HCED COCCOC[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 491212068 GSCLNEMSQIGWBF-QGZVFWFLSA-N 412.450 0.648 30 20 HCED CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 497897695 ATEOARGLRXKHEH-UHFFFAOYSA-N 406.508 0.658 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(C)C 505690577 SVWJEIWUONQFIX-CQSZACIVSA-N 417.535 0.262 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2c(C)cnn2C)c1=O 505690735 VQBZGKXXETYDOD-UHFFFAOYSA-N 417.535 0.408 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)C2=O)cc1 506869323 YUYFSFACJHNRAZ-FGTMMUONSA-N 406.442 0.727 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cn1 507430930 CSMJBTHNJFVUKK-UHFFFAOYSA-N 405.524 0.956 30 20 HCED CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)n1 509166030 VVLVSENADAPSAU-KGLIPLIRSA-N 400.505 0.763 30 20 HCED COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509198158 SUHJVXNZINUBHT-HNNXBMFYSA-N 409.512 0.730 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC3(CC2)CNC(=O)C3)n1 513193799 HWEPMYFXXSYRTG-UHFFFAOYSA-N 410.409 0.950 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(F)c2)c1=O 522284091 FGVOWPDQIKAWAX-UHFFFAOYSA-N 401.463 0.867 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 537817638 SEDIAPJHPIYZFB-NSHDSACASA-N 402.361 0.935 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)n1 538031809 DXWIJZPJUTZZAE-UHFFFAOYSA-N 401.515 0.688 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 540347157 WIARRPISBFLCFY-SFTDATJTSA-N 404.603 0.779 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 543572162 WLDSDGOKECOTQF-UHFFFAOYSA-N 408.480 0.683 30 20 HCED CN(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(C#N)cc1 544834120 XPOXDNQIYJHHDV-UHFFFAOYSA-N 424.486 0.794 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)c1 552011968 VMXDZLNMBDXKLH-MRXNPFEDSA-N 418.519 0.935 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C 553069429 ZHOLJMNUIFXNNX-VYDXJSESSA-N 406.508 0.547 30 20 HCED CC(C)N=c1[nH]c(=NCCO)[nH]c(=NC2CCC(Oc3ccc(C#N)cn3)CC2)[nH]1 557616519 OPOUCKHLCMKQKN-UHFFFAOYSA-N 412.498 0.431 30 20 HCED CN(CCc1cnccn1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 558056714 JOPPPVLRYJMNKF-GOSISDBHSA-N 406.446 0.266 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(COC)cc(C(=O)OC)c2)C1=O 559864131 SARIWPZGVSJAFX-MRXNPFEDSA-N 403.435 0.803 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cc(C#N)cc(N(C)C)c2)c1 573270981 QANPDMGZRKDBCI-UHFFFAOYSA-N 415.475 0.901 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c[nH]c3cc(F)ccc23)CC1 579980891 RBMKFKITCDCFHA-UHFFFAOYSA-N 415.469 0.412 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCC(CNS(C)(=O)=O)CC1 582992645 HNYAJJQROLUCBO-AWEZNQCLSA-N 401.533 0.954 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CCN1Cc1ccccc1 588107130 YZPCAQUIYZBHKK-MOPGFXCFSA-N 400.479 0.392 30 20 HCED Cn1cccc1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589317794 NXCXMSGNKAZWOI-UHFFFAOYSA-N 415.475 0.160 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2N2CCOCC2)cc1 589332376 DZKCRBOJCCDMRG-UHFFFAOYSA-N 414.487 0.990 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)C2)nc1 589884365 ADYZSPBRUXOSLI-RBUKOAKNSA-N 414.510 0.522 30 20 HCED N#CCCCOc1cccnc1NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 609171410 WBJNORJCAAGNGJ-INIZCTEOSA-N 401.467 0.883 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)NCCO)cc2)c([N+](=O)[O-])c1 610156753 NKHGJFPXNHKNHG-UHFFFAOYSA-N 404.404 0.918 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 610810770 HHURZOTYXVFERB-CZUORRHYSA-N 423.491 0.794 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 610928737 CBEWNRZTVZYMLK-UHFFFAOYSA-N 410.908 0.138 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccccc2N2CCOCC2)C1=O 623213599 JYMPGJUFPXFXHS-UHFFFAOYSA-N 400.435 0.458 30 20 HCED CC(C)(C)N1C[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1=O 681338700 FPGNIDDLXHDIRI-HZPDHXFCSA-N 418.538 0.516 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)s1 731203506 KTJAUTPXFBHKJA-UHFFFAOYSA-N 421.544 0.446 30 20 HCED CC(CS(C)(=O)=O)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 732527416 USZTUYDLBCGCGV-UHFFFAOYSA-N 420.469 0.448 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2CSc2nc[nH]n2)CC1 737843704 YWVLUPWNOTZLJG-UHFFFAOYSA-N 412.519 0.994 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 742072679 RRSYSUMZQCHLLT-VZCCSQPZSA-N 402.426 0.842 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744022946 BNOUPYJQSMCIRT-TZMCWYRMSA-N 406.464 0.365 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cn1 744949454 XNNLSLLVWNEWDB-QGZVFWFLSA-N 403.464 0.782 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCOC1 749856709 JWCBBFPGTJHGNU-AWEZNQCLSA-N 400.504 0.798 30 20 HCED CSCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C)c2)c1=O 751828958 WNTWSWROTLUMLN-UHFFFAOYSA-N 405.549 0.282 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 755491016 BLSAHWZFVFWADI-VDVBZYJVSA-N 408.480 0.491 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCc2cccc(C(=O)OC)c2C#N)c1 756207142 LBKCSWVQKODCFP-UHFFFAOYSA-N 421.431 0.955 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([C@@H]3C[C@H]3C)o2)c1=O 758069241 OBKHLDRRYDHVQB-UKRRQHHQSA-N 411.483 0.525 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C#N)s2)c1=O 758070629 VZWLQIFJEBGAKD-UHFFFAOYSA-N 412.496 0.132 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccsc2)c1=O 758091649 WIIRQHDUZCHPFI-UHFFFAOYSA-N 401.538 0.683 30 20 HCED CCS(=O)(=O)c1cccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 760571208 HTNRCQKNQHGIDE-FOCLMDBBSA-N 413.477 0.285 30 20 HCED C=CCn1c(Cc2noc(CCCN(C)C(=O)OC)n2)nnc1N1CCOCC1 761775132 BTMLQRUQKRTHOW-UHFFFAOYSA-N 405.459 0.905 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)nn1 762703139 CFCBDUUXDOBETM-CQSZACIVSA-N 412.406 0.769 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc(Cl)c(N)c3)CC2)o1 767105930 DNNZTTODPIEWQZ-UHFFFAOYSA-N 404.814 0.991 30 20 HCED C#C[C@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)c(S(=O)(=O)N[C@H](C)C#C)c2)c1 770364115 IKFDPPAABGTWDV-LSDHHAIUSA-N 420.516 0.781 30 20 HCED Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1Br 771891288 LOAFYUCKEZSMPG-UHFFFAOYSA-N 415.269 0.467 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1noc(C(C)C)n1)c1cc[nH]n1 772538948 TXGDZOFAEJVKBD-CYBMUJFWSA-N 420.426 0.800 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CCCC#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 776121118 DTMJXRBJXHFVLI-RWMBFGLXSA-N 401.510 0.643 30 20 HCED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)CC(C)(C)C#N)CC1 776138095 DXUYBECVHREOQK-UHFFFAOYSA-N 403.501 0.320 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)c1 778758707 RINZLUDGWUWGGN-UHFFFAOYSA-N 402.476 0.650 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(/C=C/C(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 783478921 GWFZZCWDCZCIOG-JEJOPICUSA-N 418.471 0.850 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cccn2)c(F)c1)[C@H]1CCS(=O)(=O)C1 783480345 PYFJIPDDJWZXQD-AWEZNQCLSA-N 404.423 0.599 30 20 HCED N#CC1(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)nc2)CCC1 784194085 FJZNWBBNUDDKRW-UHFFFAOYSA-N 400.844 0.509 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C[C@H](C)O1 785865134 HLUFUEGSIOSLQO-GJZGRUSLSA-N 402.499 0.485 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 787507564 IAKHTWCFUNRPPA-UHFFFAOYSA-N 416.415 0.923 30 20 HCED COc1c(F)cc(CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1S(N)(=O)=O 787640656 FMCISAZDLMHVEI-SNVBAGLBSA-N 413.427 0.518 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C#N)CCC1 787746724 HQGHSUKJTIWQEN-OLZOCXBDSA-N 404.448 0.719 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 788616078 WCEBAVHVMXZSFB-AAEUAGOBSA-N 421.479 0.030 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccsc2Cl)c1=O 790429171 OAHKFTQTPQRDCA-UHFFFAOYSA-N 421.931 0.914 30 20 HCED COCCN1C[C@H](C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1=O 790869718 VKVDVMHALRJJCD-LLVKDONJSA-N 419.381 0.877 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796275135 XYZLJHIHPTYFAX-UHFFFAOYSA-N 424.416 0.988 30 20 HCED C#CCNc1nc(N[C@H]2CCN(C(=O)CC)C2)nc(N[C@@H]2CCN(C(=O)CC)C2)n1 804555517 QPMFAIZVCOBTKL-GASCZTMLSA-N 414.514 0.762 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OC 805085412 IRCACCJWWYYODH-JTQLQIEISA-N 413.420 0.705 30 20 HCED N#Cc1ncn(CCNC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)n1 805107941 YYJWHXZEJUJSKS-UHFFFAOYSA-N 409.394 0.011 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1)[C@H]1CCCO1 809305520 FCOGMONDSVQVBE-WOJBJXKFSA-N 415.490 0.515 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2OC)cc1 811335614 LCASTURHMACRHM-UHFFFAOYSA-N 423.472 0.506 30 20 HCED N#CCSc1ccccc1NC(=O)COC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 815263641 MDVOSYYVECADRH-LBPRGKRZSA-N 412.493 0.699 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c1 914979447 OJXTUFFCLPIVRF-UHFFFAOYSA-N 419.415 0.968 30 20 HCED Cn1c(C=Nn2cnc3sc4c(c3c2=O)CCCC4)nc2c1c(O)nc(=O)n2C 920359261 WIPYGMKJERNRLN-UHFFFAOYSA-N 411.447 0.905 30 20 HCED CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1117689002 JRAANCURFMQTBO-KBPBESRZSA-N 416.511 0.577 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1252391974 VFMLFBBZIPZNEP-ISLYRVAYSA-N 410.434 0.989 30 20 HCED CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1297787303 JJAZGIKGFFYVGI-KRWDZBQOSA-N 418.523 0.731 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1302088390 AFPKSDJFXGBWES-DNVCBOLYSA-N 422.555 0.302 30 20 HCED Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1CCO[C@@H]1CCCCO1 1319522064 YXGZAYOOVKPMKT-QTIQAUKSSA-N 417.466 0.991 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCN3C(=O)COc4ccccc43)CC2)c1C#N 1320664444 JLXVURBNVMTIHD-UHFFFAOYSA-N 423.477 0.857 30 20 HCED CC1(C#N)CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1460043294 SVSAHEJEHDBIOO-UHFFFAOYSA-N 402.520 0.854 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)COc1cccc(Br)c1C#N 1461480126 UYWOUSRAIKUZAV-WCQYABFASA-N 403.254 0.628 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cc1 1556868744 KDTJGHHQZNELCJ-ZDUSSCGKSA-N 404.414 0.979 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1628508373 PXTKKYIWJLTPFQ-GZBFAFLISA-N 405.838 0.947 30 20 HCED Cn1c(N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c(C#N)c(=O)n(C)c1=O 1655591575 SCABNXDCDFKYJJ-NSHDSACASA-N 407.352 0.697 30 20 HCED 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C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)N(C(=O)OC(C)(C)C)C1 1846449325 QVJVTNIZNJVXLU-GJZGRUSLSA-N 407.515 0.041 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)c1ncn3nc(N4CCOCC4)ccc13)C2 1846995954 XBJYNKHLFCDKRL-UHFFFAOYSA-N 422.489 0.796 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C1CC(O)C1)C2 1847070780 XEBAPOBFEVZTGU-GPANFISMSA-N 405.495 0.877 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(N)s2)CC1 36750767 VJYYYKMIZNGJLK-UHFFFAOYSA-N 424.533 0.617 30 20 HCED CCO[C@@H](C)c1nc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cs1 301450902 FUIKJRGKWUSVMS-ZDUSSCGKSA-N 418.523 0.832 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](C(N)=O)c1cccc(Br)c1 409579660 HBBNDIUQHMYKTD-ZDUSSCGKSA-N 419.301 0.672 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 434763407 FFDYDUBAZHQETG-UHFFFAOYSA-N 400.483 0.476 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OC 435140512 UCWPSWKRAWODEL-LBPRGKRZSA-N 405.363 0.722 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCO[C@@H]2C)cc1 435206876 OIOMQZSJPPSXKU-FZKQIMNGSA-N 411.480 0.088 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@H](C)C(=O)NC(C)(C)C 442208431 MJQKGXALDFKZEM-CYBMUJFWSA-N 411.466 1.148 30 20 HCED Cc1nc(=NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n(-c2ccc(C#N)cc2)[nH]1 443406179 DJRMYDSXVBUBRE-UHFFFAOYSA-N 422.426 0.896 30 20 HCED CN(CC(=O)N1CC[C@H](OCCN2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 443868230 MCCWNTSZGCGPBP-SFHVURJKSA-N 420.535 0.892 30 20 HCED C=CCNC(=O)Cc1noc(CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)n1 445334630 PKLCNZJXUDZGSS-UHFFFAOYSA-N 419.507 0.875 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447151355 VAQGENVGZAHBLI-UHFFFAOYSA-N 405.842 0.347 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCNS(=O)(=O)c1cccs1 464192511 FHJRGMIJSNFPBH-UHFFFAOYSA-N 401.491 0.885 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)C1=O 466499478 LSDODKLOASIQGW-OAHLLOKOSA-N 408.476 0.867 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 471619056 MKWVNJVFESBXHI-BETUJISGSA-N 410.456 0.337 30 20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481244914 FFTPWSQGVRLBSH-BBRMVZONSA-N 424.548 0.993 30 20 HCED C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCS(=O)(=O)C1 481282020 XIUMGHQTCSZDCV-UKRRQHHQSA-N 407.492 0.771 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(C)=O)s1 497775194 YJRBQDGDPYWQLJ-ZDUSSCGKSA-N 406.551 0.791 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 498687151 SLYYUAWBWISDAC-UONOGXRCSA-N 404.492 0.928 30 20 HCED CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 500495307 IBBMONLWNBBKCZ-OAHLLOKOSA-N 407.496 0.474 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)CCCOC)cc2)C1=O 504184822 NKVCAVBZMRGBSA-UHFFFAOYSA-N 423.447 0.412 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 506235514 NWASZTMLSIPDHU-UHFFFAOYSA-N 407.540 0.625 30 20 HCED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 508055629 WBSNGWJELZAEAQ-UHFFFAOYSA-N 420.473 0.320 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 509425326 MOBAJPMSCIPQGU-CQSZACIVSA-N 400.526 0.908 30 20 HCED CN(CC(=O)N1CCC(Cn2ccnn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 510926922 DHZZPXUWACDXJU-UHFFFAOYSA-N 402.480 0.709 30 20 HCED CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCO[C@H](C#N)C1 518401267 ZDKYJNLXPJBEEI-GOSISDBHSA-N 409.494 0.985 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccn4)c3)CC2)c1 530779526 ZLQNUHZLAMIOBP-UHFFFAOYSA-N 402.418 0.821 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n(CCC#N)n1 533004544 LXFMZOILBMMWRN-UHFFFAOYSA-N 423.477 0.509 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC 537489858 OWRAHFPZXBSVMS-UHFFFAOYSA-N 401.423 0.306 30 20 HCED CC(=O)NC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 538352884 RPGZIWFFBVZERS-WOJBJXKFSA-N 417.485 0.371 30 20 HCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2=O 540456417 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CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c1 576748389 XWXSIBIXCMIUFS-UHFFFAOYSA-N 423.429 0.298 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 581694485 SZWDIKOWPKTWAN-AWEZNQCLSA-N 411.480 0.008 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](O)Cc2ccccc2)c1 583791850 WDMBBZAQYLVAJO-ZWKOTPCHSA-N 418.471 0.938 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCOC3CCCC3)CC2)c1C#N 586845831 MHJLXXKJHMIUKP-UHFFFAOYSA-N 402.499 0.714 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C 588153790 REWGXAYDNCFFMP-GFCCVEGCSA-N 404.513 0.969 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)cc1 609077503 UOSXMJMDOMRIQN-UHFFFAOYSA-N 403.402 0.624 30 20 HCED CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 610126664 MAIPDIMBGHIAKV-HOCLYGCPSA-N 413.521 0.964 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)n1 610700712 DZHQMEYVJZOWCD-GFCCVEGCSA-N 411.422 0.436 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 610807108 JPSSIAIVTHRXRX-RDJZCZTQSA-N 419.551 0.510 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1Cl 619767477 DOQFIILMEBJACD-UHFFFAOYSA-N 405.886 0.898 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669804278 ITYYKEPLCURWHM-ZDUSSCGKSA-N 405.484 0.629 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)OCC(C)C)CC2)c1=O 725774790 OFPDMQAEFWYFFC-UHFFFAOYSA-N 421.498 0.302 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cscn2)CC1 728336847 GBGMFMJESVURTN-UHFFFAOYSA-N 420.472 0.705 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1CCC(=O)NC1=O 733563276 YTKLYAKOSOCJSF-UHFFFAOYSA-N 419.438 0.437 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(SC)cc1OC 741237548 DJNXKQJKTOZCEG-UHFFFAOYSA-N 416.484 0.161 30 20 HCED COC(=O)c1cc(Cl)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 742295247 XQYCOXRJKPPHDA-PFONDFGASA-N 413.839 0.931 30 20 HCED COc1cccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1OC 742641563 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C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)NC2CCCCC2)CC1 729256701 DUPKUKADIWBQOF-UHFFFAOYSA-N 405.543 0.682 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 737531143 DJQHDLXMFIIKQW-UHFFFAOYSA-N 419.441 0.315 30 20 HCED CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCOC[C@@H]2C#N)c1 742320808 NPWXVQMJGZBFQG-VIFPVBQESA-N 409.283 0.766 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 744873149 BMXYTQJNAAEUOU-GFCCVEGCSA-N 414.505 0.436 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1 747276402 ARMGBRMFMNPADT-UHFFFAOYSA-N 416.503 0.929 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cnn(CC#N)c2)cc1 747430275 LYGOFBSHQNSFDT-UHFFFAOYSA-N 421.479 0.942 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1OC 747865294 IYFWROMLEVBBJB-CQSZACIVSA-N 423.429 0.953 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)n2)cc1 749651799 ZELSDAPDYXBJKY-IRXDYDNUSA-N 409.450 0.116 30 20 HCED CN(CC(=O)NS(=O)(=O)Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1 750413235 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0.516 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)CCCC#N)cc1S(=O)(=O)N1CCCC1 776123010 VORFLIIAJSYEMD-UHFFFAOYSA-N 415.493 0.843 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2CCNC(=O)C2)cc1 781401077 OTQBFHLBHPUXSQ-JWGURIENSA-N 422.511 0.053 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NC2(C#N)CCC2)[C@H](C)O)cc1C 784186047 JNTKUZQXQSMVGO-WMLDXEAASA-N 423.491 0.437 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1N1CCNC1=O 787473334 KXBFQDVHYLXPPH-UHFFFAOYSA-N 407.434 0.958 30 20 HCED C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)NC1(C#N)CCC1 787649147 ARPZCXXLAIOUFY-JLJPHGGASA-N 417.437 0.824 30 20 HCED Cc1c(Br)c(C)n(NC(=O)Cn2nc3ccccn3c2=O)c(=O)c1C#N 791172481 CIXBUAGRHPCJBV-UHFFFAOYSA-N 417.223 0.679 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCNc1ccc(C#N)cn1 793007714 IYIOKFJCYQODND-GOSISDBHSA-N 400.439 0.097 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 800660052 HBVIWXNVYDYWOO-WCQYABFASA-N 412.443 0.501 30 20 HCED COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 802527117 UMHISCOQOQQSAY-UHFFFAOYSA-N 410.482 0.754 30 20 HCED C=CCOC[C@H]1NC(=O)N(c2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1=O 804205857 VXFLRXHEXWURSJ-QGZVFWFLSA-N 402.451 0.609 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 810475303 JAYKDUSRYRDNSC-CQSZACIVSA-N 423.495 0.257 30 20 HCED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1OC(F)F 814883119 ATXDABGUWASYNG-UHFFFAOYSA-N 416.406 0.778 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCn2ncn(C)c2=O)cc1 815041640 LHKUTPHRWCGPTO-HKWRFOASSA-N 406.468 0.423 30 20 HCED COc1ccc(Cl)cc1C#CCOC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 815179399 QMDWVSDWVWYRIG-UHFFFAOYSA-N 416.821 0.691 30 20 HCED COc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1C 815512143 JRMYHQMMRDSOOR-WUKNDPDISA-N 402.407 0.593 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 815860345 HRTIVGJUIOIUJN-UHFFFAOYSA-N 405.886 0.286 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](O)CC2)c1 815886766 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462631366 MSYMTGBQHLJOPH-UHFFFAOYSA-N 423.451 0.074 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCc3cn4c(n3)SCC4)CC2)c1C#N 472055212 NWUQSCOROMPTGC-UHFFFAOYSA-N 400.512 0.977 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCOC[C@@H]2C#N)c1 472246420 HKCBLJXCBBUXJX-HNNXBMFYSA-N 408.480 0.198 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C 477157812 HAGCGJBHXWQRML-UHFFFAOYSA-N 420.422 0.150 30 20 HCED N#Cc1cc(Cl)ccc1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 480734353 VWEJGNSYNKUOAG-KRWDZBQOSA-N 410.927 0.633 30 20 HCED CCOC(=O)c1c(NC(=O)NCC2(O)CCN(C)CC2)c(C#N)cn1CCOC 481496233 UXHDTRGTYHNFRP-UHFFFAOYSA-N 407.471 0.761 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 483919432 SZPBRTYPWVNADV-GOSISDBHSA-N 407.478 0.705 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 486811071 TYCXDAOTZAABAS-HXPMCKFVSA-N 413.459 0.087 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 489222956 SWXLJFKLWZNZKR-AWEZNQCLSA-N 412.487 0.545 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 509235968 FTRIDENACAZDSG-VYDXJSESSA-N 400.524 0.991 30 20 HCED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 512709073 XTGUEQIHNFBYON-OAHLLOKOSA-N 407.496 0.602 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCN1Cc1ccccc1 513061825 AXBRAVPUPONSHD-IBGZPJMESA-N 416.445 0.837 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)NCc2ccc(C#N)cc2)C1 522418181 IZGWLRZNWIBQIO-GOSISDBHSA-N 400.479 0.908 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 542076328 RSCNYYIHXHHBCD-AWEZNQCLSA-N 414.397 0.185 30 20 HCED COCCN(C(=O)CN1CCC(CC#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 543808665 UXLJAQGJLALVNO-UHFFFAOYSA-N 420.514 0.792 30 20 HCED CN(CC(=O)N1CCN(c2ncc(F)cn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 544713015 DGFTVOKPHFVJEI-UHFFFAOYSA-N 418.454 0.457 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 550501778 WYIHVPPKAZRXTB-FQEVSTJZSA-N 419.485 0.899 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 552504249 PEDFOBNBUMRHNE-DLBZAZTESA-N 410.584 0.861 30 20 HCED COCCCOCCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 554692865 ZOBDGTUBIYVEOA-GOSISDBHSA-N 416.478 0.681 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)Nc3cnn(CC(=O)NCCO)c3)C2)c(F)c1 557611072 KGXHMKPNZABNEO-AWEZNQCLSA-N 400.414 0.467 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O 557913330 MYCOHKFBQXZESM-HOCLYGCPSA-N 418.881 0.807 30 20 HCED Cc1ncc2c(n1)CCN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 561708248 YQYNLMKMZIOBAS-LJQANCHMSA-N 418.457 0.459 30 20 HCED CN1CCC[C@H](CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561710908 SYXRGDJRSPGVLU-OALUTQOASA-N 411.506 0.576 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCCO[C@@H]3CCOC3)CC2)cc1 564078173 FWLYDJZXDYIKDT-HXUWFJFHSA-N 414.506 0.904 30 20 HCED CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCN(S(C)(=O)=O)C1 565437772 ANUWUMQBKXFUNZ-HNNXBMFYSA-N 413.521 0.870 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1=O 570360851 ASVAUMIVDOTPCZ-HZPDHXFCSA-N 418.881 0.807 30 20 HCED CN(CCCN1CCCC1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572876868 BQIFFVZICNVQRY-IBGZPJMESA-N 411.506 0.720 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3F)CC2)CC1 577380696 IIFHUTGQNDXGLB-UHFFFAOYSA-N 420.460 0.559 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N(C)CCOCc2ccc(C#N)cc2)cn1C 580137377 VJEZJFHEPROAJK-UHFFFAOYSA-N 405.480 0.554 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 582091116 BNAHFROCLYFSHK-UHFFFAOYSA-N 403.531 0.737 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc1 590666237 GQPNVNAGLXSUAT-KRWDZBQOSA-N 422.507 0.559 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)c1 603478677 AZSDYKITWIMOMQ-HNNXBMFYSA-N 401.510 0.305 30 20 HCED COC(=O)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728540165 UYGLHDZLCGDZDK-HNNXBMFYSA-N 423.491 0.686 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2[nH]c(C)c(C(=O)OCCOC)c2C)CC1 729256650 DGFBXFGMZPIVFM-UHFFFAOYSA-N 418.494 0.332 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 730657557 NOTSWZJJABHJKV-MLZJXEJWSA-N 400.439 0.934 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)cn3)C2=O)cc1 730896165 YIKBNDVFXLPENS-HXUWFJFHSA-N 423.385 0.617 30 20 HCED C=CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCS(=O)(=O)C1 731214650 VTDUFUKZLSLGEE-GOSISDBHSA-N 422.507 0.919 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 731686774 PGDVDIJNJHYAIM-UHFFFAOYSA-N 420.539 0.294 30 20 HCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 731862297 CBXPSFFCCRDSDG-XDPYMOANSA-N 403.439 0.130 30 20 HCED CNC(=O)CNC(=S)NN=Cc1cc(Br)ccc1OCC(=O)O 731927165 PGECFHCCTJATIZ-UHFFFAOYSA-N 403.258 0.457 30 20 HCED C[C@H](NC(=O)OCc1ccccc1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910310 OHXXGXOCWQADKA-DZGCQCFKSA-N 407.448 0.267 30 20 HCED O=c1nc(C=NO)ccn1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 736302557 MSFQXXMFBWSHOT-UHFFFAOYSA-N 408.436 0.151 30 20 HCED COC(=O)Cn1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 742566172 LBAOAPMHVGQTMV-LLVKDONJSA-N 405.436 0.512 30 20 HCED C#CCCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 742788231 GQAAVQYWSCGIOR-GSPCDJLXSA-N 412.533 0.910 30 20 HCED COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(C#N)cc1 745590155 XDNRPXPNNYKIKU-KRWDZBQOSA-N 416.411 0.888 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 747854426 KQJVIQIYSVNDLZ-UHFFFAOYSA-N 406.508 0.608 30 20 HCED COC[C@](C)(CC(=O)OC)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 749430901 YYOQQLMSSVNWHN-SGTLLEGYSA-N 411.480 0.588 30 20 HCED Cn1cnnc1-c1cncc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 754106070 QNEYOPIUBUQEAK-UHFFFAOYSA-N 411.447 0.944 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 756312249 ZLAJIMOAMHYGJG-OLZOCXBDSA-N 405.459 0.852 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)c1 756459082 LRBPGNUYHFCHKD-UHFFFAOYSA-N 402.392 0.363 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)s2)c1=O 758052171 BTGSDSHVIPZHHC-GFCCVEGCSA-N 401.513 0.567 30 20 HCED C=C(Cl)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760349608 KRPNYPZNWGYIRJ-GFCCVEGCSA-N 417.871 0.239 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)CC1 760556610 TYXPOCUHXBNAQL-UHFFFAOYSA-N 402.469 0.379 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc12 766500762 GSEONTZGSPUDJN-WUKNDPDISA-N 417.403 0.948 30 20 HCED C[C@H](C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767354187 SDEVIDXQBMQHFN-MDQLUDAQSA-N 423.425 0.758 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nc(O)c2cnn(C)c2n1 767625845 DSXGOXCZYDGCLS-SNVBAGLBSA-N 416.419 0.351 30 20 HCED NC(=O)c1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)on1 769196241 FCLBBHUJQQWRLA-UHFFFAOYSA-N 419.463 0.689 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)cc1 772805349 SPEFRMXXGQCAQM-DOTOQJQBSA-N 410.492 0.084 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H]2CCCOC2)c1 781374346 FRVUVRDZBWMYKY-RDJZCZTQSA-N 408.476 0.686 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(C)o1)[C@H]1CCS(=O)(=O)C1 783482067 UFBYWTPKTKPHAA-AWEZNQCLSA-N 404.448 0.420 30 20 HCED CS(=O)(=O)Nc1cccc(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 783530434 WJKYHSFMIZRPPP-UHFFFAOYSA-N 401.404 0.964 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN([C@H]2CCCC[C@@H]2O)CC1 787780253 ZWOKQFPHEOAAFR-ROUUACIJSA-N 414.510 0.365 30 20 HCED C#CCn1ccc(CN(CC)S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 788696433 QIHVJNBJVAKQTG-UHFFFAOYSA-N 410.521 0.977 30 20 HCED COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802485674 NKOVIMQZPOESDS-UHFFFAOYSA-N 415.502 0.303 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)CC1 804891393 MSEFVAFDZJESHW-INIZCTEOSA-N 403.479 0.846 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 806760732 TYHRQLFFPSOQSO-CQSZACIVSA-N 416.482 0.631 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 810782127 XVTFPZCGBHSQQL-VIFPVBQESA-N 413.249 0.903 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(OC(=O)N(C)C)CC1 818654561 HWLFYANLLFCOBH-ZDUSSCGKSA-N 408.480 0.914 30 20 HCED Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 821635649 KVOUJJGZPAGQEH-UHFFFAOYSA-N 418.417 0.438 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)cc1 893948955 IYSYHVWRPFOMFD-UHFFFAOYSA-N 408.461 0.466 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)c(OC)c(C(=O)O)c1 917930578 JWDZZVLHRQXEBY-NSHDSACASA-N 419.477 0.766 30 20 HCED Cc1nc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N 1115840739 QABVDFZCHMLATH-CVEARBPZSA-N 421.475 0.613 30 20 HCED N#CC[C@]1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1222261112 WEUXVTDHSWJMGO-SFHVURJKSA-N 408.480 0.268 30 20 HCED N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCN2CCCO)cc1 1302989529 NSLPPODPXGDVEX-GOSISDBHSA-N 409.494 0.600 30 20 HCED Cn1cc(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 1312481678 PXBHOEZIQXJQAV-MRXNPFEDSA-N 402.480 0.792 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NCCN3CCC4(C3)OCCO4)CC2)nc1 1313326526 UOHAXRMCTZFHFR-UHFFFAOYSA-N 400.483 0.670 30 20 HCED N#CC1(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CCOCC1 1324020638 BGXHEETUPRIAAA-UHFFFAOYSA-N 415.446 0.639 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 1326167592 QLXRPUOLFIUEFY-CYBMUJFWSA-N 409.464 0.858 30 20 HCED C=CCn1c(Cc2noc([C@H](NC(=O)C3CC3)[C@H](C)O)n2)nnc1N1CCOCC1 1339196447 LBVJJPHHDLTTAX-BLLLJJGKSA-N 417.470 0.223 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1448779366 OSXLIXNGJWAJCI-UHFFFAOYSA-N 423.514 0.959 30 20 HCED C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1465344056 QZNXUNUDOKELMX-YJBOKZPZSA-N 411.462 0.616 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cn1 1467776862 ITAVICQEOKZEKI-UHFFFAOYSA-N 400.464 0.632 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)NC)CC1 1539775334 LDKHSRFIYSQLDZ-LLVKDONJSA-N 405.912 0.102 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)nc1 1583088074 SMKNWLXANORCDL-STQMWFEESA-N 402.398 0.825 30 20 HCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1611621606 OECSRXDJJBCEDW-CLCXKQKWSA-N 405.478 0.639 30 20 HCED CC(C)CC(=O)N1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1648982052 MSMQZOJDRVSFHB-UHFFFAOYSA-N 406.508 0.944 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC[C@H](CC#N)C2)c(O)nc1=O 1659395087 NVZHAXLHVWIREI-OAHLLOKOSA-N 420.514 0.936 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C[C@@H]2C1 1664590841 LALNXLSTSCTPPQ-QLFBSQMISA-N 400.501 0.644 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1690994312 ZUIYKSOLDZCYEJ-NSHDSACASA-N 401.393 0.788 30 20 HCED CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1694227427 NKCWNBAOHFVCSK-CABCVRRESA-N 403.487 0.434 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CCO1 1711360958 SHNKXPDYIOILES-GOSISDBHSA-N 420.477 0.973 30 20 HCED COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1712029727 RORXWTJMMRBLDJ-SJCJKPOMSA-N 423.474 0.782 30 20 HCED Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1742498538 KLMDYLWAGISNIU-BBRMVZONSA-N 410.479 0.535 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(Br)cnn2C)C1 1778408591 HEUCBAYAWZUUPC-CXAGYDPISA-N 409.284 0.943 30 20 HCED COc1ccc2oc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2c1 1778423270 OKJAOOCOWUTXRX-OAQYLSRUSA-N 412.398 0.973 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)COC3)C1 1778642055 ODVMXBBLYWXTNM-XMSQKQJNSA-N 412.442 0.932 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779125982 KDIHNXPOGUUSDW-VBKZILBWSA-N 404.467 0.755 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)cc(Cl)n3)C2)C1 1779805820 KPQDFUHHVUIUCJ-KRWDZBQOSA-N 412.229 0.920 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(COC)c[nH]3)C2)C1 1780073818 NQBQXXVWCVNTIQ-OLEQZPESSA-N 416.478 0.463 30 20 HCED 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3)C2)C1 1839224658 WQXBHBSKNLAQCS-OXQOHEQNSA-N 404.467 0.953 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1839227663 WIXBIXBZOLBVOD-JXFKEZNVSA-N 421.498 0.518 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c1 1839420333 BTOBKDWBUHIIJJ-FQEVSTJZSA-N 413.409 0.804 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840217234 ORHJSGAXAHMZHH-OXQOHEQNSA-N 409.483 0.938 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1840295623 YLEXKOLQGCFSQI-LJQANCHMSA-N 412.508 0.454 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840366201 RRYROYMBLMBLBZ-CKFHNAJUSA-N 408.524 0.289 30 20 HCED C/C(=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)C(=O)O 1840836676 NJOXGCAQYFIWTD-GBKYUFMXSA-N 412.442 0.525 30 20 HCED COc1nn(C)cc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299670 JXTZMCCELXJXEP-UWSDUSPXSA-N 405.455 0.775 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cnn3c2OCCC3)C1 1845613319 DYUPXMOZVPJUNS-UHFFFAOYSA-N 402.451 0.992 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846192344 FHLGSAHFUJFVMU-SZNDQCEHSA-N 417.462 0.677 30 20 HCED COCCN1C[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 47473814 ZTDGRXQZEROHLT-HNNXBMFYSA-N 410.478 0.870 30 20 HCED N#C[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 426471802 UBTUOOGZVNQPAN-GVDBMIGSSA-N 404.492 0.771 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](O)(C3CC3)C2)cc1 427651066 MZRZXQOVLLSXRT-LJQANCHMSA-N 407.492 0.805 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1ccc(O)cc1 427907077 SJEVVWJHNPYDNH-BBRMVZONSA-N 403.460 0.650 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nc1 428773912 SGPYRGQLRKYDOB-QGZVFWFLSA-N 409.446 0.984 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCc4nncn4C3)CC2)cc1 431671220 CDRZFWCTAWYYRO-OAHLLOKOSA-N 400.464 0.245 30 20 HCED N#Cc1c(CCCNC(=O)N2CCS(=O)(=O)CC2)nn(-c2ccc(F)cc2)c1N 432858709 KRRSDCAUQYJVDZ-UHFFFAOYSA-N 420.470 0.838 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](O)Cc1ccccc1 438253563 DPKXBQZIEKEAPX-DNVCBOLYSA-N 418.457 1.245 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 442138330 PTGOVULOOYEVFH-XCLFUZPHSA-N 413.434 0.778 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(C)(C)O)C[C@H]3C)CC2)o1 444677462 WDHUKZSWUVLWKP-OAHLLOKOSA-N 404.515 0.280 30 20 HCED CCOC1CC(O)(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 447425122 AHGFTZDWTBPFCC-UHFFFAOYSA-N 401.398 0.868 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 460919257 BEQMFUHDZHPPAU-UHFFFAOYSA-N 407.473 0.918 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 463443726 YEAWADGGUIPSKL-KBPBESRZSA-N 409.468 0.942 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)OC)c(C)cc2C)CC1 472431012 NHKJEYXNPLCWSJ-UHFFFAOYSA-N 416.478 0.475 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)c1 476406706 OFHIGQMKUBKDEW-UHFFFAOYSA-N 400.869 0.863 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCc3c(nnn3CCOC)C2)cc1 476901220 CIYAYLFYSFDYIL-UHFFFAOYSA-N 412.450 0.364 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2C(C)C)c1=O 478737061 UKIMRKIMTANYIY-CQSZACIVSA-N 415.519 0.527 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480959673 WXVDIKXQUQCNOD-UHFFFAOYSA-N 407.411 0.216 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 480968390 FQNSLQXNHWAHDK-OCCSQVGLSA-N 414.509 0.918 30 20 HCED CC(C)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 482178360 MMEAVERJYPNECY-QFBILLFUSA-N 421.567 0.613 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488639219 GJCSMVWFSCIGOK-INIZCTEOSA-N 407.430 0.421 30 20 HCED CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 492484044 LUKOJXAYKHHEIE-QGZVFWFLSA-N 423.477 0.901 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 502263636 XZHPKPYPUFBCHU-MOPGFXCFSA-N 402.495 0.759 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 502285151 TYOLTYLTZYKYER-UXHICEINSA-N 414.506 0.903 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)nn1-c1cccc(C#N)c1 502910129 AMBHUVMEDPNRBX-UHFFFAOYSA-N 420.473 0.959 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 504706117 DAXHRNJTJCRRTO-MRXNPFEDSA-N 420.491 0.458 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508464230 LFTJMYXAFPRWSW-HNNXBMFYSA-N 401.515 0.489 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCNC(=O)C1 508724043 NCGOJOKUYCSTQW-UHFFFAOYSA-N 416.507 0.852 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)c(OCC(F)(F)F)c1 508971969 WMURPMRSPBVUKW-UHFFFAOYSA-N 416.312 0.109 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 512408203 CHDZTUZLBMZLDP-QZTJIDSGSA-N 413.588 0.473 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(Cc3ncc[nH]3)CC2)CC1 514306427 IMNBZIVJAGPQAX-KRWDZBQOSA-N 413.551 0.998 30 20 HCED COC[C@@](C)(C#N)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 531877717 OFURIOCWPYTLEP-GOSISDBHSA-N 407.496 0.801 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 535373297 STLVKMVHEMNRFY-HZPDHXFCSA-N 406.508 0.864 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 538954279 UNXSXPRAJPAWGQ-UHFFFAOYSA-N 423.495 0.882 30 20 HCED Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551608840 ZGEWYLUAOGUAKJ-UGSOOPFHSA-N 408.462 0.695 30 20 HCED C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H](C)N1CCOCC1 553618237 OGWMJHOTJGUAAO-QZTJIDSGSA-N 415.538 0.674 30 20 HCED COC(=O)C1(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCS(=O)(=O)CC1 557575317 MQIVQODSNIKDIZ-CQSZACIVSA-N 423.466 0.760 30 20 HCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 582435371 MCEREMOORDYYNW-UHFFFAOYSA-N 407.430 0.956 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4O3)C2=O)cc1 588867107 XCICWVXYZUUNMT-UJWQCDCRSA-N 408.458 0.806 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)C1=O 607277999 AKVFLFCOCVDJMO-UHFFFAOYSA-N 413.369 0.594 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 609335997 NNBRIVSMVDYODV-UHFFFAOYSA-N 415.523 0.571 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 609349953 AAMRJPWWTHMYGI-UHFFFAOYSA-N 419.453 0.960 30 20 HCED N#CCCn1ccc(=NC(=O)c2cccc(C(=O)N=c3ccn(CCC#N)[nH]3)n2)[nH]1 609806322 HGDVLYFDJMJTRW-UHFFFAOYSA-N 403.406 0.650 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnnn3C3CC3)CC2)cc1 610303272 ANJRWGOCTMRHBZ-UHFFFAOYSA-N 415.479 0.597 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O 610608415 WVXKGRCRWAOGRX-BBATYDOGSA-N 403.826 0.987 30 20 HCED N#C[C@H]1CN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCO1 612596426 VIQRRJYENANYDI-AWEZNQCLSA-N 400.395 0.323 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](F)(C#N)C3)CC2)cc1 615643891 HRDJNZRXXKLOHU-SFHVURJKSA-N 410.471 0.466 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 618592855 PUTNVJOEZLXMGE-IEBWSBKVSA-N 417.510 0.977 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577275 LIODBUUXNFRRMK-UHFFFAOYSA-N 423.479 0.027 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727161471 ZFDMMRFBVJENBB-UHFFFAOYSA-N 415.519 0.465 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCc1nnc2n1CCCCC2 727489774 LGGXIIFPOWIYDE-UHFFFAOYSA-N 416.507 0.792 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1 728533722 QENBUFTYBCGJBO-HXUWFJFHSA-N 413.522 0.404 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 729257244 XZWWKXIXAYGSNA-MRXNPFEDSA-N 400.454 0.462 30 20 HCED N#C[C@@H](C(=O)COc1cccc(N2CCCC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 732909771 FUQQEOUGGJNDKO-INIZCTEOSA-N 419.459 0.158 30 20 HCED C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NC(=O)NC1CCCCC1 741343499 UTFVBZXWECTJRW-MHMQGTJDSA-N 406.439 0.993 30 20 HCED C[C@H](CC(=O)N1CSC[C@@H]1C(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742611460 RUYRUDVYGGPAOD-DGCLKSJQSA-N 410.521 0.493 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 757301657 ZBOAFGGNVYDOJM-OCCSQVGLSA-N 411.455 0.610 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 758093010 VEOKHDSIIWHWFK-CQSZACIVSA-N 417.871 0.285 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCNC(=O)c2cccnc2)C1 758338345 MMPFIFKJDSNQJP-GJZGRUSLSA-N 402.455 0.870 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C(C)C)s2)c1=O 758541980 VPWXQXDEEVBOGK-UHFFFAOYSA-N 418.544 0.941 30 20 HCED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)c1C#N 758870340 VTBYPYIXECRCCZ-FQEVSTJZSA-N 424.417 0.820 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)cc1 766592242 GNTLNRYJHUNUOA-XSLGSPGOSA-N 422.507 0.811 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cncs2)c1=O 767874677 ZKESZADDNDNTHD-UHFFFAOYSA-N 422.532 0.059 30 20 HCED COCCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 770169838 ZMVGJEWTYRSTFA-CSLYMUCUSA-N 417.528 0.805 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Br)c(C)n1)[C@@H]1CCS(=O)(=O)C1 773658300 SAJBVQPRLQHTTQ-LLVKDONJSA-N 414.281 0.740 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C)[C@H]1CCCO1 774865768 UFUOIHYOCWKAQF-YESZJQIVSA-N 403.479 0.720 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 776139123 PYOWUNLBQGCRTH-LLVKDONJSA-N 405.523 0.897 30 20 HCED COCCc1nnc(SCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)n1N 779761592 QXQNHWXAUKACGC-CYBMUJFWSA-N 421.552 0.743 30 20 HCED C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NC1(C#N)CCC1 787564929 KSONBFNMEDDJGM-AWEZNQCLSA-N 421.475 0.815 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCO1 787853289 XUARTZQSCVOTGU-SFTDATJTSA-N 412.534 0.608 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)CNS(=O)(=O)c2ccccc2N)C1=O 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0.713 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ccccc3[nH]2)C1 1778472465 KMXAJPDVWMGOMC-IIBYNOLFSA-N 410.430 0.778 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1778877871 DDPBILJUKLFVFR-YWZLYKJASA-N 404.467 0.137 30 20 HCED Cc1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)co1 1779101666 SKAKYRWPUNKHJL-KJOZLBEHSA-N 406.439 0.956 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1779106986 QORGAGDLVBGJJZ-NWWLPWKCSA-N 423.510 0.896 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCC3)C1 1779120997 YGSCPPGWKQCHGM-DKZVUGQWSA-N 414.506 0.995 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOCC1)C2 1779333042 UAMOCRMFJBPGMN-NJNPRVFISA-N 423.554 0.406 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)Cn4nccn4)C3)C2)cc1 1781418713 RPRIZZJMLBBWOV-NRFANRHFSA-N 408.462 0.612 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(C)=O)C1 1781786851 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410.496 0.591 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cn1 1831943696 QIGDQMSXSBBJBF-HXUWFJFHSA-N 402.451 0.710 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)no3)CCO2)C1 1832563087 BESNMZLRPZZLDY-OXQOHEQNSA-N 407.467 0.573 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)nc(Cl)c3)CCO2)C1 1833582653 FLVNVNQYLLVGKD-APPDUMDISA-N 415.899 0.829 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)cc1 1834106523 XNESAVIDZSKBIV-NRFANRHFSA-N 409.446 0.860 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834357671 UXHUFYMRWZCUNU-LAUBAEHRSA-N 421.469 0.864 30 20 HCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c(C(F)(F)F)o1 1834760253 IEHLIKTWFQMKRP-MRXNPFEDSA-N 416.356 0.986 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096103 PFQINJPNSJBBMW-QHCPKHFHSA-N 422.485 0.850 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c[nH]nc5c4)C3)C2)CC1 1835342624 ZFCSXWDKTAZTKT-OAQYLSRUSA-N 409.446 0.937 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccn5nccc5c4)C3)C2)CC1 1835344438 DOCOYUURTJEECG-OAQYLSRUSA-N 409.446 0.708 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccn4cncc4c3)CC2)CC1 1835606675 VXAZLIRXOXDQJU-UHFFFAOYSA-N 423.473 0.608 30 20 HCED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835662979 FVTMHRCBDJIHRV-NRFANRHFSA-N 400.479 0.628 30 20 HCED CCO/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682623 NKTLACKDIQNFHV-HSSRVXSRSA-N 408.499 0.275 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1835684502 SMYHGHUFUCILDG-GOSISDBHSA-N 405.543 0.995 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836959311 LVAIIKLDHHWKEG-IBGZPJMESA-N 401.398 0.457 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836962694 ZLDIHMOROXVXTD-ORAYPTAESA-N 422.482 0.862 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837396769 JOYJFHASRUQJAF-PGRDOPGGSA-N 423.554 0.502 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837398649 GTBDTNUZMDDUQE-KKSFZXQISA-N 421.469 0.864 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ncsc3[nH]1)CCO2 1837750131 LMIFYOWBDOYAEQ-GOSISDBHSA-N 403.464 0.998 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)cc1 1838949892 BMUUYZPBFIYBEM-JOCHJYFZSA-N 423.425 0.895 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839116711 MLCQWEGGLDQPTF-HSZRJFAPSA-N 415.534 0.875 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1839227676 IYXNHAQRMXBICG-DNVCBOLYSA-N 407.471 0.210 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc3ccnn13)CCO2 1839497141 UYDDWMXKFKXUGO-JOCHJYFZSA-N 408.458 0.818 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839562314 VRKMAGRUQZYLJX-IFXJQAMLSA-N 404.492 0.723 30 20 HCED O=C1Cc2cccc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)c2N1 1839572279 PGSFVVBGUBLWEF-HSZRJFAPSA-N 423.469 0.665 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1839808982 NDMQOQLKDUFBAQ-MRXNPFEDSA-N 400.357 0.142 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1839843124 RCSILMYXUBTPDE-FVJLSDCUSA-N 417.510 0.946 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1839886501 DPAGKSRUBNCZOI-RDTXWAMCSA-N 415.437 0.180 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1)C(F)(F)F 1839894866 VVDHAPLZNQTTIM-KRWDZBQOSA-N 416.400 0.766 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1840291963 PAASGUBWTSDSGB-QFIPXVFZSA-N 415.490 0.649 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1840293696 PWUNVGYXYHEHGL-DZCCDHAISA-N 417.550 0.977 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CCC(CC1)CC3)CCO2 1840544082 PQICEOBRQTVNOL-VYHPPPRESA-N 404.463 0.501 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1840589084 YIHYDDQOXRUQFN-KGVIQGDOSA-N 424.538 0.833 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(=O)OC(C)(C)C)CCO2 1840804828 BRPMJFQQDTXNPV-FOIQADDNSA-N 409.483 0.379 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844072384 LFGHGVQDWJMOIX-FYJGNVAPSA-N 400.483 0.954 30 20 HCED Cc1cccc(C)c1N1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CC1=O 1846194752 MCQSVNOEYSOHGE-KRWDZBQOSA-N 423.469 0.948 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)c1 43472773 LQGMINDPHYDZIB-UHFFFAOYSA-N 406.493 0.694 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN(C)S(=O)(=O)CC)cc1 52682712 KNZFXMOOERATJL-UHFFFAOYSA-N 410.496 0.329 30 20 HCED COc1ccccc1-c1n[nH]c(/N=C(\O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 52778656 LPPZYHCEQIBHRX-UHFFFAOYSA-N 410.394 0.516 30 20 HCED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 410390232 YJSCOILIAQAOSK-KFWWJZLASA-N 416.544 0.879 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 429307055 IXYRWLLFSHJEDL-IHRRRGAJSA-N 417.470 0.025 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCC(=O)NCCN3CCCCCC3)CC2)nc1 432448526 JIELWMZWOJLJPK-UHFFFAOYSA-N 413.526 0.777 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)cc1Br 432866954 UNEZPTQLRBWQFY-UHFFFAOYSA-N 408.299 0.681 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CCN1c1nccn2cnnc12 433883480 PSEFWISYQLKSQP-GFCCVEGCSA-N 408.397 0.811 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O 438722102 IBLOEAQGNPGHII-MRXNPFEDSA-N 417.429 0.599 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 440263061 DSFPNHMWERNKHD-UHFFFAOYSA-N 418.413 1.491 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)c1 441682821 AOAVMAJEOZGLHQ-UHFFFAOYSA-N 418.523 0.741 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCCO2 465414273 GKGYWYFWKPDBGR-ZDUSSCGKSA-N 408.418 0.795 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cn2c(n1)SCC2 466338221 ULHOYVJQUBQWPW-GFCCVEGCSA-N 405.505 0.886 30 20 HCED CC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472489479 WNKSJQMMRUPIBO-INIZCTEOSA-N 405.480 0.195 30 20 HCED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1OC 488982840 OBUZBZQUHROZQI-CYBMUJFWSA-N 414.483 0.881 30 20 HCED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490839483 XDZVUFWJDWWHPN-MRXNPFEDSA-N 400.439 0.286 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3COC[C@H]3n3ccnn3)n2)c(F)c1 504076463 KQIZOMRWGPXFRS-DZGCQCFKSA-N 410.369 0.169 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1C 511807938 NVNQLZBHGOTMJD-QGZVFWFLSA-N 416.507 0.243 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)OCC)CC1 513256825 UBDUMELUKHXWAV-UHFFFAOYSA-N 402.451 0.248 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2C[C@@H]2CCOC2)cc1 518403974 OTLGRCHBVDILPU-IRXDYDNUSA-N 423.477 0.979 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(Br)cc2)C1=O 522241903 MWHLSANONGDIHT-UHFFFAOYSA-N 423.223 0.481 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 524871735 JTYOVSQNZLNDPV-UHFFFAOYSA-N 414.491 0.674 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 537821905 ADWILFILPHUUTE-OAHLLOKOSA-N 423.495 0.473 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H](O)[C@@H]3CCOC3)n2)c(Cl)c1 541145346 JCFZPGTVZYBNLG-DOMZBBRYSA-N 403.826 0.849 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NCCCC#N)c1 544183844 SFROBUXBXAUDJY-UHFFFAOYSA-N 423.495 0.132 30 20 HCED Cc1nnc([C@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 544515838 PNCNEAXWLWRQAA-ZDUSSCGKSA-N 418.479 0.433 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(N)=O)C3)n2C[C@@H]2CCOC2)cc1 549634410 FCTCPGSPBZYBDE-RDJZCZTQSA-N 412.450 0.456 30 20 HCED COc1cc(N2C[C@H](C(=O)NCCn3cnc(C#N)n3)CC2=O)cc(OC)c1OC 552673570 ANGSZUYINLBBRY-GFCCVEGCSA-N 414.422 0.345 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 553768559 UQLLPCXCBHVDQW-PBHICJAKSA-N 410.492 0.683 30 20 HCED CCN1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1=O 553804720 QWYXPBMFPGBAMJ-INIZCTEOSA-N 415.469 0.863 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 554435136 JLNTVKVPUZIUMU-IRXDYDNUSA-N 411.462 0.295 30 20 HCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 558157367 CWSKABSHLLCLCI-CVEARBPZSA-N 402.503 0.172 30 20 HCED C=CCCOCCNC(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 561743541 PGYIXRQXDWIDAU-RBUKOAKNSA-N 414.506 0.410 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H]1[C@H]1CCCO1 562151342 FIWKWXQUZMIDLN-IAGOWNOFSA-N 408.462 1.553 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2cccc(OC)c2)CC1 565500404 RQWBPDQOTLHTCE-MRXNPFEDSA-N 418.494 0.025 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 568032530 GXGHBDYSCNQSSK-AWEZNQCLSA-N 401.510 0.257 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCOCC3(CCOCC3)C2)n1 571844786 QJTRRAYCRWTEEY-UHFFFAOYSA-N 410.434 0.733 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(c2snc(C)c2C#N)CC1 572923706 KWJSAQBSNVTPHZ-UHFFFAOYSA-N 417.495 0.994 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H](C)S1(=O)=O 574423355 CMWSESYZOPGRMF-HIFRSBDPSA-N 409.512 0.401 30 20 HCED COCCC1(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCCC1 574718895 UTJPSGVPEQJOIO-UHFFFAOYSA-N 416.526 0.962 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CNS(=O)(=O)c1c(C)noc1C 576991925 QZJZCUKEXQIKEA-UHFFFAOYSA-N 415.435 0.969 30 20 HCED CS(=O)(=O)Nc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 583662938 FBQPVXCXNFJGAZ-UHFFFAOYSA-N 422.488 0.524 30 20 HCED CCOc1ccnc(N2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)n1 588126438 JSMXWOKCUNWXEK-UHFFFAOYSA-N 415.498 0.018 30 20 HCED Cn1nc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccc21 588202344 NFWMNRVWFFYZMM-UHFFFAOYSA-N 403.446 0.805 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccnc(N(C)C)n1 589008618 QMTISOGGNVNYBR-UHFFFAOYSA-N 409.494 0.621 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 589453271 LITXHSQTHOJXDC-OALUTQOASA-N 420.535 0.721 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ncccc3F)n2)c1 589466465 BUZICAPKKVDDAH-UHFFFAOYSA-N 400.395 1.195 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 609220008 UBCSRUPBGRMFII-UHFFFAOYSA-N 401.463 0.739 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c1 673501760 IKLPDXMULKAIBV-SFHVURJKSA-N 420.535 0.576 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1OC 729428267 BNSBNWUXYPVKMG-YDHLFZDLSA-N 421.475 0.420 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@@H](C)CN2CCN(C)CC2)cn1 730144334 JMTBIMIJIIYHRA-GOEBONIOSA-N 421.571 0.607 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 733150776 UFSFHBATZDZHFM-SFHVURJKSA-N 403.527 0.198 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733164361 QFYHGEPSLOGPCW-UHFFFAOYSA-N 421.567 0.600 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(C)CCOC2)cc1 733668168 TXSTTYASYJSCFB-ODENVGOISA-N 422.507 0.981 30 20 HCED CCCCCCCCOCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 741670446 OUCBADCWPAFDTA-UHFFFAOYSA-N 418.604 1.000 30 20 HCED CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CC)c3)c2=O)c1 743730771 FVOSSTGRCAMTPO-UHFFFAOYSA-N 423.498 0.763 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](C(=O)N[C@H](C)CCC)C2)c1=O 747800254 KBHURJXANNISEX-SJORKVTESA-N 419.526 0.518 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CSCC(=O)N2CCOCC2)[C@@H](C#N)C1 749524749 DYBBDHUBTZWTKW-AWEZNQCLSA-N 412.512 0.550 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc21 754384423 LPAZCYSZPXFTIX-GFCCVEGCSA-N 414.422 0.619 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)C1 756886689 OZCSVIWVCWWDOD-WCQYABFASA-N 412.468 0.818 30 20 HCED C[C@H](CC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)/N=C1/NS(=O)(=O)c2ccccc21 757000769 JBWAVDXCGRSBLM-BMFZPTHFSA-N 407.492 0.910 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(F)c2)c1=O 758056947 YSOZFZBJRUFOLR-GFCCVEGCSA-N 417.437 0.475 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 758079504 LSPNVHRVLBAUFV-LBPRGKRZSA-N 412.496 0.130 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCN2C1=O 758764544 WJRIMAFMOCINIV-IHRRRGAJSA-N 420.470 0.423 30 20 HCED C#CCNC(=O)c1cccc(-c2noc([C@@H]3CC(=O)N(CCN4CCOCC4)C3)n2)c1 761807395 JBBFBVYDMTYVBR-GOSISDBHSA-N 423.473 0.748 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1C#N 765905502 QQFWAHKGPONTSS-LBPRGKRZSA-N 417.422 0.117 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 766363879 VPLMERYGHNZOOT-UHFFFAOYSA-N 411.461 0.574 30 20 HCED C[C@H](CC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 768539790 QAMAVYVULDYPJJ-PIGZYNQJSA-N 418.450 0.986 30 20 HCED C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 773131302 KOLWCMGUMSYMAV-MSOLQXFVSA-N 407.492 0.688 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 773443101 ZNMCQUGZYHCPEJ-CYBMUJFWSA-N 422.484 0.650 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@@H]1CCCO1 773793107 GCFFGIOUQFSJSZ-ROUUACIJSA-N 419.441 0.780 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCCO1 773799539 SMWKUAVVPLUNCZ-DOTOQJQBSA-N 405.476 0.123 30 20 HCED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)[C@H]1CCCO1 775349301 UCGMZOQEZWVURL-PKOBYXMFSA-N 421.519 0.684 30 20 HCED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCCC#N 776974518 XMZHQZJQKPGBJL-ACJLOTCBSA-N 419.459 0.441 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 778456043 IWVXELVVHFJUCV-HIFRSBDPSA-N 423.491 0.684 30 20 HCED Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1S(=O)(=O)N(C)C 782129712 OKFQPJPARYFCAV-UHFFFAOYSA-N 401.448 0.767 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)nc12 783375302 MFWLPRCFPWBFNK-UHFFFAOYSA-N 407.795 0.964 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 784866335 SUVWFWADFUUIJU-UHFFFAOYSA-N 414.487 0.971 30 20 HCED C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)NC1(C#N)CCC1 787614242 CBLPZSRBZAFWSR-CYBMUJFWSA-N 424.479 0.154 30 20 HCED C[C@@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N[C@H]1CCS(=O)(=O)C1 798799545 MYJLUXHIMAUPLD-OCCSQVGLSA-N 402.432 0.593 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccncc1 805814126 PTOWVUFTYGAGMW-GOSISDBHSA-N 401.511 0.828 30 20 HCED C=CCCOCCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 807780313 NMFATRHRNWCPRZ-UHFFFAOYSA-N 401.407 0.126 30 20 HCED CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816127819 JNPKUPANTHEWPG-NSHDSACASA-N 422.341 0.974 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c1cccs1 916420304 IREBIIYADCRCCI-UHFFFAOYSA-N 407.429 0.398 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)CCCC)CC1 917278766 FXQRMHCBQSDERV-CYBMUJFWSA-N 403.501 0.772 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 920200242 DYEUTHRDJYBCOZ-UHFFFAOYSA-N 406.508 0.433 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1000390936 BQVKLQPAPGSYNE-ZVZLPEGASA-N 404.467 0.158 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)NCC1(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1166279096 WCLHPXPVXFVEQQ-NEXGVSGLSA-N 404.511 0.686 30 20 HCED CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C1 1188629589 CGRHPHYYKMLPTG-KVIJGQROSA-N 404.511 0.333 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@]3(O)CCS(=O)(=O)C3)CC2=O)cc1Cl 1297993971 OOCKHLQZQSQVPX-YVEFUNNKSA-N 411.867 0.230 30 20 HCED CNC(=O)Cc1noc(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1307909152 SLUFFDYBTMQHOF-UHFFFAOYSA-N 406.450 0.942 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318047730 FCNKSPGGXLQAOU-RDJZCZTQSA-N 409.490 0.722 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCc1ccc(OCC#N)cc1 1327633772 FCXJUBIBYRTOCG-HNNXBMFYSA-N 408.480 0.424 30 20 HCED CN(C)C(=O)N[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1468922370 XPOVLLWDDRSIPC-CYBMUJFWSA-N 407.496 0.377 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CC1 1502312994 WGEDTLQEPZXYQQ-BRWVUGGUSA-N 402.547 0.851 30 20 HCED N#CC[C@]1(O)CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)C1 1557187454 MJRFZWRQRXZHNK-UTKZUKDTSA-N 400.479 0.637 30 20 HCED COc1cccc2c1OC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1559026148 XQDNHNJIDAJTLJ-OAHLLOKOSA-N 401.444 0.965 30 20 HCED C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1)N1CCOCC1 1741840505 LPLIRXKGFHRWMO-MRXNPFEDSA-N 409.494 0.864 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC2CC2)CCO1 1750386834 NXHGPZNWIDZNPP-AWEZNQCLSA-N 410.438 0.180 30 20 HCED CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1750994060 OZJKRTJQBGHTCX-CQSZACIVSA-N 408.528 0.835 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779051670 OKZYLSYDEIVIAF-RZQQEMMASA-N 401.467 0.145 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779102512 ZQNQRKXBOUWNNH-CIWYRLJTSA-N 405.455 0.393 30 20 HCED COCc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1780074605 KHRMRXAACRBBRO-NRFANRHFSA-N 417.510 0.886 30 20 HCED 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COc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1F 1830056340 UQPKYWRFASUCAK-HXUWFJFHSA-N 420.441 0.849 30 20 HCED Cc1c(F)cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830163820 OPQPXQCXSJLQAJ-HXUWFJFHSA-N 404.394 0.292 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1831208201 INMULLXATHDMFU-FQEVSTJZSA-N 405.401 0.843 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1831215960 VBLAFCJHXQVCMY-OAQYLSRUSA-N 409.446 0.441 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(C)n3)C2)C1 1831388542 ZHFFMMASASDBSC-IIBYNOLFSA-N 419.453 0.637 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)on3)C2)C1 1831391322 NGQGIOHVXXXXCA-IERDGZPVSA-N 419.478 0.906 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1831406329 GZSJTEQBUUEHCR-OAQYLSRUSA-N 420.462 0.693 30 20 HCED Cn1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1=O 1831895339 NZNOUMHNBPRNAL-OAQYLSRUSA-N 414.462 0.149 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](F)c1ccccc1)CCO2 1832232565 PUIPIWBLCATNCQ-UYAOXDASSA-N 404.394 0.242 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCc3sccc3C1)CCO2 1832584652 JMIPVRHQVKHPMR-HXUWFJFHSA-N 418.519 0.476 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](N)c4ccccn4)CC3)CC2)CC1 1834722972 WLSSESXDCASPMD-IBGZPJMESA-N 410.522 0.957 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755693 JBIDXPDQZGLOKT-FOIQADDNSA-N 422.482 0.366 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096055 NKTGSGSQLUOFJA-IRLDBZIGSA-N 400.475 0.511 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1835357175 IQPMKFLFXKMDJP-HXUWFJFHSA-N 416.434 0.227 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cc4cccnn4n3)CC2)CC1 1836079659 RSMWTCAQTBUQBI-UHFFFAOYSA-N 424.461 0.003 30 20 HCED CC(C)Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)n(C)n1 1836334964 IVQHXCKSQHVWRC-FQEVSTJZSA-N 403.483 0.602 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836392775 ZIYOHSDJLHJYJE-FQEVSTJZSA-N 412.450 0.349 30 20 HCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)cnn2c1 1836946966 JCOHENKOFCIWEF-NRFANRHFSA-N 424.461 0.412 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837737754 FNNXVOMVGSWPPK-IIBYNOLFSA-N 415.494 0.888 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840295199 ARTSKOJAUHXJHE-OAQYLSRUSA-N 402.495 0.613 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840614553 PKUVZQJJDFDODR-LAUBAEHRSA-N 410.511 0.993 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCOC3)CCO2)C1 1840876852 GYDJTFXFUBQUKH-HLIPFELVSA-N 411.499 0.670 30 20 HCED CCN1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840925769 JZWBHIXIQIOFLJ-JOCHJYFZSA-N 403.523 0.588 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2COc3ccccc3O2)C1 1841895157 DIYAHPVWMVYKPF-CNZFZVQHSA-N 411.458 0.888 30 20 HCED Cn1ncc(I)c1C(=O)N1CCCC12CN(C(=O)CC#N)C2 1843602873 DVIJVUNUVPGXRD-UHFFFAOYSA-N 413.219 0.755 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)C1 1843823311 QJDGDQDKGGKZFI-CABCVRRESA-N 406.483 0.721 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197486 UJDDKZQXCJVBTE-KBPBESRZSA-N 423.441 0.625 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1 52679424 IKQMHWKSTQONET-MRXNPFEDSA-N 401.511 0.683 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCNS(C)(=O)=O)c1 139641343 IDTYVVYWZADTTJ-NBVRZTHBSA-N 402.498 0.377 30 20 HCED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 216381655 RYJDGZZBLSRIFP-HOCLYGCPSA-N 410.478 0.120 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCOC[C@H]2c2noc(-c3ccccc3)n2)CCO1 409489715 BDNRKUKOUOMPOZ-CABCVRRESA-N 405.436 0.579 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 409551922 JOIKNMOHEDLNEQ-CYBMUJFWSA-N 404.514 0.434 30 20 HCED Cc1sc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C#N)c1C 427011200 DCWPWURWFMSMEU-GJZGRUSLSA-N 412.537 0.263 30 20 HCED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N(CCC#N)CC3CC3)n2)c1C 434999735 NBHWVBUCSAJXIH-UHFFFAOYSA-N 411.466 1.438 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 440275728 TWHRZAQKZLPBSC-INIZCTEOSA-N 410.409 1.067 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2C2CC2)CC1 440390350 LLSASBVQGNWRIW-UHFFFAOYSA-N 423.498 0.377 30 20 HCED N#Cc1ccsc1N1CC[C@@H](Nc2ccn(CC(=O)N3CCOCC3)n2)C1=O 444413725 DODOKOIZSQSEKP-CQSZACIVSA-N 400.464 0.892 30 20 HCED COC(=O)[C@@H]1[C@@H](O)CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 444732861 KNUYTZYANGXKQI-MPGHIAIKSA-N 406.508 0.455 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c(F)c1 446527813 RQRKZGKTJPWLMV-KGLIPLIRSA-N 409.439 0.831 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)NC2CCC(Oc3ccccc3C#N)CC2)cn1 446782422 YIQPKQZXLWIVFD-UHFFFAOYSA-N 424.461 0.946 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)n1 447479289 OMAWNYVYTSHPHS-CYBMUJFWSA-N 402.361 0.935 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)C2 466441125 MCSLEJPOIOOOKC-UHFFFAOYSA-N 422.405 0.481 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 478775145 SHXLRBPTKXJMNV-UHFFFAOYSA-N 421.457 0.387 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cnn(C)c2C#N)c1 483787580 RKEXHOSFNODTJE-UHFFFAOYSA-N 418.479 0.631 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(-n2ccnn2)c1 491584611 VUZKDXMPRZJPCD-AWEZNQCLSA-N 417.433 0.605 30 20 HCED C[C@@H]1CO[C@H](CO)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 492378565 ZZWQSKQAHHFTJT-PBHICJAKSA-N 407.492 0.567 30 20 HCED N#Cc1ncn(CC(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)n1 494567671 UKZKQUSXKGTGRN-UHFFFAOYSA-N 401.402 0.588 30 20 HCED CCOCCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505510502 RVGPLRRIXQKNLE-SFHVURJKSA-N 413.478 0.944 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 509255780 QKYJYQWJBHFHFF-HOTGVXAUSA-N 402.496 0.029 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)cc1 509394675 KZZISLHSRFVYMW-GOEBONIOSA-N 424.475 0.718 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H]2C(N)=O)C[C@]12C(=O)Nc1ccccc12 514024414 KHPVYNGROLSDEH-ZVGUJKQYSA-N 410.478 0.381 30 20 HCED CCCN1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 517615468 FSAOFVOFVBGTAJ-MOPGFXCFSA-N 411.506 0.623 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 521478431 HNFRGBGBKZHAGW-GOSISDBHSA-N 416.547 0.972 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccccn3)c2=O)cn1 522384365 VIOQKCXTCYIUCF-UHFFFAOYSA-N 422.514 0.786 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)NC(C)(C)C 524805037 PXEZNWRLMXXBMA-CQSZACIVSA-N 408.480 0.761 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 531083888 MRHQOAYVNRENHT-UHFFFAOYSA-N 416.406 0.638 30 20 HCED C=CCCOCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 533837562 HMIIEIKDAASRMH-GOSISDBHSA-N 417.462 0.348 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536966914 FUFDLKZRZBLIEC-CYBMUJFWSA-N 415.498 0.260 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)n1 538065985 MVSZSRCAMFDHNV-ZDUSSCGKSA-N 412.454 0.494 30 20 HCED CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 538077883 FPMSURKQLZBWGL-UHFFFAOYSA-N 411.466 0.661 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)n1 540269301 KORAUKFXPLWDAO-FQEVSTJZSA-N 423.433 0.645 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C 540454822 VDVBUMGLRBGNNW-UHFFFAOYSA-N 422.449 0.793 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CCO1 542897714 KPACQVJIQXKMLL-QGZVFWFLSA-N 423.429 0.966 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CNC(C)=O)CC1 544169049 MMOGZDGXXZEDJR-UHFFFAOYSA-N 402.451 0.897 30 20 HCED C=CCOC[C@H]1NC(=O)N(C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1=O 552728484 XBWGOGKWBARUBN-SJLPKXTDSA-N 419.453 0.966 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(Cn3cncn3)cc2)c1 553009619 RSJCMESJCNPCPV-UHFFFAOYSA-N 410.459 0.793 30 20 HCED C[C@@H]1c2nncn2CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 557440527 CFDHOYWUGYSLPA-HIFRSBDPSA-N 411.441 0.977 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 557958090 CNNNCWAPTDSINZ-HNNXBMFYSA-N 401.442 0.473 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)C2=O)cc1 558057742 RUJCOVHAEKFYDB-KCTOORRSSA-N 408.458 0.003 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(C)cc2N2CCOCC2)C1=O 561659650 GQVXZKZDBDVQKH-GOSISDBHSA-N 414.506 0.693 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(C#N)cc1 563289319 RSTFPEQAJNZKEH-AWEZNQCLSA-N 418.461 0.761 30 20 HCED N#Cc1cncc(S(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)c1 564406404 ARIMIAWFSLJJOU-UHFFFAOYSA-N 405.524 0.956 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)c1 568541031 NQYYBBLFMXMUNX-UHFFFAOYSA-N 407.430 0.413 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 570997512 PCJGGMFJEFRGKT-MRXNPFEDSA-N 402.499 0.107 30 20 HCED CN1CCN(CCCCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571711276 ZHXPMQNTORRDSG-FQEVSTJZSA-N 412.538 0.986 30 20 HCED Cc1nccn1CCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585716436 FXQISETZZZJPFF-UHFFFAOYSA-N 411.466 0.784 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 590898092 KKGRLVCFSDZQPY-UHFFFAOYSA-N 415.471 0.813 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 679119887 RYNHOTFARDMWIZ-SJORKVTESA-N 423.535 0.463 30 20 HCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCC#N 729358319 OXWZGUMLMNULTE-ZDUSSCGKSA-N 406.464 0.809 30 20 HCED C[C@@H]1Cc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2N1S(C)(=O)=O 731863430 WIKURFAYGZEPOT-JFLJVCDGSA-N 418.475 0.653 30 20 HCED CN(C[C@@H](O)COCc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732891623 PIBFXBIKUJNEEW-OZNQOIHVSA-N 402.451 0.732 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1 733149943 ZHSHMKWLGOIDMU-XBMUEBEBSA-N 402.539 0.697 30 20 HCED C[C@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 741098834 NYXFNQBMDSSRDH-FWLDDUTDSA-N 424.523 0.961 30 20 HCED CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741100317 QVZNYAXSHDFBFL-UFPHYQGISA-N 410.496 0.571 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 744878601 OHOVOQBQTVHOQC-NSHDSACASA-N 400.478 0.188 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 749630198 ZADMFIAEXQKQCV-UHFFFAOYSA-N 422.445 0.874 30 20 HCED CN(CC(C)(C)CN1CCOCC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 752370089 GSXUXOIRNDADGI-UHFFFAOYSA-N 422.551 0.932 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)nc1 755194992 XDHHJQKTYVXWFF-UHFFFAOYSA-N 407.434 0.645 30 20 HCED Cc1cc(Br)ccc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 759239247 VMAWSDIAHWOOPD-UHFFFAOYSA-N 403.261 0.493 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)cc1 761373813 ZOPBGDZPKTXUIB-UHFFFAOYSA-N 420.403 0.805 30 20 HCED C#CCN1CCC(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 772115463 WKMIOQMZQQOZDD-HNNXBMFYSA-N 421.519 0.270 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cn1 772279597 VSBDXXFWDKAEJK-UHFFFAOYSA-N 413.503 0.225 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1CCCO1 773788585 JSJQKVQACAXIAD-HOCLYGCPSA-N 416.459 0.511 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)O)c1 776688910 SFPMZJULSGGSGG-KRWDZBQOSA-N 420.418 0.999 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CSc2nnnn2CC(F)(F)F)CCCC1 779318546 SQWYZODRZWDTHO-UHFFFAOYSA-N 412.419 0.857 30 20 HCED N#Cc1ccc(CS(=O)(=O)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 782573926 NHMJHBMCFPHQKA-UHFFFAOYSA-N 402.388 0.842 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(CC(=O)OCC)c1)[C@@H]1CCS(=O)(=O)C1 783475952 SPGHZSZDBVFXAG-MRXNPFEDSA-N 406.460 0.380 30 20 HCED COC(=O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1 786677197 KZZWBJNAVDJHDT-CQSZACIVSA-N 402.432 0.541 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 786708304 RAGIYSXMBIARPT-QGZVFWFLSA-N 415.494 0.864 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CC1 788928971 QDFMNEGMVKYDGN-UHFFFAOYSA-N 415.538 0.595 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)C2)cc1 789787334 WZPTWMYZEMNCNY-ZDHNHOGNSA-N 408.480 0.421 30 20 HCED N#Cc1cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1F 792324246 QAERUQZQFDVJOJ-UHFFFAOYSA-N 405.407 0.860 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC 795923261 KVTYFPYULKHNGN-UHFFFAOYSA-N 410.901 0.587 30 20 HCED N#Cc1ccc(N2CCN(C[C@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)cn1 801554407 DYJABPUKLNFFRZ-IBGZPJMESA-N 406.446 0.953 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 803861803 IVAQCHAJBNBYPK-GFCCVEGCSA-N 422.444 0.137 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(=O)N3CCC(C)CC3)CC2)o1 805568736 YXTISXUDXQVIDQ-UHFFFAOYSA-N 403.439 0.305 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CC)CC(=O)NC(C)C)c1 807629395 ZEWCMLXNBHZNRI-UHFFFAOYSA-N 423.491 0.128 30 20 HCED CNC(=O)OC[C@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 813726321 VBXUVIGTRRRWHT-DZGCQCFKSA-N 408.480 0.962 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)cc1 914564959 OLGLRGSUYIPHFJ-UHFFFAOYSA-N 421.482 0.446 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 916875943 WTNSTWVTMGCNAK-UKRRQHHQSA-N 403.435 0.918 30 20 HCED C[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC(=O)N1 1312827343 OUORGIKPZGXMJV-SFHVURJKSA-N 405.480 0.243 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(S(N)(=O)=O)CC3)CC2=O)cc1Cl 1464833008 PILHBRTVJNBBQN-GFCCVEGCSA-N 410.883 0.844 30 20 HCED CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1501389141 JERZGFHHNZCSON-SFHVURJKSA-N 400.418 0.846 30 20 HCED CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CC1 1547734957 MOSHZZRJGDWDBD-IAGOWNOFSA-N 402.547 0.853 30 20 HCED CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1597428659 RHYKPEFUCWLBDV-CQSZACIVSA-N 403.487 0.434 30 20 HCED C[C@@H]1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCO1 1612693641 ZHAUMABTONVUKT-LVQVYYBASA-N 409.512 0.724 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1618842146 JHRGQAGVCRFZJF-QGZVFWFLSA-N 403.443 0.808 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)C1 1620347384 SVNAFKFJJHSYSU-SCLBCKFNSA-N 424.502 0.681 30 20 HCED Cn1c(=O)[nH]c(N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c1=O 1651123606 MMJFOAVPJUFANE-CYBMUJFWSA-N 404.471 0.077 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)CCN1C1CC1 1656416334 IGKOBOGLNGAGCZ-MRXNPFEDSA-N 404.492 0.705 30 20 HCED COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1697636067 QCCGDBOTFDOZBC-LSDHHAIUSA-N 418.479 0.361 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC1 1751279087 QUGIPMIMFITJTP-RDTXWAMCSA-N 409.512 0.462 30 20 HCED CC(=O)N1CCN(CCn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1760624559 RHVALZWRKOCKCT-LJQANCHMSA-N 415.542 0.904 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)NC 1764181274 QCIVIHXVKSWADM-MRXNPFEDSA-N 416.530 0.509 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1779101332 MSXTZFBQRQXNQH-QUOJIARXSA-N 406.439 0.956 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779677515 KDMBQYJDQROUMS-HXUWFJFHSA-N 403.435 0.522 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780428002 SHHOFZFIZPJXEK-IERDGZPVSA-N 418.494 0.892 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1780802687 ZLOJBLUCWRVXEC-GPMSIDNRSA-N 406.487 0.593 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1780809230 QTSICNINGBUBIH-YNIGFRRXSA-N 410.515 0.024 30 20 HCED CN1CCCC[C@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781029046 IVOWCBAXVFZVTH-WMZHIEFXSA-N 417.550 0.999 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1781263653 BWSJHGPSOXKKQZ-OXJNMPFZSA-N 404.467 0.783 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C1CCN(C)CC1)CCO2 1781264520 ITSVUTPQFXXINF-NRFANRHFSA-N 407.511 0.668 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781300483 WACLOLNKQDEOJH-QKKBWIMNSA-N 416.453 0.594 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)cc1 1781784459 KDBCUGFSNVEORU-OAQYLSRUSA-N 412.446 0.648 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966177 ATXTYLMPBPCMBX-HXUWFJFHSA-N 402.426 0.667 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(F)nc1)C2 1782010886 JLKWXAWOTNHHPU-IIBYNOLFSA-N 417.437 0.755 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782319824 PWMBKGFPNYJKLL-OAQYLSRUSA-N 416.478 0.782 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3CN(C(=O)OCc4ccccc4)C3)C2)C1 1783033841 QYTHOBYLQJPGMB-JOCHJYFZSA-N 411.458 0.718 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NO1)CCO2 1783557506 HVNCAFZSMSBMNY-UTKZUKDTSA-N 411.414 0.098 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cc(F)ccc1[N+](=O)[O-])CCO2 1783568154 OPTNUFUFAKHRSV-LJQANCHMSA-N 419.365 0.194 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788191128 ONUBRZZXZILHJG-UFYCRDLUSA-N 422.570 0.196 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCOCC3)C[C@@H]21 1789956026 VOURURAESAYEPK-OWSLCNJRSA-N 410.515 0.099 30 20 HCED Cc1nccn1CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790648414 RJAFAGXYXRRSTM-FQDBGSRPSA-N 416.526 0.643 30 20 HCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CCC4)[C@H]3C2)n(C)n1 1792138118 YKLQFQMUUAHGRM-DZKIICNBSA-N 401.467 0.716 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSc4nc[nH]n4)C[C@@H]32)CCC1 1792142342 VIXUTWZWGLCLAW-IHRRRGAJSA-N 404.496 0.570 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(Cl)nc1 1792370019 CIUDNQNPMHFGGT-MIFYACCESA-N 422.869 0.843 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)C2 1793346194 CKYGNALZQJWVIE-OJVCSNARSA-N 424.501 0.381 30 20 HCED CC(C)OC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795078059 ORILQIHNQVDJQK-XOIINTDNSA-N 400.435 0.764 30 20 HCED CS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)c1 1795085093 JVOPJZDXVCMZIJ-DPIQGUFMSA-N 409.439 0.346 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccccc1 1795385169 YCHXNNGTOLWQJV-XCDZQEORSA-N 402.491 0.883 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(O)n1)C2 1795597829 GQGIGEWXSIDHGR-XOIINTDNSA-N 401.467 0.272 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)nc(O)c1 1796377789 FLYLYTIRXWSQIY-DFGXFYAUSA-N 403.479 0.872 30 20 HCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ncn2nc(N3CCOCC3)ccc12 1796431643 PFULLVIUQFFWHD-MUJYYYPQSA-N 408.462 0.451 30 20 HCED Cn1ncc(Br)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC#N)C2 1796751071 CGVQONJCOBESSO-GNXNZQSNSA-N 410.272 0.690 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1797713437 NRPPAGHILRTXQH-OGJJZOIMSA-N 417.506 0.572 30 20 HCED COc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)OC)C3)c(C#N)c1 1799241437 YQTDZQRKKWTOKB-NYYTWLDWSA-N 401.463 0.734 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799745247 ZBVBTVJVUKQUOL-QXGSTGNESA-N 416.453 0.815 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ccc1O 1799793688 QYGKZIAPJZTZFW-GGNLRSJOSA-N 404.463 0.874 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12C[C@@H]1CCN2C(=O)OC(C)(C)C 1800775586 QHLQVKQHUORCAV-RUPGSYKBSA-N 403.479 0.609 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(=O)OCCO)C2 1800986289 JTKXYMXUQCKGRN-ZJOBFFGXSA-N 422.503 0.357 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cnccn1)C2 1801989834 LBQWIAGNKMIUNR-FAQVEIGNSA-N 421.457 0.559 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C1(C#N)CCC1 1804111905 PEGVAPBSDUUIFU-YVSFHVDLSA-N 405.451 0.813 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@@H]1c1cccnc1 1810247415 XNMILZWGEGRBNR-HLLBOEOZSA-N 402.499 0.144 30 20 HCED COc1cc(C#N)cc(C(=O)NC[C@H]2CCN(C(=O)C(O)O)[C@@H]2c2cccnc2)c1 1811407648 YUUTXJSBOFDZIZ-CRAIPNDOSA-N 410.430 0.592 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)[C@@H]2c2cccnc2)c1 1811536268 SDXCIKSFROYLFU-FRQCXROJSA-N 423.477 0.194 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814915142 BDFZPPSPGNLISP-RYUDHWBXSA-N 406.512 0.486 30 20 HCED CC(C)[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)[nH]n1 1815240965 SJMIPQXMIGCHCZ-XUJVJEKNSA-N 422.511 0.954 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CS(C)(=O)=O)CC2 1823079877 QJPGXFMVNYOTDJ-GHMZBOCLSA-N 416.525 0.901 30 20 HCED COCc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825669379 CKVCZXBCKKVLOI-LLVKDONJSA-N 402.432 0.931 30 20 HCED CCN1CCC(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)CC1 1825675710 YAYANVYMHAQFTR-CYBMUJFWSA-N 404.492 0.875 30 20 HCED COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1829940656 QMNXBJXUIOCNBK-QFIPXVFZSA-N 422.522 0.566 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCC(=O)NC3)CCO2)C1 1829959399 FMXKOSLFVWFGAQ-KSSFIOAISA-N 415.437 0.180 30 20 HCED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)COC1 1830030853 HJFUQVNHGKMOMM-SWHKHVPSSA-N 405.451 0.191 30 20 HCED Cc1nc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cs1 1831209375 LHEHXKZKQBFTMJ-HXUWFJFHSA-N 403.504 0.864 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3)C2)C1 1831391034 DWPQFYRSTOCWKU-LAUBAEHRSA-N 401.463 0.498 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)[C@H](C)CC)CCO2)C(F)(F)F 1831517369 HNZMQHZFQHWGGT-IFIJOSMWSA-N 408.417 0.968 30 20 HCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)no1 1832934122 WGRXUVZSPYGODR-IBGZPJMESA-N 403.439 0.071 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CN4CCNC4=N)CC3)CC2)C1 1833048626 NFAKMUPZNHHSPC-UHFFFAOYSA-N 402.543 0.364 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CCc4nc(N)n[nH]4)CC3)CC2)C1 1833049751 SHCAEMIPRFVNGB-UHFFFAOYSA-N 415.542 0.857 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C)c1F)CCO2 1833668585 ZVIIEZZCVSYHSQ-SFHVURJKSA-N 412.487 0.846 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ncc[nH]1)CCO2 1833719080 GQXDDRYNJKWZJB-OMFIOPNZSA-N 421.454 0.009 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1833896279 RYRBJIZVIYBUMC-FOIQADDNSA-N 422.482 0.402 30 20 HCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c(O)n1 1834756169 MWZXMIIKOLSRNJ-OAQYLSRUSA-N 414.462 0.889 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1834760188 IUKNOBDYBIXYLN-FQEVSTJZSA-N 401.419 0.328 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5ccccn45)C3)C2)CC1 1835341806 INZWLQBINRGWRG-OAQYLSRUSA-N 409.446 0.708 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)CC1 1835341972 NEJRJBWDJMHYCL-FQEVSTJZSA-N 410.434 0.103 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733249 VSXWOPRJBIAEHV-NQIIRXRSSA-N 415.494 0.441 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1839223267 RBNGHDGNTGESSC-OXJNMPFZSA-N 422.482 0.783 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1839888082 ZEGIXGKLRRUKAX-KSSFIOAISA-N 417.453 0.521 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccc1)CCO2 1840348904 RWEDENBOBKYASV-DBXWQHBBSA-N 403.479 0.544 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840566291 FQKKXINYMPGDOR-UKKLRFBMSA-N 423.558 0.255 30 20 HCED CC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n[nH]1 1842336452 SBIFWLQAUZSGBZ-YEWRBRKMSA-N 403.439 0.958 30 20 HCED COc1cnc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cn1 1842551493 CGGJXOIIVFQMRW-ZTBJCTOSSA-N 403.439 0.831 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1846366231 BXZUGBUEHCUAQG-CHWSQXEVSA-N 401.529 0.784 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 15927080 DMIWLLYXAUHGTD-UHFFFAOYSA-N 402.432 0.601 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@H](C(N)=O)C1)CCCC2 51104315 KESKVLLZRKXRSE-KSSFIOAISA-N 415.494 0.542 30 20 HCED CN(CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)S(=O)(=O)c1ccc(C#N)cc1 61625148 FEQKQSRCMOOIKN-KRWDZBQOSA-N 400.460 0.392 30 20 HCED CCOC(=O)C=c1sc(=Cc2cccc(C#N)c2)c(=O)n1CC(=O)N(CC)CC 255900798 CJHSMSORWLVKCU-UHFFFAOYSA-N 413.499 0.822 30 20 HCED CCN1CCC[C@H]1CN/C(N)=N/Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 304765512 ZIJXFPKOGHXPKN-SFHVURJKSA-N 422.599 0.511 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 409572221 SRBIQRHISNWHQF-LBPRGKRZSA-N 406.295 0.980 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 410127713 OALJDAAAIBCZGV-NSHDSACASA-N 420.479 0.611 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 410154309 MQOPHCGMRIFPEG-ZFWWWQNUSA-N 418.516 0.905 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 430399781 HTAPHHQGMRIEPL-MOPGFXCFSA-N 406.571 0.960 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 437409272 GDFGUUNYCULNGN-AWEZNQCLSA-N 422.507 0.877 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 439450913 XIUZXLKGXSLMFI-HNNXBMFYSA-N 413.883 0.859 30 20 HCED N#Cc1cccc(NCC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 440021020 KBCWHBUQDXVLPO-UHFFFAOYSA-N 419.429 0.947 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(COC)c2)c1=O 440381423 QGXYFKYXUVOCJF-UHFFFAOYSA-N 413.499 0.508 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCc2cn3cc(Br)ccc3n2)n1 444498990 OFXYUSYXEYNKGL-UHFFFAOYSA-N 416.239 1.462 30 20 HCED C=CCNC(=O)Cc1noc([C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)n1 445340582 JODXNJKTZBQTNT-ZDUSSCGKSA-N 408.484 0.823 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 446534227 YOZDZVPXPMXENZ-UHFFFAOYSA-N 417.441 0.723 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)COCC(F)(F)F 460607790 IIYHRDXEPATNRZ-LLVKDONJSA-N 410.356 1.470 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)N1CCOCC1 460938480 QULOHVGFXKCQCC-UHFFFAOYSA-N 423.481 0.792 30 20 HCED Cc1ccc(C[C@@H](CO)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 467314057 IXBWKCYDQHMXRO-IBGZPJMESA-N 418.457 1.165 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(CCS(N)(=O)=O)CC1 471032282 XFACPTDEAYKERJ-OAHLLOKOSA-N 411.503 0.367 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1=O 477556897 FHHYQSOOFFHJDQ-UHFFFAOYSA-N 410.430 0.656 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN([C@H](C(=O)O)C(C)C)C3=O)cc2C1=O 478963343 PODUKLXHYOUIHT-HOTGVXAUSA-N 413.430 0.909 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCN2CCCC2)CC1 479903593 QGFFSJXMYCYCML-QGZVFWFLSA-N 419.551 0.465 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1C 484174874 KRYHJMRJCOBANX-KRWDZBQOSA-N 411.418 0.775 30 20 HCED CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487500090 IAKHROBYUITEKF-SFHVURJKSA-N 412.494 0.122 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 497327579 PHALWJBEWQLORR-GXTWGEPZSA-N 411.505 0.732 30 20 HCED CN(CC(=O)NCc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(C#N)cc1 498091262 GQIRBDDARYNMEP-UHFFFAOYSA-N 412.431 0.940 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 499769416 KGOJMDFGKTUENV-GOSISDBHSA-N 413.478 0.549 30 20 HCED COc1cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc(S(C)(=O)=O)c1 500211076 TYBXDHNQTFEBIL-UHFFFAOYSA-N 410.496 0.731 30 20 HCED COC(=O)Cn1cc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 504452380 UYQXAPUZYUOUPR-INIZCTEOSA-N 411.422 0.318 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1 506770646 QLXUKYGAKGIGTC-ZDUSSCGKSA-N 408.480 0.121 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cn1 507535337 UTQRIJHHFZJYOG-UHFFFAOYSA-N 416.488 0.529 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCc3nc(-c4nc[nH]n4)no3)C2=O)cc1 508132260 DUPFACGYZLZEND-CQSZACIVSA-N 406.406 0.971 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)cc1 509755779 NNZSIRQKVDNPRV-CQSZACIVSA-N 422.507 0.423 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)N(C)[C@H](C)CC#N)c1 510195044 DTYFUNOEHRKFPH-CYBMUJFWSA-N 404.514 0.180 30 20 HCED C[C@H](CC#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 512087157 DLNNIAIRUQNXTC-GFCCVEGCSA-N 404.448 0.993 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](N4CCOCC4)C[C@H]3C)CC2)o1 512419620 ASTKNFMCUWVCOK-NVXWUHKLSA-N 402.499 0.298 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 513006280 WHYMLCWPVKTMFI-UHFFFAOYSA-N 416.459 0.618 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 515655596 WTGSBTNKXPHGGF-UHFFFAOYSA-N 402.457 0.847 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C#N)c(C)n2)c1 520682897 XRMNJWBUCZGZSE-GFCCVEGCSA-N 401.448 0.927 30 20 HCED C[C@H](C#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 521142874 RPTDQVDNPMCOCD-BXUZGUMPSA-N 421.928 0.697 30 20 HCED Cc1ccc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1S(=O)(=O)NCC#N 524578494 SMYRPNXQDAFIJT-MRXNPFEDSA-N 421.523 0.114 30 20 HCED Cc1nc(-c2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)n[nH]1 525847099 WRXAPRPIXSKRMK-UHFFFAOYSA-N 407.438 0.987 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n(CCC#N)n1 535570447 VSQAWBGGMWKUSM-QZTJIDSGSA-N 410.478 0.795 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)n1 536979139 UVTZTRVWIWCGEP-UHFFFAOYSA-N 423.477 0.739 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)C(C)(C)C1 541416293 GMSKBXUPVKNMLL-UHFFFAOYSA-N 409.464 0.558 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C(N)=O)[C@H](C)c1ccccc1 552733245 JXLHAAWFDNKONS-GLJUWKHASA-N 414.487 0.999 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 553712268 WKGXETCZISHURD-SJLPKXTDSA-N 413.478 0.007 30 20 HCED C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nnc2n1CCC2 555860533 GAHVKFIXDGLKJW-HNNXBMFYSA-N 409.494 0.864 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 559923571 MRWUNMQIPVHKCK-KRWDZBQOSA-N 419.501 0.867 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 561451129 VGDKWWKVGFLGQG-UHFFFAOYSA-N 424.465 0.363 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 567019389 FKCKMTASPVFLRG-HTAPYJJXSA-N 423.473 0.299 30 20 HCED N#Cc1ccc(C(=O)CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 570303363 VIPWPKKGAUTEBB-UHFFFAOYSA-N 402.388 0.744 30 20 HCED CS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 579043819 WCVLMRHERMRAPP-UHFFFAOYSA-N 421.500 0.698 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 589895684 VQHVWKANQNGRIK-MGPUTAFESA-N 411.466 0.505 30 20 HCED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cn1 590248381 PHNHBWYEOGSEFM-KRWDZBQOSA-N 403.402 0.548 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(C)C 603796364 PFATXXONYJNRCS-UHFFFAOYSA-N 403.479 0.971 30 20 HCED COCCn1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 610664224 GCCWDNAJQQWBEC-UHFFFAOYSA-N 413.438 0.554 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222419 LKRAKSXSINTWGX-UHFFFAOYSA-N 424.404 0.222 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(OCCCO)CC1 612236488 LKDBNQYQCXHMBG-UHFFFAOYSA-N 405.451 0.912 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)S(N)(=O)=O 615407364 GVFRVJLQJRNZPC-NSHDSACASA-N 403.420 0.477 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)C)C1=O 726404091 RMKNPJDADNGWBY-UXPDKRSESA-N 412.537 0.926 30 20 HCED N#Cc1cc(F)ccc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 728569240 BUJJSCWJTONJDQ-MRXNPFEDSA-N 401.485 0.332 30 20 HCED CCS(=O)(=O)Nc1ccc(C(C)=NNC(=S)NCCN2CCOCC2)cc1 729633770 SIBWZKJUGABMRU-UHFFFAOYSA-N 413.569 0.969 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1F 733975957 BIMSGHAZNJRBGG-OAHLLOKOSA-N 412.531 0.903 30 20 HCED CNC(=O)Cn1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 742559852 YFMFQOPOKUJEPQ-LLVKDONJSA-N 404.452 0.085 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1 744600395 DNIOTLLXDIWUBN-QGZVFWFLSA-N 416.459 0.684 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 745015066 ZWDQPTBISGGHRR-SWLSCSKDSA-N 411.436 0.982 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)CC1 747849835 FHFDTNZJNJAUPR-UHFFFAOYSA-N 422.459 0.410 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 748147697 YGHWSCUWDZQGDD-MRXNPFEDSA-N 409.464 0.551 30 20 HCED CN(C(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 748745556 QADHVBRYYKTFPR-CQSZACIVSA-N 422.532 0.638 30 20 HCED COC(=O)C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 752745472 AFJYXCKCDRSHBH-ZDUSSCGKSA-N 409.464 0.296 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)[C@@H](C#N)C1 754385820 OYKLRMNKQKQRPO-WFASDCNBSA-N 421.479 0.688 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncc(F)cn2)CC1 759415013 LEWPZVLVASOLGN-UHFFFAOYSA-N 418.454 0.393 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(CCCNC)c2C#N)c1 760308081 GVWLWEGQQYESJU-UHFFFAOYSA-N 400.464 0.597 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 761024452 NRQBTRPBNHQWDC-AWEZNQCLSA-N 410.496 0.116 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCc1ccco1 764586405 NPFTYBXBGZVKMP-CYBMUJFWSA-N 404.448 0.593 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(=O)O)C1 769521480 HBEGOBSUYHAOOZ-UONOGXRCSA-N 409.464 0.596 30 20 HCED N#C[C@@H](C(=O)c1ccc(-n2cnc3ccccc32)nc1)C(=O)N1CCS(=O)(=O)CC1 775244478 LNBOSSIAMTXJFK-HNNXBMFYSA-N 423.454 1.000 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 780047737 MXAISHMODUKSGF-KBPBESRZSA-N 408.480 0.704 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 782966417 KXMUKRWJPCWHFQ-HNNXBMFYSA-N 408.476 0.689 30 20 HCED CNS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784424349 AHQHVQQYMHXHPS-RGEXLXHISA-N 417.513 0.170 30 20 HCED C#CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 784599747 BAVXNSDSZNFHKG-UHFFFAOYSA-N 408.476 0.640 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccccc1C#N 786370611 YZGZTQRVEOSRIM-WNPFRXICSA-N 411.414 0.981 30 20 HCED Cc1nc(Cn2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)no1 787518049 BCDUHYVMDVTULP-NWDGAFQWSA-N 402.415 0.507 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 789331988 LVUABBJNPFGIPB-OALUTQOASA-N 422.551 0.533 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OCC)cc1 789455185 BGPKDYSNOBHQAX-GOSISDBHSA-N 415.471 0.897 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc3c2oc(=O)n3C)n1 789788388 IZIBTQJAZJMGNX-UHFFFAOYSA-N 411.418 0.575 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)CCCN1C(=O)CNC1=O 790863119 ZHRAMLLWLUKMJE-UHFFFAOYSA-N 418.353 0.714 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cscn2)c1=O 794580401 DFGKOVFPZRCLQS-LBPRGKRZSA-N 405.501 0.511 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)OCC(=O)N3CCN(C(=O)C4CC4)CC3)n2)c1 798800763 UQUYGOZFPCOXIM-UHFFFAOYSA-N 407.430 0.982 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 799284277 CHMUVVATWSZRAD-MPGHIAIKSA-N 401.463 0.765 30 20 HCED C#C[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCCO1 799322610 PDMWWXXAOWIWBK-CABCVRRESA-N 400.522 0.481 30 20 HCED CN1C[C@@H](COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1=O 802936154 WWGXLZHMRAJSPJ-HNNXBMFYSA-N 407.448 0.953 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)c1cnnn1C 803264599 SIDCQESKRWMGRJ-FQEVSTJZSA-N 409.402 0.706 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 810780662 LTRBQLNMXSUTCU-ZDUSSCGKSA-N 402.469 0.696 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CCC 812273192 ANZFMRNKHOTHBD-UHFFFAOYSA-N 407.446 0.796 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 814543314 ACVAODNSUPVYFT-AWEZNQCLSA-N 400.453 0.754 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](O)CC2)c1 815886763 IRJZPRVHCMMPMZ-MUNYZGMTSA-N 422.507 0.811 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 893607977 NMADQFKYVRGUGW-ZVHGMHCTSA-N 409.464 0.910 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(Cl)c2)c1=O 916199694 KNVQBJMXPMTZTD-UHFFFAOYSA-N 403.891 0.991 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1C(=O)CCC1=O 996982082 GNZRIGKBQKLIPG-NRKLIOEPSA-N 403.479 0.755 30 20 HCED CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303422777 FZJJZMUESWVOEK-INIZCTEOSA-N 416.530 0.508 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1318673180 XJOLTEWPHACAAS-VHEBQXMUSA-N 414.418 0.787 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)[C@@H](C#N)C(=O)N3CCCC3)CC2)cn1C 1341787942 QGLVYIMQYPWCAK-OAHLLOKOSA-N 407.496 0.461 30 20 HCED C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 1343362053 SGYHLOVZRSDTDH-NVXWUHKLSA-N 414.462 0.291 30 20 HCED CS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519530404 XFESIXBXWSEKDU-QGZVFWFLSA-N 415.523 0.485 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1593885960 OVIFNQMPGHZVNR-ZIAGYGMSSA-N 419.935 0.979 30 20 HCED N#Cc1cn(CCNC(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(=O)nc1O 1628738366 OMQLLTMAYVYAQF-QGZVFWFLSA-N 412.450 0.193 30 20 HCED COc1ccc(C2=NO[C@H](CNC(=O)CCn3cc(C#N)c(O)nc3=O)C2)cc1C 1634891773 ROWSVJGDGKVISW-HNNXBMFYSA-N 411.418 0.837 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 1638202634 PQFOCAFYKCBLTF-INIZCTEOSA-N 411.505 0.262 30 20 HCED COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1646111792 SILHPAYFTJTWKV-ZDUSSCGKSA-N 411.418 0.706 30 20 HCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722554819 MWAWXARVHLSCDE-OAHLLOKOSA-N 422.917 0.981 30 20 HCED CCN(C)C(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1745887743 QTPXGYJPJIIXHD-WMLDXEAASA-N 412.450 0.998 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1749877906 BFUFRGVIRPVRLD-NRFANRHFSA-N 412.494 0.737 30 20 HCED CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)CCOC1 1765816701 YVAFMHXVJQPDNP-HNAYVOBHSA-N 406.487 0.385 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]c3c2CCCC3)C1 1777879467 HZTKYDZVUDVSSS-IIBYNOLFSA-N 414.462 0.504 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778637 PYPZIUSSWPCDJD-LAUBAEHRSA-N 413.478 0.975 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1778973416 JWDLKGPRSUZVLH-KKSFZXQISA-N 418.494 0.518 30 20 HCED 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CCOC(=O)Cc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 505077370 XQYHRPGPWZTFMP-SNVBAGLBSA-N 423.476 0.821 30 20 HCED N#CCCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 505214077 VYINUFZSBFMTIS-UHFFFAOYSA-N 403.464 0.987 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)n1 508231814 FCBKYBSJOGMUJZ-ZDUSSCGKSA-N 410.500 0.379 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CCC)Cc2ccccc2)CC1 518414444 JCGIHGSAKGBXAI-IBGZPJMESA-N 400.523 0.960 30 20 HCED Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)CC2)c1C#N 518850690 SYSBTLASKQCCTQ-DZGCQCFKSA-N 406.512 0.791 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)NCC(F)(F)F)ccc1C 537488042 YKALCFRAMIZWSJ-UHFFFAOYSA-N 400.357 0.644 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)cc1 549732861 UZSBIRMXZBBNRN-CYBMUJFWSA-N 405.436 0.987 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 555732025 CEKKQFDGPZUPBJ-GOSISDBHSA-N 414.510 0.075 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 556111327 CWISRMQZUUGQAA-UHFFFAOYSA-N 420.473 0.377 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 557501246 BZFZOIOUUQAWNX-KRWDZBQOSA-N 418.469 0.857 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H]4COC[C@@H](C3)O4)n2)c(Cl)c1 559031426 CDTJZQDHXHTRAJ-BETUJISGSA-N 401.810 0.962 30 20 HCED Cc1ccoc1C(=O)NCCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 564488126 NQLFUIDLBWSCMJ-UHFFFAOYSA-N 404.448 0.674 30 20 HCED N#Cc1cc(NC(=O)C(=O)Nc2ccn(CCC(N)=O)n2)ccc1OCC(F)(F)F 565336875 XLSCYLMNCJNTKI-UHFFFAOYSA-N 424.339 1.148 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)n1 567202425 OATDDLGERPOFKT-CYBMUJFWSA-N 406.468 0.940 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 585681710 UTQQNGKRCIPVDE-UHFFFAOYSA-N 414.466 0.201 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCN3CCCCC3=O)CC2)nc1 587646791 BUJYCHTUHJVRIN-UHFFFAOYSA-N 412.494 0.557 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCCSC 603997978 DXMNYXFAVKVUHD-UHFFFAOYSA-N 415.540 0.847 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 604399946 CUPYLSGLHPYMFG-ZDUSSCGKSA-N 416.521 0.761 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1cc2c(cc1Br)OCCO2 610161446 QXFALLDRXJIEOA-UHFFFAOYSA-N 405.226 0.908 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCN1CCCS1(=O)=O 610607183 BOBQORDUHOILHK-UHFFFAOYSA-N 408.480 0.778 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 615632134 QEZOOXSWAXUCAX-OXJNMPFZSA-N 416.409 0.104 30 20 HCED C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H]2CCS(=O)(=O)C2)c1 726405709 QEMUNDKTQCZGJT-LSDHHAIUSA-N 405.501 0.923 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCc2ccccc2C1 726516440 IQTLTGFDUOBVTA-UHFFFAOYSA-N 412.471 0.426 30 20 HCED N#CC1(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCC1 736839401 XYDGNXHFDFMHJE-UHFFFAOYSA-N 421.475 0.561 30 20 HCED CCOC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737236706 XNGRWGNUKIPRDI-QNGOZBTKSA-N 424.479 0.507 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(F)(F)C(F)F)CC2)c1=O 738233591 JJBGDYQPBBOHNV-UHFFFAOYSA-N 421.395 0.019 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 739816681 NNSOWQCOAMKQKM-UHFFFAOYSA-N 413.381 0.864 30 20 HCED Cc1nc(=NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)n(-c2ccc(C#N)cc2)[nH]1 740689199 YKYWZGKNAJIKBW-GOSISDBHSA-N 414.429 0.928 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)cc1 741143476 XHPGESJRNQGTOI-UHFFFAOYSA-N 412.493 0.644 30 20 HCED CCN(CC(=O)NC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 741786101 AXEHPZMYTMHIBJ-UHFFFAOYSA-N 400.439 0.523 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 743962392 RFSRZPPKDTWLFP-HNNXBMFYSA-N 413.409 0.822 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745444536 SMMNGFZVVUUXBU-JFTPCVQSSA-N 405.451 0.523 30 20 HCED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746191194 QPBDPPKSYAWJNQ-RRYLNPQJSA-N 403.527 0.920 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@@H]1CCN(C2CCOCC2)C1=O 746905614 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408.524 0.539 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCC(F)(F)F 767679683 JWEBQDVQXCWEMY-VHSXEESVSA-N 407.370 0.835 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1CCCO1 773794981 JYFTXRVQGRJOFG-ZBFHGGJFSA-N 409.439 0.601 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945257 DDDQGSTUCJRNMH-UHFFFAOYSA-N 414.418 0.618 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)c(C)c1)[C@@H]1CCS(=O)(=O)C1 783479574 DRMLUARPOOHLRK-QGZVFWFLSA-N 419.503 0.419 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(CC(C)C)CC2)n1 786328682 AXXKEAKKYXEFEP-UHFFFAOYSA-N 403.527 0.728 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OC 795400495 FISUDKCMXNCWQA-LBPRGKRZSA-N 411.885 0.766 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1=O 798634618 RQAQLPYTEPEMLO-KGLIPLIRSA-N 402.856 0.309 30 20 HCED COC(=O)NCCc1ccc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)s1 798860591 ZJRQEHQXRONXET-VIFPVBQESA-N 412.453 0.176 30 20 HCED CC(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 805584983 IOZGMGMRLBUZOM-MRXNPFEDSA-N 402.426 0.758 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 809310382 BPOLNQZEIMNMQU-IRXDYDNUSA-N 422.526 0.295 30 20 HCED N#C[C@H](C(=O)CCCCC(N)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 810534683 ZXWYEJSEWNUIRH-MRXNPFEDSA-N 401.423 0.998 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811678246 BNDKNPAPZQKHQW-CHWSQXEVSA-N 411.480 0.289 30 20 HCED C[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)S1(=O)=O 813136550 DLDIAEZCEZONOB-YIYPIFLZSA-N 400.501 0.962 30 20 HCED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 857829097 SCTQVHGEDDMVTO-MRXNPFEDSA-N 423.535 0.928 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)c1 918956788 MPUJZFBNDFQYNE-UHFFFAOYSA-N 424.475 0.673 30 20 HCED CNS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1315072930 QFTFCIHXENKAHE-UHFFFAOYSA-N 403.512 0.943 30 20 HCED C[C@@H](CC(=O)N1CCc2nnc(O)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1325775870 HPWJWWGRLONFFH-NSHDSACASA-N 401.448 0.584 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1475620651 OIXHLQDUHUMJLJ-KRWDZBQOSA-N 408.524 0.642 30 20 HCED CCN(CC)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1515575315 KUXNLFQMUKRPSD-GJZGRUSLSA-N 413.548 0.349 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCCC2=O)C1 1635946266 QOFJFKZBCHVRAM-MRXNPFEDSA-N 418.519 0.973 30 20 HCED Cn1nccc1[C@H](O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1646322893 WOBGKQRJIUJWGJ-GOSISDBHSA-N 417.491 0.431 30 20 HCED CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1 1665599059 VLABZROOTQRGGJ-UHFFFAOYSA-N 415.537 0.720 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(C#N)cn1CCOC 1670537389 KRMCDTXQHPKYJS-DGCLKSJQSA-N 412.468 0.880 30 20 HCED C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1723842994 DAEXZIWTFDRVQQ-BFYDXBDKSA-N 421.571 0.307 30 20 HCED 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N#Cc1cc(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)ccc1Cl 56091635 XZQFQIXOISFECH-UHFFFAOYSA-N 410.883 0.667 30 20 HCED C[C@@H]1CN(CCOC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C[C@@H](C)O1 409484476 KJMZWVYEZIJVDC-JFIYKMOQSA-N 416.544 0.046 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)CCO1 410125833 QHXDDUDDZMUCPG-TZMCWYRMSA-N 409.386 0.504 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 410390233 YJSCOILIAQAOSK-QLFBSQMISA-N 416.544 0.879 30 20 HCED C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)Cn4cnc(C#N)n4)CC3)cc2NC1=O 426450591 NKBUSOFOVFGQFK-LBPRGKRZSA-N 408.418 0.991 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 434578990 WCFYTBMTGNRSJY-HNNXBMFYSA-N 402.499 0.757 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 435730002 COQQBEVVLNWWPF-UHFFFAOYSA-N 404.398 0.554 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2C[C@@H](C(N)=O)O[C@H](C)C2)c1C 436688099 NJBVIRYZOFKTCZ-BZNIZROVSA-N 410.434 0.401 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 442267314 WBXTZLOXJFLBFY-QGZVFWFLSA-N 418.519 0.904 30 20 HCED CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 443310587 VGOOWROHKJUNBK-CQSZACIVSA-N 408.480 0.763 30 20 HCED C[C@@H](CO)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@@H](C)O 443311793 TVUJSBKINJAYKP-LSDHHAIUSA-N 417.466 0.518 30 20 HCED CO[C@@]1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCOC1 461791876 XGOPKYKIKQNTHV-GOSISDBHSA-N 403.826 1.258 30 20 HCED COc1ccc(NC(=O)CN(C)[C@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 469216673 VDIIEVCDUNQRFJ-CQSZACIVSA-N 410.496 0.889 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H](CO)O1 470914602 CGOQFXMUHPIQAQ-RHSMWYFYSA-N 414.462 0.816 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3cc([C@H]4CCCO4)[nH][nH]3)[nH]2)c(F)c1 472959572 JTGVDMPSDJBWBD-OAHLLOKOSA-N 409.381 0.879 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 475553923 PYYPKMHMAWWARO-UHFFFAOYSA-N 421.504 0.396 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)s3)c(=O)n2C)CC1 477033289 UWKGULALLFQGOZ-UHFFFAOYSA-N 418.544 0.184 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 479820379 UDWMUSBLNUHNSS-WMLDXEAASA-N 420.491 0.075 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481220781 LZXSTHFOMOYKRN-BBRMVZONSA-N 424.548 0.995 30 20 HCED Cc1ccc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)cc1S(N)(=O)=O 492227135 YATAOKVCDDWGEC-UHFFFAOYSA-N 414.491 0.670 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nnc2n1CCCC2 497719248 HIUPXYLZFNBSER-CQSZACIVSA-N 416.507 0.902 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCO1 503606873 DIVOKTHLKHCJHV-ZDUSSCGKSA-N 415.324 0.838 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)n1 508368424 ZXOVVIDGNOHNTE-UHFFFAOYSA-N 402.418 0.820 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCNC(=O)[C@H]1Cc1nc2ccccc2o1 509270051 NEZRFYBWAAEPFO-DZGCQCFKSA-N 405.480 0.897 30 20 HCED CN(CCNC(=O)C1CCN(C(=O)NCC(=O)NCC#N)CC1)Cc1ccccc1 511921237 UNSURYIRACSTMZ-UHFFFAOYSA-N 414.510 0.296 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 517420002 ZMDRYGIHYBPIDS-UHFFFAOYSA-N 422.441 0.834 30 20 HCED CCc1nn(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c(=O)c(C#N)c1CC 518911374 LGASWJALPPRLGX-UHFFFAOYSA-N 411.528 0.416 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)C1=O 523001406 DOPIWGPJXQJHAK-VXGBXAGGSA-N 421.479 0.668 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC[C@@H]3NS(C)(=O)=O)CC2)o1 527262542 OLOUEELNELSDMF-GJZGRUSLSA-N 409.512 0.905 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)C1=O 532071819 RYSPBKKVTNVMGI-UHFFFAOYSA-N 421.413 0.349 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCC[C@H]1O 534382394 VNJMBQXPOXCCAQ-QZTJIDSGSA-N 420.535 0.484 30 20 HCED C=CCNC(=O)CNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 539702707 SLLVEDFZFSCPRA-OAQYLSRUSA-N 420.469 0.918 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)[C@@H]1CCS(=O)(=O)C1 540599535 POJBUKGMCIGOJT-OAHLLOKOSA-N 416.521 0.115 30 20 HCED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542075354 JBPVOSQXYKIJLL-LLVKDONJSA-N 407.427 0.761 30 20 HCED CC(=O)N1CCN(CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1 550432538 VHGNXHYERDIPII-UHFFFAOYSA-N 415.313 0.763 30 20 HCED CCN(CCCNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)S(C)(=O)=O 551635728 PRMATVIKIBMVHW-UHFFFAOYSA-N 421.523 0.253 30 20 HCED N#Cc1ccc(OC[C@H](O)CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 554840192 XNLFPYMGRHDXPO-LJQANCHMSA-N 408.458 0.660 30 20 HCED CCN(CCOCCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 558043613 RVVCOTDMMSRZRV-MRXNPFEDSA-N 406.458 0.640 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccc(C(N)=O)c3)C2=O)cc1 559821377 FOKJAQVNYWMQCA-GOSISDBHSA-N 419.441 0.191 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 560436388 GDRRRHOIKHHHKB-UHFFFAOYSA-N 421.523 0.758 30 20 HCED CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H](C)S1(=O)=O 561775280 AWKCDCVTSJAHHZ-DZGCQCFKSA-N 413.521 0.916 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 562009609 BLOMVKDOXDJGBY-INIZCTEOSA-N 418.929 0.222 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 562116019 BKVPOWDHMQFKRE-DZGCQCFKSA-N 413.521 0.508 30 20 HCED Cc1ccc(NC(=O)Cn2cncc(C#N)c2=O)cc1S(=O)(=O)N1CCOCC1 563919115 MQSHDQCZGHXSPS-UHFFFAOYSA-N 417.447 0.083 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 564463132 OJNGUQAEETXYKP-LBPRGKRZSA-N 421.417 0.355 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccc(F)cc2)c1 570764648 YSDFCJFZZJBPPQ-UHFFFAOYSA-N 404.423 0.522 30 20 HCED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 574181110 SPZPMCZCQNKFRF-WBVHZDCISA-N 406.508 0.500 30 20 HCED COCCCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 580743790 ODQCCSZBDLOUII-UHFFFAOYSA-N 422.507 0.228 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)CN3CCCC3)CC2)cc1 590371706 AZNPBAGTIDMFDL-SFHVURJKSA-N 420.535 0.532 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 612201241 JILMRIXOPHUFJM-CQSZACIVSA-N 424.479 0.062 30 20 HCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(N)=O)c1 727161306 VBCPGUIAEBKNOV-UHFFFAOYSA-N 421.482 0.131 30 20 HCED Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)nc2c1c(=O)n(C)c(=O)n2C 738861985 XMDPCVRYOSJETE-LBPRGKRZSA-N 421.413 0.996 30 20 HCED C#CCN(CC#CC)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 742002967 DPTXPIUGEBADQX-UHFFFAOYSA-N 401.488 0.638 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nc(O)nc(O)c2N)c1 742244911 AWTYGCYFUMMCMQ-NHDPSOOVSA-N 406.424 0.535 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)C1=O 747320144 KDDXMLGAGRQFDJ-UHFFFAOYSA-N 410.471 0.973 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cc1 754221126 ZAULMGXHPRTEJB-UHFFFAOYSA-N 405.476 0.710 30 20 HCED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ncnc2[nH]cnc12 754380672 VLPVRXVPIXLCIS-LBPRGKRZSA-N 400.443 0.761 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(S(C)(=O)=O)CC2)C1 758762536 TXTCISKVXOMICJ-OLZOCXBDSA-N 401.489 0.032 30 20 HCED C[C@@H](CO)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 759110018 UZCSQWMTKLZZMW-CHOFAJOMSA-N 424.523 0.963 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CC3)s2)c(=O)n1CCOC 761835438 JNFSXOSCZWNEGF-UHFFFAOYSA-N 418.544 0.919 30 20 HCED C#C[C@H](C)N(C)C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 767231876 JFLGPXUBIWEAEV-AWEZNQCLSA-N 421.498 0.427 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629800 JZOXQFYHSISQHE-ACJLOTCBSA-N 406.464 0.823 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O 767680155 LJENBQYDQHOVQD-BLLLJJGKSA-N 417.447 0.307 30 20 HCED N#Cc1ccc(OC[C@@H](O)CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)cc1 768479822 IQCQXURONSIXCT-HNNXBMFYSA-N 401.419 0.906 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CS(=O)(=O)c2ccccc21)c1cc[nH]n1 772277904 SGVHDICBNFVVDK-ZDUSSCGKSA-N 406.420 0.338 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CC(N)=O)n2)cc1 782719844 CGECNFJELVTACX-CJLVFECKSA-N 419.467 0.825 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)(C)O 784063043 ZHHALVTYMOOJOZ-GHTHLWOPSA-N 410.496 0.714 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786553265 TVXMKCMAISXFBY-SJQORLFUSA-N 409.442 0.873 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)c1cc[nH]n1 789966227 GBJYCFYHEFCCPK-LBPRGKRZSA-N 411.484 0.510 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)nc1 807101239 JRJWSTCIWKSENG-MRXNPFEDSA-N 400.483 0.098 30 20 HCED CON(CC1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 808175228 SYENIXKNXWEDHD-GOSISDBHSA-N 414.462 0.986 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)[C@H]1CCCO1 809307105 YSASGCSYFNEXAX-IAGOWNOFSA-N 403.866 0.921 30 20 HCED Cc1nsc(N2CCN(C(=O)CCc3nc(O)c4cnn(C)c4n3)CC2)c1C#N 812271222 DSSUZRUIODZSQO-UHFFFAOYSA-N 412.479 0.987 30 20 HCED CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1cnnn1C 814687928 YBOHPGXOKGYTIJ-UHFFFAOYSA-N 409.428 0.580 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1F 838664458 FIRKVQZMCPCZSC-UHFFFAOYSA-N 411.462 0.799 30 20 HCED Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)c1 838816307 CBSLVRMZDGFGRC-UHFFFAOYSA-N 405.483 0.723 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@H](O)COc1cccc(C(F)(F)F)c1 849063204 CBMBVSYYJBHGOC-HNNXBMFYSA-N 404.433 0.942 30 20 HCED Cn1c(=O)c2c(nc(Cl)n2C[C@H](O)COc2ccc(CC#N)cc2)n(C)c1=O 875930478 UBYUMLQGYMHKKC-LBPRGKRZSA-N 403.826 0.593 30 20 HCED CCN(CCC#N)C(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1109544599 DKTUZMOTRSFSNS-RKCSFXCNSA-N 404.511 0.522 30 20 HCED C=CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1116350167 VZMQVUQFIAFUTE-OAHLLOKOSA-N 401.529 0.741 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CC1 1286960730 PONKSNCZGWTVRN-NWDGAFQWSA-N 418.545 0.061 30 20 HCED Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1304562441 WFHYWFWRRGZDGS-GOSISDBHSA-N 410.478 0.765 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C(C)C)n2)c1=O 1319300948 IQSGJMKRWGBDHT-UHFFFAOYSA-N 418.544 0.941 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCN3C(=O)CCC3=O)C2=O)cc1 1322839761 PXRDINJGSIQEHP-OAHLLOKOSA-N 411.418 0.419 30 20 HCED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCNC2=O)C1 1330167343 QZNVOEHWQRTTGU-CABCVRRESA-N 408.528 0.750 30 20 HCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1359154333 LSRHIBIJGKGBRU-UHFFFAOYSA-N 416.935 0.671 30 20 HCED CCNC(=O)C(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1502368860 SKGQNXOCYJVLJY-OLZOCXBDSA-N 413.548 0.789 30 20 HCED C[C@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1545121724 WDGSRUKNVXCWRO-INIZCTEOSA-N 401.515 0.975 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)[C@@H]1CCOC1 1546305278 SIGRBHWXUVXMBA-VNQPRFMTSA-N 409.508 0.653 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1555988337 XPABWSZFHXFSGZ-OAHLLOKOSA-N 419.532 0.820 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 1678923175 UQYSVFPACJONAE-UHFFFAOYSA-N 422.454 0.739 30 20 HCED CC(=O)N1CCN(CCn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1690869500 IZODCBPSGVLXLA-LPHOPBHVSA-N 405.478 0.388 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[S@@](=O)CC 1694737752 FYMFELZJAHACAF-POXGOYDTSA-N 402.528 0.986 30 20 HCED Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1707504102 TYXNXUSQIQBWGV-INIZCTEOSA-N 411.466 0.185 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CCO[C@@H](C#N)C1 1710974276 QWBCGGIFKIMWBK-ZWKOTPCHSA-N 415.542 0.902 30 20 HCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1723778901 TVEBTBIMIBBFMC-HUUCEWRRSA-N 423.543 0.420 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777989711 YPXZFCBUOPVMDV-YWZLYKJASA-N 414.466 0.974 30 20 HCED 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N[C@@H](Cc1cscn1)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258939 LPTZCTMCLMQSGR-CPHRPENTSA-N 404.540 0.688 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1845438593 HGVZYCHVFLOOSJ-GKXUUXLPSA-N 423.514 0.505 30 20 HCED COCCN(C(=O)COc1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 14721791 TWNRZBOEUZGPFS-UHFFFAOYSA-N 415.450 0.705 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 409543508 HUWFLQZHKGLNHX-OAHLLOKOSA-N 400.526 0.638 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)n1 427270809 YEUGIQYGQJPQBY-CYBMUJFWSA-N 406.468 0.940 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 429785034 KFYMWGMXSMGLFX-SFHVURJKSA-N 410.478 1.143 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 431493726 CWQZFUJFGHORMT-UHFFFAOYSA-N 408.480 0.316 30 20 HCED C[C@@H]1CCS(=O)(=O)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 433034241 HRVXIKJZWCZINO-PBHICJAKSA-N 404.492 0.878 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 437409276 GDFGUUNYCULNGN-CQSZACIVSA-N 422.507 0.877 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 437509051 SMOSOEURCVGOED-UGSOOPFHSA-N 401.467 1.088 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCc2cccc(C#N)c2)cc1 440141067 YJRQTWLICLHLBU-UHFFFAOYSA-N 400.460 0.905 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)nn1CCC#N 441158719 SEUZHFPRWNOTPJ-OALUTQOASA-N 424.505 1.043 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCOC1 441952829 MZBHGQKAUVIWOQ-OAHLLOKOSA-N 410.499 0.455 30 20 HCED COCCN(C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 446539055 KSGNSVWUWYRTEB-MRXNPFEDSA-N 423.491 0.946 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNC(=O)C1CCC1 460710310 AULPLOIMOYASJP-UHFFFAOYSA-N 409.450 0.809 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(F)(F)[C@H](CO)C2)n1 464119546 IROSSCXHSZFZIQ-NSHDSACASA-N 407.352 1.298 30 20 HCED CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 464195540 WZLCSCKYSYNSOA-UHFFFAOYSA-N 409.464 0.647 30 20 HCED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC3CCN(CC#N)CC3)cc2)[nH]1 464974509 VAXRFZDDTPMIPI-UHFFFAOYSA-N 411.462 0.846 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 467049012 VJRFEQZDTLYGRT-CQSZACIVSA-N 418.479 0.048 30 20 HCED COCCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 477654793 VDXGAVPLYGVDGY-UHFFFAOYSA-N 417.485 0.573 30 20 HCED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 481487941 DRTRAAUPHMBIMG-QWHCGFSZSA-N 404.448 0.639 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2CC)CC1 489122798 QNMQECGJIBKNHF-UHFFFAOYSA-N 414.506 0.736 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1C 489132961 VOLAIFCGJPUCAF-UHFFFAOYSA-N 411.405 0.731 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 489621433 MIXBWIZIBHNWBW-UHFFFAOYSA-N 405.426 0.570 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 491482691 CGYQFJGDOCYYDF-UHFFFAOYSA-N 424.885 0.805 30 20 HCED C=CCN(C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1)[C@H]1CCS(=O)(=O)C1 497654610 XRFZOKNUGXHNJE-NSHDSACASA-N 407.452 0.584 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1 506548496 MBISIACXUCGKSF-UHFFFAOYSA-N 404.398 0.311 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1=O 508104077 IOHPTPSPNPZDKM-WBVHZDCISA-N 421.519 0.519 30 20 HCED N#CCNC(=O)CNC(=O)NCc1ccc(Br)cc1N1CCOCC1 511898126 XJNXZRXCVZFZLM-UHFFFAOYSA-N 410.272 0.725 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 518073005 RIJOVSSZXQFVLE-UHFFFAOYSA-N 416.478 0.923 30 20 HCED Cc1c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cccc1C(=O)N1CCSCC1 518516274 WARNQDBHPAPJIQ-AWEZNQCLSA-N 402.476 0.874 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 533069189 PPQBSVMDTQQZGJ-HUUCEWRRSA-N 409.487 0.999 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 539688220 BTMJPVMPLFMBDY-HNNXBMFYSA-N 403.439 0.344 30 20 HCED C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543929999 DAEIBBSJBXWOKW-NSHDSACASA-N 407.427 0.761 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1C(F)(F)F 548256572 OQGTWYWFBCDWMA-NSHDSACASA-N 412.367 0.449 30 20 HCED CCn1[nH]c(=NC(=O)C(=O)N=c2[nH]n(-c3ccc(C#N)cn3)cc2C)cc1C1CC1 549756699 ZGHWBMMFIIANAT-UHFFFAOYSA-N 404.434 0.962 30 20 HCED Cc1cc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 551456613 NDYLQRKRFDBBRX-UHFFFAOYSA-N 410.477 0.691 30 20 HCED COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cccc(Br)c1C#N 553481057 IFGRAWNZDRZXRB-UHFFFAOYSA-N 405.226 0.657 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)c1 553547862 PTDXWDPLRWRQLG-CQSZACIVSA-N 415.537 0.647 30 20 HCED Cc1ccn2cc(CNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)nc2c1 556656505 WHBBGQHSXXTJLR-UHFFFAOYSA-N 403.446 0.874 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CC(N)=O 562569642 AANBWWXCTZRYHN-LBPRGKRZSA-N 413.499 0.830 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 577094796 CCLXZQFRARGGPA-ZWKOTPCHSA-N 423.473 0.415 30 20 HCED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 581926337 OFLQHHDMGOYPGU-OAHLLOKOSA-N 406.508 0.548 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582024574 FCMJQDNWQFUWGV-QRVBRYPASA-N 410.474 0.873 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C1 589505175 TZEHIFRMLVUXCI-AWEZNQCLSA-N 412.471 0.884 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc4nc[nH]n34)CC2)cc1 590378508 COLUIGRAJLZBNA-UHFFFAOYSA-N 400.424 0.363 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 603552978 LPTLCOCTKBTVGP-UHFFFAOYSA-N 407.499 0.719 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 603590795 HDTQJJYIEQQVOI-DFEHZGFQSA-N 421.457 0.879 30 20 HCED Cc1nc(=NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)n(-c2ccc(C#N)cc2)[nH]1 610231899 ILXUAFMUERFZNQ-UHFFFAOYSA-N 400.420 0.965 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3cnccc3c2)c1=O 618638646 ARPYBVSCRNAXCK-UHFFFAOYSA-N 406.467 0.357 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)cc1 731129775 CDKWBVNHXUYAHI-UHFFFAOYSA-N 400.479 0.650 30 20 HCED N#CCNC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 731244969 AMFZKFMWLCBFMG-LBPRGKRZSA-N 410.408 0.178 30 20 HCED CCN1CCN([C@H](C)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733161100 IHSJXRQWOKKNDH-MRXNPFEDSA-N 421.567 0.648 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 740518368 ORVSTILAEIWYOX-UHFFFAOYSA-N 413.521 0.757 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 740518415 FPPVJTSMUADEQY-UHFFFAOYSA-N 412.537 0.424 30 20 HCED CC(C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741100316 QVZNYAXSHDFBFL-SSPLZPMDSA-N 410.496 0.571 30 20 HCED C#CCOc1cc(F)ccc1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 741658487 YTKCSAZHEUWYAP-UHFFFAOYSA-N 404.379 0.986 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 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0.815 30 20 HCED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CCN(c2ccccc2)C1=O 787754889 HYHGCACZSCAAMQ-KRWDZBQOSA-N 406.446 0.745 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 799288206 XCSMKHGOEZFNGI-LJQANCHMSA-N 400.479 0.180 30 20 HCED N#Cc1sc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)nc1Cl 804530228 ACRZQPKHLWMDSZ-SECBINFHSA-N 410.930 0.307 30 20 HCED COCCCn1c(S)nc2cc(C(=O)NCCn3cnc(C#N)n3)ccc2c1=O 804619998 IUGMGLJWDKHZFH-UHFFFAOYSA-N 413.463 0.615 30 20 HCED COC(=O)c1cccc(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)n1 809175591 BAFLLMWXRQTRSN-UHFFFAOYSA-N 409.445 0.524 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 814545034 QBJIWHLRLLSYHC-QGZVFWFLSA-N 408.476 0.098 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)COCc2nncn2C)c1 815046124 IRNWJCAFTSVFMW-RCCKNPSSSA-N 406.468 0.783 30 20 HCED Cn1cc([C@@H]2C[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cn1 820522482 NYNGXSJSWJYEKA-ZFWWWQNUSA-N 403.464 0.495 30 20 HCED 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423.473 0.788 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)nc(O)n4)CC3)CC2)CC1 1835075860 YELCZHXYRCSSQX-UHFFFAOYSA-N 414.466 0.377 30 20 HCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1835807264 IOPXTHUUFJDPDY-MEDUHNTESA-N 400.526 0.422 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@@](=O)CC)CCO2)C1 1837235705 ZCIMMLWFWXMUKV-RCAOJXLUSA-N 416.540 0.193 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837567515 PTQQEPHFPPZEHT-MHRHTVJOSA-N 419.478 0.460 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)C(F)(F)F)C2)C1 1837702980 RWMYTOFWYSWZGH-SUMWQHHRSA-N 419.400 0.252 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)CCC(N)=O)CC2)CC1 1837869171 CCMHSCLLCNTTDZ-UHFFFAOYSA-N 421.542 0.532 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838434044 JSMBBFWWWRYGLK-SUMWQHHRSA-N 415.556 0.454 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838652181 TZEZXURJKQAWPS-MGPUTAFESA-N 420.466 0.658 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncc(F)c4)C3)C2)c1 1838734528 AANJQXXOSJMMHM-FQEVSTJZSA-N 413.409 0.804 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c1 1838906039 MPHWXHCGQUYMAV-HXUWFJFHSA-N 411.418 0.371 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1839846418 RMOJGFXTYRHHBL-UTKZUKDTSA-N 407.511 0.668 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CC(N)=O)C1 1841660194 IUTTXWQZNKAUTL-GJZGRUSLSA-N 420.510 0.618 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CSC3=S)C2)c1 1847056058 RFHQZHNLUFGNRM-UHFFFAOYSA-N 403.489 0.564 30 20 HCED CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2(O)CCCCC2)CCC1=O 1848044653 JPARXTFPNRQRSU-IRXDYDNUSA-N 400.479 0.495 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21 9551136 IMQGVRKMDBUGKI-UHFFFAOYSA-N 417.447 0.314 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 32831424 KYAKYBOUBYNDJZ-GOSISDBHSA-N 421.479 0.710 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cnn(C)c2)c1 147665431 UKGHUXPHFWITCB-JWGURIENSA-N 418.479 0.488 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 409599027 QGORXZQPPSWCBZ-CQSZACIVSA-N 415.541 0.182 30 20 HCED Cc1c([C@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cnn1C 431208730 PMPMMWKPGUCKTP-QFBILLFUSA-N 407.478 0.863 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1C(F)(F)F 440397363 HSLFEFOEQCABMZ-NSHDSACASA-N 404.370 0.795 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 441001149 CMMFVNZBHOCRRW-ZDUSSCGKSA-N 412.393 0.250 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C 441458521 OMSJQDXIJMROSC-QGZVFWFLSA-N 402.451 0.895 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 441906283 DFIQJOIWWPVPDL-CQSZACIVSA-N 420.491 0.797 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 445205787 SAKLEECUWNOOEJ-OAHLLOKOSA-N 418.494 0.826 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447247727 JNZGFOHEORYKNE-UHFFFAOYSA-N 405.842 0.346 30 20 HCED CC(C)OCCN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460715634 GJKHEZQVUUYMCD-UHFFFAOYSA-N 411.466 0.647 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 467501289 JENWEOMQAXOAPF-LJQANCHMSA-N 420.491 0.601 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 470329949 FRCANXUDKQUYMY-GDBMZVCRSA-N 416.507 0.744 30 20 HCED C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 481487937 DRTRAAUPHMBIMG-CHWSQXEVSA-N 404.448 0.639 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCO[C@H](C)C2)CC1 481805941 JNPBJIUWBRNHOG-CVEARBPZSA-N 420.535 0.937 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1=O 482847272 KRJGZSXJEMBOON-BBRMVZONSA-N 422.507 0.017 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)C1=O 486862574 GKDHNOVFRKGFCL-QWRGUYRKSA-N 400.423 0.237 30 20 HCED N#C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C[C@]12C(=O)Nc1ccccc12 489061390 IBHCCONVWNMIGG-DMZKTXOQSA-N 415.409 0.854 30 20 HCED Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nn1CCC#N 504100855 QLTHEDCGZHJYCF-GFCCVEGCSA-N 404.452 0.510 30 20 HCED CCOC(=O)c1ccc(N2CCCN(C(=O)NCCn3cnc(C#N)n3)CC2)nc1 510608731 WCDLIUNEPTWERN-UHFFFAOYSA-N 412.454 0.643 30 20 HCED N#Cc1ccc(CN2CCC(N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)cc1 513232442 HSSJFXVPIIRNNF-LEWJYISDSA-N 418.563 0.610 30 20 HCED C[C@H]1COCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 520528029 NWUCWIPCOWDPDE-INIZCTEOSA-N 420.535 0.796 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)c3cccnc3)c2)C1=O 523379049 JSPUFWIYQORBGK-UHFFFAOYSA-N 421.413 0.927 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 526113490 CHYKJOQXDUBNEN-LSDHHAIUSA-N 404.471 0.433 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCCCN3CCN(C)CC3)CC2)c1C#N 530408007 WPDOOFZFVJXTBQ-UHFFFAOYSA-N 402.547 0.459 30 20 HCED CCC(=O)N1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 530929065 MFFQYXOZCTXVPT-UHFFFAOYSA-N 409.450 0.607 30 20 HCED CC[C@H]1C(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532969825 JUCKLWNEIKUOKD-HNNXBMFYSA-N 412.450 0.665 30 20 HCED CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 534098572 PIEFPZORXKRWHX-XJKSGUPXSA-N 408.480 0.594 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 541361951 FMDXPQZJQISOOS-GJZGRUSLSA-N 423.491 0.994 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 541362108 VNCKIZCXHDLBNJ-STQMWFEESA-N 411.480 0.802 30 20 HCED COCCN(C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543941759 IBSFSJZOKRIANS-UHFFFAOYSA-N 402.430 0.906 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(CN4C(=O)CNC4=O)cc3)no2)C1=O 545602619 RTMUMQNUIVIIMV-UHFFFAOYSA-N 424.373 0.265 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 550454921 FOKLYEAFLIOROV-LJQANCHMSA-N 413.522 0.680 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc2c(c1)OCCCO2 552745504 QXPLHJIOBBRREO-UHFFFAOYSA-N 412.450 0.732 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCC(F)(F)F)CC1 554521007 AHJIGUCNMYMDNB-UHFFFAOYSA-N 400.423 0.484 30 20 HCED CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 561535391 KGKOVTQMWQDJBN-UHFFFAOYSA-N 409.497 0.526 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 564409688 KFRYGKKMWAVKIA-UHFFFAOYSA-N 413.525 0.575 30 20 HCED C[C@]1(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 573350198 JTRCTKUSIAAATK-HXUWFJFHSA-N 413.434 0.998 30 20 HCED COC(=O)c1c(F)ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1F 576509458 XOBISKHURNODMS-UHFFFAOYSA-N 424.404 0.764 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 610060690 JESXOZNNFZDEKF-OAHLLOKOSA-N 410.496 0.758 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1 610083055 CCMVVXQKUHLJBY-LBPRGKRZSA-N 403.478 0.846 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)N(CCO)CCN3CCOCC3)CC2)nc1 611209458 RUYRUTMAQRMYRY-UHFFFAOYSA-N 402.499 0.258 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 612252967 IXTZLKLCAYNUHA-ZWKOTPCHSA-N 416.478 0.580 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c1F 669653024 QJSAAOOEYHWUGI-UHFFFAOYSA-N 403.435 0.271 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727161191 RCRWCUMZUWXTCO-UHFFFAOYSA-N 415.519 0.465 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCS(C)(=O)=O 728027355 CVOMQKQKVCROFF-CQSZACIVSA-N 415.537 0.787 30 20 HCED N#C[C@H](C(=O)CN1CCN(C(=O)CN2CCCC2)CC1)c1nc(O)c2ccccc2n1 728575707 ILAGJVMSDNAIOU-QGZVFWFLSA-N 422.489 0.752 30 20 HCED NC(=O)NC[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 729363536 MHLDQLIJACIADE-CYBMUJFWSA-N 407.496 0.555 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CC1 729368730 KFGBNCLKSCINGA-CQSZACIVSA-N 413.521 0.397 30 20 HCED Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 731851099 HCPZRAMYPGLRAN-NXVVXOECSA-N 413.477 0.203 30 20 HCED COC(=O)c1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(C(=O)OC)c1 732233311 CWIWHCXQCMUGBQ-NXVVXOECSA-N 416.390 0.908 30 20 HCED Cn1cc(N2CC[C@H](OC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 732309562 DTUXDHSZYODGPE-AWEZNQCLSA-N 417.447 0.197 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cncn2)C1 732759441 LZYXWELOENRLIQ-OAHLLOKOSA-N 402.480 0.815 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3CCOC3=O)ccc2F)CC1 741687982 TXNMMYMVNBRQAC-UHFFFAOYSA-N 402.426 0.680 30 20 HCED COC(C)(C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 743961141 IUSZLKIEALDKNQ-RCCKNPSSSA-N 410.496 0.979 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1sccc1C#N)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745440757 LCUHKZMOWPTWQF-PPRJDUMRSA-N 403.416 0.652 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 746020181 KYGIUOGHPYTSQU-STGLLQLASA-N 403.483 0.993 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 756750707 UHUFXTOVYXMXRX-LRDDRELGSA-N 417.447 0.307 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 756803271 YPLBDOJRIPCUPI-GXTWGEPZSA-N 405.459 0.852 30 20 HCED CC[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)N1CCOCC1 758574350 SZHWJXVDMJMRCQ-QLFBSQMISA-N 409.487 0.682 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1S(C)(=O)=O 758961871 PQJFTWBLQHLJFI-UHFFFAOYSA-N 401.448 0.832 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(CC3(C)COC3)nn2)c1 759020694 JDKGXOBUHKCGBM-UHFFFAOYSA-N 423.473 0.802 30 20 HCED CN(CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)C1CC1 759216603 NOJDLJGGYVLQQR-KRWDZBQOSA-N 413.434 0.821 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(C3CCC3)s2)c1=O 760376156 RUMPQFCVDXBARM-UHFFFAOYSA-N 418.544 0.919 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](S(C)(=O)=O)C2)C1 764740824 NTEGWPUZCOOMQN-IHRRRGAJSA-N 400.501 0.964 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCS(=O)(=O)N(C)C)cc1 765471623 DKJYNTFLUUBLQP-OBGWFSINSA-N 416.525 0.719 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C(=O)CO)CC2)c1 767853965 PBCABQVKQJTHNJ-SILNSSARSA-N 423.495 0.168 30 20 HCED COc1ccc2cc(C(C)=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)ccc2c1 771890777 HUUIDVDVDYPXQO-UHFFFAOYSA-N 416.459 0.948 30 20 HCED CS(=O)(=O)CCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 775991744 VEEWIPGLJOVMMI-INIZCTEOSA-N 410.565 0.966 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCC1 779321736 REXPZMUTDBAEGJ-GBOPCIDUSA-N 409.464 0.069 30 20 HCED Cc1cc(C)n(-c2nnc(SCC(=O)N3CCN([C@H](C#N)C(C)C)CC3)n2N)n1 779753869 GKBISWPSXUBKHU-OAHLLOKOSA-N 417.543 0.579 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CCO)C(C)(C)C2)cc1C#N 782156960 HLKWWOCCKWAQTG-UHFFFAOYSA-N 417.466 0.980 30 20 HCED CN(CCCNC(=O)CON=C(N)c1ccc(Br)cc1)S(C)(=O)=O 782947539 AYWABQAUVCFWMU-UHFFFAOYSA-N 421.317 0.484 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCC2)cc1 784196361 SYIPZVLKTAGLIQ-UHFFFAOYSA-N 408.436 0.029 30 20 HCED C[C@H](CC(=O)N1CCC2(CC1)COC(=O)N2)/N=C1/NS(=O)(=O)c2ccccc21 784750977 XMFVHQDQFGTLPV-GFCCVEGCSA-N 406.464 0.605 30 20 HCED C[C@H](OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)NC1(C#N)CCC1 787635955 ISAMINCIRJRLDV-AWEZNQCLSA-N 421.475 0.815 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1cc[nH]n1 787673463 RPWMLXHZTUBJGW-AWEZNQCLSA-N 407.471 0.405 30 20 HCED CCOC(=O)[C@H](COC)N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 788488620 RCDNVFPUXGUILX-AWEZNQCLSA-N 409.464 0.294 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)CCNS(=O)(=O)c2cccnc2)n1 790105756 BOODYWGCSBNONR-UHFFFAOYSA-N 405.480 0.255 30 20 HCED C#CCn1ccc(CN(CC)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 790118238 QXMSZVANCVTRJH-AWEZNQCLSA-N 417.491 0.331 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)c1C#N 793450333 JRUOQMILPNKSCB-HNNXBMFYSA-N 418.504 0.702 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795839155 ZQFMHVDGSAEFIW-INIZCTEOSA-N 403.357 0.923 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)N[C@@H](C)CC)c1 799286057 CNOWHEZRMFLXIH-YOEHRIQHSA-N 409.508 0.734 30 20 HCED CCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(C)C1=O 801507302 JAYFITSOBVNQNQ-AWEZNQCLSA-N 420.491 0.501 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 805392048 OZWVYBDWNOWMPY-HUUCEWRRSA-N 422.459 0.524 30 20 HCED N#Cc1ccc(S(=O)(=O)CCSc2nnc(-c3n[nH]c4c3CCC4)n2N)nc1 808025629 CTJAOWKOWJUKIE-UHFFFAOYSA-N 416.492 0.703 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c1 813982436 ZUROQPNCWBQORX-UHFFFAOYSA-N 410.433 0.254 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C2)c1 916691923 NHXVOFZFUJTTJA-FDXCNZBMSA-N 414.509 0.808 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 918477643 JGWXVTATPBKVSM-GBPUDXIESA-N 421.523 0.648 30 20 HCED CCN1CCN(CC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C(=O)C1=O 919148139 URDCLKDIHRNPQE-MRXNPFEDSA-N 414.462 0.864 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCc2c(C)nn(CCC#N)c2C)CC1 919252270 SRQNSWUTLOEFMH-INIZCTEOSA-N 403.483 0.969 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)Cc1cc(OC)ccc1S(=O)(=O)NC(C)(C)C 919388442 HNTDKMQUQAVUIC-CYBMUJFWSA-N 410.492 0.996 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc4c(c3)CCC4)c2=O)cn1 1116150460 MKFXDJWBNWDQJD-UHFFFAOYSA-N 419.510 0.853 30 20 HCED Cn1cc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 1153865972 JQUGSZBJOCYMMN-IPYPFGDCSA-N 402.455 0.648 30 20 HCED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 1295412405 WQXQBOLEEXKEPK-CYBMUJFWSA-N 422.850 0.851 30 20 HCED CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1302172729 NQGGTFOKPIZSNV-LSDHHAIUSA-N 410.544 0.877 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)ccc1OC 1311965196 XPXPBZMPYIWBNA-JKIFEVAISA-N 411.480 0.987 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1323978193 TWKDIRLXUOOTDK-HIFRSBDPSA-N 404.492 0.742 30 20 HCED CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCN(CCC#N)CC1 1454910566 QSJPXFYVKJWDAB-UHFFFAOYSA-N 413.521 0.176 30 20 HCED Cn1cc([C@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCN2)cn1 1470880785 REGKOLSAULEQNP-OAHLLOKOSA-N 402.480 0.022 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C#N)(C(=O)OC)CC1 1475292783 PFMLBLICHSESDG-UHFFFAOYSA-N 401.466 0.062 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCS(C)(=O)=O)n1 1492754331 WVEBGNOWHNUIAL-OAHLLOKOSA-N 407.500 0.303 30 20 HCED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1512557318 VKNQYBJZTAAODS-YJBOKZPZSA-N 409.494 0.849 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CS(=O)(=O)c2ccccc21 1523029651 DZRAYRRADXTQNX-LBPRGKRZSA-N 419.484 0.412 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)[C@H]3CCCOC3)CC2)cc1 1570325015 IXQDJGVNECVTRZ-PKOBYXMFSA-N 421.519 0.863 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1611307310 AZSZLPLEHZSFND-HIFRSBDPSA-N 422.515 0.315 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)CCO1 1620355442 JTLXPOQYLAQYFS-HUUCEWRRSA-N 409.512 0.604 30 20 HCED CCNC(=O)OC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1623861683 XVNKCKXFAPPDNU-HNNXBMFYSA-N 408.480 0.964 30 20 HCED CN1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)[C@H](CO)C1 1647810359 SCGNZWUGIDSBBS-IRXDYDNUSA-N 415.538 0.964 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 1654145162 QGVMUOLBQVBCHG-UHFFFAOYSA-N 418.523 0.295 30 20 HCED CCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1695831939 ZIWUJFNFLMWMNF-ZBFHGGJFSA-N 409.560 0.970 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712884369 KPMUBNWYCXRCOL-GDBMZVCRSA-N 402.480 0.427 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1761235654 GVYGUBZQANCUET-INIZCTEOSA-N 414.514 0.119 30 20 HCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1770360599 KWMVVDCWDMYBRS-QGZVFWFLSA-N 403.443 0.808 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778015186 LDOXAXRWFYICBG-XBHMSOGKSA-N 418.450 0.054 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3ccccn23)C1 1778587941 QVWNTYHCZGTIRI-IIBYNOLFSA-N 410.430 0.550 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1778976339 OPOQYWCTERSBOX-SJKOYZFVSA-N 421.416 0.068 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)c4cc(C)on4)C3)C2)C1 1779118818 CGCHOLKBQGNCFZ-FQEVSTJZSA-N 402.451 0.509 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(C)=O)C1 1779555769 IENHOASFBOIPIG-NWUWZPLHSA-N 409.527 0.864 30 20 HCED COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1780434336 RKKIQUSJVJUJAN-HXUWFJFHSA-N 418.498 0.154 30 20 HCED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CCC1=O 1780592758 CVFFVUGONFBSIS-OAQYLSRUSA-N 409.446 0.610 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)cc1 1781784457 KDBCUGFSNVEORU-NRFANRHFSA-N 412.446 0.648 30 20 HCED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782060900 NFIZNDSNLOGOMU-HXUWFJFHSA-N 400.435 0.666 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CN1C(=O)COc3ccc(Cl)cc31)CCO2 1783047197 ZHQNVOUAAPHIRS-HXUWFJFHSA-N 417.849 0.529 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1783194281 WPCHGFWJEYGNBG-SFHVURJKSA-N 408.405 0.835 30 20 HCED CCS(=O)(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1784446649 ZRGZCXDZAPJUNK-YXWQFLTLSA-N 406.570 0.355 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784457737 VDYCKCSFGXFLQE-JOCHJYFZSA-N 406.442 0.737 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)nn3C)C[C@@H]21 1784478924 PLGQNLIOFABESS-JKQORVJESA-N 404.467 0.060 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1784505607 RZILZFCSXQNXNQ-OWSLCNJRSA-N 407.511 0.570 30 20 HCED COc1nccnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1785650058 KYCGCSYOQLAPQS-VGWMRTNUSA-N 419.482 0.879 30 20 HCED COc1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C[C@@H]32)cn1 1786243012 FEDSBHHXVBTNQZ-ZQIUZPCESA-N 410.434 0.592 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1788601320 WGKNENQAWMCDLH-RJKWBWEDSA-N 416.482 0.247 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1788652804 MUNMLBOBVLWSHU-MJMYLRDPSA-N 405.455 0.532 30 20 HCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OCCCO)cc3)[C@H]2C1 1789233599 BKOBYKHYYKCFOO-WDSOQIARSA-N 401.463 0.955 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1790173936 ULSRBRXWSSUWTR-FPXQBCRKSA-N 421.494 0.223 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCS3(=O)=O)[C@H]2C1 1790751822 ZFADOHZLWSLZTF-AJNGGQMLSA-N 420.478 0.755 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]34C[C@H]3CCN4C(=O)OC(C)(C)C)[C@H]2C1 1791070163 FGDBBUPRBRVXSC-CKOFKNITSA-N 417.506 0.999 30 20 HCED 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VXGMONAUBVIHDZ-UHFFFAOYSA-N 412.515 0.994 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@H]2C#N)cc1S(=O)(=O)NCc1ccccn1 479820140 BHRQLZHBPKTODY-INIZCTEOSA-N 416.459 0.933 30 20 HCED CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 481113329 BHADUAHFMGGDJU-UHFFFAOYSA-N 410.471 0.811 30 20 HCED COCCOc1ncccc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481144505 TZYCQKMNQNHDOW-AWEZNQCLSA-N 418.475 0.962 30 20 HCED CNC(=O)CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 483562423 NHBQDAZGTCYQRC-CYBMUJFWSA-N 407.496 0.704 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487178019 FMRQKKBMGBGWLX-QGZVFWFLSA-N 419.507 0.240 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1 490836441 XCWSGADENZZSEO-CQSZACIVSA-N 407.452 0.261 30 20 HCED CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 497760919 DBQANHYEKSYUAN-NSHDSACASA-N 400.254 0.905 30 20 HCED N#Cc1cccc(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 501969250 FWGSGTGQMUOUSO-QGZVFWFLSA-N 413.521 0.514 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)c1C#N 505667849 WLMKSOQCRJLQKW-RDTXWAMCSA-N 410.482 0.202 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 507662383 XYURNVQIRVMTIN-OCCSQVGLSA-N 424.527 0.672 30 20 HCED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 508917357 JFXGWHVYQUUANU-YIDVYQOGSA-N 409.512 0.411 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCO1 511256450 GCERPLZELFBSAT-VQTJNVASSA-N 419.551 0.348 30 20 HCED C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513288673 FXKQARVKVJTJED-NSHDSACASA-N 407.427 0.761 30 20 HCED N#Cc1ccccc1OCC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 519081214 AKSWHKQWTNVFPS-UHFFFAOYSA-N 404.404 0.940 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 532899796 OCZFMARXPWSKSU-MRXNPFEDSA-N 403.464 0.696 30 20 HCED C=CCNC(=O)CNC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 537491499 BOKRAPCXFAVDJT-UHFFFAOYSA-N 407.448 0.998 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC(CC#N)CC3)cn2)C[C@H](C)O1 543826878 YGWKQSMDPVMPAZ-GJZGRUSLSA-N 416.482 0.610 30 20 HCED N#Cc1ccsc1N1CC[C@@H](Nc2cnn(CC(=O)N3CCOCC3)c2)C1=O 546535856 WKNJGQOFHOBRRR-OAHLLOKOSA-N 400.464 0.892 30 20 HCED COc1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)sc1S(N)(=O)=O 553353745 GAABZAHWYCYJGM-UHFFFAOYSA-N 407.477 0.633 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)c(F)c1 554152446 XTDBKFVCEUXUGZ-DLBZAZTESA-N 415.469 0.325 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cnn(CC(=O)NCCO)c3)C2)c(F)c1 557611074 KGXHMKPNZABNEO-CQSZACIVSA-N 400.414 0.467 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](COC)c2ccc(F)c(F)c2)CC1 568321209 DEUHNSZDZYGSJA-KRWDZBQOSA-N 424.448 0.215 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1 574626944 XFLXVRALDLIUBF-KGLIPLIRSA-N 402.455 0.241 30 20 HCED CC(C)CCOCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577207800 GENOOUPJOMNNTR-SFHVURJKSA-N 400.479 0.954 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2cccc(C)c2)CC1 579160333 UNNUDGKVTWLNGQ-KRWDZBQOSA-N 402.495 0.325 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc2c(c1)CCC2 580967314 GTTLWSGPYQZRHS-UHFFFAOYSA-N 419.510 0.679 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OCCOC)c2)c1=O 603995219 RBWSNMXNENTNTP-UHFFFAOYSA-N 413.499 0.737 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)s1 609416465 FZSWYZURUVVTSV-UHFFFAOYSA-N 404.517 0.047 30 20 HCED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 609485638 UITNODPEBFOWFE-GOSISDBHSA-N 406.575 0.211 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccccc2Br)c1 610677084 BIKGFNSPLKSZEM-GFCCVEGCSA-N 412.269 0.842 30 20 HCED N#CCCN1CCN(CC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CC1 611174380 CVCJLCOJSUIGFD-MRXNPFEDSA-N 410.565 0.795 30 20 HCED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 727103481 JUXFNRITDNBNRM-UHFFFAOYSA-N 408.524 0.715 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)CN2CCN(C)CC2)cn1 730144335 JMTBIMIJIIYHRA-HOCLYGCPSA-N 421.571 0.607 30 20 HCED C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 732156140 KGCUPDYLKLZGNU-DHQBXBPASA-N 411.418 0.096 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3cccnc3)c2=O)cn1 732563468 AKNZGNKLEXYNOB-UHFFFAOYSA-N 408.487 0.013 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccco2)c1=O 732663329 SCIYPMQJCOJIEJ-UHFFFAOYSA-N 405.501 0.228 30 20 HCED COc1ccc(-n2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)n2)cc1 732909420 BKNCNFJQCJWKQK-HNNXBMFYSA-N 402.432 0.460 30 20 HCED CC(C)N1CCC(NC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 744495570 PUTMCMMTLJXNGE-UHFFFAOYSA-N 422.507 0.257 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2C)CC1 747993340 GSDLPYXFQVFMAK-UHFFFAOYSA-N 415.446 0.473 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968961 RFKBXTVOBVVACG-MOPGFXCFSA-N 410.438 0.484 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 757595085 RXQVZLPPPTUKIY-WCQYABFASA-N 412.443 0.962 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758049785 KXMAHFWIGBLAKB-UHFFFAOYSA-N 410.455 0.871 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cn1 763426834 NKUVKIFLZRIIIH-WMZOPIPTSA-N 420.429 0.678 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1coc(S(=O)(=O)N(C)C)c1 766988410 NSHIDXGPNQOBNL-UHFFFAOYSA-N 413.433 0.529 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767679455 HYQHXXJEAUDCGG-NEPJUHHUSA-N 408.436 0.169 30 20 HCED C#CCOc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 768249990 KTFGTULRHIBFJK-GOSISDBHSA-N 412.533 0.333 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@@H]1CCCO1 773794830 JCOHYNFDTNOEFO-ZBFHGGJFSA-N 409.439 0.601 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)C1=O 779581382 LIRPPWYYPHQZGG-LLVKDONJSA-N 421.410 0.855 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 781518319 QCQFNBYKEHVLOQ-ZIAGYGMSSA-N 412.425 0.801 30 20 HCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCC#N)C1=O 784125805 STULQVDPQLFICO-LQFHHUIYSA-N 423.520 0.574 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 788273950 YSBCDWWRUAOFHB-HUUCEWRRSA-N 408.499 0.747 30 20 HCED CC(C)N1CCN(CCCOC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 791642178 FKROOHKHVIZGRM-UHFFFAOYSA-N 408.524 0.796 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)cc2F)CC1 795109847 BKXXCKRHHUFBKT-UHFFFAOYSA-N 411.455 0.058 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 796181113 SLYAWHMWHRELDW-UHFFFAOYSA-N 414.505 0.998 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)C 799274048 KOEQGBGDZFLIEG-OAHLLOKOSA-N 423.491 0.429 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 799286347 HIFMQCXOSQQCSN-AWEZNQCLSA-N 407.854 0.641 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1COc2ccccc2[C@H]1O 808970885 FVJQKNSLWQZMQR-MAUKXSAKSA-N 418.413 0.997 30 20 HCED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O 810393940 KZLRWCIAPWMKOB-CYBMUJFWSA-N 418.397 0.458 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(CC)CC2)cc1 811831560 FCQGDUXKVIJRMO-OAHLLOKOSA-N 407.492 0.308 30 20 HCED CNC(=O)CNC(=S)NN=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H]1CCOC1 812225355 CZPTUJZGPQKABR-QWHCGFSZSA-N 413.544 0.846 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cc1 812553674 DIITZBINZCLDNA-MRXNPFEDSA-N 424.438 0.945 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815542766 RTGCISFGFNOAQR-UHFFFAOYSA-N 405.455 0.617 30 20 HCED N#CCCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 839773916 IZHZARJAQYPGCH-UHFFFAOYSA-N 418.815 0.490 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 919318803 QHTKCBSFJVPYAX-QGZVFWFLSA-N 421.475 0.143 30 20 HCED C[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCc2sccc2C1 1221626833 MSCUSUGBGUHQCC-GFCCVEGCSA-N 402.480 0.628 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1321606086 DQRLQWCUARUWLH-NSHDSACASA-N 422.488 0.660 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1463839232 WABXYERVAYVKSP-UHFFFAOYSA-N 406.446 0.817 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3cc(S(C)(=O)=O)ccn3)CC2)c1C#N 1467123155 QKADEKUHLCAMKR-UHFFFAOYSA-N 403.468 0.753 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1C#N 1475481956 PYHNVWPPMSOGGH-QWRGUYRKSA-N 409.283 0.411 30 20 HCED CNC(=O)CCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1503819463 JGQVTSUXJFAUQS-UHFFFAOYSA-N 413.530 0.952 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCCC2)C1 1505139775 SGQOHASRQVOJLG-HOTGVXAUSA-N 424.527 0.530 30 20 HCED CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCC1 1515980273 MLPPQKHRACSQFN-ZIAGYGMSSA-N 401.471 0.264 30 20 HCED N#Cc1cn(CCNC(=O)c2nccn3c(Br)cnc23)c(=O)nc1O 1585296755 YFPBXSVPOZBXLK-UHFFFAOYSA-N 404.184 0.056 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1698485640 KPMKIIXOWATREP-CYBMUJFWSA-N 421.383 0.807 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1741803516 QPNDUKZAMHYJEU-UKRRQHHQSA-N 408.484 0.991 30 20 HCED COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1749329669 UZPWTNIVOKKSMJ-DLBZAZTESA-N 411.466 0.692 30 20 HCED CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750572745 QSLAKKFMGNGEPF-NVXWUHKLSA-N 401.515 0.731 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)n1 1751853521 JCKSPQFRXRYQLZ-GPMSIDNRSA-N 401.471 0.408 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769101479 FOZUZKSQLPIHIO-GJZGRUSLSA-N 414.514 0.178 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825521 PFNFLHZVBGNLDZ-LIRRHRJNSA-N 400.439 0.159 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1779004732 NZTWLIIEPGMJAE-WFXMLNOXSA-N 421.614 0.590 30 20 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20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1ncnn1C)C2 1847071770 WAPMYHQDMTVMHR-AWEZNQCLSA-N 416.482 0.549 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nnc2cc(C)nn2c1C 1847262211 QNIITRPBSOQDSQ-XFCCUVRLSA-N 423.477 0.415 30 20 HCED CCOc1cnc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)NCCC#N)cn1 1848334668 DFDYEPJYIKHVNZ-HOTGVXAUSA-N 400.483 0.973 30 20 HCED CCOCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 27506883 ZAUWHCCVKOIFQI-INIZCTEOSA-N 408.524 0.796 30 20 HCED C=CCn1nnnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O 52894246 KADMZUAPPZKEBG-UHFFFAOYSA-N 413.463 0.325 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 409474903 GPQHWOVFDKPWBO-UHFFFAOYSA-N 416.525 0.375 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)CCO1 409489719 BDNRKUKOUOMPOZ-HUUCEWRRSA-N 405.436 0.579 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 428228908 CYGNOOCPCRFABA-UHFFFAOYSA-N 410.434 0.893 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3Cc4cccc(O)c4C3)n2)cc1 429937135 CBAICAKTWBYSQO-MRXNPFEDSA-N 402.414 1.126 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)c(F)c1 431199181 RPBZVJNUBLQTAD-QGZVFWFLSA-N 413.453 0.663 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)CCN(C)C)cc2)C1=O 440267223 KYSAUIHUVPKGLK-QGZVFWFLSA-N 415.494 0.761 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)CN2CCOCC2)cc1 442010606 INFBTGMXNGCMCW-HXUWFJFHSA-N 419.482 0.132 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442045043 PPKNUTNLYVYBKQ-WCQYABFASA-N 401.448 0.782 30 20 HCED Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 448304983 YSZJNSLYINZZFY-OAHLLOKOSA-N 423.477 0.868 30 20 HCED CCOC(=O)C1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464860134 YSZMDZAOFCWCCN-OAHLLOKOSA-N 400.483 0.660 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 465063580 GYFVZOFQGTXNFY-YOEHRIQHSA-N 418.523 0.985 30 20 HCED CO[C@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)N(S(C)(=O)=O)C1 468841839 DQUNZQHMQQXGGY-RVKKMQEKSA-N 424.498 0.831 30 20 HCED CCN1CCN(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C(=O)C1=O 470225208 XHYXTPJWLQYYNT-UHFFFAOYSA-N 403.870 0.551 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC(=O)NCCN3CCOCC3)C2)n1 471960830 LRWDLJLQDLGDOG-GOSISDBHSA-N 414.510 0.043 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 476046510 FEOYDFZXNNDIHX-ZDUSSCGKSA-N 405.480 0.498 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)CC2)c1 477530770 PALQNTKODKCANI-UHFFFAOYSA-N 411.466 0.649 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 501582279 YWSXNTYMVVWZPG-HNNXBMFYSA-N 413.521 0.918 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)c1 504024905 XUEKSRVZAUSLEO-UHFFFAOYSA-N 407.430 0.631 30 20 HCED N#Cc1ccc(CN2CCC(N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)cc1 513232443 HSSJFXVPIIRNNF-NHCUHLMSSA-N 418.563 0.610 30 20 HCED CN(CC(=O)NC[C@H](O)COc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 517089971 XZCCZKLCPUCKQR-INIZCTEOSA-N 421.450 0.874 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 518226091 PDQLBINMJFOKLA-UHFFFAOYSA-N 421.505 0.683 30 20 HCED CN(C)CCN(C)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 520883992 GATKCFSPZFJHIS-UHFFFAOYSA-N 415.473 0.821 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 521005879 CLTMNCKSDDRGHK-LJQANCHMSA-N 413.522 0.798 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)ccc1OCC(F)(F)F 525320407 YVYWDHKJNDMOLD-UHFFFAOYSA-N 405.354 0.695 30 20 HCED CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)ncn1 536966523 PUMXHBVYZRYVFO-CQSZACIVSA-N 411.470 0.891 30 20 HCED COC(=O)[C@@]1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1 538391258 RGYSDMRYLHLVMA-YLJYHZDGSA-N 404.442 0.456 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H](C(N)=O)O1 541143788 LZLTWBJMBKJERE-QMTHXVAHSA-N 416.825 0.437 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cscn2)c1=O 548617593 IMVSPJXQSNENHA-GFCCVEGCSA-N 405.501 0.511 30 20 HCED Cc1cc2cc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)ccc2n(C)c1=O 550595543 IAOXNSNJBWMOMP-UHFFFAOYSA-N 407.434 0.711 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1 550918174 XUYSGVXXNFJAQK-UHFFFAOYSA-N 419.489 0.782 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 553434817 SLTKJMCLJUMAIS-QGZVFWFLSA-N 405.495 0.857 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 553984931 OLXIMQYVSDRJCX-UHFFFAOYSA-N 416.522 0.880 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 558641012 DUGHNYLCSDRMDX-CQSZACIVSA-N 402.480 0.566 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)CC1 561415385 UBMCPYXGMVHUQC-KRWDZBQOSA-N 407.559 0.202 30 20 HCED CCOC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 571846389 YWXFCUBGVLHNGL-QGZVFWFLSA-N 409.464 0.311 30 20 HCED CCCS(=O)(=O)NC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 573193941 CCVZNHQPBVOPHK-UHFFFAOYSA-N 400.526 0.521 30 20 HCED N#Cc1cncc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 574489194 QJECHVXNUQHXPC-AWEZNQCLSA-N 402.432 0.556 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)S1(=O)=O 584798362 JNOVPQQUXDOPAG-UKRRQHHQSA-N 413.521 0.603 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 588055935 IEDWLYDHKJWKQQ-MRXNPFEDSA-N 412.494 0.673 30 20 HCED CCC[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)S(N)(=O)=O 590421479 HMZZLSYPCFRXIM-MRXNPFEDSA-N 422.486 0.971 30 20 HCED CCOC(=O)c1ccc(N2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)nc1 604489025 FZHZINOKBUSTIF-UHFFFAOYSA-N 412.450 0.244 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CCO1 609944780 WNEGLJRRDJVYBU-HZPDHXFCSA-N 401.423 0.677 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 610676825 YWQXXNHBMPTXDB-INIZCTEOSA-N 420.470 0.247 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@@H]3CCOC3)CC2)CC1 611431439 IPZKLSRPJQYMEA-QZTJIDSGSA-N 403.552 0.863 30 20 HCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 613913814 UXRPEWDDVYMCAN-UHFFFAOYSA-N 406.917 0.067 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(CNC(C)=O)s2)C1=O 726043294 URVVIZVJOSWZJC-SNVBAGLBSA-N 421.431 0.475 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc1 727010225 RHSPUGYRFKZYJJ-UHFFFAOYSA-N 416.415 0.117 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 731128924 LXLBPOYOHUPQHD-SFHVURJKSA-N 400.479 0.696 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 733149776 QQMYJIQIWLJXMT-SFHVURJKSA-N 416.909 0.977 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C(N)=O)cc1 734587284 ONTFGCOIXYINNR-GOSISDBHSA-N 415.427 0.637 30 20 HCED C#CCN1CCC[C@H]1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 735060642 SLPYLCMURZFUJT-SFHVURJKSA-N 404.536 0.337 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC[S@](C)=O)CC1 741143827 PSDVIDOHUNQHDA-NDEPHWFRSA-N 402.524 0.673 30 20 HCED COCCNS(=O)(=O)c1cccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c1 742407974 GDCZZCXKQFXBNS-UHFFFAOYSA-N 424.504 0.742 30 20 HCED CCN(CC)CCO[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 746571186 UEDGVYHYWKNBBL-HNNXBMFYSA-N 408.524 0.684 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCOCC2)cc1 747006963 AHKMRXQDQWSXIM-SILNSSARSA-N 408.480 0.687 30 20 HCED CNC(=O)COc1ccc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1OC 750415574 AMHQRVFPKZJHEZ-UHFFFAOYSA-N 417.443 0.951 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 751086101 OVOZEZVMJSXMGA-GFCCVEGCSA-N 405.473 0.464 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758481693 UKNHPAIIJGKGKA-ZBFHGGJFSA-N 422.530 0.597 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)[C@H](C#N)C1 758752387 BQQCCWUPCPNVEZ-ZIAGYGMSSA-N 408.503 0.337 30 20 HCED N#CCOc1cccc(CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 760469599 HWOFCDCNLRUETQ-UHFFFAOYSA-N 408.462 0.777 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCO1 761488433 KEOLHKQHDLIIIO-UONOGXRCSA-N 420.470 0.876 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 767674852 GGRUHIRAQWPBPL-XIKOKIGWSA-N 404.448 0.577 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@@H]2CCOC2)CC1 771038952 LYFPRHITWWMNSV-MRXNPFEDSA-N 420.535 0.875 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3cccnc3)c2=O)cn1 772317122 UMUSZYQFHSXWAL-UHFFFAOYSA-N 406.471 0.094 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 777995401 OPHKQHBLJIXKBL-YPKPFQOOSA-N 420.369 0.827 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2nnnc2CNC(=O)OC(C)(C)C)CC1 779761192 KRUMONOHAJWUHH-CQSZACIVSA-N 406.491 0.390 30 20 HCED C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(Br)nn2C)c1=O 782793954 XNWBPZSANKYWEV-UHFFFAOYSA-N 419.304 0.767 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccnc1N1CCCCC1)[C@H]1CCS(=O)(=O)C1 783479959 NQDTZWGMJJOCLF-HNNXBMFYSA-N 404.492 0.659 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCO1 786662535 IUMCFEWFZGLXDF-HUUCEWRRSA-N 413.883 0.032 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1F 786663265 PTHWBRDCJWPKTB-UHFFFAOYSA-N 412.425 0.475 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](O)C2)cc1 789611795 YGNAMMMJUUCBOR-GMQBNRQOSA-N 422.507 0.715 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)O[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 795323718 DUCWWBFXAVTADU-INIZCTEOSA-N 405.407 0.615 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(CC(=C)C)CC2)n1 804894353 BJZMNNQKSRSMGX-UHFFFAOYSA-N 401.511 0.648 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)c1 807001557 FELAYSMZVUDRPP-UHFFFAOYSA-N 422.441 0.738 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[C@H]1CCCO1 809310785 URBTUBFWWCQICD-DLBZAZTESA-N 403.866 0.808 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1 810941413 YIYIZYCROPOQHM-AEFFLSMTSA-N 403.460 0.437 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C)c2=O)c(C(F)F)n1 812276428 KZTXANUMPTUGSV-UHFFFAOYSA-N 407.446 0.680 30 20 HCED 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CNC(=S)NCCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834600955 ICTKCNNWINOZPA-UHFFFAOYSA-N 420.583 0.346 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1834760593 OZEYYSFAIIHJAC-OAQYLSRUSA-N 415.446 0.718 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=Cc4ccccc4NC(=O)C3)C2)C1 1834763617 PWOOYYRRKXIHJZ-JOCHJYFZSA-N 424.457 0.782 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1835096356 DFJGCHOJYSEIOL-HSZRJFAPSA-N 411.502 0.590 30 20 HCED CC(C)N(C)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101411 BKPTYYWNJGQVRL-QHCPKHFHSA-N 413.518 0.835 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C=O)s4)C3)C2)CC1 1835342711 MEQBCCFFCOSYKH-IBGZPJMESA-N 403.460 0.934 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cn4ncccc4n3)CC2)CC1 1835395176 KRLUHCIYMKIXAI-UHFFFAOYSA-N 424.461 0.003 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1837395225 TXRCLPKEEBBYPN-OXJNMPFZSA-N 407.467 0.626 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837396307 AVMDEPUWFDJOGG-DYESRHJHSA-N 421.469 0.864 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311140 NRUUIWDAODFHBY-BDJLRTHQSA-N 402.904 0.462 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838366263 DNOGBBUJLMOMIV-HXUWFJFHSA-N 420.466 0.235 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633104 WLVBIEJJOKEQPY-NRFANRHFSA-N 418.494 0.832 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1)CCO2 1838848361 FTQSZLGTYKDWKD-BVGULUMVSA-N 413.474 0.615 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1839223770 HUXQJHCSXOJHOM-QFBILLFUSA-N 407.471 0.140 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1839228918 SNQNRMBDLQHZKP-CGJGEUGISA-N 419.482 0.680 30 20 HCED COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1C 1840044402 WMIVLQMMONSZEC-OAQYLSRUSA-N 416.430 0.162 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840161331 LGODSZQLLYLYEJ-DJJJIMSYSA-N 424.523 0.313 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840165828 LLKZCKSTKIPHER-DJJJIMSYSA-N 412.483 0.706 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840166171 WWWYYNIUXZJVNB-FOIQADDNSA-N 419.503 0.712 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1840167749 KGDABQUQRDGZEE-PXNSSMCTSA-N 420.535 0.273 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323532 MPCCHAREMPZRMG-MJGOQNOKSA-N 410.540 0.753 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841681582 LRIWPHXEGLDTFN-ZTBJCTOSSA-N 408.499 0.881 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1846001404 LIWHZLSHKOXUBT-CABCVRRESA-N 418.494 0.243 30 20 HCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846203041 GJDVQKSJIGJWIA-JKQORVJESA-N 418.494 0.862 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC(=O)NCC(F)(F)F 18587867 VCFZZINNFYPBGI-UHFFFAOYSA-N 402.329 0.727 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 25964647 LTWRYIDJQJJUEF-MRXNPFEDSA-N 421.475 0.465 30 20 HCED Cn1c(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(C#N)c(=O)n(C)c1=O 52088533 GIXKHGXPQFEHRN-UHFFFAOYSA-N 405.817 0.711 30 20 HCED Cn1c(NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(C#N)c(=O)n(C)c1=O 59333641 CJTQSOZYPHBTKM-UHFFFAOYSA-N 422.424 0.779 30 20 HCED N#CC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 60990364 RTXSNSUPEAFLLC-UHFFFAOYSA-N 406.512 0.479 30 20 HCED CCCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 65579810 IZWKSDCVDDGGOI-HNNXBMFYSA-N 407.496 0.618 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 409551694 UHHJCMTYGZSRRQ-AWEZNQCLSA-N 408.480 0.899 30 20 HCED C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C(=O)N1CCS(=O)(=O)CC1 432492787 ZRIGDHFIZFFPQE-CQSZACIVSA-N 420.491 0.429 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H](C)CC#N)CC2)c1 438657095 QLFMNWGTWBZGMA-OAHLLOKOSA-N 424.523 0.771 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 439544372 CDSFNDSJMRMGOE-PBHICJAKSA-N 400.435 0.448 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCOC1 441921062 KIQOXHZKCHGXMP-HNNXBMFYSA-N 412.515 0.679 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)n2)c(Cl)c1 443257774 QLAYZGTYPBUXRM-YOCBEXAOSA-N 411.849 1.564 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1 444516410 ARDFZOFYHROBNN-MRXNPFEDSA-N 408.462 1.404 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 465071728 OULVNQWUKADRNY-GOEBONIOSA-N 415.537 0.599 30 20 HCED CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465255097 GVAFCLWFWZFLHS-CQSZACIVSA-N 414.491 0.997 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 465422026 MQRRDKWPMBSGSZ-AWEZNQCLSA-N 421.461 0.726 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 467710353 HAMGOFWCIIHYHH-CQSZACIVSA-N 418.479 0.361 30 20 HCED N#Cc1c(NC(=O)CCN2CCN(CCS(N)(=O)=O)CC2)sc2c1CCC2 471033326 TXDDZPSLRYGWEZ-UHFFFAOYSA-N 411.553 0.343 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)COc2cccc(F)c2)CC1 476281144 DOSJKIIXAFWVMG-HNNXBMFYSA-N 406.458 0.156 30 20 HCED COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 480350265 BXVKQBBTJGFDEF-IXDOHACOSA-N 405.476 0.920 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 481037410 PGEWKFZDYGLTIU-AVGNSLFASA-N 424.479 0.950 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487104239 PKPZLERDRXUDME-IAGOWNOFSA-N 419.507 0.382 30 20 HCED CC(C)(O)[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 489626056 WLTWSOINJBJHHI-SFHVURJKSA-N 420.535 0.626 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 497365321 MSZSVKHAMGFFKX-NSHDSACASA-N 414.450 0.675 30 20 HCED COc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C)c1=O 502008731 YNHGLUHTRJJYDY-UHFFFAOYSA-N 423.498 0.669 30 20 HCED C=CCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508965575 WQLVQQGVPXRHPJ-UHFFFAOYSA-N 406.468 0.544 30 20 HCED C[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 510230420 UJCCGLWMCUKEHM-HZPDHXFCSA-N 408.462 0.969 30 20 HCED CCn1c(N)c(C(=O)CN2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513979901 LHGHWVRXXMJUHA-YBTHPKLGSA-N 408.418 0.079 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C1CC1 514491550 VURKIVDKSPGLMT-UHFFFAOYSA-N 404.517 0.665 30 20 HCED CN(C)C(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 515180560 XOULSBBEUFNVCE-UHFFFAOYSA-N 400.460 0.855 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 517264040 KYZSGHQWLVCLEC-MUUNZHRXSA-N 402.520 0.620 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCn3cc(S(N)(=O)=O)cn3)C2)c(F)c1 517581778 XIPQDRSJEOFPHB-CQSZACIVSA-N 420.470 0.717 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 538598987 LLMCQOVXOAJHDX-CYBMUJFWSA-N 403.501 0.644 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 542075745 WDJBQHCPGBUOPE-HOTGVXAUSA-N 409.450 0.603 30 20 HCED COC[C@H](O)CNC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 549771951 ORFAUNCCBNQHNK-LJQANCHMSA-N 410.426 0.935 30 20 HCED COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H](C)C(N)=O 553615950 SJNNDADUTOGCEU-YJBOKZPZSA-N 405.474 0.357 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 555736375 FAKQEXQZLTXTCR-UHFFFAOYSA-N 410.908 0.138 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 555883582 YGZHZRJINUEHJM-CYBMUJFWSA-N 414.443 0.999 30 20 HCED C=CCSCCNC(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 560671548 XWYYWERARAFVAO-CQSZACIVSA-N 403.512 0.492 30 20 HCED CN(CC(=O)N1CCN(CC(F)(F)F)C(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 560789392 OATCWRHMRSXMBX-UHFFFAOYSA-N 418.397 0.412 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cn1 566538402 DOOUAYWLEACCBM-UHFFFAOYSA-N 407.477 0.263 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 573389687 CHXIFAIHDAXWRC-UHFFFAOYSA-N 415.269 0.363 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C1CC1 575142062 OZUOINCXSGJMGQ-UHFFFAOYSA-N 405.426 0.789 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@H](C(C)C)C3)CC2)c1C#N 577652614 RRYNNLWHWURQRH-WBVHZDCISA-N 402.499 0.569 30 20 HCED CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cncc(C#N)c1 580248980 XZNJTGGVONDDGV-OAHLLOKOSA-N 400.526 0.473 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(C)CC1 586850968 DZNHWSQQCWSWCG-DNVCBOLYSA-N 411.506 0.622 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1=O 587647528 IUIZURCHEQISKK-KRWDZBQOSA-N 410.478 0.284 30 20 HCED C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659383 MTLBBZCLGFFRGQ-AWEZNQCLSA-N 414.510 0.800 30 20 HCED CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC1CCN(CC#N)CC1 588124890 NSQVGOVYJOUEDJ-HXUWFJFHSA-N 412.538 0.999 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 588292411 RDSMQXFXWCZMFS-LBPRGKRZSA-N 419.463 0.920 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 603668085 GFBPFYNZPOADSY-UHFFFAOYSA-N 410.496 0.676 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)cc2)c1N 608924458 HYMXQRUCYZQEGW-UHFFFAOYSA-N 407.478 0.706 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 610807121 NOXKPCRLTPOMMZ-WBVHZDCISA-N 419.551 0.510 30 20 HCED CCOc1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 614464627 ZRRKCDPZRFNLFW-UHFFFAOYSA-N 401.448 0.894 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1Cc1ccon1 618641944 ACMBGTUIXXCTBX-UHFFFAOYSA-N 417.450 0.743 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)c1F 669653007 MOVCNRAPVNNZRD-UHFFFAOYSA-N 417.462 0.661 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)cc1 677221882 XCCCWAVVVUODSV-CQSZACIVSA-N 407.492 0.989 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 726044033 ZKUPTOVENVMLDC-UHFFFAOYSA-N 424.753 0.707 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(COC(C)C)cc2)CC1 728570370 BDEGUNSMFQFWCW-UHFFFAOYSA-N 400.523 0.595 30 20 HCED O=C(CCNS(=O)(=O)c1ccccc1F)NCCN/C(O)=C1/N=CC=CC1=O 732153792 PCXABLKRORXNHZ-MSUUIHNZSA-N 410.427 0.137 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCCOCC 732561280 KGRPWKKQFANOOD-UHFFFAOYSA-N 417.535 0.582 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1 733149269 CRRLXKSTCBSWSS-MRXNPFEDSA-N 420.535 0.415 30 20 HCED COC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 742790908 IVXXIQSESIIDAH-MRXNPFEDSA-N 402.432 0.541 30 20 HCED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 744410489 JSENJCAFCYRYMW-UHFFFAOYSA-N 418.475 0.386 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CCN(C2CCOCC2)C1=O 746905610 HFMCAGSGDNDZMV-AWEZNQCLSA-N 407.448 0.048 30 20 HCED C#CCNC(=O)C1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 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C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)CC1 770266122 RUSJVYNUCVNDFL-UHFFFAOYSA-N 411.455 0.058 30 20 HCED CCOC[C@@H](C(=O)OC)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 772712609 NHTYFWMGJPGXCX-AWEZNQCLSA-N 411.480 0.542 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)Cc3ccccc3CC#N)CC2)CC1 777390293 YQHGJXQXFFEAOS-UHFFFAOYSA-N 411.550 0.992 30 20 HCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 779195311 WLGRHKWQRJMXAK-INIZCTEOSA-N 418.475 0.923 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 783014082 RPZJIOVRTXYTJK-UHFFFAOYSA-N 420.535 0.504 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cn(Cc2noc(C)n2)nn1 786492871 INQLEHBDNJZYKE-UHFFFAOYSA-N 403.380 0.017 30 20 HCED C#C[C@H](NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CCCO1 793933987 GQLBMCMBBNZKNP-DLBZAZTESA-N 414.458 0.877 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)C1=O 798546312 UJSGWVWKWVAKKO-VFNWGFHPSA-N 414.462 0.708 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C 914634309 LMURPNUNAGLSNU-HXUWFJFHSA-N 414.418 0.540 30 20 HCED CNC(=O)Cn1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 918353506 PSDHPOADPMBGRO-UHFFFAOYSA-N 404.452 0.087 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CCS(=O)(=O)C1 918754495 KOISSXDTAHSCAH-CYBMUJFWSA-N 402.494 0.879 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CC(=O)N(C)C1=O 1004332283 PNRPVUHJMXMWAS-JSEZXORMSA-N 404.467 0.110 30 20 HCED C=C(C)CN(CC)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1218327036 ZRYUKJGZOVERFH-JTXQQHNPSA-N 403.523 0.746 30 20 HCED CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1296122092 SQEOBLDLXQRIIA-JXFKEZNVSA-N 420.537 0.884 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCOC[C@@H]3CCOC3)C2=O)cc1 1318584691 HZBAEFRTCQRBBV-WBVHZDCISA-N 400.435 0.933 30 20 HCED O=S1(=O)N/C(=N/C2CCN(S(=O)(=O)C3CCOCC3)CC2)c2ccccc21 1328831291 WYUYYASPXJEDOW-UHFFFAOYSA-N 413.521 0.698 30 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N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H](CS(N)(=O)=O)C3)C2=O)cc1 1671576508 LWOZFUCQNNSKCW-GOEBONIOSA-N 405.480 0.374 30 20 HCED CS(=O)(=O)CC1(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1712695524 XNXOPYCAZPXFHP-AWEZNQCLSA-N 402.480 0.894 30 20 HCED CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC1 1723661203 LWUNDPJJZNEFJZ-UHFFFAOYSA-N 404.496 0.981 30 20 HCED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)OC 1749329676 UZPWTNIVOKKSMJ-SJORKVTESA-N 411.466 0.692 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750063602 QOYVIDWORZKYSB-KUHUBIRLSA-N 414.491 0.962 30 20 HCED N#CC1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1750385732 YXIAULDUYYXBNN-KRWDZBQOSA-N 403.468 0.025 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1761364916 YDYYRRPXNGBNQD-JKSUJKDBSA-N 410.544 0.641 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1778954355 OJDSOYINMFNRGG-PTZOJGTBSA-N 419.482 0.236 30 20 HCED Cc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779063114 PQCYFKVEDCHGAK-JOCHJYFZSA-N 412.490 0.927 30 20 HCED CNc1nsnc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779132952 NMKBKJXAGIBRES-VTTDFXIBSA-N 418.479 0.735 30 20 HCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138036 NSMWELXNEJXWFR-AEPMIWHYSA-N 409.508 0.642 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779138987 HVZMYQTTYQZBAT-IQTGRTGDSA-N 411.462 0.985 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1779262513 CLKWTJCDALDRPN-LZJOCLMNSA-N 401.463 0.278 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C)C1 1779871536 QQFFDXNZMLJGCL-CSODHUTKSA-N 400.479 0.951 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)COc4ccc(O)nn4)CCO3)C2)cc1 1780701093 ZJGCZKXGMLWOAC-OAQYLSRUSA-N 423.429 0.576 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c(C#N)c1 1781174068 LRHINPONMBOELJ-HXUWFJFHSA-N 410.434 0.371 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1781271867 PCODLIBYZBJDML-HXUWFJFHSA-N 405.451 0.865 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(C)=O)C3)C2)c(O)n1 1783140112 XLQANAHKZAKHON-OAQYLSRUSA-N 416.478 0.485 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)n1)CCO2)C(F)(F)F 1783203143 ULOSPKXFWYKFHF-HNNXBMFYSA-N 402.329 0.450 30 20 HCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(CS(C)(=O)=O)nc1)CCO2 1783913591 UHALVRKWVXJAOD-IBGZPJMESA-N 407.492 0.646 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784457739 VDYCKCSFGXFLQE-QFIPXVFZSA-N 406.442 0.737 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cnccn3)C[C@@H]21 1784484594 DWAXNQSQWCRWEA-ATIWLJMLSA-N 415.494 0.295 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784664752 RQWQHSNLQLQVPH-DZKIICNBSA-N 416.482 0.057 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc3sc(C)cn3c1=O)CCO2 1785426345 VTZPEBXFZVENCU-FQEVSTJZSA-N 414.487 0.921 30 20 HCED 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N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCS(=O)(=O)c2ccccc2)cc1 564260539 XXHVZPGOVXPIFW-UHFFFAOYSA-N 421.500 0.817 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 565130804 AXNNHHSZFUFRCO-UHFFFAOYSA-N 400.464 0.618 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 572154086 ZBRVTSQYLZNCIQ-HOCLYGCPSA-N 404.492 0.696 30 20 HCED Cn1cc(CCCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 587465830 IGYFWYIOVNUONQ-UHFFFAOYSA-N 411.466 0.555 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCO[C@@H](C)C3)CC2)c1C#N 588819058 KJDSYXIKFDMUSM-GOEBONIOSA-N 402.499 0.570 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ncc(C#N)cc2C)c1 590224239 QZQAANPOROLULG-GFCCVEGCSA-N 401.448 0.927 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 608230179 IQGVVVGXNMNYAV-SUMWQHHRSA-N 417.491 0.808 30 20 HCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2nccnc2C#N)CC1 608830646 UDZDMMWVYARHIO-UHFFFAOYSA-N 405.436 0.856 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 608890510 IQYOHVMIXSTUEX-QGZVFWFLSA-N 422.441 0.729 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)nc1 609778908 XZVYCRAWWXWEBG-UHFFFAOYSA-N 418.457 0.963 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 609848576 FATBFSPXOREQLR-INIZCTEOSA-N 415.494 0.988 30 20 HCED N#CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 610112261 XRQNTJXVKHRWBL-UHFFFAOYSA-N 408.480 0.184 30 20 HCED CC(=O)NCCc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 614837933 HNCVDPCKCGMRPJ-UHFFFAOYSA-N 418.479 0.597 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 617181311 MKAZIRHGJVVLDI-GDBMZVCRSA-N 405.476 0.577 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 726042939 PMQLOCSAIZDQPL-NIFZNCRKSA-N 405.451 0.836 30 20 HCED CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1F 727616440 CYMJSYFNCFJWMP-UHFFFAOYSA-N 423.401 0.802 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C)c2)c1=O 732665127 XSKMEYLCJIANOF-UHFFFAOYSA-N 403.533 0.132 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 740518260 CWJPNPLPLPEHAB-LTGZKZEYSA-N 422.532 0.921 30 20 HCED CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 741157321 KTJQDMKLYUIDIZ-UHFFFAOYSA-N 404.466 0.187 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCN2C(=O)NC3(CCCC3)C2=O)cc1 744787913 IKTGUYVKTXOBGF-UHFFFAOYSA-N 419.459 0.881 30 20 HCED CC(C)CNC(=O)NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745497766 RSJJUWKKEBNLSR-LBPRGKRZSA-N 424.479 0.529 30 20 HCED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 748428977 WWSAVJXHVTWJPW-CQSZACIVSA-N 419.463 0.718 30 20 HCED COc1cccc(C#CCOC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 749038432 QCCINCSOFXTSQL-OAHLLOKOSA-N 404.444 0.755 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 749638505 MWOKVCNPLQXALR-OAHLLOKOSA-N 411.422 0.484 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 749972120 POYUOIYGAADAFI-MRXNPFEDSA-N 405.480 0.294 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 755326445 LOYHTYGXUSNYOF-INIZCTEOSA-N 423.510 0.519 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)CC1 755900489 ROAWWROVCSCTBW-UHFFFAOYSA-N 412.556 0.750 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC)C(=O)C1 756733973 UQIQALHOABCCBA-HNNXBMFYSA-N 406.508 0.975 30 20 HCED CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1CCCS1(=O)=O 756886055 QZLQQBZHUIRCMK-RRFJBIMHSA-N 414.528 0.922 30 20 HCED C#CCOCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766400235 ZQBZWQSSXVMXKL-UHFFFAOYSA-N 422.503 0.801 30 20 HCED Cc1cnoc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 768607147 UZFFOWHGKGGDHA-UHFFFAOYSA-N 418.431 0.545 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cc[nH]n1 772394681 AIJOWEXNVJHWLZ-IAGOWNOFSA-N 421.498 0.578 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCCN2CCCS2(=O)=O)cc1 773121593 UVEUDEXRKHBVPT-UHFFFAOYSA-N 401.466 0.071 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C 774529184 FSFNGAHOEJDIHR-UHFFFAOYSA-N 424.526 0.775 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)o1 780209470 JOEZXMZCGOIMNV-GOSISDBHSA-N 409.402 0.652 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780891930 CZZNMMWBVXERER-QGZVFWFLSA-N 403.416 0.682 30 20 HCED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 781222348 JFIGWWWLTLNSBH-HNNXBMFYSA-N 422.551 0.809 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 781297596 MBTQLJYWDNHOGT-GOSISDBHSA-N 407.448 0.519 30 20 HCED C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc(-n2cncn2)cc1 785399450 QCYGQJCXZFGEGC-AWEZNQCLSA-N 404.434 0.939 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC 796242786 NSSCSTVWBLIREG-AWEZNQCLSA-N 418.516 0.951 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)o1 796285680 RPZFLTIMYYAHLE-WFASDCNBSA-N 417.466 0.727 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 804055419 NHRFDSNHTPNAFE-WOJBJXKFSA-N 413.522 0.428 30 20 HCED C#C[C@H](NC(=O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@@H]1CCCO1 805531929 QSQZBVYCRXWCRG-ROUUACIJSA-N 402.495 0.917 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCNc1ncccc1C#N)C(F)(F)F 805769719 SIYHGBHDUNENIK-LLVKDONJSA-N 408.406 0.487 30 20 HCED C#CCn1ccc(CN(CC)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 805769940 ZGAFITDJPVKGRF-CYBMUJFWSA-N 409.434 0.870 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccnc1-2 806970865 IWTZEKBZEUGISX-BXUZGUMPSA-N 413.438 0.156 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cc1C#N 808155443 MCSNUBDPWMSHBS-GOSISDBHSA-N 421.457 0.885 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)[C@@H]1CCCO1 809312191 LVRPEQBOUKXDTK-MSOLQXFVSA-N 401.438 0.336 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1)[C@@H]1CCCO1 809312413 NBTZBYMQUQCVKX-ROUUACIJSA-N 420.554 0.226 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(F)cc1 813039613 RBVFGXFMXPZTPC-KRWDZBQOSA-N 413.409 0.310 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)n(C)c1=O 815477861 YZJVFRQHPKDAPO-UHFFFAOYSA-N 422.323 0.576 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 816022777 GYCBNNDDDIHHAT-UHFFFAOYSA-N 414.399 0.367 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1ccc(N2CCOCC2)nc1 816129057 IHVXNLQBLHLSLL-UHFFFAOYSA-N 417.403 0.817 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)cc1 839264378 VYFAATWBNGGIQH-UHFFFAOYSA-N 421.482 0.446 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 852628952 RSVLBPLYMXYZKB-ZLDLUXBVSA-N 414.867 0.145 30 20 HCED CN1CCN(c2ccccc2NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 915785102 JEWSTLQDRSTJOU-UHFFFAOYSA-N 407.478 0.872 30 20 HCED CC(C)NC(=O)[C@H](C#N)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 916945299 LOTSEDUPYHZSAZ-CQSZACIVSA-N 419.507 0.990 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(O)nc1=O 918537379 QEQAXTLAEJEPGG-UHFFFAOYSA-N 402.310 0.495 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC[C@H]1CCCO1 921172524 XWOOYBQUEBMDLD-DZGCQCFKSA-N 409.464 0.719 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CCC1=O 996875742 AEQBYYCZAKWBOC-HYUNPYRHSA-N 403.479 0.755 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 1003081357 GBGZHNPNSCTAFZ-JSEZXORMSA-N 404.467 0.110 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 1116396428 DKFZNHYOAZJGIP-CQSZACIVSA-N 422.334 0.818 30 20 HCED N#Cc1cn(CCC(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(=O)nc1O 1147235564 VKFCVRHJFGQWJD-ZWKOTPCHSA-N 409.446 0.322 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)COc1cccc(Br)c1C#N 1294449449 WWJFELXONOAJAN-ZDUSSCGKSA-N 412.284 0.851 30 20 HCED COCCN(C)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316070132 BXFOZHGYOHFPPZ-QGZVFWFLSA-N 411.514 0.490 30 20 HCED 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O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837441134 TYJDKYFKVIVKPX-QOOAHNBZSA-N 416.482 0.018 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1837493749 VTRSDRWZMQNPSP-GCJKJVERSA-N 420.506 0.178 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560004 HAUFNXAURHLCSU-CMQXEDBBSA-N 421.494 0.562 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1838434862 ZSNSVEUKSAVDNO-FQEVSTJZSA-N 421.538 0.940 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838512321 NNPMSTGCOWPAGY-HRAATJIYSA-N 421.494 0.822 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908375 WXETUAWECPEURT-VFNWGFHPSA-N 414.462 0.153 30 20 HCED CCn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n1 1839224358 QTMCNBRAQLJRJS-OXJNMPFZSA-N 421.498 0.774 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1839227600 UZJPGRCSJBDLIR-QRWLVFNGSA-N 420.466 0.658 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=C)C(F)(F)F)CCO2)C1 1839893166 QQYKFOGCJJJWOQ-CXAGYDPISA-N 419.400 0.252 30 20 HCED Cc1cc(F)cc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044229 RESHWXBYPKPRQI-NRFANRHFSA-N 418.421 0.221 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840564698 HLYREKVQVAJJBY-NRFANRHFSA-N 423.558 0.065 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@H]4CCOC4)CCO3)C2)c1 1840589223 CBODGFLFTCUEJH-HRAATJIYSA-N 416.478 0.773 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1840840026 SCCKFIRWDWVQJA-XMSQKQJNSA-N 414.506 0.861 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CCN2C(=O)C=CC2=O)C1 1841758647 QXUQJJRDSHPHFW-UHFFFAOYSA-N 422.441 0.456 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CCCC23CN(C(=O)C2(C#N)CCC2)C3)nc1 1842256322 QSAGPFZFVCNKRZ-UHFFFAOYSA-N 402.476 0.996 30 20 HCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843972656 KPBKPZAUUCQWMU-GJZGRUSLSA-N 419.478 0.781 30 20 HCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2)NC(=O)OC(C)(C)C 1846935379 MYEKBQAQSLNHOF-CQSZACIVSA-N 423.514 0.718 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1Cc2ccccc2CN1 1847261275 FOVKIGXDIINGGG-KDHUBKHVSA-N 408.502 0.761 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 18021927 HLFLTXMLGQCGLI-SFHVURJKSA-N 406.464 0.665 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1 409479965 ZTMFFPHHCZAKHG-CQSZACIVSA-N 400.526 0.995 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)NC[C@@H]1CCCO1 429898727 PDUKYSULIUEHBT-STQMWFEESA-N 406.468 0.379 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@@H]2CCCO2)nn1C 434811951 AQFJPDMJQXRPQQ-BBRMVZONSA-N 424.465 0.609 30 20 HCED N#Cc1ccccc1N1CCN(S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)CC1 437208626 UEYFBPJVBIYTKO-UHFFFAOYSA-N 412.431 0.819 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)cn2)C[C@@H](C)O1 439346367 YQVPBBDVZUJIMP-HUUCEWRRSA-N 416.482 0.610 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 442408974 QRCXJUVVIOPZCD-UHFFFAOYSA-N 411.455 0.962 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)CCN1Cc1ccccc1 444586597 PKPOBCIMSIATFG-HNNXBMFYSA-N 402.405 1.323 30 20 HCED CCOC(=O)c1c(NC(=O)NCCN2C(=O)CCC2=O)c(C#N)cn1CCOC 460116224 OTXLYWUFUBIVOG-UHFFFAOYSA-N 405.411 0.453 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 460688716 KRUYAEGDLYNAGZ-LJQANCHMSA-N 413.507 0.939 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)NCCNS(=O)(=O)c2cccnc2)cn1 462105377 SZFNMJJTCWDTLH-UHFFFAOYSA-N 412.435 0.634 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H](O)C[C@H]1CO)CCCC2 462335469 XPCSRBSNMZQSJS-JYJNAYRXSA-N 402.495 0.784 30 20 HCED CCOC(=O)c1sc([C@@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)nc1C 465337760 QAGJFPPLVLKTOQ-LLVKDONJSA-N 404.452 1.554 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473395024 ZVOBCWGEFGKGPV-KRWDZBQOSA-N 404.492 0.589 30 20 HCED COc1cc(OC)cc(N2CC[C@H](N(C)c3c(C#N)c(=O)n(C)c(=O)n3C)C2=O)c1 479464283 LKYPKYSSMXVAJJ-INIZCTEOSA-N 413.434 0.215 30 20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481244915 FFTPWSQGVRLBSH-CJNGLKHVSA-N 424.548 0.993 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)c1noc(CN(C)C)n1 481283113 HNCCCXHBIOTQOA-GFCCVEGCSA-N 420.495 0.721 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)C2CC2)CC1 482190066 DKQGTUWKERAIHC-AWEZNQCLSA-N 404.492 0.348 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)C[C@H](C)O1 500199333 TZCHISPZMIMUSZ-HOTGVXAUSA-N 421.523 0.739 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 501561718 NXBMZJXDINPERU-CQSZACIVSA-N 409.468 0.662 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccsc2)c1=O 501768869 DWOYJTAYGHURTO-UHFFFAOYSA-N 419.528 0.952 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 502192001 BNVZOLPLZAHFDD-UHFFFAOYSA-N 412.450 0.667 30 20 HCED N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 502385540 KVALEWZNVAAVRH-IEBWSBKVSA-N 409.508 0.424 30 20 HCED Cc1cc(NC(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nn1CCC#N 505082032 PKNVXIDDGOADRC-LHSJRXKWSA-N 417.429 0.916 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F 508099580 YJXDZHHMCPAXOX-SNVBAGLBSA-N 421.369 0.937 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 508939204 RFMZYFFEZMIPJX-HNNXBMFYSA-N 412.560 0.623 30 20 HCED COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 514090196 SCGHERVYTFBEAZ-LJQANCHMSA-N 407.474 0.976 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCCO3)c1=O 515651569 XWRNQZAMRGHXGH-UHFFFAOYSA-N 409.467 0.649 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 518090023 YPMZFWIZNMNFCA-UHFFFAOYSA-N 406.402 0.101 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 518445142 ATEWQSCNPZQADQ-OAHLLOKOSA-N 418.450 0.436 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 526098437 RQKLVEXRUBDSTL-UHFFFAOYSA-N 424.465 0.813 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)c1 531634983 GJXCGOAUHGTGIZ-HNNXBMFYSA-N 416.521 0.427 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN(S(N)(=O)=O)CC2)n(-c2ccccc2)c1C 533286328 MMMVUYIRAVMGKS-UHFFFAOYSA-N 416.507 0.725 30 20 HCED CCOC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCOCC1 534756284 SHDVMCAXPBRSLU-GOSISDBHSA-N 408.476 0.948 30 20 HCED CCc1c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 539352822 RVSRCFLZWSSKPW-UHFFFAOYSA-N 424.465 0.076 30 20 HCED N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 540687270 HLWIGEZRYAEYDJ-INIZCTEOSA-N 422.898 0.593 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 542126491 XXNHDOBKHXHNOP-OAHLLOKOSA-N 413.486 0.362 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(Cc1ccc(C#N)cc1)C1CC1 542419905 VFWFCWZMBHNTAP-UHFFFAOYSA-N 406.508 0.883 30 20 HCED CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 566522625 PSSPLWXOIAKJCU-GOSISDBHSA-N 420.473 0.595 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567138756 WZXHNQOREQRRIG-DOTOQJQBSA-N 411.462 0.297 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 569746312 IDGJGACIUGRDKC-UHFFFAOYSA-N 407.473 0.556 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCO1 573756231 PDJWPCCFSAYUCS-QGZVFWFLSA-N 414.510 0.219 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2cnccc2C#N)CC1 582821873 CEWMJNNYHVECOH-UHFFFAOYSA-N 414.491 0.670 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 588695038 KXUPHQCSKGMPFA-CQSZACIVSA-N 408.480 0.635 30 20 HCED N#CCCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 611174360 HIAAFECBFXSVBK-UHFFFAOYSA-N 421.523 0.177 30 20 HCED Cc1nc([C@H]2COCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)no1 611533517 JUPBAICXPAEYGF-OAHLLOKOSA-N 401.427 0.268 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)c1C#N 616005629 ZVYWWPNKERBYSC-UHFFFAOYSA-N 419.449 0.468 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)C1=O 673261600 WMLUWGFDUHEDBV-GOSISDBHSA-N 413.453 0.915 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2c3ccccc3CCN2C(C)=O)CC1 733148514 BQRRKAKOUKDTJI-NRFANRHFSA-N 410.518 0.806 30 20 HCED COC(=O)CCCS(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 734090817 DMZXAWGWLUFAIL-UHFFFAOYSA-N 407.452 0.550 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 742797784 GMMDYSBMGHUAHU-INIZCTEOSA-N 415.475 0.175 30 20 HCED N#C[C@@H](C(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)N1CCS(=O)(=O)CC1 744129814 DAWKSWHVLFFSBY-NSHDSACASA-N 405.354 0.602 30 20 HCED CC(C)(C)C(=O)NCc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 744130578 NTZBYOVLNZZPDE-MRXNPFEDSA-N 419.503 0.928 30 20 HCED C[C@H](OC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 745485340 YAZHQPPQKMKAEI-HJORKGSMSA-N 403.435 0.423 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)Nc3cnn(CC#N)c3)C2=O)c1 746433694 ZRAVFUUZXNOCJR-MRXNPFEDSA-N 412.406 0.284 30 20 HCED C#C[C@@H](CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 754389237 YXUCTJWWYHRVMH-INIZCTEOSA-N 409.483 0.967 30 20 HCED C#CCOCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 755936781 LTOFEJCZHNBUGG-UHFFFAOYSA-N 415.512 0.120 30 20 HCED C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 762658697 PUQVHRRZELXJRN-CYBMUJFWSA-N 413.521 0.398 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)S(=O)(=O)CC2 763891160 NXVNTCSMZWWZAY-UHFFFAOYSA-N 405.457 0.694 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 764010072 SDBKMUKAVAHJEP-KRWDZBQOSA-N 418.538 0.917 30 20 HCED CC(C)N(CCCNC(=O)CON=Cc1cnn(-c2ccccc2)n1)S(C)(=O)=O 764566180 PKUDYYWDPZZJJM-UHFFFAOYSA-N 422.511 0.794 30 20 HCED CN1C(=O)CN(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 765153666 KGLOFVBISDLKSI-CPNJWEJPSA-N 408.440 0.430 30 20 HCED N#Cc1c(CCCNC(=O)C2=NN(CCO)C(=O)CC2)nn(-c2ccccc2)c1N 765471800 CSRUEDHOUWYKRE-UHFFFAOYSA-N 409.450 0.346 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 768366037 YYIOAVXHOZRIMN-KRWDZBQOSA-N 422.526 0.640 30 20 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RWZTUVYFWVDKKH-UHFFFAOYSA-N 423.554 0.075 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839223374 UBQJEJJQECXJBT-AUUYWEPGSA-N 407.471 0.589 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3Cl)C2)C1 1839806779 YSLKEXQVDACOCM-FQEVSTJZSA-N 406.866 0.981 30 20 HCED C/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839820084 HNOVMOYLDLNTCQ-YAIFHJTASA-N 409.483 0.938 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840163385 GULXIIOQBXOOQP-DJJJIMSYSA-N 408.524 0.297 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1840292506 UTYJYLDJFXJOQA-NRFANRHFSA-N 402.495 0.842 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)n1cncn1 1840419889 TWGKXYMBIZVAMN-IIBYNOLFSA-N 424.461 0.481 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3cncn3)CCO2)C1 1840421340 PECGSKYGQQHVBX-RHSMWYFYSA-N 413.425 0.507 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)c1 1840594620 LRLAXLPYSOQLGR-HXUWFJFHSA-N 402.451 0.261 30 20 HCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1F 1840813367 VLLJTFBNUWUBMV-FQEVSTJZSA-N 419.457 0.632 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1840841008 YMFLLBUUOFWNJN-NQIIRXRSSA-N 407.511 0.407 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(CC)CC1)CCO2 1840929607 DYVYBRJFMVNXOK-QFIPXVFZSA-N 405.539 0.978 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cc(C(=O)O)ncn1)C2 1842919284 OHOMAICUQGEVCO-UHFFFAOYSA-N 400.439 0.274 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1nn[nH]c1C(F)(F)F)C2 1842920071 ISHWFJVYOOSYLX-UHFFFAOYSA-N 413.404 0.922 30 20 HCED O=C(COc1cccnn1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844303379 VRNHVQUJOPIDAW-NIQDBXHUSA-N 403.439 0.588 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H]2CCC(=O)NC2)C3)c(C#N)c1 1845137845 OPKINLLZHQWLSB-MRXNPFEDSA-N 410.474 0.839 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 5464494 FGQUIIXFOHSHOS-IBGZPJMESA-N 421.475 0.673 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CCO1 409502031 OGJYYCWGOOAZDG-AAEUAGOBSA-N 418.397 0.869 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434915309 SYASQORVQHBECD-CQSZACIVSA-N 414.510 0.865 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 437040892 QSMWCYWLJFLDQN-RHSMWYFYSA-N 403.435 0.625 30 20 HCED CCn1ncc(C#N)c1NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 438238049 LVCCZFUXCFIBDP-KRWDZBQOSA-N 418.435 0.639 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl 441205447 JTZSJYGYTWSTBW-AWEZNQCLSA-N 408.842 0.970 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCOC1 441920760 DKOLXDPXLXJPRW-CQSZACIVSA-N 415.519 0.099 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 446525495 YEXCWHHFOIOFEY-CABCVRRESA-N 421.475 0.700 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 470477706 PEMLZXMWZRXYCE-INIZCTEOSA-N 423.514 0.360 30 20 HCED CC[C@@H](C)[C@@H]1CN(C(=O)c2cnn(C)c2C#N)CCN1C(=O)c1cnn(C)c1C#N 476487712 URMSJYWVHATCOB-ACJLOTCBSA-N 408.466 0.910 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nncn2C)CC1 480188286 FXCFUWKZQNVZDL-CYBMUJFWSA-N 402.480 0.760 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 480799705 BNMDQYIYPICIOL-GFCCVEGCSA-N 422.492 0.046 30 20 HCED C=CCOC[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)OC 481751875 CBFMALDJLMPJOA-DOTOQJQBSA-N 410.492 0.948 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481892485 LCOPIRNTSBUWIF-STQMWFEESA-N 401.510 0.507 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCOCC2)CC1 482489078 JLEDJCGWTDXSQP-HNNXBMFYSA-N 406.508 0.548 30 20 HCED CC(C)OCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482504523 IRDNLLOHIKUTCT-INIZCTEOSA-N 408.524 0.794 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1 488652265 GNSOEOADDHGTNW-MRXNPFEDSA-N 408.480 0.396 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CC(C)C)c1=O 488994779 GKXDHICAZGCBIC-CQSZACIVSA-N 400.504 0.891 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C 489127437 KLVPZTATHGFMPQ-UHFFFAOYSA-N 401.488 0.501 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c(=O)n1C 500543987 IQFDTWSKCZABHQ-UHFFFAOYSA-N 416.459 0.783 30 20 HCED CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CC(=O)NC1=O 502553527 VKPHNVFYVHTSLH-MRXNPFEDSA-N 418.475 0.223 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 507446423 DQWKLGDEWHOPMQ-AWEZNQCLSA-N 404.471 0.544 30 20 HCED COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508345250 WDBKXMDXJMUYAK-UHFFFAOYSA-N 421.211 0.454 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 508847750 LJPYZLJPANYTIO-CQSZACIVSA-N 416.511 0.668 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 510145029 NJDOXYKQSLIVNB-ZDUSSCGKSA-N 401.510 0.162 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 510148838 RACRZEUVHMFNFM-WMZOPIPTSA-N 405.524 0.888 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCCC#N)c2)CC1 510392028 JMRGIEYJDBWRIR-UHFFFAOYSA-N 421.523 0.761 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C1CC1 514490975 GSJKLZRZYIFWRT-UHFFFAOYSA-N 417.437 0.885 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)CC2)cc1 519838215 BZUVXTCYIKMKRZ-IBGZPJMESA-N 400.479 0.514 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)C1=O 521465297 WCCXGHWEUBVCJD-UHFFFAOYSA-N 403.395 0.137 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 538166788 DKKCEADSIPAKNG-AWEZNQCLSA-N 405.451 0.407 30 20 HCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc1 551622379 ZJXXFVDABKNVNT-ZDUSSCGKSA-N 410.496 0.946 30 20 HCED COc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@](C)(O)CO)cc1[N+](=O)[O-] 555093790 XVRGHHGMZWPOCW-GOSISDBHSA-N 403.395 0.854 30 20 HCED O=C(N[C@@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 557069852 MCGJIDPTKOWSJT-SNVBAGLBSA-N 422.345 0.784 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)n(-c2ccc(C#N)cc2)n1 560213115 GWFGXGKJTWDEOQ-CQSZACIVSA-N 422.445 0.901 30 20 HCED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 567285593 ARMNAZCMHMGUBC-OAHLLOKOSA-N 423.477 0.789 30 20 HCED CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 588215882 CICGTNKZNPWCSE-UHFFFAOYSA-N 402.480 0.991 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 590449257 ATLOQQYTYRJBBL-UHFFFAOYSA-N 422.401 0.936 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1F 603552722 WMPLAGPOPMXIEZ-UHFFFAOYSA-N 401.398 0.160 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 615256289 JVDAXOJXOMDGIL-UHFFFAOYSA-N 419.463 0.603 30 20 HCED COC(=O)Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 616499590 NHANIXGIBVVFBR-LBPRGKRZSA-N 402.432 0.974 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)nc1 727623787 MDXYDUZZQOOOOK-UHFFFAOYSA-N 417.433 0.653 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2sccc2Br)CC1 728589997 QPWSWMJQPWXMNZ-UHFFFAOYSA-N 406.327 0.566 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(=O)(=O)NCC)ccc2C)CC1 729257855 UFXDFGQUPJOEHM-UHFFFAOYSA-N 420.535 0.191 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730657363 DDMFAXDJBGOMPP-CYBMUJFWSA-N 424.417 0.958 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCCn3ncc(C#N)c3N)C2=O)cc1 731773239 MMARGSYIAAQISE-LJQANCHMSA-N 412.406 0.356 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)C1=O 739790228 DNQWXHMHKUAFFV-UHFFFAOYSA-N 408.455 0.915 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CC(C)C 743728840 QEIOSJDWLYKXHB-UHFFFAOYSA-N 406.533 0.596 30 20 HCED C#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 744370979 IKNOVEFQELVKKT-UHFFFAOYSA-N 408.524 0.860 30 20 HCED COCCN(CCC#N)CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 744405311 HRHFSHBGBURRMY-IBGZPJMESA-N 403.439 0.355 30 20 HCED C#CCNC(=O)COC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 745499625 KECMQJIQSGSRAH-UHFFFAOYSA-N 400.478 0.047 30 20 HCED CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749774122 CNWQAYLNNSUVEF-HGNXGAGXSA-N 422.507 0.933 30 20 HCED N#Cc1csc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 752586531 KEDYVFNTVKCKGE-KBPBESRZSA-N 412.489 0.971 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3COC4(CCOCC4)O3)C2=O)cc1 753176982 QEYNKUATNJSRJS-ROUUACIJSA-N 414.462 0.880 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CN(C)C(=O)OCc2ccccc2)CC1 756823545 IXPIIWKOAMXZKX-UHFFFAOYSA-N 400.479 0.539 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 756882788 GCUMOHKXIBEESS-RDJZCZTQSA-N 405.462 0.979 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1nnnn1CC(F)(F)F 758393302 JCCXRSXOVFHIFQ-UHFFFAOYSA-N 404.330 0.129 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758757791 HIEJEQJTNNZOJI-MCIONIFRSA-N 415.516 0.469 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCSC[C@H]1S(C)(=O)=O 765643173 SISUWNPFQGFLNR-SMDDNHRTSA-N 417.534 0.171 30 20 HCED COc1ncc(/C=C/C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 775140934 MDBQGTCCQYBZBD-ONEGZZNKSA-N 412.406 0.559 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCNc2ncccc2C#N)[C@@H](C)O)cc1 779500144 PNCQUTGGRHISBZ-RHSMWYFYSA-N 417.491 0.518 30 20 HCED C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 780205921 PNFAOUAYWSOVNF-MEDUHNTESA-N 403.416 0.809 30 20 HCED N#C[C@@H](C(=O)c1cnc2[nH]nnc2c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 783070057 RGKLEKXSBSFUDH-HNNXBMFYSA-N 420.389 0.932 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 783546405 NLQYECNBFCFXAS-UHFFFAOYSA-N 420.484 0.177 30 20 HCED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)nn1 785329798 BWHJSXMHZSELMG-UHFFFAOYSA-N 402.342 0.128 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(C#N)c1C 785661117 XWQOOWMKMFRAIX-HNNXBMFYSA-N 418.450 0.431 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 787601622 FAARWVHEDMASFE-QWRGUYRKSA-N 408.386 0.239 30 20 HCED COCC1(C)CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 789824936 FVGXNXRNWRFXIE-PGMHBOJBSA-N 422.507 0.933 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nc1 792392585 BOCKPXXOMFVGCK-WCQYABFASA-N 424.483 0.870 30 20 HCED C#CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 798803606 YSZPSOQSCWWFCM-UHFFFAOYSA-N 403.460 0.859 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 805092644 QKMPLRBTNBXSNZ-UHFFFAOYSA-N 410.463 0.655 30 20 HCED CC1(S(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 806026400 XFJZPUSOAAEWNQ-UHFFFAOYSA-N 411.505 0.957 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 807376328 UPSWBPBHIOQSLB-CYBMUJFWSA-N 412.443 0.597 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 810782125 XVTFPZCGBHSQQL-SECBINFHSA-N 413.249 0.903 30 20 HCED COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)CCc2c(C)nn(CCC#N)c2C)nn1 811178793 UOOSCLMWZWLRQC-IAGOWNOFSA-N 416.438 0.908 30 20 HCED CNC(=O)CNC(=S)NN=C1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H]1CCOC1 812225357 CZPTUJZGPQKABR-STQMWFEESA-N 413.544 0.846 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC(C)(C)CCO)c1 821573914 JXRRNHFNEILKJS-QNGOZBTKSA-N 410.496 0.715 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc(C2CC2)o1 914889932 QXFSFGICBYZADN-UHFFFAOYSA-N 405.392 0.167 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCOC 916198146 DBADPPATSGVKKQ-UHFFFAOYSA-N 401.488 0.130 30 20 HCED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 918442211 GWIVMXWRAOHBBY-UHFFFAOYSA-N 408.480 0.848 30 20 HCED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1003365603 MVEUAZPOWGBFIL-AUYGFBLUSA-N 415.534 0.631 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(=O)N(C)C 1288160795 VFFKYNKKQYPVBC-OAHLLOKOSA-N 402.503 0.071 30 20 HCED CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1296122900 ZWWMJLHIUBRGJD-DLBZAZTESA-N 418.546 0.171 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O 1301971897 QELYKVAUVUVQBQ-GFCCVEGCSA-N 410.525 0.910 30 20 HCED N#Cc1ccn(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(=O)c1 1307372190 MVDGMSQDSJEDAI-GOSISDBHSA-N 408.414 0.231 30 20 HCED CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1318644013 NETGCIYLDBMCMC-JQIJEIRASA-N 412.855 0.504 30 20 HCED N#CC[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1444636957 JQPCJARYJPNTGL-ZWKOTPCHSA-N 418.519 0.131 30 20 HCED COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1450215524 PCNJQZWPTOOFSM-DYVFJYSZSA-N 416.459 0.521 30 20 HCED N#Cc1ccc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc1 1467102318 QTTRREGRLHZNOJ-UHFFFAOYSA-N 415.431 0.919 30 20 HCED Cn1nnc2cc(S(=O)(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 1475262197 VLGOGDFZGWPEFD-MRXNPFEDSA-N 410.459 0.919 30 20 HCED CN1CCN(CCCS(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1475262313 XZBZIUMWXAIDHH-LJQANCHMSA-N 419.551 0.216 30 20 HCED CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C)(C#N)CC2)C1 1503677298 GLNLOUOODBQROB-HXUWFJFHSA-N 401.515 0.711 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503695542 BCABEQUGNCXQMQ-ZBFHGGJFSA-N 401.515 0.731 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(F)cn1 1541928072 VQZQWIPICJRGTL-ZBEGNZNMSA-N 411.438 0.913 30 20 HCED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](c1ccc(C)cc1)n1cncn1 1631986588 MOHJMBUCDSCRHI-FUHWJXTLSA-N 407.434 0.905 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1687013034 YXWIDXQLMKDRON-ROUUACIJSA-N 406.508 0.588 30 20 HCED CN(C)[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1696598810 ZEYYTQNLJXHJFU-HOTGVXAUSA-N 410.482 0.994 30 20 HCED C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1 1722482296 SOGZXCVZAFRMDY-UHFFFAOYSA-N 422.287 0.939 30 20 HCED O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)=NN1 1778934472 YQHWFSOJXPSZRD-FQEVSTJZSA-N 414.849 0.397 30 20 HCED COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1 1779896132 RDWRYEOUJPBVTM-HXUWFJFHSA-N 416.482 0.211 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cn[nH]c2)CCO3)c(C#N)c1 1781172288 HKAMJPPJTGAPRT-NRFANRHFSA-N 409.446 0.976 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1781390699 NMKCOTWRMXLFOI-KUHUBIRLSA-N 407.471 0.985 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1781393766 VHAJVGSEBOGYJO-OXQOHEQNSA-N 405.499 0.902 30 20 HCED CCOc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1O 1781980692 BBUAPVPYHCTIIN-HXUWFJFHSA-N 402.403 0.322 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1782009604 QCZMQNOMNJEIRU-FZKQIMNGSA-N 405.363 0.403 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccc(O)nn4)C3)C2)cc1 1782675192 OOOVKZRVPFBDOQ-NRFANRHFSA-N 423.429 0.576 30 20 HCED COC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1783215904 RATGDAVCDUMNNT-FWQQEFPFSA-N 423.466 0.299 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1occc1Br)CCO2 1783561860 MJEYMPNJSIQLIJ-INIZCTEOSA-N 411.208 0.574 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(O)nn1)CCO2 1784201648 CFLUWXGFKVLVSN-FQEVSTJZSA-N 402.451 0.585 30 20 HCED CN1N=C(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C[C@@H]32)CCC1=O 1784978404 SXPGDLOEVMBUFD-LNLFQRSKSA-N 423.473 0.760 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785382997 HXVDSEFEYBAAIB-OAQYLSRUSA-N 414.462 0.293 30 20 HCED CC(C)(C)OC(=O)NCCOCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786370015 DEROSDATZFDJAI-JYJNAYRXSA-N 424.498 0.421 30 20 HCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)no1 1786857216 FTFGUPXWKUIUIY-ZOBUZTSGSA-N 403.483 0.858 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)cn3)[C@H]2C1 1787117755 SQAMJXPYNRHKIG-XSLAGTTESA-N 405.499 0.972 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC[S@](=O)CC)[C@H]2C1 1788487366 LTDVBDZIVVKRLD-WKLGKGOUSA-N 400.541 0.716 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)n(C)n3)[C@H]2C1 1789399344 GBUAIAIGCCQPTR-AESZEHBQSA-N 404.467 0.060 30 20 HCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 1791269003 PTVCAKWCHJERCD-LNLFQRSKSA-N 402.495 0.926 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3(O)CCC3)[C@H]2C1 1791819014 OKZIENKARRJJHQ-YPHDOGSUSA-N 405.495 0.130 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)S)C2 1792762319 UMYOTLDXSVWWOT-VJTDZRGJSA-N 401.529 0.808 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794368471 MBRIJWZRSMHKII-JFILPPLUSA-N 419.438 0.179 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(Cl)c(CC)nn1C 1794420205 FKDHOFYCMDTDGC-ZJOBFFGXSA-N 422.913 0.877 30 20 HCED O=C(Cc1ccccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795880459 LJFJYDJDVJMQNO-OPMZPASUSA-N 411.502 0.912 30 20 HCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CSCC(=O)O)C3)c1 1799748748 UVKXEDDZQVRSQK-IVWMJMPLSA-N 421.450 0.718 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncn(-c3ccccc3)n1)C2 1800986191 ZQKARIMGHPRXNI-HGTKMLMNSA-N 401.492 0.789 30 20 HCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1801169321 RKCUXXMAFZMPIT-HGKCTWBKSA-N 416.478 0.041 30 20 HCED COC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 1801200980 USRGZFMRQTXVFB-XEMDLRDOSA-N 414.462 0.436 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Oc1ccccn1 1801363016 XWSWRCDNJZCBNJ-CWLGOENISA-N 401.463 0.477 30 20 HCED C[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1802111683 MRZROMNDWFKWAA-RMYQPGKMSA-N 409.486 0.808 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C2(C)COC2)[C@H]1c1cccnc1 1802478949 VJTWFDIPERCGKV-HTWXZYLJSA-N 412.490 0.982 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1802686459 SVAZVKLGKJPGTQ-ZOBUZTSGSA-N 400.483 0.230 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc[nH]n1)C2 1804374472 WKMGGFLYODMKID-LXTVHRRPSA-N 416.482 0.973 30 20 HCED CC(C)(C#N)C(=O)N1CCCC2(CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)C1 1805043128 OLQIBDQFHAIPEP-UHFFFAOYSA-N 424.567 0.498 30 20 HCED C#CCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@@H]1c1cccnc1 1810095860 WUIVLBINZBWQFR-AYBZRNKSSA-N 402.451 0.565 30 20 HCED N#Cc1cccc(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@@H]2c2cccnc2)c1 1811793188 NXLAZCRTYZDIMM-XSDIEEQYSA-N 419.485 0.996 30 20 HCED NC(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cc1 1812883085 WFVKHZNKKKDEKB-XLIONFOSSA-N 420.425 0.588 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CN2CCCCC2=O)[C@@H]1c1cccnc1 1812977813 VBOOMDDOJCVWAX-IERDGZPVSA-N 412.446 0.188 30 20 HCED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)[C@H]2CCCS2(=O)=O)CC3)CC1 1814479112 JALARZTUIMAIFC-ZWNOBZJWSA-N 408.505 0.936 30 20 HCED C[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)CCC#N)sc2C1)N1CCN(C)CC1 1814498704 RKBZOAHNQXJIPP-KGLIPLIRSA-N 404.540 0.995 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814800619 PVFZOVSILVVVSP-UTUOFQBUSA-N 409.512 0.239 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CCC(=O)NC2)[nH]n1 1815195412 XSAABYHCYOGXPO-IIAWOOMASA-N 401.467 0.966 30 20 HCED O=C1CN(CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC3CC3)CC2)C(=O)N1 1824967485 QYXMBZBLIKEIIZ-QGZVFWFLSA-N 400.479 0.571 30 20 HCED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN(C)C(=O)C(=O)O)CC2 1825130890 RDYQWEXTHIPWDX-MNOVXSKESA-N 408.480 0.810 30 20 HCED COc1ccc([C@@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1830212621 CDPUNQCTKPWELX-QUCCMNQESA-N 403.435 0.099 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)C(C)(C)C)C2)C1 1831404168 JYULLBKQBUMWMJ-WIYYLYMNSA-N 412.527 0.833 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(OC)CCC3)C2)C1 1831437288 BDOUCAHCGHQFGB-LAUBAEHRSA-N 410.511 0.993 30 20 HCED Cc1nccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n1 1831490887 OAXMIOXBDBCSDX-QFBILLFUSA-N 408.524 0.809 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832514123 LSOPVBDVQBTHAO-AITKFJGESA-N 422.522 0.280 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)cc1 1833168206 YFCVVFKOSBJNEZ-JOCHJYFZSA-N 421.457 0.661 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1833468455 SKURUUUQFCMWLB-CQSZACIVSA-N 403.483 0.339 30 20 HCED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1834624717 RWGVEKRYQHMTCG-MAETVRKBSA-N 409.483 0.772 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(N)s3)CC2)CC1 1834764594 SPEPJFSMYGGNIZ-CQSZACIVSA-N 419.551 0.949 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1835108732 GVGDACANRIXDDL-UHFFFAOYSA-N 401.467 0.516 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nc1 1835342461 ZVHPILPOFYABHT-HXUWFJFHSA-N 400.435 0.464 30 20 HCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)ccn1 1835932744 MSIYMCODXSWSOP-UHFFFAOYSA-N 414.462 0.363 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836450857 IOUMAJODGVVKEQ-HXUWFJFHSA-N 412.450 0.578 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837235703 ZCIMMLWFWXMUKV-KJZPAOQPSA-N 416.540 0.193 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnoc3)C2)C1 1837529547 VJBLQYYILLGGBP-AUEQCNTHSA-N 422.438 0.274 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756853 WRDKBNWQECLJTQ-KNNTVDRYSA-N 413.446 0.474 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839890425 ARQWLZPPWQYPMZ-QGZVFWFLSA-N 413.425 0.336 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cccs3)C2)C1 1840041792 IPVVHEWOXBLBGA-RTLBZRNLSA-N 404.444 0.306 30 20 HCED CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)N(CC)CC 1840157298 KQRUDDKRLUXFCW-FCEWJHQRSA-N 401.573 0.882 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840167799 NTWGBFFPSULOMG-OAQYLSRUSA-N 411.462 0.831 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840168533 SPYLKBFAXBAVQW-OAQYLSRUSA-N 411.462 0.603 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3C[C@@]3(F)Cl)CCO2)C1 1840245387 KKXMKQUFMFYYOJ-LSOMNZGLSA-N 418.893 0.940 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(C)=O)C2)C1 1840291466 PZBWVTQVWQPFHI-GHTZIAJQSA-N 407.511 0.551 30 20 HCED CNc1nsnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840811172 ADDIOVOGHZAIEU-GOSISDBHSA-N 420.495 0.344 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ncc[nH]4)C3)C2)CCC1 1840816419 RTZOYSKWWYDHRA-HXUWFJFHSA-N 401.467 0.493 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)c1 1842564595 WQDXBMFIRZGEEG-UHFFFAOYSA-N 422.420 0.768 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2)[C@H]1SC(=N)NC1=O 1843407911 ZPSPBSWIVDVJPC-ZWNOBZJWSA-N 400.464 0.506 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccccc2C(=O)OCCO)C1 1844718322 MECZDBZTMZQQTM-INIZCTEOSA-N 414.458 0.691 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196938 FDCKMKRYRHAWCC-HALDLXJZSA-N 417.462 0.391 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cnc(C#N)n1 14144226 LYPKEVXLGXFWKL-UHFFFAOYSA-N 420.451 0.208 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 409835633 KGVOCILZFLBPPK-UHFFFAOYSA-N 417.491 0.868 30 20 HCED C=CCNC(=O)CNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 434468558 WDAJDDCDGZHVJH-INIZCTEOSA-N 406.458 0.445 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)n1 444584351 WIIBLQQZXITUMU-GOSISDBHSA-N 410.478 0.795 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(c2ccccn2)CC1 465271745 ZLVFJIZKQJFKBL-KRWDZBQOSA-N 406.494 0.603 30 20 HCED C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 469292642 IOHJBNAEDMFRBF-UHFFFAOYSA-N 417.510 1.275 30 20 HCED COC(=O)[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 471490039 YLRCROBAGGLYAS-KRWDZBQOSA-N 421.475 0.359 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3coc(S(=O)(=O)N(C)C)c3)CC2)c1C#N 471706384 QASPQTKBZNITQK-UHFFFAOYSA-N 406.468 0.406 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@@]2(C#N)CCOC2)cc1 478646829 ZQHMFXZDFKFSFR-GOSISDBHSA-N 411.480 0.383 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 481059947 PBBFFLCIRXBGKI-LBPRGKRZSA-N 402.498 0.822 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@](C)(C(N)=O)c1ccccc1 481237166 BGVZGPATMWSHNV-DJJJIMSYSA-N 400.460 0.742 30 20 HCED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481248172 WLSFDGJFQIQENA-XJKSGUPXSA-N 424.548 0.993 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C(=O)N(C)C)CCCC1 482198984 MXMBUPHMGWOXEW-AWEZNQCLSA-N 406.508 0.990 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)s2)c1=O 482550863 GOTANMICHWEJHS-UHFFFAOYSA-N 412.496 0.391 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1F 489126853 VINMGFJZELJRIU-UHFFFAOYSA-N 416.434 0.748 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 490037714 JLBLICFXMGLWQB-AWEZNQCLSA-N 402.498 0.018 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 502293219 SBUYNXIBEKZSRC-IPMKNSEASA-N 400.479 0.533 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 505037232 AYOHHZLUAGJZOV-BBRMVZONSA-N 418.479 0.173 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC 505657098 GJUJJAYUSPVUER-UHFFFAOYSA-N 403.508 0.018 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CCCO)c2ccccc2)CC1 509114265 OJGPXZPOHZJCDX-SFHVURJKSA-N 402.495 0.063 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 510255346 NUDBIYFHKZDAJB-UHFFFAOYSA-N 420.447 0.386 30 20 HCED COC(=O)[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 510671492 SMOQHZCLIJPUKE-INIZCTEOSA-N 420.491 0.029 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCN1Cc1ccccc1 512180932 MIPXSDURLJRZPW-MRXNPFEDSA-N 420.516 0.733 30 20 HCED Cc1c(C#N)cccc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 513061004 FSAAAMYBCRGAAD-GJZGRUSLSA-N 406.508 0.979 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 515899890 UBUNPBKYZLFAJR-UHFFFAOYSA-N 421.509 0.397 30 20 HCED C[C@@H](C#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 521142877 RPTDQVDNPMCOCD-SMDDNHRTSA-N 421.928 0.697 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 523055209 HCSWRRZZGYYKLA-UHFFFAOYSA-N 409.468 0.036 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 524423577 PBXJGSKXHKTBFL-HNNXBMFYSA-N 422.388 0.948 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(OCCO)CC3)n2)c(F)c1 541144365 SNENEVUXYZDYPV-UHFFFAOYSA-N 401.398 0.821 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CCCCS2(=O)=O)n1 541356127 AQLYEWJLANPNRH-LBPRGKRZSA-N 419.438 0.905 30 20 HCED Cn1cc([C@H](CO)NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 542072729 OQZBZEUQTFNNDY-AWEZNQCLSA-N 413.825 0.919 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccc4c(c3)OCO4)CC2)c1C#N 550114004 GOAWRIDBKYVERC-UHFFFAOYSA-N 424.461 0.336 30 20 HCED COc1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)sc1S(N)(=O)=O 552900770 KMYYFWUNFGITKB-NSHDSACASA-N 408.461 0.964 30 20 HCED COCCOCCCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 555779183 NSENWHYZSHHGMJ-UHFFFAOYSA-N 402.495 0.762 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccnn3CC)C2=O)CC1 557767287 PAMKHZNAMLEIBQ-QGZVFWFLSA-N 416.526 0.671 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 559781265 YCRMVOVIMTYLAX-INIZCTEOSA-N 400.479 0.765 30 20 HCED COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N1CC(O)(CC#N)C1 567548458 BBJFGJRUSQIOQS-UHFFFAOYSA-N 403.254 0.814 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2=O)cc1 570428026 XVWSXIFSMCVAKJ-LJQANCHMSA-N 406.442 0.979 30 20 HCED C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 572545594 XPBPNXSYLOLGMH-HOTGVXAUSA-N 412.560 0.893 30 20 HCED Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 588865036 BYHBLHVBOSFKGR-SJORKVTESA-N 421.461 0.662 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@H](C)O1 603576491 SCWUXEOTDCQDQE-HOTGVXAUSA-N 422.507 0.435 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 603997129 WQENFSWCOZNAMK-UHFFFAOYSA-N 409.467 0.821 30 20 HCED C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CCC#N)CCN1CCOCC1 608879377 JSIKAKXQWFNMLG-HNNXBMFYSA-N 403.439 0.788 30 20 HCED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 609159265 FVONVQUTNAXLEV-GOSISDBHSA-N 417.477 0.890 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 609391307 RDFRPXJIZQBLMP-UHFFFAOYSA-N 401.427 0.197 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cn2)cc1 615305955 QQTLOLIUISUTHU-OAHLLOKOSA-N 415.431 0.573 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725949986 JDBAPLGREQGIAX-CQDKDKBSSA-N 407.398 0.345 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(OC)c(OC)c2)C1=O 726043150 KTRMFTDNFUXMLC-UHFFFAOYSA-N 405.363 0.162 30 20 HCED COc1ccc(NC(=S)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1F 727260946 HRYOEUOYWCMVAQ-UHFFFAOYSA-N 405.415 0.841 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729119886 DTIPCJTXUVDXRM-SNVBAGLBSA-N 417.281 0.994 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 729256780 HVNZGZXTNOCILR-UHFFFAOYSA-N 418.519 0.124 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 731524420 FVBDCUAWIPPJBY-UHFFFAOYSA-N 401.379 0.516 30 20 HCED CN1CCCN(CCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733979025 JZCWIMNKQOFUFC-UHFFFAOYSA-N 421.567 0.649 30 20 HCED C[S@](=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 741294598 HXDIOYWFUGIALT-SANMLTNESA-N 411.549 0.900 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@H](C)C(=O)NC(=O)NC 744594657 UFYOEDMTMVBUEZ-MPBGBICISA-N 414.418 0.539 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)c1 747494057 CJGSOMNRUPDLAZ-UHFFFAOYSA-N 407.473 0.793 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)ccc1F 749511934 OBEULRBRLACGGJ-ZDUSSCGKSA-N 419.500 0.444 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])nc3)cc2C1=O 750765271 WNBKSXVZXSQXFD-UHFFFAOYSA-N 416.371 0.891 30 20 HCED C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 751732002 YUGZXPYWLVAMAC-RYUDHWBXSA-N 404.448 0.967 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 756909014 JQWKTVSOCDTIHM-KSSFIOAISA-N 401.492 0.996 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 756920976 SAOIGTLTMBOSIK-YNEHKIRRSA-N 403.526 0.782 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)C1=O 763742510 UQPSFKGMBDAUCL-HOTGVXAUSA-N 401.419 0.314 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C(=O)OC)c2cccc(C#N)c2)c1 764023261 BGTSVJPPTUNDDY-INIZCTEOSA-N 421.431 0.882 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 766608603 SPLXUOXWOUVNEJ-KRWDZBQOSA-N 416.453 0.541 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCSC)c2=O)cn1 772309900 BKRMJESZGZQLMS-UHFFFAOYSA-N 417.560 0.845 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CNS(=O)(=O)c3cccc(F)c3)nc12 782618254 FEHNDFNEFRLQAH-UHFFFAOYSA-N 405.367 0.467 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 782986878 HCQMBIFFECZHGC-UHFFFAOYSA-N 406.913 0.685 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 783479533 CVMCWRRGMIKBOO-LLVKDONJSA-N 414.867 0.945 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)CC1 789430575 LIKFWLJCPQKOIB-GOSISDBHSA-N 412.490 0.998 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)n1 789787448 KDMJJHCKLGRHEO-UHFFFAOYSA-N 407.434 0.711 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 789860418 LETFYIXEQDGANT-UHFFFAOYSA-N 401.536 0.960 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCn2cnc(C#N)n2)C1=O 795183232 HQCJJDDLRYDBQN-HOEZRSETSA-N 412.479 0.224 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O 807135870 RZUJEYUASCTMAI-CQSZACIVSA-N 410.268 0.937 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 810786258 ALSQAQJRSRMYHG-CQSZACIVSA-N 415.449 0.217 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)nn1 812966838 YCHNKLUOVRQOHL-MRXNPFEDSA-N 423.433 0.191 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 816129231 OLPOGSYPZDWMNA-BETUJISGSA-N 418.387 0.223 30 20 HCED C=CCNS(=O)(=O)c1cccc(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)c1 904863599 YGJBWBKIVFVFGW-UHFFFAOYSA-N 419.419 0.123 30 20 HCED CCCNC(=O)CN(C)C(=O)COC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 914818386 AHRUAFAQJDDURR-UHFFFAOYSA-N 414.466 0.678 30 20 HCED COCCS(=O)(=O)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 915645198 FVQSVWHTIAOTTE-UHFFFAOYSA-N 419.507 0.745 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 916868702 QZIZXJHUMIOJHF-QGZVFWFLSA-N 422.507 0.734 30 20 HCED CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 918268342 BAARCZMDPPSSPD-UHFFFAOYSA-N 410.434 0.587 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 918477843 LYACVFPSCMWIQH-XQEBGNCTSA-N 421.523 0.648 30 20 HCED C[C@@]1(C[C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)NC(=O)NC1=O 1117296410 DZEIUYOXZSMYPI-KXBFYZLASA-N 418.475 0.452 30 20 HCED COCCN(C)CCN1C[C@H](NC(=O)c2cc(C#N)c(SC)nc2O)CC1=O 1160604813 OKGRCDGCGVOLLY-CYBMUJFWSA-N 407.496 0.290 30 20 HCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(CS(C)(=O)=O)CC1 1288530203 OEYNVPCHFNANBY-CQSZACIVSA-N 408.528 0.964 30 20 HCED C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1288642166 WUHYKTFVTZPJOL-NVXWUHKLSA-N 423.525 0.773 30 20 HCED N#Cc1cc(Br)ccc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1290491818 IICGDKZZLIHRDG-UHFFFAOYSA-N 421.295 0.937 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1315743689 LKNAVRIFOVVXJC-UHFFFAOYSA-N 421.465 0.289 30 20 HCED N#Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cs1 1355136434 KFCWPSLUIZIQIY-UHFFFAOYSA-N 405.505 0.897 30 20 HCED COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1450216533 SEWFPCSZKABRES-SUMWQHHRSA-N 416.459 0.521 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1517628666 UURGAXJDGVETRK-ZDUSSCGKSA-N 417.495 0.033 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 1556585923 INDPZZLNSPHVBM-GFCCVEGCSA-N 411.484 0.009 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 1556993183 ZOVWQQZSYPZTTA-GUTXKFCHSA-N 406.508 0.910 30 20 HCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1589404941 OERIMPOUNJXASS-VXGBXAGGSA-N 416.301 0.818 30 20 HCED N#CCCn1ncc(C(=O)NCCc2nnc3n2CCNC3=O)c1-c1ccccc1 1596015316 YATYTNOEIXZWNJ-UHFFFAOYSA-N 404.434 0.771 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)n1 1612212407 IXNVIQKAOOWTHO-CQSZACIVSA-N 407.438 0.530 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1618847168 LLCCDKATAPMGDN-MRXNPFEDSA-N 420.495 0.444 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1634583810 XICXWTAHJMXQBC-UHFFFAOYSA-N 405.524 0.902 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1636469139 JUCLMLMUXFWEKG-UHFFFAOYSA-N 407.448 0.473 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CCCC1 1682374815 HSVDYEYYQGAZBO-IRXDYDNUSA-N 412.560 0.323 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(-c2ccccn2)n[nH]1 1686459866 ZBSUACHMGZQCLY-ZDUSSCGKSA-N 404.438 0.949 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1696915246 XXTJAMSCYJSSCB-AWEZNQCLSA-N 423.481 0.724 30 20 HCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1698304468 UWOJFKYZEANPQH-INIZCTEOSA-N 416.507 0.953 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1711387918 NYZANVNZRIRGGY-UHFFFAOYSA-N 405.466 0.975 30 20 HCED C=C(Cl)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1722558702 VSCVQVZICNPIAY-LBPRGKRZSA-N 401.880 0.841 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCN1CCCO 1729071440 XBQOVFWEOQESFK-RBUKOAKNSA-N 417.558 0.838 30 20 HCED COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1749326563 YGHDMCSRLLUGCZ-IRXDYDNUSA-N 417.514 0.352 30 20 HCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cn1 1768649402 XWZKCFONJQGPHG-YVEFUNNKSA-N 423.474 0.782 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779018724 DVCQTLDYMDNAIF-OGTJOQQYSA-N 405.543 0.630 30 20 HCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066801 HIFSSPMYPMHUMK-DYESRHJHSA-N 424.563 0.629 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779696985 KJHKVRNXDYMACR-YRILPIOLSA-N 408.480 0.621 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)[nH]1)C2 1780738664 VRCPRTWCNNUZRC-FOIQADDNSA-N 420.466 0.752 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1780739541 MESDGZPMZJWCGI-FOIQADDNSA-N 420.466 0.752 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1Cl 1781046743 VWKSFSVYVOZMHR-UVFQYZLESA-N 418.881 0.378 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1781391087 NXPWMBKBNUVANO-MGPUTAFESA-N 419.482 0.631 30 20 HCED CN(C)C(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781960298 SZRMSJABSRAKMP-FQEVSTJZSA-N 417.441 0.412 30 20 HCED Cn1ncc2cc(C(=O)N3CC[C@H]4OCCC[C@@]4(CNC(=O)C#CC(=O)O)C3)ccc21 1782010235 IMYDCEVJSPONRN-XMSQKQJNSA-N 424.457 0.789 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cncn2)C1 1782526683 YPHWYIAQICESKY-AXVVYFOYSA-N 405.499 0.944 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]13C[C@@H]1CCN3C(=O)OC(C)(C)C)CCO2 1783056421 ZGFJETVXTNCJMJ-IWMITWMQSA-N 403.479 0.849 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCSCC3)[C@H]2C1 1783497155 BSNQOXXMGBYSQJ-XSLAGTTESA-N 411.568 0.606 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)[C@@H](C)CC)C[C@@H]21 1783529083 CAKWTIVLEJNYMG-DGSHVPJWSA-N 407.511 0.232 30 20 HCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)CCNC(=O)c3ccccc3)CCO2)C1 1783900810 QBWWKRUMHRVOFK-FOIQADDNSA-N 405.520 0.955 30 20 HCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)CCO2 1783924593 SFWIRDYHMQRAKZ-XOBRGWDASA-N 424.498 0.161 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC#N)[C@H]2C1 1786364176 QZUYXFWDJDCKQJ-JONQDZQNSA-N 406.483 0.889 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)N(C)C(C)=O)[C@H]2C1 1787513273 FTRCASXEUHRASA-BVBHFADKSA-N 409.527 0.816 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789345188 YSJBAODSNXJVDU-JHMUCCBASA-N 401.467 0.346 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnc3)C[C@@H]21 1789890548 VZGGKSMFZWWLFA-XSLAGTTESA-N 418.494 0.933 30 20 HCED C=CCCc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](C)O)[C@H]3C2)c(O)n1 1791048594 YTMHHUQKAJXOFL-USJZOSNVSA-N 403.479 0.880 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4cccnc4nc3O)C[C@@H]21 1791077805 WTCSBHNFSGERSZ-BPUTZDHNSA-N 424.413 0.017 30 20 HCED CN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1792999113 GEXRJPCNPILZLO-KVHIUTJSSA-N 422.526 0.589 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ccc(C)cc13)C2 1793342513 ICEBCBJRSNJSIC-LJCCNALRSA-N 410.474 0.884 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C1\C(=O)Nc3ccccc31)C2 1793344646 QVGBXYMLMHPUNH-QBEMTLBBSA-N 423.469 0.650 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1793383408 WGGAHBTYYHAFBC-FAXLKDOZSA-N 407.492 0.968 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C3)CC1 1795411601 AQJGPEXLYCFJFB-YWVIFJGQSA-N 400.391 0.807 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1799394328 FSLNCAKBRSTJQB-NYCLONFESA-N 414.466 0.733 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]n2)C3)c(Cl)c1 1799749492 VPWWQBLIFPDYPY-JJLQDPRZSA-N 400.826 0.847 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cncc(O)c1 1800810735 AHPKRELOOUQAKP-XEMDLRDOSA-N 413.474 0.689 30 20 HCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1803455134 VVPBESGNEYWADF-GCJKJVERSA-N 405.458 0.758 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803646341 NPGZQBHKQYEMRZ-LUKYLMHMSA-N 416.478 0.769 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1806063972 SLNUBKNGCFZFJQ-QFBILLFUSA-N 413.584 0.823 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806849802 YNJUYCPLIHZOLC-GJZGRUSLSA-N 421.498 0.617 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2nc[nH]c2[N+](=O)[O-])[C@@H]1c1cccnc1 1808370237 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0.804 30 20 HCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cn1 1834525772 QTLWYHSJPZXKTP-LJQANCHMSA-N 403.439 0.105 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834601699 YETIOYLCUWZEQX-QFBILLFUSA-N 410.492 0.664 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C(F)(F)F)cn3)C2)C1 1834758946 ZQYUHDZWAOSHRZ-MRXNPFEDSA-N 413.356 0.479 30 20 HCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834854410 WJWQAGWTKKCIHP-YUSOBQLHSA-N 421.450 0.108 30 20 HCED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1835518013 DEODZBJTVQHBRE-JTSKRJEESA-N 414.506 0.542 30 20 HCED C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835805398 FCGQLNRHKIXQES-KRWDZBQOSA-N 412.538 0.899 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(Cl)cccn13)CCO2 1836373950 BZTFDIKTHAHLKF-IBGZPJMESA-N 402.838 0.691 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4cc(F)ccc4n3)CCO2)C1 1836962692 ZLDIHMOROXVXTD-DJJJIMSYSA-N 422.482 0.862 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837362522 IXBBVKRWQCFPBC-QRWLVFNGSA-N 404.467 0.087 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1837396107 CBAKXBDQYDAPCT-BZLDKRAPSA-N 410.511 0.583 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1837400983 RXJHTMDCHIVOIP-FGSXEWAUSA-N 423.554 0.358 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440701 UVLOWYZFHMHILR-WJOMKEERSA-N 422.526 0.506 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837485605 NMUPXZHWQQOTPC-DYESRHJHSA-N 415.494 0.537 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1839226658 CUMCTWPDAPYQAU-JXFKEZNVSA-N 421.498 0.897 30 20 HCED CN1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)C1 1839364286 WVXJYMCEMQCTDS-QFIPXVFZSA-N 412.490 0.384 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnn4c2CCC4)CCO3)c1 1839532989 MREHWBIDIWYQBV-OAQYLSRUSA-N 424.461 0.413 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cc(OC)ccc3OC)C2)C1 1839806836 LGTSIWLIEMNFAN-QFIPXVFZSA-N 416.474 0.726 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839843281 WIPOUPVMRCMOPS-UGSOOPFHSA-N 407.427 0.600 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840157348 LUKQBENWKLYKHJ-QRWLVFNGSA-N 403.504 0.875 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840173741 PAPQLYVFWQTXBO-BXKJMJEDSA-N 417.462 0.485 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1840291801 GOFGAEVMNNHEQN-QFIPXVFZSA-N 421.538 0.943 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c1 1840325678 NBKOUNRJKCAHKT-FQEVSTJZSA-N 412.450 0.312 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484355 NCAXBHXPLMKNNU-PEPAHJGKSA-N 420.535 0.901 30 20 HCED COC1(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CCC1 1840616896 GYBZPHDJODRQBJ-NRFANRHFSA-N 416.478 0.916 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(C)=O)C2)C1 1840908946 KFHMVDKAIKIVCB-UZLBHIALSA-N 409.483 0.379 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1841582565 KPYKGQWZMGGEQL-LEBHLANCSA-N 410.496 0.230 30 20 HCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1848298463 GATOGHVBXLDRQU-JGZMQXIKSA-N 415.450 0.525 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C(=O)NCC)nnc12 25681460 ZMDLBTLMTVNWQC-LBPRGKRZSA-N 414.491 0.963 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 32832340 UJQCCJMLHUBQMH-LJQANCHMSA-N 403.508 0.919 30 20 HCED Cn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1 428077612 XHVLMDYTHIXUJS-RXBISOJRSA-N 409.449 0.694 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2OC)c(=O)n1C 429798896 LFQFMMASHHYRSV-UHFFFAOYSA-N 423.498 0.670 30 20 HCED N#Cc1csc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 437669783 DWQCOBIRVSXHBX-UHFFFAOYSA-N 405.505 0.897 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 447890898 NGSWVWUYIFLNMA-MSOLQXFVSA-N 414.462 0.434 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)cc1 473194924 KODIOLPMOLPCSQ-HNNXBMFYSA-N 416.478 0.637 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 473488430 KEKNJZZXDSHBKY-MRXNPFEDSA-N 417.510 0.664 30 20 HCED CCO[C@@H]1C[C@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1(C)C 476862038 UQLOUOIKTWPPAG-CRFBAAHOSA-N 409.508 0.907 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CS(=O)(=O)c2ccc(C)cc2)C1=O 479277602 ZKGHFKPHGDLXEI-CYBMUJFWSA-N 407.448 0.250 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nnc2n1CCCCC2 480461996 PNLLUQFNGJRSSO-AWEZNQCLSA-N 416.507 0.902 30 20 HCED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4ccc(F)c(C#N)c4)CC3)ncnc21 481007800 USFFGWPYSWCZCH-UHFFFAOYSA-N 408.397 0.661 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 481033897 KNSKXFBPIAVHLR-CHWSQXEVSA-N 414.509 0.905 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(CCN(C)C)CC1 482162738 IRTFHFVNUUXXSO-INIZCTEOSA-N 421.567 0.615 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-c2nnc(C)o2)CC1 491031817 FKLFIHUSJINFHA-UHFFFAOYSA-N 412.450 0.430 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 497773056 WZCBRZGDTZOQIG-UHFFFAOYSA-N 407.496 0.595 30 20 HCED Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1C#N 498528823 KIYKCKVYEQSZJS-UHFFFAOYSA-N 414.447 0.807 30 20 HCED COc1cnccc1[C@@H](C)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 503012646 XGHAVFKGGGTAQF-CYBMUJFWSA-N 411.466 0.530 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)N1CCc2ccc(C#N)cc21)C(F)(F)F 507030802 AKPDEDMDMNPFJG-CYBMUJFWSA-N 418.397 0.386 30 20 HCED COc1cc(C)c(Br)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508350489 RIDHLEZUUWXALQ-UHFFFAOYSA-N 407.228 0.984 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508861841 FBWMNWMFZWYEOJ-INIZCTEOSA-N 414.514 0.234 30 20 HCED C=CCn1c(-c2ccoc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508887088 HEYDYPAZBDTTQM-UHFFFAOYSA-N 400.439 0.232 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCOC1 511658845 MLMIJDQAZAATSM-UKPHBRMFSA-N 423.491 0.700 30 20 HCED N#C[C@@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CCN1Cc1ccccc1 511749939 FJBBCGXZRPNTKJ-MRXNPFEDSA-N 402.480 0.157 30 20 HCED Cc1nnc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 512662286 ZDKCJIBBPALRMT-UHFFFAOYSA-N 401.448 0.817 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)C1=O 522170382 MBYUKBVVLTWWTP-AWEZNQCLSA-N 419.507 0.130 30 20 HCED C=CCCOCCCCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 540507251 GQOXJRBMOCEKRU-UHFFFAOYSA-N 402.561 0.386 30 20 HCED C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 542995346 GRWSEUMWACTWSJ-KFNAQCHYSA-N 410.409 0.947 30 20 HCED CN1CC[C@@](O)(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 545156634 YZRDHUWKOTYQGK-LJQANCHMSA-N 406.508 0.142 30 20 HCED CC(C)(C)c1csc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1C#N 550666383 DYEYPUNVETXBPW-NSHDSACASA-N 413.521 0.864 30 20 HCED Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC(=O)NCC#N 553307732 DTTWQSBOVVUBMT-UHFFFAOYSA-N 402.148 0.877 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 557732859 FOQVVTPSHHUROP-IAGOWNOFSA-N 408.543 0.533 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1cccnc1C#N)C2 560057782 FWKRPIGYRAPZJL-UHFFFAOYSA-N 406.489 0.951 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCc4c(O)cccc43)CC2)c1C#N 561177889 YUIWJQANDUYROG-KRWDZBQOSA-N 408.462 0.758 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)n1 561937428 MWUNNBOYPHVKEX-QGZVFWFLSA-N 410.482 0.346 30 20 HCED CCn1cc(CN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 563651892 QFMDEVRJKRVZGM-GOSISDBHSA-N 408.462 0.650 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)c1C#N 564501136 XTVNMFNJTKUOGQ-UHFFFAOYSA-N 412.479 1.260 30 20 HCED C[C@@H](N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1)C(F)(F)F 571606052 CATIFWMFMKJWFN-GFCCVEGCSA-N 404.414 0.932 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 573952867 SADYIYGIYLRHCQ-QGZVFWFLSA-N 413.478 0.878 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccco2)c1=O 581896315 KBBTZRBXLLIZGS-UHFFFAOYSA-N 405.476 0.195 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)n1 589407911 NHYPZNNPXBOABM-HNNXBMFYSA-N 421.461 0.985 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 603578151 MWDQJKDUVWNSTA-INIZCTEOSA-N 423.521 0.962 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 604188007 QUQHAKSFWBMFFO-MRXNPFEDSA-N 415.494 0.430 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C(=O)NC4CC4)CC3)CC2)cc1 604540925 YXZLGYMSHBHNGS-UHFFFAOYSA-N 402.476 0.450 30 20 HCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 608911868 TZIFUUHMUJPFMC-UHFFFAOYSA-N 414.462 0.096 30 20 HCED COc1cc([C@@H](C#N)NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc(OC)c1OC 611250093 XSCSWXVQGPEGCY-CABCVRRESA-N 418.450 0.520 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 618842253 KIMGRXJVNYTPEI-SFHVURJKSA-N 411.462 0.258 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619356375 FUXQRBFGDFWAAT-NRFANRHFSA-N 411.462 0.994 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)cc1 673175467 RISSFDSFKBPEMG-CYBMUJFWSA-N 408.480 0.156 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(F)(F)C[C@@H]2CO)cc1 682340251 DJIICTFAPHJXQF-CYBMUJFWSA-N 417.434 0.660 30 20 HCED C#CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403757 MWEVTZQGSWCFJA-ZJYNUGOYSA-N 420.516 0.436 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(=O)OC)c(OCC)c2)CC1 728531757 IVMMJSYYVDLMPZ-UHFFFAOYSA-N 417.462 0.144 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 731127425 DSLHFDZGOVMJFB-UHFFFAOYSA-N 400.479 0.554 30 20 HCED CN(C)S(=O)(=O)CCCOC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 731918137 YKJQMHCYPQSIMU-UHFFFAOYSA-N 417.509 0.330 30 20 HCED CCOc1cc(C=NNC(=S)NCC(=O)NC)ccc1O[C@H](C)C(=O)N(C)C 731929070 LXEXTQJCUVDKTJ-GFCCVEGCSA-N 409.512 0.485 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(Cc3ccc(OC)cc3)c2)CC1 733149920 YJYJYEOVGDCSSN-UHFFFAOYSA-N 409.490 0.837 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 734433576 CABZKPIWDAWZBH-PXNSSMCTSA-N 416.909 0.753 30 20 HCED C[C@@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743997220 ZLNVVPHQGGLVJP-JPDJOPTESA-N 410.496 0.573 30 20 HCED CN(C(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C1(C#N)CCCCC1 745482203 NICMPNTYULLKNK-BQGCOEIASA-N 403.435 0.377 30 20 HCED Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 750336659 HKKAYKBDVMDGNC-CYBMUJFWSA-N 419.463 0.757 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2cc(C(N)=O)no2)c1 752683761 CULCYGSTPJTVFO-JCMHNJIXSA-N 420.451 0.908 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 754316015 VNHDWIAKSDAMOW-UHFFFAOYSA-N 413.927 0.953 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CCN2C(=O)CCC2=O)c1 754772764 JWXHTHLMXSRQKZ-UHFFFAOYSA-N 414.237 0.665 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)cc2F)c1=O 758076815 QZHRFLGPOVPBDA-UHFFFAOYSA-N 417.437 0.477 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)CC1CC1 766620865 KXLLINKZMGRLSA-UHFFFAOYSA-N 413.521 0.446 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)CNC(=O)OC(C)(C)C 766830780 FLEWAOPKAHJXDX-ZDUSSCGKSA-N 417.470 0.026 30 20 HCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCF)C1=O 767738730 PHJBBITUHDDHIJ-SFKFPXOQSA-N 416.500 0.630 30 20 HCED C#CCN1CCN(C(=O)CN2CCc3cc(OC)c(OC)c(OC)c3CC2)CC1 769944583 YZLFUUFECHFFCE-UHFFFAOYSA-N 401.507 0.890 30 20 HCED C#C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 775385477 IGBCBVUVQHDJOV-HNNXBMFYSA-N 407.492 0.296 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(O)c(C(=O)O)c2)CC1 777437793 LPZXSEOSSSGXHL-UHFFFAOYSA-N 419.463 0.868 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 780052136 XVLPVHJPVPNVFV-INIZCTEOSA-N 413.478 0.683 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNC(=O)NCCCC#N)cc1)S(C)(=O)=O 784411853 PRVRKKLMEHTZGC-UHFFFAOYSA-N 418.497 0.394 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)CC1 796180307 PABMWTIZWMPOCQ-QGZVFWFLSA-N 422.526 0.296 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796272518 CLOIUKPGQOKFDE-GFCCVEGCSA-N 412.424 0.424 30 20 HCED C#CCC[C@@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 798413098 QEAZJWCLFDEVSP-IAGOWNOFSA-N 402.499 0.356 30 20 HCED COCCN1C(=O)/C(=C(\Nc2ccccc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S 799135264 BDUWYKVEABXQGM-BSHRGCEOSA-N 420.422 0.625 30 20 HCED C=C[C@H](NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C(=O)OC 799978449 GRVMWMFDSAORCH-AWEZNQCLSA-N 406.482 0.108 30 20 HCED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCNc1ccc(C#N)cn1 801686118 AXUREYRQSZFUKG-UHFFFAOYSA-N 410.477 0.756 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)c3ccc(S(N)(=O)=O)c(N)c3)C2=O)cc1 803706285 JMFJABZPQRXFTE-HNNXBMFYSA-N 400.416 0.750 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)C1=O 809330232 VGDGPRLUXORFNZ-BQIYRTECSA-N 400.479 0.573 30 20 HCED CNC(=O)CNC(=S)NN=C1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@@H]1CCOC1 812225353 CZPTUJZGPQKABR-OLZOCXBDSA-N 413.544 0.846 30 20 HCED C#CCN=c1nc(N2CC[C@@H](n3cccn3)C2)[nH]c(N2CC[C@@H](n3cccn3)C2)n1 812485450 SVBCYZXEUNIVMC-IAGOWNOFSA-N 404.482 0.634 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CC(=O)NCCOC)C1=O 914556348 ZBZNNJQVPKCJCW-ZDUSSCGKSA-N 414.434 0.795 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1C(=O)CNC1=O 914617460 ZPNBOEAWVOUCOI-ZDUSSCGKSA-N 422.463 0.235 30 20 HCED N#C[C@H](C(=O)NC1CC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919667021 PPSYKWAYQQBDCD-ZFWWWQNUSA-N 417.443 0.611 30 20 HCED C=CCNC(=O)NC(=O)CNC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1112481660 SEDPVRPWYCCAMI-DSSLJFPKSA-N 416.522 0.640 30 20 HCED CCc1nn(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)c(C#N)c1CC 1116022877 BRZBEEPTTSUOEM-UHFFFAOYSA-N 402.476 0.960 30 20 HCED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(N2CCOCC2)n1CC(F)(F)F 1117135231 JDDKAHWNECIYAG-JTQLQIEISA-N 411.406 0.141 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1292704220 QXFJHOVJMCONQH-MSOLQXFVSA-N 417.485 0.421 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)N2CCN(CCC#N)CC2)CC1 1311646621 KRCDWMKJORJETM-UHFFFAOYSA-N 408.503 0.307 30 20 HCED N#Cc1cccc(-c2nnc(N3CCOCC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1316531280 NKTATCKBOPOGMC-UHFFFAOYSA-N 417.491 0.593 30 20 HCED COCCS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)NCC#N)c1Cl 1346974508 IMCJFVHJNNJLIN-UHFFFAOYSA-N 408.263 0.783 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1359473964 LJNNGSAZRKWSSZ-CVEARBPZSA-N 424.571 0.887 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1454255541 MDNIXDXXZQUGSN-CQSZACIVSA-N 402.480 0.307 30 20 HCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@H]1OC 1519502933 ZMGANVKKXJSWIW-UEXGIBASSA-N 412.494 0.733 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 1556586144 NSVKILXEIKXFLG-AWEZNQCLSA-N 401.423 0.482 30 20 HCED C[C@H](C(=O)N1CCC(CC(=O)N2CCC(N(C)C)CC2)CC1)n1cnc(C#N)n1 1586690266 JBQZNJAVJMWPFD-OAHLLOKOSA-N 401.515 0.892 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 1616923611 GZBLURRXVOHHMD-IEBWSBKVSA-N 417.558 0.959 30 20 HCED N#CCCN1CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 1671006247 YARASINVERNNEW-UHFFFAOYSA-N 419.276 0.907 30 20 HCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1722785452 YGGRCUNAFYMNMC-UHFFFAOYSA-N 402.480 0.530 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1749831155 WXVIKFNYEBIBFN-UONOGXRCSA-N 410.500 0.030 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)n1 1761959919 LGRUQZUGYVQLFS-OAHLLOKOSA-N 419.511 0.705 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778957688 SMQRWOOTCFJUEX-QRWLVFNGSA-N 424.498 0.033 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3[nH]nc4ccncc34)CCO2)C1 1778970629 GTYIYLZQYIZMOS-IIBYNOLFSA-N 413.478 0.975 30 20 HCED 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30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839224325 IQODRQPHGXRYTL-UZLBHIALSA-N 421.498 0.220 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380220 DQCKSEJUKUAPMX-QFIPXVFZSA-N 423.473 0.751 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839842020 JFMINNZDXHQUCR-GUYCJALGSA-N 422.400 0.761 30 20 HCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc(F)c1F 1840044918 HAJUXUDZAWVCRT-FQEVSTJZSA-N 422.384 0.431 30 20 HCED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1C 1840158190 HFTCCOKZMHRAOW-LIRRHRJNSA-N 409.508 0.787 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1840160215 BKONCESPXNQXJI-DIFFPNOSSA-N 418.466 0.746 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840174538 KMASDYLNKBLVGM-CSODHUTKSA-N 405.495 0.420 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840454514 IKCCRYLLQKAFTM-DOXZYTNZSA-N 409.508 0.624 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814509 NNYAOSYFRMBDAJ-FQEVSTJZSA-N 401.467 0.790 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1841031538 PGNFPCXBOQVUCZ-QRWLVFNGSA-N 405.495 0.831 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413171 UGNVURHKYKVBEI-OAHLLOKOSA-N 403.570 0.570 30 20 HCED O=C(COc1ccc(O)nn1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302845 QSLWRSYDEIPTQS-HGMDMCOWSA-N 419.438 0.293 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CCCC23CN(C(=O)C#Cc2ccccc2)C3)no1 1844308568 JOKZEXMWKNECBY-UHFFFAOYSA-N 406.442 0.968 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845182147 RJNBCSUYFKMFHO-VTJXTGGHSA-N 420.510 0.794 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1nnc2ccccc21 1848001878 LAPKZGODANTNBU-ROUUACIJSA-N 409.494 0.915 30 20 HCED C[C@@H](C(=O)NC(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 25176104 YHOCKKIGTFELMY-ZDUSSCGKSA-N 405.480 0.241 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CC)CC2)c1 52052916 WMCJNYSXEOZEGB-UHFFFAOYSA-N 401.510 0.258 30 20 HCED Cn1c(N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(C#N)c(=O)n(C)c1=O 301153879 OSUNCUNITGYZRY-UHFFFAOYSA-N 405.817 0.711 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)N(CCC#N)CCN2CCOCC2)ccc1C 429261275 FBPNVDCUAUDGHB-UHFFFAOYSA-N 409.512 0.983 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cn1 440093448 ADFFTYFAOJOASP-CHWSQXEVSA-N 408.340 0.992 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1=O 440276171 LVQHBCAECLZPFS-ZDUSSCGKSA-N 413.883 0.927 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 446525496 YEXCWHHFOIOFEY-GJZGRUSLSA-N 421.475 0.700 30 20 HCED C=CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 467287601 IGCKJBRIYBJXHP-UHFFFAOYSA-N 409.508 0.799 30 20 HCED C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 467992469 GDRDZWBDFGLTRH-FPHDVWFLSA-N 409.446 0.153 30 20 HCED C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469519285 QKXKVHLCHBUELI-BGTOTAHLSA-N 422.485 0.774 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCNC(=O)c3cccs3)CC2)c1C#N 472042704 FJUKGLDLIVFOQV-UHFFFAOYSA-N 401.496 0.923 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)CC2 473865258 PYPXNOVGUXSEES-IRXDYDNUSA-N 408.462 0.918 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCN(Cc2ccccc2)S(C)(=O)=O)c1=O 478524045 VSVQNSLCLCVNDE-UHFFFAOYSA-N 420.491 0.006 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 491076868 FFLDBSGZESXQQB-UHFFFAOYSA-N 421.404 0.545 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)CC2)nc1 501613688 SGTBYMBUDMCRSR-LJQANCHMSA-N 410.522 0.983 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 506132415 UDPVKLLVMWTXGM-UHFFFAOYSA-N 401.533 0.125 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1=O 509929610 MTXBHHNROXQWSP-UHFFFAOYSA-N 411.418 0.736 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 510534515 QRAPSUFCTQHJPD-AUUYWEPGSA-N 420.491 0.744 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 511799053 CKXWDLBFYKGXOG-KRWDZBQOSA-N 418.498 0.073 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[S@@](C)=O)cc1 524203385 FGBKCTGVFDTZOJ-RUZDIDTESA-N 401.510 0.316 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CCO)COC)nnc12 532686515 FCRRZJIGDIBFSF-CYBMUJFWSA-N 417.491 0.836 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 535894244 ILLOZUCUKBOJRW-UHFFFAOYSA-N 405.426 0.792 30 20 HCED Cn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CC2 540549969 RBLBDRIFQZMDAB-FQEVSTJZSA-N 424.480 0.687 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)nn1 545500412 RSMQCMUYPVBADV-HNNXBMFYSA-N 417.447 0.325 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 550500370 ANLZYNREMKIWDY-UHFFFAOYSA-N 406.446 0.278 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)Cn1cccn1 551151204 GKZVCRVMJRJHEU-YJBOKZPZSA-N 408.462 0.424 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 561958007 OCERWICSDLWSRY-UHFFFAOYSA-N 402.495 0.490 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 583964170 WVENWKVQWAOVKY-UHFFFAOYSA-N 400.460 0.691 30 20 HCED COc1ccc(OCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 585693353 GSLXDHFMXUVGJO-UHFFFAOYSA-N 400.439 0.458 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1 585726204 HLMXRTWMURQBMT-AWEZNQCLSA-N 409.450 0.469 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)cc1 588289791 ULMVJYULSYYHHR-LBPRGKRZSA-N 402.498 0.775 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 590013285 XDUZHAWWXFPYSC-UHFFFAOYSA-N 407.413 0.829 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C1CC1 590997982 COHARVKALRCDRV-UHFFFAOYSA-N 405.426 0.789 30 20 HCED CN(CCS(=O)(=O)NC1CCN(CC#N)CC1)S(=O)(=O)c1ccc(F)cc1 609334329 MBKMOBPDNSEMML-UHFFFAOYSA-N 418.516 0.354 30 20 HCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc12 610700705 ZWXUDFRWAHIQKX-LBPRGKRZSA-N 419.449 0.614 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cn1 613094290 KBVPGZAWOXTQIF-UHFFFAOYSA-N 422.449 0.437 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN(CC)S(C)(=O)=O)cc1 617257861 FHAHEZUYPHIXEO-UHFFFAOYSA-N 403.526 0.552 30 20 HCED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 727233009 BRQNWXXWBHLOAZ-UHFFFAOYSA-N 420.535 0.859 30 20 HCED Cn1c(=O)c2nc(Br)n(CC(=O)c3ccc(C#N)cc3)c2n(C)c1=O 728157829 VJJHNMKTCSDXDT-UHFFFAOYSA-N 402.208 0.951 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 728531164 AUVHINKVTBFBFV-UHFFFAOYSA-N 413.453 0.198 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 729257108 ROBFWZBPLWOJMM-UHFFFAOYSA-N 410.434 0.678 30 20 HCED N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909659 DIYOGTQCUKEVTK-IRXDYDNUSA-N 417.487 0.505 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)NCC(=O)Nc2cc(C)ccc2OC)CC1 735940351 OUYRNZLSWOOIRD-UHFFFAOYSA-N 401.463 0.947 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 741341879 SRNBWGMXMBUSHB-HNENSFHCSA-N 414.374 0.944 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC[S@@](C)=O)CC2)ccc1F 742184705 YZPVACZOZAFZFL-AREMUKBSSA-N 417.528 0.426 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)CC2)o1 744647885 CPBAQCRBBWEIDY-OAHLLOKOSA-N 404.345 0.750 30 20 HCED CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(NS(C)(=O)=O)cc1 747040195 CQSKBXVVHSMFLB-UHFFFAOYSA-N 413.569 0.969 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N(CCC(N)=O)c2ccccc2OC)CC1 747820279 RXDXVCBVYCPMNS-UHFFFAOYSA-N 400.479 0.365 30 20 HCED C#CCNC(=O)C1CCN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)CC1 754032517 OFMMIGRPMCUVOJ-OAQYLSRUSA-N 414.550 0.640 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2OC)c1=O 758052461 DNBURVMLSSBKEL-AWEZNQCLSA-N 411.483 0.206 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C[C@H](C)C(=O)OC)cc2)CC1 759379419 LEIHPLRZVOOCNJ-HNNXBMFYSA-N 413.474 0.965 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2CC2CCOCC2)cc1 768495981 NYHXORHWCADJOR-UHFFFAOYSA-N 421.479 0.921 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770841192 YTEJDTNQLFZLOI-ADLMAVQZSA-N 424.816 0.718 30 20 HCED C[C@@H](OC(=O)C#Cc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 773461334 SYENZNHQDUHEAE-OAHLLOKOSA-N 400.456 0.976 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 773794291 UFJAMHNESVOPJK-IAGOWNOFSA-N 405.476 0.707 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)[C@H]1CCCO1 774840890 GKYMXDMRXOZVKW-SLFFLAALSA-N 415.490 0.482 30 20 HCED C=CC[C@H](CO)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 775568115 PIKWPMMHOYXKQE-ZFWWWQNUSA-N 408.476 0.925 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1)[C@@H]1CCS(=O)(=O)C1 783481624 QWMQOBBKAAVEGR-RHSMWYFYSA-N 419.503 0.802 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 783547700 QJBRQUDYEYVWRA-UHFFFAOYSA-N 410.901 0.853 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 784197599 AQPVFYYCQTYEGW-OAHLLOKOSA-N 401.467 0.729 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2OC)[C@@H]1CCS(=O)(=O)C1 790958104 RFZUXCUTMOYDFW-CJNGLKHVSA-N 406.460 0.744 30 20 HCED C#CCN1CCN(C(=O)CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)CC1 792895183 LDVXYJQSDLKZAC-UHFFFAOYSA-N 404.536 0.072 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cc1C 795078584 ZZNYPEATPKPQRJ-UHFFFAOYSA-N 409.493 0.560 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)C1=O 798664332 AACUJFKGJMDJJE-VQIMIIECSA-N 408.476 0.772 30 20 HCED C#CCCCNC(=O)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 806916299 WWGFLSHGQLGRTD-UHFFFAOYSA-N 403.479 0.886 30 20 HCED O=C(NCCS(=O)(=O)CCNC(=O)[C@H](F)C(F)(F)F)[C@H](F)C(F)(F)F 816523532 UKFVJLIJIZHALB-WDSKDSINSA-N 408.267 0.434 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCCN(O)C1=O 816755327 XXBSMANJJCVERE-STQMWFEESA-N 419.500 0.722 30 20 HCED CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 816994538 YQRLODVZOCFCJY-UHFFFAOYSA-N 401.448 0.993 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 916713280 UTWJPRDCHOEUPA-YSYRGXBVSA-N 414.509 0.808 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C 917779499 BZQLZZHWKYZTNP-UHFFFAOYSA-N 405.483 0.931 30 20 HCED Cn1c(N2CCOCC2)nn(CN2CCN(c3ccc(C#N)cn3)CC2)c1=S 918729099 BKNTYXMEFLRXJU-UHFFFAOYSA-N 400.512 0.834 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(C)c(C)nn(C)c1=O 1000573081 CVPYRWNTTGXQRS-NRKLIOEPSA-N 400.479 0.850 30 20 HCED N#CCCn1ccc(NC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)n1 1215361635 YXNVJQGLZYGXKF-UHFFFAOYSA-N 401.471 0.765 30 20 HCED N#Cc1cccc(CNC(=O)CS(=O)(=O)Cc2nnnn2CC(F)(F)F)c1 1320776922 OMYNXQSKGSGHIU-UHFFFAOYSA-N 402.358 0.338 30 20 HCED Cc1nc(-c2cnn(C)c2)sc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1341787210 MLBYHOPXFNVYLN-LBPRGKRZSA-N 407.477 0.432 30 20 HCED CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1499983087 YPNJNSAXRRFDES-GJZGRUSLSA-N 405.503 0.697 30 20 HCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1516856448 RWZNPAFGXKGJQG-SRGMZFCMSA-N 416.573 0.787 30 20 HCED COc1cc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)ccc1S(C)(=O)=O 1666779696 TZCPRLAXIBOWEE-WCQYABFASA-N 403.482 0.218 30 20 HCED CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1696688462 NXIPBFXXAXWVGQ-UHFFFAOYSA-N 406.454 0.594 30 20 HCED CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750535782 XOUBDMNSVDUVBX-DZGCQCFKSA-N 408.528 0.128 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1778970226 YIKDGANPJVEPCQ-DNVCBOLYSA-N 410.902 0.940 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1778970418 BQMBRRINLIVTCS-IERDGZPVSA-N 413.478 0.746 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccccc1 1779190541 POYNFIIHYVOIAH-PGRDOPGGSA-N 412.490 0.682 30 20 HCED 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30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(C)c([N+](=O)[O-])cn2)C1 1843516258 FWCYDCOYJMQQCL-WAYWQWQTSA-N 413.434 0.974 30 20 HCED C=C(C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1)C(F)(F)F 1844287802 QUABQNWEYVKJJU-CYBMUJFWSA-N 406.357 0.803 30 20 HCED CN(CC(=O)N1CCCC12CN(C(=O)CCc1cccc(C#N)c1)C2)C(=O)C(=O)O 1845808665 RSCVPQUYVNECMX-UHFFFAOYSA-N 412.446 0.237 30 20 HCED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 7401655 MZGOJDUAQYRZRR-UHFFFAOYSA-N 406.460 0.583 30 20 HCED N#CCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 10792554 DUVPNQXXOLOFJM-UHFFFAOYSA-N 415.855 0.548 30 20 HCED C[C@H](Cn1ccnc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 47027434 IREBMJRCBIORKO-OAHLLOKOSA-N 402.480 0.859 30 20 HCED CN(CCCNC(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)S(C)(=O)=O 51621570 OUSWZXSSJPYUSQ-UHFFFAOYSA-N 407.540 0.074 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 409569717 IWFCXPFJOOITEU-UHFFFAOYSA-N 404.514 0.133 30 20 HCED CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1C#N 428267039 VEXNSQPHUCHCCW-CQSZACIVSA-N 400.526 0.473 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C)(CN2CCN(C)CC2)CC1 430399784 HTAPHHQGMRIEPL-RTBURBONSA-N 406.571 0.960 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 431990381 FPBYNGAZPYMGIL-UHFFFAOYSA-N 419.441 0.694 30 20 HCED CCn1nc(C)c(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)c1C 438241384 RDEFTIOUMJKHDN-UHFFFAOYSA-N 407.500 0.995 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O 440283043 OCEURFUYDDPLSY-INIZCTEOSA-N 422.507 0.557 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 443070238 AALSOORLYNTQOQ-UHFFFAOYSA-N 400.464 0.365 30 20 HCED COCc1noc(CN2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 444730294 FFFIZPOHJKMKRI-KRWDZBQOSA-N 419.530 0.026 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 461371656 HSASHORFICEDGW-UHFFFAOYSA-N 405.426 0.872 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1 463324466 HSLJTWGIKXYWEA-HNNXBMFYSA-N 404.517 0.765 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 464414131 GYIGESROMGPNBJ-UHFFFAOYSA-N 405.523 0.224 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)c1 469929150 SLUPCOIRDSOBCB-UHFFFAOYSA-N 408.480 0.634 30 20 HCED CCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1c1ncc[nH]1 471073137 UASREOLZLMRECI-KRWDZBQOSA-N 412.498 0.605 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnn(C4CCOCC4)c3)CC2)c1C#N 472196315 LZEXCPHWZBDPCT-UHFFFAOYSA-N 419.511 0.659 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC(C#N)CC3)cn2)C[C@@H](C)O1 475682236 PEFANLMFVKJFPF-OKILXGFUSA-N 402.455 0.220 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 479834728 BSHJWVUBLKKWCY-FQEVSTJZSA-N 402.520 0.841 30 20 HCED CCCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480439067 BWJVJMPNTILGOU-CQSZACIVSA-N 406.508 0.990 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 482174171 GVCAEHMLSPEBKK-WMZOPIPTSA-N 420.535 0.796 30 20 HCED CN(C)c1ncc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 488635029 DLVUWNHFFCTJNK-MRXNPFEDSA-N 407.434 0.270 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC[C@H]3C(=O)NC[C@H]32)CC1 500161593 FLMDKEWVPFGIDR-GDBMZVCRSA-N 424.461 0.665 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2cccs2)c1=O 502049420 MZFBEBNVTIZYOX-UHFFFAOYSA-N 411.512 0.535 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)C(C)C 503408479 IMLMVSKVWPGSGO-KRWDZBQOSA-N 404.519 0.226 30 20 HCED CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cc21 506580544 OOKFBADMQFNUMX-UHFFFAOYSA-N 403.414 0.949 30 20 HCED CC(C)N(CCCNC(=O)CN1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 507294650 DOAIZCGXZAMYRG-UHFFFAOYSA-N 421.567 0.857 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cn1 507559555 FDCYTBKDCMYJGE-UHFFFAOYSA-N 413.525 0.380 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 507734401 WRULAMHJJKMHNW-GOSISDBHSA-N 407.559 0.830 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 508260893 UYQPRUOKPCHYOZ-CQSZACIVSA-N 409.512 0.984 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 508811143 RPXWYBRYQJUUHL-MRXNPFEDSA-N 403.531 0.737 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C(N)=O)C1 508831496 DGRNQXLTIDDFLT-OAHLLOKOSA-N 420.495 0.072 30 20 HCED C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511919836 NWSMQCHNMVCCBI-LBPRGKRZSA-N 403.468 0.826 30 20 HCED CCN1CCN(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512761019 VHWGZEBYLSUMMT-UHFFFAOYSA-N 413.457 0.575 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 520001906 HDZDZICFQDCRGR-UHFFFAOYSA-N 422.488 0.726 30 20 HCED CC[C@H](C)[C@@H](NC(=O)COc1ccccc1C#N)C(=O)NCCN1CCOCC1 521073196 JNZQNLUNUIFHIV-OXJNMPFZSA-N 402.495 0.916 30 20 HCED C=CCN(C[C@@H](C)CN(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533387792 QMVYJOJCWRRVEW-BCDXTJNWSA-N 404.598 0.973 30 20 HCED CCN1CCN(c2cc(C#N)c([N+](=O)[O-])c(N3CCN(CC)C(=O)C3)c2)CC1=O 543479977 IJMXIZQZEPNYRK-UHFFFAOYSA-N 400.439 0.803 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)C2)c(F)c1 553166524 KQNKVVWMTFVFLP-HUUCEWRRSA-N 409.487 0.555 30 20 HCED COC1CCN(C(C)(C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 567433022 VKGRCGDYIDUOTR-UHFFFAOYSA-N 408.524 0.842 30 20 HCED COc1cc(CNS(=O)(=O)c2cncc(C#N)c2)ccc1OCC(=O)N(C)C 571605116 WEADRKIHTPQGMD-UHFFFAOYSA-N 404.448 0.907 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 572167481 HBHHDJLCHMPHJN-UHFFFAOYSA-N 415.472 0.906 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3nnc4n3CCC4)C2)c(F)c1 573464079 MXMULKFANZJFHC-CQSZACIVSA-N 411.441 0.636 30 20 HCED CC(C)N1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 575843428 OWHOTSRMLOGPFB-GOSISDBHSA-N 419.551 0.463 30 20 HCED C=C(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 576643743 UZXXKHIGQNAPPU-UHFFFAOYSA-N 402.499 0.629 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)N1C 577536014 OJCYAHRHEBNKNP-CALCHBBNSA-N 419.551 0.416 30 20 HCED CC(C)[C@@](C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(N)=O 580589578 ICKCSJSJTBLPMK-LJQANCHMSA-N 406.508 0.975 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C 588700582 YYSCFYHQCQURRO-WCQYABFASA-N 422.367 1.564 30 20 HCED C[C@H]1CCCCN1C(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 588954678 CIQRAGMVKQPDQP-KRWDZBQOSA-N 419.551 0.746 30 20 HCED CCn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)CC2 589406438 BIEIYOSIGQDMHG-UHFFFAOYSA-N 418.417 0.239 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCc2nnnn2C2CC2)c1C 611189155 JKEDFZNAIHTYMA-UHFFFAOYSA-N 405.422 0.937 30 20 HCED CC(C)CCNC(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 727751786 WMYJUYGERRTLHW-CQSZACIVSA-N 424.548 0.789 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CC)c2)c1=O 732663778 GEFIPCVIRVPCEU-UHFFFAOYSA-N 417.560 0.615 30 20 HCED CCCS(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 739204450 WDHNSCYKAHFGOD-CYBMUJFWSA-N 401.510 0.996 30 20 HCED CC1(C)CN=C(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)S1 740716558 YGIKPJPLKWAQCD-UHFFFAOYSA-N 421.548 0.751 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCCN(C)C)cc2)CC1 747993949 RSNXILUPDJMSJK-UHFFFAOYSA-N 400.479 0.554 30 20 HCED C#CCCCC(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 759174480 YVXMBAASNDWBDB-UHFFFAOYSA-N 408.476 0.670 30 20 HCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N=C2C[C@@H](C)ON2)c1OC 765385826 XCJLUMMIDKCMGK-LLVKDONJSA-N 413.452 0.577 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)[C@H]1CCCO1 773784593 BQGGXLQNIMDTLP-HZPDHXFCSA-N 422.459 0.502 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1)[C@@H]1CCCO1 773800761 VSRBACSIGBRICW-PMACEKPBSA-N 412.490 0.586 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 783478465 CQDMOKBEHRDGBP-QGZVFWFLSA-N 414.487 0.713 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCOC)c(F)c1)[C@H]1CCS(=O)(=O)C1 783481153 NSXGEFWVOSTEQW-AWEZNQCLSA-N 412.439 0.438 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(c3ncccc3F)CC2)c1=O 783979637 LEDQOQCSCKDRIV-UHFFFAOYSA-N 416.457 0.248 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 784925815 IPOQKJBUNWSQNI-RELWKKBWSA-N 414.487 0.923 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786553267 TVXMKCMAISXFBY-SXXASDTRSA-N 409.442 0.873 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1 787753789 KADUWWFFOFROSP-UHFFFAOYSA-N 421.505 0.420 30 20 HCED CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787759497 OISQSFHOUZIGTJ-FQEVSTJZSA-N 401.467 0.919 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)Nc1sccc1C#N 789110991 COZONVQBCHMXEO-QGZVFWFLSA-N 420.447 0.717 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)n1 789794766 LAKOGHVQXSKLMR-UHFFFAOYSA-N 411.462 0.971 30 20 HCED CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 796376769 KIMVJNIWVBESNF-PHODEOQFSA-N 408.455 0.655 30 20 HCED C[C@@H](CC(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 799034125 MKHLXAPUIPNWOV-SCRDCRAPSA-N 406.464 0.461 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800900058 JICYYPPDILAEFG-ZDUSSCGKSA-N 411.509 0.232 30 20 HCED Cn1cc(S(=O)(=O)NN=C(C[C@@H]2CCCO2)c2ccc(F)cc2)c(=O)n(C)c1=O 811645580 RZNWQNLNUNYGBR-AWEZNQCLSA-N 424.454 0.475 30 20 HCED N#CCCCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 812615792 NFYNCWSQQGEQAI-QGZVFWFLSA-N 401.419 0.734 30 20 HCED CON(C)C(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 812713476 JYQUUBBCFSYHKM-CYBMUJFWSA-N 422.507 0.762 30 20 HCED CN(C)c1c(COC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)c(=O)n(C)c(=O)n1C 814060452 JVGDHQKMBLCDMM-QGZVFWFLSA-N 411.462 0.734 30 20 HCED CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 815540847 MSYADGKSUJCOPO-ZDUSSCGKSA-N 423.433 0.742 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCN3C(=O)CCC3=O)CC2)cc1 913243115 WENKZNJTYJJNDI-UHFFFAOYSA-N 419.459 0.651 30 20 HCED 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C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@@H]1C 1541105738 MLFMXNWADHLKQQ-ILXRZTDVSA-N 413.548 0.205 30 20 HCED N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cn[nH]c2)CCO1 1555995733 SGZBNFCKJSKSNR-AWEZNQCLSA-N 412.479 0.964 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@](O)(CC#N)C2)cc1OCC 1570695142 NHTUKWUKGYPXJM-SFHVURJKSA-N 411.480 0.639 30 20 HCED COCCN(CCC(=O)OC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1641743863 RMKRNIYNNPYMRI-INIZCTEOSA-N 408.524 0.968 30 20 HCED COCCN(CCOC)S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1665589701 QGRKATBTQZEBPG-UHFFFAOYSA-N 400.476 0.659 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1698491388 ZWEBGPINJYXTAE-GJZGRUSLSA-N 422.511 0.068 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1767707533 KBVBFJOYAALTKI-DYESRHJHSA-N 410.478 0.929 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1778269584 ADJYGTDIKJQZHA-QFIPXVFZSA-N 412.442 0.472 30 20 HCED 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N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1834763528 NNPGOQYMQBYBMS-HXUWFJFHSA-N 410.434 0.455 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)OCO3)CCO2 1835169051 RXSGYMJMJNVVBB-OAQYLSRUSA-N 415.446 0.718 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](N)[C@@H](C)CC)CCO2)C1 1835591691 BFDWGFPTPPJOLF-OPOADAIRSA-N 411.543 0.389 30 20 HCED C=CCC(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836996162 UUHNGUIXEWXSCR-UHFFFAOYSA-N 403.479 0.876 30 20 HCED COc1nccnc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837292323 MSHAXNRXXXRQOD-UHFFFAOYSA-N 416.434 0.185 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1837395117 PQRQQEHQHSSIGM-OXJNMPFZSA-N 407.467 0.626 30 20 HCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1)[C@@H]1SC(=N)NC1=O 1837635049 YOEADFFVBFFVGQ-WBMJQRKESA-N 421.523 0.701 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366859 YWDPVAJYRBODRG-KDOFPFPSSA-N 410.496 0.207 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)N(C)C(=O)OC(C)(C)C 1839075294 JJGHPMRMWYEHAX-FOIQADDNSA-N 424.498 0.612 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1839173722 ILMBWSCWOVLCSX-FQEVSTJZSA-N 418.450 0.056 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn3C)C2)C1 1839224721 XJQGSBLLYRCUJX-JXFKEZNVSA-N 406.483 0.896 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)cc1 1839362106 YJKQGJIHLLXLTB-JOCHJYFZSA-N 421.457 0.926 30 20 HCED COc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813431 ZMVFMBDWZLQCDK-NRFANRHFSA-N 414.462 0.854 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1 1840814533 OJKQTWAKENLYBS-FQEVSTJZSA-N 415.450 0.249 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CCc1ccc(O)nn1)C2 1842921104 KVYAWWVVFVWTHW-UHFFFAOYSA-N 400.483 0.600 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1 1843250009 ANHAUSUGSMKGMI-YEWRBRKMSA-N 404.423 0.839 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2 1844252275 XLYWKSREGQDXED-UHFFFAOYSA-N 418.570 0.793 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412156 VXFXKFJHCUUKPE-MRGVZLDZSA-N 406.399 0.664 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)N1CCN(C)CC1 1845098995 RQTWLKCWYMNVEL-CPQSRKOASA-N 421.542 0.355 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)C2(C#N)CC2)C3)C1 1845105032 AEAJGJHUTVQJJM-LSDHHAIUSA-N 418.494 0.721 30 20 HCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1846256030 KNFQPVWSBHGQND-UHFFFAOYSA-N 408.495 0.299 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1847801308 OSNUWBSNEUDZSI-COXVUDFISA-N 405.476 0.339 30 20 HCED Cn1c(N2CCC(C(=O)NCCc3cccs3)CC2)c(C#N)c(=O)n(C)c1=O 63282153 KJFQCXZSSZDIOM-UHFFFAOYSA-N 401.492 0.592 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)CCO1 409595142 OYHYQPNNSKURRK-CYBMUJFWSA-N 400.423 0.042 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(CC)C[C@H](C)C#N)C1 410139655 CXTJYHUWPLYZFV-HUUCEWRRSA-N 402.517 0.446 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 430082270 YYJRCHDWMBOAGE-UHFFFAOYSA-N 407.496 0.834 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 433143881 JXTFLQSZSXVWNP-JTQLQIEISA-N 407.370 0.897 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1)S(N)(=O)=O 439543774 RPKRJMXVGDZALS-ZDUSSCGKSA-N 416.459 0.869 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](C)C(=O)NC)cc1 442044760 LSVGDBLFBNQDIY-ZDUSSCGKSA-N 410.496 0.272 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CNC(=O)C1 442377055 GRAORFMZERRBIB-HOTGVXAUSA-N 421.461 0.903 30 20 HCED Cc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1S(=O)(=O)NCC#N 444387572 XIDAVVKHBGQYFS-HNNXBMFYSA-N 408.524 0.714 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447227048 ONORWQRMDHUNPB-GFCCVEGCSA-N 403.870 0.961 30 20 HCED CCn1c(N2CCOCC2)nnc1S(=O)(=O)CCOc1ccc(C#N)cc1OC 462965294 CLNRJWJZJUDMEV-UHFFFAOYSA-N 421.479 0.868 30 20 HCED COC(=O)[C@H](CC(F)(F)F)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 463120738 SILYWILLDOOWSB-SKDRFNHKSA-N 407.370 0.835 30 20 HCED N#CCC1(O)CN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 473378796 ZTHJCJWCPKQJST-UHFFFAOYSA-N 407.370 0.741 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)Cc2ccccc21 481291653 LHKSBKSPWAYRMD-AWEZNQCLSA-N 412.471 0.931 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3C(=O)NC4(CCCC4)C3=O)C2=O)cc1 486010741 ZUFNQSOULLZSOW-MRXNPFEDSA-N 409.446 0.640 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486633836 WAWZNWCMNINWRF-DLBZAZTESA-N 420.491 0.521 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@@H]1n1cccn1 494010749 LFBRTLBUWRJXCZ-KYJSFNMBSA-N 420.433 0.809 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCc2c(C)nc3sccn3c2=O)c1=O 505473421 ILHBCNZQMDEIKU-UHFFFAOYSA-N 401.448 0.164 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506336459 DZJDISRTFKITID-HRAATJIYSA-N 422.526 0.640 30 20 HCED C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511919598 NWSMQCHNMVCCBI-GFCCVEGCSA-N 403.468 0.826 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CCN(C)CC1 518724332 VXUROYXKTYYEHT-UHFFFAOYSA-N 412.515 0.434 30 20 HCED CCN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)CC1 519491811 NBNUSXJGIHQDOG-UHFFFAOYSA-N 405.524 0.908 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2occc2C)c1=O 525777866 HANBHYQRLKONJD-UHFFFAOYSA-N 419.503 0.504 30 20 HCED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCCC1 532657996 HPGLGZYJHKUVDQ-UHFFFAOYSA-N 423.495 0.027 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 537153459 GMTCKPZTJDFHTB-UHFFFAOYSA-N 415.479 0.447 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 539268510 SZHWJLWRYJOQMB-GFCCVEGCSA-N 411.480 0.375 30 20 HCED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)O1 540365182 IOCWYWWZVBOAFP-BXUZGUMPSA-N 410.377 0.850 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCc3cn(CCOC)nc32)CC1 544798533 BOETWYYWYBWHPJ-KRWDZBQOSA-N 404.515 0.536 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 545257311 JZMMBWKBIDNGCO-OAHLLOKOSA-N 415.475 0.509 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1C#N 551043149 MTGRQOHXRWGJCR-HNNXBMFYSA-N 408.480 0.776 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 551831777 SBEBSPNJUHSIAW-UHFFFAOYSA-N 402.432 0.811 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(CC(=O)OC)C2)cc1 552457019 DTUZXYHZFAYITI-OAHLLOKOSA-N 409.508 0.766 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(Cl)ccc2OC)CC1 560236583 ZMUCLZZWQULRLZ-UHFFFAOYSA-N 408.886 0.411 30 20 HCED CC(C)c1nc([C@H]2COCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 564522178 WNILTGMPDXZDOM-OAHLLOKOSA-N 419.463 0.943 30 20 HCED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588127887 SIBWCSZBUUPCOE-QZTJIDSGSA-N 404.559 0.108 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 589295224 GPOFHDJCAJLZCB-QGZVFWFLSA-N 406.508 0.550 30 20 HCED COC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 616004176 AEJRQQQYFZXXJB-UHFFFAOYSA-N 424.461 0.983 30 20 HCED COC(=O)CCn1nc(C)c(C=NNC(=S)NCCCN2CCOCC2)c1C 727058587 BKMYDJIFCUDEDD-UHFFFAOYSA-N 410.544 0.583 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(C)(C)CN(C)C 727162405 CFBMKEORRPDPPD-UHFFFAOYSA-N 415.563 0.959 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 731526964 ZHWTWSOTYXNLKX-LBPRGKRZSA-N 415.406 0.904 30 20 HCED Cc1cccc([C@H](CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC(N)=O)c1 732910789 SDNODZXUNMFGQC-GJZGRUSLSA-N 406.464 0.060 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 741428416 ADDCCGFUYNPYOO-UHFFFAOYSA-N 415.475 0.309 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 744666030 DXOBVNIGGUISGV-CJNGLKHVSA-N 423.447 0.819 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(C[C@@H]2CCCO2)CC1 745400336 YSPBEOBPOXFAMA-HNNXBMFYSA-N 406.508 0.438 30 20 HCED N#Cc1ccc(F)c(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 745892878 HXQCBCAQWMVAQV-UHFFFAOYSA-N 401.398 0.200 30 20 HCED CNC(=O)CC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 746359690 QPLQNNUBMNKRRA-UHFFFAOYSA-N 406.508 0.880 30 20 HCED CCOC(=O)c1cnn2c(O)cc(CN(CCC#N)CCN3CCOCC3)nc12 746477697 BYRRGGBZENSTBY-UHFFFAOYSA-N 402.455 0.659 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)CC1 747822658 BMBYRMASMAPETL-SFHVURJKSA-N 409.552 0.406 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 747994129 YVXXCFKUEJRMFR-UHFFFAOYSA-N 412.446 0.565 30 20 HCED C[C@H](CC(=O)N1CCN(C[C@@H]2CCOC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 749510349 YMARKZXQFWZAGF-CVEARBPZSA-N 420.535 0.684 30 20 HCED CS(=O)(=O)CCOCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753150555 BWWUOSPNSQWZGW-INIZCTEOSA-N 408.480 0.020 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1 759895202 FNAWLBWRIUYBAW-SFHVURJKSA-N 422.551 0.420 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2cn(-c3ccccc3)nn2)cn1 763425028 HYRDYCOPLXORRW-UHFFFAOYSA-N 413.401 0.975 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 764425394 PBPUDVZRYTWJRJ-ZDUSSCGKSA-N 413.521 0.541 30 20 HCED CC(C)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC1 767634636 FIOLWCJWMIQGOY-WMLDXEAASA-N 423.491 0.652 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@H]1CCCO1 773792861 FWUIKAAPGAGYFA-IAGOWNOFSA-N 407.492 0.951 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(CCN2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 783478917 GOVAYCRSHYMALC-LJQANCHMSA-N 417.531 0.912 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)CC1 787481135 RGSUEPAABJMYEH-UHFFFAOYSA-N 411.462 0.451 30 20 HCED CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)CSCC#N)c1 788065599 ALUMXQLQLXAFOY-UHFFFAOYSA-N 411.914 0.652 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 806765166 TYHRQLFFPSOQSO-AWEZNQCLSA-N 416.482 0.631 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1)[C@@H]1CCCO1 809305713 IJDBGDNZDGOQDD-BTRQGYIVSA-N 418.538 0.123 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1)[C@H]1CCCO1 809305980 LSQCYZYXTIHYBQ-LSDHHAIUSA-N 405.417 0.397 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCCS2(=O)=O)c1 917690979 SQFVHFHUQHNKFI-SDXDJHTJSA-N 414.509 0.473 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)c1 918342829 TUBUNYJGRDCCEP-UHFFFAOYSA-N 411.414 0.918 30 20 HCED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 997357370 KRLYOVUKRIMMOB-FTWQHDNSSA-N 400.523 0.494 30 20 HCED COC(=O)C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1116231084 QXKSUUPTBRFNEF-CVEARBPZSA-N 414.418 0.554 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1251338215 PMZBDJOKUXEOEA-OAHLLOKOSA-N 404.492 0.841 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1316349338 SGXNDHBKBXFPEP-HNNXBMFYSA-N 423.520 0.485 30 20 HCED CNS(=O)(=O)c1ccc(Br)c(C(=O)N(CC#N)CC(=O)OC)c1 1319007736 SNHWJWHDFLIUSA-UHFFFAOYSA-N 404.242 0.496 30 20 HCED COC[C@@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1320915069 HJWKXPHJWJGNJZ-RISCZKNCSA-N 402.856 0.955 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(O)Cc4ccccc4C3)CC2)o1 1322015395 DVZGMTQIEUBBGH-UHFFFAOYSA-N 410.430 0.576 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCC(O)CC1 1449705199 PSDJRHSFHXXXLW-KRWDZBQOSA-N 422.551 0.857 30 20 HCED CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706634793 YRDJYIDJQVSKPI-HZPDHXFCSA-N 414.514 0.320 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1748277983 MTAXAEZOUARQRG-MRXNPFEDSA-N 416.507 0.966 30 20 HCED CC#CC[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccccc1 1778940078 VEROBAQZAWACEV-FDDCHVKYSA-N 422.485 0.889 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1779062235 JTNJTRSLHZFRBU-QFIPXVFZSA-N 403.523 0.611 30 20 HCED 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418.519 0.962 30 20 HCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)COC1 1839777414 OSFLXWBMAIEMCJ-XZEIMLRBSA-N 422.526 0.341 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1839807374 WEQUJIVZWHXWMJ-FQEVSTJZSA-N 413.409 0.110 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839866569 FGXXHIAPIBMPIJ-IERDGZPVSA-N 407.511 0.571 30 20 HCED COc1ccc(OCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1 1840157593 VLYLBMKKVBIFEU-YWZLYKJASA-N 424.519 0.849 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C2)C1 1840172535 UFGZZRLJVDDSLQ-HXUWFJFHSA-N 411.499 0.886 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 5364975 AOTPJGHJYYVDEF-BLVKFPJESA-N 408.455 0.678 30 20 HCED N#Cc1c(CCCNC(=O)[C@H]2CCS(=O)(=O)C2)nn(-c2ccc(F)cc2)c1N 48162958 BOXPZHAZEBXDOR-LBPRGKRZSA-N 405.455 0.949 30 20 HCED COc1cc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)ccc1OCC(=O)N(C)C 52219805 BGWPXBBBAAPSSD-UHFFFAOYSA-N 401.423 0.043 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1 111224196 KODHNXJSPFQPDS-SFHVURJKSA-N 408.524 0.917 30 20 HCED CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)nc1 409566928 GEZCYHZOCWLGHJ-MRXNPFEDSA-N 423.495 0.240 30 20 HCED CN1CCN(C(=O)c2cc(=NS(=O)(=O)c3ccc(C#N)c(F)c3)cc[nH]2)CC1 427783046 UDQQUJSPJIGIAY-UHFFFAOYSA-N 403.439 0.703 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)NC[C@@H]4C3)CC2)cc1 431587441 WIQVKNDQWQENJT-MRXNPFEDSA-N 417.491 0.195 30 20 HCED Cc1c([C@@H]2[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC(=O)N2C)cnn1C 432989057 NTQJKTMCMDFNNK-MUKKUYKPSA-N 422.493 0.647 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 435306395 LNNRVZMLHLDMKD-VXGBXAGGSA-N 405.455 0.626 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CN2CCOCC2)C1=O 440274720 RDBIVJJCXGXYJL-GOSISDBHSA-N 400.479 0.703 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1 444516409 ARDFZOFYHROBNN-INIZCTEOSA-N 408.462 1.404 30 20 HCED Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460602780 UQMVROJUXMSUEC-UHFFFAOYSA-N 421.417 0.915 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 460936619 ZJRFSSRSGOKBNF-QWHCGFSZSA-N 405.546 0.478 30 20 HCED CC(=O)Nc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 468854006 GGHWETITXOKGBP-LBPRGKRZSA-N 401.448 0.895 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2ncnn2-c2ccccc2)cn1 472809682 UEHNRTSKYOZNQX-UHFFFAOYSA-N 413.401 0.975 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)Nc3cccc(C#N)c3)cn2)C[C@H](C)O1 475602956 MKGPHBQZJLDKPM-KBPBESRZSA-N 410.434 0.968 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2)nn1 475814712 TUJWHDQFAKFABM-AEFFLSMTSA-N 422.445 0.901 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CC1 481975485 GNEVCSZGMXNCST-NSHDSACASA-N 414.512 0.832 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 485577402 BJJAZUKVZLQMAU-IAGOWNOFSA-N 411.480 0.429 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2)cc1 490722840 LLWZKBIQHNDHAV-UHFFFAOYSA-N 416.459 0.738 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)C1=O 501435144 HUTIONNDRIUORI-HNNXBMFYSA-N 409.464 0.283 30 20 HCED Cc1c(NC(=O)C(=O)NCC(=O)NCC#N)cccc1-c1nnc2n1CCCCC2 508994590 FBVBPIGNRRBGBE-UHFFFAOYSA-N 409.450 0.674 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 509262116 FAZDUHUSJZDBME-JTQLQIEISA-N 412.896 0.826 30 20 HCED C=CCSCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 513586391 NOEOICRVMGCLNT-KRWDZBQOSA-N 419.503 0.675 30 20 HCED COC(=O)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 520778116 YPZGKPXIUZLALB-QGZVFWFLSA-N 423.491 0.511 30 20 HCED C[C@@H]1CN(C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522097656 QLLWJOWAHZIVCV-MRXNPFEDSA-N 405.524 0.027 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)o2)c1=O 522284391 CUQXRRYXIXRJOW-UHFFFAOYSA-N 405.476 0.113 30 20 HCED CCn1cnc2c(c1=O)CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C2 530298782 ADNDSRTYBLBBJK-UHFFFAOYSA-N 415.475 0.340 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](CN4CCOCC4)C3)CC2)o1 533432835 AATHZXIWIOLXTE-KRWDZBQOSA-N 402.499 0.157 30 20 HCED CNC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 540551758 RWZFNIHGQOUXGP-PKOBYXMFSA-N 401.486 0.993 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546907240 HHKJXQZSLINWAA-UHFFFAOYSA-N 422.445 0.609 30 20 HCED CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCCn1cnc(C#N)n1 552120197 ZWYGCHCVMHMLFO-FQEVSTJZSA-N 407.434 0.655 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 554883394 OPNARYRTUORFCQ-MRXNPFEDSA-N 424.523 0.005 30 20 HCED CCn1c(-c2cccc(C#N)c2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 555057700 QIWMLDYFCNCSNZ-UHFFFAOYSA-N 421.465 0.303 30 20 HCED C[C@@H]1C[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 558056814 KGDIHOGYTDWDLD-ATZDWAIDSA-N 411.506 0.716 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](c1ccsc1)N(C)C 559749514 USIQCBISVRTKLZ-OAHLLOKOSA-N 403.512 0.735 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 566390153 DAKUWWSOPAVJDP-ZIAGYGMSSA-N 422.507 0.731 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 572348803 FYLLUTMXSYWUKI-UHFFFAOYSA-N 401.467 0.614 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCSC4)C3)CC2)nc1 572443501 NYJTTZVHPCCTST-JXFKEZNVSA-N 415.519 0.773 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CCC[C@H]2C1 572533646 RYBOGMILDORFOD-XHSDSOJGSA-N 421.461 0.841 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)cc1 574708074 UMPCKWQLWWEQQZ-LWIWOBKBSA-N 404.488 0.352 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 578823223 NBBKFHDCJAJUHT-INIZCTEOSA-N 416.434 0.897 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 588127764 QLSCOXJLWADDQB-UHFFFAOYSA-N 407.584 0.958 30 20 HCED CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 604096264 DYJWQUAQVYGSQR-UHFFFAOYSA-N 421.523 0.163 30 20 HCED CN(C)CCCN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 609045937 GQTXKJWEOFFWJY-UHFFFAOYSA-N 411.528 0.354 30 20 HCED Cc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cc1S(=O)(=O)NCC#N 609525722 IYRLZZMAPGQBJZ-UHFFFAOYSA-N 407.540 0.506 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 610425212 NKTCMFONULWILR-SJORKVTESA-N 400.483 0.869 30 20 HCED CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N2CC[C@@](F)(C#N)C2)C1=O 615537263 VLNFUNDKLBRPDT-GOSISDBHSA-N 402.386 0.649 30 20 HCED C=CC[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)O 682896717 PVPKDYZZVRMHRI-CQSZACIVSA-N 418.493 0.324 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)CC1 728530930 ZTQNEQGEKLWKBP-UHFFFAOYSA-N 412.899 0.219 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nnnn2-c2ccccc2Br)CC1 728571996 SNAHKMDJFPBZNC-UHFFFAOYSA-N 418.299 0.292 30 20 HCED CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)Cc1ccc(OCC#N)cc1 732495061 IUBOEHISHGNUGM-UHFFFAOYSA-N 402.432 0.733 30 20 HCED COc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c1 732978958 ZXPVUJOQCCULTE-UHFFFAOYSA-N 406.370 0.032 30 20 HCED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1COc2ccccc2O1 741340354 LUVNEIJCLMYINF-UUPHZHHOSA-N 415.402 0.402 30 20 HCED CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 747018983 SNVOYBRDSMELBY-XQEBGNCTSA-N 424.523 0.961 30 20 HCED CN(C)S(=O)(=O)c1ccc(C[S@@](=O)CC(=O)NCc2ccc(C#N)cc2)o1 747848982 CWNMEJOKWUAHRX-AREMUKBSSA-N 409.489 0.967 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N3CCC(C#N)CC3)cc2)CC1 749685611 RIFTWFZPSDLSHS-UHFFFAOYSA-N 413.478 0.682 30 20 HCED N#C[C@@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCN1Cc1ccccc1 749995700 JCPPVVPZOAMTNA-VQIMIIECSA-N 411.487 0.953 30 20 HCED C[C@@H](CC(=O)N1CCC2(CC1)CNC(=O)C2)/N=C1/NS(=O)(=O)c2ccccc21 752034950 XHHIMNJATVPAHX-ZDUSSCGKSA-N 404.492 0.632 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)ccc1F 753291007 PALFRLVQZHYWIM-CYBMUJFWSA-N 419.500 0.444 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2ccnn2C)C1=O 762416995 DVGYCGDZFGAPLO-HNNXBMFYSA-N 414.491 0.829 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1 764029914 LPIKVOOSHAVYHU-INIZCTEOSA-N 400.457 0.151 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)[C@H](C#N)C(=O)N3CCCC3)CC2)cc1 764761613 QQETVGNKQKXVGQ-SFHVURJKSA-N 418.519 0.633 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 767038398 QRZWOVJHAKXBDY-FUHWJXTLSA-N 422.489 0.750 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCCOCC 772279459 ULUBZQDWCOZZBJ-UHFFFAOYSA-N 413.503 0.439 30 20 HCED Cc1cc(C(=O)NCCS(=O)(=O)N2CCOCC2)nn1-c1cccc(C#N)c1 779888631 YLQPLUZIWKJMPK-UHFFFAOYSA-N 403.464 0.444 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 780058167 DKZYPNQWMJACQX-ZCHQSPEWSA-N 422.441 0.839 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCCc3cnn[nH]3)CC2)o1 782310638 BBTMFUKNKRZJQT-UHFFFAOYSA-N 401.427 0.578 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(C)C 783347537 OHROMONPZXKDFH-UHFFFAOYSA-N 402.494 0.524 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccnc2-n2cncn2)c1 783453469 NHTSAMNQQUTKHV-UHFFFAOYSA-N 403.402 0.679 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 786541447 OWANTFNCHMUYJO-HNNXBMFYSA-N 405.414 0.580 30 20 HCED C/C(C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)=C\c1cccc([N+](=O)[O-])c1 787162924 LUXGFCRZIHWCGN-WBQXDTCNSA-N 407.408 0.360 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 787786906 FFUZLUJOOHQHHK-HOTGVXAUSA-N 413.434 0.425 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccccc2-n2ccnc2)n1 793719198 QCNQDVUORAZXOI-UHFFFAOYSA-N 420.473 0.993 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-n2nnnc2O)cc1 793950799 OSGJLLWSMDFUPE-UHFFFAOYSA-N 413.419 0.435 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(C)C 799274356 QFHMQZADTDJDDW-MRXNPFEDSA-N 407.492 0.728 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCS(=O)(=O)CCc1ccccc1 800707745 VILIEGGHZHBBGU-ZCXUNETKSA-N 420.491 0.470 30 20 HCED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 802343541 VZPWQQSEJXZLAI-INIZCTEOSA-N 404.496 0.981 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)OCC(=O)N(CCC#N)c1ccccc1 803860445 MRZGTQFPXWXFLJ-UHFFFAOYSA-N 418.431 0.345 30 20 HCED C#CCNc1nc(N[C@H](CO)C2CCOCC2)nc(N[C@H](CO)C2CCOCC2)n1 804682662 RDWFVBAHGZFSBG-IAGOWNOFSA-N 420.514 0.316 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)n1 807694523 MCFMOIUBRHLTON-QGZVFWFLSA-N 410.478 0.281 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 810070536 UDHRXGKOVQZSAP-UHFFFAOYSA-N 407.477 0.112 30 20 HCED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 810780665 LWIVZFDVPAXKNO-GOSISDBHSA-N 407.448 0.240 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812396675 XLAAURQPAIRHOO-HOCLYGCPSA-N 404.496 0.342 30 20 HCED CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)NS(=O)(=O)c1cncc(C#N)c1 816095210 UPFOPZPEGUEOEG-SFHVURJKSA-N 416.459 0.978 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCO2 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C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CC)NC(N)=O)C1 1777984531 WHPPULGIGHHKRA-AXHMDWHKSA-N 410.515 0.538 30 20 HCED Cn1ncc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)cccc21 1778714669 KPNBYLWZUPAELR-XMSQKQJNSA-N 424.457 0.789 30 20 HCED CC[S@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1778818727 ZFAMWJFMGGXVLW-GDJIYFAZSA-N 412.556 0.257 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1778969334 IKSXCQZANZWWSX-AVRDEDQJSA-N 422.570 0.027 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065151 SMRPRTGZAJXUPY-JOCHJYFZSA-N 405.539 0.903 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1779105734 NWZXESCVXPWFIG-SNLHJCLZSA-N 415.450 0.859 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779132860 KZMRQHJQSQPYME-UMQMUVBQSA-N 404.467 0.443 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1779334082 OOGUXAWBVKPARS-WHSLLNHNSA-N 418.494 0.883 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC(C)=O)OC(C)=O)C1 1779408594 XLAGUFRBRHZXDB-SQGPQFPESA-N 410.467 0.571 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779873016 LMJXYSWMDQZCLL-NRFANRHFSA-N 413.478 0.787 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(=O)nc4cccnn34)C2)C1 1780062853 VHNDWULPWLJBQJ-YCRPNKLZSA-N 411.462 0.745 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1781270504 MZECJMOSFZBEGT-HRAATJIYSA-N 408.495 0.899 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1781399851 JRHJBLRBPLYCLL-SUMWQHHRSA-N 401.485 0.435 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781859417 CWWPKCYBFSXHKE-AVYPCKFXSA-N 411.499 0.872 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782009530 NUJROFKBPJMVCG-YJPQMCDFSA-N 420.462 0.178 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782748348 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C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Oc1cccnc1 1801396650 YETVPYUKGQMKBH-KMOPNRPKSA-N 401.463 0.477 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)Cn2ccnn2)[C@H]1c1cccnc1 1807682739 MTOKBUKAILLIAG-JENIJYKNSA-N 412.494 0.952 30 20 HCED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2cnc(O)nc2O)[C@H]1c1cccnc1 1808281504 NMOLRBKGKGIAJM-VHRBIJSZSA-N 403.464 0.921 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1819355091 JPDPPWYZKAGXRC-AAEUAGOBSA-N 404.427 0.197 30 20 HCED O=C(CNCP(=O)(O)O)N1CCC([C@@H]2CCCCN2C(=O)C#CC2CC2)CC1 1824409863 HUDJNWVAGPZCIH-KRWDZBQOSA-N 411.439 0.744 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cnn3ncccc13)CC2 1825665457 NFIYHDJSSSQFNN-JTQLQIEISA-N 410.415 0.500 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826312142 CHPCWKIRVFXHGV-NWDGAFQWSA-N 416.459 0.018 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CC)CCN2C(=O)OCc1ccccc1 1828535086 HMUJHHRTUYMNIQ-AVRDEDQJSA-N 413.474 0.843 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1828881656 HACJTVYCXMFNOR-KSZLIROESA-N 422.570 0.772 30 20 HCED CC(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1830013653 KDABJPJCNJXFOW-QFIPXVFZSA-N 400.475 0.920 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1831213134 HBAQEUALJCADJQ-OFNKIYASSA-N 410.470 0.860 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831420686 YTCIEEUNWOXNNP-UZLBHIALSA-N 404.467 0.067 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1831425611 VXQRUJSVFRLLFE-ZWCUEREDSA-N 418.490 0.768 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1831438805 WMJFQLPGVKSEIQ-UZLBHIALSA-N 406.483 0.010 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)COC)CCO2 1831630854 VQPIRALBXCPNLT-UZLBHIALSA-N 412.483 0.235 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832381037 TVTMHHQVEQWWFY-MGPUTAFESA-N 406.483 0.263 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=NN(C)C(=O)CC1)CCO2 1832381373 WHDIFJAOSNWFOK-NRFANRHFSA-N 418.494 0.245 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833123687 JFVLPJKEUUXXGR-NRFANRHFSA-N 400.479 0.669 30 20 HCED Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833907951 NMHZTNJFZXNIPN-NRFANRHFSA-N 417.510 0.377 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)on3)CCO2)C1 1834349369 FEHVBMRTFNPHHJ-KXBFYZLASA-N 408.455 0.854 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834609642 HUOJNLNQHKTIOL-YCRPNKLZSA-N 417.462 0.660 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C=CCN3)CC2)CC1 1835050966 HRABLGXWPNRYSD-OALUTQOASA-N 404.555 0.659 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835077700 MSOJCVOWVBMHJR-NSHDSACASA-N 409.512 0.391 30 20 HCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)ccn1 1835344400 BUFRIVSLCWWMHF-HXUWFJFHSA-N 400.435 0.464 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1cccc1C=O 1835952612 PQUPULPZZWLNTF-KKSFZXQISA-N 414.462 0.622 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3Cc4ccccc4O3)CCO2)C1 1836643998 OVUZCCBKSLXEGZ-XMSQKQJNSA-N 413.474 0.996 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccncc1O)CCO2)C(F)(F)F 1837820689 AVWJGNBECTXZJC-KRWDZBQOSA-N 415.368 0.976 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838253929 NXPMDRNSAIHUOU-LIRRHRJNSA-N 424.885 0.791 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)CCO2 1838271884 FMHJAFMJBQNNHV-HXUWFJFHSA-N 422.551 0.972 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1838384592 GHASIQPQKQNGRJ-QAPCUYQASA-N 409.527 0.693 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1838580606 MXLZCFRIMXYDBT-QFIPXVFZSA-N 424.457 0.941 30 20 HCED CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908769 RMRBJEVFZGJRJG-QFIPXVFZSA-N 414.506 0.968 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)C)C2)C1 1839224187 GRUJEXZDXSASJT-XLIONFOSSA-N 412.531 0.632 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C\C=C\C)CCO2 1839832825 LCHAWYNPBIDORB-OUPKRAHNSA-N 403.479 0.434 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840043037 DPYHZARNYGOTRT-NRFANRHFSA-N 400.431 0.461 30 20 HCED CC(C)c1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840043040 DUKPCEILNNSMFC-QFIPXVFZSA-N 414.458 0.968 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1840043161 GYPWCSDYBLWIHK-HXUWFJFHSA-N 404.394 0.292 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840158429 LJKBOQPJWUXGDV-AUUYWEPGSA-N 408.524 0.536 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840170325 YXUXLTMWPSQSIR-JOCHJYFZSA-N 413.474 0.659 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@]1(F)Cl)CCO2 1840242128 JWUMDHQMNHSTIV-KJWYOANISA-N 404.866 0.958 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 1840291469 PZBWVTQVWQPFHI-WIYYLYMNSA-N 407.511 0.551 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1cccs1 1840377819 YFQGTLDFXNQABN-KUHUBIRLSA-N 406.460 0.396 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCSC(=N)N)C3)C2)CCC1 1840812788 LJAILYBYIOJBRV-SFHVURJKSA-N 409.512 0.153 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1843329215 IQGGJKJYVOQNHH-NXLSOHMPSA-N 421.523 0.745 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1843338845 KKWBHYDNCJXDQP-CQSZACIVSA-N 409.450 0.698 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)c3cccc(=O)n3O)C4)c2c1 1845581197 LLHXHUUSXRMRIM-UHFFFAOYSA-N 418.413 0.964 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC=O)C2 1847071930 NWFCRNSQTQDBFY-GJZGRUSLSA-N 406.483 0.241 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 6171334 CWFRSRSFDCJHPL-UHFFFAOYSA-N 405.432 0.673 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409533156 BPRMBEFMERRVRJ-LBPRGKRZSA-N 419.529 0.324 30 20 HCED CSc1nnc(CCCNS(=O)(=O)N2CCO[C@H](C#N)C2)n1CC(C)C 409538336 XXXIFCNIEGSUGJ-CYBMUJFWSA-N 402.546 0.647 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(OC(F)F)n(C)n1 426922915 GQYQVPWWWRZZRZ-JTQLQIEISA-N 420.380 0.359 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 435432267 ICHTUENUPUUGLE-UHFFFAOYSA-N 416.462 0.785 30 20 HCED C=CCOC[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)OC 435932501 CPNHTNHWDMCXMV-ZDUSSCGKSA-N 416.390 0.923 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 436996055 AXJCYKXOIBOCLJ-UHFFFAOYSA-N 410.430 0.793 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]([C@H]4CCOC4)C3)n2)cc1 439512212 LDDWHVSGTLICMB-ROUUACIJSA-N 408.462 1.412 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)C1=O 440252097 FLUIUIHGZINVJS-UXLLHSPISA-N 415.494 0.879 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1=O 440277933 QNGYVJGXQUHGRD-MRXNPFEDSA-N 420.491 0.410 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)Cc1cccc(C#N)c1 443266614 SGTFWTDFGLWJEK-UHFFFAOYSA-N 423.516 0.791 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)cnn1-c1cccc(C#N)c1 443679937 GIMZLINHOGNPGZ-NRFANRHFSA-N 410.478 0.818 30 20 HCED N#Cc1ccc(N2CCN(C(=O)c3cn(CCO)c(=O)nc3O)CC2)c(Cl)c1 444525478 IGOAEJZVGGNVHC-UHFFFAOYSA-N 403.826 0.429 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 445101839 CHXOZQQRYOMXPP-CABCVRRESA-N 417.495 1.429 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 446533894 ZEKKFCNQKYWARQ-QGZVFWFLSA-N 416.478 0.867 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2nncn2-c2ccccc2)cn1 460595101 CDCNTMLZNKODPG-UHFFFAOYSA-N 413.401 0.975 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1coc(S(=O)(=O)N(C)C)c1 461321166 ZUTZIWNHFASXEI-UHFFFAOYSA-N 400.420 1.543 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465487709 AUIUXFRYUZZWGD-CQSZACIVSA-N 414.491 0.884 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cnn(CC(=O)NC4CCCC4)c3)CC2)c1C#N 472296602 KPGKOVAMTWSOAS-UHFFFAOYSA-N 424.509 0.818 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 472442721 CWBQRRRYTLJWFW-AWEZNQCLSA-N 419.488 0.806 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1C 480155938 WNGLKKOXCUQYSQ-UHFFFAOYSA-N 422.304 0.475 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(=O)NC3)CC1 482834995 CHPXAAZZNHQAOU-GJZGRUSLSA-N 424.461 0.808 30 20 HCED C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 484859017 VFYSLDWYBQPBGJ-JUCITSJASA-N 400.464 0.504 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)CC1 491247008 MKOYZCOOUATZPB-UHFFFAOYSA-N 415.494 0.082 30 20 HCED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 499721784 BXNFQMCPRLCPEU-MLGOLLRUSA-N 413.434 0.730 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)N(C)[C@@H](C)CC#N)c1 509179531 PFPLDBBOIPTJCZ-LBPRGKRZSA-N 409.472 0.590 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 512114850 NNAVBYKDUULGEF-UHFFFAOYSA-N 413.400 0.835 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)CC1 512450141 OVBQZKDHQLNJMX-FQEVSTJZSA-N 418.586 0.309 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])C1=O 523512484 AYWFTGZOYUJZBK-UHFFFAOYSA-N 403.395 0.798 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)CC2)c1C#N 530407737 JMGWVWKZIAUXRM-LSDHHAIUSA-N 408.528 0.788 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)cc1 535554046 KBRLDUJPEGUVDF-HNNXBMFYSA-N 423.413 0.861 30 20 HCED N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 536341987 GOFJHYGTMLAYJT-UHFFFAOYSA-N 407.471 0.788 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)n2)c(Cl)c1 543930932 PVRKSROYTOKFQB-BXUZGUMPSA-N 416.825 0.485 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(Cc4ccncc4)c3)CC2)n1 545488671 BOQYMJVXWASMIH-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 553372422 RWLMIDAXKZNNBO-QGZVFWFLSA-N 412.556 0.170 30 20 HCED C=CCOc1ccc(CNC(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 553898752 CSTXAMZTYDZEEM-GDBMZVCRSA-N 409.508 0.990 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)C2=O)cc1 554692032 OUXPGFTZBYCUEF-FEJCRTRBSA-N 408.458 0.398 30 20 HCED C=C(C)Cn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 558995054 NVFOLXIBGSQZNS-KRWDZBQOSA-N 406.531 0.760 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2nc(C(C)(C)C)cs2)CC1 561414239 SBDGNOKBXDYTBF-UHFFFAOYSA-N 421.567 0.546 30 20 HCED N#Cc1cccc(OCc2ccoc2C(=O)NCC(=O)NCCN2CCOCC2)c1 561984889 PJATUINRPIGTRI-UHFFFAOYSA-N 412.446 0.908 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)CCCC)c1 564615739 CMHXOCMDSTUEPV-UHFFFAOYSA-N 410.496 0.464 30 20 HCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 571008627 BQZUOKPDSSXITM-WBVHZDCISA-N 405.524 0.954 30 20 HCED Cc1cccc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 575082168 VXWVWRPGYHBMCC-IBGZPJMESA-N 405.458 0.838 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 582581954 WKTPKURGFSSXMZ-UHFFFAOYSA-N 406.512 0.456 30 20 HCED COC[C@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCCO1 587659470 OXWWHLMGOYQHGQ-IRXDYDNUSA-N 401.467 0.348 30 20 HCED CC(C)(CCCO)CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588731721 HFLYXFVBBHSSOM-UHFFFAOYSA-N 403.483 0.987 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 590277844 DWEJZGLROXRKJC-SJKOYZFVSA-N 422.367 1.348 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 606050576 AKNGQJRFPSSNKP-OAHLLOKOSA-N 423.495 0.473 30 20 HCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 608911740 OVHWBWOIYHXLSC-UHFFFAOYSA-N 422.441 0.676 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3ncccc3OCCCC#N)cnc21 610116183 KBFKKNLGYWMDEK-UHFFFAOYSA-N 416.419 0.912 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cn2)cc1 610748296 XAGHXCXZRBUKLV-HOTGVXAUSA-N 409.402 0.833 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 612235824 HPIXQUYRRDAZQB-ZWKOTPCHSA-N 403.435 0.928 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCCN(C)c2ccccc2)N(CC(=O)NC)C1=O 726406641 LHPZAVRBRBUWHC-BIDVBJRCSA-N 405.524 0.695 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)C1 727010517 BSKWRJDJLMVOCI-INIZCTEOSA-N 401.419 0.633 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[C@H](C)CC)CC1 728530405 CQSTWBPGDROVEP-WIYYLYMNSA-N 424.545 0.880 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 728913728 GTMPXVIUWHPCNN-AWEZNQCLSA-N 423.491 0.387 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 730395572 GQHKZBYZVQMOHA-HOCLYGCPSA-N 424.523 0.921 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc(Cl)c3)CC2)c1=O 732409239 JFCJSANWZNQWCM-UHFFFAOYSA-N 417.897 0.977 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1ccccc1)N1CCOCC1 732445574 NYOMHTKPUJBMQM-FTHOYRMOSA-N 413.478 0.886 30 20 HCED N#C[C@H](C(=O)c1cc(Cl)nc(N2CCCC2)c1)C(=O)N1CCS(=O)(=O)CC1 733053677 KNVYLWFWTRFZCF-CYBMUJFWSA-N 410.883 0.915 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)N2CCc3ccccc3C2)CC1 733365063 XKTMJNVSQLUVTN-UHFFFAOYSA-N 411.506 0.038 30 20 HCED COC(=O)[C@H](OC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)c1ccc(C#N)cc1 740237721 RNEZRAKFACNRDE-OAHLLOKOSA-N 411.374 0.624 30 20 HCED CN(C(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1(C#N)CCCCC1 745482204 NICMPNTYULLKNK-KFZJALRRSA-N 403.435 0.377 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)nc1 746783206 KFKPEBIMLFLCQW-UHFFFAOYSA-N 421.417 0.172 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1nc(O)n[nH]1 747995648 IYIRCOQJTGWUJF-ZDUSSCGKSA-N 420.495 0.857 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cn1C 751657106 LIIAXQPHZHVVFA-LBPRGKRZSA-N 423.476 0.289 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 758079140 FVUYSCPXDAEKQS-UHFFFAOYSA-N 423.494 0.732 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnc(OCc3ccccc3)cn2)CC1 760278007 SWBJQQPMWTYPDM-UHFFFAOYSA-N 407.474 0.953 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 761024263 AOFXDGRVBHOTME-HNNXBMFYSA-N 404.398 0.516 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)s2)c1=O 763303147 YAOKTNPDRQKXEA-UHFFFAOYSA-N 407.517 0.654 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(O)cc2)c1 769656642 ITEDIODJIUYXPL-QGZVFWFLSA-N 402.428 0.948 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 770099334 MHPGFYUFAUQLGB-JTQLQIEISA-N 403.254 0.938 30 20 HCED O=C1CC(=O)N(c2ccc(F)cc2)N=C1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 773955252 LYLISRRNXCDQGG-VLGSPTGOSA-N 413.365 0.130 30 20 HCED COC[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 774746076 BKTHUAAPPMEBDD-MRXNPFEDSA-N 410.448 0.690 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2[C@H]3CCC[C@H]23)CC1 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N#Cc1ccc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 801290242 BICZEIHFQVFNFS-UHFFFAOYSA-N 424.486 0.731 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2cc(C#N)ccn2)c(N)n(Cc2ccccc2)c1=O 803847911 YPSMFOPMADMCOR-UHFFFAOYSA-N 419.397 0.484 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccnc1-2 807035114 WWBNMBGVMGOBMI-KRWDZBQOSA-N 417.429 0.069 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)nc1 808219544 VYFRCZOJSAXKCO-SFHVURJKSA-N 420.473 0.789 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(Nc2cc(OCC)ncn2)CC1)[C@H]1CCCO1 809306506 RKLPGKFKSBCGPQ-JKSUJKDBSA-N 401.467 0.575 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCCn3cc(CO)nn3)ccc2c1=O 811598576 VIFKXCDFGHFUFD-UHFFFAOYSA-N 400.464 0.775 30 20 HCED CN(C)CC(C)(C)Cn1c(=C(C#N)C#N)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250088 HVEFMTMDWLYOMF-UHFFFAOYSA-N 420.489 0.986 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CCC1 814253472 ZLTUTISQVNRODZ-UHFFFAOYSA-N 401.492 0.024 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 815263629 LOLSRADIRGNGGW-NWPKHEMWSA-N 414.528 0.764 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)C2)nc1 815685444 VUIMHMFHNLIEMK-HNNXBMFYSA-N 404.390 0.547 30 20 HCED C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 818593218 PQMYJUVNMHWOPR-UHFFFAOYSA-N 422.551 0.458 30 20 HCED N#CCSCC(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 915386534 NEMZJFQYZBBHED-UHFFFAOYSA-N 400.478 0.886 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C(=O)NCCCC)CC[C@@H]2C)c1=O 921052159 BANOYGBAAROXSZ-DLBZAZTESA-N 419.526 0.518 30 20 HCED Cc1c(Br)c(C)n(NC(=O)Cn2ncn3nccc3c2=O)c(=O)c1C#N 1117759531 ROJLKRLWLKNZGT-UHFFFAOYSA-N 418.211 0.074 30 20 HCED N#C[C@H](C(=O)CCC(=O)N1CCc2sccc2C1)C(=O)N1CCS(=O)(=O)CC1 1122502009 AZUOZSYZIXCTTN-CQSZACIVSA-N 423.516 0.379 30 20 HCED COC(=O)[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1Br 1192387079 PQLBWMRQCKMQIN-GWCFXTLKSA-N 418.269 0.722 30 20 HCED CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 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C#Cc1cccc(NC(=O)CNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 108556930 PDWMAPRJLYVDCZ-UHFFFAOYSA-N 423.473 0.584 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)C1=O 116552153 DEIKNFNLYWWZOG-UHFFFAOYSA-N 416.415 0.797 30 20 HCED C#CCNC(=O)CN1CCCN(c2ncnc3c2c(Br)nn3C)CC1 301260466 GVCCERJSIANNBA-UHFFFAOYSA-N 406.288 0.387 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)CCO1 409582001 XTMKAYKJHWRZMQ-TZMCWYRMSA-N 413.887 0.855 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 434827225 JAMBFXFVXAIJSV-CQSZACIVSA-N 402.455 0.586 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc3c(s2)CCCCC3)CC1 434934795 BRCTZAAYVNCSEQ-UHFFFAOYSA-N 405.524 0.797 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)Nc1ccc(F)cc1 438858370 BVIKTQYPXOOBRL-UHFFFAOYSA-N 421.392 1.280 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1C 446160188 DGIDLNZHNHNUKN-UHFFFAOYSA-N 401.488 0.420 30 20 HCED COc1cc(F)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1OC 446522371 KGZGUCRYROFDCU-UHFFFAOYSA-N 408.430 0.856 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 446525965 DKPSXVCHXMFSEO-GJZGRUSLSA-N 409.439 0.831 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](O)CCc1ccccc1 460652677 DOFANNQYIYIBLP-GOSISDBHSA-N 418.457 1.496 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C#N 463794335 PZUWFABOMZSESL-UHFFFAOYSA-N 402.411 0.299 30 20 HCED C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465185591 DVMRSCRZKMIOAX-GJZGRUSLSA-N 414.491 0.752 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)COc2cccc(F)c2)CC1 476281145 DOSJKIIXAFWVMG-OAHLLOKOSA-N 406.458 0.156 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CS(C)(=O)=O 482153932 RPIUVGIDCITWIL-CHWSQXEVSA-N 401.510 0.507 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 483935288 SJNNKXHSIDKXCK-SFHVURJKSA-N 420.535 0.530 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1OC 484761275 TWFDFXDJWROWNM-KURKYZTESA-N 422.507 0.767 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486490358 SLUODNPKHKLNSZ-IRXDYDNUSA-N 419.507 0.240 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 498984246 SOEVSRVINJYMNJ-UHFFFAOYSA-N 415.429 0.527 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(C(N)=O)nc3)CC2)cc1 499865619 LNLXXVWENHAHMG-UHFFFAOYSA-N 414.447 0.591 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)C(F)(F)F 507025795 WOHFMHFEQRJBFD-NSHDSACASA-N 410.349 0.574 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 507661304 RSPIYJRCWNGAIX-GXTWGEPZSA-N 410.500 0.498 30 20 HCED N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cn1 509660917 HZMNVOGHPNONHD-GOSISDBHSA-N 414.443 0.768 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(OC(F)F)cn3)CC2)c1 511067740 FCIVDVJIZVODJS-UHFFFAOYSA-N 416.388 0.915 30 20 HCED CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)s1 511393408 CTOHLQFXWFQQEX-UHFFFAOYSA-N 410.525 0.895 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514015023 FYOPKKSFVSJQQH-IVZQSRNASA-N 424.505 0.594 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 523580699 CKWHGJPGQWULPD-UHFFFAOYSA-N 417.494 0.748 30 20 HCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CC(N)=O)c1=O 526038156 QECGSDLBTGQGRO-HNNXBMFYSA-N 411.483 0.202 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 531842517 ZKOBARREKHMPRG-UHFFFAOYSA-N 422.869 0.217 30 20 HCED CCS(=O)(=O)NCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 532886763 ACAAXIDCWFFAKR-UHFFFAOYSA-N 408.459 0.453 30 20 HCED CN(C)S(=O)(=O)c1cccc(NC(=O)CN(CCC#N)CCN2CCOCC2)c1 533446943 OXNJDRCSCWYQRA-UHFFFAOYSA-N 423.539 0.423 30 20 HCED COCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 535549538 UHFVUKNMTRGRBG-KRWDZBQOSA-N 417.491 0.818 30 20 HCED COCC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537161764 XOUPRTDIUDVPKD-MRXNPFEDSA-N 405.524 0.248 30 20 HCED CC1(Cn2cc(C(=O)[C@H](C#N)c3nc(N)nc(=Nc4ccccc4)[nH]3)nn2)COC1 546863334 BRNIZVKEGDAZGO-ZDUSSCGKSA-N 405.422 0.737 30 20 HCED O=C(NCC#Cc1cccc(F)c1)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 549332762 LDIZZWWQGHJZID-UHFFFAOYSA-N 409.373 0.822 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)ccc21 556593545 AGHODSNTKZJMGH-SJORKVTESA-N 414.462 0.864 30 20 HCED CNC(=O)C1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 557000277 WLYWXWVLUUEKGK-UHFFFAOYSA-N 413.522 0.869 30 20 HCED CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 560653751 NXTFDSXHNKTJCY-UHFFFAOYSA-N 415.469 0.767 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1 560679788 QTVVTSPXDHBICT-UHFFFAOYSA-N 410.584 0.861 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 561215027 IAAVMSDXPLNOKQ-UHFFFAOYSA-N 407.448 0.963 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(S(C)(=O)=O)CCCC1 561961215 XHJNIAYAVBGTSL-AWEZNQCLSA-N 406.512 0.926 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 564198904 FPWXSAHETNZHOK-FDARSICLSA-N 418.519 0.988 30 20 HCED COCCNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C#N)o2)ccc1OC 573835722 WMAQRERFLHZNSZ-UHFFFAOYSA-N 415.449 0.885 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccccc2Cn2cncn2)c1 575958349 LNOVHIYXVAOMOO-UHFFFAOYSA-N 410.459 0.793 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ncnc4ccsc34)CC2)CC1 588128675 FIBXFHJQIDWLJO-UHFFFAOYSA-N 413.507 0.444 30 20 HCED CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC1CCN(CC#N)CC1 588128777 KCOQJRDFXOTUAH-OAHLLOKOSA-N 406.508 0.459 30 20 HCED Cn1cccc1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589317741 IBFHVNPDUWDSTN-UHFFFAOYSA-N 415.475 0.160 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 589461674 XCMYLCRUVZUJEH-CRAIPNDOSA-N 416.503 0.838 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 609342138 PBSLVSACRYCNAD-UHFFFAOYSA-N 421.523 0.760 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccccc2Br)c1 610677085 BIKGFNSPLKSZEM-LBPRGKRZSA-N 412.269 0.842 30 20 HCED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@](F)(C#N)C1 615608402 RHFBCXYLZQUYNI-KDOFPFPSSA-N 411.455 0.692 30 20 HCED CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)CC1 615635184 SJQIXWMPGSLNDM-HXUWFJFHSA-N 401.442 0.753 30 20 HCED CC(=NOCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cnn(C)c1 725794189 OLXGBVMXVJINSH-UHFFFAOYSA-N 405.480 0.694 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(NC(C)=O)cc2)C1=O 726044032 ZKJKWLHUOKESKW-UHFFFAOYSA-N 402.363 0.104 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 727194011 IJCSMGOEISGCRH-CABCVRRESA-N 405.407 0.313 30 20 HCED Cc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(=O)(=O)N(C)C 732414712 SNNNUJZIIFOYRC-MSUUIHNZSA-N 421.479 0.893 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732453779 LEZNRTCNCHKNOV-HNNXBMFYSA-N 410.500 0.153 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1 735922815 JQQZWINBRXOJBN-UHFFFAOYSA-N 408.480 0.657 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 735923643 VKLDMKHKSFXBOM-UHFFFAOYSA-N 414.871 0.694 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nc(O)nc(O)c2N)cc1 742246056 WIJHLVHNHZRLCP-NHDPSOOVSA-N 406.424 0.535 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCCn2cnc3c(N)ncnc32)cc1 745549817 COJQYLJXCMTOTK-UHFFFAOYSA-N 414.447 0.567 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)CCC)cc1 749634878 YZWFJMCLNRIZBB-INIZCTEOSA-N 409.533 0.982 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1 753693904 UVNFWEHRGLUFTB-SJORKVTESA-N 410.517 0.780 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 756771376 WPDBGNLNOHIZKX-NWDGAFQWSA-N 406.447 0.247 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(S(N)(=O)=O)s2)C1 757595891 UNIIGMWCUUTPAP-ZJUUUORDSA-N 400.482 0.884 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C 758587408 XNKWAVDQXGOUEZ-UHFFFAOYSA-N 411.531 0.861 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 759401461 OQHFGAACZQKORE-WCQYABFASA-N 419.438 0.924 30 20 HCED Cc1nn(C)c(C)c1NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767634946 GDHXESWXRHKKPX-GFCCVEGCSA-N 419.463 0.757 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3ccncc3C)CC2)c1=O 773332092 GQIIESXPCPPKGA-UHFFFAOYSA-N 413.478 0.748 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)[C@@H]1CCCO1 773796829 ZBQFJLVZMZKKAT-PMACEKPBSA-N 414.506 0.548 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nnc3n2CCCCC3)n1 775224602 ZFAHNAMTDNMPSD-UHFFFAOYSA-N 413.482 0.126 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cn2cncn2)CC1 779233208 MYZYQIXRKVCACK-UHFFFAOYSA-N 402.480 0.646 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c[nH]1 786907649 ZIQVDRVEDDTIMG-UHFFFAOYSA-N 420.422 0.715 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1)c1cc[nH]n1 789992822 OHUANLIKRXJQGT-SFHVURJKSA-N 421.841 0.864 30 20 HCED C[C@@H]1OCC[C@@]1(O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 790258240 AQSYOVPKLWGOQE-IFXJQAMLSA-N 409.508 0.942 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(Cn2nc(CC#N)n(C)c2=S)CC1 794616990 QNSIYZFGSDSVOF-UHFFFAOYSA-N 411.513 0.586 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCc2ccc(S(N)(=O)=O)cc2)c1 795327113 DSVCIBMTMMHDAJ-UHFFFAOYSA-N 423.472 0.270 30 20 HCED N#Cc1c(NCCNS(=O)(=O)c2ccc(F)cc2F)cccc1S(N)(=O)=O 799326063 YCHLMKVSAVOOKS-UHFFFAOYSA-N 416.431 0.874 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 804388670 ZCEUAOPQLPHLFQ-SNVBAGLBSA-N 404.286 0.797 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1OC 837285148 IJEKEHVCDBOEAT-UHFFFAOYSA-N 421.482 0.446 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCOC)c2=O)c1 917770365 MBYUYSSGFIGWSJ-UHFFFAOYSA-N 401.488 0.594 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CCC4)S(=O)(=O)CC3)CC2)o1 1171208683 RZVOIKOAGMAYKV-UHFFFAOYSA-N 421.523 0.547 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3ccn(CCN4CCNC4=O)n3)C2)nc1 1209487109 QGKPBLGEKVDNGA-HNNXBMFYSA-N 410.438 0.860 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCO1 1309831026 QUNGITNOMNSOHE-ZDUSSCGKSA-N 405.402 0.692 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(OCC(N)=O)CC2)c1 1323690430 VGDWIHORBWUKKE-UHFFFAOYSA-N 402.270 0.976 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cn(CCC#N)nc1-c1ccncc1 1326721920 YAWCWIYQEMZLCE-QGZVFWFLSA-N 416.507 0.594 30 20 HCED Cc1ccc(C(=O)N2CCC(C(=O)NCCCO)CC2)cc1S(=O)(=O)NCC#N 1333755706 CHIMRNPDSIPOIV-UHFFFAOYSA-N 422.507 0.148 30 20 HCED C=C(Cl)Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1359157698 RBVBVSKMJOSHQI-UHFFFAOYSA-N 422.921 0.795 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C12CCC2 1475459699 VXSFRSRTOUCWFE-MGPQQGTHSA-N 400.501 0.881 30 20 HCED CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1552919623 VBVCEGQCLZQBES-LPHOPBHVSA-N 417.491 0.591 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCO1 1618691104 UYMREIPFTFJLLF-SJORKVTESA-N 412.450 0.183 30 20 HCED CS(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 1651999143 TTXAZMVTBLEVKL-GOSISDBHSA-N 414.487 0.661 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)c1c(F)cc(C#N)cc1F 1656041287 KKWNKUBHXPZJIJ-MFKMUULPSA-N 402.375 0.952 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(=O)nc1O 1665118940 PZEUVYNUSZBQMG-UHFFFAOYSA-N 406.317 0.957 30 20 HCED N#CC[C@]1(O)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 1676954172 LEPBZVZQCIUYGY-UWJYYQICSA-N 416.478 0.921 30 20 HCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1710980577 JTTVCIRWRKSOPD-INIZCTEOSA-N 416.507 0.918 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1730763679 YGRAVCJDHOZBEP-CQSZACIVSA-N 424.527 0.563 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N(C)C 1741932250 ZPRRJVIAZVYWHH-CXAGYDPISA-N 411.532 0.497 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1768526641 YEUQANMHRGBLBN-UHFFFAOYSA-N 417.495 0.034 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1779065238 XGEQRYFYFWRNJY-QFIPXVFZSA-N 414.506 0.720 30 20 HCED 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C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1)C(F)(F)F 1839716151 RGZFXKXAUXZLDO-QGZVFWFLSA-N 416.400 0.766 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cscn3)C2)C1 1839841804 ZAROCVJCAGBYOS-OXFYSEKESA-N 422.551 0.682 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1)C(F)(F)F 1839892460 ONFNSDYIGSCJFR-KRWDZBQOSA-N 419.400 0.184 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840129757 CPYKHDQNYBWPAO-OAOKJSIISA-N 419.478 0.770 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840167740 KAAWBQVDIKGSDQ-SIKLNZKXSA-N 414.506 0.211 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)C(F)(F)F 1840233492 LYRCEXMGLVADMT-DYVFJYSZSA-N 419.400 0.088 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269851 DKVMJXVDBANMRF-VDNWNZSNSA-N 424.538 0.567 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840383297 OWXMFTYFVAPTOP-OAQYLSRUSA-N 400.479 0.533 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CCn3cncn3)C4)c2c1 1845582804 SFHJGSBVEOECQU-UHFFFAOYSA-N 404.434 0.933 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1845770179 POXPZTTZKPHQBD-AWEZNQCLSA-N 406.446 0.917 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CNC(=O)OC(C)(C)C)C1 1846087680 AWQXDHWZFRNVHN-FPLPWBNLSA-N 406.483 0.573 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)c1 1846828617 JIMFCRXKRJEBBB-KRWDZBQOSA-N 414.506 0.417 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847108521 YDUUEESTBNUEQR-ZUOKHONESA-N 421.498 0.328 30 20 HCED COCCN(C(=O)CNc1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 15291245 MCDVJFOQRLKEQZ-UHFFFAOYSA-N 414.466 0.738 30 20 HCED C[C@H](C#N)CN(C)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 54778801 LHCAGFCQEWKPDM-CYBMUJFWSA-N 418.475 0.781 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO 409481585 BBMKKVRZZALMQH-RBUKOAKNSA-N 410.540 0.566 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 409539517 WPIIEWBSUCKUDG-UHFFFAOYSA-N 411.509 0.345 30 20 HCED C[C@@H](CN1CCOCC1)N(Cc1ccccc1)S(=O)(=O)N1CCO[C@H](C#N)C1 410144837 YNBYVNCZDLMMTD-PKOBYXMFSA-N 408.524 0.678 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 439542868 CSZRELPWYDQUAS-ZDUSSCGKSA-N 408.480 0.677 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1=O 440250907 ABGHDOHYISQCFR-HOCLYGCPSA-N 412.446 0.076 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)C1=O 440272817 CXNZHKZXCHOVEK-QGZVFWFLSA-N 400.479 0.938 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1C 440297780 OFDJIMPCZKHETJ-OAHLLOKOSA-N 416.463 0.189 30 20 HCED C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)CN1CC(=O)N[C@@](C)(C#N)C1CC1 441908369 JICWHALFNFSYME-NLZGTENKSA-N 414.554 0.998 30 20 HCED CCOc1ccc(CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444500988 DQZZRHBHTZTAHK-UHFFFAOYSA-N 410.478 1.478 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccccc2C#N)CC1 446133029 VBTIMOONDNHJMG-AWEZNQCLSA-N 402.480 0.307 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@]12CCCO2 460663535 SXKPIQFPHQWMHM-WHSLLNHNSA-N 424.461 1.229 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C 461365232 KFOWFLOWHNRJOV-UHFFFAOYSA-N 415.515 0.639 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 465126159 DSVSVKGZXDHGGX-PBHICJAKSA-N 418.457 0.904 30 20 HCED C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468186344 LWBKJNQUDYWHGC-NHQZAOEJSA-N 409.446 0.153 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)cc1 468517467 SESJLNWYLZPPPE-INIZCTEOSA-N 414.491 0.855 30 20 HCED Cc1nc([C@@H]2CCCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)n[nH]1 473297814 CFPDRTGQAPWKDL-MRXNPFEDSA-N 419.449 0.969 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC(O)(CC#N)C2)CC1 473367021 PXDBIQHTUJVOIE-UHFFFAOYSA-N 421.475 0.361 30 20 HCED COc1ccc(CNC(=O)C2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 474153084 XIXGTJMWKFBGPJ-UHFFFAOYSA-N 411.462 0.497 30 20 HCED COC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 475306984 WYWDCXRRWYIQTQ-LJQANCHMSA-N 417.485 0.325 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn([C@H]4CCOC4)nn3)CC2)cc1 477869727 TWHIECVWDDKJFM-HNNXBMFYSA-N 416.463 0.258 30 20 HCED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC#N 477979574 BFMKLTXQXNOHOH-MRXNPFEDSA-N 408.480 0.102 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)n1 479346399 QVQKZRVNYZDILU-UHFFFAOYSA-N 424.870 0.521 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(S(N)(=O)=O)c1 480292130 TUEDWJADCLUWNX-LBPRGKRZSA-N 422.488 0.189 30 20 HCED C=CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 486969262 SAXKVTGYWXXUNP-WDEREUQCSA-N 421.463 0.193 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)c1cc(C#N)cc(N(C)C)c1 494378813 QOKKBWABGKJDFL-UHFFFAOYSA-N 409.493 0.803 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(I)c2)n1 508316128 HQZFBNUCENBSGB-UHFFFAOYSA-N 410.175 0.509 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508651148 WDAMCIYOECTCBX-KRWDZBQOSA-N 412.494 0.645 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cnn(CC(=O)OC)c1 509265849 WQACXRBJPXAOEI-UHFFFAOYSA-N 410.412 0.144 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 511282425 ZSGWBSZBPUMNCU-UHFFFAOYSA-N 420.447 0.886 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)NCCc2ccccc2)n1 515019197 HVHKGZPFXHNWBS-UHFFFAOYSA-N 417.429 0.553 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)c1C#N 515718579 JYBSQXFSROKHFT-UHFFFAOYSA-N 423.462 0.586 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC(=O)N(C)C)nnc12 516008108 QUFHLINPROJHBK-UHFFFAOYSA-N 414.491 0.917 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(CC)n2)c1=O 516372503 NFLXYRZKVZECIX-UHFFFAOYSA-N 404.517 0.380 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 520308690 AMYYESHLSYCCLX-UHFFFAOYSA-N 421.504 0.372 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)CC1 536948388 QKNCUJYFVVBEDM-MRXNPFEDSA-N 401.515 0.687 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H](C(=O)O)C[C@@H]1C(N)=O 548243908 DWWOXLKCZZBYDL-LDYMZIIASA-N 405.354 0.916 30 20 HCED COc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1C(N)=O 548370353 TXJCUECPTNKOKY-UHFFFAOYSA-N 406.424 0.026 30 20 HCED Cn1cc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)NCCn2cnc(C#N)n2)cn1 553524912 MYQKRKVUENSTFQ-MOPGFXCFSA-N 404.478 0.915 30 20 HCED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 553762440 IUBFDMRNXQQKED-UHFFFAOYSA-N 400.407 0.121 30 20 HCED Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 556214901 NMVQZWUAZMFXQT-GOSISDBHSA-N 408.462 0.837 30 20 HCED CNS(=O)(=O)C1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 559326237 KAFOUQFKSGPRPO-UHFFFAOYSA-N 402.480 0.696 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3CCS(=O)(=O)CC3)C2=O)cc1 577006884 MWBUDIKUGDWVKA-QGZVFWFLSA-N 404.492 0.783 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 577014493 FIUJXDZCDCYNLT-UHFFFAOYSA-N 401.858 0.900 30 20 HCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 580367012 KUOWNLXWIVXDHY-HZPDHXFCSA-N 405.524 0.764 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CCn3ncn(C)c3=O)c(C#N)c2N)cc1 581536450 TUVFHHIMZNOASI-UHFFFAOYSA-N 408.466 0.669 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1cccc(C#N)c1 587690530 UQMJWMQLDFFURP-DLBZAZTESA-N 411.506 0.891 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCOC[C@H]3CCOC3)C2=O)cc1 588107127 YEVKLHCPVDFRLI-WMZOPIPTSA-N 414.462 0.339 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(CC(F)(F)F)CC3)CC2)n1 600878585 PKIPXCXKLQYBSL-UHFFFAOYSA-N 410.400 0.308 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 603555630 TUJDIEJGTWKSFX-UHFFFAOYSA-N 406.917 0.737 30 20 HCED CN(CC(=O)N1CCC(N2CCCC2=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 609191158 BZKAZTBIOBLORG-UHFFFAOYSA-N 404.492 0.792 30 20 HCED N#CCSCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 731706734 NBWMLGQEHXUEIS-MRXNPFEDSA-N 419.459 0.297 30 20 HCED Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1cccc([N+](=O)[O-])c1 732153999 MWVWXVFADUSFJD-VLGSPTGOSA-N 411.378 0.740 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(C)c3C)c2=O)cn1 732561659 SGLLYDRNZDVPFJ-UHFFFAOYSA-N 407.499 0.981 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 733149935 YVSLJWDBFMEDAB-MRXNPFEDSA-N 416.909 0.977 30 20 HCED CCS(=O)(=O)NCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831040 OASWHUFGMSARDA-AWEZNQCLSA-N 408.436 0.246 30 20 HCED N#C[C@@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCN1Cc1ccccc1 733947019 TZGZQKYXTLUJGB-GOSISDBHSA-N 411.487 0.721 30 20 HCED C#CCN(CC#CC)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 742003253 WGGXBKQVLVKERR-UHFFFAOYSA-N 401.488 0.638 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1 742180357 ZBJXAUMXWWTYDZ-AWEZNQCLSA-N 404.535 0.711 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nccnc2C(N)=O)c1 742244955 BIIMJTDCGWYSIJ-XKZIYDEJSA-N 402.436 0.641 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 744394247 FITOBZSWOCDNJE-HNNXBMFYSA-N 402.470 0.581 30 20 HCED C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 748425408 CBOFUKSYHXRWAI-LBPRGKRZSA-N 423.426 0.548 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 748567655 NCNVLUXRWBVYHM-AWEZNQCLSA-N 400.435 0.677 30 20 HCED N#C[C@H](C(=O)c1cnn(-c2ccc(Cl)cc2)n1)C(=O)N1CCS(=O)(=O)CC1 752497213 CAITWCIBMZAOOA-CYBMUJFWSA-N 407.839 0.500 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OC(F)F)c1=O 758059966 WIXMAYMQHWKHGQ-UHFFFAOYSA-N 415.421 0.926 30 20 HCED COC(=O)COc1ccc(C(C)=NO[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 759004034 NIRCTMQTTGKQCS-ZFWWWQNUSA-N 412.464 0.671 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 761037328 OYPYBSGNBKYQQO-UHFFFAOYSA-N 404.414 0.729 30 20 HCED C#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 775330228 PZJMZNJMIMMPJI-RTBURBONSA-N 406.504 0.937 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 777296893 OIIVYEDULLGCTG-LBPRGKRZSA-N 404.423 0.983 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCN2CCNC(=O)C2)C1=O 781104159 NFHMAFIFOKZKMC-AWEZNQCLSA-N 423.926 0.839 30 20 HCED C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(C)(C)O 781862446 QXAMGEWGXPFVNI-AWEZNQCLSA-N 408.524 0.419 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2CN2CCCC2=O)nc1 787435464 YHGPPTCXLWYXER-UHFFFAOYSA-N 420.473 0.920 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 799284829 OUIARYMQGYYKAE-RTBURBONSA-N 414.506 0.682 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800099916 MVQMWFGBEBZELL-CQSZACIVSA-N 415.541 0.516 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](CN2CCOCC2)C1 801014373 NNOLAHQWKRISRL-OAHLLOKOSA-N 406.508 0.296 30 20 HCED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)NC(=O)OC(C)(C)C 804042013 GYHWBLBPBYKJEX-LLVKDONJSA-N 407.475 0.284 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)c1 807371558 KTJNOPFILLQEMQ-AYHJJNSGSA-N 412.490 0.837 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[S@@](=O)Cc2ccccc2)c1 810372542 FYMMRUKVGIVYBC-AREMUKBSSA-N 405.501 0.902 30 20 HCED CC#CCS(=O)(=O)NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 810778977 TVKBOWVOIRTUHR-UHFFFAOYSA-N 414.505 0.759 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(C)c2)c1=O 917782975 BBVUIDWORIVJJT-UHFFFAOYSA-N 402.476 0.325 30 20 HCED COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCNc3ncccc3C#N)cc2)[nH]1 918577193 GZCRTGQHHKJOIO-UHFFFAOYSA-N 420.429 0.990 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 919181526 LFVBHLPZPRPOQL-CEQIKUNHSA-N 419.453 0.928 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 919182816 UGCDDWZXOMTJLP-NVXWUHKLSA-N 405.426 0.635 30 20 HCED C[C@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 919549316 NLAXNBSSOCDQQR-SMDDNHRTSA-N 417.447 0.175 30 20 HCED 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0.942 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccs1 1303866809 LHQQSHYLSPJFIO-QWHCGFSZSA-N 410.525 0.921 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1314555506 IULWEGKKWAFWPR-AWEZNQCLSA-N 405.484 0.317 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(C(N)=O)C3)CC2)cc1 1318553406 XMJPEIMVURJHNZ-HNNXBMFYSA-N 405.480 0.228 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCC(C(N)=O)CC2)CC1 1320976349 TWBTZYIFGBOSAU-UHFFFAOYSA-N 406.490 0.952 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc(C(C)C)n2)c1=O 1335899105 ZTLJHWYIFLIMPS-UHFFFAOYSA-N 416.528 0.389 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1359150906 ITHHMKNHJYZZGE-LBPRGKRZSA-N 422.960 0.946 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1468295577 JBQMYZRJZGWZMC-QFBILLFUSA-N 422.507 0.704 30 20 HCED CN(C)C(=O)N[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1468922371 XPOVLLWDDRSIPC-ZDUSSCGKSA-N 407.496 0.377 30 20 HCED 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IGKIGJQCMACQCX-MRXNPFEDSA-N 417.388 0.243 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CSc3nc[nH]n3)CCO2)C1 1840381990 YPUQHKHFPDJGQR-RDTXWAMCSA-N 409.512 0.565 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840435568 CYDPHCKBTYQBDR-FQEVSTJZSA-N 403.483 0.340 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840445936 VGPMWOPLKRVFDB-FQEVSTJZSA-N 421.498 0.107 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840842929 KFEFKASJMKFJIH-NRFANRHFSA-N 416.478 0.408 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCN2C(=O)C=CC2=O)c1 1847949579 CLVLGFLPDGOFGV-IRXDYDNUSA-N 410.405 0.828 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 16865337 MSXMAYBLNOQSKG-SNVBAGLBSA-N 400.413 0.149 30 20 HCED N#Cc1ccnc(N2CCN(CC(=O)NCCOc3ccc4c(c3)OCO4)CC2)c1 52508912 ABXSLHNDUSUZOT-UHFFFAOYSA-N 409.446 0.999 30 20 HCED CCN1CCN(C(=O)[C@H](C)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 140299986 NKHAAKRIUKXTAI-KRWDZBQOSA-N 419.551 0.417 30 20 HCED COC(=O)[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(OC(F)F)cc1 409497814 FYSRGOUZIYVIBB-CHWSQXEVSA-N 405.379 0.561 30 20 HCED COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c1 409551047 AWVKJPBHOQHIHX-AWEZNQCLSA-N 410.496 0.798 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 426880003 YJSJBFYCWRPKLT-UHFFFAOYSA-N 403.464 0.373 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 428402767 SMYINMADYHDBBY-UHFFFAOYSA-N 406.898 0.925 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CN[C@@H](C(=O)OC)c2cccc(C#N)c2)c1 434874071 OHENKCLOGURPDM-GOSISDBHSA-N 416.459 0.909 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)[C@H]4CCCC[C@H]43)CC2)o1 438563508 USNBAAOBRGINGI-SJORKVTESA-N 421.523 0.545 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 438944529 DOSBBFZGUMSNLJ-GBOPCIDUSA-N 423.403 0.580 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C)CC2)cc1 443126935 AWJUTYMXUXGTFU-UHFFFAOYSA-N 408.462 0.988 30 20 HCED C=CCNC(=O)Cc1noc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)n1 445330336 FAKYZVNWGDTLHK-UHFFFAOYSA-N 419.507 0.729 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@]12CCCO2 460661092 IYHPYHPPXLSDRF-QINHECLXSA-N 410.434 0.920 30 20 HCED C[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1 462118383 VUJDOHNCJKQMRY-YJBOKZPZSA-N 418.519 0.109 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 463521238 ZEFTWSJJMNINMT-UHFFFAOYSA-N 415.446 0.693 30 20 HCED Cn1c(=O)c2ccn(CC(=O)NCCSCc3ccccc3C#N)c2n(C)c1=O 465059617 VZUZWGHSOYYYLY-UHFFFAOYSA-N 411.487 0.960 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 474219152 VTICXVBEZZMGGA-UHFFFAOYSA-N 415.537 0.928 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475927778 SDEUFTPVYXHAPF-IAGOWNOFSA-N 404.492 0.447 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H](CO)[C@@H]3CCOC3)n2)c(F)c1 485320781 KPEOBTNRHBDRNK-ZIAGYGMSSA-N 401.398 0.583 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486022072 YCPNBJNZUZHRKE-KKSFZXQISA-N 409.446 0.496 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 502425838 QETXEEJOMJCPAO-UHFFFAOYSA-N 419.507 0.567 30 20 HCED Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)NCCn1cnc(C#N)n1 505818238 AELXQSAMNVDVPF-UHFFFAOYSA-N 414.241 0.897 30 20 HCED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 506035621 HXEMWACFYLNQGC-IKGGRYGDSA-N 408.499 0.105 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 506120207 BHRDQEZFHGWYMM-IBGZPJMESA-N 411.572 0.922 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 506215602 OYFHKAZPBBDKEN-GFCCVEGCSA-N 403.913 0.705 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 506748237 LDCYVPHGYLRGFH-AWEZNQCLSA-N 408.480 0.635 30 20 HCED Cn1cc(S(=O)(=O)NCCN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 513978234 HWLJMRPESITMNW-SCLBCKFNSA-N 400.464 0.044 30 20 HCED Cn1c(=O)c2cc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cnc2n(C)c1=O 518179951 IIRNHBIPIBOVNL-UHFFFAOYSA-N 420.433 0.253 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cnn(CC)c1 523576936 KSOKNPYXXVFDOH-UHFFFAOYSA-N 406.471 0.316 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2)c1=O 523745084 IUPCSWPCLFOBLT-HNNXBMFYSA-N 415.515 0.600 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 524296764 KAXAHAXPPBLIGW-CYBMUJFWSA-N 402.480 0.728 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 531710561 YHGYQWBIBYKZPW-ZBFHGGJFSA-N 423.491 0.796 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1=O 550492754 ILADWEBAABXSDS-IBGZPJMESA-N 414.506 0.380 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1c(C#N)c(=O)n(C)c(=O)n1C 561447243 VORLOEGVGYAFID-UHFFFAOYSA-N 411.871 0.308 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)C2CCN(C(=O)C[C@@](C)(O)C=C)CC2)CC1 566945545 HWEYLIBVIKWAPW-FCHUYYIVSA-N 421.538 0.550 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)c1C#N 569371188 WAPPSGZROBFLOO-UAGQMJEPSA-N 400.483 0.323 30 20 HCED CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C12CCCC2 575469499 HIMXLRREWXURGJ-HOTGVXAUSA-N 402.499 1.109 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)cc1S(N)(=O)=O 584105499 BYVQOIKHHDOPJE-UHFFFAOYSA-N 402.432 0.778 30 20 HCED CN(c1ccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1)S(C)(=O)=O 585712065 BJTGIBNUCPRVJN-UHFFFAOYSA-N 400.460 0.887 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CN(C)CCO1 588866400 RNFWUOOHFBMESK-JCGIZDLHSA-N 413.478 0.005 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cc1 589454249 QECWTZKYWKLLAF-KRWDZBQOSA-N 404.492 0.886 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 590907072 PLLHOYMWMYMVLF-AWEZNQCLSA-N 415.515 0.983 30 20 HCED C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 610406208 JIHIBBJLWLTJCB-YOEHRIQHSA-N 408.466 0.712 30 20 HCED COC(=O)c1ccc(C(=O)NCC#CCNC(=O)c2ccc(C(=O)OC)cn2)nc1 614022084 NWMVRZZLBACALC-UHFFFAOYSA-N 410.386 0.213 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1 614602318 NCBXAYCLTKSAAC-UHFFFAOYSA-N 422.551 0.777 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)cn1C 619491795 RCUNUVIZYMSEKL-UHFFFAOYSA-N 423.520 0.490 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c1=O 677123784 NYVCROFYUCDGCR-UHFFFAOYSA-N 415.519 0.333 30 20 HCED Cn1cc(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O 729186202 FYCMJGSDWGFCIB-KRWDZBQOSA-N 409.402 0.965 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCOC2)c1 730396235 OBPBNQGOKHRCKJ-ZDHNHOGNSA-N 408.480 0.685 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 731125673 GYLVWVVRPFKNET-UHFFFAOYSA-N 419.445 0.663 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 732490857 FDCOJHXEGBDYER-KRWDZBQOSA-N 423.491 0.242 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 733148996 SWKBHWOGQNVGNZ-MRXNPFEDSA-N 423.510 0.662 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 740516524 HCWORTMUEIFWRV-UHFFFAOYSA-N 402.520 0.805 30 20 HCED COc1cc(CN2CC[C@@H](NC(=O)C(=O)Nc3cnn(CC#N)c3)C2)cc(OC)c1 746436231 KYLUCHNTNODLHA-OAHLLOKOSA-N 412.450 0.753 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(CC)s2)c1=O 752186506 XXUUZUMAPDJIRY-UHFFFAOYSA-N 418.544 0.770 30 20 HCED CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)CCCc1[nH]nc(N)c1C#N)C2=O 755865553 HJYSRQWZSPCHGV-UHFFFAOYSA-N 416.486 0.260 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C(C)C)s2)c1=O 758090426 QYSSVVNKLAJZOZ-UHFFFAOYSA-N 416.528 0.389 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O 758473860 RAZIDLRVROPENF-LBPRGKRZSA-N 414.484 0.433 30 20 HCED CCn1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c([N+](=O)[O-])n1 758644402 LYUFWPMBXHDIKE-QWRGUYRKSA-N 414.444 0.849 30 20 HCED CCNC(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758777726 PHVZPTVLWSQFEF-GJZGRUSLSA-N 408.503 0.209 30 20 HCED COc1cc(N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc(OC)c1OC 758937780 YQBZBXAFOIZLLA-UHFFFAOYSA-N 415.450 0.308 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 761025830 XTRLJNQLBTYZAM-ZDUSSCGKSA-N 414.915 0.761 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)C[C@H](O)c1ccccc1 770836829 UNQUBOUKJLXMIF-FNHZYXHNSA-N 417.487 0.826 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N3C[C@@H](C)O[C@H](C)C3)no2)c1 771226787 XRVSKYWNLCKTKT-ZIAGYGMSSA-N 418.475 0.826 30 20 HCED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)ccc21 776144776 VDNHFSWYDLODNP-UHFFFAOYSA-N 406.464 0.321 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCn1nnc2ccccc2c1=O 781593930 STSVVOJPVIGNRJ-UHFFFAOYSA-N 401.379 0.697 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1)[C@@H]1CCCO1 782126666 YVMJQXRPJAVGDT-UXHICEINSA-N 412.490 0.586 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 782988005 SXOUWANZHDBQHF-MRXNPFEDSA-N 400.522 0.811 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 783616584 LKVGQRABAGSYNA-UHFFFAOYSA-N 424.928 0.595 30 20 HCED C#C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 784850556 YHKKRLJPYDHBNJ-ZDUSSCGKSA-N 409.464 0.183 30 20 HCED CS(=O)(=O)N(CCOC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1 791393821 WYLCHYAOEHFSHN-HNENSFHCSA-N 421.475 0.908 30 20 HCED COC(=O)c1nn(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c(=O)c2noc(C)c12 793593092 VITBOQYGJPIACP-ZDUSSCGKSA-N 410.390 0.857 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(Cc3ccon3)c2=O)c1 794640799 SJXWHZBCJWAIDY-HNNXBMFYSA-N 424.482 0.783 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)o2)c(N)n(Cc2ccccc2)c1=O 796149073 WNKSVQANJONCON-UHFFFAOYSA-N 408.370 0.682 30 20 HCED COc1cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1C#N 799729276 NTEDJJMWLCQAIX-MRXNPFEDSA-N 413.521 0.201 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 800100928 OUOUISUHKNMERN-AWEZNQCLSA-N 419.887 0.841 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCCC[C@@H]3C3OCCO3)CC2)nc1 804401725 NAVFTFLTDAZJRL-QGZVFWFLSA-N 413.478 0.792 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc4c3ncn4C)CC2)o1 805673311 MRGUKBXNPUGSRN-UHFFFAOYSA-N 409.406 0.642 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC4(CC3)OCCO4)C2=O)cc1 808241352 SSZIOPROHRBUFH-QGZVFWFLSA-N 412.446 0.141 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc1C#N 809502290 KEQPRMCGZAYKLG-UHFFFAOYSA-N 401.467 0.835 30 20 HCED COc1cc(N2C[C@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)cc(OC)c1OC 816759505 NYHQGPAEGAKYMC-YPMHNXCESA-N 407.423 0.562 30 20 HCED NC(=O)C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 818562586 RETNGJMMKGKHOS-OAHLLOKOSA-N 400.460 0.848 30 20 HCED CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)n(C)c1 831422082 UFPQHPMCDOVOKU-UHFFFAOYSA-N 421.527 0.937 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)cn1 839229595 IJFFCPBCCAVGGV-UHFFFAOYSA-N 405.483 0.473 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2cccc(OC)c2)c1 899977548 QPBPCAYATYOUCT-UHFFFAOYSA-N 415.471 0.767 30 20 HCED CCn1c(N2CCOCC2)nnc1S(=O)(=O)CCC(=O)Nc1cccc(C#N)c1 1252172050 HNWQOADQIMIMPZ-UHFFFAOYSA-N 418.479 0.809 30 20 HCED N#C[C@@H](C(=O)Nc1ccccc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1263375073 FFQMRGINXYIJFS-UONOGXRCSA-N 402.432 0.499 30 20 HCED CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1313957686 WZNJTOYRRSFPTF-MSOLQXFVSA-N 403.531 0.538 30 20 HCED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1314993752 PUJZDBDOIPYIHO-INIZCTEOSA-N 405.466 0.956 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(C(=O)N4CCOCC4)CC3)CC2=O)cc1 1318042132 WJSMRZYXFHSMTG-KRWDZBQOSA-N 411.462 0.508 30 20 HCED CN1CCN(C(C)(C)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1318552964 LBXLXKVWTVZMJT-UHFFFAOYSA-N 407.540 0.257 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 1326167593 QLXRPUOLFIUEFY-ZDUSSCGKSA-N 409.464 0.858 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)NC3(C#N)CCN(C)CC3)CC2)cn1C 1327344319 XYEDDMMQPQJOLZ-UHFFFAOYSA-N 408.528 0.233 30 20 HCED N#CC[C@]1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 1463959298 AWODYIJOXLDEEJ-AWEZNQCLSA-N 416.253 0.819 30 20 HCED COc1cccc([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N(C)C)c1 1468018450 QVUFFMRZDCAQCU-INIZCTEOSA-N 400.439 0.431 30 20 HCED CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508818869 RGHNFUNBKPOAHP-QGZVFWFLSA-N 422.493 0.803 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)CC1CC1 1516596047 GENVQNNLWYKHEX-QGZVFWFLSA-N 422.555 0.816 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CCO1 1554445281 XEHIQZBHGNZPJG-KRWDZBQOSA-N 421.465 0.450 30 20 HCED Cn1cc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1618408178 IWMJGPVIJLSCKT-HZPDHXFCSA-N 419.511 0.275 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c[nH]nc1C(F)(F)F 1662842743 TXOHTLVAQPTWMI-SECBINFHSA-N 401.374 0.990 30 20 HCED N#Cc1cn(CCNS(=O)(=O)Cc2ccccc2Br)c(=O)nc1O 1663203079 ZFPBEZFDQDLJLC-UHFFFAOYSA-N 413.253 0.703 30 20 HCED CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1696593084 YMILEOLDMLVEJN-GFCCVEGCSA-N 403.468 0.087 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC12CCOCC2 1741943702 HTIMXCCTVUSLIF-KKUMJFAQSA-N 424.527 0.434 30 20 HCED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1750389031 QWXYONRJUVOJEY-INIZCTEOSA-N 423.539 0.852 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(F)c1 1751235683 OQPAUOXYNBLKHK-DOMZBBRYSA-N 408.459 0.804 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NC1CCCCC1 1761238376 PZHDXHQXUYGAQA-HNNXBMFYSA-N 403.487 0.594 30 20 HCED CCC(O)(CC)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764300296 FGDJSHVLHMVIJJ-HZPDHXFCSA-N 401.515 0.957 30 20 HCED Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCN2S(C)(=O)=O)cn1 1768999858 IXJOLRXYFAVIRO-MRXNPFEDSA-N 418.527 0.843 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777831983 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CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 441213453 YQPYOIHAYPNELT-HXUWFJFHSA-N 413.434 0.732 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)C1CC1 441926990 WNBGFXYOLPPUBH-CQSZACIVSA-N 401.471 0.770 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCCN2C(=O)CNC2=O)c1 443469198 RDZWCAOMIBZQEN-UHFFFAOYSA-N 401.242 0.541 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 443527646 BPWWRHQOUNJKPN-LBPRGKRZSA-N 416.253 0.373 30 20 HCED C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 448417741 NLGKPYULNMYUJU-HRAATJIYSA-N 411.462 1.304 30 20 HCED Cc1nc([C@H]2CCCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)n[nH]1 460717382 JKKWPARIQFHJKZ-HNNXBMFYSA-N 419.449 1.219 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 461288838 FLHWLWFTCQWUBM-OMNBBPDLSA-N 406.402 0.548 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC1CCN(S(C)(=O)=O)CC1 462000019 AFMUXJSWRQGHBV-UHFFFAOYSA-N 403.468 0.993 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 463343797 OUVGWYGQHQYXNH-UHFFFAOYSA-N 414.465 0.535 30 20 HCED Cc1ccc(C(=O)NC(C)(C)CCS(C)(=O)=O)cc1S(=O)(=O)NCC#N 464337218 ZPUSUYDUAYTIIP-UHFFFAOYSA-N 401.510 0.740 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(CCN(C)C)CC1 465224240 MUZVZHLCWRIFBH-MRXNPFEDSA-N 400.531 0.594 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)n1cnc(C#N)n1 466946893 PKIPTHAUGZBZSV-LBPRGKRZSA-N 419.423 0.152 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)ccc21 471025292 KRIPAHDEULRQGE-HOTGVXAUSA-N 400.435 0.162 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 478321417 WEXRCVZPLBMYBP-MRXNPFEDSA-N 421.523 0.617 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480964432 YFKKINDVVKKISR-UHFFFAOYSA-N 409.471 0.760 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 490079901 MFOKTDZZBMXWSK-HNNXBMFYSA-N 400.435 0.603 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)C2)cc1 493887801 HTGZEGZFFYTADY-NRRJATNASA-N 413.521 0.411 30 20 HCED C=CCN1CC[C@H](N(C)[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1=O 500016870 SOXDPDZYDZFTFE-VBQJREDUSA-N 408.524 0.618 30 20 HCED CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NCC(=O)NCC#N 511916886 PXRHORNWLSQKKS-UHFFFAOYSA-N 416.301 0.798 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 513630776 SKAZUZPNXKZRRL-ZIAGYGMSSA-N 409.512 0.493 30 20 HCED CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1C 515326155 UPWQXLIEIUARFE-RTBURBONSA-N 411.506 0.968 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3nc4c(cc3C#N)CCC4)CC2)C[C@H](C)O1 515546227 SJJAVFBMEIBPHB-GJZGRUSLSA-N 405.524 0.918 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)CC2)c1C#N 518255061 SYWZPQJADUWSLF-OAHLLOKOSA-N 400.483 0.467 30 20 HCED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 518982795 VHALWBGGGLGSGO-UHFFFAOYSA-N 415.522 0.631 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)cc2)c1N 522690287 IFPBEKFYAVFZRA-UHFFFAOYSA-N 420.433 0.634 30 20 HCED COCc1cccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)c1 525263322 CXDMQRIMWBUGCL-UHFFFAOYSA-N 413.499 0.660 30 20 HCED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NCCC(=O)NC(N)=O)cc1 536996890 MBGBRMGXWOMFRK-UHFFFAOYSA-N 423.429 0.971 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 537261659 BFWSCMHNNIUOIP-AWEZNQCLSA-N 422.507 0.607 30 20 HCED C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCOC1 544472580 UDGQYRBJNZEKSP-AEFFLSMTSA-N 420.535 0.796 30 20 HCED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 551847707 XCVPSCBMJMNCPZ-UHFFFAOYSA-N 401.467 0.904 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(S(C)(=O)=O)CCCC1 553571822 ZTJJQJKQQZSGNW-CYBMUJFWSA-N 413.521 0.699 30 20 HCED CC1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 556071923 XTVRRYCOJBFEHW-LJQANCHMSA-N 411.506 0.623 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)ccc1C#N 562152125 KCIRTZUVDOGOLE-UHFFFAOYSA-N 407.390 0.806 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)ccc1C#N 570734725 JVSIHJNDSSKXHA-UHFFFAOYSA-N 412.402 0.694 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 592990615 XICLRXHQQLYHOD-UHFFFAOYSA-N 415.475 0.734 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(C#N)CCN(C)CC2)cc1 603884701 GPEYENINOKRJGB-ZDUSSCGKSA-N 407.496 0.416 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2CCO)CC1 610676426 OXLRNXWXFGMXNL-SFHVURJKSA-N 420.535 0.628 30 20 HCED C[C@H]1CC(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 611178164 VIESWYOCEIINGZ-AWEZNQCLSA-N 412.450 0.665 30 20 HCED C=CCc1ccc(OCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c(OC)c1 614447525 RERAEXXCVAAADQ-UHFFFAOYSA-N 400.439 0.160 30 20 HCED N#C[C@]1(F)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 615647065 WQLWUYJSAMVRAR-GOSISDBHSA-N 410.471 0.261 30 20 HCED N#Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 725816797 XEPFVGRCLBZUJI-UHFFFAOYSA-N 409.445 0.742 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 726043167 KYPAQBCAQIGQRC-UHFFFAOYSA-N 405.319 0.481 30 20 HCED CC1(C)NC(=O)N(CCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1=O 726991802 HENLKJVBAMHTEF-UHFFFAOYSA-N 424.417 0.946 30 20 HCED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)N1CCS(=O)(=O)CC1 732910285 MSZUPXWNVGAUHH-OLZOCXBDSA-N 423.878 0.659 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)ccc1F 736268969 BODNFUMQGVJTIK-VXGBXAGGSA-N 404.485 0.938 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 740509559 AODDGIFXMDTBLQ-CYBMUJFWSA-N 413.521 0.421 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 742620925 KEGXDHDYDWTJHW-DGCLKSJQSA-N 402.480 0.535 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(N)=O)c2)c1 742769618 IFBKYGVUOKTFMG-UHFFFAOYSA-N 401.444 0.392 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 743887444 AQICEHHSWRVBLZ-QGZVFWFLSA-N 403.410 0.626 30 20 HCED Cn1c(=O)c2cc(C(=O)OCc3nnc(-c4cccc(C#N)c4)o3)n(C)c2n(C)c1=O 744850923 OZYNNQDZJKLTCW-UHFFFAOYSA-N 420.385 0.854 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)ON=C2C(=O)Nc3cc4c(cc32)OCCO4)CC1 749787463 OJFFSRQDUPUKBF-NSHDSACASA-N 402.407 0.210 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 751618711 BRCRGCKASGDIPX-UHFFFAOYSA-N 400.416 0.215 30 20 HCED COC[C@H](C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 756655211 OWQVYTBWYRIRHA-OAHLLOKOSA-N 423.491 0.607 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 756771386 WPDBGNLNOHIZKX-VXGBXAGGSA-N 406.447 0.247 30 20 HCED CS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)cc1 758135738 UFAIGHFRCOUJRK-UHFFFAOYSA-N 421.504 0.836 30 20 HCED Cn1cc(S(=O)(=O)Oc2ccc(Br)cc2C#N)c(=O)n(C)c1=O 759271383 DIFCTFJNWJMOOO-UHFFFAOYSA-N 400.210 0.486 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CC(=O)NCC#N)C1 759490969 YRLHAKRJCTVSSD-JKSUJKDBSA-N 407.515 0.854 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1ccc(OCC#N)cc1 763038288 IHFSHLRYIYJHBU-ZDUSSCGKSA-N 416.459 0.671 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCc1nnc2n1CCCC2 765395025 BULHCIFIQVRBMM-UHFFFAOYSA-N 416.507 0.792 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CC2)C1 766043843 HZXBRWUXEGOYME-CQSZACIVSA-N 414.528 0.973 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)cc1 766758100 VQTVRYXCWHITGL-UHFFFAOYSA-N 406.508 0.760 30 20 HCED CCCN(C)S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 770624502 XYWLZSCCIUJESU-NSHDSACASA-N 402.498 0.207 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)[C@@H]1CCCO1 773795720 KOKYSFBVWOJVPG-RDJZCZTQSA-N 405.476 0.770 30 20 HCED CON=Cc1ccc(C(=O)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 774912026 UJDSKGQKGGAJTH-UHFFFAOYSA-N 402.432 0.976 30 20 HCED C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 782749501 IUQFORJOPNULHG-SECBINFHSA-N 407.433 0.778 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1 782969497 XFYSPFHQVZLLJH-MRXNPFEDSA-N 408.476 0.689 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(S(=O)(=O)CCO)cc3)nc12 783303294 BJNJKABSCOJXEJ-UHFFFAOYSA-N 402.388 0.430 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCOCC1=O 785280993 CPSZQVSQOLIBHW-HNNXBMFYSA-N 423.491 0.686 30 20 HCED NC(=O)c1cc2c(nc1O)CCCC2=NNC(=S)NCCCN1CCOCC1 788964164 LGJQUZPXUFWGSA-UHFFFAOYSA-N 406.512 0.113 30 20 HCED CN1CC[C@@H](C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 790841892 PYJLTJHFODDMEM-SECBINFHSA-N 400.254 0.994 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 792872453 OCTFXSHUHDJOKP-FQEVSTJZSA-N 406.552 0.363 30 20 HCED Cn1nncc1CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 807936854 UAVWLAWEIMSQOS-BSBNDGSWSA-N 413.507 0.922 30 20 HCED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 808029035 PDVKUHHSBSKUJN-ZFWWWQNUSA-N 402.455 0.464 30 20 HCED CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 810393988 MJAMFIOTDVQTTD-CYBMUJFWSA-N 418.397 0.458 30 20 HCED CCOc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC(=O)NCCOC)cc1 914550654 RDZPGOSYFAUEDK-HNNXBMFYSA-N 422.507 0.916 30 20 HCED CCn1cc(C#N)c(=O)n(CC2=C(C(=O)OC)[C@@H](c3ccccc3)NC(=O)N2C)c1=O 915794646 KENCYHTVEMQVRO-QGZVFWFLSA-N 423.429 0.725 30 20 HCED CN(Cc1nnc2n1CCC2)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 919881541 YWOAIDZBKSGITD-UHFFFAOYSA-N 402.480 0.702 30 20 HCED C[C@@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCC#N 920709403 YHRRNJDAMDUOAU-GFCCVEGCSA-N 412.424 0.567 30 20 HCED O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCCN/C(O)=C1/N=CC=CC1=O 1116178876 UKNVMVYONFNEIA-LNJFNSDHSA-N 419.459 0.598 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 1143615475 MSHJMJWZEHSDGK-KRWDZBQOSA-N 420.491 0.076 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCC(NC(=O)N3CCOCC3)CC2)nc1 1171416986 JVOIDWSZVDCSQS-UHFFFAOYSA-N 407.496 0.233 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CC(O)(c3cccc(Br)c3)C2)CCO1 1213247218 RIHOVLLEDBINAL-CYBMUJFWSA-N 402.270 0.421 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1286630659 TWJMDRXXFZPWAR-AWEZNQCLSA-N 403.936 0.701 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)CN(C)C 1288825890 NIBTWKQCMPHGRM-CXAGYDPISA-N 415.539 0.918 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1291321762 NJWWYQVAMJEAHF-MJXNMMHHSA-N 415.429 0.907 30 20 HCED CN1CCN(C(=O)CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1464527351 MSDFMPBJZIECEZ-UHFFFAOYSA-N 401.286 0.373 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1517626938 OLQUPDRTFUBANS-OAHLLOKOSA-N 406.468 0.232 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](n1cncn1)C(F)(F)F 1557933572 XVGQZBDARVYGNB-GWCFXTLKSA-N 416.385 0.736 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCCS1(=O)=O 1612598689 VFIRUSCYNIPKME-UHFFFAOYSA-N 416.511 0.215 30 20 HCED N#CCC1(O)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 1625478137 RUKDNAULYUGJCU-CYBMUJFWSA-N 413.521 0.774 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1641578856 UGQLBWRKPIGDOR-JKSUJKDBSA-N 412.471 0.644 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](CS(N)(=O)=O)C1 1664576489 NMYPQFRLNVIDFT-VIFPVBQESA-N 408.299 0.620 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)S(=O)(=O)CC 1747220220 LVGRIKFSKPAQTD-CQSZACIVSA-N 400.505 0.215 30 20 HCED CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1748377631 PQGOBOKTTZKHMT-IPYPFGDCSA-N 411.532 0.100 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)CC1 1749083795 KOIDAZOOSCLISD-UHFFFAOYSA-N 406.306 0.560 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)C1 1761543306 SZNCUSGBTAVSSA-SUMWQHHRSA-N 406.512 0.936 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1([S@](C)=O)CC1 1764910207 ZFAHXRRWKCEVNJ-LJAQVGFWSA-N 416.555 0.992 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778953873 HWYPKCSEWZZABQ-AVYPCKFXSA-N 410.515 0.097 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nn(C)c4c3CCC4)CCO2)C1 1778971936 OMEUYLZPNHXTGQ-VGOFRKELSA-N 416.522 0.925 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1779038852 CRAXNPRCLUZAHM-HXUWFJFHSA-N 415.519 0.486 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099508 HXHMALAOEBWCAC-ODSDJFLOSA-N 409.483 0.961 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1779104617 CBOPCYBNHQOAGD-DBLSVSNQSA-N 420.470 0.027 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)n(C)n1 1779134117 BVZWAOGQOOJAMT-XACCNFBGSA-N 415.450 0.584 30 20 HCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@H](C)S)C3)no1 1779435203 QUNFGTUKWREFHK-ZBQZNYHESA-N 424.523 0.545 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCCN3C)C2)C1 1781023687 HACKVRREDPXDBM-FLNVOPPSSA-N 404.511 0.159 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1781396464 MUNPUJOVMKKGPW-YWZLYKJASA-N 414.466 0.974 30 20 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413.409 0.804 30 20 HCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834634192 DOJXZCWIWPELGY-UHFFFAOYSA-N 400.470 0.858 30 20 HCED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835233779 DNRHXHLYCHZLKJ-FQEVSTJZSA-N 405.426 0.804 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)COCCOC)CCO2)C1 1835242290 RSUYXKWJAATTDT-WIYYLYMNSA-N 410.511 0.874 30 20 HCED CC(C)N1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835338318 DPEFZIQKVNZMCB-QFIPXVFZSA-N 418.538 0.867 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1835356682 GAACLHPCOOGNNC-IBGZPJMESA-N 403.439 0.039 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835375661 NLGDSPXEECFGKM-ICSRJNTNSA-N 413.584 0.883 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835592046 HFEQLUWCBZSSIL-FVJLSDCUSA-N 423.558 0.098 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835616330 GRMQTKNYCIZWKW-HRAATJIYSA-N 411.543 0.404 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)CCC1 1835704589 RELKWZIUPACXLC-UHFFFAOYSA-N 400.483 0.128 30 20 HCED CC(C)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1835880405 ROXJWVFDYJYEDB-MJGOQNOKSA-N 401.573 0.785 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836312101 CZDISLJOWFFXHW-YWZLYKJASA-N 407.442 0.882 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1837301078 JPQIZTCNSJQKCQ-UZLBHIALSA-N 403.483 0.654 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(CC)n3)C2)C1 1837395122 PRUAUHDLGDVBKY-UTKZUKDTSA-N 420.510 0.546 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1837396695 IVBHOGYGNWXSGK-KUHUBIRLSA-N 424.523 0.368 30 20 HCED CCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)COC1 1837447063 TZBPNAIENDPOLQ-MHRHTVJOSA-N 422.526 0.341 30 20 HCED O=C(/C=C/C1CC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837524695 GEZFVMWTDYOFBE-WYIFPNPKSA-N 421.494 0.938 30 20 HCED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2)C(=O)O 1837567664 RKQWYMGWMJLNMQ-IPEDIRPISA-N 419.434 0.186 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2)C1 1837698786 RVGRYAFDNVRWNM-JBYIUTFZSA-N 419.522 0.902 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(=O)oc4)C3)C2)c1 1838735162 XRLIXEHUCRUXIP-HXUWFJFHSA-N 412.402 0.223 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840449720 IZZDRYYFXWMAJV-VGSWGCGISA-N 413.474 0.719 30 20 HCED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673646 NZTGNISFMIAJFM-SSDVNMTOSA-N 420.429 0.619 30 20 HCED C#CCCCC(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1846375251 QUPDJIMKZRXNKR-HNNXBMFYSA-N 420.510 0.762 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)c1ccc[nH]1 1848179148 ONMOVVXIWIHBGS-YESZJQIVSA-N 402.495 0.910 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)s2)c1 55973280 IIXYBBVEOBCCLT-UHFFFAOYSA-N 415.518 0.790 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO 409481583 BBMKKVRZZALMQH-MOPGFXCFSA-N 410.540 0.566 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 409666773 PGZLDLUPOZIPJX-CVEARBPZSA-N 405.480 0.122 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)nn1 441776529 JXJOEAMOOVQXPF-UHFFFAOYSA-N 400.395 0.365 30 20 HCED CC(=O)N(C)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446529538 DKXJVWNRVCKRGQ-UHFFFAOYSA-N 401.467 0.682 30 20 HCED Cc1ccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1S(=O)(=O)NCC#N 474784825 NWIACKKGVRHQPA-INIZCTEOSA-N 407.540 0.553 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)C1=O 476282954 ATZWCRPZBKORBR-OAHLLOKOSA-N 414.418 0.199 30 20 HCED N#C[C@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOC1 478650117 JAKYFNVIQQSQNX-LJQANCHMSA-N 421.475 0.657 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482803868 GEYFKLAPCPFRHZ-OCCSQVGLSA-N 418.479 0.094 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2C#N)C1 486650784 LUWJNBFVOZZELL-OAHLLOKOSA-N 419.500 0.758 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCO)CSC)cc1 493533801 XOVWKNQXJMTUTF-AWEZNQCLSA-N 415.537 0.662 30 20 HCED N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC(=O)N(CCN4CCOCC4)C3)[nH]2)c1 493966833 MHWOCXAFIJRDNK-GOSISDBHSA-N 422.489 0.745 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cc4n(n3)CCCC4)C2=O)cc1 500399415 PVEJXUVQZJMTMU-KRWDZBQOSA-N 406.446 0.947 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@](O)(C(N)=O)C2)ccc1OCC(F)(F)F 505471799 NENNXWONHRBMMP-INIZCTEOSA-N 414.340 0.277 30 20 HCED N#CCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 508060458 ULKQQDLJCCESTC-UHFFFAOYSA-N 406.508 0.308 30 20 HCED Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508326631 RANOJABSOOTMBC-UHFFFAOYSA-N 400.349 0.583 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1=O 511262716 VLOUORIOFXBRMV-UHFFFAOYSA-N 413.459 0.937 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514024584 MOCWNFJDZPFURL-KUHUBIRLSA-N 419.507 0.713 30 20 HCED CC[C@H](C)[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 517693330 OESLHFRFSDVDQL-JXFKEZNVSA-N 402.495 0.916 30 20 HCED CC[C@@H](C)[C@H](NC(=O)COc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 517693333 OESLHFRFSDVDQL-UZLBHIALSA-N 402.495 0.916 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC#N)C3CC3)CC2)cc1 519193892 WPRQPJCNQQUKAH-UHFFFAOYSA-N 406.508 0.906 30 20 HCED CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1C 520701252 LXWJFTZTFUVBSC-HNNXBMFYSA-N 408.480 0.715 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 521820970 KORYTJNQWQHNGG-UHFFFAOYSA-N 417.491 0.786 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 527344753 LYWQFXPEPBZPGD-UHFFFAOYSA-N 411.480 0.689 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(N)=O 532165076 VMVMBSYHKQLSRY-SNVBAGLBSA-N 405.501 0.583 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 541364422 VHIZWVNNCVOEOL-ZDUSSCGKSA-N 411.480 0.804 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 542453598 KOTDOTYDKBREQW-UHFFFAOYSA-N 407.452 0.542 30 20 HCED CN(C)Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 550480492 ASAJQKHCZDFTOZ-UHFFFAOYSA-N 406.490 0.980 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 554726355 ITELWOMDGMMIMA-UHFFFAOYSA-N 409.446 0.586 30 20 HCED C=CCN(CCc1ccccc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 561159170 NHBLWAXEZOZVHG-QTQZEZTPSA-N 411.462 0.673 30 20 HCED Cc1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc2c1c(=O)n(C)c(=O)n2C 567771924 OTWIVNFZZDZLFF-AWEZNQCLSA-N 420.429 0.501 30 20 HCED CN(C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 569033197 GTEWAVVAJCTNOU-UHFFFAOYSA-N 416.526 0.970 30 20 HCED C=C(C)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 569383726 SXKFBYIWCGHIKS-UHFFFAOYSA-N 411.445 0.996 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 580370160 WACNJKYMOZOXCU-NXHRZFHOSA-N 400.479 0.786 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC2CCN(CC(F)F)CC2)n1 589397841 GMCAPGGFDHDTLM-UHFFFAOYSA-N 403.393 0.923 30 20 HCED CCn1c(Cn2c(=O)c(C#N)cn(C)c2=O)nc2cc(S(=O)(=O)N(C)C)ccc21 590612915 AINTXJKQVZANSA-UHFFFAOYSA-N 416.463 0.087 30 20 HCED CC(C)[C@H](C#N)N1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 609485291 MQWLYOKWIAVITE-BEFAXECRSA-N 419.551 0.777 30 20 HCED CS(=O)(=O)C1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 610181030 QOBPPVDBLCNEDJ-UHFFFAOYSA-N 413.521 0.964 30 20 HCED COC(=O)[C@@H](O)C1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 610964248 RBWFOGQNTXLNBH-SFHVURJKSA-N 401.467 0.878 30 20 HCED CCOC(=O)c1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 613563596 ZRGIMQGKJCAIHW-VIFPVBQESA-N 409.449 0.892 30 20 HCED N#C[C@]1(F)CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 615646316 RCZJHISLXOFRHM-YLJYHZDGSA-N 402.426 0.435 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(Cc2ccon2)c1=O 679753021 BGPPIAFTJDNRNI-UHFFFAOYSA-N 409.471 0.942 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCN3CCOCC3)CC2)cc1 727869370 QINYLPFERBYMCW-UHFFFAOYSA-N 407.492 0.834 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 728590281 ZUYMBRKOYJFELD-UHFFFAOYSA-N 407.389 0.900 30 20 HCED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc2c(c1)OCO2 741340620 MKRFAIDROMLELP-HNENSFHCSA-N 401.375 0.491 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(Oc3cnccn3)cc2)c(=O)n1CC(N)=O 743728658 UTVQFDRCNHRUIK-UHFFFAOYSA-N 404.411 0.004 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n1 746944513 XIUVTLNFRBQFEC-GFCCVEGCSA-N 413.415 0.430 30 20 HCED N#CC(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc(C(N)=O)cc1 748647008 XVHSQSJDRWRJOJ-UHFFFAOYSA-N 403.448 0.958 30 20 HCED CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)NC1=O 749382680 PUQYBBUUZAFRIM-CQSZACIVSA-N 420.491 0.549 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 752044940 SAZCUIDLFBPRCH-LIRRHRJNSA-N 418.475 0.048 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 755537800 NGMQEHVUXKNDMJ-OCCSQVGLSA-N 401.423 0.599 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CS[C@H]2CCS(=O)(=O)C2)C1 756920970 SAOIGTLTMBOSIK-AVGNSLFASA-N 403.526 0.782 30 20 HCED Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 758070755 VZMQVBRTKPBINT-UHFFFAOYSA-N 418.456 0.198 30 20 HCED COC(=O)c1cn(C2CN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)nn1 758971831 VOLOXLJQVRZTCX-UHFFFAOYSA-N 409.406 0.215 30 20 HCED C[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(S(N)(=O)=O)c1 761227030 JVGVKGLUFVXZSL-GFCCVEGCSA-N 416.411 0.985 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1 763435856 BARDQZNJMAMEGW-UHFFFAOYSA-N 420.494 0.599 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(CCN2CCOCC2)CC1)c1cc[nH]n1 772154511 CLGJVTITYFFXSE-UHFFFAOYSA-N 421.498 0.654 30 20 HCED CN(C)S(=O)(=O)CCCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 774525724 SKNZKIFYNPGHDU-HNNXBMFYSA-N 422.463 0.588 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 784870879 MPHFNWAYLTVDRJ-UHFFFAOYSA-N 417.487 0.903 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 787601620 FAARWVHEDMASFE-MNOVXSKESA-N 408.386 0.239 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cccn2)cc1C)[C@H]1CCS(=O)(=O)C1 789590162 RPLKVVXHFGOZKM-INIZCTEOSA-N 400.460 0.768 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1)c1cc[nH]n1 789963043 GHIJTALHGBLSHA-BZUAXINKSA-N 421.498 0.794 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2csc(C)n2)c1=O 794582521 WNADCCJYEAXCIA-CYBMUJFWSA-N 419.528 0.820 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 794645815 CQIMDJVDTZAKSU-OAHLLOKOSA-N 410.499 0.392 30 20 HCED C#CCC[C@H](O)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 798413099 QEAZJWCLFDEVSP-IRXDYDNUSA-N 402.499 0.356 30 20 HCED N#Cc1ccc(NCCNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)nc1 799883141 RCYLVJZCMLTXGV-UHFFFAOYSA-N 406.512 0.965 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 800661460 WICFOFZUJXEUFG-JSGCOSHPSA-N 411.455 0.610 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(CCC)[C@H]2CC(=O)N(C)C2=O)ccc1F 801508193 RWTWOTUUGPMEEU-AWEZNQCLSA-N 411.455 0.900 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCc2ccc(Cl)nc2)n1 806601918 UEVVJXIPGSEMIM-UHFFFAOYSA-N 403.870 0.899 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CCN1C1CC1 806894543 BKKLHHFJVWXQIH-GFCCVEGCSA-N 403.826 0.808 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 807298860 HHRPSQQUIHRMMU-OAHLLOKOSA-N 407.492 0.767 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1)[C@H]1CCCO1 809307288 BUCAQGZLWKBNCN-OWCLPIDISA-N 419.482 0.108 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(C=O)CC1 816269413 QGENHRJUOWFEDJ-INIZCTEOSA-N 406.508 0.975 30 20 HCED C[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)NC1(C#N)CCCCC1 844202436 JYHWILWFRJVHKR-LBPRGKRZSA-N 407.452 0.230 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 916870944 PBNHVQZYESWLRW-FOIQADDNSA-N 416.434 0.324 30 20 HCED CCO[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CN=c1cc[nH]c(C#N)n1 1048012302 BKWSOHKSZIBPMK-LAIHZFQQSA-N 401.467 0.097 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1ncn2nccc2c1=O 1116047039 PXYUQIHUHVEHJK-AWEZNQCLSA-N 424.417 0.778 30 20 HCED N#Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1 1166519363 WJBWHBMNEDUMPO-UHFFFAOYSA-N 412.471 0.651 30 20 HCED COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1315784903 OKCSTTDOTJRVIW-RBSFLKMASA-N 414.532 0.632 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1318172813 CBANBKFZESCEOC-UHFFFAOYSA-N 411.506 0.610 30 20 HCED C#CCN=c1nc(N2CCCN3CCC[C@@H]3C2)[nH]c(N2CCCN3CCC[C@@H]3C2)n1 1328522870 LOTQTZCQNITKJU-RTBURBONSA-N 410.570 0.688 30 20 HCED N#Cc1sc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)nc1Cl 1476723838 JSEHXOVTAJRYNS-UHFFFAOYSA-N 401.861 0.930 30 20 HCED CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1499219386 PMIMXQBEJJAUOM-INIZCTEOSA-N 404.496 0.839 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1507855128 RUMYKXPJEGMYCI-NEPJUHHUSA-N 402.908 0.452 30 20 HCED CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)Nc1ccn(CCC#N)n1 1532200318 ITYKNGFRTSPVSL-UHFFFAOYSA-N 410.477 0.867 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1543007110 ZPZRJVJWMIELSY-KSSFIOAISA-N 421.527 0.428 30 20 HCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(C)(C)O)CCOC1 1547914294 FFKGTMURIUNHQF-UZLBHIALSA-N 404.515 0.878 30 20 HCED CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1629268529 LHHHZXRBQILOSL-UHFFFAOYSA-N 401.448 0.810 30 20 HCED COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640451161 VRIPMRNBITYKBG-RISCZKNCSA-N 423.413 0.623 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2C#N)CC1 1643094210 YTIFELUHRNAKKO-UHFFFAOYSA-N 413.525 0.477 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1706748500 VYEKZFGYPHXXJJ-HOTGVXAUSA-N 422.555 0.783 30 20 HCED C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1708258649 IQGJWEOPNHLFCC-AWEZNQCLSA-N 420.495 0.503 30 20 HCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1711273861 IVJCCGLOWGIKMB-OAQYLSRUSA-N 409.494 0.585 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1750970953 ZKFNYXVWNIXUQJ-KDOFPFPSSA-N 407.544 0.582 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021215 CLNNLUWWWGOMJC-RZBRSOPZSA-N 421.542 0.593 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1779101178 KYEHOCKAIBSAAI-UAOQYHQXSA-N 418.450 0.760 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1779241217 WVMUHAAWIJBQDC-UTKZUKDTSA-N 409.527 0.960 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(C)(C)[C@H](O)C=C)C1 1779334934 ANAYBTUPHKSGHA-QNFHRHJVSA-N 421.538 0.764 30 20 HCED 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C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C(=O)OC)nc1 1847262357 VSMGHOFPBWIKDH-YHLLGKTKSA-N 412.446 0.542 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1847640511 FLHGNOWJNLKVJU-QAETUUGQSA-N 423.510 0.502 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)C1=O 64023333 PSLJCSAYMQKITC-UHFFFAOYSA-N 404.854 0.961 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCNS(=O)(=O)NC(C)C)C2)n1 428447430 MGNJJQNDLQUQGR-MRXNPFEDSA-N 408.528 0.427 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 435154219 RHEDAMSBGTWWFP-GFCCVEGCSA-N 405.354 0.629 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 439207631 USJHVQZHJQATLG-GDBMZVCRSA-N 400.435 0.792 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 441001146 CMMFVNZBHOCRRW-CYBMUJFWSA-N 412.393 0.250 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 442928630 DAHORVOFQDDSCB-UHFFFAOYSA-N 406.386 0.973 30 20 HCED Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)ccc1C#N 443905057 GUCOFOYSUCEOSF-UHFFFAOYSA-N 414.491 0.674 30 20 HCED Cc1ccc(C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 461204344 WGOBIGLOIYJFDF-MRXNPFEDSA-N 406.508 0.591 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 461790514 YZTQDXTVSOBVPA-GFCCVEGCSA-N 419.438 0.857 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1 464888671 CFIWBBDQVTYDNE-GFCCVEGCSA-N 401.452 0.889 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 479813448 RKCOHYLDQRQLKG-FQEVSTJZSA-N 410.584 0.467 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480947837 DYPFKRUXOCELMT-UHFFFAOYSA-N 401.473 0.430 30 20 HCED CCCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481234279 YKDUQFWYHYICFB-XJKSGUPXSA-N 424.548 0.995 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 481250916 DIAGQJIAXGKCBL-ZBFHGGJFSA-N 405.455 0.156 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cn1C 486126225 WLXRVRCOVRLPCM-KRWDZBQOSA-N 402.480 0.133 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 486487048 ACMZMDWKWSEQTA-KRWDZBQOSA-N 401.492 0.452 30 20 HCED CN1CCN(CCCN(C)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488272972 OSPUZRFYYOGUNX-HXUWFJFHSA-N 412.538 0.938 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)CN1CCOCC1 491458792 ODTPQPZITNJILN-OAHLLOKOSA-N 411.466 0.221 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cscn2)c1=O 497576490 KDDHSEYKHNTQHH-UHFFFAOYSA-N 406.533 0.821 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(F)(C#N)CC1 506549354 PATQJKIWVDMBEK-UHFFFAOYSA-N 412.443 0.738 30 20 HCED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508924129 XAPXDGICODWTRR-UHFFFAOYSA-N 400.487 0.969 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 511742097 KHJATCBKRZFTPH-SNVBAGLBSA-N 418.397 0.913 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 513112405 ZGMOMLRKPGJIKI-YQQAZPJKSA-N 408.549 0.576 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 514654600 MYEGDOLRXSMXKC-UHFFFAOYSA-N 417.487 0.595 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)C1=O 519141073 JSWCAHYCMPSULE-ZDUSSCGKSA-N 420.422 0.643 30 20 HCED COC[C@](C)(C#N)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 531877718 OFURIOCWPYTLEP-SFHVURJKSA-N 407.496 0.801 30 20 HCED CCO[C@H]1C[C@@H](O)C12CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 532582115 KKUJSEBOCLCPEJ-MSOLQXFVSA-N 417.510 0.755 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 537426389 UCKVLLLORMKCQQ-UHFFFAOYSA-N 404.242 0.361 30 20 HCED CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 538348833 XSPHABGDYXWDMJ-ZWKOTPCHSA-N 423.514 0.158 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2OCC(C)C)CC1 551859879 WMBKOVWWXTZVEE-UHFFFAOYSA-N 416.522 0.784 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCOc2ccc(F)cc21 554196200 MWLKIVSSRRIHFX-AWEZNQCLSA-N 400.414 1.034 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)C2=O)cc1 554694482 KKLAJHSOQLFWKN-RDGPPVDQSA-N 410.474 0.849 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4cccnc4)CC3)CC2)o1 560971695 QFYPJIDBEHQMHU-UHFFFAOYSA-N 409.494 0.716 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 561453269 SXHNYHIDHBBVRM-KRWDZBQOSA-N 400.479 0.765 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 570151383 FMNWRIPVQZZNGF-HNNXBMFYSA-N 407.496 0.275 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCN(C4CCCC4)CC3)C2=O)cc1 580490440 QRSCAZPEWPEWGY-HXUWFJFHSA-N 423.517 0.862 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)nc1 586838348 YKGRJIIXTYUGGY-UHFFFAOYSA-N 420.464 0.884 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccnn1C 589211643 CQLIOTVBZYLSLT-QGZVFWFLSA-N 409.494 0.891 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CC(N)=O)cc1 589534241 XAXDHPJMXBHMHB-CYBMUJFWSA-N 400.460 0.569 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CC(N)=O 609416542 RCKAKSGCQNMWSY-UHFFFAOYSA-N 418.544 0.438 30 20 HCED CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 609470414 ABLMMGLNDIAWGC-OAHLLOKOSA-N 409.487 0.953 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 609522342 BQCQUAANPUAKQO-INIZCTEOSA-N 416.478 0.337 30 20 HCED CCOC(=O)c1c(F)cccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 611593652 YILMCURGPPJTAQ-UHFFFAOYSA-N 402.386 0.867 30 20 HCED CCC(=O)N1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCCN1C(=O)CC 680339159 DETMEJPTKNEOEY-QZTJIDSGSA-N 418.538 0.804 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1=O 726044052 ZZICBEDEGZHEJI-GFCCVEGCSA-N 401.375 0.736 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(NC(=O)c3cnn(C)c3)cc2)C1=O 729374589 RMQIJVRPDJIZJZ-UHFFFAOYSA-N 411.374 0.555 30 20 HCED Cc1ccc([C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCOCC2)o1 732442298 UXYJZEOIOJMZNV-RAJOGRCSSA-N 417.466 0.787 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 734572096 DMQMPVIMYGHDNH-QGZVFWFLSA-N 417.443 0.866 30 20 HCED COc1cc(OC)cc([C@@H](O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 735757682 IGVYEBRSFOCJNR-QCPHZMBFSA-N 404.423 0.563 30 20 HCED C#CCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 740736424 TXLPXNCECKDRNU-UHFFFAOYSA-N 418.519 0.025 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)C(=O)C1 741375773 ZLQANGUUONQMMC-KRWDZBQOSA-N 416.434 0.707 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(F)c1C#N 742269887 NZZIXQMJZACFHQ-LLVKDONJSA-N 403.457 0.011 30 20 HCED C[C@H](OC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)N(C)CCC#N 744759981 PKMWPLLOEXRHFD-QRTARXTBSA-N 405.426 0.634 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(C#N)c1C 745443399 DSSYYPAZCRWJHS-QAFSRLRVSA-N 415.402 0.801 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCNCC1 746285695 VPFITSFYQMGFAN-MRXNPFEDSA-N 407.540 0.305 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c1 748744910 YCVLKLQQXXLTHH-MRXNPFEDSA-N 407.517 0.736 30 20 HCED C#CCN1CCN(C(=O)CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)CC1 749115107 HAGJSJCQGKKJNM-UHFFFAOYSA-N 405.587 0.180 30 20 HCED CC(C)[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 750258528 GBMFZXNLNIJERE-JJTVEENBSA-N 410.496 0.571 30 20 HCED Cc1oc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 753803913 IMFLORQWKQGXEO-UHFFFAOYSA-N 411.461 0.970 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C#N)C1 754390444 WBIRNVOCGGBSDK-NSHDSACASA-N 414.509 0.909 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758641769 CALZVETXCXZOAJ-ZJUUUORDSA-N 416.481 0.967 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)C1 758758478 IGBKSONGYMUQLN-GXTWGEPZSA-N 400.501 0.964 30 20 HCED C#C[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H]1CCCO1 760516323 IGOJAKPKPWWEJW-BZSNNMDCSA-N 421.519 0.513 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 761033065 QFEVWNLSELAKOA-OAHLLOKOSA-N 412.943 0.945 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)O)[C@@H]1CCCOC1 762237640 LVCWEXQOPNEDBE-WBMJQRKESA-N 409.464 0.501 30 20 HCED C[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCS(=O)(=O)C1 762660035 VJVABZFBBPEBJV-CHWSQXEVSA-N 413.521 0.397 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(CCO)CCOC1 773060294 WVKMSAHCFNPQAN-LJQANCHMSA-N 409.508 0.943 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC(=O)N2CCOCC2)c1 776467608 QAPPXTVJNZKMDZ-PGMHBOJBSA-N 423.495 0.480 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CCNS(=O)(=O)c3ccccc3)nc12 782071893 CYIWGPAEFVJMDP-UHFFFAOYSA-N 401.404 0.718 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 783546883 DQKJVLWFFBWAJY-UHFFFAOYSA-N 416.521 0.347 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 783617133 AHACBVZFIFGZPT-UHFFFAOYSA-N 402.494 0.275 30 20 HCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCCC#N)C1=O 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HCED C=CCN(C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C(C)C 806270534 WSTGPEWINSPQHA-QGZVFWFLSA-N 416.526 0.821 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1 809542943 IFHNCGXDPRHGTO-OTWHNJEPSA-N 414.506 0.955 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccc(F)cc1 813039346 LZPHFJOEWWCFIZ-KRWDZBQOSA-N 414.441 0.129 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1ccc(N2CCCC2)nn1 816129539 BEGGMGJJHMLTKV-UHFFFAOYSA-N 402.392 0.975 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 916889210 LYRBIWPZYBLZPN-CKEIUWERSA-N 423.491 0.570 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 917768921 NYQGZGMOBHCWLC-UHFFFAOYSA-N 422.488 0.554 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C1CC1 919179365 DNOAQTMAVCNRJI-QLVMHMETSA-N 417.437 0.682 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286960931 REUUQQJBCDJFFA-LSDHHAIUSA-N 423.543 0.534 30 20 HCED 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C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837106168 NXWYBXUIZOUZEC-ORAYPTAESA-N 404.492 0.951 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1837396770 JOYJFHASRUQJAF-XMSQKQJNSA-N 423.554 0.502 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nn1C(F)F 1838705284 QLAGMNNELIIUDR-SFHVURJKSA-N 411.409 0.960 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838723701 JOOZQEKJVCTQSZ-OAQYLSRUSA-N 417.462 0.904 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(=O)cco4)C3)C2)cc1 1838950394 RTBAZQHCADQIEJ-JOCHJYFZSA-N 423.425 0.895 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCN(C)C3)CCO2)C1 1839062659 FYTCDKMUQXMGMU-LVCYWYKZSA-N 409.527 0.376 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453839 GUGJIGSZCXRWHL-IERDGZPVSA-N 401.463 0.972 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3OCC)C2)C1 1839808927 LEHORIQSFUFMSF-IBGZPJMESA-N 407.854 0.837 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1840157000 AZMVKEVLPAKBFE-QRWLVFNGSA-N 418.519 0.652 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840163930 STZGGMGHLCDHCZ-PBFPGSCMSA-N 404.485 0.323 30 20 HCED COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164468 LAYBKPPEAGDJSF-BEFAXECRSA-N 416.540 0.885 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1840203898 ZAIDFAMQOQOTOV-SUMWQHHRSA-N 421.416 0.334 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1840346321 RAYMSNYDWVGHFP-FQEVSTJZSA-N 403.483 0.650 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CCC3)CCO2)C1 1840812526 VZXAUQYTFXIMFX-HXUWFJFHSA-N 406.483 0.051 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)CCc1ccc(C#N)cc1)C2 1844155834 VILDFDHPSDRUTI-SFHVURJKSA-N 414.462 0.759 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@H]3CNC(=O)C3)C2)c(C(F)(F)F)n1 1845997476 QBPZCMNROAWTGY-LLVKDONJSA-N 421.379 0.925 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)N2CCCC2)cc1 41246222 AFEOXCXFITYJSX-UHFFFAOYSA-N 408.480 0.170 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)CCO1 409597687 SRAOGFBRUQWRAL-HNNXBMFYSA-N 403.464 0.395 30 20 HCED CCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 410146043 SCYZYIPXEQTTMI-LBPRGKRZSA-N 400.482 0.710 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(c4cccnn4)CC3)CC2)c1C#N 429178028 CDWRWSMSRRZTDG-UHFFFAOYSA-N 409.498 0.891 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COCC(F)(F)F)CC2)cc1 431091104 OTNCDWYXBHUACE-CQSZACIVSA-N 407.414 0.804 30 20 HCED COCCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 431922889 BQGYFFYAEDUSNG-OAHLLOKOSA-N 412.487 0.738 30 20 HCED CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCS(=O)(=O)C1 437140790 HJRCPXZUZMYBIY-GFCCVEGCSA-N 419.438 0.857 30 20 HCED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCC(=O)NCCO)cc2F)c1 439252225 XWHNXAPDIPOWTP-UHFFFAOYSA-N 414.393 0.440 30 20 HCED CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 467468442 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HCED C[C@]1(CO)CCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 493702731 AWLRTZQMAAKKEC-AZUAARDMSA-N 420.535 0.532 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)c(F)c1 502241646 JICICWJXDDAFKW-AEFFLSMTSA-N 413.453 0.616 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 507637205 XQHVCLGCLHDJFJ-CVEARBPZSA-N 404.492 0.672 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 511222679 NGUZTICKDJTCEO-CQSZACIVSA-N 401.510 0.305 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 512642662 RKPKDNDOWDPGMA-SFHVURJKSA-N 405.524 0.830 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)n1 513170449 HZXKIHBARMUNEH-FQEVSTJZSA-N 410.409 0.950 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 515325787 FMKGUARYGVTYOR-SQNIBIBYSA-N 414.462 0.086 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C1CCN(C)CC1 516831882 HWERQANZHXUSOU-UHFFFAOYSA-N 400.504 0.797 30 20 HCED 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1831341119 IHAVGIPXCQYGNY-CRAIPNDOSA-N 402.513 0.090 30 20 HCED CN(CC(=O)N1CCC([C@@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)C(=O)C(=O)O 1832788598 XVQIUFURDJYVPI-INIZCTEOSA-N 418.494 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@]3(C)CCCN3)CC2)CC1 1833467476 UPVYSNRDFBBKOL-HTAPYJJXSA-N 404.555 0.738 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833897752 ASWWBQAEGDSQRG-GOSISDBHSA-N 418.542 0.573 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1834421971 OSJKJCRLAMUFKJ-IBGZPJMESA-N 408.524 0.718 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cc(Cl)cn4)C3)C2)CC1 1835342505 SVNWJUGEGYUEKC-SFHVURJKSA-N 407.858 0.297 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5[nH]ncc45)C3)C2)CC1 1835342565 VVATYXKDAGUKRF-NRFANRHFSA-N 409.446 0.937 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3ccn(C)n3)CC2)CC1 1836857686 VQKVZSOWZDAAHJ-KRWDZBQOSA-N 416.522 1.000 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837632308 NEYJOUDQJCUFFV-KKSFZXQISA-N 416.478 0.689 30 20 HCED COC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838551139 ARURPXHTZAHNHY-UHFFFAOYSA-N 417.466 0.855 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838596157 RMSKSCOZKDFKJT-VLIAUNLRSA-N 420.897 0.876 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4CCCOC4)C3)C2)c1 1838742987 VSIWSDSXHXXXJH-UZLBHIALSA-N 402.451 0.383 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838831812 HPCSYZAECFIPOX-QRWLVFNGSA-N 422.482 0.090 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424746 AMQXCLXRFWOSDP-ORAYPTAESA-N 407.854 0.662 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839839851 OKPOMFQOSILVRT-YWZLYKJASA-N 404.467 0.767 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839889365 QXHLLMUBLBUVAO-GOSISDBHSA-N 411.405 0.601 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CSCc3[nH]cnc3C)C2)C1 1840173501 BETYDYIKRBKKCF-LJQANCHMSA-N 408.524 0.984 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)C(=O)c4cccn4C)CCO3)C2)C1 1840480447 NOQRRIFLQFOTSV-OAQYLSRUSA-N 401.463 0.630 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccc3c1NC(=O)C3)C2 1841055545 CUZWBOPGZBDUEV-FPLPWBNLSA-N 408.458 0.857 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1841430004 LBEHCQAFDJGGPG-AWEZNQCLSA-N 406.483 0.769 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847819785 RBBKCUDJBNGQMO-ZUIFVLQTSA-N 415.512 0.398 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2)cc1 56088768 SZKHTFBZLAMNRH-UHFFFAOYSA-N 409.489 0.961 30 20 HCED CN(CCCOc1cccc(S(C)(=O)=O)c1)c1c(C#N)c(=O)n(C)c(=O)n1C 60874868 CBJPKZSJVLCWIG-UHFFFAOYSA-N 406.464 0.264 30 20 HCED CN(CCc1ccccn1)C(=O)C/N=C(/N)N1CCN(C(=O)OC(C)(C)C)CC1 303986762 UVYALMLZVPKCNL-UHFFFAOYSA-N 404.515 0.950 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 435436580 GDRZOBYMWIOKHT-ZDUSSCGKSA-N 407.539 0.681 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 437053202 AYWQYTSKMQWWGX-KDOFPFPSSA-N 403.483 0.978 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(CCC(F)(F)F)C[C@H](O)CO)CC2)o1 438557814 FEBFRUYQWBXXBB-ZDUSSCGKSA-N 419.404 0.111 30 20 HCED COCCn1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 439135303 CDCLHKDAUHLMOX-UHFFFAOYSA-N 403.464 0.548 30 20 HCED CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1F 441977049 MNMVYCBQERIHCP-UHFFFAOYSA-N 404.489 0.806 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1 448241239 QBEKOCZANBBHMQ-UHFFFAOYSA-N 404.430 0.977 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 464204771 GHFFTPTZLMZTFJ-MGBSGCIJSA-N 401.444 0.652 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 465187730 VDTXBFKYBDXVJD-ZFWWWQNUSA-N 409.454 0.107 30 20 HCED C=CCN(C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 475016579 LVPXYVJLWYSONQ-OAHLLOKOSA-N 400.522 0.681 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)c1 476153772 LWQHOGVMQJHROW-UHFFFAOYSA-N 421.429 0.859 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(F)(F)F)CC1 479885229 DVTANUXKSZVIIG-LBPRGKRZSA-N 404.414 0.932 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2sccc2OC)c1=O 480955373 TWGTWWPSXPZZTJ-LBPRGKRZSA-N 419.528 0.798 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C1CC1 480968152 XOSQXSHNCMRGHI-UHFFFAOYSA-N 405.501 0.580 30 20 HCED C[C@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 481282022 XIUMGHQTCSZDCV-ZFWWWQNUSA-N 407.492 0.771 30 20 HCED C=CCOC[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OC 481785401 JKDGORAMBQQJOL-QVKFZJNVSA-N 415.446 0.846 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 482564340 VVIWIDPULCTUTG-GFCCVEGCSA-N 416.528 0.907 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 489012365 LROPZGHNQAKTMA-LBPRGKRZSA-N 422.422 0.519 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)C2)nc1 489446463 NVFJQDAXMJXZQZ-OAHLLOKOSA-N 420.451 0.224 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 508987234 LWAPTPHLJSXZEF-UHFFFAOYSA-N 409.377 0.971 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)CN1C 509481388 SWDMWXZOTKOPJL-DLBZAZTESA-N 419.551 0.416 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3OC[C@H]4COCC[C@@H]43)CC2)cc1 515444505 JDGIXWRALWEQIC-BPQIPLTHSA-N 405.476 0.443 30 20 HCED CC[C@H](C)[C@H](NC(=O)COc1ccccc1C#N)C(=O)NCCN1CCOCC1 521073195 JNZQNLUNUIFHIV-JXFKEZNVSA-N 402.495 0.916 30 20 HCED C[C@H](O)CN1CCC(CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 530644630 WOHVHVYMIWDFNF-INIZCTEOSA-N 422.551 0.730 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)CC1 532108489 ISENHHHIBUQFTE-AWEZNQCLSA-N 420.413 0.843 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC2(C#N)CCSCC2)s1 535201632 PHYCSMLHBGASOE-UHFFFAOYSA-N 416.550 0.568 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(N(C)C(C)=O)CC1 541364946 XWKMMNNFNZABOW-UHFFFAOYSA-N 402.451 0.991 30 20 HCED N#CCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 542360517 DHVPBKJEKOGOTL-ZDUSSCGKSA-N 400.482 0.577 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)n1 542597902 NPNZLAIEROTWFY-UHFFFAOYSA-N 402.842 0.472 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCS(=O)(=O)CC2)n1 543931653 WZGVVKUJEDRHDU-UHFFFAOYSA-N 407.839 0.593 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 547306171 YHGINSNUXXWWCL-UHFFFAOYSA-N 421.417 0.814 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NC[C@H]1CS(=O)(=O)CCO1 553539358 VSKPNRCCZHAAHT-VIFPVBQESA-N 409.283 0.413 30 20 HCED CN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCN(S(C)(=O)=O)C1 556316142 NTFWVADNBFJQLM-LLVKDONJSA-N 416.406 0.590 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)CCC#N)cc2)C[C@@H](C)O1 556995540 FWWSBNGVJUJJHV-ZIAGYGMSSA-N 408.480 0.795 30 20 HCED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 559454261 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0.790 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3C)CCO2)C1 1838355021 BYJOYRPOIUDELG-AVRDEDQJSA-N 415.490 0.807 30 20 HCED CC(=O)O[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)C(C)C 1838357503 BEVWWDXJFKAHOY-HXUWFJFHSA-N 422.478 0.661 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)CC2)CC1 1838416252 WMIZYQVVZGGZKG-HNNXBMFYSA-N 413.478 0.227 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839205971 XEYCLNJWZKMGMY-QGZVFWFLSA-N 411.296 0.784 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839223584 ABUGFAXNZWLNPI-OXQOHEQNSA-N 421.498 0.599 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839224520 LJEZBTAZGQVNKB-OGNFBWPZSA-N 412.531 0.617 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420469 KRMUOEYXBJJYIE-VLIAUNLRSA-N 404.442 0.362 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)CCO2 1839712009 NHQDBOBBYBGDTR-OAQYLSRUSA-N 420.510 0.631 30 20 HCED 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CCOc1ccc(-c2cn(C3CN(S(=O)(=O)N4CCO[C@H](C#N)C4)C3)nn2)cc1 409487428 VVCBLNYLLKHBQN-QGZVFWFLSA-N 418.479 0.670 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)CCO1 409573154 FCVKSAOWKAVECK-TZMCWYRMSA-N 407.414 0.915 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1 409598395 YLDUOCMMFIXPRE-CQSZACIVSA-N 418.541 0.427 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1 410414157 OFHWYYGCUPYIRO-SJORKVTESA-N 409.899 0.991 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 429785033 KFYMWGMXSMGLFX-GOSISDBHSA-N 410.478 1.143 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 434578991 WCFYTBMTGNRSJY-OAHLLOKOSA-N 402.499 0.757 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C#N)o2)c1=O 440378946 BBBUBOZVAFOTTA-UHFFFAOYSA-N 414.487 0.830 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCS(=O)(=O)C1 472159683 RIZQIEOLIBZSEU-HZPDHXFCSA-N 422.555 0.146 30 20 HCED N#C[C@@H]1CN(C(=O)NC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCO1 477509557 KTUSAELHXVKMAE-QAPCUYQASA-N 400.435 0.751 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 480632494 CNIXDAYESYWXMF-MRXNPFEDSA-N 420.516 0.884 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c1 482068602 STKMEFLTRGOFJB-MRXNPFEDSA-N 412.450 0.577 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)cc1 497519878 WPEBGTZWMSIBCN-UHFFFAOYSA-N 422.507 0.242 30 20 HCED COCc1nc([C@H]2COCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)no1 501989700 NUQLEIJTTNKPKB-GFCCVEGCSA-N 409.380 0.758 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 503854445 ALNVZIKCLWAFAW-MRXNPFEDSA-N 417.447 0.402 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)CCO1 507222519 BWUJTVXKIOXNJU-QGZVFWFLSA-N 405.414 0.974 30 20 HCED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 514734253 DYDDUKYSKMAHKV-QWHCGFSZSA-N 410.224 0.784 30 20 HCED Cc1nc(SCC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C 517342222 BHCGQFZOVYFWAQ-CQSZACIVSA-N 424.548 0.780 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 519673357 OQPGSEXXKFUNMV-UHFFFAOYSA-N 414.915 0.693 30 20 HCED N#CC1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCOCC1 520971482 JTDRBCATSVNFDP-UHFFFAOYSA-N 407.492 0.785 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 524575257 KWFYOQQENCHRDW-JKSUJKDBSA-N 405.524 0.954 30 20 HCED N#Cc1cccc(-c2cnc(CNS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)[nH]2)c1 538264918 GLXOGDLSLWVHHI-UHFFFAOYSA-N 422.426 0.957 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 538546969 UECPMTKEDZMLNX-UHFFFAOYSA-N 403.830 0.550 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)ccc1Cl 540935013 YSQVCTWZDABTPS-UHFFFAOYSA-N 418.906 0.385 30 20 HCED COCCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 544097112 QDQYUDCDZASKCZ-UHFFFAOYSA-N 416.415 0.914 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CC2)c1=O 549549432 UOCAFLIGWNMBCE-UHFFFAOYSA-N 415.519 0.505 30 20 HCED COc1ccccc1OCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 549945786 CXIQBEVNXVDJDA-UHFFFAOYSA-N 409.446 0.806 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 556614494 CZONUSFHGKHMHN-ICSRJNTNSA-N 414.506 0.469 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)c2nc(N)nc(N3CCOCC3)n2)CC1 557517747 JDRJEXWVOQYBDX-UHFFFAOYSA-N 412.429 0.264 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCCC2=O)C1=O 559740022 JQYBTCVHRZBEAD-GOSISDBHSA-N 412.490 0.671 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 564126713 WOLSBVICATXZPQ-RTBURBONSA-N 400.479 0.513 30 20 HCED Cn1nc(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc21 578280221 SOLSDEAJEZXVEZ-UHFFFAOYSA-N 417.473 0.847 30 20 HCED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 580665910 PSGUIQVWKOBAJS-UHFFFAOYSA-N 406.443 0.506 30 20 HCED C[C@H](CS(C)(=O)=O)N(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CC1 582331122 AYLYRZZBWIICCR-GFCCVEGCSA-N 416.463 0.502 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)Nc2cnn(CC(=O)NCCO)c2)cc1 588291180 ODVRBOYWZKSWCM-GFCCVEGCSA-N 420.451 0.321 30 20 HCED C=CCNC(=O)CS(=O)(=O)Cc1nnnn1-c1ccccc1Br 590125024 LPUCZJLCVSVBMF-UHFFFAOYSA-N 400.258 0.642 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOC[C@H]3CCOC3)CC2)cc1 609471465 MRDIGIMKTKOAKT-KRWDZBQOSA-N 422.507 0.627 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc(C)n(C)c1C(=O)NCCO 617886609 WJUSQESKYMBFGY-UHFFFAOYSA-N 424.465 0.553 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 619611120 LSXUIKPSHQZBIN-UHFFFAOYSA-N 402.480 0.051 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)NCC(C)C)CC1 728573155 SCAZJGAQHLMWCT-UHFFFAOYSA-N 413.522 0.378 30 20 HCED C#CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 733000365 GCBDPEUXXCJXBP-KRWDZBQOSA-N 406.464 0.525 30 20 HCED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737277891 TTZBSSCADSPLLS-GHTHLWOPSA-N 424.479 0.363 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744033682 VDUXGKFGABAHHA-XABWRGDLSA-N 411.414 0.895 30 20 HCED N#Cc1csc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 752586539 KEDYVFNTVKCKGE-KGLIPLIRSA-N 412.489 0.971 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 757054052 PLQNFADSWYYTGF-HOCLYGCPSA-N 413.521 0.046 30 20 HCED C[C@H](C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cccn1 757585664 AIFUMUDVWFURBN-KFWWJZLASA-N 404.471 0.778 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCc2nc(-c3nc[nH]n3)no2)C1 757587773 LJWKMYKZPAVIHY-MNOVXSKESA-N 402.415 0.663 30 20 HCED N#Cc1cccn(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1=O 758183082 VYMOKABYRROFHG-UHFFFAOYSA-N 416.488 0.689 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758768157 HVBLGDRLQHFQEW-JSGCOSHPSA-N 414.470 0.741 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 761038493 VQPWCVWVLHYHJN-GOSISDBHSA-N 403.504 0.665 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1ccccn1 763460746 NHHNNBNFYYZVHW-UHFFFAOYSA-N 421.526 0.914 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 767630557 NKRDWZWLRSPYFW-MCIONIFRSA-N 409.464 0.404 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NC1CC1 767638176 RFRNNKSBEUYTAB-MNOVXSKESA-N 408.436 0.145 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nccn2c(Br)cnc12 769818318 URYFZBARCZWDSW-SDNWHVSQSA-N 405.212 0.748 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NN2CC(=O)NC2=O)c1 770255896 DJWQCMKTKJUEBR-STZFKDTASA-N 422.467 0.868 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 773094030 KHDZCZSPOJGXIY-CQSZACIVSA-N 417.409 0.881 30 20 HCED C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@@H]1CCCO1 775329662 REPASTQYESACPG-PVAVHDDUSA-N 418.471 0.921 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCOC[C@@H]2OCCOC)ccc1F 777015887 JYJNKJRYROOSES-HOTGVXAUSA-N 416.471 0.840 30 20 HCED N#CCc1ccccc1CC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 777159355 XCILHJPGHMIDEX-SFHVURJKSA-N 419.503 0.170 30 20 HCED C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cn1 788219256 PFEMKSAGAQCZAL-UHFFFAOYSA-N 405.480 0.838 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)oc(=O)n3C)n1 789787427 JCCARKRINSPUEP-UHFFFAOYSA-N 411.418 0.575 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCS(=O)(=O)CCc2ccccc2)n1 800663137 IFCHYXQYLLZVFO-UHFFFAOYSA-N 403.464 0.509 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c(F)c1 802553705 GKQGIMNHEHCIJK-UHFFFAOYSA-N 406.433 0.897 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC#N)c1 807343981 BGOHEXBILNHBQX-CJNGLKHVSA-N 408.480 0.752 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)Nc3n[nH]c(C)c3C#N)n[nH]c2n1 807393984 VNWYFZXFPWXERA-UHFFFAOYSA-N 401.460 0.439 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(C3CCC3)c2=O)cn1 814254971 PYXMFKQOPLOHOY-UHFFFAOYSA-N 413.503 0.588 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 890384975 YYMJRZNNBUHNJN-LBPRGKRZSA-N 411.436 0.111 30 20 HCED Cc1cccn2c(=O)cc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc12 916423630 QXFUIMSHNLWOFW-UHFFFAOYSA-N 412.427 0.896 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 916870068 DZLAZZHFWUMPRN-JZKQVHKSSA-N 406.483 0.985 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 918118811 DVZBAWDMGRXJOQ-UHFFFAOYSA-N 412.471 0.591 30 20 HCED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 918758232 CPWOUOUARUOAAJ-UHFFFAOYSA-N 420.491 0.773 30 20 HCED C=CCn1cnnc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1115815876 XVUKOEBSOKGFCC-ZIAGYGMSSA-N 400.526 0.751 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 1252768945 IVZCHTGTYRUDHY-ZDUSSCGKSA-N 404.514 0.054 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CC1 1301809064 JNYULDBDSMNURA-KSSFIOAISA-N 411.528 0.708 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1303642213 VLHGCEWFAMWNDI-HUUCEWRRSA-N 411.528 0.850 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNc3[nH]c(=O)n(C)c(=O)c3C#N)cc2)C1 1306935830 VBCKHLSDCGNUAU-CYBMUJFWSA-N 417.491 0.978 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)CCOC1 1314143789 WRMBCHQJJDAHMK-APWZRJJASA-N 422.555 0.708 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 1333214004 GASOXNJHMOWMIP-UHFFFAOYSA-N 411.528 0.652 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1359142897 QCXFUOBMQNJUKZ-VXGBXAGGSA-N 404.924 0.698 30 20 HCED N#Cc1cnccc1N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1458086174 QMROGPYXURVTLX-UHFFFAOYSA-N 414.491 0.696 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)C[C@H](C)O1 1466941021 LIOIMMCFECVMSQ-KBPBESRZSA-N 408.484 0.457 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CCO1 1503773015 QFTLIJQGTVBVBI-GOSISDBHSA-N 420.477 0.973 30 20 HCED CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1548319140 KUWCUTXTALDDHX-AWEZNQCLSA-N 415.541 0.355 30 20 HCED COc1ccc2c(c1)C=C(S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O)CC2 1561765207 XZCVKHYWUVUMFA-UHFFFAOYSA-N 402.432 0.736 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1596831851 QJUVQZOUPYZQRP-CVEARBPZSA-N 422.555 0.641 30 20 HCED Cc1nccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1612450933 OVFCNPZQUZYESL-LSDHHAIUSA-N 405.484 0.114 30 20 HCED CN1CCO[C@@H]([C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1632037996 XJZAEYUEXDIGOU-WBVHZDCISA-N 417.853 0.662 30 20 HCED N#Cc1cn(CCNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)c(=O)nc1O 1633550576 SPNCNRPOHSVGPN-UHFFFAOYSA-N 424.461 0.066 30 20 HCED COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1640413426 WIHUXRWYTRMYEP-BFUOFWGJSA-N 405.476 0.917 30 20 HCED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2nccn2C(F)F)CCO1 1698492741 JPXZPUFNKNURHX-GFCCVEGCSA-N 406.397 0.769 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722544366 RTOKFXYRNDGIRN-UHFFFAOYSA-N 411.938 0.815 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N1CCOCC1 1726403212 NARTYIPSIQJHAV-UHFFFAOYSA-N 410.482 0.429 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)C1 1731184077 ZOGCDPAUYABARR-ZWKOTPCHSA-N 420.470 0.863 30 20 HCED CC(C)C(=O)NCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750572747 QSLAKKFMGNGEPF-WBVHZDCISA-N 401.515 0.731 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760933107 BPOKJNJUJXJVFW-RDJZCZTQSA-N 421.571 0.860 30 20 HCED CCCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1765736377 PSDDGVPYYDWZON-HUUCEWRRSA-N 413.548 0.349 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCNC(=O)C2CC2)cc1 1771533497 NKZTXBIPFWWXDD-UHFFFAOYSA-N 414.491 0.578 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1778974513 GRYZXXGMDMHPIE-DYESRHJHSA-N 413.478 0.975 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102492 YZGYWIKPAJSDTL-CNZVFRIRSA-N 405.455 0.393 30 20 HCED 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479666271 ZPNLBUYXVZLYIH-UHFFFAOYSA-N 405.457 0.569 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCCN2C(=O)CNC2=O)CC1 481806464 OBIGAVXAVAWYDH-UHFFFAOYSA-N 412.406 0.787 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)CS(C)(=O)=O 482146788 HLJRJZRUBKLRQW-CHWSQXEVSA-N 401.510 0.507 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCC(N(C)C)CC1 482316237 MCEFOIBZXXLFMB-HNNXBMFYSA-N 407.540 0.367 30 20 HCED N#Cc1c(F)cccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 488682351 FNUKUKBURLLVRA-UHFFFAOYSA-N 406.395 0.536 30 20 HCED C[C@H]1C(=O)N(C)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 494750727 AEBCVTZYJWTZEM-AWEZNQCLSA-N 404.492 0.648 30 20 HCED COCc1csc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 499457554 RPNPQAKJENSWEE-NSHDSACASA-N 401.452 0.627 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(Cl)c1 503452624 DDMXYWFXQOZEHB-UHFFFAOYSA-N 424.866 0.194 30 20 HCED N#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C1CC1 503587568 VUJBCIAKYVKTRV-UHFFFAOYSA-N 407.452 0.416 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(=O)OC)C2)cc1 503624125 ICILYQPVFRGZPJ-QGZVFWFLSA-N 415.446 0.840 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)nn1CCC#N 504990444 DHCJJWWSGIBGKB-CQSZACIVSA-N 408.484 0.070 30 20 HCED CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 506759269 SWNNAFPLGFIUEB-CQSZACIVSA-N 409.512 0.936 30 20 HCED COC(=O)c1ccc(N2CCCC2)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508304254 HUSCBFGVMYCTFZ-UHFFFAOYSA-N 411.422 0.291 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)cc1I 509011768 BVBRBJHBZLTEDJ-UHFFFAOYSA-N 404.139 0.125 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 510148836 RACRZEUVHMFNFM-FUHWJXTLSA-N 405.524 0.888 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 532352990 TURGSYMMRIVTGU-UHFFFAOYSA-N 407.854 0.916 30 20 HCED N#Cc1ccc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Cl 532706793 XHROKMKSCHTQDU-HZPDHXFCSA-N 412.899 0.238 30 20 HCED C=CCN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 533524228 LATTWBJHBIDCAT-AWEZNQCLSA-N 411.509 0.241 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 535285743 BFJQHZRIMMNXTR-UHFFFAOYSA-N 406.464 0.923 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 537009788 NOXJJWKVZFOMEE-LLVKDONJSA-N 414.871 0.575 30 20 HCED N#C[C@@H]1CSCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 539330968 UOXBYNATNIEQPG-CYBMUJFWSA-N 411.505 0.984 30 20 HCED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 540281997 RQWSCOGMBNDSAE-UHFFFAOYSA-N 410.500 0.595 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 543757889 NTMZRUIESVROTK-HXUWFJFHSA-N 424.465 0.692 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 543869331 KDGSHCNKMVSFKV-UHFFFAOYSA-N 420.472 0.483 30 20 HCED CNCCCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)c1C#N 545246998 VMLLISZYHUKUPJ-UHFFFAOYSA-N 406.468 0.642 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)C2 547306710 KUBHIYWSLCYBJV-MRXNPFEDSA-N 416.445 1.158 30 20 HCED CC(=O)N(C)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548369999 XMSYVNFIYQYTPQ-UHFFFAOYSA-N 404.452 0.901 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 557184864 LFODKAIPOGYCCZ-UHFFFAOYSA-N 409.437 0.567 30 20 HCED COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)O1 558740046 SUFAHXQOFYXQHX-JKEDJMADSA-N 406.527 0.862 30 20 HCED C[C@H]1CN(CCN(C)C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)O1 562139192 TURJOZBGBNDWIV-GASCZTMLSA-N 411.466 0.645 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 571034054 KMLOVLNZHVEOMW-YOEHRIQHSA-N 406.508 0.990 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)C[C@H](C)O1 571816266 CDUUFAUYVWCGET-KBPBESRZSA-N 409.468 0.942 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cncc3C2)cc1 572650251 WIYWKVGRPKDNLE-UHFFFAOYSA-N 403.464 0.671 30 20 HCED N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1 584693094 PPUQGRLFQBYUDL-UHFFFAOYSA-N 409.387 0.470 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccc(OC)nc1 609450863 ZCYXCGMPAATQBN-UHFFFAOYSA-N 424.457 0.999 30 20 HCED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 609943377 LKFMUQCRGRTLQQ-LJQANCHMSA-N 422.441 0.983 30 20 HCED Cc1ccc(NC(=O)CN2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 615635762 HUTIGVLTZPPTDZ-GOSISDBHSA-N 410.471 0.892 30 20 HCED CCC(=O)N[C@@H](C)C(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729071290 YUWFKZVLRROZFE-XJKSGUPXSA-N 401.423 0.867 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)CC1 729281597 JGUATERHNWZRTI-UHFFFAOYSA-N 423.517 0.687 30 20 HCED CN(C)S(=O)(=O)CCCOC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 731917756 PILIOHNBLCULGT-UHFFFAOYSA-N 403.482 0.317 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 753753353 PLBYMVMBNWAOLJ-UHFFFAOYSA-N 415.537 0.787 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 756313103 BXPIFFAZSKSGAN-INIZCTEOSA-N 413.478 0.683 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c1 756452797 QFHLPRHJLHNEOI-UHFFFAOYSA-N 411.827 0.405 30 20 HCED C[C@@H](CC(=O)N[C@H](CO)Cc1ccc(O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 757671941 OYKYCWHAHHKIEI-ZFWWWQNUSA-N 417.487 0.929 30 20 HCED C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN1S(C)(=O)=O 758768596 IOAIUHWIAYPKLR-MELADBBJSA-N 415.516 0.421 30 20 HCED C=CCn1c(O)nnc1SCC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 759717554 NIODOCYGOQFYLR-QGZVFWFLSA-N 402.436 0.760 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)c1cnc(O)n(C)c1=O 761805646 JHIMEPRPSQTRTE-HMDXOVGESA-N 412.855 0.900 30 20 HCED CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cn1 766320770 IMDJSSWPFVFIOF-UHFFFAOYSA-N 413.438 0.615 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1 771239655 CESMHAUCDHERPE-OAHLLOKOSA-N 419.445 0.812 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)c1 772550257 ZDVRTOJGXCVXHG-UHFFFAOYSA-N 401.448 0.932 30 20 HCED Cc1c(C#N)c(NC(=O)COC(=O)Cn2ncn(C)c2=O)n(Cc2ccco2)c1C 779129140 UKYBGJHSGZPWRK-UHFFFAOYSA-N 412.406 0.695 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C 782638246 ZPAAEQKCJLRYDS-UHFFFAOYSA-N 424.324 0.362 30 20 HCED COCC(=O)Nc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782905432 NCQMTKPZOAIDLS-UHFFFAOYSA-N 417.466 0.284 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)nc1 785861188 CXEUXRHZIBGFHQ-UHFFFAOYSA-N 409.450 0.029 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@H]1CCCO1 786662536 IUMCFEWFZGLXDF-LSDHHAIUSA-N 413.883 0.032 30 20 HCED CCO[C@@H]1C[C@@](O)(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1(C)C 789881710 GTZHCYNNDCTFDA-DNVCBOLYSA-N 409.508 0.798 30 20 HCED COc1cc(OC)c2c(c1)C(=O)N(CC(=O)N(CCC#N)CCC#N)S2(=O)=O 790033304 WIIZFOWAZVFIPE-UHFFFAOYSA-N 406.420 0.504 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nc1 792392587 BOCKPXXOMFVGCK-YPMHNXCESA-N 424.483 0.870 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)C(C)C 799272140 AGJZLWCINBUUHS-SFHVURJKSA-N 400.479 0.694 30 20 HCED CCn1c(S)nnc1[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 800055563 QJVDPNWCKAYKNA-CYBMUJFWSA-N 402.546 0.873 30 20 HCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)CC1(C#N)CC1 805915700 KLCWSQSMRYVUHW-LLVKDONJSA-N 403.457 0.583 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 807303236 FVWJUOBVLLVBFJ-CYBMUJFWSA-N 421.397 0.576 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 808329959 GYPLUSQLDHLKPM-SJKOYZFVSA-N 409.468 0.693 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 810784119 SDXXVYXIEAKUII-MCIONIFRSA-N 400.522 0.753 30 20 HCED CC(=O)c1ccc(N2CCN(C(=O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)c(F)c1 902775363 VLXVUYCLRXVHSQ-UHFFFAOYSA-N 413.409 0.109 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)Cc2ccccc2)cc1 917119287 XIMQIFUUIGZQBB-UHFFFAOYSA-N 420.512 0.943 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 918968110 TWPQGWDDQQFAFP-ZDUSSCGKSA-N 424.479 0.475 30 20 HCED O=S1(=O)CCCN1[C@H]1CCCN(/C(=N/CCn2cncn2)NC2CCCC2)C1 1120549864 PNXQBHBLTMREIK-KRWDZBQOSA-N 409.560 0.666 30 20 HCED N#Cc1cn(CCC(=O)NCCc2ccc(OCC(F)(F)F)nc2)c(=O)nc1O 1154950038 QFYMDVCGFRLYKT-UHFFFAOYSA-N 411.340 0.906 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)n1CC#N 1319300395 LLOXNQYDWKFRMA-AWEZNQCLSA-N 417.491 0.045 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 1321298295 DLARKIOPOCTTCL-UHFFFAOYSA-N 406.826 0.966 30 20 HCED N#CC1(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOCC1 1324021335 IRTPTGMEZSTOSI-GJZGRUSLSA-N 414.480 0.045 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1477367842 MYLNSXSQPABVNG-UHFFFAOYSA-N 408.480 0.724 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1518169379 YLJUGURGXJBYJY-HNNXBMFYSA-N 406.468 0.232 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)on1 1519165333 OJSLFTKKSGYXIL-CQSZACIVSA-N 408.484 0.891 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCC[C@@H]1C 1611687348 WHTQZWCUTFWRMK-MGBSGCIJSA-N 414.507 0.881 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccn(C)n1 1692539513 NUUXPDMYNAEAJW-KRWDZBQOSA-N 411.514 0.569 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1698061247 NKYJHKDRYVHYRG-MRXNPFEDSA-N 411.528 0.973 30 20 HCED COC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1712155150 CNGYIFANEOQVDP-SJORKVTESA-N 400.487 0.517 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCN4CCOC4=O)C3)C2)cc1 1778159245 VRZQIHCUVIDZHM-NRFANRHFSA-N 412.446 0.844 30 20 HCED C[C@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)N1C[C@H]2C[C@H]2C1 1778857209 HPEHWJCSFZLEEX-QLDGJZPUSA-N 417.554 0.438 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)N3CCN(C)CC3)CCO2)C1 1778980406 UNAXNKAPSIWGTB-KGVIQGDOSA-N 422.570 0.025 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)n1 1779506761 PLEQNEHBXHQHMS-IIBYNOLFSA-N 415.494 0.714 30 20 HCED Cc1c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn2[nH]cnc(=O)c12 1780016585 MAOYPZNEUDXIIW-OAQYLSRUSA-N 409.446 0.188 30 20 HCED CC(C)(C)n1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)nn1 1780195284 VHPGUTWPMAAOPF-FOIQADDNSA-N 417.466 0.249 30 20 HCED CN[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)C(=O)O 1781786079 WZNVNCDDEXHYAC-UTKZUKDTSA-N 414.462 0.259 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCC3)C2 1782010431 OFOZVHWOELMALP-OXQOHEQNSA-N 400.435 0.045 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncc(F)cc1F)C2 1782010802 FOVJHAWEKBWXCI-AUUYWEPGSA-N 407.373 0.575 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ncccn5)CCO4)C3)c2c1 1782194832 NXHMBKBOKLNOSK-NRFANRHFSA-N 417.429 0.982 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1cccc(Br)c1)CCO2 1783053374 ZPSBXZCHSSRSCU-SJLPKXTDSA-N 407.264 0.946 30 20 HCED Cc1cn(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](C)S)C3)c(=O)nc1O 1783118724 NBOWDZMDZPTESU-PJIJBLCYSA-N 424.523 0.090 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2)C(F)(F)F 1783206098 BWVRKYBEVLRLDU-INIZCTEOSA-N 402.373 0.991 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)cn3)C[C@@H]21 1783530386 WNJZDAGZOQKWPE-CRQUZRIGSA-N 416.453 0.672 30 20 HCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1783681630 CQTVLQCNUGFYDP-QMVSFRDZSA-N 421.523 0.318 30 20 HCED COCCOCCOCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783897318 JYCMDMHADJYWRR-QAPCUYQASA-N 404.529 0.204 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784339316 FEOLORJHLMFIJR-OAQYLSRUSA-N 415.494 0.197 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)n3cc(C)cn3)C2)C1 1784441871 KFUHDOLMNZKODQ-LRJKKDHCSA-N 415.494 0.441 30 20 HCED C=CC[C@@H](CC(=O)N1CC[C@@]2(CN(C(=O)CN)CCO2)C1)NC(=O)OC(C)(C)C 1785303622 AWDDIFOQVGANOJ-YWZLYKJASA-N 410.515 0.635 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785686707 GPEYFNWWSNLZRJ-JKQORVJESA-N 420.441 0.414 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)CN)[C@H]3C2)c(C#N)c1 1786784907 CIUJPDHRKAFVOA-QHERXFFYSA-N 414.506 0.684 30 20 HCED N=C(N)SCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788678169 OMPFLBZVIFFBMF-WRCSIGPASA-N 407.496 0.305 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1cccnn1 1788854057 ZYFFVJPPWDAYOE-RIUAQFLGSA-N 417.466 0.599 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Oc3cccnc3)[C@H]2C1 1791650575 WWGPQKYXRHWZAE-TXTPUJOMSA-N 415.490 0.867 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1CC1)C2 1793004766 DZACJCHEWDARIN-YYIAUSFCSA-N 405.495 0.924 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 1793342893 YCYFZHUVSDNADK-ZXFNITATSA-N 400.479 0.530 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(N(C)C)cn1)C2 1793354619 FNCDMVIXFILKNG-GGXPGOJBSA-N 402.495 0.942 30 20 HCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)n(C)n1 1794343877 HJFRRUADRXIGNY-CLTKJPJQSA-N 415.450 0.344 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1sc(N)nc1C 1795667214 QVIVVPKGZARZLK-XJFOESAGSA-N 408.524 0.810 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3c(n2)NC(=O)CC3)CCC1 1796107046 DLPVTBXVBDITDI-JLVBRIDZSA-N 423.473 0.863 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1ON=C(c2ccccc2)O1 1797643800 VVJNKXHWVPHYFZ-UIHGTFFFSA-N 405.476 0.629 30 20 HCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)nn1C 1797838245 OENUHJYKZVBAGU-CLTKJPJQSA-N 415.450 0.344 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](COC)NC(C)=O 1797967447 BELUFICFUKYRKG-RHQZKXFESA-N 407.511 0.496 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C 1802251025 JFRZNNABBKELDQ-UJHHCITNSA-N 405.495 0.855 30 20 HCED CN[C@H](CC(=O)N1CCCC2(CCN(C(=O)c3cc(C#N)c[nH]3)CC2)C1)C(=O)O 1809833537 LCBLGTNJYIGZHR-MRXNPFEDSA-N 401.467 0.794 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C\C(=O)NC2CC2)[C@@H]1c1cccnc1 1810125507 UYPSCLKXGUATBR-JDTNKDIWSA-N 424.501 0.961 30 20 HCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810217355 SLBOSAIQIGOMFE-OXJNMPFZSA-N 413.478 0.946 30 20 HCED CCc1cc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1C 1812879533 AHUTWLQDCNRDRP-MGPUTAFESA-N 409.446 0.785 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@@H]1c1cccnc1 1813326950 LQNILIBRFKNJBG-NVAPDCRFSA-N 421.457 0.704 30 20 HCED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)CC2)CCC1 1824976013 PFORBKDPFLZPCD-INIZCTEOSA-N 415.494 0.852 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)c2nc[nH]n2)CC1 1827344041 IQZURTWKMHABSN-MWWKQMNYSA-N 400.483 0.896 30 20 HCED Cc1ccc(F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830079071 KZMGUGIHLSQXDX-HXUWFJFHSA-N 404.394 0.292 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)s3)C2)C1 1831391421 AXNRLTSIPUUJRH-AUUYWEPGSA-N 407.492 0.560 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831488018 VAKHFZNXVHVSKY-ICSRJNTNSA-N 423.535 0.259 30 20 HCED Cc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831493354 RDMOEMMFLKGAAY-VQIMIIECSA-N 408.524 0.809 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1831740396 CEGLXBPEZFXMJF-FQEVSTJZSA-N 402.451 0.446 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1832462609 PYQYSHROPLRUND-FXAWDEMLSA-N 422.551 0.895 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833400580 BCHYQACUGDPRFQ-YJBOKZPZSA-N 412.512 0.150 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3C)CCO2)C1 1834062898 QPSJXQNYNOQALC-OXJNMPFZSA-N 407.467 0.953 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(CC)n1)CCO2 1834403097 YKBFQCFWYQRBSL-NRFANRHFSA-N 420.510 0.956 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)c3ccccn3)CC2)CC1 1834726825 XEBOCSAPFNJNSY-RDTXWAMCSA-N 405.568 0.971 30 20 HCED COC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834857525 OQSFQJKWWMJYHR-KXBFYZLASA-N 413.471 0.197 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n(C(F)F)n1 1835358719 IYYZDBBOTZCWAE-GOSISDBHSA-N 411.409 0.960 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)OC(C)C)C2)C1 1837399448 UDKQJYLHRMELHY-XGHQBKJUSA-N 412.527 0.829 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837524533 CHWCZNUYZIFGGP-DRRDTLGUSA-N 419.478 0.385 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1837532800 HCBUQFDPOIDJOR-GMIMXIHISA-N 421.494 0.772 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]c4c3CS(=O)(=O)C4)CC2)CC1 1837990111 HLTZBTRQXKZCMZ-UHFFFAOYSA-N 420.491 0.084 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(O)nc4)CCO3)C2)CCC1 1838652971 AKULYOSHJSUAOA-FQEVSTJZSA-N 400.435 0.551 30 20 HCED COc1cccc(OC)c1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1838881352 ABOBQUSMTZKNEZ-FQEVSTJZSA-N 403.435 0.687 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)cc1 1838952138 DGCRNOYJBGUSGJ-QFIPXVFZSA-N 413.474 0.933 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212611 HNUHHWSXLRPVRI-LAUBAEHRSA-N 423.510 0.046 30 20 HCED CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420198 UVDWRHHMADHKPD-HXUWFJFHSA-N 405.426 0.804 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnc1C)CCO2 1839712007 NHQDBOBBYBGDTR-NRFANRHFSA-N 420.510 0.631 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1839840928 OEZCJJDYMMJRSX-CDXJDZJCSA-N 402.495 0.750 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1)C(F)(F)F 1839894769 QUAUGRYMZBDOIB-CJNGLKHVSA-N 417.388 0.414 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1C(F)F 1840162106 MJJGOPBJUMANFU-SJKOYZFVSA-N 418.466 0.975 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1C1CC1)CCO2 1840658248 UFGWPEDHJLLBLD-JOCHJYFZSA-N 412.442 0.722 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)C3(C#N)CC3)C2)C1 1842808757 WKLHIKSGVLGTHI-CABCVRRESA-N 418.494 0.721 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1842920995 AJDSTCKSUVPPDU-UHFFFAOYSA-N 424.549 0.869 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCO3)C1 1844072789 INAMGMSMIVUMNN-UHFFFAOYSA-N 402.451 0.992 30 20 HCED Cn1cccc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c1ccc(CC#N)cc1 1847786307 XNJLTSILUBMCJH-JLSDUUJJSA-N 418.519 0.896 30 20 HCED COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 14868913 HLOQBMIOFGJJGE-UHFFFAOYSA-N 409.445 0.810 30 20 HCED Cc1nc(C)c(C#N)c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 29674585 CWCHTFKERBCKGF-CQSZACIVSA-N 409.537 0.389 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1Cl 141111229 FADGWCZTRBWJRU-UHFFFAOYSA-N 417.857 0.906 30 20 HCED CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](O)CN1CCOCC1 435000885 QAMCWVQRLVACJS-GOSISDBHSA-N 413.440 0.798 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 438757335 WXNJCXPDXNEWOQ-UHFFFAOYSA-N 413.478 0.968 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)C1=O 440245298 UNIOLOZYEWGCHA-CQSZACIVSA-N 424.479 0.251 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)n2)c(Cl)c1 440958046 WHDSSYNWEOSUJF-GXTWGEPZSA-N 414.853 1.496 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC2(CCOCC2)C1 460735503 MDAQIQXILOIMKA-UHFFFAOYSA-N 410.434 0.794 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465415531 INLYLGJMJJQZSN-CQSZACIVSA-N 421.461 0.774 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1=O 469853068 NPRBJNHSDMBIPD-INIZCTEOSA-N 416.503 0.697 30 20 HCED Cc1ccc(C(=O)NCC2(O)CCN(C(C)C)CC2)cc1S(=O)(=O)NCC#N 472427271 BSIUQJHUCXAKSQ-UHFFFAOYSA-N 408.524 0.762 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1c1ncc[nH]1 473099567 QCSHXKGKSVDASX-INIZCTEOSA-N 419.449 0.706 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC#Cc3ccccc3)cn2)C[C@@H](C)O1 475713796 KSKMHPHLAOSUGB-CALCHBBNSA-N 423.473 0.625 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 476588610 OLFUHIMVPULRPI-UHFFFAOYSA-N 408.480 0.396 30 20 HCED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1 477636006 LIOQKSHLXMIFOL-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H](CO)c2cnn(C)c2)c(C#N)cn1CCOC 481347343 NZVKYOVZBIIVIO-CQSZACIVSA-N 404.427 0.771 30 20 HCED C=CCOC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OC 481792154 VOTITKWMXMCFFM-INIZCTEOSA-N 411.480 0.343 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1 484785482 FBLWOLRHWSANGJ-UHFFFAOYSA-N 401.452 0.610 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 484847163 RVUBTCKYTUYNKS-UHFFFAOYSA-N 410.434 0.509 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 487417442 SWQLQPWEGFGAMZ-KRWDZBQOSA-N 401.492 0.992 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(F)(F)F)cnc2O)CC1 491049879 LHENAFMSOLCFDC-UHFFFAOYSA-N 415.372 0.191 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)CC1 491080312 SJKCRHDTALIJGY-UHFFFAOYSA-N 413.478 0.420 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(Cl)c2N(C)C)CC1 491222647 IUYQQVAJINEARL-UHFFFAOYSA-N 407.902 0.791 30 20 HCED C[C@@H]1CN(C2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 497382121 DGGZRTTURFTDLY-MRXNPFEDSA-N 420.535 0.890 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)n(C)c1=O 502048409 XWHYXVPJHFRQMM-UHFFFAOYSA-N 423.454 0.093 30 20 HCED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 506455052 XTMAICUDDADANZ-ZDUSSCGKSA-N 421.866 0.981 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 507024585 RNPJHSBQLFOINU-GFCCVEGCSA-N 406.386 0.744 30 20 HCED C[C@H](C#N)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 521142876 RPTDQVDNPMCOCD-RISCZKNCSA-N 421.928 0.697 30 20 HCED COc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1[C@]1(C)NC(=O)NC1=O 522744398 TUAYJIIMFGQYDA-KRWDZBQOSA-N 418.435 0.661 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(F)c2)c1=O 523078791 RNMDNDIKYRSGHO-UHFFFAOYSA-N 405.451 0.343 30 20 HCED CC1(C)[C@@H]2CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)C[C@H]21 525121842 GWWNJRBOKVPXTP-IAGOWNOFSA-N 402.520 0.979 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 544872893 GTUFLZJZMMIXKR-DOMZBBRYSA-N 405.480 0.288 30 20 HCED CCCc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)c1 548150968 VXUNAMKNWVGRCX-UHFFFAOYSA-N 412.515 0.375 30 20 HCED CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 555083520 DETDUXLOTDGMJM-CYBMUJFWSA-N 404.500 0.501 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 557488902 BUBHTOTWKWMXQP-KRWDZBQOSA-N 422.507 0.275 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 560990964 SJKMUXFCOXVRJN-INIZCTEOSA-N 407.473 0.809 30 20 HCED CCOC(=O)CC[C@@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 561688255 GINNPPZSOCSUQQ-QGZVFWFLSA-N 408.436 0.381 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3cccnc3)C2=O)cc1 573769212 IKRRQLPBIRGZLI-KRWDZBQOSA-N 413.459 0.149 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)nn1CCC#N 575789147 VBMJZYHBUHWZDA-UHFFFAOYSA-N 415.542 0.920 30 20 HCED Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3Cl)n1)C2 580973004 MMCNPLMPFVGJTI-UHFFFAOYSA-N 410.825 1.278 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CC1 590997077 TXAISGNJLWKOCE-ZDUSSCGKSA-N 413.499 0.907 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)c1 608911850 SQFKCYMZQSLJRF-UHFFFAOYSA-N 418.478 0.845 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CCO1 609282712 ICZITNSPYXMHOJ-QAPCUYQASA-N 412.446 0.544 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 610596885 SUACZLSPCDGEJG-MGPUTAFESA-N 411.466 0.505 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 610808252 BVAANKKNMPIDOM-FUHWJXTLSA-N 419.551 0.463 30 20 HCED CCOc1ccc(NC(=O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732456699 RWQSZRHLHMGGFG-ISLYRVAYSA-N 401.423 0.849 30 20 HCED N#C[C@H](C(=O)CCCNC(=O)OCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 732910578 RUBOWZGQVVEGGQ-MRXNPFEDSA-N 421.475 0.659 30 20 HCED COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(C#N)cc1 740235901 FIFLOVLDBDUYJO-KRWDZBQOSA-N 420.447 0.726 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)CC1 746503384 MTLRKDUNKUTOFV-UHFFFAOYSA-N 424.592 0.449 30 20 HCED CC[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749740263 AGLGETJHZTWTMJ-QIAIEURZSA-N 410.496 0.715 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 750670803 YAHOAJUTFXILKB-UHFFFAOYSA-N 417.491 0.475 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(=O)N(C)C 752139325 WVJFDZAIWICVRU-DMJQWXIHSA-N 423.495 0.031 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(F)c2)c1=O 758060470 CGXYKDPSMSNNHU-UHFFFAOYSA-N 424.501 0.349 30 20 HCED NC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 768546002 FNSMXEYKDRSPTB-MRXNPFEDSA-N 404.423 0.597 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccc(C(=O)N(C)C)cc1)c1cc[nH]n1 770820584 CVKMNQITVXWZJA-UHFFFAOYSA-N 401.423 0.712 30 20 HCED N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 776118404 LOOXRFFPTDFQBP-MRXNPFEDSA-N 413.521 0.978 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)CCC#N)cc1C 778214418 JFPJZYOGPDVVBN-UHFFFAOYSA-N 406.464 0.781 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 780758086 KNAPJKMWPFKBPP-UHFFFAOYSA-N 413.521 0.087 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cc1ccn(C)n1 782589828 DFTCFIOEKCXOMX-UHFFFAOYSA-N 409.402 0.886 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 783016794 YVYGDJOLGGVLLE-UHFFFAOYSA-N 411.399 0.836 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783480495 KAOUPVNKICQCKX-INIZCTEOSA-N 420.487 0.725 30 20 HCED Cc1nc(Cn2nnc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2C)no1 786398822 TXYQMZKLIODNOK-UHFFFAOYSA-N 421.826 0.970 30 20 HCED CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)cc2S1(=O)=O 787654740 BHUHMSDMTIOHIT-LLVKDONJSA-N 405.432 0.959 30 20 HCED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC2(CCOCC2)O1 791058956 IQNGYXJUDHWDRZ-CQSZACIVSA-N 407.492 0.912 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 795385749 KRVOVEJTMMVQBJ-CYBMUJFWSA-N 409.464 0.719 30 20 HCED CCOC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)NC(=O)N[C@H]1C 796493893 ZDMSHHDNCQIEBC-QWHCGFSZSA-N 407.471 0.950 30 20 HCED COc1cc2c(cc1S(=O)(=O)NCCNc1ccc(C#N)cn1)OCC(=O)N2 797442225 SSIHCODINXUXAR-UHFFFAOYSA-N 403.420 0.683 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 800076370 SUSZAWRLARKNLO-OAHLLOKOSA-N 419.548 0.234 30 20 HCED CC(=O)c1ccc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c(F)c1 805061740 UJZJQHOZGNZMCQ-UHFFFAOYSA-N 415.469 0.781 30 20 HCED Cc1cc(Cl)nc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 807559885 WYVIGPYKRYZWLX-UHFFFAOYSA-N 415.885 0.922 30 20 HCED CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 815807592 PUHSGIZLVOGOEV-MRXNPFEDSA-N 407.398 0.882 30 20 HCED CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)cc1 816127938 OHRKJLLQJWDFJQ-UHFFFAOYSA-N 409.401 0.989 30 20 HCED CN(Cc1cnn(C)c1)C(=O)COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 918987091 WXNXSIVKGBIZLR-UHFFFAOYSA-N 419.463 0.427 30 20 HCED COc1ccc(CC(=O)[C@@H](C#N)c2ccncn2)cc1S(=O)(=O)N1CCOCC1 1122641093 WKDUZZGSPAKLEM-HNNXBMFYSA-N 416.459 0.925 30 20 HCED CCOC(=O)C1=C(Cn2cnc(C#N)cc2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 1189601491 OORFUMDNBRIFHW-SFHVURJKSA-N 409.402 0.995 30 20 HCED COc1cc(NC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)c(F)cc1C#N 1219582187 WBQGQQLEVFBZNR-UHFFFAOYSA-N 404.445 0.981 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)NCc3nnc4c(=O)[nH]ccn34)CC2)c1 1312947494 SOQJYFYILLQANZ-UHFFFAOYSA-N 406.450 0.753 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 1319383682 OYBPPFKUDRJXGP-ZFWWWQNUSA-N 402.480 0.354 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1321234601 YRSTWYNHDMQIDB-HNNXBMFYSA-N 413.521 0.918 30 20 HCED N#C[C@@H](C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc(F)n1 1344597533 WNXWHPQZOIZCBM-CQSZACIVSA-N 402.407 0.831 30 20 HCED C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1nnnn1C 1346274813 RJBUIJFRLDYBKV-OHARDZCESA-N 406.472 0.906 30 20 HCED Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCn1cc(C#N)c(O)nc1=O 1453830334 PJWBIAMTPCEUAG-UHFFFAOYSA-N 409.450 0.777 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN[C@@]1(C(N)=O)CCOC1)CCCC2 1460312339 XXARNWOZCXNBRU-QKKBWIMNSA-N 415.494 0.590 30 20 HCED CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1515315363 XQYNTTUDRILHIK-ZDUSSCGKSA-N 417.495 0.477 30 20 HCED C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1541832554 NXRSHYRXNFSBLI-MRXNPFEDSA-N 401.515 0.975 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1 1618846043 YBCHFAUIROMMJH-SFHVURJKSA-N 403.512 0.943 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1622672099 ZPSPWJJMMJMTIV-AWEZNQCLSA-N 401.533 0.560 30 20 HCED CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1708531843 HBFJTEJOEAXNDW-RDJZCZTQSA-N 401.515 0.827 30 20 HCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1729312891 ZUXGYRKEMXZHTB-UHFFFAOYSA-N 418.479 0.052 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740743536 YSDRNQOQKZYQTJ-QWRGUYRKSA-N 418.317 0.761 30 20 HCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1748344371 FBNYWPVAHDEQSC-HXUWFJFHSA-N 412.450 0.857 30 20 HCED Cn1ncc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)n1 1767529658 LJNPCPFKLGULSE-GOSISDBHSA-N 401.450 0.604 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778785786 OCIOQMOJROQHOR-FOIQADDNSA-N 411.499 0.873 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778825521 AEUMFVJAEMLSAW-GIWCCYDRSA-N 405.495 0.634 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3nc[nH]c3c2)C1 1779012174 JTROXBZVPJSGSM-DYESRHJHSA-N 410.430 0.778 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1779017809 WBRXWIKJSGZMPH-LASGFXPTSA-N 416.425 0.398 30 20 HCED Cc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)[nH]1 1779060405 BJNQLFKCQJQAJN-OAQYLSRUSA-N 400.479 0.860 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099596 ISVIQPNEUNUWCW-XLKFECATSA-N 419.482 0.701 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1ccnn1)C2 1779337143 IYCJUYHUHKEBJA-CSODHUTKSA-N 419.526 0.755 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1781271487 BYBQGNDQRGBVRQ-UTKZUKDTSA-N 418.494 0.859 30 20 HCED C[C@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299116 CXEPGFJUHPKQOQ-XOBRGWDASA-N 402.426 0.204 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781852591 DQGDLMQAHJTTDN-BFUOFWGJSA-N 410.471 0.209 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5ccnnc5)CCO4)C3)c2c1 1782194266 GAZHQCCTRHKCLF-OAQYLSRUSA-N 417.429 0.982 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C)C3)C[C@@H]21 1783531434 PUWLYFAYVXDXID-KPAKZDMISA-N 418.538 0.166 30 20 HCED COc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1783564879 NZXOPJHDJFVURL-OAQYLSRUSA-N 418.421 0.685 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1OC(F)F)CCO2 1783568352 VJJOKFHZMBXJOC-LJQANCHMSA-N 408.357 0.820 30 20 HCED CSCC[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1783970767 NOPDWNJMBWNCGF-BEFAXECRSA-N 412.556 0.212 30 20 HCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)NCc3ccccc3)[C@H]2C1 1784054919 PNOAERVIKHATSF-PMEOWRCESA-N 410.474 0.752 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC(C)=O)OC(C)=O)CCO2 1784198253 COCAMJJMRZISQS-RXVVDRJESA-N 422.478 0.505 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784342949 QJRBRCLVDFTWPC-LJQANCHMSA-N 405.455 0.008 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CN)c3ccccc3)C[C@@H]21 1784480187 RATRUYWTESOEMF-MQBSTWLZSA-N 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C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 440377578 DHGKPIAPARCBHQ-CQSZACIVSA-N 409.468 0.212 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCn3c(O)nnc3C2)n1 440756063 MFSXIZQJDLWJRE-UHFFFAOYSA-N 412.797 0.675 30 20 HCED CN1CCN(CCOc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 441846116 FBAMPZOIMFSXNZ-SFHVURJKSA-N 401.467 0.002 30 20 HCED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443305598 LSRGEGCKUGFWKL-UHFFFAOYSA-N 422.385 0.841 30 20 HCED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443350042 HXEJGNRSMJEMNF-AAEUAGOBSA-N 415.324 0.920 30 20 HCED CSCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccn2)c1=O 443553174 XPZPJHCSYXRIPE-UHFFFAOYSA-N 402.545 0.943 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CCSC 443562655 GBZDYOBJIZYVOB-UHFFFAOYSA-N 423.585 0.908 30 20 HCED CCOc1c(OC)cc(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1OC 444510102 GNNSKGJRZNBNIO-UHFFFAOYSA-N 401.423 1.468 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(Cc2ccccc2)c1 446525866 CCQDQOXBMBBKHF-UHFFFAOYSA-N 410.478 0.944 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 460394918 QCMOENLDHFADHN-AWEZNQCLSA-N 408.532 0.973 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC[C@@H]1COc2ccccc2O1 464856054 ICFSMOXUZCBUSU-JKSUJKDBSA-N 408.462 0.815 30 20 HCED CN(C[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCO1)c1nccn(C)c1=O 466819595 PGRPNOVQQQSOOT-SFHVURJKSA-N 410.478 0.741 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 472441850 DCSNZZJUURJGMI-RXYZOABWSA-N 406.442 0.780 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)c1 474425482 JWEGKXWFVWKZGV-UHFFFAOYSA-N 423.476 0.287 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCC(=O)NC2CCCCC2)CC1 476512718 LSMRRAMSKUUTDA-UHFFFAOYSA-N 412.494 0.557 30 20 HCED CCCN1CCC(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 477626637 LXUBCHOCQASWFT-UHFFFAOYSA-N 415.542 0.487 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(I)ccc1C 477677064 CZVDJWAKVXMFQX-UHFFFAOYSA-N 401.204 0.957 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 478575381 UHBQWWHUDJIIOU-HSALFYBXSA-N 412.490 0.802 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1 483481095 XAHLQQPTSCQHTP-UHFFFAOYSA-N 413.413 0.817 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(Cc3ccon3)c2=O)o1 488987998 UUDPCSBXMZZSOI-CYBMUJFWSA-N 411.439 0.956 30 20 HCED COC1CCC(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 499267288 JMIHTUFYQCZFTM-UHFFFAOYSA-N 402.499 0.570 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 503632896 ZUFXEKDMNQTIRT-UHFFFAOYSA-N 413.478 0.662 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505662882 PWTTYUUKKAHRPM-CYBMUJFWSA-N 418.544 0.423 30 20 HCED Cc1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 505800022 ZCOAGAJNSYCLBG-OAHLLOKOSA-N 415.475 0.476 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508917824 LBSDDTVAZXRXQM-INIZCTEOSA-N 423.543 0.741 30 20 HCED C=CCN(C(=O)NC[C@@H]1CS(=O)(=O)CCO1)[C@H](C)c1cccc(-n2cnnn2)c1 509105646 ALLSNANGAPOUDG-RHSMWYFYSA-N 420.495 0.735 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccn2)c1=O 514913382 FTBBBDOWHJERSU-UHFFFAOYSA-N 400.529 0.840 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(OCCC(N)=O)cc2)cc1 517060640 MPCLSJHAFAJRGX-UHFFFAOYSA-N 402.432 0.729 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F 518151958 WHYHSUFKKIJXSK-HNNXBMFYSA-N 418.516 0.778 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 518388945 YHXQFOMWKFSLJU-NSHDSACASA-N 408.448 0.445 30 20 HCED C[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 523394974 YZAHKUCPKYFFAQ-MAUKXSAKSA-N 413.478 0.848 30 20 HCED CC(C)N(CCC#N)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 527353633 ACVPNVHFBHSYFS-GOSISDBHSA-N 414.462 0.790 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 531963756 SSSUEKZBUGHPKW-GOEBONIOSA-N 404.492 0.838 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 537038658 YHIFBESZHOPMRZ-OTWHNJEPSA-N 407.559 0.542 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(OC)c2OC)C1=O 550985302 SWLJXIXJDBLENV-CQSZACIVSA-N 405.451 0.574 30 20 HCED COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 551315596 CQTDYYFXKBKXEK-WBVHZDCISA-N 417.466 0.860 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1 556186854 NMCQIXFVULUFHB-UHFFFAOYSA-N 409.512 0.995 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 564609861 DJTYEOVOHMFPMR-UHFFFAOYSA-N 422.467 0.529 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 572085556 RDDZNHZLKIBPNA-FQEVSTJZSA-N 414.506 0.714 30 20 HCED CC(C)(C#N)CCS(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 581064760 RPMPESJNBQINTG-UHFFFAOYSA-N 420.479 0.707 30 20 HCED C=CCn1c(SCC(=O)NC(C(N)=O)C(N)=O)nnc1-c1ccc(Cl)cc1 599986572 QEHRGRAQHXLELS-UHFFFAOYSA-N 408.871 0.332 30 20 HCED N#Cc1ccc(OC[C@H](O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 603661978 YDUXIDZBZNONHY-GOSISDBHSA-N 416.503 0.768 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCC2(N3CCOCC3)CCCCC2)c1=O 603724113 HJRRTJPUDDHQOQ-UHFFFAOYSA-N 403.483 0.053 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O 606793619 ASDKGRXGAHFTOK-ZDUSSCGKSA-N 404.810 0.538 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1S(=O)(=O)NCC#N 608868527 BJOUDDXXTSYSAI-MRXNPFEDSA-N 420.491 0.260 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610384540 IXQDUGQHOZHIEY-WBMJQRKESA-N 410.434 0.939 30 20 HCED CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cn1 615632157 QKTQKPKQBHAONN-KRWDZBQOSA-N 405.411 0.678 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1 728533033 SHKYVLIZNKQSAP-UHFFFAOYSA-N 410.522 0.720 30 20 HCED Cc1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1S(N)(=O)=O 737180837 GJLRRWIQINNXPK-UHFFFAOYSA-N 402.432 0.800 30 20 HCED COC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 740508322 UQSFBEYJOJJBIH-GICLCMKGSA-N 422.507 0.933 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(C)C 743728956 TUCWYITZERPJNX-UHFFFAOYSA-N 417.535 0.438 30 20 HCED N#CCN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 744557968 GHDHZBOWRQBNCB-UHFFFAOYSA-N 403.508 0.953 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1cccc(C#N)c1 745352885 CCUVRILTVLDUFF-LBPRGKRZSA-N 419.463 0.757 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1sccc1C#N)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440755 LCUHKZMOWPTWQF-DXDYRAJHSA-N 403.416 0.652 30 20 HCED CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 751929628 QRZXUWSKINXVPJ-MFKMUULPSA-N 405.480 0.825 30 20 HCED C#CCN1CCN(C(=O)CC[C@H](CC(C)C)C(=O)N2CCN(CC#C)CC2)CC1 759218812 QWFRPYYHSSAYBA-OAQYLSRUSA-N 400.567 0.984 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc(S)n1C1CC1 765425438 OWIBIIRUCLQMLD-SNVBAGLBSA-N 406.493 0.757 30 20 HCED COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 765708925 PJICTUTZQPOQSA-HNNXBMFYSA-N 419.434 0.937 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 766278377 REXCRRILGOUAPA-HNNXBMFYSA-N 413.521 0.731 30 20 HCED N#Cc1c2c(cn(CN3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)c1=O)CCC2 766612111 LQZGJQQCYYKCKK-UHFFFAOYSA-N 413.503 0.636 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767679458 HYQHXXJEAUDCGG-NWDGAFQWSA-N 408.436 0.169 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(F)(F)CO)c1 768333235 KAYFXLRGEKWZRO-BKUYFWCQSA-N 418.422 0.182 30 20 HCED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1 771076920 INZPKNTVBFXCNR-UHFFFAOYSA-N 415.512 0.464 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 773423095 SUWNLIDHMGLMKN-UHFFFAOYSA-N 411.418 0.331 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)C1=O 777827570 CNHHUWOVKWKBHV-UHFFFAOYSA-N 423.809 0.524 30 20 HCED Cc1cc(C(=O)NS(=O)(=O)c2cc(C(N)=O)n(C)c2)nn1-c1cccc(C#N)c1 780299284 ZDZQJQIWUPHWHN-UHFFFAOYSA-N 412.431 0.609 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 782988107 VJGHZCHTLOUODX-UHFFFAOYSA-N 408.523 0.006 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 783544842 FSXVKSHRXAMYPQ-LLVKDONJSA-N 401.466 0.978 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)CC1 789928812 RZGOATSDYHCBED-GOSISDBHSA-N 405.520 0.099 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800010179 GMLLZPKIIHROHJ-CYBMUJFWSA-N 411.509 0.089 30 20 HCED CN(C(=O)c1ccncc1)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 800054757 ARJDQCGSEKBWBW-GOSISDBHSA-N 415.475 0.917 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cc(F)ccc1N1CCC(O)CC1 800058781 ZRNUJCYSMRQQKJ-CJNGLKHVSA-N 412.487 0.907 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800907456 JOMIPJMBKQIGSL-AWEZNQCLSA-N 400.526 0.490 30 20 HCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 802475122 AGTSBJOPXRLAQE-SFHVURJKSA-N 414.466 0.716 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)nc1 806088098 MFWBOBCMZISYHK-SJORKVTESA-N 400.483 0.241 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)cc1 808084205 LDBBYGVMFKMWQM-OAHLLOKOSA-N 417.491 0.623 30 20 HCED CCOC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 808142779 BJJHAKAYJDCZDT-HXUWFJFHSA-N 414.466 0.687 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1)[C@H]1CCCO1 809313012 RBRFFGBPLSTPHF-RBUKOAKNSA-N 420.554 0.370 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 815882975 RPPZDRIGUHAZRY-UHFFFAOYSA-N 416.482 0.954 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(O)C1=O 816759602 QFHOETADNSEUDX-AWEZNQCLSA-N 408.480 0.782 30 20 HCED CCCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916878237 RJQUBSKLEMGANZ-INIZCTEOSA-N 420.491 0.436 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 926014352 AYJYRGVHYQIYIA-UONOGXRCSA-N 402.451 0.864 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ccc(O)nc1=O 998016547 RLNNNXJWKWMHQA-OWYFMNJBSA-N 402.451 0.178 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074653956 ABSITZHWMKLEHS-DWQYQCALSA-N 404.507 0.861 30 20 HCED COCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1116392623 HROMEZNJYRHSPU-UHFFFAOYSA-N 421.519 0.959 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1 1128861579 PCHIYGRDUHUXGY-HNNXBMFYSA-N 401.398 0.551 30 20 HCED COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1195809173 JAFYMOWBSYHALY-PMPSAXMXSA-N 406.508 0.313 30 20 HCED C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CN(C)CCN1C 1256466836 VSZCYZGQYHHFMJ-PBHICJAKSA-N 401.515 0.890 30 20 HCED CCC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)C1 1319152919 IJMQUGKRQLRPMQ-KGLIPLIRSA-N 406.512 0.982 30 20 HCED C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1nnnn1C 1345074435 KYRYSARGSVILRS-QTVDBSQPSA-N 406.472 0.906 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 1351736700 UDEDRZACQSHQLA-CQSZACIVSA-N 401.471 0.984 30 20 HCED CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1508278473 LZUFCVDCEJWPCI-QGZVFWFLSA-N 403.531 0.760 30 20 HCED CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1=O 1515781352 JDPRJWKDMFVYTO-UONOGXRCSA-N 421.527 0.714 30 20 HCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1544576830 VCINZZIPILRSLL-AWEZNQCLSA-N 421.465 0.572 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CCO1 1554445283 XEHIQZBHGNZPJG-QGZVFWFLSA-N 421.465 0.450 30 20 HCED Cn1c(C#N)ccc1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1598073613 ZXSHDBRIBPMEKC-UHFFFAOYSA-N 402.432 0.471 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705747374 LJSIBYNZXOMGFK-WDEREUQCSA-N 411.937 0.264 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712884297 JVQWBMWESWFGGZ-DZGCQCFKSA-N 400.443 0.402 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1723879735 TVUQWPSBCROUQX-MRXNPFEDSA-N 409.494 0.721 30 20 HCED 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BMVBWMAUPKIMJH-SFHVURJKSA-N 404.379 0.284 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839843282 WKBGPTKOLQRBIY-JLTOFOAXSA-N 418.450 0.457 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1)C(F)(F)F 1839892143 WCEZBDNVOZIIPB-QGZVFWFLSA-N 414.384 0.594 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)CCC1 1840498919 GREODKBUYJVZQT-NRFANRHFSA-N 414.462 0.480 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC4CCOCC4)C3)C2)CCC1 1840813026 YZMBIAOYFDUVDX-OAQYLSRUSA-N 405.495 0.953 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840844498 YZWMXHGIKNHGNO-XVAXZDLZSA-N 404.463 0.200 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841099436 GKFRGCREESXWLK-QGZVFWFLSA-N 400.435 0.369 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@H]3CCC(=O)NC3)C2)c(C#N)c1 1841114031 SQLOLHXQNWROTA-INIZCTEOSA-N 410.474 0.839 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)O2)C1 1841650598 LBWFHQRLXFPDDR-KBPBESRZSA-N 420.466 0.215 30 20 HCED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)CC1 1842828011 LJENIZYNXNIMRR-UHFFFAOYSA-N 416.566 0.526 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844231170 CUCAHTSKTFZMKL-CYBMUJFWSA-N 423.477 0.959 30 20 HCED Cc1nc(C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)c(=O)[nH]c1C 1844282160 IIPOMAPMJOCXAO-UHFFFAOYSA-N 412.490 0.902 30 20 HCED CCN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 110086122 HKGOGBUIYKQBHA-BEFAXECRSA-N 418.475 0.361 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCN3CCCC3)CC2)c1 216879359 IQXBXCNFTJVCOT-UHFFFAOYSA-N 404.536 0.452 30 20 HCED Cn1c(NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(C#N)c(=O)n(C)c1=O 301133586 VSPPQDRZVVTJSP-UHFFFAOYSA-N 416.869 0.370 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 410158168 DHTLJHOKMNGDQB-LBPRGKRZSA-N 421.570 0.484 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441951794 BVHFYZSUROFKPW-LBPRGKRZSA-N 410.455 0.193 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1C 461731031 UKYAOAOSAVNWMJ-UHFFFAOYSA-N 403.464 0.558 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 465182648 GNZBQFCTOCHKJF-OAGGEKHMSA-N 410.478 0.951 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 465186604 GZVDDQZDZZCWSS-UONOGXRCSA-N 411.466 0.638 30 20 HCED CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCN(S(C)(=O)=O)CC1 469442340 HNGMEKUSGAMSIF-UHFFFAOYSA-N 402.480 0.822 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 483585061 SBSGAGCPBCKQJP-UHFFFAOYSA-N 413.459 0.993 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)CC2)cc1 490655717 ORFNKHFRPJDBTD-UHFFFAOYSA-N 403.483 0.848 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 492166472 FETIGTBQJBCBCU-UHFFFAOYSA-N 413.883 0.781 30 20 HCED C=CCN1CC[C@H](N(C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 499996378 MPRWCRNFPVRSEM-IBGZPJMESA-N 423.535 0.805 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCc3nc(O)n[nH]3)c2)c1 504612879 HOHQMBDVMQZJJZ-UHFFFAOYSA-N 419.397 0.952 30 20 HCED Cc1c(Br)cc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1C(=O)O 505832891 NMQILAXEPHRIQP-UHFFFAOYSA-N 414.241 0.897 30 20 HCED CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508307220 DSCIBKUFQOSIGR-UHFFFAOYSA-N 405.440 0.056 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 515091546 KAICASRHKCLEAR-JUCITSJASA-N 408.528 0.451 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 531546723 PJRKKMPEIDKXGB-GFCCVEGCSA-N 403.468 0.278 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 538166775 GLJJBGUBYJPJBR-KGLIPLIRSA-N 400.439 0.717 30 20 HCED COC(=O)CN(CC(=O)OC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 540553917 QRJCNRGHZTUOJC-CQSZACIVSA-N 408.480 0.105 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)n2)c(Cl)c1 541142481 RKGZHCQTCSYMKA-LLVKDONJSA-N 401.814 0.605 30 20 HCED CC(C)[C@@](C)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 541212732 WCCHEKOAACOCSB-SNUQEOBHSA-N 412.458 0.082 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COCCNC(=O)c1ccccc1 542232963 ZMMHQRMUFBZWRG-INIZCTEOSA-N 408.462 0.832 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 549238988 XRXXRURMUCMIJV-UHFFFAOYSA-N 414.465 0.655 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCCN2CCCCC2=O)CCN1Cc1ccccc1 553280404 DFNPLCZMRREIKE-LJQANCHMSA-N 411.506 0.742 30 20 HCED C[C@]1(C[C@@H]2CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)NC(=O)NC1=O 553451995 DFYPXHFVZGLRAW-MGPUTAFESA-N 407.434 0.919 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCSC1 556209554 YFJHKOQHWNIXDO-IBGZPJMESA-N 402.524 0.155 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H](CO)c2ccc(Br)c(F)c2)n1 556488609 FCJYOPRYLBQHIJ-CYBMUJFWSA-N 424.230 1.487 30 20 HCED COc1cc(OC)c2ncc(C#N)c(N3CCN(CCS(N)(=O)=O)CC3)c2c1 557584951 WRIZXPSTQRJGAG-UHFFFAOYSA-N 405.480 0.534 30 20 HCED C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 571813447 KFEWTIRHRNLDOI-WUTCKBNWSA-N 419.463 0.338 30 20 HCED COC[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 576664524 PNQZFWATOZWZIG-SJORKVTESA-N 400.435 0.044 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](N2CCNC2=O)C1 578285299 KGAKBXJTKBYBSE-HNNXBMFYSA-N 415.450 0.538 30 20 HCED COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)C2 588036520 XRZMHPFUHGSUNU-QGZVFWFLSA-N 421.457 0.730 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H](CC(N)=O)C3)n2)c(Cl)c1 588744678 BKRDMRLHOURIHB-LBPRGKRZSA-N 400.826 1.060 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(-c3cccc(Cl)c3)no2)C1=O 604337462 ZTQYCPBKUPMLFG-UHFFFAOYSA-N 403.782 0.983 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609128735 GNYLPUVRJULYOI-MRXNPFEDSA-N 414.466 0.199 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)nc1 609778878 WESAPLPMPSDEPJ-UHFFFAOYSA-N 404.430 0.526 30 20 HCED N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 610336845 NOZRDMLLHSAUMU-GOSISDBHSA-N 420.491 0.628 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@H]2CCOC2)CC1 610913337 UCTIFTLHKHMPBS-YOEHRIQHSA-N 406.508 0.595 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 611429604 XJTVOSXUBQPUMS-OTWHNJEPSA-N 417.579 0.988 30 20 HCED CC1(C#N)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611668354 HWCLMPDOBOVSKD-ZFWWWQNUSA-N 422.463 0.871 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C[C@H](O)COc1ccc(CC#N)cc1 613144403 TWVUTAWADZAJLJ-SJORKVTESA-N 409.508 0.118 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 728573513 PRTJKPZNFPGXJJ-UHFFFAOYSA-N 411.275 0.894 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cn1 732796294 BMTWFURCZMVHQX-UHFFFAOYSA-N 421.482 0.558 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 737225576 VXMFDQMFBJPUBL-UHFFFAOYSA-N 414.915 0.820 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 737307984 UQPOBYJCEGPFSL-JGWKNBOWSA-N 409.446 0.645 30 20 HCED CN1CCC[C@@H](N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)C1 738209390 AVVHBDHSXVLGFH-DENIHFKCSA-N 410.522 0.995 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C(=O)C1 741374061 NZFKQHURHGMNNU-LJQANCHMSA-N 408.455 0.417 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)cc1 748753750 LVHMTEBLAJBWKH-INIZCTEOSA-N 407.517 0.639 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(-n4ccnn4)c3)CC2)o1 756267862 LDXKHNUDMRHNCN-UHFFFAOYSA-N 421.417 0.941 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 757589590 GPLWIPROJWXMEI-NEPJUHHUSA-N 414.509 0.902 30 20 HCED COc1ncc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1C(N)=O 762011106 OITPADIWHGCHQS-INIZCTEOSA-N 409.402 0.599 30 20 HCED CS(=O)(=O)CCN1CCC(NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1 766806974 TZRDHRQJUFGNLU-UHFFFAOYSA-N 403.501 0.626 30 20 HCED C#CCOc1ccccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 776094823 KNNOMEHVVRPKGB-UHFFFAOYSA-N 400.435 0.234 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)C(=O)O 776587690 LSGSGVSGRGKHCZ-OAHLLOKOSA-N 403.478 0.645 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777947845 YEUNADGETMHSRS-UHFFFAOYSA-N 422.419 0.028 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CNS(=O)(=O)/C=C\c3ccccc3)nc12 782407422 VYJGVSCAWGFNCA-SREVYHEPSA-N 413.415 0.940 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 783206597 YCHGGBBIUZOQIT-ZDUSSCGKSA-N 403.526 0.898 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 784822565 LZSMMIBXBDCQOG-SFHVURJKSA-N 400.479 0.160 30 20 HCED CN(C)C1(CNC(=O)C(=O)NCCNc2ncccc2C#N)Cc2ccccc2C1 787756690 QKQUVFKQEGARCO-UHFFFAOYSA-N 406.490 0.697 30 20 HCED C#CCn1ccc(CN(CC)C(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)n1 790119041 KUVCWCRDDOFIEK-UHFFFAOYSA-N 406.464 0.843 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc(C(=O)O)ccc2Br)n1 794841963 YZDRTQOVHURFPB-UHFFFAOYSA-N 400.214 0.589 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1F 804165188 QJHPRFZYGGOSEQ-MSUUIHNZSA-N 410.427 0.931 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)c2cc(C(F)(F)F)ccn2)n(C)c1=O 813212658 FBJZWUZZAJWUSM-JTQLQIEISA-N 406.324 0.724 30 20 HCED CCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 832520748 LFIVTFUBDLGNQX-ZDUSSCGKSA-N 413.521 0.541 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCC(=O)N2CCOCC2)cc1OC 916924123 RJCGVNXKCLONIY-MRXNPFEDSA-N 417.462 0.710 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 918319565 RAONOXJAQMZHEV-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1154915037 LTKJZGUEMSJUPD-AWEZNQCLSA-N 405.455 0.972 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1CCN(CCC#N)CC1)C1CCCC1 1230510822 MYZMWSPIACVFOU-INIZCTEOSA-N 400.549 0.182 30 20 HCED CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1296044991 HWKSQDBVKZAZMR-MPGHIAIKSA-N 410.519 0.964 30 20 HCED N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1303001412 YLODOUMMYGKVAD-IBGZPJMESA-N 416.507 0.553 30 20 HCED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(N)=O)c2)CCO1 1303010660 ZMTIAEMWXIPLLK-QGZVFWFLSA-N 423.477 0.471 30 20 HCED CC(C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303274640 JFJKDPLLHRXIJD-SJORKVTESA-N 400.531 0.746 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)n1 1304762660 KAGOHQIDEAFSFO-MRXNPFEDSA-N 400.487 0.783 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1n[nH]c(C)n1 1306200004 ODVXNKIEEQYDGI-ZDUSSCGKSA-N 407.486 0.887 30 20 HCED CCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)C1 1313884669 RFZNKCXITBWMSF-KEYYUXOJSA-N 413.523 0.672 30 20 HCED NC(=O)NC1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1318916027 ZBUHGBXWQYIWNI-UHFFFAOYSA-N 421.523 0.945 30 20 HCED COCCn1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1=O 1319751264 JLJFOSIIMKXLLU-CYBMUJFWSA-N 404.448 0.672 30 20 HCED COCCOCc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1F 1343446400 JAEFHVLDTPNZFQ-OAHLLOKOSA-N 412.439 0.568 30 20 HCED CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CC1=O 1503683822 WGJACZAVCUGKON-UHFFFAOYSA-N 421.465 0.269 30 20 HCED COCCn1cc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1504904777 SWIBWRZTJAFMSR-SFHVURJKSA-N 408.466 0.884 30 20 HCED CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)C1 1515844749 KZHUTBJLGVIBHM-DLBZAZTESA-N 424.571 0.888 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1517589378 RZLAHWIJBHQSOD-UHFFFAOYSA-N 422.493 0.947 30 20 HCED N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1521149046 OGDNHNXIOOYOHK-INIZCTEOSA-N 420.539 0.965 30 20 HCED CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)C1 1543837268 IKUBYLQWWBZUJS-KRWDZBQOSA-N 424.461 0.625 30 20 HCED CC1(C)CN(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCO1 1611797789 WIHBOXUQKRPLTQ-MRXNPFEDSA-N 417.514 0.240 30 20 HCED Cn1c(O)nc(N2CC[C@H](NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)C2)cc1=O 1652827162 JGVBMQPGXGGJNI-RDJZCZTQSA-N 408.462 0.721 30 20 HCED Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(C)(=O)=O 1693267220 TZRPJXMYEWLBMV-INIZCTEOSA-N 404.496 0.455 30 20 HCED CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1766859563 KUHKUJXOJUNZGM-SFHVURJKSA-N 400.418 0.846 30 20 HCED COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1770548410 JATQPDZSKAXPLR-SJCJKPOMSA-N 423.474 0.782 30 20 HCED COCCn1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCC#N)C3)n1 1778241799 AQMFCTFZPYQHNC-YLJYHZDGSA-N 403.483 0.961 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779085113 RAAZVRFYLDVRDG-PZJWPPBQSA-N 407.511 0.235 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1C)C2 1779338074 KUUFKTLTHZLEFY-NRVIRDBHSA-N 421.538 0.694 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccn(C(F)F)c4=O)C3)C2)CC1 1779357203 HEZGRTXJXOIFRR-LJQANCHMSA-N 406.389 0.991 30 20 HCED 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C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 435199910 CFCIVAOPDUHNGP-BBATYDOGSA-N 403.826 0.992 30 20 HCED COC(=O)C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(=O)OC 443490710 YLGFFWMAJHCGOM-LLVKDONJSA-N 405.226 0.704 30 20 HCED CCOC(=O)c1n[nH]c(C2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)n1 444754283 BNNMKPAUWGHRQG-UHFFFAOYSA-N 410.434 0.989 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)nc1 463180020 IWRPLMMZWMBGHU-OHDICMOHSA-N 409.446 0.154 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(CCC(N)=O)Cc1ccccc1 464865177 WTBZWKCMPKOFER-KRWDZBQOSA-N 421.505 0.763 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOC[C@@H]3C#N)CC2)cc1 464876260 NWPMKWJNRBOGPI-INIZCTEOSA-N 422.507 0.143 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Nc3ccc(C)cc3)CC2)C1=O 469635301 XUTAYMLCUYLXRR-UHFFFAOYSA-N 413.434 0.648 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 472018789 SKJPJNSCLXQMTC-LJQANCHMSA-N 417.473 0.886 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 479813449 RKCOHYLDQRQLKG-HXUWFJFHSA-N 410.584 0.467 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 481250300 CFXYFHBNAPNHNF-ZBFHGGJFSA-N 406.508 0.990 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)cc2OC)CC1 484198416 GULQKTYANJEQRV-UHFFFAOYSA-N 420.466 0.097 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 484975076 KHJSPHPMNMUROA-UHFFFAOYSA-N 420.451 0.993 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 488176118 BYGWUDWEHQRCTQ-UHFFFAOYSA-N 412.560 0.627 30 20 HCED CCn1cc([C@@H]2C[S@](=O)CCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cn1 488242333 HLFAOXWZEQAYKS-RMYSCLOFSA-N 420.583 0.701 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(CC(F)F)CC3)n2)cc1 492511303 JCHKNPTZFUVLLH-UHFFFAOYSA-N 403.393 0.546 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 498049268 YNZDZQMFIDTOOC-UHFFFAOYSA-N 404.452 0.503 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 498238605 KYOBWDRVPXHGRR-UHFFFAOYSA-N 422.488 0.456 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccnc(OC3CCOCC3)c2)C1=O 499857765 BYUADODNPOZORB-UHFFFAOYSA-N 402.407 0.232 30 20 HCED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 506879657 DVLIHWWZHSGEDC-UHFFFAOYSA-N 407.427 0.986 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n1 507662381 XYURNVQIRVMTIN-GXTWGEPZSA-N 424.527 0.672 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1 514030509 HJFBOZMRAQLKPP-PJIJBLCYSA-N 417.491 0.323 30 20 HCED CN1CCC(N2CCC(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 515493309 QXMFXTPPBCVHDQ-UHFFFAOYSA-N 419.551 0.511 30 20 HCED CCc1nc2n(n1)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 522318586 IXYRPGSCWWVHTD-CQSZACIVSA-N 402.480 0.464 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)c1N 524296342 UCAMTFQBHHYHMZ-UHFFFAOYSA-N 402.418 0.910 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 536947744 OCODQBMPLFMUKM-INIZCTEOSA-N 412.490 0.987 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1 538167366 CVYKDVCBMCBGFE-HOTGVXAUSA-N 417.466 0.685 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 550553266 WAQYZOGJLNKTHK-KRWDZBQOSA-N 407.430 0.495 30 20 HCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 550630821 UXSFOODZLNKNNF-UHFFFAOYSA-N 404.496 0.850 30 20 HCED COC(=O)c1cn(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)nn1 551604797 NUTWUYIMOLDQNO-UHFFFAOYSA-N 401.402 0.607 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCCN(CC(=O)N(CC)CC)CC2)CC1 553669699 HURHJYNJFLOJNG-UHFFFAOYSA-N 407.559 0.156 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccc(C#N)cn3)C2)cc1 556153606 WPPRDAMXTDUNMP-UHFFFAOYSA-N 415.431 0.090 30 20 HCED C=CCOc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 557573319 QREQCKKCRDQSGA-WVSUBDOOSA-N 413.434 0.615 30 20 HCED N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)n1 558593466 XVTSNIMZUIOBQF-UHFFFAOYSA-N 404.433 0.587 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 564270051 SRMBOUDWSRTRFR-UHFFFAOYSA-N 422.919 0.235 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CCN1Cc1ccccc1 565730947 RWMROBTZLCUYOS-LJQANCHMSA-N 420.473 0.164 30 20 HCED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 575011759 LDMPYIQQIHXYFW-WOJBJXKFSA-N 413.522 0.450 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)cc2)n1 583536129 VYABYQVRMHHNBM-CQSZACIVSA-N 424.392 0.773 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)CC2)nc1 587648239 UXSBLOBAWIRYKR-MSOLQXFVSA-N 413.478 0.445 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CC(N)=O)cc2)cc1 589465171 JQYPBPAADRGUCC-UHFFFAOYSA-N 400.460 0.836 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CCN3CCOCC3)n2)c1 596171850 LLCVWHOSPKJKHG-UHFFFAOYSA-N 419.507 0.932 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 605252665 WTGWNDFKDRIILT-MRXNPFEDSA-N 410.434 0.196 30 20 HCED COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCCn2ncc(C#N)c2N)cc1 731772682 SOYZZRXOOWHCIF-UHFFFAOYSA-N 421.479 0.990 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)cc1 732563560 KUOOIWRTYXKTIX-LJQANCHMSA-N 418.563 0.839 30 20 HCED N#C[C@@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)C(=O)N1CCS(=O)(=O)CC1 732911202 XWQULZPXXYWXOA-HNNXBMFYSA-N 423.454 0.976 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2C(=O)CNC2=O)cc1 733624529 LORMGSRGIMRSQN-STZFKDTASA-N 422.467 0.173 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 733770831 KQUYECWQTCYXGS-HNNXBMFYSA-N 424.461 0.821 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 734070090 SCIZSWXRIQKHDC-SEYXRHQNSA-N 407.368 0.740 30 20 HCED CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737268937 WHAOMHBPHWCOMV-AFDUHFSSSA-N 410.496 0.715 30 20 HCED C#CCCN1CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 744364583 PCJGOHPQHVUUHV-UHFFFAOYSA-N 418.563 0.614 30 20 HCED CCCC(=O)N1CCC[C@@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 748375597 GVCYXBQDCMTSML-MRXNPFEDSA-N 417.466 0.838 30 20 HCED C#CCN1CCN(C(=O)CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 748819075 FBCFIHWFGWEJEV-UHFFFAOYSA-N 407.559 0.248 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCSC 751828534 TVODWDKMHHFLOF-UHFFFAOYSA-N 405.549 0.518 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(OCCC(=O)NC)CC1 752137504 REEDWOPJRCGENJ-UHFFFAOYSA-N 405.426 0.920 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758079268 IJDHXDMZNJYWKZ-UHFFFAOYSA-N 415.478 0.534 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 759056155 BQIHDOGGNJHWTG-UHFFFAOYSA-N 420.535 0.871 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(OCCN(C)C)c2)c1 762740673 HVWFHEMGFDVCGF-UHFFFAOYSA-N 416.503 0.864 30 20 HCED C[C@@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)/N=C1/NS(=O)(=O)c2ccccc21 768586413 ZECRCUOAWXDIID-NSHDSACASA-N 406.424 0.425 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ccccc2C#N)CC1)c1cc[nH]n1 772154988 MLQVPEHVOLKUTB-UHFFFAOYSA-N 410.434 0.914 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)CC(=O)Nc1cc(C)ccn1)c1cc[nH]n1 772175664 MRSIRUMNCMMHKH-UHFFFAOYSA-N 402.411 0.494 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 774012662 JLSADHHSCFBBCH-UKRRQHHQSA-N 409.414 0.539 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1 777274171 HFRAVVDTFFZMCS-MRXNPFEDSA-N 403.435 0.579 30 20 HCED COC[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 778500099 ALLQWVFDZHCRHH-KBPBESRZSA-N 411.480 0.444 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC[C@@H]1O 778896871 DBIKIMSCMSTHJA-PJBPHQFTSA-N 422.507 0.667 30 20 HCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)C1 784556908 KTZXLUGLZPAMND-IYBDPMFKSA-N 419.551 0.832 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 787341704 DTHJWYHUORQUIB-UHFFFAOYSA-N 418.397 0.605 30 20 HCED C[C@H](OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)NC1(C#N)CCC1 787600679 OSHXBUIAJBOPCF-YEJXKQKISA-N 410.430 0.874 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)n1 789787003 DEBUXCJOHTVVDQ-SFHVURJKSA-N 414.466 0.506 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C)o2)c1=O 794581132 FGEPSGPLMMZNPU-CQSZACIVSA-N 402.472 0.956 30 20 HCED CCOC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)NC(=O)N[C@H]1C 796493895 ZDMSHHDNCQIEBC-STQMWFEESA-N 407.471 0.950 30 20 HCED C#CCN=c1nc(N2CC[C@H](N3CCCC3)C2)[nH]c(N2CC[C@@H](N3CCCC3)C2)n1 804423841 AKZPFCPASRIKBW-KDURUIRLSA-N 410.570 0.688 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)CC1 804891394 MSEFVAFDZJESHW-MRXNPFEDSA-N 403.479 0.846 30 20 HCED CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 805057480 IKQVAFVAFPVRCW-HXUWFJFHSA-N 407.515 0.854 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1ccncc1 805812166 RITGOWSNVMNLFM-KRWDZBQOSA-N 408.462 0.658 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)n1 807694522 MCFMOIUBRHLTON-KRWDZBQOSA-N 410.478 0.281 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1COc2ccccc2[C@@H]1O 808970887 FVJQKNSLWQZMQR-YJBOKZPZSA-N 418.413 0.997 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 810780661 LTRBQLNMXSUTCU-CYBMUJFWSA-N 402.469 0.696 30 20 HCED CNC(=O)Oc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 815583070 WKPMBHWVXOJNJW-UHFFFAOYSA-N 403.439 0.418 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)cc1 815707142 MYBVSUMQDSZXDL-ZSHCYNCHSA-N 421.475 0.309 30 20 HCED CN(C)C(=O)[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCN1C(=O)[C@H](F)C(F)(F)F 815786023 QXERNHUAMSPTPH-FXQIFTODSA-N 413.265 0.915 30 20 HCED Cn1c(C=NNc2ncnc3c2cnn3-c2ccccc2)nc2c1c(O)nc(=O)n2C 920373537 CRTABPHPKORWEK-UHFFFAOYSA-N 416.405 0.948 30 20 HCED CN(C(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(C)(C)C#N 921101563 ODVNSMCANSMKCB-UHFFFAOYSA-N 414.509 0.670 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c(C)c[nH]c1CC(N)=O 1000753294 ORCXEUSOMAITNJ-BJMQQELFSA-N 400.479 0.804 30 20 HCED C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C(=O)N1c1cnn(C)c1 1116154904 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HCED C#CCCCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822029466 TYBKSGKZYKVXET-GOSISDBHSA-N 419.526 0.882 30 20 HCED Cc1nnc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)s1 1822200672 QIORKXGQIBQBNE-LBPRGKRZSA-N 402.436 0.892 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H]3C)C2)C1 1829770417 OKLQDYFGRQUJOB-HECUFKPYSA-N 419.522 0.737 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnco4)C3)C2)cc1 1829898955 PPWFXKGBRHREHL-NRFANRHFSA-N 410.430 0.859 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1830060649 YJDLLIKIBUZRBV-FQEVSTJZSA-N 418.498 0.653 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1830064874 WNYMFXUZGZQUHB-XMSQKQJNSA-N 415.490 0.596 30 20 HCED CC(=O)N[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(C)(C)C 1831087422 PTLYLVAYXTYNDO-HRAATJIYSA-N 420.510 0.297 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)C(C)=O)CCO2)C1 1831125281 LNYLBIXJCYJXAR-KKSFZXQISA-N 410.511 0.631 30 20 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C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836077145 YXDAEZMXAUGYCH-IFXJQAMLSA-N 424.523 0.437 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c1 1836481237 UQSXDODHRPWMPS-GHTZIAJQSA-N 414.437 0.295 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1837135314 REAGUNGVZUIEDC-UHFFFAOYSA-N 404.427 0.704 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1837299736 ILNGENYFVMIGJP-LAUBAEHRSA-N 422.526 0.482 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838680995 UHJVDGNLUMNEQI-JFOGYLRVSA-N 415.450 0.500 30 20 HCED CSCC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742019 MGHPOXONRHAIHB-QFBILLFUSA-N 422.507 0.070 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949800 UPAVZYCKSXBQOM-JOCHJYFZSA-N 423.473 0.984 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc(C)c1C(=O)O 1839479913 CCHLMTOSSNANGH-NRFANRHFSA-N 415.446 0.985 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839840139 XZXJHRIYADOXIF-KXBFYZLASA-N 421.454 0.460 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@H](C)S)C4)C3)(C1)C2 1840007082 MAYQAKAOCOVHTQ-CYBNEDPLSA-N 412.508 0.104 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)c4ccn(C)c34)C2)C1 1840174021 DGNJHBFTMCLMNT-NRFANRHFSA-N 414.462 0.925 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840446941 QFDMDDBXDHLHDB-QFIPXVFZSA-N 423.473 0.176 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1840843860 PNKVLPNIRSDIIU-QFIPXVFZSA-N 411.458 0.665 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CN4CCCC4=O)C3)c2c1 1842832362 WOCCAZIQACYGPJ-UHFFFAOYSA-N 406.446 0.874 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)C2 1846196072 INXQOIIQWPODDL-UHFFFAOYSA-N 405.410 0.549 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846202293 BPNAVSZNQUKLPB-CQSZACIVSA-N 405.451 0.677 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](N)Cc1cscn1 1847261318 KXTZKOFJQFIGOK-YBVPMBIDSA-N 403.508 0.073 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC(=O)OC(C)(C)C 1847262340 QMNDZQYARWZLCP-WCJAYBPRSA-N 420.510 0.960 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1ccc(F)cc1 5366340 GRFBWSGGUKZNFT-UHFFFAOYSA-N 405.407 0.835 30 20 HCED COCCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 22805399 NNOUJPQASMCVFJ-UHFFFAOYSA-N 421.929 0.967 30 20 HCED CC(C)[C@H]1C(=O)NCCN1CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 111039916 WDTYLTMEVMGSMM-SFHVURJKSA-N 421.523 0.552 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 409569873 JQYUVTAVOXOVTD-UHFFFAOYSA-N 420.495 0.718 30 20 HCED C[C@H]1CN(Cc2ccccc2CNS(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H](C)O1 409574075 ZOPVVDFOQVKRAL-JTDSTZFVSA-N 408.524 0.855 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1Cl 426851901 UXPMXRDRWLDZIM-UHFFFAOYSA-N 411.827 0.374 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)OCC)cc1 428102627 NXUSSPFUZCDGOE-CYBMUJFWSA-N 411.480 0.747 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 430555349 IFAWAHXKATWYOJ-XIRDDKMYSA-N 424.523 0.299 30 20 HCED CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)nc1 432807082 CFHFAMSCBVZDSJ-UHFFFAOYSA-N 415.479 0.953 30 20 HCED CC1(C)CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[C@@H]1C#N 434027970 OOERCZGZMTVFOI-MRXNPFEDSA-N 404.492 0.961 30 20 HCED CCn1cccc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1=O 435148915 RKVLTMZKKXHTCR-UHFFFAOYSA-N 408.393 1.320 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CC(=O)OC)cc1 435741083 HNNLUQNAFZJTMS-HNNXBMFYSA-N 423.491 0.986 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 438623037 WJFKNOLBAHFOTB-CUTGZKAYSA-N 424.457 0.922 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)n1 439817449 JXDPEXRZZARLIC-CYBMUJFWSA-N 410.482 1.392 30 20 HCED CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460604480 HLSIBMLBQSULFX-OAHLLOKOSA-N 409.450 0.842 30 20 HCED N#Cc1cc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nc2ccc([N+](=O)[O-])cc12 461463802 NUBXULMHTYYNHF-UHFFFAOYSA-N 424.417 0.522 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1C 465494284 VCKFWVKAIFXOIB-LBPRGKRZSA-N 404.452 0.373 30 20 HCED Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472350349 TYHWRVQRAXBBJR-UHFFFAOYSA-N 419.463 0.823 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)c1C#N 472760932 BLRVZITWEROJCG-QGZVFWFLSA-N 420.473 0.768 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)C1=O 473140473 LKGUGEYLMJSTTC-STQMWFEESA-N 423.470 0.491 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)c3cc(C#N)ccc3Cl)cn2)CC1 476329402 BTLWNINKRRAMMD-UHFFFAOYSA-N 422.898 0.983 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 481894365 ADCJPTRXESVZJZ-RBUKOAKNSA-N 416.453 0.752 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 484612173 CJJXSXMISAFCQZ-UHFFFAOYSA-N 416.522 0.993 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 486633670 VDYRXGAQQWZUEJ-INIZCTEOSA-N 401.510 0.619 30 20 HCED N#Cc1ncc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 488733453 JKKFANJPCUFQIT-UHFFFAOYSA-N 403.420 0.387 30 20 HCED Cc1onc(CC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1C#N 500076493 OLAWRMGXKMVFIR-UHFFFAOYSA-N 418.431 0.358 30 20 HCED CCCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502045660 VDYFZZLKHVMIGQ-HNNXBMFYSA-N 415.519 0.242 30 20 HCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccnc3c(C(N)=O)cnn23)cc1 502962791 WIHWBWYIQQUTKE-OAHLLOKOSA-N 421.442 0.854 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 504004123 GPAMHYHHHSWJTI-CYBMUJFWSA-N 407.430 0.850 30 20 HCED COCCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 509827814 PZRLLTYSWOYMDV-INIZCTEOSA-N 413.434 0.080 30 20 HCED N#CCNC(=O)CNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 511915475 HBINHLWFRQHRRU-UHFFFAOYSA-N 408.256 0.556 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1=O 514885290 XBKFWMRHNUPLRE-WMLDXEAASA-N 411.462 0.249 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccncc3)c2=O)cn1 523861945 LYJVYMXAPILLFW-UHFFFAOYSA-N 420.498 0.636 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)c(C)c1 524280996 AFCSIDQOQCMBNN-UHFFFAOYSA-N 410.499 0.137 30 20 HCED Cn1cc(N2CC[C@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 533343401 HNCJUBJFXQZKNP-SFHVURJKSA-N 414.491 0.404 30 20 HCED C=CCNC(=O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 539703195 VQKQYYYDOLMRPV-ZDUSSCGKSA-N 410.452 0.414 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 539909051 RMLWRQUUYLCPCR-KXBFYZLASA-N 415.523 0.789 30 20 HCED CC#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 542672086 ICEYMSSICZWPBI-OAHLLOKOSA-N 420.940 0.951 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OCCCC#N)c2)c1=O 549767157 MGMJGUUCYPDGSY-UHFFFAOYSA-N 408.483 0.911 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 553733153 HHLIHRSJCCRDPP-INIZCTEOSA-N 400.545 0.072 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2nc(CN3CCOCC3)cs2)c1 553876528 NCVPFOLANIRCSF-UHFFFAOYSA-N 421.504 0.764 30 20 HCED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 554694021 AYELIMSEXLITKO-MDASCCDHSA-N 409.490 0.374 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)NCC(=O)NCC#N)cc2)C[C@@H](C)O1 558227839 VSAZEPZWDOASQR-CHWSQXEVSA-N 409.468 0.246 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)cc1 560982314 NHDLWRHCDBMVOZ-UHFFFAOYSA-N 408.462 1.567 30 20 HCED Cc1cc(C#N)cnc1C(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 568542166 ICKNSFCLUAJBEK-UHFFFAOYSA-N 405.402 0.853 30 20 HCED Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589471103 LEGCRMSZUBHRLT-INIZCTEOSA-N 403.464 0.777 30 20 HCED C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCS(=O)(=O)C1 609214407 NODQIDNENOCRQU-OAHLLOKOSA-N 411.505 0.612 30 20 HCED N#CCCN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 609850523 SPLJKJUPVHGLHY-UHFFFAOYSA-N 412.493 0.526 30 20 HCED CS(=O)(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 611430356 AHIWXBYTQNSTMU-MRXNPFEDSA-N 410.565 0.966 30 20 HCED N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 615549222 MXDSVOGIYQBWNY-HNNXBMFYSA-N 403.457 0.334 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(=O)COC)CC1 669805361 NEDREWZUNQPJAX-UHFFFAOYSA-N 423.481 0.838 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(=O)N(C)C 684535280 NBIWHBDHYVEEPJ-UHFFFAOYSA-N 415.519 0.504 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 685170032 ROODYKJWKNBBCP-PBHICJAKSA-N 411.462 0.911 30 20 HCED O=C(C[C@@H]1S/C(=N/CCc2ccccn2)N(CC(=O)NC2CC2)C1=O)NC1CC1 726106493 OJJNCWPSZUQUGA-JDAKFOBDSA-N 415.519 0.871 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 729281780 ONAXRJMNWFGXFK-FQEVSTJZSA-N 410.518 0.627 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1 729974402 GEGXQPSVGWEZAZ-UHFFFAOYSA-N 401.492 0.290 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CC)c2=O)cn1 732662888 CMRLRJBDTFZMBO-UHFFFAOYSA-N 403.533 0.225 30 20 HCED CC(C)[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741096810 AIWHQJNUXOCAEY-MOLDEKSUSA-N 410.496 0.571 30 20 HCED CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746433869 VOGPSCGINWMTTR-LBPRGKRZSA-N 414.388 0.995 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(=O)NCCCCCC)C2)C1=O 748569366 RIULVNLMNLMKLI-OAHLLOKOSA-N 406.483 0.898 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC1 748817511 YKZOEOMEBSLHNB-UHFFFAOYSA-N 414.941 0.883 30 20 HCED C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 751731442 PSVNPBPTZRZLEM-GFCCVEGCSA-N 404.448 0.448 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCCCS2(=O)=O)c1 753677316 BTAIAQYFWCJCLZ-SFHVURJKSA-N 404.488 0.827 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756230859 JLYARWPKAHUUOD-DFEHZGFQSA-N 407.426 0.560 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nc4n(c3=O)CCCC4)CC2)cc1 758294884 NHUUBAQUTRJNJZ-UHFFFAOYSA-N 402.480 0.217 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)[C@H](C#N)C1 758535178 MWNUBRZNXRGYDH-CHWSQXEVSA-N 404.489 0.106 30 20 HCED C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 759175386 DVQDWMOSNFVVHP-UHFFFAOYSA-N 403.460 0.738 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)ccc1OC 759449811 LMFBJFSAJPHONV-MRXNPFEDSA-N 424.523 0.570 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)Nc2cnn(CC#N)c2)cc1C 760212774 MHQNIKSFMAXCDA-INIZCTEOSA-N 418.479 0.575 30 20 HCED C[C@H](CC(=O)NC1(c2ncon2)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 764367211 KILAUGLQTZDDLV-GFCCVEGCSA-N 419.463 0.709 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(Cl)c2)c1=O 766611333 JIWCLANEVSIEGH-UHFFFAOYSA-N 415.902 0.771 30 20 HCED CN(C(=O)COC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(C)(C)C#N 767536490 HREZYAPOQNMNPF-UHFFFAOYSA-N 401.467 0.814 30 20 HCED CCS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 770413476 RMSAEVKMWUEIBA-JXAWBTAJSA-N 402.498 0.377 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(OCC(F)(F)F)cc2)c(=O)n(C)c1=O 771893345 ZYRLSVPYCIZIQI-UHFFFAOYSA-N 420.369 0.338 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CCCC#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 776121117 DTMJXRBJXHFVLI-JHJVBQTASA-N 401.510 0.643 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(C#N)cn2)c1 781059027 SGWITYNIFLGHSF-UHFFFAOYSA-N 403.464 0.462 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 783001064 ZQBPZVLQCAEJTB-UHFFFAOYSA-N 403.526 0.773 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc2cccnc12 783957331 JESZUJZGRASYBC-UHFFFAOYSA-N 424.507 0.838 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)CC1 784391517 AJBRRFIDXHHYCJ-UHFFFAOYSA-N 420.473 0.084 30 20 HCED COC[C@@H](C#N)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 784954134 BPSLALHZAWLWQC-GFCCVEGCSA-N 412.424 0.555 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787776099 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C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)C(F)(F)F)C2 1793352891 RRCJQNJGGCFEOA-YWVIFJGQSA-N 421.416 0.237 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1793381370 VLTCERTWPMWNKH-NEBZKDRISA-N 419.507 0.593 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nc(C)cc1C 1794121859 FBLRIDROJBPBJM-BMFAXAFESA-N 405.499 0.890 30 20 HCED Cc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)n1 1795597352 GQBZMBNKTITLCV-XEMDLRDOSA-N 413.522 0.804 30 20 HCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)n1)C2 1796045374 VKTFHROCBSBUCU-CLLJXQQHSA-N 402.455 0.421 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1796455759 RUJZFCDNRHXHIA-PHXBYCTMSA-N 419.522 0.141 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccoc1C(F)(F)F 1796553992 WSELUDQQXYLBEY-WDAIWFPHSA-N 400.309 0.590 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCCOC1)C2 1797818203 KMSGEMFPGDOKIH-SOVFXRIDSA-N 409.483 0.532 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1F 1799179658 SEQYZPBFAMOAPJ-OIBBZDHESA-N 423.485 0.851 30 20 HCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2cncnc2)C3)cc1 1799640918 DJOIWPGDFMJQTG-CEQLMSFQSA-N 405.458 0.989 30 20 HCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCO2)c(C#N)c1 1800729496 PGRNFQLILNPSEQ-NZGUISNBSA-N 413.474 0.878 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cnccn1 1801450474 MDUYKDKUHSNKSJ-INOXAESOSA-N 414.462 0.589 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801653102 VDUSUBKRASEWBF-NKGKWGDASA-N 401.463 0.580 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1801953903 XPQLDDKKAJJWIW-MIFYACCESA-N 406.483 0.795 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ncnn2C)[C@H]1c1cccnc1 1802477548 QEIYIMUSNLTOAQ-FQEKARNZSA-N 423.477 0.388 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)[C@H]2c2cccnc2)c1 1811539763 WLWSTEHNNWTQKI-BXWFABGCSA-N 406.446 0.880 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)Cc2ccccc2)[C@@H]1c1cccnc1 1812880760 RTBWLWIMZCOULX-NNMXDRDESA-N 421.453 0.779 30 20 HCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@@H]1c1cccnc1 1813038773 UHNBGVBIDVJBQI-KVSKMBFKSA-N 405.568 0.653 30 20 HCED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 1813047387 UPRZKJKEGKWEJS-FCEWJHQRSA-N 411.462 0.489 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)CCN2CCOC2=O)n[nH]1 1818849995 MPONOGVTZMZEGE-ZDUSSCGKSA-N 403.395 0.332 30 20 HCED Cn1ncnc1C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819772632 CQJQNMKEGBBGLW-QDBSGRMGSA-N 416.511 0.969 30 20 HCED CNC(=S)NCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1CC1)CC2 1819802383 NKIALTLGGFMCMZ-GFCCVEGCSA-N 405.549 0.953 30 20 HCED Cc1nn(C)c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)c1F 1822199202 CSMFWEDXAYBVHE-LBPRGKRZSA-N 402.386 0.985 30 20 HCED C=CCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1822395204 WLUCVNPPHJQYON-HNNXBMFYSA-N 409.512 0.708 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674122 COBIAEQPVHVKGJ-CMPLNLGQSA-N 401.448 0.909 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1831216151 YXLBQPGNZWKZCD-QPPBQGQZSA-N 423.513 0.571 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1831218938 KQYFKEVSCXKSKN-OAQYLSRUSA-N 400.431 0.581 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)c(C)c3)C2)C1 1831386241 DKDXKQAHMWHOFZ-AVRDEDQJSA-N 415.490 0.807 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)nc3)CCO2)C1 1833126974 RSXZDODBEGQLRL-AVRDEDQJSA-N 415.490 0.427 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833502689 LATKJTIWDFYGGT-LJQANCHMSA-N 422.507 0.474 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834357672 UXHUFYMRWZCUNU-UTKZUKDTSA-N 421.469 0.864 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CCSC(=N)N)CC3)CC2)CC1 1834599774 NFYGBRXMKFPGBI-UHFFFAOYSA-N 406.556 0.879 30 20 HCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cnn1C 1835097076 RFALIZLRHZDBMX-HSZRJFAPSA-N 422.485 0.850 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835120892 HSXCYKZFDQJWIG-OAHLLOKOSA-N 405.543 0.975 30 20 HCED C[C@@](O)(C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1)C(F)(F)F 1835338733 RHGKETZMPIXSKA-GDBMZVCRSA-N 405.373 0.060 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674999 IJXJILJTSJOJEI-JXFKEZNVSA-N 410.515 0.007 30 20 HCED CC(C)N(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835679817 ASOVXZYXOCYBKI-OAQYLSRUSA-N 423.558 0.065 30 20 HCED COC(OC)C(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835729539 INNJNXDQFYMIAY-CJLVFECKSA-N 423.558 0.649 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)Cn4ccnc4)CC3)CC2)c1 1836167276 UWRMSFWMBFKEMT-UHFFFAOYSA-N 409.494 0.968 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1836870133 ATVBBTMVQTUVQF-HZPDHXFCSA-N 420.514 0.824 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnc4[nH]3)CCO2)C1 1837011138 GBWXETNFLLWEPF-ORAYPTAESA-N 404.492 0.951 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3cncc13)CCO2 1837107476 GMWGACJUWNBDJW-JOCHJYFZSA-N 408.458 0.818 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3cncn3c1)CCO2 1837118212 MNVLUQCHBCBLHP-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(C)C)C2)C1 1837399445 UDKQJYLHRMELHY-FIKGOQFSSA-N 412.527 0.829 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837846479 SVFIZNYIEBXFEC-KKSFZXQISA-N 421.469 0.864 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1 1838018230 AWPGFSZAYSCSGQ-UWJYYQICSA-N 418.494 0.572 30 20 HCED N#CCc1ccc(C(=O)N2CCC(OC3CCN(C(=O)[C@@H](N)CN)CC3)CC2)cc1 1838075481 XDZQUZMGGMKGIL-FQEVSTJZSA-N 413.522 0.651 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838081109 HXYUPFSMDFPOJZ-NSHDSACASA-N 410.496 0.818 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838480023 MHQMVUZNGNAAFR-OAQYLSRUSA-N 415.446 0.684 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4cnccn4)C3)C2)c1 1838742158 VLODIZRIOXSMAI-WODVNSBQSA-N 422.445 0.460 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1838951701 BQSRBGCEHGMREV-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839067907 MLUZPNMCRLDBIM-KNQAVFIVSA-N 405.539 0.978 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Br)cc1O)CCO2 1839269546 KLBWXSKAVZTRMH-GOSISDBHSA-N 423.263 0.858 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nc2nccn12 1839548246 MULYRCSRFRXUQS-NRFANRHFSA-N 424.461 0.412 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)cc1 1839865311 UTNNJOFJYRIIGC-OAQYLSRUSA-N 414.462 0.088 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1)C(F)(F)F 1839893399 XJJQBITYSKYRBK-QGZVFWFLSA-N 416.400 0.836 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C1(O)CCC1 1840811337 IOSBZDBMKFABQO-JXFKEZNVSA-N 405.495 0.688 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](CCC)NC(C)=O)CCO3)C1 1840850126 MHZMCUBUIJOOSZ-RXVVDRJESA-N 407.511 0.714 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C(=O)OCC)CCO3)C1 1840882096 FIUADRSBCRQDDJ-OAQYLSRUSA-N 408.495 0.998 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)CCN3C(=O)C=CC3=O)C2)c1 1841758055 OVGBWTFHPPTLKU-UHFFFAOYSA-N 410.405 0.829 30 20 HCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1841922193 SLVNWFZEPKXGEB-CABCVRRESA-N 417.462 0.747 30 20 HCED COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921200 VRCOVXYTWHYXCP-UHFFFAOYSA-N 424.542 0.541 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)CCNCC3)C1 1845796234 UZFUYWHQMPLHOK-PLNGDYQASA-N 423.517 0.445 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cc(C)on1 1847806931 DPRZMIKEJXNQMY-IRXDYDNUSA-N 404.467 0.897 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 8643289 PLVMIRHNZWICNP-GOSISDBHSA-N 400.347 0.542 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 17127075 NRDQUQWIPZTMEJ-UHFFFAOYSA-N 423.516 0.771 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNC(=O)c1ccccc1I 21825147 XGBXIRZVBRZEGO-JTQLQIEISA-N 414.199 0.702 30 20 HCED CNC(=O)COc1cccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 55783430 LZGHBBUSLIRTHN-UHFFFAOYSA-N 415.471 0.914 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 56123674 YWPXDFFOIFQJLM-UHFFFAOYSA-N 400.888 0.953 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 108938425 HKBSMDCOKIIXGR-OXQOHEQNSA-N 419.503 0.964 30 20 HCED CC(C)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 428148854 ZRQCMPUXKLHOGS-GJZGRUSLSA-N 406.508 0.940 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cc(C(N)=O)co2)CC1 430212824 QFNWAHVCGIWABB-UHFFFAOYSA-N 417.447 0.466 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)NC)C2)cc1 430460976 XIJYSXGWCVATFN-LJQANCHMSA-N 422.507 0.416 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)cn1 441184828 QJMXTIGJUCDFGM-UHFFFAOYSA-N 416.445 0.817 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 446229596 XYQVVCWKMRVMMN-UHFFFAOYSA-N 412.450 1.302 30 20 HCED Cc1cccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1C#N 446521825 IQQSWXQVFRJRSP-CABCVRRESA-N 405.476 1.000 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(Cn2ccnn2)CC1 460697196 JMDQMSHILKSZCT-UHFFFAOYSA-N 419.449 0.916 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c(F)c1 463599537 NFLBTCLIWIZBJW-FPAYPSAMSA-N 412.421 0.508 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1 465385343 APQPONYVAORUTA-FZKQIMNGSA-N 406.464 0.259 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1-n1ccnn1 465424701 PMFJRPXGWBEDPE-CQSZACIVSA-N 417.433 0.605 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2CCN(S(C)(=O)=O)CC2)c1 468887966 GPOOITBDIKYBFN-UHFFFAOYSA-N 415.537 0.647 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C 470510960 CKXNFQVHFOKEKV-CVEARBPZSA-N 420.535 0.937 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)c1C#N 472210546 WXJURBWDUUFCGQ-UHFFFAOYSA-N 412.475 0.953 30 20 HCED CC#CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 477620953 XDMKCCCRSOHNSA-ZDUSSCGKSA-N 405.398 0.757 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 481021686 WAAHASGLZXOQEH-AAEUAGOBSA-N 400.482 0.657 30 20 HCED CCC(CC)CN(CCC#N)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 484920302 QWPZCXJKHLUNIT-UHFFFAOYSA-N 407.559 0.641 30 20 HCED CS(=O)(=O)Nc1cncc(C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 502593736 FEQFXRNGADZQMC-YJYMSZOUSA-N 411.443 0.939 30 20 HCED C[C@@H]1CN(Cc2ccccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)C[C@@H](C)O1 508351577 WTTVPOQEWMLQOM-HUUCEWRRSA-N 411.466 0.514 30 20 HCED C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508907247 LQNYBUNWNUMALH-DZGCQCFKSA-N 414.441 0.890 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508921193 YCWCBNOTSKKHPF-INIZCTEOSA-N 416.530 0.528 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H](C(N)=O)O1 537165775 WMCIHLRPMPYBMC-FHLIZLRMSA-N 403.458 0.109 30 20 HCED Cc1cn2cc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)ccc2n1 540305466 QMCOTQTVXPPBJG-CQSZACIVSA-N 404.434 0.980 30 20 HCED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(O)c1 540510266 YAJVTSMGYQANOB-PXAZEXFGSA-N 417.443 0.961 30 20 HCED C=CC[C@@H](CO)CNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 543657347 PDTBZTFSAMECRI-CYBMUJFWSA-N 403.439 0.873 30 20 HCED COc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1-n1cnnn1 543801351 NHRLFWLMAHMZDJ-CYBMUJFWSA-N 405.422 0.683 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CCO1 543827942 WIZAEPBMRQEEJB-MRXNPFEDSA-N 410.434 0.273 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC1 553330596 OCYYIZZEADRLST-LPHOPBHVSA-N 420.533 0.558 30 20 HCED CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CCO1 561512394 NJFCYVAMQBDFMH-LLVKDONJSA-N 402.270 0.846 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cncn3)CC2)c1C#N 562157167 KQEHLQVNKZHJSY-UHFFFAOYSA-N 423.462 0.586 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 567926402 HPIZTSKVWVRUGU-UHFFFAOYSA-N 419.507 0.489 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 577800487 YPZRHSLTPDSWBF-UHFFFAOYSA-N 411.466 0.223 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)C1=O 578086669 JVSQXFLJWASRCZ-BBRMVZONSA-N 401.463 0.880 30 20 HCED COc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1NC(N)=O 589451936 VMFPFMMXWAJWMU-UHFFFAOYSA-N 403.420 0.974 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(C)c2)c1=O 589776227 RWIAHJSHTXDVMM-UHFFFAOYSA-N 415.515 0.903 30 20 HCED COC(=O)Cc1c(C(=O)OC)sc(NC(=O)Cn2cnnc2C#N)c1C(=O)OC 590653942 JVGFLPXAHSIUNB-UHFFFAOYSA-N 421.391 0.139 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccnn2C)c1=O 603552967 IICOOAPRGHFZTA-UHFFFAOYSA-N 416.503 0.715 30 20 HCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 604174593 KVEGHBKYJZHQJZ-YJBOKZPZSA-N 407.492 0.723 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 609457037 GXXQOPBLRCLLRW-OAHLLOKOSA-N 415.479 0.404 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN([C@H](C#N)C(C)C)CC1 610735058 QRHFJJREDIIIIJ-MRXNPFEDSA-N 409.512 0.447 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)O1 611374837 WUMLDSSJPXPFPF-ZBFHGGJFSA-N 416.482 0.891 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 672456724 DLECTHUGFBKJQX-DAYGRLMNSA-N 400.479 0.578 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 684789014 AFBPIKJBPZLFQT-PBHICJAKSA-N 400.435 0.774 30 20 HCED Cn1ncc2c1C[C@H](C(=O)NCC#CCNC(=O)[C@@H]1CCc3cnn(C)c3C1)CC2 684979957 OQBDMYMHBJRCHG-HZPDHXFCSA-N 408.506 0.299 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 728572345 AQSMDLDTMGPYTA-UHFFFAOYSA-N 408.886 0.663 30 20 HCED CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 731155079 REVRVYXHIJUGII-UHFFFAOYSA-N 417.451 0.289 30 20 HCED CC(=O)N1CCN(C(=O)COC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 731257187 RXBQFPDRGHWDPG-UHFFFAOYSA-N 414.462 0.947 30 20 HCED CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN([C@H](C#N)C(C)C)CC1)C2=O 731847640 ZLECECUVVOZDHE-LFDOHDQPSA-N 404.515 0.684 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1cccs1)N1CCOCC1 732439811 QLISYKGICHERFZ-YWMAMYRUSA-N 419.507 0.947 30 20 HCED Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746447078 RQHRQPWFDQLPTB-UHFFFAOYSA-N 424.461 0.712 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CC1 748817812 OXAPEFUXNPDZED-FQEVSTJZSA-N 404.942 0.768 30 20 HCED CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)C1 752407478 IZFVGJUMAWMYCM-AWEZNQCLSA-N 416.438 0.985 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 760009488 YHRGUOKYDBMEGQ-RIYHMSFISA-N 423.495 0.654 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 761033709 ZEXPYBLVQSKPNW-MRXNPFEDSA-N 422.576 0.989 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](S(C)(=O)=O)C2)C1 764740826 NTEGWPUZCOOMQN-MJBXVCDLSA-N 400.501 0.964 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CC1 767307370 CRHJENSNPZZSMR-UHFFFAOYSA-N 415.537 0.786 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)ccc1F 769578710 KUPFCEADWBVXKH-CYBMUJFWSA-N 419.500 0.573 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C(F)(F)F)n[nH]1 775917901 YCYPTYWUGBKZDO-UHFFFAOYSA-N 402.358 0.569 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)nc12 782603001 CFLYWZPGVQUODC-UHFFFAOYSA-N 407.795 0.964 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 783482036 ZUUJXABLATWVAI-GFCCVEGCSA-N 411.386 0.747 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 784825754 YFQCJWGRGKYWAW-KRWDZBQOSA-N 418.469 0.299 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793483353 KCNNCKVWOAKYAA-UHFFFAOYSA-N 407.540 0.760 30 20 HCED Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)n1 798742809 URJOQNCKZKRRBG-CYBMUJFWSA-N 409.410 0.794 30 20 HCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1C#N 799563838 CWVQQTZBVWYIJS-MRXNPFEDSA-N 411.505 0.141 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(F)c1 802560192 BCHCASMPPRDOGF-MRXNPFEDSA-N 404.417 0.650 30 20 HCED Cn1ccnc1[C@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810654857 AJFKUEQFTPTZLT-GOSISDBHSA-N 417.491 0.542 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)n1 811253073 MQTUNEQCCYLLRL-UHFFFAOYSA-N 408.414 0.899 30 20 HCED COc1ccc(C(=O)NCCCC(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1 813983489 WTGIAYXTPIGTSE-UHFFFAOYSA-N 402.432 0.977 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 822879640 QYZFAJIGIMKBLU-LBPRGKRZSA-N 414.867 0.656 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 857334002 GKKVMLYYIARLEA-ZDUSSCGKSA-N 410.448 0.011 30 20 HCED CCc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 916910496 ALZNEUBSGVUMHW-CQSZACIVSA-N 408.418 0.344 30 20 HCED O=C(C#CC1CC1)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]2CS(=O)(=O)C[C@H]21 995444948 GJKNRVMUDYLVJT-ZRSRNVLSSA-N 402.516 0.839 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(=O)N1CCCC1 1111041298 GFYHETFVOJJENT-DZVNLGKHSA-N 404.511 0.038 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](NC3CCOCC3)C2)c1 1161769369 LSPPIQWIRLGCAY-QGZVFWFLSA-N 406.508 0.596 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](NC(=O)C3CCCC3)[C@@H](C)O)CC2)c1C#N 1296471520 FKHROYYBEFSFQQ-PBHICJAKSA-N 402.499 0.305 30 20 HCED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1=O 1298891526 YWCNUGARKGAFAB-UHFFFAOYSA-N 409.494 0.817 30 20 HCED CNS(=O)(=O)c1ccc(Br)c(C(=O)NCCn2cnc(C#N)n2)c1 1324323305 HKFXFZJRTROKEL-UHFFFAOYSA-N 413.257 0.250 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1nnnn1C 1336717964 YMXSETBZMOQSIB-YPMHNXCESA-N 405.484 0.541 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCN2CCCO)cc1 1555988194 UHVFMKPJVIBFRW-RTBURBONSA-N 423.521 0.975 30 20 HCED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1584485883 UXDZIFORWPWIJN-HZPDHXFCSA-N 402.499 0.228 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cccn1 1692788262 ZRDZEBGPPQKHDF-XJKSGUPXSA-N 410.479 0.617 30 20 HCED CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1706259063 SMACEVHFTFXXHT-ZWKOTPCHSA-N 414.514 0.764 30 20 HCED CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1749888632 OJMWQUVXXSVKFJ-LJQANCHMSA-N 424.509 0.157 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825390 NNTNWJKMNBDYOC-HXUWFJFHSA-N 414.466 0.551 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1778970118 XWUFAIFNVGUAKD-UTKZUKDTSA-N 404.511 0.756 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1778971370 LFGLFODVQLLPAA-UTKZUKDTSA-N 404.511 0.999 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)N3CCN(C)CC3)CCO2)C1 1778980397 UNAXNKAPSIWGTB-FGSXEWAUSA-N 422.570 0.025 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)on1 1779015526 YKYGTWRETGJJON-DZSVRRGNSA-N 403.483 0.827 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1 1779016290 CGHJISKEJMSMKA-CNSRZQHFSA-N 402.499 0.493 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779285760 NBJXYAFLVUOQPC-PTZOJGTBSA-N 402.451 0.219 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cncn1)C2 1779337107 GRKBKGGJQAIUAK-ZGPJWRFFSA-N 419.526 0.926 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c1 1780168932 WIRASFAOFKXKEG-HXUWFJFHSA-N 410.434 0.453 30 20 HCED 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N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)n1 440958069 WHRKLMJQECTGPY-UONOGXRCSA-N 414.853 1.496 30 20 HCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncn(C)n1 444025644 QUVXVLCRULCPDK-CYBMUJFWSA-N 403.468 0.464 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@@H]3CCOC3)CC2)nc1 448494387 FIXVQXDPSYZQCR-INIZCTEOSA-N 409.450 0.474 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3nc4n(c3C#N)CCS4)cnc21 460712315 CAGNQTAKZQVKGM-UHFFFAOYSA-N 405.421 0.009 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 463525531 LQODCSUDCUEIRE-UHFFFAOYSA-N 402.432 0.973 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)CC1 474788147 PKBMLUGEYOPOEK-LJQANCHMSA-N 419.551 0.710 30 20 HCED N#C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475195853 IFIOFKRZOBVKFJ-GUYCJALGSA-N 420.491 0.891 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 482185902 ZCALMWGJYTXHHB-SJLPKXTDSA-N 420.535 0.796 30 20 HCED C[C@H]1[C@@H](C)OCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483511396 RSQBMWHLNCEOOF-JKSUJKDBSA-N 406.508 0.500 30 20 HCED Cc1nnc(SCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n1CC(N)=O 485296939 VXUWNDBBOVMVAV-MRXNPFEDSA-N 413.507 0.573 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2=O)cc1 490273966 SELGEGVXUNLEQY-MRXNPFEDSA-N 403.398 0.619 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCO1 490526216 GUOHKCJAACBYMN-ZWNOBZJWSA-N 408.249 0.680 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1 502870227 KFGUXFGFTRZXOI-ZDUSSCGKSA-N 413.400 0.658 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(-n2nnnc2O)cc1 507870905 CEEQFJJGSPGFCK-LLVKDONJSA-N 413.419 0.545 30 20 HCED O=C(NCC#CCO)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 510065077 HNVIKWPESMCPNT-UHFFFAOYSA-N 408.476 0.361 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 513982556 FLHBQYNJLZNYLN-ORAYPTAESA-N 417.491 0.465 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCO4)c(=O)n2C)CC1 515687455 SBNJQUIKXJUSER-UHFFFAOYSA-N 424.526 0.049 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 518803746 DVTHNTNNJCTKOH-UHFFFAOYSA-N 420.473 0.708 30 20 HCED CCNC(=O)c1cccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 519491219 HRJABSLKVWWHEW-UHFFFAOYSA-N 423.473 0.941 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 519704582 FEFHOTPEHODRKI-UHFFFAOYSA-N 405.458 0.883 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 523466577 WVACVYKTGZMALM-UHFFFAOYSA-N 402.432 0.104 30 20 HCED CCCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 533060445 FOTJITBLXHLOHS-INIZCTEOSA-N 423.539 0.793 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@H](C)C#N)c2)CC1 540314538 YGQZBQKUORXFPK-CQSZACIVSA-N 407.496 0.227 30 20 HCED CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542998852 WFSCGHBFCNTKCG-OAHLLOKOSA-N 414.441 0.737 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)c1ccc(Br)o1 548105569 BESDMBBNFYXYCF-UHFFFAOYSA-N 409.244 1.040 30 20 HCED COCCN(C(=O)CN1CCC(C#N)(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 548798064 MKBMGBQGQMVAQK-KRWDZBQOSA-N 420.535 0.601 30 20 HCED CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)N1CCc3ccc(C#N)cc31)C2 551738892 PZZCAFCJWDOXOT-UHFFFAOYSA-N 424.482 0.940 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(OC)cc2)CC1 556217333 SEBSRYBFRTZIAB-INIZCTEOSA-N 418.494 0.025 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@@H](C)O1 557520171 YSCKVPOJDWQJHF-BETUJISGSA-N 424.483 0.525 30 20 HCED CNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 557796292 OKWMORVFUADCEH-UHFFFAOYSA-N 401.286 0.373 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 560051787 SJUGJCPGEFFYFM-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 566877418 KMBUFXORZYNRST-SFHVURJKSA-N 420.473 0.947 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 573470513 PPVWWDFRSPKYQG-QGZVFWFLSA-N 419.570 0.345 30 20 HCED CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 588766952 QWWIMAMWXGHQEI-IBGZPJMESA-N 404.474 0.905 30 20 HCED Cc1c(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 609847936 NSUSAMCJQPZYFN-MRXNPFEDSA-N 409.468 0.857 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 610134009 IGTRTNRJQMCOQV-UHFFFAOYSA-N 406.489 0.957 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)C1=O 726042131 DREJMPIETVELEY-UHFFFAOYSA-N 416.390 0.472 30 20 HCED CN1CCC[C@@H](N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)C1 738214673 QEMMXCOLQVNQQL-HXUWFJFHSA-N 410.522 0.992 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2scnc2C)c1=O 743728548 LXTJSTNVBGYEKI-UHFFFAOYSA-N 418.544 0.907 30 20 HCED Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)OCCn3ncc(C#N)c3N)cc12 744110725 DYBXUEGCKUMFKJ-SNVBAGLBSA-N 401.452 0.955 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746154666 OFFLINGBGIZICS-ISLYRVAYSA-N 421.498 0.572 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc1C#N 752378845 NWPXOVJHEUXUMM-UHFFFAOYSA-N 411.440 0.121 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc21 754387895 XAQIZHWKNKSPAM-LBPRGKRZSA-N 415.454 0.973 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)C2=O)cc1 754707503 QHVPHCWESRFNPA-GBESFXJTSA-N 419.441 0.746 30 20 HCED Cn1cc(C(N)=O)cc1C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 756239706 CTYCZYWUQSVPTN-INIZCTEOSA-N 424.417 0.703 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 758771271 NOYSHEWAJIARNH-UKRRQHHQSA-N 402.455 0.607 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(CC=C)Cc2cccs2)CC1 761030022 DDCBTQRRGRWKRN-MRXNPFEDSA-N 410.565 0.736 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cnn(CC)c1 763460353 HRHTXFZNGFTNLT-UHFFFAOYSA-N 408.487 0.259 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)OC[C@@H]4C3)CC2)cc1 764146631 JARKOMLQQFVXQD-INIZCTEOSA-N 418.475 0.622 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 765871538 MCBYUHKCRPJYEV-HNNXBMFYSA-N 406.512 0.926 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)Cc1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 766908648 CKPGANVWYSYIHL-GFCCVEGCSA-N 422.488 0.545 30 20 HCED CCC[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1CCOC 767124200 XPHFHWSWNFPLKY-OAHLLOKOSA-N 408.524 0.684 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NC[C@@H]1CCCO1 767633415 ASQXPYGJYYBJAP-GUTXKFCHSA-N 409.464 0.452 30 20 HCED COC[C@H](C)NC(=O)Cc1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 771061516 ZMZACABCEXRCLW-LBPRGKRZSA-N 421.479 0.435 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 773058608 SMBHWPNXNCFEDS-SJORKVTESA-N 414.505 0.167 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc(Br)cc2C)CC1 774291894 STGXAXBYCIEVDV-UHFFFAOYSA-N 424.299 0.537 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1 783453837 UGLKKSVVAWVQCT-UHFFFAOYSA-N 414.443 0.502 30 20 HCED CNC(=O)CNC(=S)NN=C(C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 783842346 KRNYEIPTVGIFQD-HNNXBMFYSA-N 407.496 0.610 30 20 HCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)C1 784556907 KTZXLUGLZPAMND-HZPDHXFCSA-N 419.551 0.832 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCCC1 785136207 VVAFBSWGDPDNLP-IYBDPMFKSA-N 415.494 0.862 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)c1 786443220 UNLYPTDMPWRYNP-LUJYGJGBSA-N 421.454 0.902 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@H]1CCCO1 787199583 PYJZEXCXCMMBSP-UOVPBQLFSA-N 400.479 0.608 30 20 HCED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CC1 793197439 QKNRJVKKFKQWNP-ZDUSSCGKSA-N 416.500 0.402 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@H]1CCCO1 793904892 YIXFYNQARKGQPT-ZWKOTPCHSA-N 421.519 0.629 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 800045570 OUNQTCKDIYGIAS-OAHLLOKOSA-N 403.549 0.807 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCCC4(C3)OCCO4)C2=O)cc1 808169685 DLNJDDGNSZYTRZ-KRWDZBQOSA-N 412.446 0.535 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2cccc(C#N)n2)c(N)n(Cc2ccccc2)c1=O 811252743 YOSAXXGUYOJCTE-UHFFFAOYSA-N 419.397 0.484 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc(C#N)cc(N(C)C)c2)CC1 814571991 IBZWYIIAIOPKOL-UHFFFAOYSA-N 401.467 0.013 30 20 HCED CC#CCN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 819249323 IRGUAAOUUOEYQR-GSPCDJLXSA-N 412.533 0.862 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)nc2O)cc1 916440689 NJIIEAPXMQQSGB-XSFVSMFZSA-N 405.436 0.551 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)[C@@H](C#N)C(=O)NC)n2C 917001728 BYLLBZFQUNKISL-CQSZACIVSA-N 419.507 0.991 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 919133277 MKEARCWMODMXEL-ZIAGYGMSSA-N 411.480 0.511 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 919989727 RVWHQWIDPBWYOC-DNVCBOLYSA-N 405.476 0.655 30 20 HCED CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1148875332 SPQSYEDWTIIWLH-KBPBESRZSA-N 403.439 0.821 30 20 HCED Cn1cnn(CCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1=O 1165560027 UBBQYFXHWQQRNJ-UHFFFAOYSA-N 406.450 0.582 30 20 HCED CC(C)NC1(CO)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1298204020 RWZWUWIGBLYIIU-HNNXBMFYSA-N 408.524 0.577 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(=O)nc1O 1449104516 PQZHHQZOZLQOCL-GFCCVEGCSA-N 415.372 0.660 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccn(C)n1 1510175877 NYNSSSOEZINURL-CYBMUJFWSA-N 406.516 0.800 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1538988585 JHQKYKMQLRLYQR-UHFFFAOYSA-N 409.284 0.932 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(CCc3ccncc3)CC2)cc1 1557799347 SIPGKMQSRCWPDK-UHFFFAOYSA-N 413.503 0.618 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1 1563202448 KHESWALCXZPPHM-UHFFFAOYSA-N 421.451 0.958 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1 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0.859 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H]4F)C3)C2)cc1 1829907221 BEQSOTCHDAINDK-BBTUJRGHSA-N 401.438 0.915 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1831421776 QZENADJHMZBJLO-OXQOHEQNSA-N 406.483 0.390 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832131261 IYJQNSUWMZHWOK-WWMYMODYSA-N 417.437 0.751 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)C1 1832419452 MOUAKCZUKKEKEA-QFIPXVFZSA-N 419.522 0.812 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834352732 LSTCLSLENGOMRZ-MGPUTAFESA-N 407.442 0.882 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1834606845 IYAJXQMIKDUBNB-UHFFFAOYSA-N 413.482 0.064 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]c(C5CC5)c4F)C3)C2)CC1 1835341158 QUWSPBWXVNRPKB-HXUWFJFHSA-N 417.441 0.800 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cccc1C=O 1835342087 JZGKLVXVZIYJEP-KKSFZXQISA-N 414.462 0.622 30 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O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1840951561 NNMXRXBKQTZBPR-RBUKOAKNSA-N 412.389 0.276 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cccc(=O)n4O)C3)c2c1 1842212175 LEGXLYDOINJNEB-UHFFFAOYSA-N 418.413 0.964 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842840205 XOIMPOJTHBZBPY-ORTNRGLGSA-N 408.499 0.441 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)c(Cl)c1 1842947047 UEWNPMXYKSNKOM-OAHLLOKOSA-N 403.870 0.621 30 20 HCED O=C(NCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)c1cccnc1 1844281960 MEBDZMFSKNBLCT-UHFFFAOYSA-N 424.501 0.713 30 20 HCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845209496 MUNLFMMMFKYAKZ-MRXNPFEDSA-N 417.462 0.372 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC(C)=O)OC(C)=O 1847806957 GZOMYKKPEVJGSZ-OKZBNKHCSA-N 410.467 0.666 30 20 HCED C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2cc(C#N)ccn2)CC1 29451098 WVEHPIPIBIOQAQ-KRWDZBQOSA-N 406.494 0.603 30 20 HCED COCCN(CC(=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)Cc1ccc(C#N)cc1 63754047 RGTYXISIYOUVQI-UHFFFAOYSA-N 413.478 0.978 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/Cc2ccc(N3CCN(C)CC3)nc2)CC1 303769216 AVPOXFOCVZIJJZ-UHFFFAOYSA-N 403.531 0.859 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)n2)c1 409466055 RFDGVRVHHUMDMR-UHFFFAOYSA-N 402.414 0.889 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCO1 410401682 NPXQUVSNSWNSQV-HIFRSBDPSA-N 418.313 0.659 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 430396266 SQVKQVHJZFUJPX-UNEWFSDZSA-N 409.508 0.951 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 431304236 FGHYFYNLHSFXEW-UHFFFAOYSA-N 421.928 0.884 30 20 HCED COC(=O)C[C@H]1CN(c2ccc(C#N)c(N3CCO[C@H](CC(=O)OC)C3)n2)CCO1 436393698 VBPPWHMIRGDZPH-JKSUJKDBSA-N 418.450 0.490 30 20 HCED CC[C@H](NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)[C@@H](O)C(F)(F)F 460721374 WKUDCFFIFBWTIW-WCQYABFASA-N 410.356 1.204 30 20 HCED COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 463120959 UJGGAQORWOLUPM-JOYOIKCWSA-N 407.370 0.835 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3cccc(OCC(N)=O)c3)CC2)c1C#N 472090696 PMMBPHWYBGOHAP-UHFFFAOYSA-N 411.466 0.496 30 20 HCED Cc1nn(C)c(N2CCN([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC2)c1C#N 472155874 MGLVAPFJRDVJQI-LLVKDONJSA-N 401.393 0.499 30 20 HCED Cc1nn(C)c(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)c1C#N 472436192 HXMADEZZLLNFBH-UHFFFAOYSA-N 405.440 0.482 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(C(=O)N(C)C)cc3)CC2)c1C#N 472861580 WPJJASMXBDVTFS-UHFFFAOYSA-N 423.477 0.589 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(CCn3cncn3)CC2)c1 476413616 LCFNNHXCYRSSNJ-IBGZPJMESA-N 407.478 0.485 30 20 HCED C[C@@H](NC(=O)C(C)(C)Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 481282018 XIUMGHQTCSZDCV-HIFRSBDPSA-N 407.492 0.771 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 482185763 STEUJCZTJHOAHV-WBMJQRKESA-N 419.484 0.870 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 483919434 SZPBRTYPWVNADV-SFHVURJKSA-N 407.478 0.705 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c(F)c1 484965012 TYWSBRHVYDGSDP-UHFFFAOYSA-N 405.407 0.718 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCO[C@H](COCC3CC3)C2)cn1 486730832 YPFQZFFXZLCLKS-KRWDZBQOSA-N 410.434 0.731 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 491073692 DMBUWBTZHBZLKG-UHFFFAOYSA-N 409.830 0.633 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1cc(Cl)ccc1C#N 497568700 XMSJEMTYAMFMSC-HNNXBMFYSA-N 408.842 0.530 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 502236146 XGIAEEIDBCQOIM-MOPGFXCFSA-N 411.506 0.718 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 506591069 NOXAKHQOLLXDOV-BZSNNMDCSA-N 418.519 0.883 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2C(=O)NC[C@@H]2C1 508474296 SPFUHYVAUUNKRQ-CYBMUJFWSA-N 406.450 0.592 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 510316855 AQKISYHHZXEEPA-AWEZNQCLSA-N 409.487 0.810 30 20 HCED Cn1cc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C(F)(F)F)n1 512510680 XDBNTGHREMYRGF-UHFFFAOYSA-N 421.383 0.671 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513010268 FRGMVTDRDINFJW-UHFFFAOYSA-N 422.442 0.266 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H](C)C#N 513374723 CKYLACKVQWWICL-HNNXBMFYSA-N 423.495 0.909 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)ccc1Cl 516423305 KWLYORUKGVKFTN-UHFFFAOYSA-N 419.869 0.153 30 20 HCED CN(CC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 516604623 XNILJZBVMJKDAU-GFCCVEGCSA-N 406.386 0.600 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)nc1 517336799 GWRPEPPYHBAOMM-UHFFFAOYSA-N 408.418 0.105 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 523607523 GGHUKOHNJYYYPM-FUHWJXTLSA-N 420.535 0.890 30 20 HCED N#Cc1ccc(SCC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 524189221 RTLXYKPXEGJSQC-UHFFFAOYSA-N 402.476 0.180 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 524281123 HSRLBJIPUYVJRC-UHFFFAOYSA-N 424.507 0.391 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(N)=O 526038193 DQBLPZSGWCLTRI-UHFFFAOYSA-N 413.499 0.912 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536975805 SYYMHXRLIGKUCA-OAHLLOKOSA-N 403.531 0.838 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 540961961 LUHFMXXZQKTTLO-HOTGVXAUSA-N 405.480 0.387 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(C)c3C)c(=O)n2C)CC1 561303014 FGNYIYSMQBCTDO-UHFFFAOYSA-N 410.543 0.731 30 20 HCED COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 570892113 IMKVNOBXLALNBA-KRWDZBQOSA-N 401.444 0.910 30 20 HCED CN(C[C@H](O)COCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 576991173 XXPMGDIJOORDKM-SFHVURJKSA-N 417.487 0.873 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 579697107 YDPCRVUUHQDFFH-AWEZNQCLSA-N 417.441 0.027 30 20 HCED COc1cccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 586840662 TVEZWSKQKFHXIW-QGZVFWFLSA-N 407.430 0.890 30 20 HCED COc1ccc(OC)c(CN(CCO)C(=O)C(=O)NC2CCN(CC#N)CC2)c1 588127914 TXDSDQLORCLZLI-UHFFFAOYSA-N 404.467 0.129 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 588208174 ANJZBFMEZDQNTI-IBGZPJMESA-N 423.517 0.720 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CCN2C1=O 588293914 ZRAGTAGRCVFPNC-SWLSCSKDSA-N 419.463 0.873 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccnn2-c2ccncc2)CC1 590284811 GVUFZVKLPYBBCG-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 590898143 XNUJDMAVISDHOB-AWEZNQCLSA-N 413.499 0.759 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 609214064 OWUHTOVXRPGPDQ-OALUTQOASA-N 405.543 0.394 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CCN2C1=O 610776533 SYFHJKMZQCQDIU-GFCCVEGCSA-N 421.360 0.593 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC[C@](C)(C#N)C2)cc1 612367241 CHXJFZJWWAKCRE-DKSSEZFCSA-N 407.492 0.971 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 684781327 IPFUUQLEKLVBDT-LTDCPUDJSA-N 424.519 0.917 30 20 HCED CC1(C)COCCN1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 728282894 DKQIKQCNYABHAH-UHFFFAOYSA-N 408.524 0.732 30 20 HCED CN(CCCNC(=O)COC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)S(C)(=O)=O 728350168 ZTRKCTRIQVVKTK-KRWDZBQOSA-N 422.507 0.468 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 730103499 FRVREWQWAPRHFA-HNNXBMFYSA-N 419.532 0.622 30 20 HCED CCOc1cc(C=NNC(=S)NCC(=O)NC)ccc1O[C@@H](C)C(=O)N(C)C 731929071 LXEXTQJCUVDKTJ-LBPRGKRZSA-N 409.512 0.485 30 20 HCED C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 736015767 UEFGPHCPBAKBON-CYBMUJFWSA-N 404.485 0.891 30 20 HCED C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 747117658 GRBLQCCAMSGJBE-OLZOCXBDSA-N 401.485 0.455 30 20 HCED C#CCN1CCN(C(=O)CNc2ccccc2OCC(=O)N2CCOCC2)CC1 754314668 PFVBNWLBKQORLM-UHFFFAOYSA-N 400.479 0.114 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 754379266 TVSCPGCLIBHDPY-GFCCVEGCSA-N 411.484 0.850 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cc(C)cc2C)c1=O 758052941 UDWQIMLZCDVEHN-UHFFFAOYSA-N 409.511 0.734 30 20 HCED N#CCCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 776121191 AMNRWPVJZRBGDV-UHFFFAOYSA-N 417.484 0.976 30 20 HCED CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 778969064 YMPOSLKQYYKSJW-JIVYGXRASA-N 422.507 0.811 30 20 HCED COC(=O)C1(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 782061629 CJCHWWOFSUODOP-CYBMUJFWSA-N 423.491 0.590 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCc1ccc(C#N)cn1 782131361 YNIUWPQNAPTUNS-UHFFFAOYSA-N 413.459 0.409 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787747849 RTXPWNSCXKWNSB-CHWSQXEVSA-N 404.448 0.719 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1)[C@@H]1CCCO1 789744926 VBGOJCBRHPLXCD-HOCLYGCPSA-N 412.450 0.582 30 20 HCED CC(=O)N[C@@](C)(C(=O)OCC(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 797515396 QZOGUULAJOOCQK-GOSISDBHSA-N 421.475 0.547 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(Cc3ccccc3)CC2)c1=O 798227199 LUDLCKDJRLWOSP-UHFFFAOYSA-N 411.506 0.709 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 800080145 RFDBQPWNGWWYIL-IHRRRGAJSA-N 404.489 0.070 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 800660112 HMIRVVXOVNCQOW-MCIONIFRSA-N 408.480 0.750 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc(C#N)nc4)CC3)CC2)o1 801552563 OJJPHIUTPKCWQT-UHFFFAOYSA-N 420.477 0.592 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)COCc3nnc(C)s3)CC2)o1 803727397 OBUBMYOEILTMSM-UHFFFAOYSA-N 420.451 0.423 30 20 HCED CCOC(=O)C[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)=O 805480367 PLYKCVMHZNEGST-RISCZKNCSA-N 410.448 0.958 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 807300116 ZNJITPCHNGZHFQ-KBPBESRZSA-N 408.480 0.798 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 808958058 KBFINQLKQFPLGO-UHFFFAOYSA-N 417.443 0.610 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1)[C@@H]1CCCO1 809307905 HYNMXAHAUZEZDS-IRXDYDNUSA-N 414.462 0.204 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 815509170 WPRBSDJIPOJDPC-UHFFFAOYSA-N 416.482 0.951 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 815719110 VJLMUTLLNBLMLU-UHFFFAOYSA-N 403.406 0.216 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnccc1=O 996920822 FVMPORBALLUSRQ-WDHIOAMHSA-N 400.479 0.863 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(C(N)=O)cn1C 996921744 PQFMNTANIUMROA-IMPIEMTGSA-N 400.479 0.967 30 20 HCED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)nn1 1003048902 MQTFEXSVZMAWDO-YCCFLXJFSA-N 400.483 0.618 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)NC(C)(C)C1=O 1006387071 YXQYARKKBPAFCF-ZSAUSMIDSA-N 404.467 0.156 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Br)c(C#N)c2)n(C)c1=O 1129356406 LJNKUOOMODZBES-UHFFFAOYSA-N 417.223 0.707 30 20 HCED COCC(COC)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1142165899 OVDLDFVYYSSEMT-HNNXBMFYSA-N 424.523 0.031 30 20 HCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 1263375118 GJTKKEWNHYYPLT-HNNXBMFYSA-N 414.470 0.376 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCOCC1 1288773539 OUFJBGKFDVWEKT-GJZGRUSLSA-N 413.548 0.349 30 20 HCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC(=O)N1C 1305154714 LUPARRXPFTUWOJ-CYBMUJFWSA-N 402.480 0.528 30 20 HCED CSCC[C@@H](NC(=O)c1ccco1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1327641575 TVPFEMSXTFNRJO-LOPKLFAVSA-N 406.464 0.774 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1510110292 NRYNOVCZAFLOQI-BEFAXECRSA-N 407.494 0.827 30 20 HCED CCCNC(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1515080222 WFIQWBDULOCAHD-KXBFYZLASA-N 406.487 0.575 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1593887026 WLSIYAHYKMXUOX-OCCSQVGLSA-N 401.920 0.990 30 20 HCED Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1618495755 STNNXNOCVRCNMG-UHFFFAOYSA-N 407.438 0.232 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)CC1 1657873921 VJKSPYOZOGBUAM-ZDUSSCGKSA-N 409.468 0.862 30 20 HCED CC1(C#N)CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)CC1 1692849033 YFQYRSGCYWQBSX-UHFFFAOYSA-N 416.511 0.901 30 20 HCED CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)CC 1694126368 FIABJTLDWRBQKG-HOCLYGCPSA-N 409.560 0.907 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCn1cccn1 1706621669 FUIOEWDTPKKEIN-QGZVFWFLSA-N 411.514 0.880 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1706822554 PIBCZHBCGAYQFP-INIZCTEOSA-N 409.494 0.721 30 20 HCED 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N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)c1Cl 1841961016 IKKOQPXZLNFTRA-ZDUSSCGKSA-N 415.837 0.627 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1nc3ncccn3n1)C2 1846979234 UBNNIHUULHXQOL-UHFFFAOYSA-N 417.429 0.892 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(OC)OC 1847698781 YZILDDHYSLHSLG-KKUMJFAQSA-N 409.483 0.724 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1848326430 MVHVNMGONRGNQK-ULQDDVLXSA-N 421.519 0.874 30 20 HCED CCOC#C[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)[C@H]1N[C@@H](C(=O)O)C(C)(C)S1 2048529308 FUPMDIHCHGVAAL-IVSAIRAKSA-N 407.492 0.769 30 20 HCED CC(=O)[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 10911457 ILUVSVPGYOXOGN-LJQANCHMSA-N 406.508 0.594 30 20 HCED COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCNc2ncccc2C#N)c1 107658816 KEGCLFQRLAFKCZ-UHFFFAOYSA-N 418.431 0.917 30 20 HCED COC[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 142359215 DNVWZMVXHOAMDB-QIAIEURZSA-N 410.496 0.837 30 20 HCED CC[C@H](CCNS(=O)(=O)N(C)C[C@@H](C)C#N)NS(=O)(=O)N(C)C[C@@H](C)C#N 409566999 HHBYFLDLVFEACA-SOUVJXGZSA-N 422.577 0.007 30 20 HCED C=CCN1CC[C@H](N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1=O 410341311 VNBVIPSEHLEXNA-KRWDZBQOSA-N 421.519 0.941 30 20 HCED C[C@H]1C(=O)N(C)CCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 426137776 GDHHJNIGBSLYNC-AWEZNQCLSA-N 412.450 0.617 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)cn1 430221376 TWONEKIVQXVWKX-QGZVFWFLSA-N 409.450 0.401 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 445959447 IRSFUWPPXODRJD-DOTOQJQBSA-N 416.507 0.323 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1=O 466499071 JIWYOUQPUHUHJM-INIZCTEOSA-N 407.492 0.566 30 20 HCED C[C@@H](O)CN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)CO 471028991 DSOKHQKRGBSACN-HUUCEWRRSA-N 416.478 0.798 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cc(C#N)cs2)c1=O 481985163 WVUBTILQKLHPQX-ZDUSSCGKSA-N 414.512 0.661 30 20 HCED CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CC(C)(C#N)C2)c(O)nc1=O 482616549 LRIYFRBRPQUTPY-UHFFFAOYSA-N 420.470 0.073 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](CO)[C@H]3CCOC3)CC2)cc1 482686565 WGOIHQRAXULZON-ZWKOTPCHSA-N 421.519 0.720 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)C1 488607241 FVRDQFAKPJONOM-INIZCTEOSA-N 422.507 0.704 30 20 HCED CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 508325831 OSZWJJQZNXWNKE-UHFFFAOYSA-N 410.482 0.042 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 508888338 NDDXZGODVYKGMC-HNNXBMFYSA-N 405.480 0.486 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 511355919 BFMWUOOZYYTPFD-UHFFFAOYSA-N 424.508 0.303 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)C(C)(C)CN(C)C)CC2)c1C#N 513468780 KIFFSAXEICFRFB-OAHLLOKOSA-N 403.531 0.341 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)cc1C 518201352 WWHHXWURTLJIML-UHFFFAOYSA-N 406.349 0.988 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 520496088 XWVCYMXZWZOIFD-UHFFFAOYSA-N 405.436 0.804 30 20 HCED COC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 524811935 VBIMXKGZODOHNV-INIZCTEOSA-N 406.508 0.359 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 532217916 CTZRPRHHUJKWEP-AEGPPILISA-N 413.521 0.697 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 532702313 WTCZTEXPLQDCGO-KRWDZBQOSA-N 413.522 0.984 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)N2CCSCC2)c1C 537489117 GOWRCXWAYSSDDX-UHFFFAOYSA-N 404.492 0.541 30 20 HCED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 540868933 AXRVILDUVFUUDW-UHFFFAOYSA-N 401.463 0.961 30 20 HCED CCS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 554242445 DEFWGPMVKJTDJU-UHFFFAOYSA-N 417.491 1.558 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 561722487 NJBGHYLNCPOMPT-KRWDZBQOSA-N 415.537 0.760 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)C2)nc1 590272851 LKEWSTBSQSXUCX-DLBZAZTESA-N 410.434 0.947 30 20 HCED CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 604168285 BDBMPMVMGFFMJW-UHFFFAOYSA-N 408.480 0.848 30 20 HCED C[C@H](C#N)CN(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 609147801 IXOZWXZZIYJUAA-OCCSQVGLSA-N 414.509 0.775 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cccc(C#N)c2)c1 609801954 WTAFULPXCYMBDL-UHFFFAOYSA-N 409.489 0.961 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610586184 SGKDYYIJVXRQFQ-GOSISDBHSA-N 402.499 0.257 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 610596887 SUACZLSPCDGEJG-QRWLVFNGSA-N 411.466 0.505 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 610711999 HPPQDEKDPMAFBF-QGZVFWFLSA-N 412.487 0.490 30 20 HCED COCCn1cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 610971718 RKPARYQFVWUCKO-UHFFFAOYSA-N 406.468 0.777 30 20 HCED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc1 725914426 UKMHOOSINAPSRR-UHFFFAOYSA-N 416.415 0.982 30 20 HCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733276161 QIDBJBBLPJDVNP-VXGBXAGGSA-N 401.510 0.395 30 20 HCED O=C(CCNC(=O)N1CCc2ccccc2C1)NCCN/C(O)=C1/N=CC=CC1=O 735116465 MKEFQNDACRYOOA-VXPUYCOJSA-N 411.462 0.787 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 744037390 VEAKILSTWBHYDL-JERHATOGSA-N 412.446 0.831 30 20 HCED N#Cc1cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 747225511 HWCTYKVEQUYEAX-GFCCVEGCSA-N 404.901 0.246 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)c(F)c1 751149135 CMMOLEVDVSFUTN-UHFFFAOYSA-N 415.450 0.844 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)CC1 751982216 INAUQOLCSOREJO-GOSISDBHSA-N 420.487 0.703 30 20 HCED C[C@H](C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cccn1 754387554 VIJKHXVOJGIBLV-HUUCEWRRSA-N 404.471 0.874 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 754939004 RSGVHYSKFHXTSY-UHFFFAOYSA-N 406.464 0.747 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(/C=C/C)cc2OC)CC1 761031052 MKFADEVWYXWXDL-MJICGBHWSA-N 423.535 0.553 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC)c2cccnc12)[C@H]1CCS(=O)(=O)C1 783479588 LAVRQPMORJLDFP-ZDUSSCGKSA-N 401.444 0.831 30 20 HCED C=CCOc1cccnc1C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 785962468 AKSDBNZUODLXHH-UHFFFAOYSA-N 401.400 0.991 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 787754021 ABUKQOVOSLOYRD-UHFFFAOYSA-N 424.421 0.133 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)cc2OCCOC)CC1 788505410 XWSXXJXPEIHPCC-UHFFFAOYSA-N 403.479 0.618 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2ccc(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 793044047 YLFPITDWYADVBA-QGZVFWFLSA-N 400.460 0.768 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](CC(N)=O)c1ccccc1 794282761 UHMUVFZEVWXUTH-OAHLLOKOSA-N 400.460 0.800 30 20 HCED Cc1oc(C#N)cc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 797888095 YFJYDEBKHSGKCW-KBPBESRZSA-N 410.448 0.811 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)c2F)c1=O 799939462 JIWJAYBEGRQFAL-UHFFFAOYSA-N 413.474 0.966 30 20 HCED Cc1ccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)c(N2CCOCC2)c1 807858535 TXVMJHKUUYYKNN-UHFFFAOYSA-N 422.489 0.943 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCCO1 808797278 KZIDEFPGZGYYOA-IRXDYDNUSA-N 405.476 0.140 30 20 HCED CN1CCN(c2ncc(C=NNc3ccc(S(=O)(=O)N(C)C)cc3)cn2)CC1 812230914 FIXSVWOCOGBILO-UHFFFAOYSA-N 403.512 0.925 30 20 HCED COC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 815813131 ATBFWYQSKGZHQX-ZDHNHOGNSA-N 408.480 0.685 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)c1 915767375 BKTHYMGHONBVLB-UHFFFAOYSA-N 402.432 0.752 30 20 HCED CN(CC(N)=O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918446820 XGJOEHOHPGYEKT-LTGZKZEYSA-N 423.495 0.162 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@H]21 976571181 BUDOLECFZKNOQQ-PWSANPOYSA-N 404.507 0.982 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCOCC2)CC1 1140533852 LLCUGQAPGURLHX-FUHWJXTLSA-N 420.535 0.938 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 1263375528 RNGIOAGIQJXZIW-JGGQBBKZSA-N 419.459 0.378 30 20 HCED N#Cc1cn(CC(=O)NC[C@@H](CO)Cc2ccccc2Br)c(=O)nc1O 1296385136 WOVTXKZCCQFQCQ-NSHDSACASA-N 421.251 0.550 30 20 HCED COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)OC 1315795917 USOLCZDZVUAYHL-INIZCTEOSA-N 405.480 0.713 30 20 HCED CC(=O)N1CCC(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318156506 JTHPCRXBDJWPNI-INIZCTEOSA-N 412.446 0.581 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](CO)CC1CCOCC1 1320809835 XGPQRJFJZJOOQS-WMLDXEAASA-N 409.508 0.766 30 20 HCED C[C@@H](CC(=O)N1CCC2(CC1)CNC(=O)N2C)/N=C1/NS(=O)(=O)c2ccccc21 1452030805 NQULTOCDCNDYIQ-ZDUSSCGKSA-N 419.507 0.520 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1475466801 NPEIBSVGZWKEGX-UHFFFAOYSA-N 421.504 0.294 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1475528629 SZDGVGNOHOFVPH-XJKSGUPXSA-N 401.510 0.942 30 20 HCED C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1512230591 ZLGOAKWSAKSSKY-BRWVUGGUSA-N 422.555 0.641 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1589394766 OKTXLHGVULDFLZ-VXGBXAGGSA-N 409.288 0.949 30 20 HCED COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1697939035 YWMHIGDOHSJIKA-KGLIPLIRSA-N 412.516 0.434 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829601 MOQNHWZVTUHCME-JLTOFOAXSA-N 414.466 0.141 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777977646 SXEWYEKRILOZRC-JXHRLWIKSA-N 424.501 0.979 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1778980411 UNAXNKAPSIWGTB-NPPFBWRTSA-N 422.570 0.025 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014825 KECQZBVGFHDNAS-JRCPDGGCSA-N 405.543 0.772 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C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840174879 DWDZZMTUHMTZQE-NRFANRHFSA-N 412.446 0.982 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CCc5nc[nH]c5C4)CCO3)C2)CC1 1840362076 FPKAHWBMRXDGRW-BTYIYWSLSA-N 413.478 0.275 30 20 HCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn1 1840465605 IIDASMBRJMEKFO-JOCHJYFZSA-N 423.473 0.604 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840802053 VYJKTZFBYWFZFL-FQEVSTJZSA-N 424.498 0.661 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)on1 1840813308 RRUQLNAACGYLNS-HXUWFJFHSA-N 402.451 0.676 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1840843105 VCYOWWILMXHWJB-FQEVSTJZSA-N 421.881 0.984 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(C)=O)C2)C1 1840908943 KFHMVDKAIKIVCB-OXJNMPFZSA-N 409.483 0.379 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c1 1841258312 GZXTUTSVQUAUHT-UHFFFAOYSA-N 409.446 0.246 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841968605 HMLLEKXRIMDVJN-UHFFFAOYSA-N 400.479 0.998 30 20 HCED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1846010816 QEBIUMCROLMMHO-UHFFFAOYSA-N 405.467 0.132 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 409547389 IQXATWPKJBCPCL-CQSZACIVSA-N 400.526 0.766 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 409565153 IIAMWEVGGKRLOJ-HNNXBMFYSA-N 401.577 0.739 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCS1(=O)=O 429884897 LWOADGRSVNUXHF-GFCCVEGCSA-N 419.438 0.857 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 437025029 RBEIXGJGGFTUPI-KXBFYZLASA-N 417.462 0.554 30 20 HCED CCn1ncc(C#N)c1NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 438238052 LVCCZFUXCFIBDP-QGZVFWFLSA-N 418.435 0.639 30 20 HCED Cn1cc(S(=O)(=O)NCCN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 439020300 NVZJIBXMMZIUNP-UHFFFAOYSA-N 416.507 0.921 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(COC)c2)c1=O 440379397 HWQNSMIADJPSNH-UHFFFAOYSA-N 415.515 0.732 30 20 HCED C[S@@](=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1F 446528638 GRZYBIHVRQBJEZ-MUUNZHRXSA-N 410.471 0.576 30 20 HCED COc1ncc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1C(N)=O 475249358 VYYSWBUUFROZEI-MRXNPFEDSA-N 422.445 0.364 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1Cc1ccon1 480928132 BHXSMTQLYZEYBF-UHFFFAOYSA-N 415.500 0.678 30 20 HCED C[C@H]1OCC[C@H]1N(CCO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 485193104 QDBZCHUGNCZRKQ-IUODEOHRSA-N 401.398 0.820 30 20 HCED CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)C(F)(F)F 489892762 YBQWCGKBJNSUBM-NSHDSACASA-N 403.379 0.798 30 20 HCED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 490121415 VNHJEGIRFZPOHN-LLVKDONJSA-N 422.326 0.975 30 20 HCED CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC 497947270 XUJKIWSNRMGMCM-AWEZNQCLSA-N 415.537 0.850 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)cc1 499035266 YAHJNIRSCJLINP-UHFFFAOYSA-N 416.459 0.618 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2N)c1 504058283 KEBMRXJCQLUKGY-UHFFFAOYSA-N 410.477 0.633 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 506471920 XCILEJJSVUCNRJ-OAHLLOKOSA-N 423.491 0.948 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 510289326 PQSZVCSVNTVXQF-UHFFFAOYSA-N 408.461 0.775 30 20 HCED COc1cc(Br)c(S(=O)(=O)NCCn2cnc(C#N)n2)cc1OC 511367653 RXLKTIAJGVKENL-UHFFFAOYSA-N 416.257 0.908 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccccc1S(N)(=O)=O 513340978 PAPNBNRYBDEZHS-ZDUSSCGKSA-N 415.479 0.416 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2)c1=O 514645468 LYIPWYDUWUSSAV-UHFFFAOYSA-N 410.543 0.987 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(Cl)c(C(N)=O)c3)CC2)c1 517139733 IDNRUUMUIRTZOR-UHFFFAOYSA-N 412.837 0.993 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 521076506 UYAPOGHLPQEOLY-WBVHZDCISA-N 409.508 0.651 30 20 HCED N#CC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCOCC1 522345717 HYWQUOPPQOYFKZ-UHFFFAOYSA-N 409.464 0.705 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 525265746 CGYOJDIJVDMYBG-UHFFFAOYSA-N 419.466 0.927 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1C 534931687 JGJJSEXYFAWZPH-OAHLLOKOSA-N 415.475 0.993 30 20 HCED CCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 539451699 RVAQYODQGMJONB-HZPDHXFCSA-N 410.565 0.966 30 20 HCED Cn1cc(S(=O)(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 540697368 XRYOLQJJYGUXIW-NSHDSACASA-N 402.354 0.646 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)O 543789151 YFAGTQPDDURCBP-HNNXBMFYSA-N 402.494 0.862 30 20 HCED CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)Nc2ccc(C#N)cn2)CC1 550902492 PSYDABKOQXDZPH-UHFFFAOYSA-N 400.483 0.635 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 552202362 UCFPGYWPIQREKS-UHFFFAOYSA-N 411.503 0.862 30 20 HCED CC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H](C)S1(=O)=O 553798267 NJRMXGWSTFNSBS-ZFWWWQNUSA-N 413.521 0.835 30 20 HCED COc1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)c1OC 555906288 JBTSXPXUVWXBSH-UHFFFAOYSA-N 423.429 0.894 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NCC#N)nnc12 561394740 IHBRZZXZNVEBTH-UHFFFAOYSA-N 411.447 0.078 30 20 HCED COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1NC(N)=O 570891407 JIMNZNZUQGVSOY-UHFFFAOYSA-N 403.420 0.974 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 576660105 LXDQAPWIWLHERH-NSHDSACASA-N 420.369 0.545 30 20 HCED CNS(=O)(=O)NC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 581342475 RAXVYFKZUCCLQD-UHFFFAOYSA-N 403.512 0.877 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)C2=O)cc1 584298954 AGQRGALQIUIWLZ-IRXDYDNUSA-N 406.446 0.172 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2=O)cc1 588869992 DHBHJRALCIEFSC-LJQANCHMSA-N 406.442 0.584 30 20 HCED CC(C)N[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 588870168 XIEHUTKMPQBJHC-RTBURBONSA-N 411.506 0.764 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 604524558 QJUABCXRPYLUQZ-HNNXBMFYSA-N 413.521 0.918 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 610184578 ZFSKWQSNEFNRQS-UHFFFAOYSA-N 413.482 0.721 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 610797981 RWTCFFBQJMLSRR-HNNXBMFYSA-N 419.507 0.585 30 20 HCED C=C(C)COCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611656475 XOHZLBCWYMMXLR-ZFWWWQNUSA-N 413.452 0.428 30 20 HCED C=CCCOCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 620236703 RGEYFTYYCBJJQA-AWEZNQCLSA-N 402.494 0.683 30 20 HCED COCC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 726300525 LRFGWWYZLAGREF-QIAIEURZSA-N 410.496 0.979 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 726880391 YVJBVSFQYGCNDK-UHFFFAOYSA-N 421.500 0.317 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)OC(C)(C)C)CC2)c1=O 727426637 BYEWMNKEENYSRN-UHFFFAOYSA-N 406.483 0.555 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@H](C)CS(C)(=O)=O)C1=O 733200470 DBFLQZDWIMEDRU-PWSUYJOCSA-N 414.509 0.591 30 20 HCED C#CCNC(=O)COC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 748708144 VKXFFOISEIDFRW-UHFFFAOYSA-N 412.773 0.930 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCC 753359338 PAIQYRIBNIAUJV-UHFFFAOYSA-N 402.476 0.464 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(C)c2C)c1=O 758077814 SYKTXCZJKIXSEM-UHFFFAOYSA-N 409.511 0.816 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)C1 761119179 NLCQRNYLEXUPAC-INIZCTEOSA-N 403.458 0.905 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1CS(N)(=O)=O 769587911 SWIRRQUKTZWFBW-HNNXBMFYSA-N 404.496 0.820 30 20 HCED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 776595441 LYIYTPUSNUIYEL-UHFFFAOYSA-N 404.536 0.160 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)O)CC2)CC1 776670213 MTXHNGDXHYGWMA-UHFFFAOYSA-N 424.454 0.920 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)c1 782134862 HSYSDVAJOSJNCK-UHFFFAOYSA-N 413.434 0.511 30 20 HCED CC(C)CCN(CCC#N)C(=O)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 784455288 LFGCHBPXQHILCV-UHFFFAOYSA-N 410.496 0.620 30 20 HCED CN(Cc1nc(O)c2sccc2n1)C(=O)C(=O)NCCNc1ncccc1C#N 787754119 CCMCHZOGANSGIP-UHFFFAOYSA-N 411.447 0.850 30 20 HCED CCC[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1CCOC 787775795 BEFUISZKBWCFAY-QGZVFWFLSA-N 402.499 0.441 30 20 HCED C#CCn1ccc(CN(CC)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)n1 788330853 JDJFUKKUQZQTEN-QGZVFWFLSA-N 415.475 0.318 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)CC1 792360771 UBJGZPUBFRFNHJ-SFHVURJKSA-N 424.423 0.836 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCN2C(=O)NC3(CCCC3)C2=O)c1 795323823 FHCOJAMJGLRFMV-UHFFFAOYSA-N 420.447 0.244 30 20 HCED C=CCN1CC[C@@H](N(C)Cn2nc(CCC(N)=O)n(C[C@H]3CCCO3)c2=S)C1=O 799142410 SAJYIWPGUYANCN-HUUCEWRRSA-N 422.555 0.687 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CC1 800062743 UBDLXPVXNXULOD-UHFFFAOYSA-N 405.520 0.815 30 20 HCED CN(C)C(=O)CCN1CCC(NC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 805367618 QTYKVKCWJWTWFS-UHFFFAOYSA-N 403.458 0.372 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(C)(C)N3CCOCC3)CC2)o1 805557791 VOWFAUUUDHJZDL-UHFFFAOYSA-N 405.455 0.157 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)c1 808083246 TUEJUTGVADFHOS-OAHLLOKOSA-N 417.491 0.623 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)n1 810405535 CLOBVKZWEQUSRR-UHFFFAOYSA-N 402.418 0.956 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C 810995975 BCSMAJQDSBWRDJ-UHFFFAOYSA-N 402.538 0.916 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCOCCS(C)(=O)=O)CC2)c1C#N 811885247 IBFZBKBOIALIDK-UHFFFAOYSA-N 401.514 0.216 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 816099075 IVMQMAFECOUZPX-DOMZBBRYSA-N 413.434 0.857 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CCCCCC2)c1 816747093 XVHWZWQAYASYBL-UHFFFAOYSA-N 420.535 0.320 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=S)NC[C@H]2CCCO2)CC1 914559183 BRSPQQKZFRTPPP-CQSZACIVSA-N 414.557 0.810 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914654546 VOHAOJBSJIJBCK-LWGWVAHUSA-N 413.496 0.008 30 20 HCED C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1301211480 KWPFBKIFYPGVMC-NSHDSACASA-N 419.438 0.836 30 20 HCED CN1CC[C@](O)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1314929177 VWKPPMPLHUCZMH-WIYYLYMNSA-N 412.494 0.695 30 20 HCED CS(=O)(=O)c1ccc(OCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1322022317 IKZHACHCAMFHJN-ZCXUNETKSA-N 407.448 0.502 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)NC2CC2)C1 1323978195 TWKDIRLXUOOTDK-ZFWWWQNUSA-N 404.492 0.742 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCC(=O)N2CCC(O)CC2)CC1 1440745389 JXZFBUFHKVASMD-UHFFFAOYSA-N 401.467 0.836 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1446598615 RJORAASYYDLSJN-DYVFJYSZSA-N 420.491 0.121 30 20 HCED C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509954407 PGJXSDZREJRDLZ-KGLIPLIRSA-N 406.516 0.698 30 20 HCED CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H]1C 1515905910 PPWNVYPFISOGLQ-OAHLLOKOSA-N 417.539 0.896 30 20 HCED CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)n2cnc(C#N)n2)CC1 1558799034 UFSPGPOMWRZLLP-FUHWJXTLSA-N 409.494 0.602 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1618127504 VWTVPZRYLCBEGK-HOCLYGCPSA-N 404.854 0.928 30 20 HCED Cn1nncc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1618495777 UDJKTXYKRMWYIY-QGZVFWFLSA-N 415.458 0.888 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1642565981 XJPOWZRQEZSBEP-UHFFFAOYSA-N 421.523 0.041 30 20 HCED C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1684623696 RIEKRSIVGHXCCO-QAPCUYQASA-N 410.478 0.888 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1706075148 JYGOFXLMCHRSJX-STQMWFEESA-N 415.541 0.353 30 20 HCED CC(C)(C)[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1750519399 WCKVTCPMDYLZMU-GMYLUUGSSA-N 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HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1839806598 UGHPAPSIJRGXPJ-HXUWFJFHSA-N 401.419 0.617 30 20 HCED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1839831571 XDAAWFRTWFKBFT-HXUWFJFHSA-N 403.410 0.746 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1)C(F)(F)F 1839891575 MWQPFGONIOJPST-BZNIZROVSA-N 407.389 0.073 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C(=C/c3ccco3)NC(C)=O)C2)C1 1840175217 PGASXFSPIJPKFI-CNEDASOKSA-N 417.462 0.789 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccnc3C)CCO2)C1 1840489419 UXSSYPOBUWKZPT-FVJLSDCUSA-N 418.494 0.247 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)cc1 1840538509 JTAPRXIBGYHOMI-DENIHFKCSA-N 413.474 0.859 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CC1(F)F)CCO2 1840823749 CPJRIYUNLBSKRF-ZTFGCOKTSA-N 400.422 0.526 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1845255308 SUWINUZKXHBXJQ-KBPBESRZSA-N 412.487 0.834 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1845958053 OVMXENULDCUUPQ-POXGOYDTSA-N 411.524 0.485 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1846001406 LIWHZLSHKOXUBT-HUUCEWRRSA-N 418.494 0.243 30 20 HCED CN(CCCC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C(=O)OC(C)(C)C 1847077048 LQXCBJLEXFRGHS-UHFFFAOYSA-N 407.467 0.925 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)ON=C(C)C 1847786408 REOITZHGKRCQGA-AJNGGQMLSA-N 402.517 0.317 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1848063509 WXAJWTKXHKBCHU-BPUTZDHNSA-N 403.508 0.716 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(=O)n1O 1848347098 LGKYCNDTUSHBLD-MVTFCRCUSA-N 404.423 0.430 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)c1=O 26158485 KYIXPTJMKIWTEX-UHFFFAOYSA-N 402.432 0.877 30 20 HCED C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 146637267 GNJYEHQEEIWPLP-DOTOQJQBSA-N 407.492 0.975 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)n1 437100837 TZDUKIWANPPEQK-ZBFHGGJFSA-N 400.483 1.572 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 437417717 DJADRYVYPBDWQJ-CQSZACIVSA-N 408.480 0.654 30 20 HCED C=C[C@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 437728036 YWDIPULZTCZEGR-JFIYKMOQSA-N 403.545 0.713 30 20 HCED Cc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1C#N 439056648 IZRXIPCEFZNXER-NSHDSACASA-N 405.436 1.057 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@H](C)C1=O 440993629 RBTNRTQORNDBNQ-GFCCVEGCSA-N 414.853 1.415 30 20 HCED N#Cc1nc(NC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)[nH]c1C#N 443752111 BQMLEAJTCBZPOH-HNNXBMFYSA-N 404.390 0.641 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 462657942 JNMZZVDDDNSFKZ-JTQLQIEISA-N 408.465 0.491 30 20 HCED COC(=O)C[C@@]1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1 464606951 JMFOOCAPILMUIT-RXVVDRJESA-N 418.469 0.846 30 20 HCED N#Cc1c(N2CCN(C(=O)Cn3cnnn3)CC2)nc2c(c1C#N)CCCCCC2 479928919 HAAJHNQNWBSTBZ-UHFFFAOYSA-N 405.466 0.819 30 20 HCED CCCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480439061 BWJVJMPNTILGOU-AWEZNQCLSA-N 406.508 0.990 30 20 HCED CN(C)CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487643149 UXKSJSUCEXUZRX-HXUWFJFHSA-N 412.538 0.984 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 491260498 VXXRDOUIPAIWEW-UHFFFAOYSA-N 401.467 0.518 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1n1cccn1 494053665 CBJCUMJZTCVVHE-BRWVUGGUSA-N 420.433 0.809 30 20 HCED Cc1oc(NC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)c1C 502326241 PWBUJGTUTAJXRI-OAHLLOKOSA-N 410.496 0.833 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC(C)(C)CCC#N)cn2)C[C@H](C)O1 511006239 YGCBICXTGJUBQQ-GJZGRUSLSA-N 418.498 0.904 30 20 HCED CCN(CC)C(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512399709 MBLMKXOAKCZTCN-LJQANCHMSA-N 406.575 0.165 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 523580694 BTHQNOHTAMFXQT-UHFFFAOYSA-N 419.510 0.972 30 20 HCED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 526113487 CHYKJOQXDUBNEN-CABCVRRESA-N 404.471 0.433 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)nn2CCC#N)s1 530569001 NNRZPXBMBAEJGJ-UHFFFAOYSA-N 424.508 0.720 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1cccs1 533887537 JHPASVNKVJXWJE-GFCCVEGCSA-N 406.489 0.833 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc(F)cn3)CC2)cc1 545351987 DLFBXCQRYDBECZ-UHFFFAOYSA-N 418.454 0.770 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 545496612 IEZPDXFJNIIQGL-HNNXBMFYSA-N 407.434 0.665 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 552632743 GXSWPCLPHSCGEF-QGZVFWFLSA-N 423.439 0.955 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 553373964 WLKUGKOBXFPRBR-UHFFFAOYSA-N 402.499 0.291 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cnc(N(C)C)nc3)CC2)c1C#N 555058869 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HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 610806094 QEFUZGLVFYSWGL-WBAXXEDZSA-N 406.508 0.283 30 20 HCED COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 619455005 HDFQCIYAQHTJPD-QEJZJMRPSA-N 402.382 0.875 30 20 HCED C=CCCOCC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 620236704 RGEYFTYYCBJJQA-CQSZACIVSA-N 402.494 0.683 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)CC1 672354957 BCMSKLQPXVLSQP-UHFFFAOYSA-N 405.587 0.770 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCNS(C)(=O)=O 730599519 BJVJXFXKDGURTQ-CYBMUJFWSA-N 417.509 0.376 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc([N+](=O)[O-])cc1 731587191 VXDNYVFHDJVDOK-UHFFFAOYSA-N 404.404 0.829 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1CN1CCOCC1 732444213 RCJKLUZNBUFWQR-VXPUYCOJSA-N 413.478 0.844 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC 732562515 DPXPVGLRMLCSEK-UHFFFAOYSA-N 403.508 0.192 30 20 HCED CC(C)NC(=O)Nc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732910623 SOKIVPBNKDTVRZ-OAHLLOKOSA-N 406.464 0.796 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@@H]1CCN(CC(F)(F)F)C1=O 735705215 HNFPZUKUTRRDQJ-SNVBAGLBSA-N 405.354 0.432 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2ccc(C=NO)nc2=O)cc1 736302588 NRRFDHHZWPKOFE-UHFFFAOYSA-N 407.452 0.721 30 20 HCED COC(=O)CCCc1nnc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 740464228 DYNCUCNSFIADNK-YPKPFQOOSA-N 408.440 0.682 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 743411786 XCOWMAPJWFAERV-UHFFFAOYSA-N 416.415 0.609 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 746363055 JLQHCQUNCTUGFM-UHFFFAOYSA-N 420.426 0.017 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)[C@H](C#N)C1 754390438 WBIRNVOCGGBSDK-LLVKDONJSA-N 414.509 0.909 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758757615 GPKSMTBXAXBNAM-QWHCGFSZSA-N 403.505 0.374 30 20 HCED C#CCCCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760433823 RIWCPCWWIQHTCI-OAHLLOKOSA-N 423.491 0.290 30 20 HCED N#Cc1cccc([C@@H]2CN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CCO2)c1 761328882 BPIWXIVPUBAGMX-KRWDZBQOSA-N 412.427 0.850 30 20 HCED CC(C)N(CCCNC(=O)CON=C1CCC2(CC1)OCCO2)S(C)(=O)=O 762689709 CXPBOQPGYFFUSC-UHFFFAOYSA-N 405.517 0.852 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1Cc1ccon1 765145238 NKLUICJPVFBXJN-UHFFFAOYSA-N 415.500 0.775 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)[C@@H]3CCSC3)CC2)o1 767118362 VUJKFIKABYMXGI-CQSZACIVSA-N 407.496 0.484 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)Cc1ccc(F)cc1 767136693 UVIQMAIGDAAVCM-HNNXBMFYSA-N 405.451 0.974 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OC)CC2)cc1C#N 770081072 JLLUNNVZUGYXPR-UHFFFAOYSA-N 418.406 0.592 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2COC(C)(C)O2)cc1 774453450 UUMVEGMSDUZIBD-CQSZACIVSA-N 411.480 0.699 30 20 HCED C#C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CCCO1 775796301 VLSZCVDQAPSKLV-SJORKVTESA-N 404.492 0.866 30 20 HCED CC(=O)Nc1nnc(S(=O)(=O)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)s1 777336474 UMLAGKLIHUYYPK-CYBMUJFWSA-N 420.476 0.842 30 20 HCED CC(C)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1=O 779284115 XUEUAKXMRIWGPR-CQSZACIVSA-N 406.508 0.831 30 20 HCED C#CCOCCNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 784765488 AFSMTUQPBIRLKD-UHFFFAOYSA-N 403.460 0.948 30 20 HCED C#CCN1CCN(C(=O)CNc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)CC1 785524107 GKXJXXMBFWUDGM-UHFFFAOYSA-N 420.535 0.021 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCNc1ncccc1C#N 787790840 PAXZQJZWOZZEHX-HNNXBMFYSA-N 400.483 0.193 30 20 HCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@@H](C#N)C2)(S(C)(=O)=O)CC1 796214222 YXQSARXWQUYEBL-ZDUSSCGKSA-N 401.485 0.552 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)[C@@H]1CCS(=O)(=O)C1 799260977 HGWIUFZUCVZLEP-CYBMUJFWSA-N 409.420 0.581 30 20 HCED 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O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nnc2nc[nH]n12 816656257 LPLYLQFWPMNDDW-UHFFFAOYSA-N 402.440 0.690 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCCS2(=O)=O)cc1 916440436 ACLKKEAUPVRRDF-SDXDJHTJSA-N 414.509 0.473 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1=O 917475377 CFIHISWIYYRZCS-UHFFFAOYSA-N 421.498 0.490 30 20 HCED CN1CCC(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918241343 BXVKWVJNYFCOSW-XLNRJJMWSA-N 421.523 0.648 30 20 HCED N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 1166314245 MBWIUMKEXSQGIN-UHFFFAOYSA-N 422.413 0.531 30 20 HCED C=CCN(CC=C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCO1 1201033418 NLWMWISHIZTFJV-KKEPMVJESA-N 403.523 0.818 30 20 HCED N#CC[C@@]1(O)CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 1212299542 PJCBWCJEFCIHNE-CYBMUJFWSA-N 406.233 0.726 30 20 HCED CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1314666512 VYUBIIBARZCVCS-HUUCEWRRSA-N 410.544 0.497 30 20 HCED 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CN1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)[C@@H](CO)C1 1647810357 SCGNZWUGIDSBBS-IAGOWNOFSA-N 415.538 0.964 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1696955476 VVFNEJAQYBGFAQ-UHFFFAOYSA-N 405.466 0.956 30 20 HCED CS(=O)(=O)CC1(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1712695525 XNXOPYCAZPXFHP-CQSZACIVSA-N 402.480 0.894 30 20 HCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)CC1 1750384923 VGUCRGLVPBXCCD-UHFFFAOYSA-N 408.466 0.796 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1750390519 QEILXEYBYGCTKT-MRXNPFEDSA-N 415.498 0.608 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778359456 VQFWFDWYBGXDFF-QFIPXVFZSA-N 418.538 0.174 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778833262 VRTNQFLFOKQHPK-NGXITPROSA-N 419.478 0.161 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1778969052 ZSGKVJLVSNQLPR-ZRGWGRIASA-N 416.540 0.070 30 20 HCED 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416.478 0.365 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1ccc(O)nn1 1785845419 DUVOAHUQAWABOE-FYLVAQMVSA-N 413.434 0.488 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791557548 OPXBNPCCEJDRFE-ZQDZILKHSA-N 423.539 0.450 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791603785 IUBMEBUUTNSJNU-LUKYLMHMSA-N 418.494 0.408 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(N)=O)[C@H]3C2)cc1 1792278327 OSYIUSGGTMFZGM-BZSNNMDCSA-N 413.478 0.139 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccc(Cl)c1 1792749657 YDTFCGAJTZFOET-DBWKPXFBSA-N 406.822 0.396 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1793384368 YAYDGHDFEYKDBL-DLTLXFJOSA-N 408.524 0.823 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)C2 1793385328 KGZQFTGOTPOMFQ-JJJXKZEHSA-N 423.579 0.931 30 20 HCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1795276160 JTFXUODCYWYVPA-OPMZPASUSA-N 415.453 0.984 30 20 HCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)N2)c1 1795387201 TZIZTPKHLKMADO-BMQTXXJKSA-N 410.474 0.359 30 20 HCED Nc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)s1 1795687029 CXXXUHVAARCXRD-APBAFYQPSA-N 403.464 0.641 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184626 QRIKIQZSAFOHDF-NWJSVONSSA-N 404.496 0.624 30 20 HCED Cc1ccn2c(=O)c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)S)C4)cnc2c1 1797068347 QPGGGEHQRZYKOG-ZJOBFFGXSA-N 416.503 0.524 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 1797182255 VZPLQWUVSUZDHS-KJOVKWNASA-N 405.495 0.856 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ncccn2n1 1797476575 QDPXSKIKOXKGON-QDMKHBRRSA-N 410.482 0.658 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[n+]([O-])cc1)C2 1799303977 GLFCXFQTDDMOCQ-ALXJQNPVSA-N 403.435 0.033 30 20 HCED COC(=O)Nc1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c1 1799429552 FLNWTIFAOISBAH-ZSBFGKGUSA-N 415.402 0.156 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCNC(=O)C2)C3)c1 1799803398 RVRSKYXCNQMPMF-BOLBYERCSA-N 410.474 0.596 30 20 HCED Cc1cnn([C@@H](C)C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1 1801338035 BTNJKWOJELDENK-DSTDMBPMSA-N 416.526 0.814 30 20 HCED N#CC1(C(=O)N2CCCC3(CCN(C(=O)CN4CCS(=O)(=O)CC4)CC3)C2)CC1 1809495537 LZVXTRASPDEHPK-UHFFFAOYSA-N 422.551 0.252 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810392694 PWBYNDWDLCNLRO-UFTXUDEVSA-N 411.462 0.888 30 20 HCED N[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)c1ccccn1 1812879663 SJDZLYGZPFHDSN-YSSFQJQWSA-N 407.430 0.270 30 20 HCED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1813055282 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C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1831386162 AHGLMGYQKWRPLR-OXJNMPFZSA-N 405.451 0.020 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831403912 BDFWVGZQJSXASB-NRFANRHFSA-N 418.494 0.458 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1831421110 DRPZKQITWGIOIV-YWZLYKJASA-N 422.482 0.090 30 20 HCED CC(C)(C)OC(=O)CC(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833609730 RWQJOJAZFFOTSV-UHFFFAOYSA-N 421.494 0.378 30 20 HCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)CCC1=O 1834600076 QQUAZHVABOJNMF-UHFFFAOYSA-N 414.510 0.470 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CC45CCCN4CCC5)C3)C2)CC1 1835345922 KNXMDZFAWZKZIM-QFIPXVFZSA-N 416.522 0.765 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836062331 KYQATVKEDROMTL-OXJNMPFZSA-N 421.498 0.220 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cnnn3)CCO2)C1 1836141852 AWTQQKBRJIQWOD-IBGZPJMESA-N 406.487 0.122 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)Cn2cccn2)CCO3)cc1 1836162417 XLZQAYXBBLJWSG-JOCHJYFZSA-N 423.473 0.454 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccnc(Cl)n3)CC2)CC1 1838460673 TXVIRPZFJKBLNP-UHFFFAOYSA-N 420.853 0.830 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C1(O)CCC1 1838732949 FRXRWWHNNUNYRD-YWZLYKJASA-N 416.478 0.507 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1839226385 NJNFEXVKOFUDLA-LQWHRVPQSA-N 424.542 0.586 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=C)C(F)(F)F)CCO2)C1 1839891551 LGGFJHFBKFLJLR-YOEHRIQHSA-N 404.385 0.600 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cncnc3)C2)C1 1840167202 CSDIMDWPBKYWBC-NRFANRHFSA-N 400.479 0.669 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840167773 MMDCXUGXANAUOE-OAQYLSRUSA-N 411.462 0.603 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273423 UXFMTPOEEPDJNZ-CVVKJMNTSA-N 414.568 0.948 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840293748 UAJLLSLHQFFCNQ-DYYZXQNHSA-N 417.506 0.471 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840424383 KLGZNAVMCFNIDE-IERDGZPVSA-N 414.462 0.609 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4)C3)C2)CCC1 1840812944 TZDYCYVEDUUKST-OAQYLSRUSA-N 404.511 0.623 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnccc4F)C3)C2)CCC1 1840813640 LEMFOYQBMJNNNY-HXUWFJFHSA-N 402.426 0.985 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842808742 VKLLODVURPSDEH-CQSZACIVSA-N 406.483 0.769 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4c[nH]c(=O)cn4)C3)c2c1 1844763725 PYCPDSQHEZUMDV-UHFFFAOYSA-N 403.402 0.649 30 20 HCED CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C[C@H]2C[C@H]21 1847574784 SADDQNMLCQOHPO-LYYZXLFJSA-N 417.462 0.674 30 20 HCED O=C(COC(=O)C1=COCCO1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 11444985 FJBSIJQCBUOTHQ-UHFFFAOYSA-N 409.420 0.527 30 20 HCED CCN(CC)S(=O)(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 108094341 DYJBSLBFILEWJK-SFHVURJKSA-N 405.524 0.868 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@@H](C)[C@@H](C)C(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 410103823 HOQFMIUMPWIIRP-MHORFTMASA-N 418.538 0.749 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 410153412 YUZJZMOHBJFHOB-RDTXWAMCSA-N 422.507 0.743 30 20 HCED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NCCS(N)(=O)=O)cc1 429477101 VLTNPUPSMISAIC-UHFFFAOYSA-N 416.459 0.675 30 20 HCED C=C[C@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 437728039 YWDIPULZTCZEGR-XYJFISCASA-N 403.545 0.713 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(CCS(N)(=O)=O)CC2)c1 440332934 BDNQHAAYDLDBTB-SFHVURJKSA-N 421.567 0.845 30 20 HCED CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C1 441851207 SMKQFGRADQPHPA-ZWKOTPCHSA-N 413.478 0.542 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCOC1 441923603 OOKRZTBRETVDJQ-KBPBESRZSA-N 400.504 0.798 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)cc2F)c1=O 445601487 PLQIDLJOFISDRY-UHFFFAOYSA-N 407.854 0.601 30 20 HCED Cn1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C(F)(F)F)n1 447014325 TUWQUYSPWHOCJJ-UHFFFAOYSA-N 407.356 0.993 30 20 HCED C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 447781097 SDPMEHJUEVFAOP-LBPRGKRZSA-N 407.452 0.735 30 20 HCED Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 448237254 DFHFCIKLJOEXJK-MRXNPFEDSA-N 423.477 0.868 30 20 HCED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 462076664 VEUFTAIDZVTKPH-CQSZACIVSA-N 404.448 0.988 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 463276793 AWGXIIUHFBIJJH-QCFAMHMHSA-N 422.485 0.755 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464911400 KOTHETSMBRZJEX-ROUUACIJSA-N 414.558 0.842 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 482197717 IVYBKQPAXGRQSL-NVXWUHKLSA-N 420.535 0.842 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3C(=O)[C@@H]4CS(=O)(=O)CCN4C3=O)C2=O)cc1 484471277 HWADXRXSXSMSKS-CABCVRRESA-N 402.432 0.115 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 484580831 FWXMYYXWSSVVHH-GXTWGEPZSA-N 410.496 0.720 30 20 HCED CNC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 484842858 AKKAPIGVXJGFEI-UHFFFAOYSA-N 413.459 0.460 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(N4CCNC(=O)C4)ccn3)C2=O)cc1 489186254 HYFUCNUDSFPKIK-GOSISDBHSA-N 418.457 0.420 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)CC1 502911440 ODFHLDJFAOZRLU-INIZCTEOSA-N 409.475 0.900 30 20 HCED C=CCc1cc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc(OC)c1O 506150976 MHZFWRMFJAAXAN-UHFFFAOYSA-N 403.479 0.632 30 20 HCED C=CCn1c(-c2ccccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508921604 ZISLDWATPNZXSC-UHFFFAOYSA-N 422.493 0.906 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1c(C(=O)OCC)cnn1CCC#N 509261905 DQFBHVGTCQCUEK-UHFFFAOYSA-N 410.412 0.674 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCCOC1 511658843 MLMIJDQAZAATSM-FRFSOERESA-N 423.491 0.700 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(Cl)c(F)c2)c1=O 521494293 QRTWJFDAUCDYME-UHFFFAOYSA-N 407.854 0.601 30 20 HCED CCc1nc2n(n1)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 522318585 IXYRPGSCWWVHTD-AWEZNQCLSA-N 402.480 0.464 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCS(=O)CC2)CC1 532557357 FTGBWPFWKZEDAQ-UHFFFAOYSA-N 403.464 0.519 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCCO2 536199089 PPZFSRFFSPAJPJ-ZDUSSCGKSA-N 408.418 0.795 30 20 HCED COc1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1S(=O)(=O)N(C)C 539355278 PPEJNBVIXNKEQD-UHFFFAOYSA-N 420.495 0.827 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 543222624 PXXSLUAYMVQBSC-CQSZACIVSA-N 424.479 0.062 30 20 HCED N#Cc1cccc(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)n1 544832336 CKSVITSWLKWQTK-UHFFFAOYSA-N 420.385 0.806 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)C2 547306709 KUBHIYWSLCYBJV-INIZCTEOSA-N 416.445 1.158 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N2CCCC2)nc1 550499393 XQAXCDSZHLDGSV-UHFFFAOYSA-N 410.482 0.566 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 554153695 FVVDEECOUOJIKK-DZGCQCFKSA-N 424.498 0.674 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NCC#CCO)CC2=O)cc1 555588317 QGPRBVQYNYJKJE-OAHLLOKOSA-N 407.492 0.182 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)NCCCCC#N)CC1 557687273 PBDTYFUOWQSOIS-UHFFFAOYSA-N 401.533 0.307 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1=O 561820512 OGHUIOSLJOHODO-QFBILLFUSA-N 413.522 0.969 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 569031503 VOAFIFMBODNTRY-UHFFFAOYSA-N 405.480 0.478 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NC2CCN(Cc3ccccc3C)CC2)c1=O 569361376 XKHUNBHIJMJDHD-UHFFFAOYSA-N 409.490 0.991 30 20 HCED 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1808433888 XFNSCRFMZUYBGN-OXJNMPFZSA-N 416.478 0.733 30 20 HCED C=C(C(=O)N1CCC2(CCCN(C(=O)[C@@H](N)CCC(N)=O)C2)CC1)C(F)(F)F 1809682937 OSCKIOCDOFAENE-ZDUSSCGKSA-N 404.433 0.929 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnn3c2CCC3)[C@H]1c1cccnc1 1812143994 MRYGDKWAZMKYCK-MGPUTAFESA-N 407.430 0.632 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)C(O)O)[C@H]1c1cccnc1 1814061014 ZZABJMMJSPTNQY-LPHOPBHVSA-N 410.430 0.349 30 20 HCED C#CCCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817818286 PPZOGPYJOGZAEP-CYBMUJFWSA-N 409.410 0.255 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CC2 1825027493 IYVOGTYPTTXKKC-SMDDNHRTSA-N 400.464 0.159 30 20 HCED CC(=O)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1)C(C)(C)C 1831086791 HOAPHQQAHHYKOH-FXAWDEMLSA-N 408.499 0.297 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831405458 BNHWIQHCXRDMIZ-FQEVSTJZSA-N 420.466 0.235 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1832456974 DXOUOJALALRTFS-LJQANCHMSA-N 422.507 0.474 30 20 HCED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)n1 1832818857 CFAHNWMTZUYQRL-FQEVSTJZSA-N 402.451 0.393 30 20 HCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)s1 1833023367 OLQIPEGSLZPTEM-SJCJKPOMSA-N 414.553 0.554 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)nc3)CCO2)C1 1833992034 WWLQHBMUSVMKON-DYESRHJHSA-N 401.463 0.498 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834585310 SLEQNHFDOFZBLO-MAUKXSAKSA-N 406.527 0.428 30 20 HCED C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834660898 IXKAKVSTRLSMBO-BRABVMKYSA-N 403.527 0.865 30 20 HCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1834974418 AVJKJIFRSGJFIN-OAQYLSRUSA-N 417.462 0.212 30 20 HCED N#Cc1ccc(C(=O)N2CCC(N3CCC(NC(=O)C4=NNC(=O)C4)CC3)CC2)cc1 1835701089 LQIHBJCSWCFIPF-UHFFFAOYSA-N 422.489 0.619 30 20 HCED NC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)c1ccccc1 1835811577 CTUBMQJEYGLDOF-NZQKXSOJSA-N 411.502 0.599 30 20 HCED CC(=O)Nc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1836662337 PZZPAHMYVNEWGD-OAQYLSRUSA-N 414.462 0.558 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn5cccnc45)CCO3)C2)CCC1 1836851609 WUUJHHNHZGNJBX-NRFANRHFSA-N 424.461 0.493 30 20 HCED CC(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486538 INUGESLNBYKQFU-JOCHJYFZSA-N 422.522 0.566 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])CCO2 1838601403 LNBBLXIZHLIJEI-LJQANCHMSA-N 419.390 0.012 30 20 HCED Cc1onc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)c1C 1838733312 YLJVVBYXSWAZDO-HXUWFJFHSA-N 413.434 0.875 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCCC4)C3)C2)c1 1838734989 RRFXHMLVIIIQGZ-OAQYLSRUSA-N 415.494 0.442 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048177 OCTWQCSEANGQFE-FQEVSTJZSA-N 412.450 0.032 30 20 HCED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451779 MXNVHSVHJCZUAT-NRFANRHFSA-N 401.463 0.973 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839540381 BKNWBSSPSCXPLI-AUUYWEPGSA-N 404.492 0.723 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591254 OAQKTIVLJGYZJN-FQEVSTJZSA-N 415.425 0.847 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839784612 SAYYXQBXVLOFBG-FRQCXROJSA-N 414.524 0.232 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(=O)OC)c3)C2)C1 1839809383 MEUFDJZJZHPJCC-FQEVSTJZSA-N 401.419 0.568 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)Oc3ccc(C)cn3)C2)C1 1839809885 QFJGDYQTJQBUQG-NRFANRHFSA-N 401.463 0.637 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1839838454 IDWZCILXUKKHEO-DYESRHJHSA-N 409.527 0.961 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839876760 ZNRJXGHASOYGKC-VGSWGCGISA-N 413.474 0.019 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840158871 RXRGVXJJGVOMNX-YHRBYZFPSA-N 400.541 0.560 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccc4[nH]3)C2)C1 1840160501 IZMIBOREKONQJL-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1Cc1ccccc1)CCO2 1840313259 ASBIPOBZSHZELM-NZQKXSOJSA-N 411.502 0.741 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)n1cncn1 1840419410 DNVNMHOISNJMEJ-KKSFZXQISA-N 424.461 0.481 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206607 HLTRAOLNPNRQLO-ZVBGSRNCSA-N 404.389 0.767 30 20 HCED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283824 VTEDCBFFQPGDHJ-UHFFFAOYSA-N 406.552 0.372 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1)[C@H]1SC(=N)NC1=O 1844795684 ORFDFJHEGZJPID-GXFFZTMASA-N 400.464 0.506 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1 10453409 DAKFSMBFUNEQNW-UHFFFAOYSA-N 402.432 0.414 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1 24975070 UIUJBLJBQBORJQ-UHFFFAOYSA-N 411.480 0.917 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2ccnc2C)cc1 52364911 KVXYIRYUMTWCOS-UHFFFAOYSA-N 405.480 0.753 30 20 HCED CCCCN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 106050515 CGZVXPMKFUNVGB-UHFFFAOYSA-N 400.526 0.841 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 142269315 PRZFKEQJRLCLJF-UHFFFAOYSA-N 402.432 0.954 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 410145931 QPKQYQNNRVCTFW-CMPLNLGQSA-N 400.482 0.566 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 428981069 WOEPYJUOYDXGAC-INIZCTEOSA-N 422.511 0.185 30 20 HCED CCN(CC)c1n[nH]c(NS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)c1C#N 444067213 ZGHZOECSYIKIMC-UHFFFAOYSA-N 412.497 0.836 30 20 HCED Cn1ncc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C(F)(F)F 445121910 XVGHKCPBDFOGKK-UHFFFAOYSA-N 407.356 0.993 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nncn2CCc2ccccn2)cc1 447501635 UYDAIDAQPSRSBI-UHFFFAOYSA-N 410.459 0.878 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 464285506 VPTKTJSNVDWEIP-ZBEGNZNMSA-N 404.423 0.707 30 20 HCED C[C@H]1CN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCCO1 470087816 SPJZSMOUGFHJRT-INIZCTEOSA-N 408.524 0.796 30 20 HCED CN(C)S(=O)(=O)c1ccc(OCCN(CCC#N)CCN2CCOCC2)cc1 471224221 NAKPEJOTBWDUJC-UHFFFAOYSA-N 410.540 0.864 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 473383305 BUYYVVDZYVGWRO-FQEVSTJZSA-N 423.517 0.816 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1F 479518034 YLNQMZDUQYAMKK-UHFFFAOYSA-N 418.450 0.830 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OC 481591065 IYNYKMGGNBKEMR-ZDUSSCGKSA-N 410.445 0.220 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2)nc1 489558336 WIULVLAKZUXEJU-MQOOWTBDSA-N 421.457 0.923 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CCC(C#N)CC1 490394254 JMEMSEMDMBEZLZ-UHFFFAOYSA-N 413.478 0.783 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)C(C)C 503429462 AHRQPYXKQIHYAA-SFHVURJKSA-N 405.543 0.817 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 506696332 GCZBYJPONIYQRB-HOCLYGCPSA-N 422.507 0.375 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)nn1CCC#N 507304926 PPBAYIKXNJKVOO-HNNXBMFYSA-N 401.471 0.840 30 20 HCED N#Cc1ccc(OC2CCC(NS(=O)(=O)N3CCS(=O)(=O)CC3)CC2)nc1 507948144 BJINCFJGGCFSCY-UHFFFAOYSA-N 414.509 0.208 30 20 HCED Cn1c(=O)c2cc(NC(=O)N3CCN(c4ccccc4C#N)CC3)cnc2n(C)c1=O 508366116 UUPHKZHIFSNTNH-UHFFFAOYSA-N 419.445 0.858 30 20 HCED C=CCN1CC[C@H](N(C)c2cc(N(C)[C@@H]3CCN(CC=C)C3=O)nc3ncnn23)C1=O 513055475 AGIVNBLPCKBSMZ-CVEARBPZSA-N 424.509 0.571 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCN1CCNC(=O)C1 513629614 HXEKTAHWFYNLRN-UHFFFAOYSA-N 422.445 0.541 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)ccc1Cl 516404197 CJMHUSBJAPTSEB-UHFFFAOYSA-N 413.869 0.879 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)N3CCCC3)c2)C1=O 520516683 NDZLEVVHRZQAKV-UHFFFAOYSA-N 413.434 0.907 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc([N+](=O)[O-])c3)c2=O)cn1 523574291 IJBYIIHAYDMTLQ-UHFFFAOYSA-N 424.442 0.273 30 20 HCED N#Cc1ccc([C@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C(N)=O)cc1 523936769 IZGLGMZUDUYQCE-INIZCTEOSA-N 403.420 0.561 30 20 HCED CN(CC(=O)NCCC(=O)N=c1cc[nH]cc1)S(=O)(=O)c1ccc(C#N)cc1 524356818 RPDMNKIUCGKATA-UHFFFAOYSA-N 401.448 0.141 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2ccc3c(c2)CCC3)c1=O 533579518 KGEADFBAQICJCG-UHFFFAOYSA-N 419.510 0.853 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n1 535845227 QEHVCZSLGCCVSF-UHFFFAOYSA-N 404.434 0.914 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1 539691661 QHAUMUSMEZWRGV-UHFFFAOYSA-N 415.494 0.776 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 539942218 KROBOCPJDMZZGP-UHFFFAOYSA-N 402.432 0.486 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 540298607 NCPVAPFXZDQITA-GOSISDBHSA-N 415.498 0.804 30 20 HCED N#CCC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 541041370 HLJDAPRPVAZGPC-UHFFFAOYSA-N 420.491 0.798 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cccc1C(N)=O 541155941 TVCGCIQWXXULGX-UHFFFAOYSA-N 408.418 0.348 30 20 HCED N#CCCCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 543158883 OIOVZRISXFDYAM-UHFFFAOYSA-N 404.448 0.995 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)N(C)C)CC1 548948974 VKNBOIWKRHCFMD-UHFFFAOYSA-N 408.470 0.910 30 20 HCED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 549665201 FFSDADAXNYVQGG-HNNXBMFYSA-N 420.514 0.505 30 20 HCED CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)C[C@H]21 558044528 NSOQALLRDDJBPA-ATZDWAIDSA-N 415.469 0.324 30 20 HCED Cc1cc(S(=O)(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)ccc1C#N 558092942 VPSUJADBOKBAAK-HNNXBMFYSA-N 400.526 0.806 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC 558765363 PPQXOZWPIBKFSF-LBPRGKRZSA-N 423.534 0.463 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)C1=O 561820511 OGHUIOSLJOHODO-LPHOPBHVSA-N 413.522 0.969 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 566729571 PVGGYHNFUMCIJJ-CQSZACIVSA-N 419.457 0.321 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 570151386 FMNWRIPVQZZNGF-OAHLLOKOSA-N 407.496 0.275 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(Cn3cncn3)CC2)n1 573293592 WXVPUCZWSRVIBN-UHFFFAOYSA-N 405.422 0.608 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)nn1 574236404 WFHRLSLQRQJFTF-CQSZACIVSA-N 404.452 0.442 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCC(=O)c1ccc(C#N)cc1 576231625 NVTXRLXTSHNDAJ-GFCCVEGCSA-N 403.464 0.575 30 20 HCED N#Cc1cncn(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1=O 581279015 IGJKMQPRYCJJQS-UHFFFAOYSA-N 401.448 0.928 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCc2nccn2C(F)F)CC1 586842077 JKEZQFJSWPKZAD-UHFFFAOYSA-N 419.392 0.980 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)Nc1ccccc1-n1ncc(C#N)c1N 588836684 COTVSRDLZARLIZ-UHFFFAOYSA-N 406.468 0.609 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCOCC4(CCC4)C3)C2=O)cc1 588869831 OEKYRUAOLKQULW-SFHVURJKSA-N 410.474 0.804 30 20 HCED C=CCOc1ccccc1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 600897067 QYIIOFVQLKONMQ-UHFFFAOYSA-N 416.478 0.464 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604169013 PGUIJEIVPVQKIC-UHFFFAOYSA-N 406.446 0.990 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)cc1 604269979 LHNWJTQECYCCHB-UHFFFAOYSA-N 410.499 0.088 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC#Cc2ccccc2)cc1 643645673 AVEJBAGCAQJQHQ-PXNSSMCTSA-N 414.483 0.987 30 20 HCED Cn1ccnc1[C@@](O)(CC(=O)N(CCC#N)CCN1CCOCC1)C(F)(F)F 725713371 GOVSFFSYVBPTLH-INIZCTEOSA-N 403.405 0.635 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCOC2=O)cc1 728407105 RAGRGAJQDIZHEZ-UHFFFAOYSA-N 424.479 0.390 30 20 HCED CC1CCC2(CC1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 731861022 GIWCWUKCZPGTGK-NXVVXOECSA-N 403.439 0.130 30 20 HCED CN(C)CCCNC(=S)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 731931159 YJYBFCDMDWTXGA-UHFFFAOYSA-N 417.539 0.281 30 20 HCED N#C[C@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)C(=O)N1CCS(=O)(=O)CC1 732910676 RYWRAMSMDNUEDH-CYBMUJFWSA-N 407.839 0.500 30 20 HCED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737278405 ZKGLERAYDJLZFO-DRPFOCBESA-N 424.479 0.363 30 20 HCED C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CN1CCOCC1 737983217 GXLOSSDLVJRLNZ-HNNXBMFYSA-N 408.524 0.590 30 20 HCED CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 751923366 HWPJAFDNYZMKBJ-LJLNTGJOSA-N 403.508 0.727 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 756758704 RYNKTHBNSCGJQU-NSHDSACASA-N 416.419 0.752 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nc21 757596028 UQCYGROGBWUKTL-WCQYABFASA-N 415.454 0.877 30 20 HCED C[C@H](CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CN1CCN(C)CC1 758533717 FUTOAMRJBGOYOK-ZACQAIPSSA-N 408.547 0.928 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCS(=O)(=O)CC2CC2)[C@H](C#N)C1 758597029 NPMWGFZHZCLEEY-ZIAGYGMSSA-N 400.501 0.869 30 20 HCED C[C@H](CC(=O)N[C@H](C)CCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 762200222 HDVYITQQVAJTSU-VXGBXAGGSA-N 401.510 0.443 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2cccc(F)c2)C(=O)C1 765271248 ORIDTUIMWMSOOK-UHFFFAOYSA-N 416.434 0.740 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 766250536 YGVRJCKKFKVZAX-UHFFFAOYSA-N 423.495 0.236 30 20 HCED COc1cccc(S(C)(=O)=O)c1NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 767392179 OEFDEKMGVNYMGH-UHFFFAOYSA-N 406.424 0.231 30 20 HCED CCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCC 771892446 SXNTVLZCGXDJFC-UHFFFAOYSA-N 410.452 0.194 30 20 HCED N#CCOc1ccc(CC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 779584180 RTBNUBVZPAAHRP-SFHVURJKSA-N 407.492 0.784 30 20 HCED COC(=O)c1ccc(F)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 780748470 BSCSPMLMQYWCRP-UHFFFAOYSA-N 409.399 0.844 30 20 HCED CC(C)[C@@H](F)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 784296870 XWJDHXLNIPXHEP-QGZVFWFLSA-N 411.455 0.928 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 784691311 BGBNFSFFCXHTOZ-UHFFFAOYSA-N 412.446 0.510 30 20 HCED CC(C)(C#N)CC(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 785096621 GLMLXDDGFVBEOU-UHFFFAOYSA-N 423.491 0.807 30 20 HCED Cc1nc(Cn2nnc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)c2C)no1 786266388 IMDWRBAMCOCDGE-UHFFFAOYSA-N 401.408 0.458 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 786548360 KHBVDOBATDTMHG-BRWVUGGUSA-N 417.487 0.356 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 787001534 SCUKNAQIQHRZQK-HNNXBMFYSA-N 420.491 0.815 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 787601692 FTRSFTPIEWQJOT-UPJWGTAASA-N 404.423 0.488 30 20 HCED O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 790299040 HTHZPUFAKXCFHP-AWEZNQCLSA-N 402.394 0.867 30 20 HCED CSC[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 793195230 IHSZICZSETWQQO-XQQFMLRXSA-N 413.521 0.643 30 20 HCED C=CCN1CC[C@H](OC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1=O 798602107 BDUWLEQULBIXLI-SFHVURJKSA-N 421.519 0.777 30 20 HCED C[C@@H](C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)n1cnc(C#N)n1 798741014 HCTULGKEZUAPJQ-NSHDSACASA-N 406.424 0.143 30 20 HCED C[C@@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1cnc(C#N)n1 798741488 RQDBYUACANSUPV-VIFPVBQESA-N 402.436 0.932 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 799284828 OUIARYMQGYYKAE-RBUKOAKNSA-N 414.506 0.682 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O 799287878 UTAHOBVYHOBSCS-NSHDSACASA-N 417.281 0.682 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)c1cc[nH]n1 804396024 ZNLNQADMYNQGNM-GHMZBOCLSA-N 406.361 0.713 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 806191062 JTZJQKYRIVZCQX-LJAQVGFWSA-N 421.523 0.736 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)[C@@H]1CCCO1 808528467 CNUWTWUQZLWOLZ-ROUUACIJSA-N 421.519 0.534 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[C@H]1CCCO1 808797277 KZIDEFPGZGYYOA-IAGOWNOFSA-N 405.476 0.140 30 20 HCED C#CC[C@]1(C(=O)NCCNS(=O)(=O)NC(C)C)CCCN1C(=O)OC(C)(C)C 809798895 UDCFSNPKGDDKGE-GOSISDBHSA-N 416.544 0.728 30 20 HCED N#Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)nc1 813709103 FFOQTAXEUWBZPP-UHFFFAOYSA-N 401.448 0.367 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 814540954 IMHHSVLKLNMVSH-KRWDZBQOSA-N 408.476 0.840 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnn(C)c1I 815513886 XOGJBCKIBKYACM-SSDOTTSWSA-N 406.180 0.582 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)C2(S(N)(=O)=O)CC2)nc1C 816842376 OWZFTPBSHCUITD-UHFFFAOYSA-N 400.511 0.944 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 831422087 UKFBSONVUYAZER-CABCVRRESA-N 400.464 0.959 30 20 HCED Cc1c(Br)c(C)n(NC(=O)CN2CCCS2(=O)=O)c(=O)c1C#N 1161250844 OAZRHJSKVKYDEL-UHFFFAOYSA-N 403.258 0.205 30 20 HCED C=C(Cl)Cn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1301036861 MXENDNPHJLSQJI-UHFFFAOYSA-N 420.905 0.765 30 20 HCED COCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1301437520 ISEDPXHBGJKZCQ-UHOFOFEASA-N 418.495 0.118 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1301968763 PFNQKRFHWWHJHE-CVEARBPZSA-N 410.544 0.498 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1301968790 PVCAOYDZVIDGIG-ZIAGYGMSSA-N 414.532 0.368 30 20 HCED CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1315685563 JFTJKIDRFWHTKX-KBUPBQIOSA-N 412.516 0.432 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n1 1318714701 VMPUQMSYKHONLV-RDJZCZTQSA-N 406.446 0.956 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c[nH]cc(Cl)c3=O)CC2)o1 1321274666 QXSHGLSWMBHGQW-UHFFFAOYSA-N 405.798 0.702 30 20 HCED Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1322036651 ACRNEFYIWBXWKF-OAHLLOKOSA-N 415.479 0.149 30 20 HCED CN(C)C(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503367028 IZAUQUUMHCDERL-INIZCTEOSA-N 414.514 0.055 30 20 HCED COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cccc(Br)c2C#N)C1 1622318667 YYJLUGLGJNKXTO-ZJUUUORDSA-N 403.254 0.865 30 20 HCED C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1644034028 LIQGSTUJOWJKFY-OAHLLOKOSA-N 418.397 0.395 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1Br 1662177679 LDEYTSXYPHZUOL-KCJUWKMLSA-N 406.233 0.771 30 20 HCED CC(C)[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691556144 OERRJFFEYNMPHN-TWOQFEAHSA-N 401.515 0.813 30 20 HCED Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)N1CCOCC1 1726402031 IUWDQNXYTJTDRK-UHFFFAOYSA-N 413.457 0.783 30 20 HCED Cc1noc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1726423362 PXJDOTZZZRMWKU-GXTWGEPZSA-N 423.499 0.465 30 20 HCED CCN(CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1728500902 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C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1836114333 HPEWBHFUXRJRSV-DYVFJYSZSA-N 412.537 0.343 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5c(c4)CC(=O)N5)CCO3)C2)CC1 1836787394 SKMLFRIHMUPNME-JOCHJYFZSA-N 424.457 0.555 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1837314742 WGFIVDGFRHXXBL-GHTZIAJQSA-N 417.510 0.893 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837560342 NXDPZPSZPONXLT-MHRHTVJOSA-N 418.494 0.251 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO3)C1 1837669354 RXHZJPDYOBGXNE-IIBYNOLFSA-N 407.511 0.714 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CC)n(C)n1)CCO2 1838279807 UGHZYOZVHPTKNX-OAQYLSRUSA-N 402.495 0.856 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)cc1 1838950390 RLZWWDQLYAVNKT-IBGZPJMESA-N 417.491 0.255 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1839174064 CQTKRZCYAVZELW-IBGZPJMESA-N 407.423 0.254 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223459 WJGMNDLKHQERQU-HLIPFELVSA-N 411.499 0.835 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839890491 CLQJTZNQKXFNQR-RDTXWAMCSA-N 415.437 0.180 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1)C(F)(F)F 1839894209 OXPUDJASNHWKSJ-UEICXMAYSA-N 419.400 0.601 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)O)CCO3)c1 1840025677 MMPXTBBZSZXNEW-XOBRGWDASA-N 403.435 0.018 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C(F)F)c3)C2)C1 1840040850 AWHUINUIUJDBBT-LJQANCHMSA-N 423.372 0.177 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840163583 KOAQWEAXZFTUMX-KUHUBIRLSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1840166940 MOYLDGVILJNCLC-GHTZIAJQSA-N 402.495 0.779 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1840841532 GLJAHJJLCQISSM-QFIPXVFZSA-N 423.473 0.751 30 20 HCED O=C(O)c1cnncc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844459225 ASFFCHUDBVYCSG-YJCKXXIQSA-N 417.422 0.521 30 20 HCED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1 1845486424 RANHDJXZIBGVFI-UHFFFAOYSA-N 403.483 0.998 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2ccccn2)C1 1845769036 MTAZCBQFHIFXEJ-HOTGVXAUSA-N 400.479 0.994 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)C1 1846142276 NGCVVIYRGIIOGT-OWCLPIDISA-N 403.479 0.705 30 20 HCED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C 26196939 IXEROGTUDCXFQI-UHFFFAOYSA-N 422.401 0.855 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C(N)=O)cs3)CC2)cc1 53146628 VYCLFMPXLSPDFW-UHFFFAOYSA-N 404.473 0.865 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 55589037 FZQKJLRJPSCSGE-UHFFFAOYSA-N 416.459 0.618 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCCN2CCN(C)CC2)ccc1F 303511573 SWOVWZDIFKKULA-UHFFFAOYSA-N 412.531 1.000 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCNS(=O)(=O)c2ccc(C)cc2)CC1 303785312 QEKUUZYQOHSYPX-UHFFFAOYSA-N 411.528 0.799 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 409567843 UNHXPSFUMIIZBZ-UHFFFAOYSA-N 415.516 0.328 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@H](O)[C@@H](O)C3)c2)c1 434563645 CJOCHHZBJDODIQ-OALUTQOASA-N 408.410 0.376 30 20 HCED Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 435121693 YHEJPHYCSSLPCK-INIZCTEOSA-N 409.450 0.826 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)C1=O 440263706 GDEPGEBWOXCUPL-HNNXBMFYSA-N 411.466 0.970 30 20 HCED C=CCN(CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 440301427 GMTWWKHOKRTQGG-RHSMWYFYSA-N 411.499 0.794 30 20 HCED CN(CC(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 444485306 XBPUHOIGPHJIQN-WMZOPIPTSA-N 417.491 0.147 30 20 HCED C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CCC#N)n1 448417742 NLGKPYULNMYUJU-IERDGZPVSA-N 411.462 1.304 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCc3nc(COC)nn3C2)c1 467125173 LNFZXNQITITJFB-CQSZACIVSA-N 405.480 0.634 30 20 HCED CCCCN(C(=O)CN1CCOC[C@@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 471228591 ZCNXQASIKWBFII-AWEZNQCLSA-N 406.487 0.545 30 20 HCED C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 475598162 ZTSAWCGLUJXTKM-KGLIPLIRSA-N 405.542 0.319 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)s1 476992822 GMWNDGXXQKSHSW-UHFFFAOYSA-N 417.512 0.677 30 20 HCED C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 489928883 VIGSYXMCVBHQNZ-ZDUSSCGKSA-N 417.491 0.693 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)n1cccn1 490268380 IEUXWSXRKAZIBB-YJBOKZPZSA-N 408.462 0.691 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3ccnc(C)n3)c2)CC1 491083399 OYVBKLWZRKQYHC-UHFFFAOYSA-N 422.489 0.837 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CCO)CSC)cc1 493533802 XOVWKNQXJMTUTF-CQSZACIVSA-N 415.537 0.662 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 497727146 WJNDBWNXNONMPQ-QGZVFWFLSA-N 422.493 0.121 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C 498371580 HODVFJWXLXIKMP-OAHLLOKOSA-N 402.499 0.249 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOC[C@H]3[C@@H]3CCCO3)n2)cc1 507348378 SELRRDHFRWYCOC-IRXDYDNUSA-N 410.434 0.543 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 512367004 GFQGSEXCDZELAG-HUUCEWRRSA-N 423.481 0.497 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 513190171 QRKQVJXGRPGBRE-ZDUSSCGKSA-N 414.397 0.185 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCNC4=O)c3)CC2)nc1 518209959 HVIMNWWKFSIYHR-UHFFFAOYSA-N 419.445 0.770 30 20 HCED N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCO1 519273325 SLFFZBLQOWJRLY-GFCCVEGCSA-N 402.270 0.868 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(OC)cc3)c2=O)cn1 523576984 NHZOSPOJQJVOHT-UHFFFAOYSA-N 409.471 0.373 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(CCn3cncn3)CC2)cc1 524824377 KWZWXPLHVHIWGV-UHFFFAOYSA-N 416.507 0.814 30 20 HCED Cn1ncc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc21 530621713 YEVLYJDZOIJJJE-UHFFFAOYSA-N 410.459 0.987 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(=O)C(C)C)CC3)CC2)o1 533243349 YPFWRTMECMVUHB-UHFFFAOYSA-N 402.499 0.740 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCCO3)c2=O)nc1 533884833 OCRGYVSGTHESTD-KRWDZBQOSA-N 424.526 0.964 30 20 HCED Cn1cc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1C(=O)NCC(F)(F)F 539387805 LNRVHGIPQPYDDW-UHFFFAOYSA-N 421.445 0.831 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)S(C)(=O)=O 543005142 KCBAYKRJADCFBJ-SNVBAGLBSA-N 409.855 0.885 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 549824958 CJCRJPISEAGNDF-JCGIZDLHSA-N 414.462 0.168 30 20 HCED COc1ccc(OC)c(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 550352345 XMGLDUQAGVHGCC-UHFFFAOYSA-N 423.473 0.978 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCCCC2)n(CC(N)=O)c1=O 551921469 KZTNBTGSYFRCQL-UHFFFAOYSA-N 413.503 0.090 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)c(F)c1 553154521 DQRPKDBZYFPYAS-OAHLLOKOSA-N 413.453 0.473 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 564067531 QITRSIKXSALKFR-CJNGLKHVSA-N 420.491 0.061 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 569373654 PDTNYBVTASWNPO-CQSZACIVSA-N 404.496 0.678 30 20 HCED CN(CC(=O)NCc1cccs1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 570091065 TZTAXUQUPMUKNA-UHFFFAOYSA-N 406.489 0.673 30 20 HCED CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 573598349 ZUIWUJZWAAQSAX-UHFFFAOYSA-N 402.842 1.224 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1=O 575007831 QOOLFZMCTKRHNH-RTBURBONSA-N 414.506 0.421 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 589138853 IPLBBSVKAZGGRG-HNAYVOBHSA-N 400.479 0.763 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 603552939 BERNEYOJTNLYOH-UHFFFAOYSA-N 407.499 0.721 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Cl 604146132 ZAJMQLLZFCAKHH-UHFFFAOYSA-N 403.826 0.100 30 20 HCED N#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609338280 XJNAOEPTSOWPOJ-UHFFFAOYSA-N 410.456 0.160 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)NC[C@H](C)C#N)c(=O)n2Cc1ccccc1 609524249 ZPIWISCMBDPANK-OAHLLOKOSA-N 424.461 0.330 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)CC1 609571824 LUZGLWVXHFVVNS-KRWDZBQOSA-N 419.551 0.777 30 20 HCED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 611175892 OTYGOFKOZKJHGF-UHFFFAOYSA-N 423.514 0.190 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 615315185 HMDRRGBXIMWMNK-MRXNPFEDSA-N 401.467 0.028 30 20 HCED C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 685328315 FBJYRJHHQGSUSW-UHFFFAOYSA-N 405.929 0.924 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 726042815 HCRLYQOEGYCRCA-LLVKDONJSA-N 417.374 0.305 30 20 HCED C[C@]1(c2ccc(CNC(=O)C(=O)Nc3cccc(OCC#N)c3)cc2)NC(=O)NC1=O 726314920 HBMQYBXLLNTXRX-OAQYLSRUSA-N 421.413 0.898 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1CCOC 728039650 QKCNYZFXMSMTIN-UHFFFAOYSA-N 423.416 0.779 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCC2=O)CC1 729446722 ZONZKFIANWZEOC-UHFFFAOYSA-N 404.492 0.729 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 730095480 GEHRBAQKHMKDCS-INIZCTEOSA-N 406.464 0.525 30 20 HCED N#Cc1c(CCCNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)nn(-c2ccccc2)c1N 730526417 SEIPDOCJWVATRV-UHFFFAOYSA-N 417.433 0.460 30 20 HCED O=C(CS(=O)(=O)CCCc1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 731887876 POSOFIXJOBVYFY-HNENSFHCSA-N 405.476 0.677 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 732959065 WFUBXBIGZPBESH-SILNSSARSA-N 420.469 0.944 30 20 HCED CCOC(=O)N1CCC(S(=O)(=O)N(CCC#N)CCN2CCOCC2)CC1 742291219 LGZFJNFUSDAMHK-UHFFFAOYSA-N 402.517 0.485 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1CN1CCOCC1 742761991 KPDLRXNTIMQUDD-MRXNPFEDSA-N 420.535 0.829 30 20 HCED O=C1NCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1cccs1 742847560 OXGFCTXWZTYQNA-HNNXBMFYSA-N 404.473 0.486 30 20 HCED O=S1(=O)CC[C@@H](S(=O)(=O)N2CCN(CC#Cc3cccc(Cl)c3)CC2)C1 747676689 YHRDBNPYWHVDQX-QGZVFWFLSA-N 416.952 0.826 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 753755726 LUPCQSAVQCJSNT-UHFFFAOYSA-N 401.510 0.397 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cc2)c1=O 758066659 AMPOYLHRKPBYGH-UHFFFAOYSA-N 402.273 0.555 30 20 HCED CC1(C)OCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CO1 758729747 ZUNUBRVTMIGYTI-UHFFFAOYSA-N 408.480 0.726 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 763899110 BNCADFYNMRANDQ-LJQANCHMSA-N 423.491 0.919 30 20 HCED CC(C)CCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771889844 KYGTVSUYEKEUKP-UHFFFAOYSA-N 408.480 0.821 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)s2)c(=O)n(C)c1=O 771891537 ULQSWFDHQQOTRF-UHFFFAOYSA-N 407.271 0.220 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)cn1 772320042 YUXXNKZOFHQBDH-UHFFFAOYSA-N 411.487 0.345 30 20 HCED C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@H]1CCCO1 773113828 RNLUACUDWAEPDE-RTBURBONSA-N 421.519 0.829 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)cnc21 774236289 JAHKQKGKUNZYQX-UHFFFAOYSA-N 401.379 0.704 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 783480508 RHAHXMMRJSYQJC-FUHWJXTLSA-N 420.487 0.832 30 20 HCED N#CC1(NC(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2Br)CCC1 784195658 JNQQRUFCSZTRFC-UHFFFAOYSA-N 416.253 0.816 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)c1 784557963 UTYXUNNYMFJFRL-UHFFFAOYSA-N 406.446 0.461 30 20 HCED CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787756213 OOQCOQNMZJQTLZ-OAHLLOKOSA-N 416.482 0.949 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)nc1 788734904 MUDKQGMNNTYMDM-UHFFFAOYSA-N 401.448 0.071 30 20 HCED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(CC(=O)N(C)C)c1=O 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410.515 0.151 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835911436 CKFOKBYGRHJPNE-XMSQKQJNSA-N 421.538 0.139 30 20 HCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835919756 OUFDTKDJIDPSDT-UHFFFAOYSA-N 414.466 0.664 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1)C(F)(F)F 1836201891 DEKVVNSXDAVVHI-KRWDZBQOSA-N 416.400 0.766 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1836857781 ZDXYELXBVNPAFX-QAPCUYQASA-N 423.510 0.086 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1837393306 OSYVVJMIWFRXGR-KGVIQGDOSA-N 424.538 0.975 30 20 HCED CC(C)O[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564213 CTZVGBUHMZPVHB-KMYGJPJSSA-N 421.494 0.968 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837952236 OYEOEVLSBNSGNS-HRAATJIYSA-N 417.462 0.199 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)CC2)CC1 1838400788 VLEMPNZOCHNHRM-SFHVURJKSA-N 408.451 0.113 30 20 HCED CN1CCC[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)C1 1838616635 FUEHGUCIJUQDQE-MRXNPFEDSA-N 405.495 0.415 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)n(C)n1)CCO2 1838833060 XHAPAEFHZJAWKW-LJQANCHMSA-N 424.523 0.418 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)CNC(=O)OC(C)(C)C)C2)C1 1839805510 KBUKIAPMXSBKGD-MGPUTAFESA-N 409.483 0.237 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4occc4c3)C2)C1 1840042926 WVBHVRIBXXNVOV-OAQYLSRUSA-N 412.398 0.591 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840163865 QDXKVASTDOKPDY-FCEWJHQRSA-N 401.573 0.739 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840163917 SBDOWEJJYBLBEV-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1840173770 QRQPNMWLERFHOM-OAQYLSRUSA-N 415.446 0.664 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843334602 OPAYHCLQQUSOTM-HOTGVXAUSA-N 402.495 0.634 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1844388095 UTYRIWYFBMQKCL-KRWDZBQOSA-N 414.462 0.292 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845181932 FYELXEDNDKMHBK-LSDHHAIUSA-N 406.483 0.241 30 20 HCED C=CCSCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823810 RIANPLGODWMKKK-UHFFFAOYSA-N 406.464 0.879 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1847806502 ZFBDWZJMUKNKDT-MNEFBYGVSA-N 421.453 0.970 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCNC(=O)c2ccco2)CC1 15527519 MHDRGFAHYKGVOQ-UHFFFAOYSA-N 416.459 0.804 30 20 HCED CCn1cnnc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 46964913 OTKGUJJRMNFKQM-UHFFFAOYSA-N 403.468 0.386 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 55596084 VNECSCFGLZVRTC-UHFFFAOYSA-N 409.445 0.810 30 20 HCED CCOc1ccc(S(=O)(=O)NCC/C(O)=N/c2nc(S(C)(=O)=O)n[nH]2)cc1 64348052 XOULIKZLAJKVAR-UHFFFAOYSA-N 417.469 0.564 30 20 HCED COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 410129410 HVZBLPHFZDHPAW-ZBFHGGJFSA-N 408.480 0.876 30 20 HCED C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 438752596 GOVCTLCVORQSDU-UHFFFAOYSA-N 419.463 0.855 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCO)C2CCC2)CC1 439296420 PMLPOCSXLFDGDX-UHFFFAOYSA-N 406.508 0.238 30 20 HCED C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 445333354 SCLJGSDQVYCMMX-UHFFFAOYSA-N 410.427 0.741 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)CC2)c1C#N 461199549 PRTSRQYNFNCBCA-GFCCVEGCSA-N 423.524 0.072 30 20 HCED C[C@]1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO[C@@H]1C1CC1 467943247 NSPXTQUBLMDCGX-DYESRHJHSA-N 408.462 1.458 30 20 HCED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471028017 KIRZSOGCXXDGNY-AWEZNQCLSA-N 411.462 0.897 30 20 HCED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471050506 OLLMESYCSMCSGI-PBHICJAKSA-N 414.462 0.816 30 20 HCED COC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 475325935 ZDDXYXCBFFTXRP-MRXNPFEDSA-N 405.524 0.248 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 479887314 NSAGRJDIKZUSIM-RDJZCZTQSA-N 408.524 0.698 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 481032863 IVKRQVXNZKQOGM-CYBMUJFWSA-N 416.463 0.987 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 481782143 DIJSJBXIWQLFMN-GFCCVEGCSA-N 411.447 0.722 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 481814656 VLJUZIQEXFVJLE-NVXWUHKLSA-N 408.524 0.794 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(C)c1C#N 483091862 SXRWIMAGFGKKIS-UHFFFAOYSA-N 405.436 0.574 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2C#N)C1 486638116 FHHXKPYPUCKRNR-HNNXBMFYSA-N 401.510 0.619 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 486912504 KAMHDCQKSBMKOI-OAHLLOKOSA-N 410.438 0.161 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2OCCOC)CC1 491051480 OWKOYHUKCOMZHK-UHFFFAOYSA-N 404.467 0.097 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2CS(=O)(=O)NC)c1 494790369 KFSDUVWFYJCMTF-AWEZNQCLSA-N 401.510 0.305 30 20 HCED Cc1onc(CC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1C#N 500611343 SMNQFKWROGPOEW-UHFFFAOYSA-N 416.459 0.785 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 501041530 QJGVZXSGOLNIBD-ZWKOTPCHSA-N 413.478 0.570 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 505618474 FJFPGMPPMDWGQY-UHFFFAOYSA-N 411.393 0.428 30 20 HCED C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508920125 SWAYWAVJUIMOPL-MRXNPFEDSA-N 410.478 0.807 30 20 HCED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)c(OC)c1 509934735 ODCNITJGKZQMDU-AWEZNQCLSA-N 410.496 0.940 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 511233584 JYCBUPZEFPFDNU-UONOGXRCSA-N 401.510 0.953 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CCC#N)CC2)C[C@@H](C)O1 513112805 FQHWXRMNOSNMNZ-HZPDHXFCSA-N 415.560 0.998 30 20 HCED 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CN(CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)CC(F)(F)F 557376481 DIYZZNWWIJPKAR-INIZCTEOSA-N 411.428 0.833 30 20 HCED N#Cc1ccc(NC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1Cl 557712826 CVTPCQQBJJJWKH-UHFFFAOYSA-N 402.842 1.318 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cccc(C)c1C 560427376 VKAYMUZLKDPBGD-UHFFFAOYSA-N 407.499 0.807 30 20 HCED CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561787803 WPQNUUQOWHAGBG-YCRPNKLZSA-N 415.469 0.767 30 20 HCED C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 562474305 HGJDVTDWZGVMBL-YJBOKZPZSA-N 415.494 0.957 30 20 HCED COc1cc([C@H](C#N)NC(=O)c2cc(S(N)(=O)=O)cn2C)cc(OC)c1OC 569630725 VEKWUXGABGAFPF-LBPRGKRZSA-N 408.436 0.693 30 20 HCED CNC(=O)c1cccc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 571369313 UNVSTDMGRNGFIP-UHFFFAOYSA-N 400.460 0.555 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1=O 573833662 RHSDYWXIVAOQRS-MOPGFXCFSA-N 414.506 0.115 30 20 HCED C[C@H](O)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 574776312 SMWUHUXHHNTVMV-WMZOPIPTSA-N 420.535 0.484 30 20 HCED COCCN(CCOc1ccc(F)cc1)C(=O)C(=O)NC1CCN(CC#N)CC1 588123919 OQZRCBCWTRLWKR-UHFFFAOYSA-N 406.458 0.784 30 20 HCED COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccn1 610810015 AVLBYGGNJDJBSU-LRDDRELGSA-N 402.432 0.651 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCCO1 619863275 NMFBNBWPLFMLAZ-ZENOOKHLSA-N 400.480 0.899 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)cc1 682096477 KGYQFCDNJKFHCK-ZDUSSCGKSA-N 408.480 0.169 30 20 HCED N#Cc1ccc(NCCNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)nc1 732993997 TURDPMWQFFSAIR-UHFFFAOYSA-N 416.454 0.929 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)CC1 733148513 BPDUXNXAVIMJIG-OAHLLOKOSA-N 410.540 0.580 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 733150451 JYHOBDPUGDHCEA-UHFFFAOYSA-N 407.474 0.240 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(CCN(C)C)CC2)cc1 733882184 DNPNLZULISEUDM-UHFFFAOYSA-N 406.552 0.602 30 20 HCED C[C@H](CC(=O)N[C@H](C)c1nnc2n1CCC2)/N=C1/NS(=O)(=O)c2ccccc21 742573410 LXCXGCIVHMATNM-VXGBXAGGSA-N 402.480 0.919 30 20 HCED COc1cc2c(cc1OC)S(=O)(=O)N(CC(=O)N(CCC#N)CCC#N)C2=O 750970360 QRQFIBGDUUKNMC-UHFFFAOYSA-N 406.420 0.504 30 20 HCED COC(=O)[C@H](OC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1cccc(C#N)c1 751664402 OIGQTFLUJNDVSO-MRXNPFEDSA-N 422.397 0.883 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 755555715 XQZUIAHDVZWNCU-DZGCQCFKSA-N 415.450 0.860 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758049400 CFHACZYVKJWUDT-UHFFFAOYSA-N 409.467 0.359 30 20 HCED C#CCNC(=S)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 758190200 PFMUGNKWNUXQPI-UHFFFAOYSA-N 401.492 0.930 30 20 HCED COc1ncc(/C=C\C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 775140932 MDBQGTCCQYBZBD-ARJAWSKDSA-N 412.406 0.559 30 20 HCED C#C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CCCO1 775796298 VLSZCVDQAPSKLV-IAGOWNOFSA-N 404.492 0.866 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCO1 776223623 BWPAIBIROIZERE-GDBMZVCRSA-N 422.463 0.792 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cnc(Br)c(Br)c1 777287299 LDQIBKFYVBDDPI-UHFFFAOYSA-N 420.061 0.964 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 777312940 DMUYUKMBQPRKNC-KGLIPLIRSA-N 413.496 0.742 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnn(C)c2C)c1 793383973 FMURNCDTBQVERE-UHFFFAOYSA-N 402.476 0.764 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)c2ccn(-c3cccc(C#N)c3)n2)cn1 798800159 MOPKBAKSMQHPKP-UHFFFAOYSA-N 400.420 0.613 30 20 HCED C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)C 799042143 PDJKWICMFOMSOC-JKSUJKDBSA-N 400.522 0.542 30 20 HCED C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccs2)CC1 802699104 AGMFYURLNMTRJF-CQSZACIVSA-N 408.553 0.753 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C 804183051 MFPTVENKDJRWSP-UHFFFAOYSA-N 416.482 0.585 30 20 HCED CN(C)c1c(C=NNc2ccc(S(=O)(=O)NC3CC3)cc2)c(=O)n(C)c(=O)n1C 807967701 ILFBMUGEFDKQTP-UHFFFAOYSA-N 420.495 0.037 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1)[C@H]1CCCO1 809308817 BDCJBCGICDBBBH-IEBWSBKVSA-N 403.454 0.776 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc1 811833824 UJSXCRLCAXGIAT-UHFFFAOYSA-N 421.353 0.143 30 20 HCED COc1ccc(Cl)cc1C#CCOC(=O)CN1CCN(S(C)(=O)=O)CC1 816409258 HMHOPHJIIJGGPG-UHFFFAOYSA-N 400.884 0.821 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 831422088 UKFBSONVUYAZER-GJZGRUSLSA-N 400.464 0.959 30 20 HCED CC(C)CNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 881448557 RNIYJGHAGJLIAG-UHFFFAOYSA-N 406.508 0.847 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 916890086 DWRWWAYSKGCXTL-LLVKDONJSA-N 403.844 0.607 30 20 HCED CCNC(=O)COc1cccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1116203129 ZCVXEBOZSOSHLS-VXPUYCOJSA-N 400.435 0.734 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 1122413534 RRUSWSVKHGMRJO-LBPRGKRZSA-N 421.413 0.910 30 20 HCED N#C[C@H](C(=O)NCc1ccccc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1122706960 GTPQASVBTZGCMQ-GJZGRUSLSA-N 416.459 0.177 30 20 HCED CC[S@@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297804916 VHMQBLWXZNITTQ-DEXQXJORSA-N 402.528 0.624 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1314993754 PUJZDBDOIPYIHO-MRXNPFEDSA-N 405.466 0.956 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCS(=O)(=O)CC3)CC2)cc1 1318435678 VTMSEYHJKLJVCR-UHFFFAOYSA-N 411.505 0.216 30 20 HCED CS(=O)(=O)C1(COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1345729594 JKWHTIGKQLFVDL-CQSZACIVSA-N 405.432 0.884 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](NC2CCOCC2)C1 1455308587 XKBOLELSGAZYSQ-MAUKXSAKSA-N 420.535 0.985 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nn(C)cc3C#N)cc2)CC1 1457180231 YKCXHQCYGIDQJL-UHFFFAOYSA-N 416.463 0.397 30 20 HCED N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1459131252 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414.514 0.757 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)(F)F 1698060919 NDRDDSCLKMRZOW-UHFFFAOYSA-N 412.376 0.780 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccn(C)n1 1706864870 RMPDBVRZOIPQJX-CYBMUJFWSA-N 406.516 0.604 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCSCC1 1723912199 JGUNELJRDFOISS-KBPBESRZSA-N 415.589 0.675 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1748282943 YBPRHAPMYAYKAY-UHFFFAOYSA-N 420.481 0.960 30 20 HCED CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)COC1 1751304142 RWYZAQBKJLHOSU-UHFFFAOYSA-N 416.507 0.935 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760364966 IIIKZSUOIYIMLZ-HNNXBMFYSA-N 423.949 0.912 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc(O)nc2O)C1 1778005083 QNIUIPVIYDZMJI-XBHMSOGKSA-N 418.450 0.054 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778891970 QVYHOMZJXCCVFL-SWLSCSKDSA-N 412.430 0.876 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1778968584 STWSTLMYGGIJFB-VUCTXSBTSA-N 408.417 0.703 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)COc1cccnc1)CCO2 1779015278 SZGPCJKGZMSDQT-KURUZVKSSA-N 415.494 0.762 30 20 HCED Cc1cnoc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103775 YQEBOEPXBDBLQO-OYPNYCBZSA-N 406.439 0.956 30 20 HCED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CN1 1779133375 ZXALGEPRLALWLC-AEWXRJQFSA-N 402.451 0.055 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343102 CSLRFYSFFMCBDA-YCRPNKLZSA-N 416.478 0.407 30 20 HCED C[Si](C)(C)C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 1779351646 AWAZDNZESUVPNU-WAOWUJCRSA-N 422.646 0.837 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)c1 1780597527 RMACPHMTLROZKK-HXUWFJFHSA-N 409.450 0.335 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1780801874 ACVPDUNISIUQSJ-JXXFODFXSA-N 422.530 0.141 30 20 HCED O=C(/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1)c1cccs1 1781044015 LKWNFNRPFAZENA-LQCMGOAXSA-N 419.503 0.040 30 20 HCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782423417 ZTAPLRRNXIFMOV-GOSISDBHSA-N 401.448 0.483 30 20 HCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)cc1 1783443858 JPIXSSNUZBPYJV-YRPNKDGESA-N 424.501 0.607 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ncccc1C(F)(F)F)CCO2 1783566459 BUIITXRLVDQVDZ-QGZVFWFLSA-N 411.336 0.632 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1784031475 RNPYLSYTPIKVFN-XXBNENTESA-N 424.501 0.847 30 20 HCED O=C1C[C@@H](C(=O)N2CC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CCN1 1784034533 DDUIFSBWMRTPPP-NEXMKYFBSA-N 402.451 0.055 30 20 HCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCc4sccc4C3)[C@H]2C1 1785099241 HGMZKQRTLJTINS-ULQDDVLXSA-N 402.520 1.000 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)CCC1 1785633669 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C=CCSCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 543745406 UZFZTDPTTRGHON-HUUCEWRRSA-N 406.574 0.587 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCc3cn(CCOC)nc32)CC1 544798534 BOETWYYWYBWHPJ-QGZVFWFLSA-N 404.515 0.536 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@H](C#N)C2)c(Br)c1 549219817 UZRVBQMIKVGFCD-SECBINFHSA-N 409.283 0.766 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCN(C)c2ccccc2)CC1 550024684 FMBRZJOGTWYUAM-UHFFFAOYSA-N 401.511 0.076 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1ccc(C#N)nc1)C2 551202132 XOLPOBQKALTFEO-UHFFFAOYSA-N 406.489 0.951 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN(C2CCC2)C1 551277388 HWUOWWRUHIQGSW-MRXNPFEDSA-N 421.505 1.469 30 20 HCED C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCS1(=O)=O 551823401 WGGZTARQLCJVRD-GWCFXTLKSA-N 421.866 1.028 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 553768563 UQLLPCXCBHVDQW-WMLDXEAASA-N 410.492 0.683 30 20 HCED CN(Cc1nc(-c2cccnc2)no1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 555033342 QDFHMWHEFMPTHG-UHFFFAOYSA-N 412.431 0.940 30 20 HCED C=CCN(C(=O)NCCNS(=O)(=O)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 557720969 FGXRHSCZFJVRAC-AWEZNQCLSA-N 407.500 0.860 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccccc1 558947895 XEQJEWQXJOAEPL-ZBFHGGJFSA-N 404.496 0.860 30 20 HCED CN1CCC(N(C[C@@H](O)CC(C)(C)C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 576670361 QKYGNXFAVGETSL-DLBZAZTESA-N 402.561 0.649 30 20 HCED COc1cc(CCNC(=O)C(=O)NC2CCN(CC#N)CC2)c([N+](=O)[O-])cc1OC 585693899 CRZXPPPZRFORED-UHFFFAOYSA-N 419.438 0.375 30 20 HCED CCOc1cccc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)n1 588125126 XXOGOMNCJXWUNH-UHFFFAOYSA-N 400.483 0.233 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)NCC2CCN(CC#N)CC2)cc1OC 589431188 UCRZDINAIXFBDF-UHFFFAOYSA-N 410.496 0.334 30 20 HCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 590998575 AHGMJGMSGVBSEN-UHFFFAOYSA-N 411.483 0.615 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@H]4CCCO4)CC3)CC2)o1 610000699 ROOIVZNLFXQUMG-QGZVFWFLSA-N 402.499 0.300 30 20 HCED N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)ccc1Cl 615315189 HOUVCPVNDHGDHI-MRXNPFEDSA-N 405.886 0.673 30 20 HCED CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 619808697 GOQNHCYFFNAGEE-UHFFFAOYSA-N 419.511 0.677 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 728571124 CEUTTWDSBPNYGA-UHFFFAOYSA-N 405.462 0.049 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)cc1 731127118 UKJHHEMYALIRBH-INIZCTEOSA-N 400.479 0.696 30 20 HCED CCOC(=O)C1=C(C(C)=O)[C@@H](c2ccc(OCC(=O)O)c([N+](=O)[O-])c2)NC(=S)N1 731595765 XYDBNUBEKXQSEK-CQSZACIVSA-N 423.403 0.983 30 20 HCED COCCN1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742585128 GLTIHDKQNBBAFZ-AWEZNQCLSA-N 408.524 0.731 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)CC1 742642958 VOFLBNPLUUHLCT-HXUWFJFHSA-N 410.518 0.770 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C#N)o3)c2=O)c1 743728754 WHKOHXROISZRQB-UHFFFAOYSA-N 400.419 0.594 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 746249954 MCRQGNCAYGKUKV-ZREAOVPFSA-N 412.490 0.963 30 20 HCED CN1CCN(CCCNC(=O)C(=O)Nc2cnn(CC#N)c2)[C@H](c2ccccc2)C1 746355037 AZOZTRFHBXGMFZ-IBGZPJMESA-N 409.494 0.840 30 20 HCED CN(C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C#N 747980803 BFJXOFIUAONOGP-UHFFFAOYSA-N 409.464 0.625 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCNC(=O)C[C@@H]2c2ccccc2)c1=O 748790097 KWVJCOKOLXUXDE-QGZVFWFLSA-N 411.462 0.064 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968966 RFKBXTVOBVVACG-RTBURBONSA-N 410.438 0.484 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OCC)c2)c1=O 758077079 ONJYXALKVLWKJF-UHFFFAOYSA-N 423.494 0.304 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)cc2C)c1=O 758079478 LAKSDSUIPIUIAU-UHFFFAOYSA-N 413.474 0.646 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758641763 CALZVETXCXZOAJ-UWVGGRQHSA-N 416.481 0.967 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)s2)c(=O)n1CCOC 762991551 UZTZYVGUFQQJQM-UHFFFAOYSA-N 417.434 0.886 30 20 HCED CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 764891464 UGNDITPZAUMUBE-UKRRQHHQSA-N 408.480 0.962 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)Cc2ccco2)CC1 767513698 YKKGMIOQINCRQX-UHFFFAOYSA-N 417.443 0.770 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C[C@H]2CCCO2)CC1)c1cc[nH]n1 772275223 AUAFFSLPCZEHPR-OAHLLOKOSA-N 407.471 0.453 30 20 HCED CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)Cn3cnc(C#N)n3)C2)C(=O)C1 777396088 HKUQXQRGRAXJKP-AWEZNQCLSA-N 417.470 0.220 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC 783350650 OEPXNEIEOUIWTA-UHFFFAOYSA-N 411.480 0.443 30 20 HCED COCCNC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 783673395 NLAZMGOLZNXYQG-WFASDCNBSA-N 402.407 0.458 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@@H]1CO 786010255 HXYGXCWEJRMYJV-AWYIAAKZSA-N 422.507 0.667 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H](CC)c1ccccc1OCC(=O)NC)[C@@H]1CCCO1 788065900 GHACBAZTVFYJJC-RYRKJORJSA-N 401.463 0.676 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 789331990 LVUABBJNPFGIPB-RBUKOAKNSA-N 422.551 0.533 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1NCCNS(=O)(=O)c1ccc(F)cc1F 799327236 QGIPBROFMUULHJ-UHFFFAOYSA-N 416.431 0.874 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C(=O)NCCF 800599042 IPHPBXZDODEKFR-JSGCOSHPSA-N 412.487 0.730 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)[C@H]1CCCO1 809312803 PIBLTWZZABAKLA-YESZJQIVSA-N 402.426 0.845 30 20 HCED CCc1ccc(C#CC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 814484913 PEMKINUUGBXVMS-UHFFFAOYSA-N 404.536 0.237 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 815861512 MCPGEVDRJNKJRE-UHFFFAOYSA-N 413.522 0.361 30 20 HCED C#CCN(C)CCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 818599423 QEBHEIRSNFNPKZ-UHFFFAOYSA-N 420.535 0.224 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 914900274 WVVITLGRSIJSRO-TXKKKEFDSA-N 414.528 0.764 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2ccc([N+](=O)[O-])n2)cc1OC 917427147 TUHUSVACBAJAFF-CYBMUJFWSA-N 401.379 0.876 30 20 HCED CN1CCN(C(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 1160747227 MFOMYVUKQNTVTI-FQEVSTJZSA-N 407.515 0.760 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 1252074299 QSQMXGJMGQSABI-UHFFFAOYSA-N 409.493 0.312 30 20 HCED CS(=O)(=O)C1(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CCC1 1302426221 VGVDQFMJOKIFMB-CYBMUJFWSA-N 403.468 0.431 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1303004673 ROGWAQOWRURREI-CYBMUJFWSA-N 410.413 0.966 30 20 HCED CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1309044760 PDERJPXGKDLXHG-UHFFFAOYSA-N 415.313 0.763 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1318736228 REVNAPFBTLPDIW-HNNXBMFYSA-N 410.434 0.509 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 1321325553 LYBXLGMIQHNSOJ-AAEUAGOBSA-N 416.525 0.149 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccn1 1541927824 QLBPKYCQGKNPCG-DYVFJYSZSA-N 407.475 0.968 30 20 HCED COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1586551263 SWUPBLPHSMCMKY-OAHLLOKOSA-N 411.418 0.767 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1626657932 JBCBDMYNSQNNHQ-DZKIICNBSA-N 414.553 0.468 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1638203234 LAUNZNRWKFAIGW-HNKHHVNMSA-N 408.499 0.917 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)CC2)c1C#N 1675180576 MFEZIPZTTMYILJ-CYBMUJFWSA-N 411.392 0.827 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCSC1 1706850799 WTLQLNPHRKNIFS-HUBLWGQQSA-N 402.546 0.495 30 20 HCED Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(C)(=O)=O 1729588300 HCWNDPWEPOLOHF-HNNXBMFYSA-N 403.512 0.505 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCn1cncn1 1741931950 WCPQGITZWBLNGE-BBRMVZONSA-N 407.504 0.310 30 20 HCED Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)s1 1751869485 MHLWSSGRPZPFQS-CYBMUJFWSA-N 402.484 0.532 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)C(C)C 1761235658 HCPJONQAVVGZTG-JXFKEZNVSA-N 403.531 1.000 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC)NC(N)=O)C1 1777985189 ZLMXYEOSAFMYFX-GXYOHSSGSA-N 424.542 0.520 30 20 HCED CC(=O)O[C@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1778796670 SWDCMAILWANCEI-VQHJOYQZSA-N 422.526 0.876 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1778968929 ZNJGBYDWGZGBOK-YWZLYKJASA-N 406.483 0.445 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccnc1 1779015051 OVIGJRHZIOTEKX-HPNSBFNSSA-N 402.499 0.746 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067861 PYRUJMUSQXGCGQ-JWIKTPOESA-N 417.506 0.555 30 20 HCED 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30 20 HCED N/C(=N/OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccnc1Oc1ccccc1 109846603 KVKYHELMMJFWHJ-CYBMUJFWSA-N 404.448 0.814 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 426808196 QJVKNKJTKXYWTQ-UHFFFAOYSA-N 415.435 0.644 30 20 HCED CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444601575 WUBNIGCHFQKCBQ-UHFFFAOYSA-N 423.521 1.189 30 20 HCED COC(=O)c1c(F)cccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446523277 NNTYUATWINDKMY-UHFFFAOYSA-N 406.414 0.625 30 20 HCED COc1cc(CNS(=O)(=O)c2ccc(C#N)cc2OC)ccc1OCC(N)=O 463668060 UQAHDJJXMOPIJH-UHFFFAOYSA-N 405.432 0.918 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465497141 SXMLOJMUCJZQAM-JTQLQIEISA-N 408.465 0.491 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)CC2 473865259 PYPXNOVGUXSEES-SJORKVTESA-N 408.462 0.918 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C1CC1 477032693 JELPWHDYUGUACR-NSHDSACASA-N 419.528 0.969 30 20 HCED CC[C@@H](C#N)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 478819347 ZZCLSXXMKVORRV-INIZCTEOSA-N 424.461 0.473 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)cc(C(=O)OC)c2F)CC1 484005992 BZHGPLNPJREYQA-UHFFFAOYSA-N 424.404 0.136 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)c1 484009079 GQHNZKDZKDAOIZ-UHFFFAOYSA-N 410.361 0.842 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)N1CCCCC1 484846608 GQGCDYUURAAMEQ-AWEZNQCLSA-N 409.450 0.654 30 20 HCED CCn1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc2cc(C#N)ccc21 490743214 GEVOBVXLPOQOJX-UHFFFAOYSA-N 406.406 0.314 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 500388072 YDTSMZPSYIKTBB-HZPDHXFCSA-N 421.523 0.739 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504497416 UGLFXSZQTWVONB-CQSZACIVSA-N 403.487 0.103 30 20 HCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 507542259 AYYZUSNARNZNAU-HZPDHXFCSA-N 405.524 0.764 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCCCC#N 510311606 XGMJEHLFQBWLTO-UHFFFAOYSA-N 408.480 0.765 30 20 HCED C[C@@]1(C[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)NC(=O)NC1=O 510484392 FYDBCDZRLVDRCZ-HWPZZCPQSA-N 407.408 0.608 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 512778215 DLUGEZPVGUATGD-UHFFFAOYSA-N 424.460 0.864 30 20 HCED CNC(=O)CN1CCC(NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513992320 PMXJKOVCIHZARZ-SZNDQCEHSA-N 410.478 0.252 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1=O 514521196 LRYKMBWWAZEGSN-ZDUSSCGKSA-N 421.335 0.725 30 20 HCED Cc1nsc(N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 515022570 MJARBQIPBBZGJH-UHFFFAOYSA-N 405.505 0.862 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2F)c1=O 523972719 PZWNDAVEFIRTMX-UHFFFAOYSA-N 401.463 0.739 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 533082105 HGJUAOGPMZUTFP-SNVBAGLBSA-N 402.379 0.248 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)c3cc[nH]n3)n2)c(F)c1 542059761 HJZFRPOHRCJDQF-UHFFFAOYSA-N 410.369 0.091 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCO2)CCO1 549494773 CCZFOHPSRLDNRG-SJORKVTESA-N 407.438 0.829 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)cc1 549732862 UZSBIRMXZBBNRN-ZDUSSCGKSA-N 405.436 0.987 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)CC2 555770710 NIKWZGVHBBUCGN-MRXNPFEDSA-N 420.491 0.052 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)C2)nc1 556327732 VKPOUIDEYGIYOH-MRXNPFEDSA-N 409.402 0.436 30 20 HCED COC[C@@H](C)CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 557000766 JTDZPMHXGNDVKO-ZDUSSCGKSA-N 401.423 0.854 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 557769851 TZFQLJOLMBSUMA-KRWDZBQOSA-N 414.572 0.464 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1C 558650384 CEEDXORKVCATGH-UHFFFAOYSA-N 410.434 0.782 30 20 HCED N#CCCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3Cl)[nH]2)[nH]1 566591817 PEUPCHPRUCVXSE-UHFFFAOYSA-N 408.809 0.929 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1=O 568063439 HLCOXCFOYOLBES-NEPJUHHUSA-N 403.395 0.260 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)Cc1ccc(F)cc1 573474786 LXABFXDVSZJOGS-UHFFFAOYSA-N 424.480 0.989 30 20 HCED CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577555685 PZTFZKDJJAHBPB-MOPGFXCFSA-N 411.506 0.574 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccn(C4CCCC4)n3)CC2)c1C#N 582205184 BFQTUXHTCXYIBB-UHFFFAOYSA-N 424.509 0.877 30 20 HCED CCn1cc([C@@H]2C[S@](=O)CCN2CCS(=O)(=O)c2ccc(C#N)cn2)cn1 582629327 DSUDQUQFSUCPBE-YHAMSUFESA-N 407.521 0.749 30 20 HCED CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 589119954 VWRXDFVRWJGHBW-INIZCTEOSA-N 422.493 0.968 30 20 HCED Cc1nc(=NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n(-c2ccc(C#N)cc2)[nH]1 610389210 LZRCDWSGXPGGPX-LMSBXDPUSA-N 420.429 0.360 30 20 HCED N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611653517 BWYHDIALHHAQRM-XFMPKHEZSA-N 408.436 0.527 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cn1 613105489 XQUASGYEJPTIDT-SJORKVTESA-N 409.450 0.135 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2ccnn2C)c1=O 618433476 CLBDBFVMLFIOBE-UHFFFAOYSA-N 415.519 0.240 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)CC3CCCC3)CC2)o1 725989653 UWPLZWNZSVEEIG-UHFFFAOYSA-N 417.466 0.743 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(OC)cc2OC)C1=O 726042782 GLUNHAPOFBSHBK-LLVKDONJSA-N 419.390 0.551 30 20 HCED C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 727655317 DHOWRMXVBWQIEW-NRFANRHFSA-N 405.414 0.741 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(C)c2)c1=O 729671034 BMYYBLNZWJIEDC-UHFFFAOYSA-N 401.463 0.785 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 730073702 ROGKBBDTVRDDBO-HDOZFUISSA-N 419.463 0.189 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C)COC2)c1 733050609 PXMXIRCCTCGKBO-QNGOZBTKSA-N 408.480 0.591 30 20 HCED CN1CCC[C@@H](N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)C1 738209394 AVVHBDHSXVLGFH-KNQAVFIVSA-N 410.522 0.995 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 743880406 BFISVXUDLNVOFB-UHFFFAOYSA-N 419.434 0.871 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 743902914 JIQNFCZJBHQVEL-UHFFFAOYSA-N 419.434 0.881 30 20 HCED C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(C#N)cn1C)c1ccc(S(N)(=O)=O)cc1 751732001 YUGZXPYWLVAMAC-NWDGAFQWSA-N 404.448 0.967 30 20 HCED CC[C@H](C)OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 751880330 XTJHVSDORMENJI-HNNXBMFYSA-N 423.491 0.749 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 755494859 WLNBGMJRPUJVFN-VIFPVBQESA-N 410.370 0.980 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)c(C)cc2C)c1=O 758082135 BIHSWJUUFVPMQJ-UHFFFAOYSA-N 409.511 0.734 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2CCCS2(=O)=O)C1 758431750 RFTXXCFNKZMQNM-QWHCGFSZSA-N 401.489 0.080 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758775003 IPPHMUYWYMSCRV-HRCADAONSA-N 411.503 0.080 30 20 HCED C[C@@H]1CN(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCO1 762645188 XRLGVWNSADEDPN-OAHLLOKOSA-N 408.524 0.732 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)c2cccnc2N2CCCCC2)C1 762712861 PHIILTHXYLPGAF-MRXNPFEDSA-N 402.499 0.836 30 20 HCED C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 770801674 LLGWLXCCAQEYCQ-GYWFVORLSA-N 422.507 0.881 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c(F)c(F)c(F)c(F)c2F)c(=O)n(C)c1=O 771896852 JSTSDZVXVWIDTH-UHFFFAOYSA-N 412.296 0.092 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 773298832 PVSRMALVGIEFHP-UHFFFAOYSA-N 411.505 0.132 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC(=O)CSCC#N)s1 779233804 ITUGUVGOSGFHTI-UHFFFAOYSA-N 411.552 0.292 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@H](C(=O)NC)C3)nc12 781574966 FZGVWDSOJNBBBU-HNNXBMFYSA-N 414.491 0.770 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 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HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC#N)CC2 1819855256 LLIJDTIBZFJAGA-WCQYABFASA-N 408.436 0.464 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822527838 WGHITTPHSLXIOR-HIFRSBDPSA-N 415.450 0.918 30 20 HCED C[C@H](C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1)N1CCN(C)CC1 1830242560 OQMWZLJQVARYOX-MJGOQNOKSA-N 418.538 0.330 30 20 HCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)o1 1831209000 FOHZMWVZDFDQKY-HXUWFJFHSA-N 402.451 0.224 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832354915 DMURKHLXNGVHEP-KKSFZXQISA-N 418.494 0.148 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832426599 YKOCBIMFJYQQCK-JOCHJYFZSA-N 419.522 0.649 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)s3)CCO2)C1 1833213621 WHKGKNXPJWJAFI-KUHUBIRLSA-N 410.467 0.996 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2 1835188947 ZCNMIZFUGGWNHZ-HSZRJFAPSA-N 412.486 0.921 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1835339464 OLQJKXGQEIWGQW-JOCHJYFZSA-N 408.458 0.861 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835615684 ZPSLKRQQJOTNQH-HSZRJFAPSA-N 413.518 0.883 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 1836641398 FNAYSZPNNWOHIS-KKSFZXQISA-N 421.494 0.333 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3ncccn3n1)CCO2 1836873712 FORNWBSYURWAAM-NRFANRHFSA-N 411.462 0.603 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1837399657 YQWKIVFGGJNMSE-LAUBAEHRSA-N 421.494 0.880 30 20 HCED CCn1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1C 1838148043 QVJNIPDWMGUJEQ-HXUWFJFHSA-N 401.467 0.585 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ncccc34)C2)C1 1840042715 KJAMAEDZLYOVGP-JOCHJYFZSA-N 423.425 0.393 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ccccc1[N+](=O)[O-])CCO2 1840111717 GSYGKACXHGBLIX-LJQANCHMSA-N 419.459 0.777 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840165830 LLKZCKSTKIPHER-YJYMSZOUSA-N 412.483 0.706 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1840176546 MLGBUUQSHHFOHQ-QFIPXVFZSA-N 415.490 0.839 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4CCC(O)CC4)CCO3)C2)CCC1 1840276449 NWAGZUGGBQXNSX-MYKUNDNFSA-N 405.495 0.688 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccccc1F)CCO2 1840547277 UBWAADZOQFNUEV-NRFANRHFSA-N 418.421 0.303 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1 1840814534 OJKQTWAKENLYBS-HXUWFJFHSA-N 415.450 0.249 30 20 HCED Cc1nc(C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)c(=O)[nH]c1C 1842919295 PXGAUTYVUVDSFJ-UHFFFAOYSA-N 400.483 0.486 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC3(CCCN3C(=O)c3n[nH]c4c3CS(=O)(=O)C4)C2)c1 1843130702 JHQCIJNABFBBRD-UHFFFAOYSA-N 414.447 0.169 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H](O)c2cccc(Br)c2)C1 1845042197 DZOZAQCZFHKWBB-INIZCTEOSA-N 421.247 0.774 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(C#N)CC1 1847639860 VNDVUAAXNUWKNA-ILXRZTDVSA-N 406.483 0.768 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CNC(=O)O2)c(C(F)(F)F)n1 1847848788 ZYFJYXUNUXPGEJ-AVGNSLFASA-N 423.351 0.896 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)C#N)c(=O)n2Cc1ccccc1 432205000 WKTBDNVRLKLVNZ-AWEZNQCLSA-N 410.434 0.083 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 439542867 CSZRELPWYDQUAS-CYBMUJFWSA-N 408.480 0.677 30 20 HCED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 440698213 YEVXVLJHROUQFN-UHFFFAOYSA-N 405.842 0.785 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccn4)c3)CC2)c1 444503847 FSSIMBWKGGHMTI-UHFFFAOYSA-N 403.406 0.216 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1C 461366717 PTCWVRANHHYHFN-UHFFFAOYSA-N 421.906 0.765 30 20 HCED COC(=O)C[C@]1(NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOC1 464606949 JMFOOCAPILMUIT-GHTZIAJQSA-N 418.469 0.846 30 20 HCED COc1ccc(NC(=O)Cn2ccc(C)c(C#N)c2=O)cc1S(=O)(=O)N(C)C 467209811 YJHGHRCXAVTMTJ-UHFFFAOYSA-N 404.448 0.926 30 20 HCED C[C@H]1CN(CCN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 468838533 GFDWBIUJRYJCMU-XHSDSOJGSA-N 408.524 0.793 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)cc1 469932106 CZVUPVJIQJKUOD-UHFFFAOYSA-N 408.480 0.634 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(O)(CC#N)C3)CC2)cc1 473369007 MKNKFCOGWLBJBI-UHFFFAOYSA-N 407.492 0.973 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C 480154575 KFVGJZKDIJENLX-UHFFFAOYSA-N 409.870 0.895 30 20 HCED CNC(=O)Cn1nc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C 487224694 AXERJFVLCDRJRQ-INIZCTEOSA-N 409.450 0.732 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2CC)CC1 489219177 CKBWAJZTIVFGNW-UHFFFAOYSA-N 416.572 0.967 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1 489896244 DJWHFUZPEGGYJZ-CYBMUJFWSA-N 404.489 0.637 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1=O 499080070 KWRVWXTXLLSVHZ-UHFFFAOYSA-N 402.426 0.837 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(C(N)=O)c3)C2=O)cc1 505263407 CWSHQRMLFHPSOB-QGZVFWFLSA-N 405.414 0.907 30 20 HCED CCOC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 506613318 KJYDCNZTLZWXAW-UHFFFAOYSA-N 422.507 0.590 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 507024361 OQIVJGILHRYSEE-SNVBAGLBSA-N 424.405 0.213 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n1 508681464 VRCYCEJGLINBQH-GFCCVEGCSA-N 402.377 0.653 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 508751680 BDMGVAHKNKNMAB-UHFFFAOYSA-N 401.444 0.370 30 20 HCED CCOC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCCOC1 511666967 PQBVYGAVDQNBSR-DOTOQJQBSA-N 423.491 0.967 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)N2CCSCC2)CC1 512467845 GKIQVFOMYKTPJM-MSOLQXFVSA-N 407.584 0.719 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CCN(C)CC1 530318004 FTIUIXLRBKKNRN-UHFFFAOYSA-N 414.535 0.203 30 20 HCED Cc1ccccc1C(=O)NC1CCN(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)CC1 534977154 ULOMNSPYVIKWSH-UHFFFAOYSA-N 409.446 0.148 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3ccc(C(N)=O)nc3)n2)c(F)c1 543003116 FDVPPDOIHYLBRA-UHFFFAOYSA-N 407.365 0.632 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cn1 543676463 NTTSMPZLCKEXEV-UHFFFAOYSA-N 400.420 0.796 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CNc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 544639644 HNEIIPDWPRCDOD-ZDUSSCGKSA-N 414.466 0.600 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)no2)C1=O 544913076 ACSRAOMKPJMFLI-LJQANCHMSA-N 424.373 0.268 30 20 HCED CN(C)CC1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCC1 546083580 GIHBATYBIGAIJP-UHFFFAOYSA-N 409.494 1.375 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@@H]21 550660047 IQMCNSWHJUYWNM-CPNUEBSUSA-N 405.458 0.743 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(C#N)cc1 552552535 HNAUTIKDTADOQI-OTWHNJEPSA-N 421.519 0.957 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCc4ncnn4C3)C2)c(F)c1 553538762 RFPDIPJYDBXLJQ-GJZGRUSLSA-N 411.441 0.505 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1CCNC(=O)C1 557844356 WZABPCCEJSAEHQ-UHFFFAOYSA-N 401.286 0.421 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(OCC)c2)CC1 558114502 RTOBIROOCUUWGL-UHFFFAOYSA-N 418.494 0.157 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)CC1 559526604 XWZFXYZYRXSXCL-GOSISDBHSA-N 404.511 0.844 30 20 HCED C[C@@H]1CN(C[C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 572413075 MQXSTYYRGHSGMB-JFIYKMOQSA-N 420.535 0.937 30 20 HCED C=CCOC[C@@H]1NC(=O)N(Cc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1=O 583016570 YOHBXMXDIIVUHE-RDJZCZTQSA-N 423.491 0.767 30 20 HCED COC(=O)C[C@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 588214496 HDVKNEPDODUODI-JKSUJKDBSA-N 406.508 0.721 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cccc(CO)c3)C2=O)cc1 588869977 DHBHJRALCIEFSC-IBGZPJMESA-N 406.442 0.584 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 589884377 GVPGLTPUTHTRJC-LJQANCHMSA-N 413.526 0.191 30 20 HCED COCCn1nnc2c1CCN(C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2 590083087 NXVCTZPJPKQPJU-UHFFFAOYSA-N 410.482 0.928 30 20 HCED N#Cc1ccc(N2CCC(NS(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)nc1 608981420 JMRWYPSXJQPHLS-UHFFFAOYSA-N 410.463 0.876 30 20 HCED COC(=O)C1CCC(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 610531462 PZHPNYULFIKWLY-UHFFFAOYSA-N 410.434 0.985 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 611576783 CDQLRUDMDYUENE-UHFFFAOYSA-N 411.532 0.690 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 612252964 IXTZLKLCAYNUHA-MSOLQXFVSA-N 416.478 0.580 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 617038249 XRHHFPPVDXSHKN-SJORKVTESA-N 419.507 0.382 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 619760921 XGSHVTORLVJUOO-GPANFISMSA-N 405.480 0.039 30 20 HCED CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 619849391 XJBOPBIJQZYCLL-CJNGLKHVSA-N 400.480 0.709 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 672356768 LLAZGEPESNVFCK-QGZVFWFLSA-N 413.522 0.637 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)c1 684852826 QXDFHDCSZUJEQC-UHFFFAOYSA-N 404.496 0.712 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cc2c(C)[nH]c3ccnn3c2=O)cc1 729187213 WALVYZNUUNDWRC-QGZVFWFLSA-N 407.430 0.950 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nc(N)nc(N)n1 730028519 CGLWEOCSHDNKJD-IBGZPJMESA-N 409.406 0.244 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 741141001 YUXSEXVFUCGNIO-OAQYLSRUSA-N 412.534 0.561 30 20 HCED N#Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1N1CCC(O)CC1 743835233 POEMMPVMYOGOPF-JYBIWHBTSA-N 424.457 0.620 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1sccc1C#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745440758 LCUHKZMOWPTWQF-QGOIZSIMSA-N 403.416 0.652 30 20 HCED C#CCNC(=O)CN1CCN([C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 745942492 KTODYWHEULHAKI-HNNXBMFYSA-N 404.492 0.007 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)CC1 746504059 XCQZWQLQBHPUBV-SFHVURJKSA-N 415.513 0.548 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)CC1 747737745 FYLZKUPNADABCM-JOCHJYFZSA-N 410.474 0.750 30 20 HCED Cc1c(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 748416628 GLEFGNBKCVWFLL-GFCCVEGCSA-N 421.413 0.996 30 20 HCED CC(C)(C)[S@](=O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 749649309 QTNGFCSSIKBBBF-MUUNZHRXSA-N 402.480 0.800 30 20 HCED CN(c1ccccc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(C)(=O)=O 758260577 MFSKKPGXMMKAPZ-NXVVXOECSA-N 407.452 0.730 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC2CCS(=O)(=O)CC2)cc1 759497148 KQGDJIZIJNDZBK-UHFFFAOYSA-N 400.478 0.860 30 20 HCED CS(=O)(=O)NCCNC(=S)N1CCN(c2ccc(C#N)cc2Cl)CC1 766523052 RTYCVWQBDVBECC-UHFFFAOYSA-N 401.945 0.757 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680003 PRRLMBDRHPPSMS-ACJLOTCBSA-N 406.464 0.823 30 20 HCED COC(=O)Cn1cc([C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 770702269 PJQSZCHQWTZPJG-NEPJUHHUSA-N 421.435 0.294 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1)c1cc[nH]n1 772299310 JDKGKPSUTULXCO-UHFFFAOYSA-N 422.463 0.756 30 20 HCED C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 780231498 ARXIIYSGTLATBP-WJULSAIHSA-N 422.507 0.667 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NC2(C#N)CCC2)[C@@H](C)O)cc1C 784186046 JNTKUZQXQSMVGO-RHSMWYFYSA-N 423.491 0.437 30 20 HCED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCC1 784194092 FRHMHAZUFKXGGK-UHFFFAOYSA-N 423.447 0.232 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)n1 789789201 SAEWQEYYYWGLDJ-UHFFFAOYSA-N 417.853 0.882 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 795815728 CSMBBBYUEGVPEO-SFHVURJKSA-N 411.462 0.016 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C1=O 804265126 HWDDQWODTBOSDG-CABCVRRESA-N 408.499 0.747 30 20 HCED C#CCN=c1nc(N2CC[C@@H](N3CCCC3)C2)[nH]c(N2CC[C@@H](N3CCCC3)C2)n1 804423843 AKZPFCPASRIKBW-RTBURBONSA-N 410.570 0.688 30 20 HCED CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC(=O)NCC#N 804821062 WLEJIGWNUUSMCW-JQVXPOPVSA-N 410.521 0.454 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CCCO1 809305514 FCNOUWLCZBEIIL-IEBWSBKVSA-N 401.438 0.974 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)Cn1ncc2ccccc2c1=O 816129669 HOMFIHZGGQNHRF-UHFFFAOYSA-N 413.371 0.681 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C)c2)c1=O 837370897 YTAWEDXSIYCWNA-UHFFFAOYSA-N 417.535 0.345 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c1 904464546 MVPCDKXEAAGNJD-UHFFFAOYSA-N 406.406 0.789 30 20 HCED COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nc1 915377741 GRUCNBQXRNYOGT-UHFFFAOYSA-N 413.390 0.542 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(CCOC)nn1 996400602 OVSFJPTVGFVURD-RCMKLKEOSA-N 403.483 0.767 30 20 HCED N#Cc1ccc(CCNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1252977985 YAMLFVAEHJHNTQ-GOSISDBHSA-N 406.508 0.937 30 20 HCED N#C[C@@H](C(=O)CO[C@@H]1CCOC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1263291220 PHWLERFKFRVBQZ-SJORKVTESA-N 402.407 0.758 30 20 HCED CC(=O)NCC(=O)N1CCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 1302235901 XNOZVVQVPYMMBL-UHFFFAOYSA-N 416.482 0.268 30 20 HCED Cc1cccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c1Br 1309696581 MUNWMOFBKHKJDW-UHFFFAOYSA-N 413.253 0.870 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1317982605 ZWHNRGMZYOZXGS-UHFFFAOYSA-N 402.499 0.943 30 20 HCED CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@H](C#N)C1 1318361770 DQXNHDUUWTWGPK-HUUCEWRRSA-N 413.883 0.624 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1321260046 VZFLKBDVOAWUFK-ZDUSSCGKSA-N 408.546 0.028 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1325284247 VQYNABYGZGYZRC-DVEDPGPFSA-N 412.450 0.398 30 20 HCED CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1541013548 JOTMYJNIXHPCBV-IAGOWNOFSA-N 409.450 0.965 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1 1624912657 KSWHSLHAHJBWEB-KRWDZBQOSA-N 424.436 0.415 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCc3c(C#N)cccc32)c1 1643198984 JUVMYELTMBKXDR-UHFFFAOYSA-N 419.484 0.829 30 20 HCED N#Cc1cc(F)ccc1N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 1659831844 PRIDAIWZWZOJAW-UHFFFAOYSA-N 409.469 0.958 30 20 HCED CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1695056035 IWXOUTCYPRVFOR-HOCLYGCPSA-N 400.487 0.960 30 20 HCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1709909353 LNGNYHTYGULFAI-UHFFFAOYSA-N 416.507 0.776 30 20 HCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1728265447 MVVCPECLVIRSOC-AWEZNQCLSA-N 413.482 0.907 30 20 HCED COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1730761173 KLEHKIYBVJYOKW-SFHVURJKSA-N 420.495 0.256 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760691954 VQWYSICNJILKTF-ZIAGYGMSSA-N 406.516 0.556 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1767575058 JQWUXXXLCFTPEB-CYBMUJFWSA-N 419.511 0.184 30 20 HCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)cc1 1768745423 WIBXYQXVZWBDOV-XLIONFOSSA-N 415.450 0.746 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CC[S@@](=O)CC)C2)C1 1778819683 FKFNXXNCHPNTAT-VKGTZQKMSA-N 414.524 0.484 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1779138253 PQJGGFOAUPVTKV-POKCZJJJSA-N 418.479 0.439 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1779139017 JBYBYSLRPVQLDZ-BADMMEFNSA-N 423.491 0.106 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779139156 PMDCUPYVTDQQKC-NXFFSXPPSA-N 416.394 0.474 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1779590184 PSTBVCRVBIBPMO-OPAMFIHVSA-N 423.473 0.954 30 20 HCED Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)n(C(F)F)n1 1780164511 ICFNOKGSVHATGM-AUUYWEPGSA-N 424.404 0.802 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4nc5ncccn5n4)CCO3)C2)c1 1780333965 COYTZFMEWSUFKP-IBGZPJMESA-N 406.406 0.081 30 20 HCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1781690999 XJAMGFHMONPKNQ-NZCGUCNHSA-N 414.462 0.140 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2 1781799277 KGNKMKTXDLGJRI-PMUMKWKESA-N 417.453 0.774 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccncc1=O)C2 1781803776 LMVLEVPSPWTAIE-DNVCBOLYSA-N 424.448 0.969 30 20 HCED COC(=O)CSCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782175435 VEEOFEBQQUSMLA-OGHNNQOOSA-N 404.554 0.725 30 20 HCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(=O)Nc1cccnc1)C2 1782184133 LHODYWWLTBEYAV-ZXYWRSMDSA-N 406.508 0.852 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1783106313 BPNKQDQKVIENKP-XFQAVAEZSA-N 415.494 0.637 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CCC)NC(C)=O)C1 1783184737 PRDFYZXLJFPJEJ-WGQQHEPDSA-N 421.538 0.843 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccoc1C(F)(F)F)CCO2 1783561674 FNESYWCJAIFKBK-MRXNPFEDSA-N 400.309 0.830 30 20 HCED C=C(Oc1ccccc1O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562008 XQBVQBRARUDKDG-FQEVSTJZSA-N 400.387 0.203 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)cn3)C[C@@H]21 1784483001 XOLLWXHMOCJJKJ-MRHSLFKSSA-N 401.463 0.722 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4ccnc4c3)C[C@@H]21 1784483596 CVIZRVLWEBMFIE-BVBHFADKSA-N 410.474 0.966 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)C(C)=O)C[C@@H]21 1784492410 LPAYGTLDLWTTHX-BVBHFADKSA-N 409.527 0.816 30 20 HCED CC(C)c1csc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n1 1785503200 YZHDBGIOJCGJPO-YDHLFZDLSA-N 405.476 0.948 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785519439 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CN(C)C(=O)Cn1cnc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 443369707 ZSYCZJLWJWMNPX-UHFFFAOYSA-N 413.257 0.801 30 20 HCED CCN(CCC#N)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 446878844 FNKKNUOZWPDMAZ-QGZVFWFLSA-N 400.435 0.402 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](O)Cc1ccccc1 460610744 HLHJCWRUBNIFMR-QGZVFWFLSA-N 404.430 1.106 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCNC(=O)c1cccs1 460619064 OBUYVSCFIQNPLI-UHFFFAOYSA-N 423.458 0.994 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 460773289 UFCHXHJOPKXOEV-YNEHKIRRSA-N 407.562 0.722 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCO[C@H](C#N)C3)c(Br)cc21 462283878 OETVHAHDAWHPQC-SECBINFHSA-N 415.269 0.553 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC[C@@H]1COc2ccccc2O1 464856052 ICFSMOXUZCBUSU-HZPDHXFCSA-N 408.462 0.815 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1C(N)=O 465427210 YCYRVXWMBOQUAR-CYBMUJFWSA-N 407.434 0.431 30 20 HCED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 474202439 TZDQSZOHFUHZLY-OAHLLOKOSA-N 408.524 0.482 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H](CO)[C@H]2CCOC2)n1 485323234 PDTKYGKQLQCTFF-QWHCGFSZSA-N 401.398 0.583 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCN3CCC[C@H]3C(N)=O)C2=O)cc1 486488930 PDEYMYHOEAQWAF-ROUUACIJSA-N 412.494 0.298 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 491075001 BFVNTDCMURVALC-UHFFFAOYSA-N 415.494 0.788 30 20 HCED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)cc1 497937937 JXMZSZUWJIOYSC-IBGZPJMESA-N 422.441 0.983 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1 505829241 CRBFJNIKYSKPJN-UHFFFAOYSA-N 416.482 0.242 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2ccccc2OCCO)CC1 506168293 JILGSSGVQDUNTO-UHFFFAOYSA-N 408.458 0.894 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C[C@H]2C)cc1 507438332 CUGCMLSRHAOKQD-OAHLLOKOSA-N 408.524 0.984 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 507734402 WRULAMHJJKMHNW-SFHVURJKSA-N 407.559 0.830 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cs1 509231782 HEGIEJOGOHMFEJ-NSHDSACASA-N 407.543 0.237 30 20 HCED N#CC1(NC(=O)c2cc(O)nc3ccc(S(=O)(=O)N4CCOCC4)cc23)CC1 533533357 LIMBTALQESAVKD-UHFFFAOYSA-N 402.432 0.747 30 20 HCED CCc1nncn1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 545967541 SAYPXPGOIWREHJ-UHFFFAOYSA-N 417.495 0.428 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 546904230 OQQQISYQJIIHOM-CYBMUJFWSA-N 412.406 0.747 30 20 HCED COCCN1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1=O 548930087 FZGNTFQPVRXVBK-GOSISDBHSA-N 403.458 0.283 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@@H](O)[C@@H]32)c1 550114581 HVUFTCQCWBXLAV-YRPRCUQKSA-N 404.488 0.352 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 553093404 GRCQQTSYZHJXCT-UHFFFAOYSA-N 410.433 0.723 30 20 HCED COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)NCC(=O)NCC#N)CC2 553542345 DDFJJKUSZYAPJR-UHFFFAOYSA-N 417.466 0.308 30 20 HCED COc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C2=O)c(OC)c1 553887399 SRSUABGJZOOSKP-CJNGLKHVSA-N 410.496 0.873 30 20 HCED Cc1ccc(C(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1S(=O)(=O)NCC#N 557581049 KYMOUYAXKZZWHV-RDJZCZTQSA-N 406.508 0.732 30 20 HCED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cn1 573821859 DLIZRHOLABKOTE-CYBMUJFWSA-N 401.448 0.765 30 20 HCED N#Cc1ccc(S(=O)(=O)CCNCc2cccc(C(=O)N3CCOCC3)c2)nc1 581421519 PWEGIUYPQJMLBF-UHFFFAOYSA-N 414.487 0.989 30 20 HCED Cc1cc(Cn2nnc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2C)on1 584068275 CIGKWDXJIVMRKN-CYBMUJFWSA-N 407.438 0.944 30 20 HCED COc1ccc([C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N(C)C)cc1OC 585684773 BNXVROCHGMAZLX-KRWDZBQOSA-N 417.510 0.527 30 20 HCED Cn1nc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 588202207 QLVOBELLOZXEHA-UHFFFAOYSA-N 403.446 0.805 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 589798301 PINMTCWLIZFDOM-OAHLLOKOSA-N 423.491 0.390 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)c1 603507513 FBADXLDFGCVQDR-OAHLLOKOSA-N 401.510 0.305 30 20 HCED O=C(NCCNC(=O)c1cnccn1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 606064744 NIPULOOLALAFRM-UHFFFAOYSA-N 414.425 0.756 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@H]2c2ccccc2F)CC1 612178151 CGAKDCZFMAIWJL-UYAOXDASSA-N 401.486 0.991 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cccc(OC)c2)c2nccn2C)C1=O 623190886 ICBAITQDMISQJR-INIZCTEOSA-N 411.418 0.611 30 20 HCED Cc1csc(=O)n1CCC(=O)NCC#CCNC(=O)CCn1c(C)csc1=O 680340088 UZDIKWNZHZTRNJ-UHFFFAOYSA-N 422.532 0.466 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 730408150 WEFWJVHWMVHHEB-VCXDHIOWSA-N 419.846 0.824 30 20 HCED CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 732898078 IHVJJKLJJMXLRT-IKBYJFNHSA-N 410.496 0.715 30 20 HCED CCCNC(=O)Nc1ccc(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908473 MARLBOBOJDJUFB-MRXNPFEDSA-N 420.491 0.726 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 740519175 VLSOAUGBYUUOJC-UHFFFAOYSA-N 402.520 0.424 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742618019 SSHOHSCDSKWABM-STQMWFEESA-N 408.480 0.851 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCOCC1 743759895 HPHXQADCGFHWSR-UHFFFAOYSA-N 409.508 0.943 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)c1 746041394 OREFQLMFSOFJOJ-CZUGFQSVSA-N 420.491 0.828 30 20 HCED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 746989546 KFEPLCOEFUQVKS-UHFFFAOYSA-N 401.448 0.665 30 20 HCED CC(C)c1cccc2c1OCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 753927537 DKUKFUYRISEIAB-UHFFFAOYSA-N 406.464 0.673 30 20 HCED COCCN(C(=O)CON=Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 754276863 SJZYWZGGWJDZHS-HNNXBMFYSA-N 414.480 0.716 30 20 HCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNc1nccc(N2CCOCC2)n1 762603885 RVPBFYGPQZJASM-HNNXBMFYSA-N 419.511 0.932 30 20 HCED CCS(=O)(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 768336376 MHBNTJVBEDGDLH-UHFFFAOYSA-N 413.521 0.541 30 20 HCED C#C[C@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@@H]1CCCO1 775616896 GRVPKPPVVVARBY-HOTGVXAUSA-N 407.496 0.466 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 776137798 UKUHIXVXENYZJL-GFCCVEGCSA-N 407.448 0.806 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 776138340 LTKIDCHUMLKVIW-UHFFFAOYSA-N 420.538 0.362 30 20 HCED C=C(C)CN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 777467893 ODPNSBIHRVPFKB-UXPDKRSESA-N 410.521 0.846 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 783347552 OXJGGOOTJRBZOB-UHFFFAOYSA-N 421.397 0.634 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1 783347589 QZLDJFCYTIUTAB-UHFFFAOYSA-N 417.509 0.030 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NC2(C#N)CCC2)c1 784195782 KPFFESROLMAECU-UHFFFAOYSA-N 409.464 0.639 30 20 HCED CCn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)[nH]2)c(N)n(Cc2ccccc2)c1=O 786088371 YUNYXCIMFQWYDY-UHFFFAOYSA-N 421.413 0.900 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 787056325 LQGLGZBSWCEWFI-IFXJQAMLSA-N 413.390 0.640 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)(C(N)=O)C1 787909711 IIVOAEYQKWOWLA-UHFFFAOYSA-N 414.871 0.965 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 799284922 QXPZWWHYWMUFLM-KRWDZBQOSA-N 418.469 0.713 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 800911116 ZGAWVEKOLXMCKU-UHFFFAOYSA-N 409.895 0.525 30 20 HCED CC[C@@](C)(C#N)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 803007436 VWQSFCCRJMRVAL-INIZCTEOSA-N 417.509 0.847 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc(C4CC4)nc3N)CC2)o1 803710295 DUQWOPUACKZDEZ-UHFFFAOYSA-N 411.422 0.610 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc(C(=O)NO)cc1 807949779 JKAIGUBPJSJTAR-SFHVURJKSA-N 404.423 0.037 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@H]1CCCO1 809307099 YQNLVKJWGDBSBG-YESZJQIVSA-N 411.437 0.812 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1 913343577 NQNWEHPFYOYYOB-SFHVURJKSA-N 411.480 0.823 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 914424818 CWINGDSVMYAFJC-CYBMUJFWSA-N 423.491 0.420 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 916198513 MUXUMCCBZZEAHM-UHFFFAOYSA-N 416.459 0.492 30 20 HCED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 916926081 RITSEGIIGOTBAL-LBPRGKRZSA-N 424.417 0.180 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 920200665 KFRYBSXBKOSOHJ-UHFFFAOYSA-N 409.464 0.136 30 20 HCED COc1ccc(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)c(OC)c1OC 1167523933 YOICTJOXYFQNAS-UHFFFAOYSA-N 402.407 0.595 30 20 HCED C=CCn1c(Cc2noc([C@@H](NC(=O)C3CC3)[C@H](C)O)n2)nnc1N1CCOCC1 1339196448 LBVJJPHHDLTTAX-LRDDRELGSA-N 417.470 0.223 30 20 HCED CCCNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1501176265 YCCIZIVDYXIDJM-MRXNPFEDSA-N 400.487 0.785 30 20 HCED CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515303322 MRKDLRLHTVTZSL-SFHVURJKSA-N 408.510 0.919 30 20 HCED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 1559425738 MHKPDLZMIZFTIE-UHFFFAOYSA-N 414.487 0.703 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1570695370 QTSGGWGIQUDOEJ-CLCXKQKWSA-N 407.492 0.975 30 20 HCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1589404938 OERIMPOUNJXASS-NEPJUHHUSA-N 416.301 0.818 30 20 HCED C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1611621608 OECSRXDJJBCEDW-VCBZYWHSSA-N 405.478 0.639 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1611622177 YMVTUYJCYLCJNH-NVXWUHKLSA-N 400.487 0.376 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1639219653 PHDKDSHXYKTWKJ-KRWDZBQOSA-N 416.434 0.897 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1654261397 KIBRKTGBCHXPQF-IXDOHACOSA-N 408.499 0.105 30 20 HCED 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CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccccc1 1844335293 YMSABHGSATYMGP-OALUTQOASA-N 410.518 0.980 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C1CC1 4495285 IQCPHQPXAJVFAK-SFHVURJKSA-N 404.448 0.467 30 20 HCED C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 26669327 SJULAZOLRMSVEM-NQERJWCQSA-N 400.527 0.609 30 20 HCED Cc1ccc(NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1S(=O)(=O)N(C)C 45447778 RBIQCFSRLTUHIE-UHFFFAOYSA-N 403.464 0.929 30 20 HCED COCCN1C[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 46356409 VFVRTEFGGRVFQS-CQSZACIVSA-N 413.434 0.950 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCN1CCN(c2ccc(F)cc2)CC1 409561917 OBOSFHYMYJVHPU-UHFFFAOYSA-N 413.519 0.644 30 20 HCED Cn1cc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cn1 426842048 XTDUVXCYKHZSDL-UHFFFAOYSA-N 401.448 0.082 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC2CCN(C(=O)NC3CCCCC3)CC2)n1 437317228 GWPNKYUUYLZFNI-UHFFFAOYSA-N 415.498 1.358 30 20 HCED CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCn1c(N)nc(C#N)c1C#N 440576697 NVHMTCVJKIXTEB-UHFFFAOYSA-N 407.477 0.866 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3ccc(OC4COC4)cc3)n2)cc1 442124934 LQJIJXMCJRBAOR-UHFFFAOYSA-N 418.413 1.553 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)n1 442372891 IWNGGJUIDFSADN-CZUORRHYSA-N 424.436 1.339 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCCC2=O)cc1 445768343 RIZBPHGFRUXIRP-CQSZACIVSA-N 422.507 0.559 30 20 HCED CN(Cc1nnnn1CCOCC(F)(F)F)S(=O)(=O)c1cccc(C#N)c1 447696868 CHIUMFLBXWNXGC-UHFFFAOYSA-N 404.374 0.944 30 20 HCED Cc1cnn(C[C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 480403604 MKDZXMXZNPCOOX-KRWDZBQOSA-N 417.491 0.611 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCC(N(C)C)CC1 482338528 ZWVCFQCXKYLQAL-OAHLLOKOSA-N 407.540 0.367 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](COCC2CC2)C1 485577893 LZOPMBMUIXEURS-PBHICJAKSA-N 407.492 0.879 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)C2)cc1 493887802 HTGZEGZFFYTADY-SRGMZFCMSA-N 413.521 0.411 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1n1cccn1 494053667 CBJCUMJZTCVVHE-ZACQAIPSSA-N 420.433 0.809 30 20 HCED CN(CC(=O)N1CCC[C@H](Cn2ccnn2)C1)S(=O)(=O)c1ccc(C#N)cc1 505709369 OXTCGFXVVUNTST-INIZCTEOSA-N 402.480 0.709 30 20 HCED CNC(=O)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 507964965 AOYKHKCSTXYCAE-UHFFFAOYSA-N 400.460 0.855 30 20 HCED Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508449447 YWLPKCCLKQHWNG-KRWDZBQOSA-N 416.507 0.985 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508704811 FVECJDFXUBTVRZ-INIZCTEOSA-N 420.514 0.459 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)c(F)c1 513368056 XKSCZWZDSIVZJD-UHFFFAOYSA-N 406.443 0.280 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 516296438 MSGWNVFRRUUBHH-UHFFFAOYSA-N 423.429 0.427 30 20 HCED N#Cc1ccccc1-c1ccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 517196407 SSSALTTWJXHULG-QGZVFWFLSA-N 412.471 0.731 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc2c1OCC(=O)N2 517689950 DOMPQMOXTSEMHU-UHFFFAOYSA-N 401.423 0.030 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 521017480 ZGOAZCCMQYVTSU-UHFFFAOYSA-N 415.537 0.600 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)C1=O 522994514 MVIHOVVRKJTNPC-UHFFFAOYSA-N 402.407 0.158 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 533235992 JIELKJPGSMHYPQ-GOSISDBHSA-N 408.487 0.972 30 20 HCED C[C@H](C#N)CN(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 536987042 QKVONQMELOZOQB-CQSZACIVSA-N 411.484 0.801 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 537248725 MULQJKROQNLTOT-CEXWTWQISA-N 418.469 0.797 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 545296880 SLRFTFXTOKLXSS-UHFFFAOYSA-N 413.478 0.662 30 20 HCED CN(CC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 545497732 MSXDERXSKMSSHB-OAHLLOKOSA-N 405.480 0.241 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)C4CC4)nc3)CC2)n1 546905553 GKYGJLGYTINXFH-UHFFFAOYSA-N 419.445 0.984 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 550902408 ILCTZZMBWQXSGL-AWEZNQCLSA-N 424.427 0.602 30 20 HCED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CCC1 554210343 XALGPSTVOXELDV-UHFFFAOYSA-N 418.479 0.137 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)n(CCC#N)n1 554608653 HYZBHTOVFAWERG-GFCCVEGCSA-N 402.377 0.423 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nnn(Cc3ccccc3F)c2C)C1=O 563826610 PDSIIEDELFICOI-INIZCTEOSA-N 414.441 0.958 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 567540053 BLYWKMGCBFTPDN-ZTFGCOKTSA-N 414.462 0.480 30 20 HCED COCCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 568686547 YQISXOFLFPTAMR-UHFFFAOYSA-N 404.448 0.573 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1 570326107 JYHKAIMABQGPCK-INIZCTEOSA-N 407.492 0.881 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 571034051 KMLOVLNZHVEOMW-PBHICJAKSA-N 406.508 0.990 30 20 HCED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 582506145 PYSGWMSHULFROH-AWEZNQCLSA-N 409.494 0.700 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)CC1 588124641 DPNGRZKCKQOMEL-UHFFFAOYSA-N 410.377 0.737 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)n1 588732717 CKNAHAJQQVUHBI-MRXNPFEDSA-N 403.874 0.864 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCOC[C@@H]3c3ccco3)C2=O)cc1 588869081 XEDWFFMTMSRILH-QZTJIDSGSA-N 422.441 0.968 30 20 HCED CCc1nc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)no1 589401931 JUSLTSCDZBFBPG-UHFFFAOYSA-N 418.479 0.126 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 589453270 LITXHSQTHOJXDC-MOPGFXCFSA-N 420.535 0.721 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 608911237 UWDCWRLUSJIJPQ-UHFFFAOYSA-N 424.935 0.529 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 609464475 JCYHDXXJNKLZQF-GOSISDBHSA-N 405.543 0.536 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 610782310 MGBOISWNYXPRSY-WMLDXEAASA-N 421.523 0.145 30 20 HCED CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCN1CCO 614920828 SAVRDWPDYZFTHD-QGZVFWFLSA-N 405.568 0.845 30 20 HCED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNc2ncccc2C#N)c(F)c1 728296516 RQNWRTYZLMFKQU-UHFFFAOYSA-N 413.456 0.854 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2cccc(CS(N)(=O)=O)c2)c1 731128958 MSOWMRUWLMFIDT-UHFFFAOYSA-N 401.444 0.742 30 20 HCED COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731851233 NANCSIAITIVHPX-CCEZHUSRSA-N 413.839 0.931 30 20 HCED O=C(CNC(=O)c1cccc(Br)c1)NCCN/C(O)=C1\N=CC=CC1=O 731863382 VEMKSPZZMISKMF-BMRADRMJSA-N 421.251 0.822 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 731994339 MEDSVGSBCJKYJK-UHFFFAOYSA-N 400.460 0.580 30 20 HCED CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732898067 IGESBGWMMXYHNF-AKFGLMPPSA-N 424.523 0.961 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)c1 735852842 GHIYZXHJHWXLCL-UHFFFAOYSA-N 416.415 0.900 30 20 HCED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737277894 TTZBSSCADSPLLS-OBZJLHOISA-N 424.479 0.363 30 20 HCED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1COc2ccccc2O1 741340362 LUVNEIJCLMYINF-ZIPFOMIPSA-N 415.402 0.402 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(CN3CCN(C)CC3)c2)CC1 742249987 ADPWAVVBDRHDOQ-UHFFFAOYSA-N 411.550 0.331 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCOC)c2=O)cn1 743725528 UIZREFHEJKOMGO-UHFFFAOYSA-N 404.492 0.127 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 744153340 VMKYIBIQTBOFFE-NSHDSACASA-N 408.461 0.404 30 20 HCED C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749746335 WNCFTDIKRGZEOT-BBVBSRCGSA-N 410.496 0.571 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2CCOCC2)CC1 749855999 MXJTUQAUYDAKGC-UHFFFAOYSA-N 421.475 0.361 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@H]1CCCO1 753207242 XOKNXQRCQVKVCG-DLBZAZTESA-N 400.545 0.861 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(=O)N(C)C 753787720 BDKNZBXGGCTKAK-CYBMUJFWSA-N 415.519 0.333 30 20 HCED CCNC(=O)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 754447976 UJTOJCVJYZEBKD-UHFFFAOYSA-N 406.508 0.928 30 20 HCED CCN(C(=O)[C@@H](C)OC(=O)C#Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 761218876 FOPMVFCKZVAXAC-UKRRQHHQSA-N 407.444 0.734 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 763398777 VFEUSFFJOXWSOU-UHFFFAOYSA-N 405.798 0.962 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1cc(OC)ccc1OC 763460728 MUAKTDIQRIFCCN-UHFFFAOYSA-N 424.482 0.504 30 20 HCED C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 764681342 AWEOWZMVEORJKQ-BZFXOVTRSA-N 422.507 0.979 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 765785168 XFMQXOVCUJPOBI-AWEZNQCLSA-N 416.469 0.819 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1OC 768151181 FOJNMFRJNITEQB-MRKGBVMWSA-N 413.430 0.936 30 20 HCED CCOC(=O)N1CC[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 770279532 FGEQQLBGQNCBIT-STQMWFEESA-N 408.480 0.851 30 20 HCED C[C@H]1CCCC[C@H]1N1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 771896555 CFABQQWYKXQDTH-DZGCQCFKSA-N 411.528 0.393 30 20 HCED C[C@@H]1CCCC[C@H]1N1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 771896557 CFABQQWYKXQDTH-UKRRQHHQSA-N 411.528 0.393 30 20 HCED Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(C)c1OC(F)F 771896578 CXSMLMKGIMHSNY-UHFFFAOYSA-N 416.406 0.615 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3)c2=O)cn1 772284276 QXBPFCCWXSERRY-UHFFFAOYSA-N 421.482 0.462 30 20 HCED CN(C)S(=O)(=O)CCC(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 772286763 QKGGISPJZNSADN-UHFFFAOYSA-N 420.409 0.998 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)C2=O)n(C)n1 780062364 ZMYCUDIGLCEART-ZFWWWQNUSA-N 410.434 0.880 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 783012053 COLBFCSWEDDBBD-CQSZACIVSA-N 422.507 0.993 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 784337177 MQLZPOGPUHIJMJ-HNNXBMFYSA-N 407.515 0.902 30 20 HCED CC[C@@H](NC(=O)[C@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 787045905 LJMBUPXNTIDSEM-HUUCEWRRSA-N 422.445 0.410 30 20 HCED Cn1c(=O)c2cc(C(=O)O[C@@H]3CCCN(c4cc(C#N)ccn4)C3)n(C)c2n(C)c1=O 789486382 DCOPRQZXFVSUCK-CQSZACIVSA-N 422.445 0.668 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)cc(-n2cccn2)c1)[C@H]1CCS(=O)(=O)C1 792365964 YCKGUYRWSQBOMG-HNNXBMFYSA-N 416.459 0.468 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 800781683 BEQXCDYUYNTVRN-CHWSQXEVSA-N 400.505 0.789 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(CCCSC)c1=O 802722831 LHWOLBONBUIPRY-UHFFFAOYSA-N 403.533 0.923 30 20 HCED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 807404217 IQOUGZPLYGUEAF-UHFFFAOYSA-N 409.446 0.342 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cn[nH]c3cn1)C2 1797713213 HONMGYNQRGMNLS-DACLVMHWSA-N 413.478 0.734 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797766887 LMSVCGYKDYHCCM-WXQHOCMDSA-N 403.483 0.458 30 20 HCED CN1CCN(CC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1797837861 GQNJWUOADBMPTD-JNLFNWDLSA-N 421.542 0.401 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)CCC 1797926023 FDQQJNYRFHGMJS-RPUYLAQPSA-N 409.527 0.454 30 20 HCED Cc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1798278565 QRGAPBKQVRCICS-UPHUGPLXSA-N 421.457 0.939 30 20 HCED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)ON=C(C)C)nn1 1799392917 OOHBZKRVKHVWJS-ZJOBFFGXSA-N 405.455 0.489 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1799394797 URRBKIYIFXOLNW-NFFDBFGFSA-N 419.438 0.179 30 20 HCED 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QQMASJYJIDMQFM-AYPRBGQRSA-N 416.511 0.819 30 20 HCED C=CC[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN(CCO)CCO)CC2 1825130886 QUTHMMNIZHHYTR-ZIAGYGMSSA-N 410.540 0.554 30 20 HCED C[C@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2)n1cnnn1 1826981564 SXIZBRGVRWILPD-KOLCDFICSA-N 411.451 0.816 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829885913 SLBUPTAYJYBLMT-XLIONFOSSA-N 413.584 0.739 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(Cl)nc3)C2)C1 1831386998 WOPIQLLBMUHGKC-FOIQADDNSA-N 421.881 0.843 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1831406210 AGWXTVXULBAYCA-NRFANRHFSA-N 410.511 0.852 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1831413344 VUNCYQNOQZUQKX-HXUWFJFHSA-N 406.483 0.391 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)NC(C)=O)CC1 1831423341 MKUWLJDQMRIJCH-BUFKOALHSA-N 418.538 0.989 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3oc(C)nc3C)C2)C1 1831427286 TYQOIFHBPQSIBO-FOIQADDNSA-N 407.467 0.953 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1831486766 HGJLXRCOYMQNPQ-ABSDTBQOSA-N 422.551 0.492 30 20 HCED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)n1 1832826047 KVRXTDNDXKIVQH-MGPUTAFESA-N 423.535 0.798 30 20 HCED Cc1nc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)no1 1832926021 KBKSOXARUYWENT-JOCHJYFZSA-N 424.457 0.429 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2)C(F)(F)F 1833979652 ZQTNJBGGEJSHTI-MRXNPFEDSA-N 400.357 0.665 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834102809 MZDOREXWSZXGSB-ZKSMDFIPSA-N 401.423 0.192 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1834760190 IUKNOBDYBIXYLN-HXUWFJFHSA-N 401.419 0.328 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1834764820 DOHVIQLYBYGTNF-IBGZPJMESA-N 401.398 0.457 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1835449730 QUYKNIBQEFICGO-NQIIRXRSSA-N 409.527 0.377 30 20 HCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(C)C 1835894731 SOPVERJQCXDKMB-LAUBAEHRSA-N 406.527 0.769 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cccc1C=O 1835952309 PRBYVMYOKPYFIB-IIBYNOLFSA-N 416.478 0.868 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4[nH]nc5ccncc45)CCO3)C2)C1 1836445928 MWMTVLXTEJIULW-OAQYLSRUSA-N 411.462 0.994 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837088694 MFDJZWRLQYCFAI-IERDGZPVSA-N 418.494 0.490 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837399404 SHUZWUWEYULOIQ-KKSFZXQISA-N 421.469 0.864 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445260 MMJGSVHNWFMWNG-XLKWYTADSA-N 418.498 0.260 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837552193 CICGOUILWUVFKV-HAYFENEFSA-N 417.462 0.491 30 20 HCED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)cn1 1837561519 QMBSHTCRXXLBQS-KQBANSRISA-N 415.450 0.202 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n(C)n1 1838042353 XCXZWCFGVKGGNP-HXUWFJFHSA-N 401.467 0.356 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1OCC)CCO2 1838114584 MVYZGJKPYVMCOO-LJQANCHMSA-N 407.854 0.837 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838253926 NXPMDRNSAIHUOU-AUUYWEPGSA-N 424.885 0.791 30 20 HCED Cn1cc(F)cc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838737163 LKINREKSTDWWOF-HXUWFJFHSA-N 415.425 0.748 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840162283 RILHCZNJXLGSKZ-PIGZYNQJSA-N 423.520 0.475 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1840173742 PAPQLYVFWQTXBO-IRUYWQDXSA-N 417.462 0.485 30 20 HCED O=C1CN(CC(=O)N2CC3(CCCN3C(=O)/C=C/C(=O)c3cccs3)C2)C(=O)N1 1843417460 KTURNEGOTKCAOW-SNAWJCMRSA-N 416.459 0.242 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)[C@@H]2C1 1846133868 DYFCSTNTPVWHGC-XOIINTDNSA-N 417.462 0.391 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846982586 YMCQODXXFKJAIA-HNNXBMFYSA-N 419.503 0.821 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(CC#N)c3)CC2)C[C@@H](C)O1 52561644 NLWPUHZJYZPPJI-IYBDPMFKSA-N 406.508 0.864 30 20 HCED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 54851353 ORWGSFCZLXQUCT-UHFFFAOYSA-N 401.467 0.564 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 65949838 NFVWMECGVXULEX-UHFFFAOYSA-N 423.477 0.351 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)o1 107673548 PTUFLVLIPLHEJR-UHFFFAOYSA-N 424.373 0.708 30 20 HCED CCCCn1c(=O)[nH]c(=O)c2c1nc(Cn1nc(CC)c(CC)c(C#N)c1=O)n2C 111135519 JKFNKESPWDFHOO-UHFFFAOYSA-N 411.466 0.825 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 303591905 OXRPQRXAQCODOX-RTBURBONSA-N 402.539 0.699 30 20 HCED C#CCN1CCN(C(=O)[C@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)CC1 303645427 WGORSRFUSPDWBM-KRWDZBQOSA-N 402.520 0.917 30 20 HCED COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(OC)cc1OC 409486158 LYOSGBNMENWKAV-UKRRQHHQSA-N 413.452 0.367 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1 428259400 IACMSBGNHZGTGW-UHFFFAOYSA-N 405.524 0.956 30 20 HCED COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428393071 MGQDERPYMMZXRC-UHFFFAOYSA-N 415.475 0.907 30 20 HCED Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 435121694 YHEJPHYCSSLPCK-MRXNPFEDSA-N 409.450 0.826 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 438447530 IDHINAGFRNREFY-ULQDDVLXSA-N 401.529 0.804 30 20 HCED C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 438870155 ADDNWBIVVOQZRK-MGPQQGTHSA-N 408.480 0.841 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)C1=O 440258061 QLDJCZWWLSIVQP-CYBMUJFWSA-N 413.883 0.927 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncn(C)n1 444025645 QUVXVLCRULCPDK-ZDUSSCGKSA-N 403.468 0.464 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCCOCC2)cc1 446243191 FKWOLDOKTXNYFK-UHFFFAOYSA-N 424.523 0.270 30 20 HCED CN(CC(=O)Nc1ccn(CC(F)(F)F)n1)S(=O)(=O)c1ccc(C#N)cc1 448400857 ZVFIPSJOLPFSIP-UHFFFAOYSA-N 401.370 1.576 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 461741339 DMXRFZMZJKJDMP-UHFFFAOYSA-N 412.431 1.356 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 465506132 ZVYNVUDVYMETAE-ZDUSSCGKSA-N 421.504 0.651 30 20 HCED C[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1n1ccnc1 469537558 LKFIUYMYNYPRQN-YJBOKZPZSA-N 418.461 1.443 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)OC)C2)cc1 470142937 UYJRSTIHYUUUTF-IBGZPJMESA-N 423.491 0.843 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 470489019 BGLYOFJIGOJAFT-CQSZACIVSA-N 404.414 0.963 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnc(O)nc3N)CC2)cc1 470947310 IKBZQLQLBPISGS-UHFFFAOYSA-N 418.479 0.191 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N[C@H](C(=O)NC)c1ccccc1 476043172 QZOGRBJRBNDYBL-INIZCTEOSA-N 417.491 0.719 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccsc1 479378756 PQOLOAGZSFZUJF-UHFFFAOYSA-N 412.496 0.621 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)NCc1cccnc1 481476840 GMFLJMVEVHDMTN-AWEZNQCLSA-N 415.475 0.443 30 20 HCED CS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 486016092 LPWWJHKMLKAAJG-MRXNPFEDSA-N 416.459 0.731 30 20 HCED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 488745717 LLMNPCREJCOPPD-UHFFFAOYSA-N 405.411 0.399 30 20 HCED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 498661873 KKXBEYWDQBOCNZ-NSHDSACASA-N 415.269 0.409 30 20 HCED COC(=O)c1cn(C2CN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)nn1 500072142 CGXAHLAUTVQEFZ-UHFFFAOYSA-N 408.422 0.612 30 20 HCED COCc1csc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 500438083 WXKDGGHPWYQLHV-UHFFFAOYSA-N 403.468 0.490 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 504947705 GKBQTVXMAXBSPH-UHFFFAOYSA-N 406.443 0.058 30 20 HCED CC1(C)COCCN1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505520621 LUYXIXSULKMUNR-QGZVFWFLSA-N 413.478 0.990 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 505755885 WWMDJRCEYHTQKW-GOEBONIOSA-N 402.480 0.755 30 20 HCED C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 506898466 VUJZHNPLPUBOLN-UHFFFAOYSA-N 407.427 0.986 30 20 HCED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 508033300 RTEHGSSSSOATLF-UHFFFAOYSA-N 420.473 0.320 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)N(C)C[C@@H](C)C#N 511045232 MUGYOEPECPCNKJ-NSHDSACASA-N 408.933 0.853 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 519907651 RHKYDDWFNLGSHE-UHFFFAOYSA-N 413.503 0.644 30 20 HCED CN(C)CCNS(=O)(=O)c1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1 521705160 UJZYWYDLBSNYHG-UHFFFAOYSA-N 409.493 0.594 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN([C@H](C)C(=O)NC4CC4)CC3)CC2)o1 527512445 IXDVZPPZBBOBEL-CQSZACIVSA-N 414.510 0.882 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCOCC 531684118 YWNCNRLKKLAQJZ-UHFFFAOYSA-N 419.528 0.822 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O 532265989 OTBIQFJGDTXRLW-SECBINFHSA-N 423.416 0.931 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 533182616 CJPOZKRUBBDTSL-UHFFFAOYSA-N 416.507 0.980 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 536992936 CFEIUGFFONBFSR-UHFFFAOYSA-N 401.467 0.692 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(Cn4cncn4)c(F)c3)no2)C1=O 544666615 HXHXROOEHOVRQC-UHFFFAOYSA-N 411.353 0.992 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 556293321 SZNSIHGDPNGYFJ-GOSISDBHSA-N 412.446 0.568 30 20 HCED C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 557747116 KORXOYUAVFOFAZ-WYGQYTNYSA-N 409.446 0.153 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 561453310 GAPKFJSAPPKGCN-FQEVSTJZSA-N 423.517 0.932 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 562840712 GWWCCZFGRZTQLH-GOSISDBHSA-N 419.489 0.782 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 571816271 CDUUFAUYVWCGET-ZIAGYGMSSA-N 409.468 0.942 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)n1 583233620 HOEKLJGQGFQRTL-KDOFPFPSSA-N 424.461 0.761 30 20 HCED CC(C)OC[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 587659562 SLIDFIOPPNAENY-GOSISDBHSA-N 415.494 0.691 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H]3COc4ccccc43)n2)cc1 589033463 GOMBGBSIBFHJRJ-MRXNPFEDSA-N 402.414 1.429 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3cncc(C#N)c3)cn2)C[C@@H](C)O1 589553591 OMDCOSJCQMWLRB-BETUJISGSA-N 404.452 0.586 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 601915471 XGXRYRODMMEOJK-UHFFFAOYSA-N 407.496 0.302 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCc3nn[nH]n3)c2)c1 609952938 FVBSYFMWSXMCHQ-UHFFFAOYSA-N 404.386 0.641 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CO2 610700746 KUQLRIZPEBJMEW-GFCCVEGCSA-N 421.417 0.355 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)CC2)c1 614258531 LZIRAYDAQHIHNF-OAHLLOKOSA-N 415.479 0.863 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)C1=O 726043636 WYHMTNQNVUKIDE-UHFFFAOYSA-N 417.374 0.306 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1 748647382 RBJKBRARXKKUBM-UHFFFAOYSA-N 408.480 0.657 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)CC1 752617974 YSFIOFUYSZHBSK-UHFFFAOYSA-N 401.463 0.362 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C#N)o2)c1=O 758071771 NOOIBUKVRYGHDX-UHFFFAOYSA-N 404.407 0.420 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758545056 UGJIYPPOGLLNRK-UHFFFAOYSA-N 421.526 0.873 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1 761036269 FIJOLCMFSUSVFF-ZDUSSCGKSA-N 416.450 0.700 30 20 HCED CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 764764769 XZRSCRCDGSETRQ-WFASDCNBSA-N 411.505 0.732 30 20 HCED COc1c(Cl)cc(Cl)cc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888864 HSQRIQYZANTDPU-UHFFFAOYSA-N 421.262 0.712 30 20 HCED CCOC[C@H](C(=O)OC)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 772712614 NHTYFWMGJPGXCX-CQSZACIVSA-N 411.480 0.542 30 20 HCED CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 779569796 JQCRYTVGMCGDES-OUKQBFOZSA-N 417.413 0.972 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 780050860 PFECASJIFDXLCP-YOEHRIQHSA-N 400.435 0.766 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 782987856 SDPSJYZXNLJWEH-UHFFFAOYSA-N 402.494 0.528 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 783473534 CQPMRCVXGUZBRH-NSHDSACASA-N 400.359 0.596 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c[nH]1 786904938 LSFVKWBAUNNULO-UHFFFAOYSA-N 413.409 0.965 30 20 HCED CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCN(CC#N)CC1 786980186 WXXXATSURRSZSJ-UHFFFAOYSA-N 401.533 0.704 30 20 HCED N#C[C@H](C(=O)Cn1nnc2ccccc2c1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787060086 PLAMHOWEFJFFLS-OAHLLOKOSA-N 406.358 0.725 30 20 HCED C=CCN1CC[C@@H](N(C)C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1=O 799176480 VDODIXPUBTYSLK-PZJWPPBQSA-N 402.539 0.897 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 804708303 PCJWJURAMPFSEU-CVEARBPZSA-N 422.526 0.995 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1C#N 809501749 RMTMRGDWJIIMBG-CRAIPNDOSA-N 411.462 0.889 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C1CC1 812275859 DPKGZLZOCTZSRO-UHFFFAOYSA-N 423.445 0.181 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1CC(N)=O 812278165 CTDJYXHJXPSOPJ-UHFFFAOYSA-N 423.445 0.184 30 20 HCED CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250110 ININYLPQIHQXAX-ZDUSSCGKSA-N 422.457 0.890 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCc3nc(N)ncc32)CC1 814851630 VXDVSGAAAXNIKD-UHFFFAOYSA-N 416.511 0.542 30 20 HCED C#CCN(C)CCCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 814929226 GBIVGVJNHGXXRA-UHFFFAOYSA-N 409.512 0.898 30 20 HCED CC#CCN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 819249324 IRGUAAOUUOEYQR-HKBKRHGFSA-N 412.533 0.862 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O 914819725 VCPBQBBKFYAGQX-MRXNPFEDSA-N 412.450 0.560 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)nc1 917880085 QEGKQKPVAFEGER-UHFFFAOYSA-N 421.504 0.784 30 20 HCED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2OC)CC1 942128123 HZQOTIPGUGNWLQ-CENDIDJXSA-N 403.523 0.489 30 20 HCED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2Nc2cnc(C#N)cn2)c1 1052718962 UHMRVYACLJXYHS-GITGPQGGSA-N 405.462 0.912 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1117069581 STMQSIYXYKIQEM-UHFFFAOYSA-N 412.493 0.232 30 20 HCED CCc1c(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)cnc2c1c(=O)n(C)c(=O)n2C 1129494594 WKRHGBYRAWJDPI-UHFFFAOYSA-N 418.413 0.665 30 20 HCED C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1143920539 KUIMALULGKUKIR-YIYPIFLZSA-N 406.508 0.970 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)Cc1cccnc1 1156926874 YYCCEJJEMZOXMK-RHSMWYFYSA-N 402.476 0.587 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCS(N)(=O)=O 1176885410 YRMJZLWLLFYXKJ-ZDUSSCGKSA-N 416.525 0.031 30 20 HCED C[C@H]1CS(=O)(=O)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1255938653 UWLZEIUUTZYYGE-WFASDCNBSA-N 404.448 0.409 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1303636026 KGDIKILVJURGHF-BBRMVZONSA-N 411.466 0.880 30 20 HCED CN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1314639739 YWDRNARHXJDHOX-SFHVURJKSA-N 410.417 0.451 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@@H]1C 1316102478 WFLPDSSIZHQEKW-ZNMIVQPWSA-N 412.516 0.558 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 1320725639 LVRSVRDAYRAMSG-QGZVFWFLSA-N 415.537 0.814 30 20 HCED Cn1cc([C@@H](O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1330070021 PAEOXXZVUYOZSA-SFHVURJKSA-N 417.491 0.542 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1359514296 CITUWFGTSAFCSE-OAHLLOKOSA-N 411.514 0.905 30 20 HCED COc1cc(CN2CC[C@@H](NC(=O)Cn3cc(C#N)c(O)nc3=O)C2)cc(OC)c1 1465826134 OENSLOGOWWPUFN-OAHLLOKOSA-N 413.434 0.228 30 20 HCED CSc1cccc(N2C[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2=O)c1 1470361174 QCHUCZMUOQRJLP-GFCCVEGCSA-N 413.459 0.712 30 20 HCED CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C1 1475292952 VLNKVHKDZJDSGG-KGLIPLIRSA-N 404.489 0.071 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1638203236 LAUNZNRWKFAIGW-UKMLZYKCSA-N 408.499 0.917 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c(=O)n1C 1652998002 JOABFKMJVXDPSV-OAHLLOKOSA-N 422.507 0.076 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@H](O)[C@@H](CO)C1)CCCC2 1653845562 VMKPMXNHLFBLKE-VCBZYWHSSA-N 402.495 0.641 30 20 HCED C[C@H](C#N)CNC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1681273161 LHJDHPVTVGKGHQ-OAHLLOKOSA-N 422.511 0.094 30 20 HCED Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1693565038 WLMYHNGSMOQVQY-QGZVFWFLSA-N 415.523 0.653 30 20 HCED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)cn1 1711248250 XGKLSWLTUXFOKY-GUYCJALGSA-N 422.490 0.402 30 20 HCED C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1763217045 JOWDROHQVBFOAO-AWEZNQCLSA-N 404.496 0.933 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCO1 1767708698 UYMREIPFTFJLLF-DLBZAZTESA-N 412.450 0.183 30 20 HCED CC[S@](=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1778818733 ZFAMWJFMGGXVLW-VKGTZQKMSA-N 412.556 0.257 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1778975582 HILQXSOYOHRCRY-DOXZYTNZSA-N 400.541 0.503 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1778980423 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CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1844268371 WOQDLRVFFAPKGX-UHFFFAOYSA-N 415.519 0.624 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282833 LMTIFODSDCQPEL-INIZCTEOSA-N 404.511 0.596 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582070 LOTRJOYWTZVOBD-CYBMUJFWSA-N 423.477 0.959 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CCC3(CN(C(=O)OC(C)(C)C)C3)O1)C2 1845957752 JGMFUCNZIGKIIU-HNNXBMFYSA-N 403.479 0.992 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)c1 1846035119 NMQDWIWFSDMAHE-KRWDZBQOSA-N 414.506 0.417 30 20 HCED C#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 18957179 CKURFXMHUJTSKG-UHFFFAOYSA-N 403.800 0.209 30 20 HCED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 52711723 IANWRAOETHKWCQ-GFCCVEGCSA-N 401.510 0.532 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCCNC3=O)CC2)cc1 54001427 DOFRVOMYOWDEGY-QGZVFWFLSA-N 404.492 0.744 30 20 HCED C=CC[C@@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 427469251 KYRRATJKNHQVEZ-RBUKOAKNSA-N 419.547 0.794 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 430379540 UIKGXBYHDPUCKS-RDJZCZTQSA-N 422.507 0.012 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CCC1 430980235 RJPQTMCBRYVCTR-UHFFFAOYSA-N 401.492 0.024 30 20 HCED N#CCCN(CC1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 439339269 HSWPVKBOZILJRI-UHFFFAOYSA-N 420.491 0.798 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCSC 443565672 OHFNLZHGMSFSAQ-UHFFFAOYSA-N 423.585 0.990 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1F 447279550 RWZVJFKOWQALRT-UHFFFAOYSA-N 417.462 0.346 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccnn3Cc3ccccn3)CC2)nc1 448495580 LMDTUZAGCYIEDZ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(OCC(N)=O)c1 465282994 KTXQTYVVLLYFKQ-AWEZNQCLSA-N 409.450 0.633 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCOC(C)C)CC3)CC2)o1 470968563 PSLHRWJHGXNUFS-UHFFFAOYSA-N 404.515 0.546 30 20 HCED CCN(CC)S(=O)(=O)c1cc(NC(=O)CN(CC#N)CC(=O)OC)ccc1C 471146265 YGNOYIXBLBNEJX-UHFFFAOYSA-N 410.496 0.963 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3nnnn3CC3CC3)n2)c(F)c1 473350093 XBJTZGPGZSNGLU-UHFFFAOYSA-N 409.385 0.534 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)C1=O 474840734 PIPGAMFVVJZLHU-UHFFFAOYSA-N 403.410 0.699 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 476748903 UEGWYSJBALMFEE-BZNIZROVSA-N 404.423 0.972 30 20 HCED N#C[C@@]1(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCOC1 478654978 XFCNUHFOJDDQGY-AWEZNQCLSA-N 402.270 0.916 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2C)CC1 480185042 JYQRRTSIVCSFJW-UHFFFAOYSA-N 416.934 0.767 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 480963075 NEISIJTYDOJEOE-LBPRGKRZSA-N 414.509 0.775 30 20 HCED CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)cn1 488623191 CTAZSEACOIYQHF-LBEKAKSKSA-N 411.487 0.996 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1[N+](=O)[O-] 488997985 VNFNATDDXSFULG-GFCCVEGCSA-N 415.427 0.472 30 20 HCED CC(=O)N1CCc2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)ccc21 500058232 IULZPBNHMNNDNU-UHFFFAOYSA-N 406.508 0.832 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1=O 500486523 OGKBBEUFBTWNHX-SJORKVTESA-N 413.478 0.758 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 503287003 BYWSHHDGQAXETE-CQSZACIVSA-N 422.507 0.329 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)c1C#N 503723402 GSIGYZXVJPKLPN-NUEKZKHPSA-N 400.483 0.179 30 20 HCED N#Cc1ccc(C2=CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)cc1 504014481 VOYPROZHTJGFNU-UHFFFAOYSA-N 413.459 0.579 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(C(N)=O)n3)C2)c(F)c1 504239965 WKERMNSNUMAQPF-CYBMUJFWSA-N 410.409 0.915 30 20 HCED C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 508793070 HGGIQDLGZYNQQA-HZPDHXFCSA-N 424.571 0.893 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 523667144 QSHFOPLGQXPDQV-AWEZNQCLSA-N 408.480 0.824 30 20 HCED C=C(C)CN1CCC(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 524669108 OKGPVPLNSPOUDL-UHFFFAOYSA-N 415.542 0.855 30 20 HCED C=CCN(C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 538352314 VMDRPHQOWXYSHG-HNNXBMFYSA-N 401.510 0.943 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)n1 542997230 NPRBXVLWGWCNGN-CYBMUJFWSA-N 402.798 0.049 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)n1 546905550 QHKXSOMBQUOFEO-UHFFFAOYSA-N 408.418 0.105 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)[C@@H]1c1cnn(C)c1 553243986 GKJICZHHZNHGDQ-ZYSHUDEJSA-N 410.434 0.265 30 20 HCED CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 555472087 XCTSDNGPOZPNDY-YPMHNXCESA-N 402.469 0.895 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)c1 556039490 VTWLIUBQGMSJJB-UHFFFAOYSA-N 406.490 0.898 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 561429490 MUNVPRSVATYZGX-UHFFFAOYSA-N 416.441 0.873 30 20 HCED CN1CCN([C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)c2cccs2)CC1 588123752 ISYVJINDSUMJLG-QGZVFWFLSA-N 418.567 0.257 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 619565308 ACNGNIHKTIQMNI-LSDHHAIUSA-N 400.522 0.864 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)NS(C)(=O)=O 619683540 IISKGJCNPNWXEM-UHFFFAOYSA-N 422.385 0.839 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCc2ccccc2Cl)C1=O 726043260 MDTBLKPEZHRPHA-NSHDSACASA-N 407.810 0.865 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 728532809 KYBJBQBBICMBKV-KRWDZBQOSA-N 412.490 0.250 30 20 HCED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(/C=C/C)cc2OC)CC1 728571974 RQJHKCPFSWIKRI-FHHGHWCOSA-N 401.507 0.835 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 731863378 VEAOPWXUXOSTNS-FBMGVBCBSA-N 404.448 0.384 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C1CC1 732562871 LZVVOYQPNYTMCJ-UHFFFAOYSA-N 415.519 0.507 30 20 HCED Cc1sc2ncn(CC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c(=O)c2c1C 732911098 YBRBLXYWOUJHLK-LBPRGKRZSA-N 422.488 0.041 30 20 HCED CCNC(=O)NC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733829967 CJVRTSXZSBXYBM-SMDDNHRTSA-N 415.406 0.541 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 746500147 RNSNZOPUVCPGQD-UHFFFAOYSA-N 418.563 0.387 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCO2)CC1 748707000 QMLQFQKTCSZTNG-HNNXBMFYSA-N 407.448 0.113 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 749850372 LJZUITGKKSQZFM-GXTWGEPZSA-N 403.464 0.525 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@](C)(O)CN(C)C 752478609 HZBGBVZLCCNOIB-HNAYVOBHSA-N 410.540 0.569 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(OC[C@@H]2CCOC2)CC1 752794286 XTIAPYSUKDVRRP-CQSZACIVSA-N 407.492 0.769 30 20 HCED COC(=O)c1cccc(COC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1C#N 756205908 OJGSZKRCYJVWOR-NSHDSACASA-N 406.420 0.489 30 20 HCED CN(CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(C)(=O)=O 758365095 YMXRRMXBINHEIX-QWHCGFSZSA-N 403.505 0.326 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCNC(=O)C1 761113603 IXDVMMJUTJYLFD-CYBMUJFWSA-N 412.402 0.436 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CCO2)c1 762004013 AJTWSKCHJZHKNJ-KRWDZBQOSA-N 414.443 0.744 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 763479067 CGEASKWVJAEZLE-CBZJRKILSA-N 420.516 0.277 30 20 HCED CC(C)S(=O)(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767627196 LXVQMEDKNQLRAH-ZDUSSCGKSA-N 402.494 0.982 30 20 HCED Cn1c(C=NNc2nc(O)c3cnn(C(C)(C)C)c3n2)nc2c1c(O)nc(=O)n2C 769807533 OJWFSFDWTBAPIS-UHFFFAOYSA-N 412.414 0.419 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)[C@H]1CCCO1 775786467 WXHGABJKXOTILW-RZQQEMMASA-N 400.435 0.264 30 20 HCED C=CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 776061379 IMNVPAPEMSURQD-UHFFFAOYSA-N 409.512 0.874 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C(N)=O)[nH]n1 778390518 WOLVZZKKJHQNKO-LBPRGKRZSA-N 404.452 0.601 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 780047746 NAXBRFJWOIHBDC-AWEZNQCLSA-N 422.445 0.759 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 783045329 ZGKYKSOJPKDCJB-UHFFFAOYSA-N 400.888 0.999 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 783479428 KMIJWSMLNJRXJA-MRXNPFEDSA-N 419.503 0.802 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@H]1CO 786010259 HXYGXCWEJRMYJV-WIAOGZMSSA-N 422.507 0.667 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN([C@H](C)C(F)(F)F)CC1)c1cc[nH]n1 789992426 LBQLLILDLDOCAQ-LLVKDONJSA-N 405.377 0.789 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(=O)o[nH]1 790073850 XPMVWPOMFXQWHP-GFCCVEGCSA-N 407.452 0.319 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)C1=O 796490003 ALYROKPKOKIHAV-BETUJISGSA-N 406.439 0.289 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cc(C)ccc3F)cc2O)CC1 798290405 ZZAFFUVSDNMTNC-UHFFFAOYSA-N 413.453 0.923 30 20 HCED Cn1nncc1CN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 807936856 UAVWLAWEIMSQOS-XOMICKMZSA-N 413.507 0.922 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC 815861132 RSQLAAUDPPQVAO-UHFFFAOYSA-N 400.479 0.941 30 20 HCED C#CCN(C)CCCNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 818615325 IMPFPSOCHUTAHY-UHFFFAOYSA-N 415.556 0.872 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)NC(=O)c3ccco3)CC2)o1 915363854 KGOCYCWQOMZGGG-LBPRGKRZSA-N 415.406 0.458 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 916867307 BJJVPVPEUGOEOW-YWZLYKJASA-N 418.425 0.844 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 917922952 CRJUCBAUQRETBJ-UHFFFAOYSA-N 421.500 0.835 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NCc1cc(F)cc(F)c1 919033855 FEVYUDMQIGYTPZ-UHFFFAOYSA-N 423.397 0.974 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1 967260110 YSJGFIYFKNAZAD-UEDWAMCQSA-N 403.523 0.890 30 20 HCED COCC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1117719869 XKESIOKKDAOBHU-LSDHHAIUSA-N 402.407 0.458 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1 1200658318 WNZFQYCAAPLKLH-UHFFFAOYSA-N 403.468 0.548 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1499329912 UGCBVCYIKPHYAN-QGZVFWFLSA-N 421.465 0.620 30 20 HCED CCN(C)C(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515302643 GBENLSHLMDMOLW-GOSISDBHSA-N 408.510 0.919 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1519195655 RQJWAIXPARCUIC-IXDOHACOSA-N 418.498 0.743 30 20 HCED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 1542768747 NLCFFURNSCPCLI-CYBMUJFWSA-N 410.496 0.657 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)ccc1OC 1585958340 LQWAWWAPIHQWAF-GJZGRUSLSA-N 410.496 0.908 30 20 HCED Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cc(C#N)c(O)nc2=O)c(C)c1 1632503961 RMPKZCWMMNDCKB-HNNXBMFYSA-N 413.459 0.978 30 20 HCED N#Cc1cccnc1NCc1cccc(C(=O)N2CCN(S(N)(=O)=O)CC2)c1 1633235113 LSNWUKDGRIBXAO-UHFFFAOYSA-N 400.464 0.527 30 20 HCED N#CC[C@]1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 1638968409 OGAFCTFEHJFLOA-HNNXBMFYSA-N 401.535 0.976 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)c(=O)nc1O 1639309522 WSXXEYPCLDVBQB-QGZVFWFLSA-N 409.446 0.561 30 20 HCED CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1690908364 UVAIHCVGXLVGHA-KRWDZBQOSA-N 416.507 0.966 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1691006348 LEGLCFNEBLMHQZ-KSSFIOAISA-N 404.496 0.409 30 20 HCED C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)COC)CC1 1705685344 WGHRWVCKZWSPJD-UHFFFAOYSA-N 422.287 0.939 30 20 HCED COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cn1 1712466485 NHLPFHBCLBSUCQ-ZBFHGGJFSA-N 421.527 0.667 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1727608844 YRKXMBLZYOMXSS-RDJZCZTQSA-N 401.515 0.512 30 20 HCED C[C@H](CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1751162274 RKFXBEBJBAKYGJ-SJORKVTESA-N 401.515 0.975 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1761554618 UNZLCWGJZQHYGU-KBPBESRZSA-N 406.512 0.794 30 20 HCED COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1771119524 RCGUOPPSVGABCW-YOEHRIQHSA-N 412.516 0.387 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)NCC(C)C)C1 1778112105 KCJTXWLYBFWGLC-CSODHUTKSA-N 409.527 0.864 30 20 HCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CC2)C3)CC1 1778847805 WDODDYXTKXRCJE-DYESRHJHSA-N 403.527 0.051 30 20 HCED O=C1CC(C(=O)N2CC[C@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)=NN1 1778937216 DJKZZCAYARGPQP-RTLBZRNLSA-N 416.459 0.193 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1778971462 MVQOWEZLDNZXCY-QRWLVFNGSA-N 404.467 0.502 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1779102056 WFWZXWZUFOLTTB-WTRRFELYSA-N 403.439 0.449 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1779106104 QHNLBAGVFLOVOS-LQAUXRIUSA-N 416.478 0.983 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cncn1)C2 1779337105 GRKBKGGJQAIUAK-BZLDKRAPSA-N 419.526 0.926 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1780169137 ZXGJFJRYNOPHDX-HXUWFJFHSA-N 410.434 0.453 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2C[C@@H](O)C2)CCO3)c(C#N)c1 1781172871 YRHPTZHKCUMBNR-TVTNDZMWSA-N 413.474 0.710 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1781268230 JKYRBJUFFQJJEB-LJQANCHMSA-N 422.507 0.728 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782186812 KQWUQYRYCYTWHI-PBFPGSCMSA-N 402.586 0.303 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@]13C[C@H]1CCN3C(=O)OC(C)(C)C)CCO2 1783056420 ZGFJETVXTNCJMJ-GQWLDOHISA-N 403.479 0.849 30 20 HCED CC(=O)NCCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1783178394 CDKGVIPPYKSKQT-JOCHJYFZSA-N 412.490 0.847 30 20 HCED Cc1cc(C)n2ccc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2n1 1783566612 XBVNDUREQGOGFY-OAQYLSRUSA-N 410.430 0.483 30 20 HCED O=C(CN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1783587749 DTWWSDKXYTZAIN-QFCUHJEHSA-N 422.526 0.591 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccccc3C(=O)OCCO)CCO2)C1 1783898566 QOUUWFKWCHCXCB-VBKZILBWSA-N 422.503 0.598 30 20 HCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H](N)C(N)=O)C[C@@H]21 1784032088 YFQBZAFESPGGMR-XSLAGTTESA-N 406.527 0.327 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)c3ccccn3)C2)C1 1784648147 NAZUGHMNXNAPCM-JUOHCQIYSA-N 412.490 0.873 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCS(C)(=O)=O)C3)C2)c1 1784747054 OUGVDAMGDXVKPZ-FQEVSTJZSA-N 419.503 0.745 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1785016120 KXBCIOQSFPWFIU-QAETUUGQSA-N 407.540 0.813 30 20 HCED C#CCCC(=O)N1CC[C@@]2(CN(C(=O)CCN3C(=O)c4ccccc4C3=O)CCO2)C1 1785418886 YQWUIGJRLJQBEW-QHCPKHFHSA-N 423.469 0.916 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(OC)nn3C)[C@H]2C1 1785614348 YEHFZIBTLWLYNW-DZKIICNBSA-N 408.524 0.941 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccn3)C[C@@H]21 1786858260 NXADVKDYCKQHMT-WDSOQIARSA-N 413.522 0.886 30 20 HCED CC(C)N(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859833 IZNVXQDTXBPNSE-BZSNNMDCSA-N 407.559 0.588 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3C[C@@H](O)C3)C[C@@H]21 1788632202 LNWGMYLZEGKHOB-OYSTVDSJSA-N 404.507 0.436 30 20 HCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(O)n4c3CCCC4)[C@H]2C1 1788792137 GLZNDUQNNOWBKQ-ZOBUZTSGSA-N 400.479 0.932 30 20 HCED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CC(=O)NC1=O)C2 1792493361 CZBNBPZXYHLHQV-XOIINTDNSA-N 406.483 0.120 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1792630269 JVNJDMKMPDOHFL-MIFYACCESA-N 420.491 0.238 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CCCN2C)c1 1793640200 STKNPAIYYGJJGD-HNJRGHQBSA-N 412.490 0.864 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnc1 1793936177 NGGTWNAAFUAMSV-HGKCTWBKSA-N 415.494 0.332 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1nc2ccccn2n1 1796562798 SHURTDWIJXOCIR-OFVJYHLWSA-N 408.462 0.840 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CC)n(C)n1)C2 1797712195 UMWHMVYXFSAZEK-LTCOOKNTSA-N 404.511 0.759 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797740980 MBCQVOYILADPSH-AFPWUGJYSA-N 418.542 0.330 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)cco1)C2 1797811260 ITEPQPGMNPJBEH-BNAVPPKKSA-N 419.434 0.372 30 20 HCED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C/N=C/c2ccco2)no1 1797839158 PKUURUZBKFDMSK-NWSXDIEASA-N 400.435 0.827 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799179952 AXFLXTDTIJRTOS-VXIBKDFQSA-N 410.584 0.131 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)ccc1F)C2 1799375060 ZEPLKNKHNXOJIV-CSHUHZATSA-N 414.437 0.521 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)cc([N+](=O)[O-])c1 1799727583 CPLCMNBFJSNRLS-LJGDNWOOSA-N 417.418 0.542 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)C2 1800456449 UGWFLPPNOHXPLN-KCYAQADSSA-N 405.495 0.855 30 20 HCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1800490501 CCBBIGWVBJQVKE-XLMAVXFVSA-N 413.540 0.214 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(F)(F)F)ccn1)C2 1800778058 XIGNSDLCTHXCCM-CULMDFNYSA-N 411.336 0.392 30 20 HCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3c(O)nnc13)C2 1801165310 ITVPUUOOJUYTKH-JLVBRIDZSA-N 411.462 0.832 30 20 HCED O=C(/C=C/c1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801446959 MVJAJIVNZKFAFY-RIGUQBDQSA-N 412.494 0.551 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CCNC(=S)NC)CC2)C1 1806002830 IOVMVXVGODYTGQ-MRXNPFEDSA-N 408.568 0.740 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)c1 1807058276 LWXJEUKBYAZPSQ-IEBWSBKVSA-N 405.462 0.756 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCCNC)[C@@H]1c1cccnc1 1807130856 GXIGMKYLMARSOD-GGUUDJDBSA-N 413.522 0.945 30 20 HCED NC[C@H](N)C(=O)N1CC[C@H](CNC(=O)C#CC2(O)CCCCC2)[C@H]1c1cccnc1 1810327156 KLTVHXLOLJEMSW-WSTZPKSXSA-N 413.522 0.072 30 20 HCED C#CCCCC(=O)NC[C@H]1CCN(C(=O)CN(CCO)CCO)[C@H]1c1cccnc1 1813051335 WRJZZTWRTWIDTE-KNQAVFIVSA-N 416.522 0.178 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)C1)CC2 1814983826 BAXPXOONTDYBAI-NWDGAFQWSA-N 418.523 0.473 30 20 HCED C[C@H](NC=O)C(=O)N[C@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819907680 QPQLOOSPVCRJBC-NYVFSLHZSA-N 423.495 0.719 30 20 HCED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824719155 OHBFARXNXLIDCU-SNVBAGLBSA-N 416.419 0.739 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4nsnc4NC)CCO3)C2)C1 1829749088 QZYCBTBOJTYNRD-GOSISDBHSA-N 407.496 0.616 30 20 HCED CN(C)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830458894 LQLYCROJAPYPPL-QFIPXVFZSA-N 414.506 0.509 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1831388599 ZOWIRCGENALCOV-PGRDOPGGSA-N 415.490 0.509 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1831432249 JKOILRRUFRCVLB-FOIQADDNSA-N 405.451 0.448 30 20 HCED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)no1 1831484710 BPDYUGUTVBVSEA-WMZOPIPTSA-N 412.512 0.331 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1831484858 HFZICLIHQPZMNF-PKOBYXMFSA-N 410.540 0.753 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1831497523 DKDFCCUPLHOECH-RLFYNMQTSA-N 411.528 0.250 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)[C@H](C)CC)CCO2)C(F)(F)F 1831517373 HNZMQHZFQHWGGT-MRRJBJDNSA-N 408.417 0.968 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295179 JDXDDKCWGBEFFR-VMHRPQTGSA-N 416.482 0.018 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102915 QQJVOEDLPBGJBA-AUSIDOKSSA-N 413.518 0.835 30 20 HCED CCc1noc(C)c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344773 TULIZBYRLNNXDL-HXUWFJFHSA-N 402.451 0.919 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@@H](C)CC)CCO2)C(F)(F)F 1835597681 DPXNCXDCSDQBTQ-QEORTHHSSA-N 407.433 0.935 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C(F)F)no4)CCO3)C2)CC1 1836243030 BXSMSJPGKGCLOG-GOSISDBHSA-N 410.377 0.986 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccn5ccnc45)CCO3)C2)CC1 1836998087 SZMXRPYJQLCQLU-NRFANRHFSA-N 409.446 0.708 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838260935 ZZUCDQQESAGUKX-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)ccc3O)CCO2)C1 1838891369 SWJGFHBUUSPHDG-VGSWGCGISA-N 416.474 0.809 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2)C(F)(F)F 1839123583 XKGQPBBBLDYDJI-IAGOWNOFSA-N 405.417 0.703 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1839176443 PEFORFJPPXHYIL-MRXNPFEDSA-N 424.828 0.784 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839224601 VRZOFZPWHGARDL-HNAYVOBHSA-N 407.471 0.291 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840293796 VPXLDRIAPFSWHW-GHTZIAJQSA-N 417.510 0.564 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN(C)C(C)C)CCO2 1840564313 RXVMJQZUGVHLHS-OAQYLSRUSA-N 411.543 0.766 30 20 HCED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1)C(=O)O 1840835895 NDQQKTUDYKHJKJ-BQLSYSKASA-N 400.497 0.428 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841610951 MXPKMISIXAMSJJ-AWEZNQCLSA-N 404.423 0.551 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CCNC3=N)C2)c1Cl 1842909620 URBRBFWOJILFHG-UHFFFAOYSA-N 400.870 0.869 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccnc(NC(C)=O)c2)C1 1843599834 NMMGAIVLKZYPGT-WAYWQWQTSA-N 411.462 0.715 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673973 CIVUQCSWLSEZDQ-CQSZACIVSA-N 412.450 0.707 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1 261452719 QBJRVXSFYGYPHY-GOSISDBHSA-N 404.536 0.450 30 20 HCED N#Cc1cccc(NCC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 426858880 YRCBBSRXISRWLP-UHFFFAOYSA-N 407.478 0.946 30 20 HCED C[C@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](C)CO 443814348 ITAKTOWSMZTLSP-RYUDHWBXSA-N 405.842 0.926 30 20 HCED CN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 444501038 DYOGVSCYCKPPMT-UHFFFAOYSA-N 409.494 0.799 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ncn(C)n2)cc1 445188259 NZIMKBOWQRSFMB-GFCCVEGCSA-N 406.468 0.438 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)cc(N(C)C)cc2C)CC1 464034205 IHYLPNQHGOQKJX-UHFFFAOYSA-N 401.511 0.754 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 464285504 VPTKTJSNVDWEIP-BZNIZROVSA-N 404.423 0.707 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)S(=O)(=O)c1cccnc1 465131675 RDUHXXXUUJDVAW-CQSZACIVSA-N 415.479 0.101 30 20 HCED CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471016983 FZCJDPVCWLGSDV-UHFFFAOYSA-N 414.466 0.595 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 478135171 FBXMEZPXJPJHJY-UHFFFAOYSA-N 411.480 0.689 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CCN2CCCC2)CC1 479903591 QGFFSJXMYCYCML-KRWDZBQOSA-N 419.551 0.465 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sccc2OC)c1=O 481586291 LGOGUYHYUCXDMT-UHFFFAOYSA-N 407.517 0.656 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 486634785 INXONCZWKMVQAH-OAHLLOKOSA-N 402.498 0.014 30 20 HCED COCCC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 489064948 CYHHOFGZKNLOOL-AWEZNQCLSA-N 422.507 0.369 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 491285942 VBRVKRRFHXDSGW-DLBZAZTESA-N 423.477 0.900 30 20 HCED C[C@]1(c2cccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)NC(=O)NC1=O 493307827 BDZHAZLMGBBIOA-OAQYLSRUSA-N 404.430 0.970 30 20 HCED N#Cc1c(NC(=O)CCN2CCC[C@@H](CNS(N)(=O)=O)C2)sc2c1CCC2 500307325 VKZIWPAAUFZOJC-LBPRGKRZSA-N 411.553 0.942 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 500363597 MGHAFYWIVHMKBY-HZPDHXFCSA-N 401.463 0.683 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 501888025 GFXCSQCCPWJPDU-KRWDZBQOSA-N 403.464 0.627 30 20 HCED CC(C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCOCC1 504564753 YEDYMOJWMFBWDO-QGZVFWFLSA-N 413.478 0.990 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CC1 505701311 WMEBDAGWVKHYEF-UHFFFAOYSA-N 415.519 0.333 30 20 HCED CC[C@H](CCNS(=O)(=O)N(C)[C@@H](C)CC#N)NS(=O)(=O)N(C)[C@@H](C)CC#N 509428132 BKJRFGZPWYUTDO-SOUVJXGZSA-N 422.577 0.292 30 20 HCED C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 513322343 SBTAAGUKXODLIY-XHBSWPGZSA-N 410.409 0.947 30 20 HCED CN(C)CCN(CCN(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 521242428 QNDLZBVVDBFNOO-IBGZPJMESA-N 400.527 0.794 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)n1 531909471 JYMUHTPKWMKOCB-UHFFFAOYSA-N 424.486 0.158 30 20 HCED C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 533524952 XUWCELUVSGXTNX-OAHLLOKOSA-N 415.537 0.551 30 20 HCED COC(=O)CCN1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H](C)C1 539376912 GDPVYWSUAJXLJE-OAHLLOKOSA-N 422.507 0.506 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 540104353 UNDBGKYCUGWRLP-QHSBEEBCSA-N 415.406 0.074 30 20 HCED COC(=O)c1cccc(CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1C#N 540929859 QYGBAUMJGHNGJW-INIZCTEOSA-N 407.492 0.971 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CC1 541580340 DZRVYRIIOHNGRH-ZWKOTPCHSA-N 423.514 0.287 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](CC(N)=O)C2CCOCC2)CC1 544456196 GDXISRQSHXHMJL-SJORKVTESA-N 419.551 0.717 30 20 HCED COc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1[N+](=O)[O-] 547714570 UIYDUXRURNMJJS-UHFFFAOYSA-N 408.396 0.836 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 557501247 BZFZOIOUUQAWNX-QGZVFWFLSA-N 418.469 0.857 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(COCCOC)cc2)c1=O 566995723 UQSUOCRLZBTRRX-UHFFFAOYSA-N 413.499 0.508 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)n1 567088937 BZXMXCNFDLFRBD-SFHVURJKSA-N 415.413 0.777 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@]12CCCO2 568334028 QFEVIPYQXSGAKI-RZQQEMMASA-N 410.434 0.920 30 20 HCED COC[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 572654452 DTXGMZXHJKEGSB-CQSZACIVSA-N 401.510 0.477 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)n1 572687369 ZAMYALGFHIJDJE-UKRRQHHQSA-N 407.434 0.595 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 574207232 NPHJHJBLHQUVAA-HNNXBMFYSA-N 409.450 0.842 30 20 HCED N#Cc1cncc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 576988017 YHCJUEIPXUZFBE-SFHVURJKSA-N 400.460 0.702 30 20 HCED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 584852602 LTKIVUPCZHXMDZ-GASCZTMLSA-N 407.496 0.374 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)c1 588765527 RPEILUFDXPSNIP-QGZVFWFLSA-N 405.462 0.392 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 588780640 QFTHJSQSSAKYRJ-AWEZNQCLSA-N 414.466 0.199 30 20 HCED COCc1nc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)sc1C(=O)OC 589520482 OOAICIVKPQJDPY-UHFFFAOYSA-N 424.460 0.865 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1C 603821024 XWRLWBUWBDAMFJ-UHFFFAOYSA-N 422.488 0.692 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)CC1 603887764 ZYYOVIITVDRWOL-GOSISDBHSA-N 422.532 0.668 30 20 HCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 604174757 OSVLVYFOYKZXGE-QAPCUYQASA-N 407.492 0.771 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 609126979 JACGBYYXKBXRRE-GOSISDBHSA-N 401.442 0.473 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 612846250 JZAXKPJKTVSWDT-UHFFFAOYSA-N 410.438 0.567 30 20 HCED Cn1cc(C(=O)NCC2CCN(C(=O)NCCNc3ncccc3C#N)CC2)cn1 726709454 VUPXACFRRMEQPR-UHFFFAOYSA-N 410.482 0.950 30 20 HCED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1 728107439 SVCXDQLTZCQWGY-LLVKDONJSA-N 410.452 0.934 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C(C)C 743494365 DAIPRMSQUNKAQX-ZDUSSCGKSA-N 401.510 0.994 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 747805964 JHNXWEFWKYERTG-UHFFFAOYSA-N 419.441 0.633 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCOC1 749862989 UOLUBTWWYHPCAP-ZIAGYGMSSA-N 400.504 0.798 30 20 HCED CCOC(=O)c1sc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1C 750118606 DRYVPUUGBDBJCX-UHFFFAOYSA-N 422.488 0.983 30 20 HCED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 750841464 FTVBHYOJVHZLHW-INIZCTEOSA-N 421.567 0.600 30 20 HCED C#CCCN1CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 760138965 KRKXBSUYMMDOKR-GOSISDBHSA-N 400.479 0.714 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 762052391 KASMPPSLQZYAFN-UHFFFAOYSA-N 415.446 0.962 30 20 HCED C#CCC(C)(C)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 767664560 ITAHBLQAIYSFAC-UHFFFAOYSA-N 422.503 0.916 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cncs3)c(=O)n2C2CC2)CC1 767883113 GMTXIJGWXCFZGH-UHFFFAOYSA-N 415.544 0.368 30 20 HCED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCNc1ncccc1C#N 770254768 ALNPVRXFQUYIMJ-UHFFFAOYSA-N 409.450 0.660 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)Cc1c[nH]c2ccccc12 770430245 LGTRLGQDCKBICS-AWEZNQCLSA-N 412.471 0.926 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCCO1 776223625 BWPAIBIROIZERE-HOCLYGCPSA-N 422.463 0.792 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 777286605 HQAMMDNYYODJME-UHFFFAOYSA-N 401.511 0.822 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3cnc4c(c3)c(O)nc(=O)n4C3CC3)nc12 783960383 UDOYYSNQTHTJGK-UHFFFAOYSA-N 419.357 0.809 30 20 HCED Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787787837 PFWKWHKSZPLMOJ-UHFFFAOYSA-N 424.461 0.804 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 790841318 NACBRIIGDUQZLB-UHFFFAOYSA-N 416.434 0.884 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)c1ccncc1 805807868 ODNSCADAYPFMQS-SJLPKXTDSA-N 401.511 0.874 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 806768738 NBODMBDMHOQRAE-AWEZNQCLSA-N 416.482 0.631 30 20 HCED CC(C)COC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810281912 XARUCLJHPHKOOX-UHFFFAOYSA-N 408.480 0.773 30 20 HCED NS(=O)(=O)c1ccc(C=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 811638159 IXTDLQRTDCVROG-UHFFFAOYSA-N 409.493 0.960 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC)C1 812156143 KRPJCMOXMWGZOX-INIZCTEOSA-N 404.496 0.981 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)[C@H]1CCCO1 815574919 GPDJMYCGOSIZPZ-JKSUJKDBSA-N 415.450 0.206 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 914571948 VYFCROTXAGDPIU-KBPBESRZSA-N 409.468 0.942 30 20 HCED Cn1ncc2c(NN=Cc3c(N4CCOCC4)nc4ccccn4c3=O)ncnc21 915962882 XJLRIWNZNCBAMA-UHFFFAOYSA-N 405.422 0.654 30 20 HCED C=CCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2CC)nn1 984890290 BAGYUJOCFNNLNI-OLEVXBPZSA-N 403.483 0.625 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(O)n(C)c1=O 996979748 NDYJEZMWHWYRNE-WOOFSFRISA-N 402.451 0.329 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CCC(=O)NC1=O 1000394643 RMDSBKGMRIOGTG-OWYFMNJBSA-N 404.467 0.158 30 20 HCED C=CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1111811811 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0.573 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1831421516 KFTMFKSIORZTMP-AUUYWEPGSA-N 424.885 0.791 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(C)C)CC2)CC1 1833464838 WTOXRERNWOPUIO-GOSISDBHSA-N 406.571 0.984 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(C)[nH]3)CC2)CC1 1833465141 NKPHIGLNJRCDOQ-OAHLLOKOSA-N 401.511 0.942 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncc[nH]4)CCO3)C2)c1 1833721010 YNSBQFXPMWXRJI-FQEVSTJZSA-N 413.409 0.804 30 20 HCED Cc1ncoc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834366982 GRTFBDUQVAQRFN-OKFCBPFISA-N 419.482 0.525 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]c5nccc4-5)C3)C2)CC1 1835341941 FGVLMTBHWGDHBO-OAQYLSRUSA-N 409.446 0.888 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4ccc(F)cc4)C3)C2)CC1 1835342512 FKXGYQKEDZBTJN-NRFANRHFSA-N 417.437 0.965 30 20 HCED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835386389 ITAHTCMARPFACA-BCVDLATCSA-N 406.483 0.107 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835632000 AKSSVKFTQQKSCB-NRFANRHFSA-N 421.542 0.275 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835646966 NJHIXLYUCIPXIX-KRWDZBQOSA-N 416.569 0.379 30 20 HCED Cc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)co1 1835673215 YNRMDDJBHBDLST-FQEVSTJZSA-N 419.482 0.335 30 20 HCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1835801530 WCSGPGWMAGSUEN-LJQANCHMSA-N 404.492 0.517 30 20 HCED CCOC(=O)O[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836506681 ITQPLSVREZWKQA-CQSZACIVSA-N 423.466 0.208 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nc[nH]c4[N+](=O)[O-])CCO3)C2)CCC1 1836510706 KVRAGRGWFFNTLL-GOSISDBHSA-N 418.410 0.082 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)O1 1836605735 KSLCPJKIJQGZLR-VNPSNVHJSA-N 422.526 0.482 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)Nc2cnccn2)CCO3)C1 1837475906 KZKIWDIPDHVHFZ-IERDGZPVSA-N 415.494 0.700 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1837666918 AUAHDGVVZWCUTF-IIBYNOLFSA-N 407.511 0.571 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1837938150 HTDPQXNZMLDPHL-NRFANRHFSA-N 409.446 0.974 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838146994 JHMKPZWKKLLEIV-UTKZUKDTSA-N 420.510 0.873 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sccc3OC)CCO2)C1 1838291605 MWFWTGZNGNLJCT-MGPUTAFESA-N 422.503 0.865 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)OC)C3)C2)c1 1838583884 PMLCHSFXJVZSEZ-BTYIYWSLSA-N 417.462 0.672 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)C1 1838824442 FBZOPQXQLHSMJH-LJQANCHMSA-N 404.423 0.959 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839173295 ILKVKZORPKUQSK-OAQYLSRUSA-N 404.463 0.366 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1839174280 QOTZXRKIRCXRSF-FQEVSTJZSA-N 421.450 0.562 30 20 HCED CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188283 VPZMXPSZXLFLKJ-NRFANRHFSA-N 417.437 0.675 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839227904 MXMNAVKBYDYYPX-UWVAXJGDSA-N 412.531 0.584 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1839228014 QKNSTXJSBRPCCH-MGPUTAFESA-N 420.466 0.658 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)C2)C1 1839806367 MSFUKLIHQNDCLA-HXUWFJFHSA-N 409.483 0.379 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1839887786 RELOSRRGKLXSPT-DYVFJYSZSA-N 418.441 0.101 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C24CC(C(=O)OC)(C2)C4)CCO3)C1 1840003774 KLQNXIPRXCWSON-HRTMPFAESA-N 418.490 0.752 30 20 HCED COC(=O)CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840164469 LAYBKPPEAGDJSF-DNVCBOLYSA-N 416.540 0.885 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1840172022 MDJFKTMRXXCHLD-FQEVSTJZSA-N 420.466 0.808 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840175114 LUTKUQYTLZFPNI-LJQANCHMSA-N 405.407 0.947 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840292382 LSMSFEVWIAEVCQ-RBBKRZOGSA-N 414.506 0.731 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1840294673 IQGMNHCWAUVMHF-NRFANRHFSA-N 420.506 0.980 30 20 HCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n(C)n1 1840813095 DHHBXYVEYBCVBM-FQEVSTJZSA-N 417.466 0.193 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1840844004 YFUKBADFROBDHM-OAQYLSRUSA-N 414.437 0.957 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@H]1O)C2 1845957792 NIHSRZHZXKBALQ-YWZLYKJASA-N 405.495 0.831 30 20 HCED CNC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)nc1C(F)(F)F 1847765502 JGUWQSPSTQWEDO-STQMWFEESA-N 409.368 0.924 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cn2nc(C)sc2n1 1847799931 FPEBJBUDBUUVCV-KCXAZCMYSA-N 401.492 0.882 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 7767861 OSKBJSCBWRTJHP-AWEZNQCLSA-N 423.491 0.387 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)cc1 14343457 HIVNWHKZJWZOQM-UHFFFAOYSA-N 400.416 0.048 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCN(CC)CC2)cc1 97291900 VZJVPDZIGKGHRX-UHFFFAOYSA-N 406.552 0.746 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCC(=O)Nc2cccc(Br)c2)CCO1 409499404 HSQNBPXFXPLMBT-LBPRGKRZSA-N 403.258 0.446 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)ccc1F 410385430 XDKKYUZESQYWFM-UHFFFAOYSA-N 400.457 0.131 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)C1=O 440287049 ZEBJOTSVHGNTEK-CYBMUJFWSA-N 415.418 0.552 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)cn1 442859306 WWNQHPJINKWKIT-UHFFFAOYSA-N 422.488 0.899 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)n1 444509670 ZTYKVOXPIATPLS-UHFFFAOYSA-N 412.425 1.249 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461375003 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N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H](CC(N)=O)c2ccccc2)cn1 486393998 OLTNXRVNFCOSRB-MRXNPFEDSA-N 403.402 0.810 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccncc3)c2=O)cn1 489032423 AEMDIYIRIFQZSB-OAHLLOKOSA-N 421.482 0.619 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2)cn1 497721612 URONOOYUXQHBPJ-SFHVURJKSA-N 421.505 0.726 30 20 HCED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500259330 SHPFXQIGQAMXTO-CHWSQXEVSA-N 410.224 0.784 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 502254071 MEBJLADTFJGYHV-KZNAEPCWSA-N 414.462 0.086 30 20 HCED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cc2F)CC1 507175729 BSMOMALEMMATIX-ZBFHGGJFSA-N 408.499 0.853 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)COC)CC1 508908863 WHHGDFPSWZFONC-UHFFFAOYSA-N 409.454 0.402 30 20 HCED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508931239 GXTLWJQIFPAOKN-INIZCTEOSA-N 405.462 0.614 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 508937989 FMLSTTNASAOUCZ-CYBMUJFWSA-N 423.437 0.941 30 20 HCED N#C[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@@]12C(=O)Nc1ccccc12 513667320 SWVQHWXHAYKVRE-OPAMFIHVSA-N 407.474 0.413 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CCC)Cc2ccccc2)CC1 518414445 JCGIHGSAKGBXAI-LJQANCHMSA-N 400.523 0.960 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 519559718 PCRXKFSEOALXOK-ZACQAIPSSA-N 411.462 0.201 30 20 HCED CC(C)(C)NC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 524416277 XQOQBIZPRUOYAD-UHFFFAOYSA-N 421.523 0.879 30 20 HCED CN1C(=O)CCc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 527335613 ZWBCYPZLKYXZTP-UHFFFAOYSA-N 413.478 0.609 30 20 HCED CC(C)N(CCCNC(=O)CN1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O 532406428 HSRPLBWFIOMLIE-UHFFFAOYSA-N 422.555 0.252 30 20 HCED C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 537019971 CJKJCOZAXADSMR-LLVKDONJSA-N 416.443 0.990 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 539205404 HTQCWJFMDAYKDZ-CYBMUJFWSA-N 407.438 0.673 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 542075742 WDJBQHCPGBUOPE-CVEARBPZSA-N 409.450 0.603 30 20 HCED C=CCn1c(Cc2noc(-c3nn(C)cc3[N+](=O)[O-])n2)nnc1N1CCOCC1 546356694 WFXQDNUBTCMXJC-UHFFFAOYSA-N 401.387 0.583 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 554364373 AWTADQSRIUGFIO-IAGOWNOFSA-N 412.494 0.365 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CCN1Cc1ccccc1 557417318 GJXNNWUXPPKOBQ-HXUWFJFHSA-N 419.485 0.681 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 559956445 ICXXJAJPYMMSIM-CQSZACIVSA-N 408.480 0.867 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCC1(O)CCS(=O)(=O)CC1 561519745 WNHTZQSMTHJPLK-UHFFFAOYSA-N 423.310 0.539 30 20 HCED CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 565495912 TWAMWHMKHLIYOD-HNNXBMFYSA-N 408.480 0.800 30 20 HCED N#CC1CCN(C(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 571471755 WPAYMHPHYUAPJD-UHFFFAOYSA-N 403.527 0.589 30 20 HCED COC(=O)[C@@H](Cc1ccncc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 576863171 UCBFHHBGNWDTNJ-QGZVFWFLSA-N 401.444 0.769 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCO[C@@H]3CCOC3)C2=O)cc1 579165367 UYFBHQDJQPNACV-MSOLQXFVSA-N 414.462 0.482 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C1CC1 582331123 AYLYRZZBWIICCR-LBPRGKRZSA-N 416.463 0.502 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)CC2)nc1 587648240 UXSBLOBAWIRYKR-QZTJIDSGSA-N 413.478 0.445 30 20 HCED CCn1c(=O)c2ccccc2n2c(Cn3cc(C(=O)OC)cc(C#N)c3=O)nnc12 602249111 YYZPGLKZKMELLF-UHFFFAOYSA-N 404.386 0.932 30 20 HCED Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)nc2c1c(=O)n(C)c(=O)n2C 606753474 JJJKNGIHXJSJCE-GFCCVEGCSA-N 407.434 0.749 30 20 HCED COC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccn1 610297943 IEASGYPRDAQETC-MRXNPFEDSA-N 402.432 0.836 30 20 HCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 611359541 YIBACXVYWOMAAU-UHFFFAOYSA-N 404.471 0.449 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H](C)O)cc1 611527891 FJXAAYYWVIDPPC-UHOSZYNNSA-N 422.551 0.715 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)c2)CC1 615635015 OGEWIXZSSGCQMP-SFHVURJKSA-N 423.470 0.025 30 20 HCED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 619568120 JLBXHQLTHAEOIG-MRXNPFEDSA-N 403.458 0.752 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c1F 619695446 YJTSQIQMRQXSPA-UHFFFAOYSA-N 419.503 0.673 30 20 HCED N#CCOc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 727678769 DMRVVJWETCGLAF-AWEZNQCLSA-N 404.448 0.371 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCS(C)(=O)=O 728027812 UTZVYWSLIDZUHS-AWEZNQCLSA-N 415.537 0.643 30 20 HCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 728573112 LKSQLDDGYSHLDY-UHFFFAOYSA-N 403.439 0.299 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccc(OCC)cc2)CC1 729281859 QQKUIVPLRYLTJU-UHFFFAOYSA-N 400.479 0.099 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 729763363 OYUOOHLEHBXOJQ-UHFFFAOYSA-N 410.492 0.882 30 20 HCED CSC[C@H](C(=O)OCCn1ncc(C#N)c1N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 731771730 MNCYCUBKWBJJOH-HZSPNIEDSA-N 405.480 0.787 30 20 HCED Cn1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c(=O)n(C)c1=O 735005332 SEVIOQVUUVWYKM-UHFFFAOYSA-N 404.430 0.466 30 20 HCED CCS(=O)(=O)C[C@H](C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742676310 SHNAXZFOXWGVAF-NEPJUHHUSA-N 401.510 0.443 30 20 HCED C#CCCCNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 742788519 SRPBHTQOXNJPMX-UHFFFAOYSA-N 423.473 0.584 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C(C)C 743494364 DAIPRMSQUNKAQX-CYBMUJFWSA-N 401.510 0.994 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 746535044 VGIRVFNMARIHMT-SFHVURJKSA-N 423.404 0.977 30 20 HCED C[C@H](CC(=O)N1CCN(C2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 747432960 VZQLMMITZQYLLR-OAHLLOKOSA-N 420.535 0.827 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 747991165 DSGAQIREAOYCFQ-UHFFFAOYSA-N 424.457 0.262 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 757896440 GMOGMQSMOZNRAB-CQSZACIVSA-N 416.500 0.561 30 20 HCED N#CCOc1ccc(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cc1 763325032 OTEHHSWFQUXXKV-UHFFFAOYSA-N 409.489 0.987 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 770834699 QAGUSRPBOKQHIK-POZUXBRTSA-N 417.487 0.826 30 20 HCED CCOC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 778888863 XRHJKWSKKYBYMM-JEEMYIIMSA-N 410.496 0.979 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c1 784349787 BOCWHZDZQHZTIV-UHFFFAOYSA-N 414.443 0.269 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)nc1 785575777 XAEWGPQERPGIBY-IBGZPJMESA-N 422.489 0.671 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)C[C@@H](C)O1 785865130 HLUFUEGSIOSLQO-GASCZTMLSA-N 402.499 0.485 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790003418 XMWSOEJZXKXCCZ-AWEZNQCLSA-N 416.463 0.833 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)o1 796155100 WPQLLVCZPSNYSO-UHFFFAOYSA-N 417.443 0.982 30 20 HCED C#C[C@@H](NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H]1CCCO1 799322612 PDMWWXXAOWIWBK-HUUCEWRRSA-N 400.522 0.481 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1F 799939451 OHPSXTOUOHZUJT-UHFFFAOYSA-N 407.448 0.129 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCCO2)c1=O 802723553 LRBQUKWEJLOQMD-KRWDZBQOSA-N 413.503 0.739 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 807110425 UBARMILCGAIQSO-IPXXKRIQSA-N 420.470 0.565 30 20 HCED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 810351944 BJDDGSDHBCOHQT-CYBMUJFWSA-N 411.422 0.815 30 20 HCED COc1ccc(CNC(=O)NCCNc2ncccc2C#N)cc1S(N)(=O)=O 812013958 LFWCDFFEQTVJEI-UHFFFAOYSA-N 404.452 0.521 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 814273961 VZTPKVJJBXCLJC-UHFFFAOYSA-N 414.505 0.583 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 831422089 UKFBSONVUYAZER-HUUCEWRRSA-N 400.464 0.959 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 916178716 SRJQGDYWTIEADS-FQEVSTJZSA-N 424.438 0.757 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1ccccc1F 918391023 ZULDNDMDPAQQQR-UHFFFAOYSA-N 418.450 0.801 30 20 HCED C=C(C)C(C)(C)C(=O)N1CC(N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 995491815 WZZBPZKHPWZWEP-PVHWUHCKSA-N 401.507 0.940 30 20 HCED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)nn1 1006315936 HRDGKVLHGAMXJA-YCCFLXJFSA-N 400.483 0.440 30 20 HCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1297822535 ISPVIDNLBSDSEF-PEGYKEAPSA-N 416.507 0.809 30 20 HCED C=CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OCC 1338533293 YZXVCHLSPCHBRQ-ZDUSSCGKSA-N 402.494 0.913 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1F 1349457401 SUKZDFZUMZYKEL-UHFFFAOYSA-N 422.442 0.760 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1454050393 UCKNMXBLJBNGMO-OFQRWUPVSA-N 409.508 0.199 30 20 HCED CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CC[C@@](O)(CC#N)C1 1463965825 SEOTUETWCSJISM-HNNXBMFYSA-N 403.482 0.496 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H](C#N)C3)c2)CC1 1529366642 QEZRXBKVGQDADK-DOTOQJQBSA-N 404.492 0.961 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CCO1 1554442206 NFOOZDOGSPTHLS-QGZVFWFLSA-N 406.450 0.550 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2=O)cc1Cl 1616719565 OFNCHSOLGVWQPS-LBPRGKRZSA-N 413.821 0.850 30 20 HCED Cc1nc(C)n(C2CN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1635269983 INPANVKEIIDVLI-LLVKDONJSA-N 402.480 0.796 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1ccc(C#N)cc1=O 1656735736 NWZAKZJLWXHETI-UHFFFAOYSA-N 400.460 0.950 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1698310757 ZGYLVVDXOLMFIO-CABCVRRESA-N 421.527 0.393 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1712455388 VUSSSFXOFHXNIZ-UHFFFAOYSA-N 422.511 0.579 30 20 HCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1723778889 TVEBTBIMIBBFMC-CABCVRRESA-N 423.543 0.420 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1723884915 ODEXSSBDJPGERW-ZDUSSCGKSA-N 414.495 0.863 30 20 HCED Cc1noc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1726423364 PXJDOTZZZRMWKU-OCCSQVGLSA-N 423.499 0.465 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1778970229 ASBZYWPMWULCIM-DYESRHJHSA-N 404.511 0.999 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1778971093 IPBWCCZEIMJOCY-MVAZDOBMSA-N 406.527 0.861 30 20 HCED Cc1noc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779103829 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C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(F)c3)C[C@@H]21 1783529507 OSAIKWGEZMDRNT-SRMUPAJBSA-N 416.453 0.672 30 20 HCED N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1cccc(Cl)c1 1783562873 RYBAXOAJDWLDTL-HKUYNNGSSA-N 405.838 0.258 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1783566531 DPJZQRTUNSLFNF-NRFANRHFSA-N 408.414 0.404 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCOC4=O)[C@H]3C2)c1 1784281807 PFCIWKONIFCCKD-BZSNNMDCSA-N 412.446 0.604 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc4ccccn34)C[C@@H]21 1784475245 YHXITNYQGDRGKE-UMGGQSCQSA-N 424.501 0.895 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1784493647 BRNMSOXSIHOPIO-XSLAGTTESA-N 405.499 0.802 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1785074925 RJYCNMAFWMCVAX-FNXXIHLHSA-N 412.446 0.866 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H](O)CC3)C[C@@H]21 1786859710 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C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 435256283 DYNSTZOHEDEOIA-AWEZNQCLSA-N 414.441 1.001 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 437027332 ZIENHMKTQVYOLP-CRAIPNDOSA-N 421.519 0.971 30 20 HCED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 438739606 SKPANKGBLIIYAB-UHFFFAOYSA-N 414.495 0.862 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 439207633 USJHVQZHJQATLG-GOEBONIOSA-N 400.435 0.792 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 439563088 VDTKAIIGJCSQAU-NSHDSACASA-N 407.858 0.905 30 20 HCED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 447032098 ZYWWNZPJNHAVND-UHFFFAOYSA-N 414.491 0.941 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(=O)(=O)CC 460550437 HPRIJZMIBVFTQI-CHWSQXEVSA-N 407.562 0.724 30 20 HCED C=CCNc1ncc(C(=O)NCCNS(=O)(=O)c2sc(O)nc2C)s1 469170515 FQLDCJPKTJYGNK-UHFFFAOYSA-N 403.511 0.920 30 20 HCED COC(=O)C[C@H]1CSCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 471190959 LYUCWQYSZAGGQP-AWEZNQCLSA-N 407.496 0.484 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)OCC)C1=O 472109626 BJIPBMMVQMMPJG-AWEZNQCLSA-N 421.837 0.907 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)CC1 474788293 QQTSCWHVTGTESW-UHFFFAOYSA-N 419.551 0.738 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 475583280 LQSDUVPDMFGADJ-UHFFFAOYSA-N 424.866 0.194 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCC#N)CCN1CCOCC1 481210513 SHVNOHPQAYARDD-INIZCTEOSA-N 419.507 0.300 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 487181950 SEIFFMUAVAZREK-SFHVURJKSA-N 421.461 0.451 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cccnn4)CC3)n2)cc1 492892551 PAHMLEYMJRHAKG-UHFFFAOYSA-N 417.433 0.275 30 20 HCED Cc1onc(CC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C#N 499728995 SVMQYHNDDJSUSR-UHFFFAOYSA-N 403.420 0.156 30 20 HCED C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508931243 GXTLWJQIFPAOKN-MRXNPFEDSA-N 405.462 0.614 30 20 HCED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2C(=O)NC[C@H]2C1 508999913 IDCIYAGMJWTDHX-INIZCTEOSA-N 409.498 0.852 30 20 HCED CC(C)(CNC(=O)CN1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)N1CCOCC1 513670739 AUAJLBOIMYCXPV-ZHRRBRCNSA-N 411.506 0.559 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)c1 513849844 HLLCLTGVBJDVHH-UHFFFAOYSA-N 415.537 0.552 30 20 HCED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 517130559 VCAJYLOIGVJTDR-UHFFFAOYSA-N 401.467 0.588 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)C1=O 523028202 PALSDASJLNXGJT-INIZCTEOSA-N 412.446 0.313 30 20 HCED COCCn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 523967964 QAOZZFFRMYPXNO-UHFFFAOYSA-N 400.414 0.828 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccccn2)c1=O 530317873 CIUOTDDKTBTCBL-HNNXBMFYSA-N 413.499 0.840 30 20 HCED CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1C 540282553 VPKULSWHUAKFQE-UHFFFAOYSA-N 410.434 0.756 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)c3ccco3)n2)c(F)c1 542084519 SWHQKFNPTGUARL-UHFFFAOYSA-N 410.365 0.961 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545496803 LTAUUIFBXDZIJB-UHFFFAOYSA-N 413.459 0.644 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)ccc21 548697829 GCUJXTJCOKEENT-UHFFFAOYSA-N 417.451 0.109 30 20 HCED C=C(C)Cn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 549666723 BDCNFUOXNVCJMB-UHFFFAOYSA-N 402.503 0.618 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)CC1 551009094 PEODNCIGMFUZEF-LJQANCHMSA-N 421.586 0.306 30 20 HCED CN(C)Cc1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 551288723 XMVZKXWYRQJLFY-UHFFFAOYSA-N 406.490 0.980 30 20 HCED COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)CNc1ccc(C#N)cn1 553428015 JJPFMVHUWHMWAG-UHFFFAOYSA-N 404.448 1.433 30 20 HCED CC1CCC(NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)CC1 553969638 LYSYNQZNWNEYDV-UHFFFAOYSA-N 402.503 0.172 30 20 HCED C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(N)=O)C1 556984493 MRAQLDZUZJNVPX-INIZCTEOSA-N 412.498 0.719 30 20 HCED CC(C)(C)OC(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 557769208 ZVXGBJUZEGSUNQ-MRXNPFEDSA-N 414.462 0.623 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 558524322 JLQKFSVPHJOVMI-DOTOQJQBSA-N 423.477 0.837 30 20 HCED CS(=O)(=O)C1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCC1 560780491 APRRBUSJCSWLSA-UHFFFAOYSA-N 413.521 0.966 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)c3nccs3)CC2)c1C#N 561804214 NKBAIDNWVNALDV-GFCCVEGCSA-N 401.496 0.625 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cn2n1 562128982 IYQXNLYXPQIQRW-GFCCVEGCSA-N 405.422 0.375 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 565085815 KLWSRBJACJBREQ-KRWDZBQOSA-N 406.508 0.407 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@H](OC(C)C)C3(C)C)CC2)c1C#N 572406026 YIFHDRVPANWNDN-SJORKVTESA-N 416.526 0.957 30 20 HCED CC(C)n1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 573470449 RWUHAJXYKOXZFJ-SFHVURJKSA-N 408.462 0.869 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1 575457262 NOBHBMLYPBYCGA-UHFFFAOYSA-N 419.570 0.300 30 20 HCED CC[C@H](COC)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 579859987 PGJBSBNQDGCEDU-CYBMUJFWSA-N 401.423 0.996 30 20 HCED C=CCSCCNC(=O)C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1 586813234 HELWRDLODGEZOM-CQSZACIVSA-N 409.512 0.617 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 589291318 DDQLNDHWYNBBHX-KRWDZBQOSA-N 417.495 0.452 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCNC(=O)c1cccc(O)c1 726622464 JMMALYOJCVFCQO-UHFFFAOYSA-N 416.459 0.367 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 728573269 MTXILUSLMZBQOU-CYBMUJFWSA-N 407.858 0.942 30 20 HCED N#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 731236164 SIVSHNRBXXINMG-UHFFFAOYSA-N 401.828 0.157 30 20 HCED C#CCCN1CCC(NC(=O)COCC(=O)NC2CCN(CCC#C)CC2)CC1 740736313 NRIVOYXSDQMIAY-UHFFFAOYSA-N 402.539 0.211 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743734480 PGACNOCXELRGLW-UHFFFAOYSA-N 403.464 0.758 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 743878640 KUTHFRBTJWRHNO-UHFFFAOYSA-N 419.434 0.783 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H]1CCOC1 743942070 XBJUAKWIZLGVQP-WRGUXLKQSA-N 422.507 0.979 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cnn(CC#N)c2)o1 747433873 XOPUSMXEBAPGGP-CYBMUJFWSA-N 421.435 0.968 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)c1cccc(C#N)c1 748305595 DZDUKYVSPQIKHI-GFCCVEGCSA-N 415.427 0.750 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1 749989163 DURZKDVGKKUDQU-UHFFFAOYSA-N 406.508 0.325 30 20 HCED COc1cc(C#N)cc(Cl)c1OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 754655137 FKHDOMPNUXKLMG-UHFFFAOYSA-N 417.809 0.963 30 20 HCED Cn1c(N)c(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2C#N)c(=O)n(C)c1=O 758121283 CZUVDOMNJIPJSI-UHFFFAOYSA-N 410.308 0.596 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)COc3c(C)nn(C)c3C)CC2)o1 758986888 IUILHZMCCPLVGV-UHFFFAOYSA-N 416.438 0.476 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 764033470 OVCGCJPTVFMCJA-UHFFFAOYSA-N 420.447 0.284 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)cc1 768484447 ZNDRVBFPTDNIAC-UHFFFAOYSA-N 419.459 0.940 30 20 HCED C[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1C(=O)OC(C)(C)C 787778247 NXELPKHAPHDZBQ-AWEZNQCLSA-N 416.482 0.949 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H](CC)c1ccccc1OCC(=O)NC)[C@@H]1CCCO1 788065899 GHACBAZTVFYJJC-BQFCYCMXSA-N 401.463 0.676 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)n1 806177932 MVDNZQWZVZTRCQ-IRXDYDNUSA-N 417.510 0.255 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@]2(CC#C)CCCN2C(=O)OC(C)(C)C)CC1 809665235 VRNUEUSCEFLAPR-QFIPXVFZSA-N 416.522 0.673 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)n(CCC#N)n1 810460089 RMKJYVWDRNBBIO-GFCCVEGCSA-N 414.388 0.961 30 20 HCED C[C@H]1Oc2ccccc2N(CCC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813980905 KPUVRKQCDHINCT-GFCCVEGCSA-N 400.416 0.962 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)Nc1ccccc1C#N 914656550 ULGTXSBOYDLALO-AEGPPILISA-N 419.459 0.464 30 20 HCED CCc1nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)cs1 920395624 YFGQOTUAITYCBA-UHFFFAOYSA-N 420.560 0.850 30 20 HCED C=CCCOCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1065709753 ZVPCAXYOFWDTLP-KKEPMVJESA-N 403.523 0.748 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)Nc3cc(CC#N)ccn3)CC2)cn1 1219701411 NPQWZUMZQVONJO-UHFFFAOYSA-N 403.468 0.856 30 20 HCED CSc1nc(O)cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1299994150 UYNXIPXWCXWQKK-UHFFFAOYSA-N 407.477 0.649 30 20 HCED Cn1nc(S(C)(=O)=O)c2c(=O)n(CC(=O)N(CCC#N)c3ccccc3)cnc21 1324775185 CNQLYWFFZJVEGK-UHFFFAOYSA-N 414.447 0.480 30 20 HCED CC(C)(C)OC(=O)CCN(C1CCOCC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1475434456 SCYXAMYMDWYKLQ-HNNXBMFYSA-N 403.501 0.668 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1510107959 OUKYQMXSLYKTIA-UZLBHIALSA-N 419.505 0.811 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)n1 1511718737 SRKYDJHDJLIACD-QGZVFWFLSA-N 415.498 0.800 30 20 HCED CN(C)CC(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1540530177 VAIXGBMFLDAKPL-UHFFFAOYSA-N 409.284 0.932 30 20 HCED COc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(F)cc1C#N 1543058360 RHIQCAFSXPAJIB-NSHDSACASA-N 408.411 0.810 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](n1cncn1)C(F)(F)F 1557933575 XVGQZBDARVYGNB-ZWNOBZJWSA-N 416.385 0.736 30 20 HCED Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)c2cnn(C)c21 1611244502 JOCGCCXUMANINS-SMDDNHRTSA-N 400.439 0.761 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)cn1 1618401123 UNBLYXYPTKSBLA-CQSZACIVSA-N 405.484 0.232 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 1664575885 YEMVZIPCSTZBFM-OKILXGFUSA-N 403.407 0.896 30 20 HCED C[C@H]1CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1687759179 QDKCTLRDBKZQOP-INIZCTEOSA-N 405.524 0.916 30 20 HCED 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HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1841607454 NZHTZMASJFCKLW-AWEZNQCLSA-N 407.492 0.893 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1847800660 SJXXSMGJHBTXMY-OQUILHJVSA-N 414.462 0.233 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 24600366 PWLUGYXRIUKPFX-HNNXBMFYSA-N 420.535 0.882 30 20 HCED N#Cc1ccnc(N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c1 25523124 RDPJJIKXHDDNFC-UHFFFAOYSA-N 414.491 0.696 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 30924417 RLTIUODFUMVJDY-UHFFFAOYSA-N 402.423 0.283 30 20 HCED N#Cc1ccc(NC(=O)CCN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1Cl 52991138 UTKGAQHWUZVRDI-UHFFFAOYSA-N 403.870 0.963 30 20 HCED CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nc1 432798279 OJHFIBQKJLVESG-UHFFFAOYSA-N 415.479 0.953 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1C#N 435494680 BKYKZKSOBISONO-OAHLLOKOSA-N 415.494 0.988 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C 440985824 IIAOKDILUXCFNO-HNNXBMFYSA-N 423.477 1.101 30 20 HCED COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446526522 LMIUJFAECCLYKS-UHFFFAOYSA-N 424.404 0.764 30 20 HCED Cc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1S(N)(=O)=O 446576194 NMXYDPJPNOTKGA-UHFFFAOYSA-N 421.500 0.745 30 20 HCED C[C@@H]1OCC[C@]1(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 447735732 GUZGLCMMNBXLFL-LIRRHRJNSA-N 407.492 0.615 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 461481722 QRKGLYNXZCEZRM-HOCLYGCPSA-N 421.523 0.664 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 462080622 WDIAJISNYANULU-UHFFFAOYSA-N 420.447 0.608 30 20 HCED COC(=O)[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 471490040 YLRCROBAGGLYAS-QGZVFWFLSA-N 421.475 0.359 30 20 HCED COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479309334 IJXVCPVMFJBYGL-GOEBONIOSA-N 409.464 0.671 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cn1C 480413376 PGKINMPUEZKKBO-UHFFFAOYSA-N 416.507 0.935 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CS(=O)(=O)CC 481890232 IFEHDTHXOGVYNF-UONOGXRCSA-N 415.537 0.897 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCN1CCN(C)CC1 482146476 WMEWCCKZKQZSFL-INIZCTEOSA-N 407.540 0.321 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC1 502775842 CXBNCPARXMOMET-UHFFFAOYSA-N 419.429 0.225 30 20 HCED CCN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@H](C)C#N 506062064 VCZHJGJPBQAREN-VQIMIIECSA-N 400.479 0.979 30 20 HCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2ncccc2O)cc1 510559175 LVQRSYDLQIRWTP-CQSZACIVSA-N 411.443 0.929 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(F)(C#N)CC3)CC2)cc1 510952376 NXJGEQFKXUEXTO-UHFFFAOYSA-N 424.498 0.856 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3ccccn3c2=O)CC1 512794801 JCGCFDYTZUCAQJ-UHFFFAOYSA-N 423.454 0.713 30 20 HCED CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513088889 MBAUOKCPOKRABB-LLVKDONJSA-N 407.427 0.761 30 20 HCED C[C@@H]1CN(C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1 521593710 MVJFSVMMQDASMD-CKEIUWERSA-N 400.435 0.625 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2cccc(C)c2)N2CCOCC2)C1=O 522243087 IKNXFQCUVIAJQR-QGZVFWFLSA-N 414.462 0.461 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCNC(=O)c2ccccc2F)CC1 524592577 OYPZYADXSZXZAM-HNNXBMFYSA-N 405.474 0.573 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCCO1 535331098 BBDYELDEKKCTMC-INIZCTEOSA-N 424.482 0.725 30 20 HCED C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 538259034 UYFUOAAYYHRFIE-MRXNPFEDSA-N 420.535 0.796 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 540296272 MBASMWMPZFPLAE-UHFFFAOYSA-N 413.459 0.936 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCCC2)cc1 552700615 WAHOINUDYLIICO-UHFFFAOYSA-N 422.551 0.873 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1)C(N)=O 553336582 YSKDZNACKCSVKW-UHFFFAOYSA-N 419.869 0.769 30 20 HCED C[C@@H](O)C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 567427914 IQVGILRWIFOWRD-ZBFHGGJFSA-N 412.494 0.925 30 20 HCED CC(C)CN1C[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCN2C1=O 572657003 QHHUOXUPQGVFED-MRXNPFEDSA-N 419.507 0.441 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 574660399 ZDKYXKSRQSOZGX-UHFFFAOYSA-N 402.495 0.632 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 582113685 OIXCGSJHQAHJFI-UHFFFAOYSA-N 420.385 0.806 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 582574435 JOURCQFKBVUEBL-CYBMUJFWSA-N 405.484 0.629 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3ccnn3C)c2=O)cn1 588893330 PRSMIQYYTXEEFK-UHFFFAOYSA-N 409.471 0.764 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 592301948 FXTABNILZQBLID-SFHVURJKSA-N 409.575 0.895 30 20 HCED CSc1nc(C2CC2)cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1C#N 608964748 OSFYNMJYDBKJFC-UHFFFAOYSA-N 412.479 0.524 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 609756891 ZIAITESUWSFROT-UHFFFAOYSA-N 412.450 0.902 30 20 HCED C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 679819561 PYQGVOQGAQSCJN-NOLJZWGESA-N 402.900 0.765 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 725907918 RYQTVRYYLWWESH-GOSISDBHSA-N 420.535 0.271 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(C(N)=O)C1 733971552 LUIFGZPNYGTNRP-OCCSQVGLSA-N 407.496 0.409 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cccc(C(N)=O)c3)nc2)CC1 755551711 GQEOBDIPZWVSMQ-UHFFFAOYSA-N 402.480 0.563 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 756894218 JJSKYTPASMVXLJ-SOUVJXGZSA-N 414.528 0.923 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 756919655 HRXMNOHKPWEXFK-STQMWFEESA-N 405.455 0.726 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCN2C1=O 758764561 WJRIMAFMOCINIV-RDBSUJKOSA-N 420.470 0.423 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N[C@H](C)C(=O)N(C)C)CC2)cc1 762667799 AYCDIVJZEVNICW-OAHLLOKOSA-N 424.523 0.745 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@@H]1N1CCOCC1 763712607 HMJVDGCCNYOHFY-CVEARBPZSA-N 406.508 0.485 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC([C@H](O)C(F)(F)F)CC1 766239868 JLQHPESWEPETGD-AWEZNQCLSA-N 405.398 0.887 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(F)nc3)CC2)cc1 766344311 ZJOHYTMNDXSRGA-UHFFFAOYSA-N 417.422 0.564 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769647958 XNWPBGQVSWFSPC-UHFFFAOYSA-N 409.515 0.356 30 20 HCED CCN(CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 770805452 KJFBPNLJFQLVBF-INIZCTEOSA-N 411.524 0.937 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCCc2c1cnn2CCO)c1cc[nH]n1 772435007 UHDJAGVRQLSUNL-ZDUSSCGKSA-N 404.427 0.076 30 20 HCED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@H]1CCCO1 775323524 JTPBXJXSDJBPKG-RBUKOAKNSA-N 419.503 0.450 30 20 HCED C=CCCOCCCCC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 775665071 YCQSOFUYPUBCBQ-INIZCTEOSA-N 422.569 0.411 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782249256 HJFXSJMFYNGESI-UHFFFAOYSA-N 402.457 0.540 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 782675685 MRNBJGUKVVXRDH-UHFFFAOYSA-N 416.521 0.868 30 20 HCED CN(C[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 790383180 CQFNXHZFWTXLEA-MELADBBJSA-N 406.480 0.735 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cncs2)c1=O 794580839 DCCDYCKNXJCKTN-GFCCVEGCSA-N 405.501 0.511 30 20 HCED O=C(NCCCn1cc(Br)cn1)NCCN/C(O)=C1\N=CC=CC1=O 806782105 UWKTYGIVHMGDDR-BUHFOSPRSA-N 411.260 0.861 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCC(N3CCCCC3)CC2)CC1 807684201 QWWVGICHHAILOX-UHFFFAOYSA-N 419.570 0.346 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)C1=O 808771307 WRDBRHWEBFWQBG-PMPSAXMXSA-N 422.526 0.993 30 20 HCED 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C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839380217 DQCKSEJUKUAPMX-JOCHJYFZSA-N 423.473 0.751 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(=O)OC)c3ccccc3)C2)C1 1839806023 XIIUNJGQIPODKV-WIYYLYMNSA-N 415.446 0.173 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnsn3)C2)C1)C(F)(F)F 1839892068 QQOBVDZCSWRMIA-AWEZNQCLSA-N 406.386 0.727 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050819 UAQXHKRXCZBXFR-NLJKLAEJSA-N 423.510 0.811 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)CCC1 1840811662 RZLZCXQDHOFAPG-OXQOHEQNSA-N 403.435 0.463 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2Cc3[nH]nc(C(F)(F)F)c3C2)C1 1845858782 OGRRBCWYOOROAQ-JTQLQIEISA-N 410.352 0.435 30 20 HCED CS(=O)(=O)c1cncc(C(=O)N2CC3(CCCN3C(=O)C3(C#N)CCC3)C2)c1 1846972332 WIWKTHQRXQYDDM-UHFFFAOYSA-N 402.476 0.996 30 20 HCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1)C(=O)O 1846978864 BUXVQQCGJCBZOI-HNNXBMFYSA-N 400.435 0.203 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 22249380 CJPRACSMODNDCN-SFHVURJKSA-N 409.512 0.796 30 20 HCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 302857395 PXMSZIUORQWGLX-OALUTQOASA-N 402.543 0.764 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 409501366 MIFPMEYDNVRFPK-CQSZACIVSA-N 400.505 0.765 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 409588819 YAQYPVHTEDTLEA-UHFFFAOYSA-N 423.539 0.917 30 20 HCED C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)s1 433010198 XGNGAVRNBSKRJO-UHFFFAOYSA-N 410.525 0.930 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCSC 443566249 PSWPNQQFKIWOFB-UHFFFAOYSA-N 403.529 0.538 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccn(CC(F)F)n3)CC2)cc1 444496358 IVNQEEMENFGBDG-UHFFFAOYSA-N 402.405 1.303 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(COC)cc2)c1=O 461366146 VYMSFMYERYWYLI-UHFFFAOYSA-N 413.499 0.438 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 467413474 NEEMZHVDEAIHFN-GFCCVEGCSA-N 400.478 0.978 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 471108832 SXIYXRHGBPEMDU-RBUKOAKNSA-N 416.503 0.894 30 20 HCED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 471239813 ZWGCBQYABUPBCV-GFCCVEGCSA-N 418.928 0.459 30 20 HCED N#Cc1c(CCCNC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)nn(-c2ccccc2)c1N 471460310 TXOOSIVJFOVWCN-YOEHRIQHSA-N 411.466 0.591 30 20 HCED CCOC(=O)CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481279076 AOPZWYHIKSVRNV-HNNXBMFYSA-N 422.507 0.322 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 481786694 KXRQEUDIXZFNAK-INIZCTEOSA-N 412.464 0.182 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3C(=O)[C@@H]4CS(=O)(=O)CCN4C3=O)C2=O)cc1 484471280 HWADXRXSXSMSKS-GJZGRUSLSA-N 402.432 0.115 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CC(N)=O)c3ccccc3)n2)cc1 486524574 GIYHTFSNWRGIBK-KRWDZBQOSA-N 417.429 0.869 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3C#N)CC2)C[C@@H](C)O1 495025174 GNLXYLCESFWPEG-OKILXGFUSA-N 410.471 0.809 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sn1 498183553 MSZBRBQYOFIGSW-UHFFFAOYSA-N 419.488 0.795 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1=O 502909578 HCJHJJINXCDRBQ-OAHLLOKOSA-N 412.475 0.372 30 20 HCED CC1(C)[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]2CCO[C@H]21 503733760 FAHZUNJFHPAETI-BSDSXHPESA-N 410.474 0.705 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1=O 505281736 RJXFRWFTCGTLMC-QGZVFWFLSA-N 407.430 0.990 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cl)cc1I 508983110 BOHROGLFVNPNNP-UHFFFAOYSA-N 420.594 0.639 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 509725056 BSQIRHXOIYHQGT-WDEREUQCSA-N 419.912 0.429 30 20 HCED Cn1c(NCCCNS(=O)(=O)c2ccccc2Cl)c(C#N)c(=O)n(C)c1=O 513045053 ATDLJUXABJALKQ-UHFFFAOYSA-N 411.871 0.390 30 20 HCED N#C[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 518499650 WPLZKPYIJGXEFG-HOCLYGCPSA-N 408.436 0.889 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)n(CCC#N)n1 519563052 GBSLLHGTSARKJX-CQSZACIVSA-N 402.842 0.910 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CCC#N)CCC#N)CC1 534833444 CXIQOCFOAKBWKJ-UHFFFAOYSA-N 408.484 0.254 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 535282617 AHOMFYZOACAFNB-UHFFFAOYSA-N 412.512 0.650 30 20 HCED CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H](O)CN1CCOCC1 537248678 OGFBGFYKLQWIBE-MSOLQXFVSA-N 421.567 0.082 30 20 HCED CN1CCN(c2cc(CNC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)ccn2)CC1 538071574 BHWKNYOKXVFXQY-UHFFFAOYSA-N 424.509 0.911 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2cnc(C(=O)OCC)c2)cc1 538832877 SBHDHHWUDYNCQT-UHFFFAOYSA-N 406.464 0.954 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 539453280 JXVPHMKKYSAVQM-OWCLPIDISA-N 406.508 0.719 30 20 HCED C=CCNC(=O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 540794730 UXGPLCLGVDEMNB-AWEZNQCLSA-N 415.899 0.292 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)c1 548586070 AHHRXLLWHHKKPM-NSHDSACASA-N 423.266 0.193 30 20 HCED CN(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 549304534 OPIQFBYBNVIWDJ-UHFFFAOYSA-N 414.871 0.671 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 555255981 CBMLIHMIQUVHKZ-MRXNPFEDSA-N 402.499 0.918 30 20 HCED C[C@H]1CCCCN1CCCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 556170001 DHHHHZRVPWIKKC-HNNXBMFYSA-N 403.531 1.025 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)CC2)nc1 557089696 RUJPRKAQJWOWJX-CQSZACIVSA-N 410.400 0.355 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O 560769073 VAEBWJPGKJVPKD-OAHLLOKOSA-N 408.476 0.654 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 563676957 XGLIZJDOGNMNFQ-CYBMUJFWSA-N 400.526 0.679 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 564067533 QITRSIKXSALKFR-XJKSGUPXSA-N 420.491 0.061 30 20 HCED COC(=O)CC1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 565081753 ZOPPQWBBLMBCLV-UHFFFAOYSA-N 423.491 0.968 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n1 578329185 YKFXGBRTZNXKNU-UHFFFAOYSA-N 415.429 1.452 30 20 HCED CCN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)CC1 578471635 FBPQMPXOZLSBLW-UHFFFAOYSA-N 405.524 0.908 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)C1=O 579263588 ACMKQXLZZNWBOX-MSOLQXFVSA-N 402.495 0.659 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)C1=O 579688822 MMUCAUDROJJDEA-MRXNPFEDSA-N 404.442 0.225 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 583395047 FKIWVIBZISLEQL-UHFFFAOYSA-N 422.507 0.073 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)cc1 589506606 JBURIEVVZXAHIP-QAPCUYQASA-N 402.432 0.584 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1 590543141 IZPFMEBELHBRAR-MRXNPFEDSA-N 405.476 0.698 30 20 HCED C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 592069470 QXVYPUNROQXSQU-UHFFFAOYSA-N 406.508 0.187 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 609458156 OTDNTSVMAFKTLB-QGZVFWFLSA-N 423.495 0.956 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)nc1 609686446 JJDFVEORYBKKEM-IBGZPJMESA-N 413.526 0.191 30 20 HCED N#Cc1ccc(OCC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 609984705 YBWFDJCYLLQXDT-UHFFFAOYSA-N 408.462 0.912 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnnc3C#N)cc2)C[C@@H](C)O1 612402236 UPOPWXDYVKDJRR-CHWSQXEVSA-N 404.452 0.586 30 20 HCED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 671357490 KLDVEQWARWSJRM-UHFFFAOYSA-N 422.551 0.285 30 20 HCED C[C@@H](NC(=O)c1ccoc1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)c1ccoc1 680340020 SHJKPHHZTRIIJJ-ZIAGYGMSSA-N 414.418 0.045 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C1=O 725903280 GONUBIAMVQRFOX-ZDUSSCGKSA-N 408.455 0.821 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnn(CC)c2)c1 727671152 QWGMANXPOCNFEK-UHFFFAOYSA-N 402.476 0.938 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 731861216 POFPCGZXEAYAJE-JTFSYWPOSA-N 424.504 0.544 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc4c(c3)CCC4)c2=O)cn1 732563397 XGWYMAIUPWFAMQ-UHFFFAOYSA-N 419.510 0.853 30 20 HCED CCCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C)c2)c1=O 732662998 HMNNGAMDNPNIQK-UHFFFAOYSA-N 417.560 0.522 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CS(=O)(=O)c2ccccc21 736156275 KMPJHWNAWDQFAM-CYBMUJFWSA-N 405.457 0.370 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745497884 XHPKHMUMUHKURL-LLVKDONJSA-N 408.436 0.059 30 20 HCED CCOc1ccccc1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746354186 FHYFXDMLXWEZIT-UHFFFAOYSA-N 410.434 0.728 30 20 HCED COc1ccc(Br)c(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c1 747809699 NTQSHVFZIQIARV-UHFFFAOYSA-N 419.260 0.193 30 20 HCED N#Cc1ccc(NCCNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc1 755114423 CWMTXROGPDTYBZ-UHFFFAOYSA-N 420.417 0.978 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(CC)s2)c1=O 758060071 YAHPXEDIYNTIFN-UHFFFAOYSA-N 413.524 0.529 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 758067863 ITXLNFCWAKKQFD-UHFFFAOYSA-N 413.455 0.259 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2c(=O)nc(O)c3ccccc32)C1 758771313 NRPMWKCUSWNLKB-OCCSQVGLSA-N 413.434 0.977 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 761032421 HNUCQTDSLMRQDJ-UHFFFAOYSA-N 415.397 0.739 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 764158124 AOLBHPKZRHEJHZ-UHFFFAOYSA-N 410.434 0.678 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(CSCCO)ccn1 764929413 WBJXZUWMMKJVTC-UHFFFAOYSA-N 406.489 0.984 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(Sc3ccccn3)o2)c(=O)n(C)c1=O 766452377 GFYGVMRJJOCSBC-UHFFFAOYSA-N 421.460 0.536 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12)c1cc[nH]n1 772599017 VWZZCTFDFLYRMH-FQEVSTJZSA-N 411.418 0.816 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)OC[C@H]3C2)CC1 775978845 VUPSTJUDZFRORB-MSOLQXFVSA-N 401.442 0.671 30 20 HCED CC(=NNC1=NC[C@@H](C)N1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 779797318 FJOYABHKPKSGQU-GFCCVEGCSA-N 407.496 0.833 30 20 HCED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2nnn(C)n2)cn1 783042160 WUZKAVJJTORDEF-LBPRGKRZSA-N 416.467 0.414 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)c1 790930756 DEGWLQRGTTXDLV-MDOVXXIYSA-N 404.467 0.783 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 792445433 QMQOPGHRGHMWSG-HNNXBMFYSA-N 407.492 0.873 30 20 HCED N#Cc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1Cl 801070118 CCPIDPCTXKUDAJ-ZDUSSCGKSA-N 408.867 0.993 30 20 HCED C#C[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccc(Cl)cc1F 804423484 QCJAQGTYULQYFY-ZDUSSCGKSA-N 403.801 0.717 30 20 HCED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 811756731 RENMJPBPYAKAQY-ORAYPTAESA-N 415.454 0.080 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(F)(F)[C@@H](CO)C1 812644627 SYJNDZRZIQLXCX-GFCCVEGCSA-N 401.435 0.981 30 20 HCED C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 815082813 GSRPFJALEBLJMR-UHFFFAOYSA-N 401.554 0.951 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 815540415 WWUHFWWOUQJBMX-UHFFFAOYSA-N 410.399 0.988 30 20 HCED CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCN(O)C1=O 820475882 BVAJPLVDLCUBQX-ZIAGYGMSSA-N 410.452 0.943 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCc2nc(O)c3cnn(C)c3n2)cc1 920511440 KTEYWLRMYHRYHF-UHFFFAOYSA-N 403.420 0.890 30 20 HCED CCCCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1119600577 XIEOLGNBMMIASS-GOSISDBHSA-N 411.506 0.972 30 20 HCED N#CCCN1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1203950371 XRESIRPBZHWQHQ-UHFFFAOYSA-N 408.484 0.166 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC1 1251867210 ZCJJZHDUGXMPGU-UHFFFAOYSA-N 407.515 0.271 30 20 HCED CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1297990939 UBYPTHVGXWJXQH-HNNXBMFYSA-N 408.528 0.789 30 20 HCED COC(=O)NC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1324043693 VCAHHPJPTHBAMX-UHFFFAOYSA-N 406.464 0.526 30 20 HCED C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1359141961 XJFPEEBPPBUXDM-UHFFFAOYSA-N 419.873 0.973 30 20 HCED N#Cc1ccc(-c2cc(N3CCN(C(=O)C4=C[C@@H](O)[C@@H](O)[C@H](O)C4)CC3)n[nH]2)cc1 1469887348 VXAYIDPETCGTQN-QWFCFKBJSA-N 409.446 0.010 30 20 HCED CCS(=O)(=O)NCCn1c(C)nnc1N1CCN(c2ccccc2C#N)CC1 1516847394 RXVMVEDOQRRWLZ-UHFFFAOYSA-N 403.512 0.724 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1517630715 YIBWCPGTRKRGSM-CYBMUJFWSA-N 417.495 0.033 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1608401850 VPOUEIQLYKJYPB-GUYCJALGSA-N 412.491 0.683 30 20 HCED N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)sc1Cl 1639276367 MVLRVYCNQHMJJA-UHFFFAOYSA-N 401.857 0.871 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@@H](O)[C@@H](CO)C1)CCCC2 1653845564 VMKPMXNHLFBLKE-ZRGWGRIASA-N 402.495 0.641 30 20 HCED CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1695130227 QXQGMKLBSSUJIY-XEZPLFJOSA-N 400.505 0.168 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712885061 YEMIIDOMXHNOOC-CVEARBPZSA-N 402.480 0.427 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(C)(=O)=O 1741128597 YYGYLSKHSURETJ-ZDUSSCGKSA-N 420.495 0.861 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)CC1 1749877908 BFUFRGVIRPVRLD-OAQYLSRUSA-N 412.494 0.737 30 20 HCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C 1761423488 NVWWQCCJUQNUOO-HNNXBMFYSA-N 418.523 0.914 30 20 HCED N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCOCC2)c1 1771530468 LVYLQALEJHOLQF-SFHVURJKSA-N 409.494 0.851 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)Cc3cccnc3)C2)CC1 1778057670 HZCLMWNWVBFJNQ-NJNPRVFISA-N 411.506 0.769 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778577880 LPSYAPJCRLOLHO-BLVKFPJESA-N 405.476 0.779 30 20 HCED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065212 VUMPMCRNRBUGQJ-HXUWFJFHSA-N 401.467 0.255 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779077005 WFOIGGLPQLVQPY-UZLBHIALSA-N 421.450 0.005 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n1 1779100029 RDSRJMXSDBUDPM-DSLRRYSGSA-N 419.482 0.550 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1779363848 LWEMFMIRTKKGTA-ONXXKREJSA-N 419.526 0.108 30 20 HCED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779444862 PPSIEWCZWPZGGO-JGYVSQDVSA-N 418.494 0.739 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1cc(O)no1 1779801458 AJBZSZKAHPJDOA-JFVAUKISSA-N 419.482 0.979 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1781266979 IDMVRJQZEVVNAA-SFHVURJKSA-N 408.480 0.678 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4cccnn4)C3)C2)cc1 1784452952 WEZWRBMZTAYSOU-QFIPXVFZSA-N 421.457 0.800 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1)C(F)(F)F 1784669474 LVBUNPSCBPIIPE-GVXVVHGQSA-N 400.357 0.894 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1785375640 FSPRPBKVYQSGMZ-NRFANRHFSA-N 407.430 0.871 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccs4)C[C@@H]32)CC1 1786694107 HMBDTCPJWCOROV-KKUMJFAQSA-N 416.503 0.761 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOCC3)C[C@@H]21 1788573555 XRBMQYMSIDUMTC-CADBVGFASA-N 423.554 0.262 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788616242 JNQAXLKFGWPFSB-IHRRRGAJSA-N 418.510 0.662 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(N(C)C)ccc3[N+](=O)[O-])[C@H]2C1 1789232720 MLZRDYIKSQZENK-OWQGQXMQSA-N 400.435 0.887 30 20 HCED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(CC#N)cc3)C[C@@H]21 1790868290 NVPUALIDAXRRRQ-DSYPUSFNSA-N 412.490 0.871 30 20 HCED Cn1ncnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792836291 YYZYTRTZMKCTBQ-JLVBRIDZSA-N 413.865 0.723 30 20 HCED C=CC[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(O)O)NC(=O)OC(C)(C)C 1792902514 QLRLOUXUIOECFY-APIJFGDWSA-N 411.499 0.795 30 20 HCED O=C(C/N=C/c1ccco1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1C(=O)C=CC1=O 1793851233 CZIPQTWQPRZWBU-KEBARPIWSA-N 412.446 0.652 30 20 HCED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)cc1O 1794326337 UGJGLOORUHPXNG-IVWMJMPLSA-N 413.409 0.653 30 20 HCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1795275542 JRAZEAZDDUZYGS-SCAQPMJSSA-N 409.402 0.573 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc(O)n[nH]1 1795692388 BMIOJZDQOAGACG-ZSBFGKGUSA-N 402.451 0.017 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)c1 1795891884 IHFTWWWDRAREQF-HGKCTWBKSA-N 410.434 0.062 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(OC)ccn1)C2 1797711741 IOQBHBNOHDPGBB-LTCOOKNTSA-N 403.479 0.867 30 20 HCED Cc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797812173 ZHMFLGRXMCPOFR-LPUCPTHISA-N 406.439 0.715 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)C(F)(F)F)C2 1798400499 NRQYNZQTCIBUGJ-YVECIDJPSA-N 405.417 0.876 30 20 HCED CCNC(=S)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798433580 VMVMINAIUQUIHK-AJFUOTTMSA-N 408.572 0.580 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2 1799302586 GFPSMVNTQXTHNN-XOIINTDNSA-N 422.869 0.843 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(OC)c(OC)c1OC)C2 1800451110 WYBMXOIWSMJBRV-NSRWAZGNSA-N 414.458 0.948 30 20 HCED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1n[nH]c2ccc(C#N)cc12)n1cnnn1 1800879159 CTFIDXGFZSCNGS-REBRKWNGSA-N 419.449 0.934 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCSC 1801029422 WSMLYYWHUZZGAW-QRJUGERDSA-N 400.541 0.263 30 20 HCED Cc1cnc2c(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CCC3)cnn2c1 1801980294 HEGBGZMEJXEQHU-SCAQPMJSSA-N 408.462 0.935 30 20 HCED CN(C)CC(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1806454547 ILZGWVOZLBJEED-HKUYNNGSSA-N 400.527 0.931 30 20 HCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)[C@@H]2c2cccnc2)CC1 1806849981 JKEIKGCAWAXDNE-XJKSGUPXSA-N 408.418 0.906 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1810247276 SRRHGZCSCNPXBT-SOLBZPMBSA-N 423.535 0.705 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)c1 1811539548 ZIIJKXXLISHBLZ-CAMMJAKZSA-N 408.462 0.324 30 20 HCED Cn1cc(CCC(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1812878253 FQWMWEXRWACUNH-UTKZUKDTSA-N 409.446 0.542 30 20 HCED NC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1814226608 SGXPLCLKTJHZMN-ZPGQBHAFSA-N 412.450 0.468 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)CCC#N)sc2C1 1814497102 GRJVYGFDGSIZAL-GXTWGEPZSA-N 422.463 0.854 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1814984030 HTZJBEQKLFYTNW-NSHDSACASA-N 403.464 0.425 30 20 HCED CC(=O)N1CCN(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)CCC#N)CC3)CC1 1818893486 CPMFRDFOTCEOTI-AWEZNQCLSA-N 418.523 0.523 30 20 HCED Cc1cnn([C@H](C)C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825674276 FZFHFXPUDUEQPW-NEPJUHHUSA-N 401.448 0.909 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 1830683765 WVMFRYGCDVABEG-LJQANCHMSA-N 421.837 0.880 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H](C(=O)OC)C1)CCO2 1830717485 INYRMTVYTJCWPF-FGSXEWAUSA-N 420.506 0.836 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1831401612 CVXAERUYIOWYJY-JLSDUUJJSA-N 400.422 0.526 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1831401766 FCVPYNFPEQDKHZ-LZJOCLMNSA-N 418.494 0.247 30 20 HCED CC(C)c1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)no1 1832791424 FZSQPUGRQNOYJV-SCLBCKFNSA-N 412.512 0.510 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccs1)CCO2 1833035000 VGEGBUUKKMDAPD-HXUWFJFHSA-N 419.503 0.348 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c1 1834105650 BIDWZLWTJQHESV-NRFANRHFSA-N 409.446 0.974 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CC[C@@H](N)C(N)=O)CC3)CC2)C1 1834732297 POJHVKFKIRRVQE-GOSISDBHSA-N 405.543 0.117 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n[nH]3)CC2)CC1 1834770222 GVMZWBSJEDNBFD-QGZVFWFLSA-N 419.526 0.874 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(Br)CC4)C3)C2)CC1 1835346166 SRXMAQOENOVCKE-MRXNPFEDSA-N 412.284 0.674 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CNc3ccccc31)CCO2 1835722578 OXEAOWAHYDYURD-DKICVRJWSA-N 405.520 0.970 30 20 HCED CC(=O)O[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)C(C)C 1837212729 DNFITZHSGGRMFQ-UZLBHIALSA-N 409.483 0.580 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1837403283 JUAVCMLBISDLHB-PASBJYMKSA-N 423.510 0.056 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440064 BGRSJVYAOSTWOG-ODSDJFLOSA-N 410.515 0.197 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3Cl)CCO2)C1 1837775443 XESGLIFLCIKWJM-QRWLVFNGSA-N 421.881 0.843 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)c(O)c3)C2)C1 1839809257 JHAJEXJTSPLQPL-SFHVURJKSA-N 423.263 0.858 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)cc1 1840011573 CGGRMCTYXAIRBT-UGKGYDQZSA-N 413.474 0.736 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1C 1840043453 ZNWSNUXLFNFDDI-OAQYLSRUSA-N 400.431 0.461 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840842165 RGNLSWMZMQJBNG-OFNKIYASSA-N 411.502 0.571 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840844390 TUVNCKKVYSAHTA-UGKGYDQZSA-N 400.475 0.460 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2nc(OC)ccc2[N+](=O)[O-])C1 1843585107 ATWPBRTUOHVUMH-ZDUSSCGKSA-N 402.407 0.854 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)CCC#N)C3)C1 1845105625 TYJLBSWXFNYFMC-HUUCEWRRSA-N 406.483 0.721 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CCc2nc(N)n[nH]2)C3)c(C#N)c1 1845138942 KIXJHTANFGQICI-UHFFFAOYSA-N 423.477 0.646 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CNC(=O)C2)C1 1845996194 QNUFTKVEJXVQLM-CABCVRRESA-N 420.510 0.795 30 20 HCED Cc1cn(CC(=O)N2CCCC23CN(C(=O)Cc2ccc(C#N)cc2)C3)c(=O)nc1O 1846967616 JHOCQSZUNOYNCH-UHFFFAOYSA-N 421.457 0.575 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)c1ccc(OC)cc1 1847259814 BDJDSBRHCZJAJB-BFBMHGIHSA-N 413.474 0.789 30 20 HCED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCN(c2ccccc2C#N)CC1 52801084 PKAKFOISHRTNNV-AWEZNQCLSA-N 410.478 0.321 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1nnc2ccc(C(F)(F)F)cn12 409532820 DBDAUKKTKVNXAC-UHFFFAOYSA-N 406.390 0.945 30 20 HCED C[C@@H](C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)n1cnc(C#N)n1 409688344 SYCMOBFPFIIDTN-GUYCJALGSA-N 410.434 0.658 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)NCc1cccc(C#N)c1 433054645 VNLMMEILECFRFP-UHFFFAOYSA-N 402.476 0.833 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 441193966 BEUCFIXIPUAVDQ-AWEZNQCLSA-N 408.842 0.970 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)ccc1C 446154969 XRKJOPRZHSOHIT-UHFFFAOYSA-N 415.540 0.842 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)ncc1Br 446457735 NNWFIXUUTANISL-UHFFFAOYSA-N 406.244 1.017 30 20 HCED COc1cc(C(=O)N(CCC#N)CCN2CCOCC2)sc1S(N)(=O)=O 447429027 SUIZCGGUQYZTOC-UHFFFAOYSA-N 402.498 0.092 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 460575132 LSJNJUBNINXYDU-JKSUJKDBSA-N 423.477 1.149 30 20 HCED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)Cc1nnnn1C 466495736 NHIIWCSGWZMVTI-UHFFFAOYSA-N 411.426 0.110 30 20 HCED C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468031363 VOIRVCSPIWIZMB-JLTFKRJCSA-N 422.485 0.753 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)[C@H]3CCCO3)CC2)cc1 468632500 PSBXPJIEXQZWNV-QZTJIDSGSA-N 407.492 0.615 30 20 HCED COc1ccnc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)n1 471312732 BXEBAKIJXULTPO-UHFFFAOYSA-N 404.408 0.776 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 474815313 FFAOXAZIOOEKND-INIZCTEOSA-N 421.567 0.757 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 478846588 UFNJHZMGTFLZFC-GFCCVEGCSA-N 417.418 0.993 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)cn1C 483519221 LFLMABCDQBCEQX-UHFFFAOYSA-N 416.507 0.223 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC2(CS(C)(=O)=O)CC2)cc1 484056589 LVOKLLOICHMWMK-UHFFFAOYSA-N 408.480 0.874 30 20 HCED Cc1nc(Cn2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nn2)no1 486133305 YGWQGNHWEAPMBQ-OAHLLOKOSA-N 406.406 0.815 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4ccccn4)CC3)n2)cc1 490864772 NXYSXIZXLKYNRQ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CC[C@H](C)[C@H](NC(=O)CNc1cccc(C#N)c1)C(=O)NCCN1CCOCC1 494999785 VNDPOTQNKUABCU-JXFKEZNVSA-N 401.511 0.949 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 497352786 RWCXYEVQJGAHMC-UHFFFAOYSA-N 422.467 0.815 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)C1=O 500023472 IAFJUMOAOSOANJ-OAHLLOKOSA-N 424.523 0.603 30 20 HCED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 500799283 KBIIEHIIMIKPKD-CRAIPNDOSA-N 407.492 0.979 30 20 HCED CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C 502059851 YYLQQXJSSGENOH-UHFFFAOYSA-N 409.471 0.721 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(-n2nnnc2O)cc1 507876046 VTVCQIZALFLKIQ-LLVKDONJSA-N 413.419 0.545 30 20 HCED CN(C)C(=O)CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 510893493 LTHCHADVWASQTG-UHFFFAOYSA-N 406.508 0.896 30 20 HCED N#C[C@H]1CN(C(=O)NCCN2CCCS2(=O)=O)C[C@]12C(=O)Nc1ccccc12 514001737 NEUHIGNGSUFUQV-UGSOOPFHSA-N 403.464 0.077 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1=O 522724476 HDYRMEPEPKAIRD-UHFFFAOYSA-N 406.420 0.142 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)c1 524281416 VZSNAMPIQFSTIK-UHFFFAOYSA-N 413.499 0.912 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 531722048 ALTODWZKZUSOBN-UKRRQHHQSA-N 422.507 0.592 30 20 HCED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 533086018 VUQKLEGIKODFHB-NSHDSACASA-N 408.299 0.633 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1C 534154365 NOEHUZZNKORZIY-UHFFFAOYSA-N 424.461 0.664 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)c1C 534932049 QDYCDQHYASMRSA-INIZCTEOSA-N 407.434 0.535 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)CC1 536965977 VMTBHIZPGCIAGH-UHFFFAOYSA-N 410.496 0.772 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 540452569 URIVBLIOQAZRNC-ZDUSSCGKSA-N 402.546 0.316 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)CN1CCOCC1 541145734 MGXGJCUVNGAYSR-CQSZACIVSA-N 414.441 0.906 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NCc2ccccn2)cc1 544379116 VEUMARMJGXLCGV-UHFFFAOYSA-N 402.476 0.982 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)C1=O 552936487 CPDINHIAGNCVQZ-QFBILLFUSA-N 414.506 0.883 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1=O 554149718 BFHDTDVDOONVBL-GDBMZVCRSA-N 415.469 0.862 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 556389968 JEXPRIGNFUEMPH-UHFFFAOYSA-N 407.356 0.999 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 556390069 OMOBHZNGGWTOMD-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)C2)c(F)c1 557653660 VGMTYXWRPBMKGG-CQSZACIVSA-N 411.441 0.950 30 20 HCED COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 558840987 SETSVKGPKDFPJA-UHFFFAOYSA-N 416.459 0.830 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)C1=O 564062075 DBITYESRVIBGIQ-GFCCVEGCSA-N 424.383 0.610 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)C1=O 565911414 HHTKFENYUPGKJC-NVXWUHKLSA-N 400.479 0.635 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CNC(C)=O)C1 571123391 VFJUBEOVSYOHRN-INIZCTEOSA-N 402.451 0.897 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@](C)(C#N)CSC)c1 571201550 OECZLGXFDGKLTK-INIZCTEOSA-N 400.526 0.640 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1=O 575007828 QOOLFZMCTKRHNH-MOPGFXCFSA-N 414.506 0.421 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CN1C1CC1 589114676 VAZZHZVKRDADEK-UKRRQHHQSA-N 412.494 0.814 30 20 HCED C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CN(C)CCO1 589138417 GHUAWKIFBOQUKF-APWZRJJASA-N 401.511 0.284 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CC(C#N)C1 590485078 NOHWIFLLFGYPRI-AWEZNQCLSA-N 419.912 0.404 30 20 HCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 604174758 OSVLVYFOYKZXGE-YJBOKZPZSA-N 407.492 0.771 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 604524559 QJUABCXRPYLUQZ-OAHLLOKOSA-N 413.521 0.918 30 20 HCED O=C(NCC#Cc1ccccc1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 605324569 OSGHMINEHHKVJZ-UHFFFAOYSA-N 406.508 0.379 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 609042919 HYASOVIOVPAIJC-UHFFFAOYSA-N 423.539 0.293 30 20 HCED COCCN1CCC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 609609954 GKXXWJRKRREFMK-FUHWJXTLSA-N 413.478 0.990 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC1 728589876 LIIIHKQLHNDYTB-UHFFFAOYSA-N 400.589 0.992 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccccc3C)CC2)c1=O 732465936 NOCDDHQSZZGILX-UHFFFAOYSA-N 411.506 0.627 30 20 HCED C[C@H](NC(=O)OCc1ccccc1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910319 OHXXGXOCWQADKA-ZFWWWQNUSA-N 407.448 0.267 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CN(CCOC)C(=O)OC(C)(C)C)CC1 733953716 DPIIIYOESODERF-UHFFFAOYSA-N 410.515 0.154 30 20 HCED C#Cc1ccc(C(=O)Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)nc1 734775312 FOCPVOWECOIKQG-UHFFFAOYSA-N 413.455 1.000 30 20 HCED C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741343136 ZSVAGDMTKMSPGG-ZOOJYTAQSA-N 406.439 0.851 30 20 HCED COCc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1 742143956 OWYLDSNNWVAUFC-UHFFFAOYSA-N 403.485 0.127 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C 744539000 BJXIHFXOUWABGF-JASJWYONSA-N 414.422 0.932 30 20 HCED CCN(CCC#N)C(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745498623 YTJMHEXPLNODJI-ZDUSSCGKSA-N 406.464 0.809 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2C)c1=O 758052083 AGQQWXBJNWSIMG-UHFFFAOYSA-N 409.536 0.930 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](CCc3ccccc3)C2)c1=O 758264596 UQIVFLXVCFHMHQ-LJQANCHMSA-N 412.490 0.835 30 20 HCED COC(=O)c1cn([C@H]2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)nn1 760534540 RQZYTZIZNKFPTJ-INIZCTEOSA-N 423.433 0.605 30 20 HCED C[C@H](CC(=O)N1CC[C@@H](C)S(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 760790964 VRFSYJBGPSOEOA-CHWSQXEVSA-N 413.521 0.539 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccn(C)c2)c1=O 763446612 OSWBEDSQYBTBHW-UHFFFAOYSA-N 401.488 0.930 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 763460742 NGNYXMDSNVMSMH-UHFFFAOYSA-N 412.446 0.634 30 20 HCED COCCn1c(=C(C#N)C(=O)c2ccc(C)cc2)sc(=Cc2cnn(C)c2)c1=O 764978245 UUHOHONKMJRRND-UHFFFAOYSA-N 408.483 0.984 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nnc(S)n1C1CC1 765470648 VDQFNNKGRUMYRS-NSHDSACASA-N 420.520 0.799 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2Br)CC1 765668066 ASUNMXNAHYEBCR-UHFFFAOYSA-N 414.325 0.813 30 20 HCED C[C@H](CC(=O)NCCS(=O)(=O)CC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 765704521 YVOQPIYNRWRISK-GFCCVEGCSA-N 413.521 0.445 30 20 HCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCF)C1=O 767738725 PHJBBITUHDDHIJ-MMOSJZJFSA-N 416.500 0.630 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncnc1N 769449550 HSHPLORUGJKJGQ-AWEZNQCLSA-N 402.480 0.973 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)N2CCCC2)CC1)c1cc[nH]n1 770822934 WEUZJNWWGHSWQR-UHFFFAOYSA-N 406.443 0.054 30 20 HCED CCN1CCC(n2nccc2NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 775141646 RSWMKFDCVPXUMG-UHFFFAOYSA-N 410.482 0.973 30 20 HCED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@H]1CCCO1 775340101 KFXTYQOBYHAODZ-FUHWJXTLSA-N 408.476 0.627 30 20 HCED C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)[C@@H]1CCCO1 775349289 UCGMZOQEZWVURL-HKUYNNGSSA-N 421.519 0.684 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCN(C)C(=O)C2)n1 781896131 BDUJKSMZULBZCI-UHFFFAOYSA-N 407.525 0.513 30 20 HCED CS(=O)(=O)N1CCc2cc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)ccc21 782542271 RKGRWNYUKYVOJV-UHFFFAOYSA-N 413.415 0.986 30 20 HCED C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 783535663 FIOSOKZUYWWWGD-HNNXBMFYSA-N 402.538 0.959 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 784925978 MZAXLWBOPGGVIV-OAHLLOKOSA-N 405.476 0.423 30 20 HCED C[C@H](OC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)NC1(C#N)CCC1 787747326 XPZLHRVZUBPSRI-HNNXBMFYSA-N 414.466 0.400 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)c1C#N 788116090 ZJFGFANRPCGOFA-UHFFFAOYSA-N 406.443 0.349 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)n1 789788731 ORZLOFXUYHRLSN-UHFFFAOYSA-N 422.449 0.414 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)c1cc[nH]n1 789957514 RPKRWWQKTSMVAI-UHFFFAOYSA-N 414.422 0.268 30 20 HCED N#Cc1ncn(CCNC(=O)c2cccn3c(I)cnc23)n1 804623080 RGFWGTBOIDUBIM-UHFFFAOYSA-N 407.175 0.832 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccnc1-2 806970866 IWTZEKBZEUGISX-FZMZJTMJSA-N 413.438 0.156 30 20 HCED CCOc1ccc(NC(=S)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1 807947090 HHINCRPYJPFASU-UHFFFAOYSA-N 404.496 0.869 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)N1C[C@H](C(=O)NCCC)Oc2ccccc21 815860466 MNGYELFKXXWJBF-GOSISDBHSA-N 400.479 0.378 30 20 HCED CC(C)(C)C(=O)NC1CCC(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1122507219 VUTHXCGIILKGBY-YMAMQOFZSA-N 411.524 0.673 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1137994545 VOIXNNAVOJJHGP-KRWDZBQOSA-N 422.507 0.292 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C 1295743820 XTQHCBQOTAAPOH-LSDHHAIUSA-N 422.507 0.321 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCOC1=O 1301954080 WEBQEEIKTCIREC-STQMWFEESA-N 413.504 0.326 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2=O)cc1 1318541165 OBUIIRWLLAXGSO-OALUTQOASA-N 411.506 0.434 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1C 1319468139 ODRBCVSOICFIRS-UHFFFAOYSA-N 405.451 0.250 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCOC2)cc1OC 1504203718 UAHYRKKCPQNBAL-YWZLYKJASA-N 415.450 0.842 30 20 HCED N#CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1521122593 WZWAXYRZMZDHKQ-INIZCTEOSA-N 420.539 0.965 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](N3CCOC3=O)C2)CC1 1619904736 KCVALSIMHYDSAU-HZPDHXFCSA-N 403.508 0.983 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCOC[C@H]3c3nn[nH]n3)CC2=O)cc1Cl 1642264253 VKXMMPOEAATYKY-FZMZJTMJSA-N 401.814 0.678 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCN1CCOCC1)CC1CC1 1646427346 LPQFQAZCTPFVCX-UHFFFAOYSA-N 406.508 0.296 30 20 HCED CO[C@](C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)COCc1ccccc1 1683752372 KPQRXMZJCIPOLD-HXUWFJFHSA-N 415.450 0.742 30 20 HCED Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1742194459 MSNLHQPLRNMETD-IRXDYDNUSA-N 409.443 0.838 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H](C)N3CCOCC3)CC2)c1C#N 1751827717 JQSIYZDHOUSRHH-HNNXBMFYSA-N 413.530 0.547 30 20 HCED CC(=O)N1CCN(CCn2c(C(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1760621552 NVOGWTARUZEBRL-LJQANCHMSA-N 414.558 0.742 30 20 HCED CNS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1767846426 XKGILGCKZUYVNA-UHFFFAOYSA-N 403.512 0.330 30 20 HCED CN1CC[C@@](O)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1769065451 SOFXDMUTNYKJQS-QRWLVFNGSA-N 416.457 0.792 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCC2)C1 1770349121 NBJQLQQUJYWPKW-HNNXBMFYSA-N 424.527 0.266 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1778543671 ZADLIPVQGISAGQ-IBGZPJMESA-N 400.366 0.005 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778781707 OZFUUXSWXUMNHE-OXJNMPFZSA-N 409.483 0.649 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778785662 PKFSNFAOWBNLRL-GQIGUUNPSA-N 409.483 0.649 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1779020268 IOVVUSYMTZOTHZ-GUBFPNNNSA-N 418.454 0.838 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779051515 NACKQGSZKSWEOM-YRNRMSPPSA-N 403.483 0.698 30 20 HCED CN1CCN(C2(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)CC#N)C4)CC2)CC1 1780647654 ICTYXEWSZWXVAI-YLJYHZDGSA-N 403.527 0.194 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)cc1 1780692201 DHFMIPWDPVYMTN-QFIPXVFZSA-N 419.441 0.809 30 20 HCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)n1ccccc1=O 1782013536 TZGCXYPJAVFLAW-WHSLLNHNSA-N 415.446 0.011 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCn2ccnn2)C1 1782558141 MIQKJGKTZMFYGL-SQGPQFPESA-N 403.483 0.220 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783618535 PSSNULVCDCMNIR-FQEVSTJZSA-N 401.467 0.513 30 20 HCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)CCO2 1783921751 SACUPLVKCGUUNO-XFQAVAEZSA-N 423.510 0.763 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783958928 QQXNNESXTRQGGU-SUMWQHHRSA-N 401.485 0.435 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(F)(F)C(=O)O)C[C@@H]21 1784482036 BUNZPQKSPCCMCU-RFGFWPKPSA-N 402.394 0.114 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C[C@@H]21 1784495231 FIYXUHKKEHDUGF-DZKIICNBSA-N 421.454 0.894 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725001 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C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1CC(C)(C)O 444560162 ZNEYJFJCPCXRQA-HNNXBMFYSA-N 408.524 0.482 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C)S(=O)(=O)CC2)cc1 447475620 WTXKBDOJOMCHRK-UHFFFAOYSA-N 407.492 0.967 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 447778638 QVGKXCAZYILYFZ-UHFFFAOYSA-N 406.489 0.957 30 20 HCED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCC1CCN(CC#N)CC1 464973468 QGNQOABFUZWDML-UHFFFAOYSA-N 401.511 0.955 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)ccc21 471025291 KRIPAHDEULRQGE-CVEARBPZSA-N 400.435 0.162 30 20 HCED COc1ccc(N2C(=O)C[C@H](N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)cn1 472094817 GAIKIFYBONPQOV-INIZCTEOSA-N 409.450 0.458 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 478575396 UHBQWWHUDJIIOU-SLFFLAALSA-N 412.490 0.802 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@@H]2CCCN(CC#N)C2)c1 479901521 VOGFZIPJEZDQIG-HNNXBMFYSA-N 421.523 0.018 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 486487049 ACMZMDWKWSEQTA-QGZVFWFLSA-N 401.492 0.452 30 20 HCED Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 498007836 OSBZODLVPLUVQQ-UHFFFAOYSA-N 418.435 0.655 30 20 HCED CC#CCCNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 498577931 QGUKVVXDGSCLER-UHFFFAOYSA-N 423.473 0.584 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)[C@@H](NC(=O)C3CC3)[C@@H](C)O)c(C#N)c2N)cc1 499697137 VKWFXXGCGIBDHU-KUHUBIRLSA-N 424.505 0.959 30 20 HCED CN(C)C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 502555140 ORUUYEZHQNUBBY-QGZVFWFLSA-N 419.551 0.275 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)C1=O 502817094 UWPQSXHTFDPQIE-AWEZNQCLSA-N 400.395 0.333 30 20 HCED Cc1nnc(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 511856148 ADWIPICTYXSUHG-AWEZNQCLSA-N 409.537 0.389 30 20 HCED CN(CC(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1 513490929 PZKWTSMNWRUEPP-CQSZACIVSA-N 404.452 0.756 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)nn2CCC#N)cc1 517205457 AUOMTGHLZSPFGR-UHFFFAOYSA-N 404.452 0.981 30 20 HCED C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 521992502 GMOKILDOLGUYRR-IAGOWNOFSA-N 400.479 0.717 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cnn(CC)c1 523575590 VEVAIQLYNVQCKE-UHFFFAOYSA-N 405.483 0.921 30 20 HCED CS(=O)(=O)N1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 533224273 IOYZVOHKFVUOLL-UHFFFAOYSA-N 402.480 0.650 30 20 HCED COCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 535549551 UHFVUKNMTRGRBG-QGZVFWFLSA-N 417.491 0.818 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 540269187 LMZXQKRZUVGTIX-MRXNPFEDSA-N 420.425 0.897 30 20 HCED N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 546091974 KSXNNIRRURRCSV-UHFFFAOYSA-N 416.481 0.876 30 20 HCED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@H]2CCOC2)cc1 569817181 PLOGWMZJXCMIMO-WBVHZDCISA-N 421.461 0.000 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@H]2COCCO2)CC1 571110555 HQFNEWJWMWMFOU-INIZCTEOSA-N 409.446 0.287 30 20 HCED CN(C)CCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3cccc(F)c3C#N)[nH]2)[nH]1 574610104 CZBSJUKNOHOBGX-UHFFFAOYSA-N 410.413 0.062 30 20 HCED Cn1cc([C@H]2OCCC[C@@H]2NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 577907943 YQMJNWIUKPCARG-FUHWJXTLSA-N 403.464 0.607 30 20 HCED N#Cc1cncc(S(=O)(=O)NCCNC(=O)NCc2cccc(C(=O)O)c2)c1 578105110 LEGPPGZEEYXZAN-UHFFFAOYSA-N 403.420 0.429 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCn3cnc(C#N)n3)C2)s1 583210594 DHGVQQGQWHLIQM-ZDUSSCGKSA-N 408.509 0.737 30 20 HCED CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 583707794 PCZXFECOIAEUMP-UHFFFAOYSA-N 404.452 1.062 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)ccn1 589416302 FDDDTNMQNCTLLP-INIZCTEOSA-N 420.385 0.447 30 20 HCED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CC(O)(CC#N)C2)cc1[N+](=O)[O-] 589491098 XNBVHFKHNJLMDC-UHFFFAOYSA-N 411.440 0.180 30 20 HCED Cc1cc(CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)on1 603445936 KRGWHIICJILFTC-UHFFFAOYSA-N 417.491 0.820 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 608799251 ONDYYFZYLDRZHM-OAQYLSRUSA-N 421.413 0.876 30 20 HCED N#CCn1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc2ccccc21 609170877 ZLOVKXSPGAJBKP-CRAIPNDOSA-N 402.476 0.392 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 669815501 CKYAFYKSAFUKKI-UHFFFAOYSA-N 422.497 0.317 30 20 HCED O=C(NCC#CCNC(=O)[C@H]1COc2ccccc2O1)[C@H]1COc2ccccc2O1 681339261 MKXUDJBNPITKIC-WOJBJXKFSA-N 408.410 0.902 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)C1CC1 725955747 STTOYUJDOBNJCR-RZQQEMMASA-N 403.410 0.753 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)NCc2ccccc2F)C(C)C)C1=O 726042392 ILXFCLMBEUZXOY-MRXNPFEDSA-N 419.409 0.987 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)COc2cccc(C#N)c2)c1 729975382 KZPGWXNLGNNXOB-ZDUSSCGKSA-N 416.459 0.989 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCOC2)cc1 730071950 FBNUIMORDJGZOX-VDVBZYJVSA-N 408.480 0.733 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)CC2)cc1 731540458 ODIRNXMYKXWVRF-OBGWFSINSA-N 414.509 0.762 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 732474532 FAEASBSOXRTVAT-NLFAIWHDSA-N 422.555 0.867 30 20 HCED Cc1nsc(N2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 742851433 PLLSSHNTYFPKNU-UHFFFAOYSA-N 420.520 0.624 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1 746631438 QLFFAKNUDMTDTC-MRXNPFEDSA-N 408.476 0.781 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1=O 755538864 VPMZRBVUSBCOTR-JSGCOSHPSA-N 403.439 0.682 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(CC)n2)c1=O 758079909 VQEWOAQKBMXVHX-UHFFFAOYSA-N 416.528 0.218 30 20 HCED C[C@@H]1CC(=NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)NO1 765377899 JSHPHEBMGJSQMB-DGCLKSJQSA-N 403.482 0.007 30 20 HCED C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)OCC(=O)NCCC#N)C1=O 770584987 PKGVKCDVUZUROX-KRWDZBQOSA-N 410.789 0.819 30 20 HCED C[C@H]1CN(C(=O)NCCNc2ncccc2C#N)CCN1c1nccn2cnnc12 771548459 ZLOOLCIJMJWVKY-AWEZNQCLSA-N 406.454 0.723 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NN=C(C)c2cn(CC(=O)OC)nn2)cc1 772842727 BYJLWFLBRFYKJO-UHFFFAOYSA-N 409.424 0.330 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 773947099 ANUOSBVVKNYYBX-MRXNPFEDSA-N 400.479 0.778 30 20 HCED COc1cccc(C[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)n2nnnc2C)c1 776144766 UWOZGUNAECDZES-OAHLLOKOSA-N 406.468 0.770 30 20 HCED Cc1nc([C@@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 779693665 PBFSIKHKKFQVPN-ZDUSSCGKSA-N 405.436 0.407 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCN2CCNC(=O)C2)C1=O 781103538 SODWXGIWBVZUJY-AWEZNQCLSA-N 407.471 0.325 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 783358640 PBHPAZZZFLJKQK-ZBFHGGJFSA-N 424.461 0.957 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)c1C#N 788337425 BGMRQQUFHUVEPC-UHFFFAOYSA-N 407.434 0.790 30 20 HCED CCOC(=O)CON=C(C(=O)NCC1(N2CCOCC2)CCCCC1)c1cc[nH]n1 789938502 CMVNHLICADJPIB-UHFFFAOYSA-N 421.498 0.845 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2nc(CC)ns2)CC1)c1cc[nH]n1 789985684 HSUPNMXRUWDNEI-UHFFFAOYSA-N 421.483 0.456 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)O[C@H]3CCCN(c4cc(C#N)ccn4)C3)[nH]c21 791974906 FBLVQYVJPQXFJQ-ZDUSSCGKSA-N 423.433 0.774 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCC1 799287941 VLNMXISQLOLPRE-AWEZNQCLSA-N 417.462 0.769 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CN2CCOCC2)C1)c1cc[nH]n1 800648833 FVHLKYKWBHJZSJ-HNNXBMFYSA-N 407.471 0.264 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)N(CCC(N)=O)Cc3ccccc3)CC2)cn1 801554205 WVHCQWSPKKQJNJ-UHFFFAOYSA-N 406.490 0.979 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)c1ccncc1 805812155 RAPYVGAQRPEJAH-MRXNPFEDSA-N 414.466 0.689 30 20 HCED Cn1cc(S(=O)(=O)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cc1C(N)=O 805842803 BSRQOGSRVZYHLV-LBPRGKRZSA-N 419.438 0.466 30 20 HCED COCCNC(=O)c1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1 806863237 BHJAWVSHIOBRBB-UHFFFAOYSA-N 410.434 0.496 30 20 HCED CN(C)c1c(C=NNc2ccc(S(=O)(=O)C(F)F)cc2)c(=O)n(C)c(=O)n1C 807969013 YEBPADIBVWPBRI-UHFFFAOYSA-N 415.422 0.592 30 20 HCED C[C@@H]1CN=C(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)S1 810440478 VVJYGMZEOPNKEK-CYBMUJFWSA-N 407.521 0.472 30 20 HCED Cn1cnnc1COCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 816058360 LUMIYSZWGFHUIJ-UHFFFAOYSA-N 403.342 0.727 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)N=S(C)(C)=O)C1=O 821641497 HAPUNZOLQGHQDN-UHFFFAOYSA-N 406.420 0.470 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1C(=O)CNC1=O 914620017 KXUOWJGHNPRXTB-CYBMUJFWSA-N 422.463 0.379 30 20 HCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 918478663 LPPDGQGUGBMDOO-INIZCTEOSA-N 404.448 0.904 30 20 HCED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@@H](C)CC(=O)N2)nn1 996886034 PILNLERTEAXHNB-GAGVYUBLSA-N 400.483 0.631 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1ccc(O)nc1=O 1003088797 CUEQEBZOEHQCRV-JSEZXORMSA-N 402.451 0.178 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1149106397 TZVOVTUVFCGXQC-UHFFFAOYSA-N 421.475 0.626 30 20 HCED CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287136074 HSHDHEVRXWOCPF-QGZVFWFLSA-N 411.514 0.627 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1297309189 IZSPOZKPUBTTSF-QGZVFWFLSA-N 413.482 0.823 30 20 HCED CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316347223 KPZZHXIPSGVGGU-ZBFHGGJFSA-N 408.528 0.393 30 20 HCED Cc1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cc1S(=O)(=O)NCC#N 1318510968 FDOOYLRMUYNZON-UHFFFAOYSA-N 407.540 0.553 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 1321189306 KCJUMRXAARTWTQ-SFHVURJKSA-N 400.504 0.962 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(F)c1 1322506404 MAZZFJDWWPWKQG-UHFFFAOYSA-N 400.407 0.595 30 20 HCED CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1440748008 OPLLQEOCYSEXJI-IUODEOHRSA-N 410.521 0.653 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1471259790 OSLBAOIGIFDTJN-UHFFFAOYSA-N 417.447 0.050 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1548185536 VLVDQUPLBHQZLP-AWEZNQCLSA-N 422.486 0.837 30 20 HCED CS(=O)(=O)NC(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1556179355 ZASMCJWTRAAGIC-LLVKDONJSA-N 412.855 0.147 30 20 HCED N#Cc1cn(CCC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c(=O)nc1O 1617074657 QYACCDLROKNVRH-UHFFFAOYSA-N 400.410 0.946 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 1624640004 WHXOCBNTTHITFL-SNVBAGLBSA-N 414.406 0.297 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3nc(-c4ccncc4)n[nH]3)CC2)c1C#N 1673734715 WTKJMFOZTBNYPP-UHFFFAOYSA-N 406.454 0.812 30 20 HCED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1693869284 PFIOOBXULSQAMY-INIZCTEOSA-N 409.494 0.864 30 20 HCED CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1695901568 QOBNQIHNXFSRIT-QGZVFWFLSA-N 418.546 0.173 30 20 HCED COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1697939036 YWMHIGDOHSJIKA-UONOGXRCSA-N 412.516 0.434 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(CC)S(C)(=O)=O 1710744969 PPRRVTOYBMCSKK-AWEZNQCLSA-N 400.505 0.215 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1728796388 VMDKKZFNCVPYET-IEBWSBKVSA-N 409.462 0.914 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1749831153 WXVIKFNYEBIBFN-KBPBESRZSA-N 410.500 0.030 30 20 HCED CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1764569180 XFKMRDSFSVZRCB-UHFFFAOYSA-N 410.482 0.804 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](COC)OC 1764909989 UGRFJIKGXRECCW-HNNXBMFYSA-N 402.503 0.742 30 20 HCED CN1CC[C@](O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)C1 1767513056 NIUSMBUUOYLVAI-KFKAGJAMSA-N 422.555 0.377 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(N(C)C)o3)CCO2)C1 1778966697 APUYUMFCSJSNBJ-QRWLVFNGSA-N 406.483 0.757 30 20 HCED 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0.162 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732854 CIYXVQKWNFYPNH-OXQOHEQNSA-N 404.467 0.363 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1839011274 QEHDNBDATIHMNS-IBGZPJMESA-N 408.357 0.123 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1839222577 SAMHCIUEUCOCGL-LVCYWYKZSA-N 424.542 0.728 30 20 HCED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1839832277 SSMLBKPNZZMPMJ-OAQYLSRUSA-N 415.446 0.373 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1839842621 AWIAFLIGADOHOQ-FIKGOQFSSA-N 409.527 0.960 30 20 HCED Cc1ccc([C@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839948562 ZXXBISRBWFXXSZ-JTSKRJEESA-N 414.458 0.643 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 1840163125 DMYJFRCFPPXMJH-LIRRHRJNSA-N 404.492 0.723 30 20 HCED COC(=O)CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840234147 IQYKNCKTAVEUCR-QFIPXVFZSA-N 420.506 0.980 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840366209 RRYROYMBLMBLBZ-NJSLBKSFSA-N 408.524 0.289 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCSC3)CCO2)C1 1840860699 NAZQGMBHMSHOSR-MBOZVWFJSA-N 410.536 0.624 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1841055338 VCMHLEBNKHJJOJ-LVKZSUFYSA-N 414.506 0.449 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)c4cc(O)nc(O)n4)C3)c2c1 1843358568 HAOYYSIVNJHKAJ-UHFFFAOYSA-N 419.401 0.767 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844230251 XMOMSTKFVBZNEO-MRXNPFEDSA-N 404.511 0.596 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)CC#N)C3)C(=O)C1 1847122614 XXHKBWKHEOBMPF-UHFFFAOYSA-N 419.482 0.183 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1COc2ccccc2O1 1847262858 KSNPOKBXAIBEKQ-QWNBFTMJSA-N 411.458 0.887 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cnnn1 1847939152 ADLVZSBAHDONKB-KKUMJFAQSA-N 419.486 0.344 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)c1 1848130508 NQJRKBOCYUKTQH-STECZYCISA-N 409.446 0.727 30 20 HCED CCOC(=O)CCCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 19532410 IYTXQBPCVJDFSQ-UHFFFAOYSA-N 422.507 0.324 30 20 HCED Cc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(=O)[nH]1 31220918 PVXLOOCLJKITQZ-UHFFFAOYSA-N 415.475 0.334 30 20 HCED COCCOc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1F 141112623 JFPXGEFYGNEVKT-UHFFFAOYSA-N 404.402 0.715 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 144060622 NSZJLJSGXMEUSR-UHFFFAOYSA-N 400.479 0.957 30 20 HCED COc1ccc(N/C(N)=N/CCS(=O)(=O)NC[C@H]2CCCCO2)cc1OC 304761328 UHFFUFUCEIGTBF-CQSZACIVSA-N 400.501 0.919 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCN3CCCS3(=O)=O)CC2)c1 409630683 KUBDGKSFMCTQFG-UHFFFAOYSA-N 419.507 0.954 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 410157202 XGQNCZANADAJKR-IAGOWNOFSA-N 402.561 0.914 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)n1 428392091 SLXXOMXBHWNIAW-CYBMUJFWSA-N 406.468 0.940 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 434844344 UARLUGDJTOOCFF-WBVHZDCISA-N 419.551 0.884 30 20 HCED N#C[C@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCO1 436125279 HSOVBGKDZIIJTO-KRWDZBQOSA-N 406.508 0.702 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)ccc1OCC(F)(F)F 440267322 FYIHWHQFYDEJOC-LLVKDONJSA-N 420.369 0.327 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 442981836 GTJMHRMMDHAMAV-UHFFFAOYSA-N 420.516 0.977 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCn3c(O)nnc3C2)cnn1-c1cccc(C#N)c1 443696174 VMOXJJSEGNCFOH-UHFFFAOYSA-N 420.433 0.974 30 20 HCED N#CCN1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1 443825921 SMIJGYQRFIOLFD-APWZRJJASA-N 424.505 0.888 30 20 HCED COc1cccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 444502212 NKROXYFRGXLDFT-UHFFFAOYSA-N 410.434 0.728 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 462090008 BVVUFSQNPFCBMH-QGZVFWFLSA-N 424.509 1.512 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2OC)C1 463702762 NGPBIIRGZDGMPX-OAHLLOKOSA-N 423.491 0.989 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)cc3F)CC2)c1C#N 472873328 KARIUPHBAZOHSZ-UHFFFAOYSA-N 413.413 0.126 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 473492292 SXLMANDPHKPVOH-ROUUACIJSA-N 418.519 0.837 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCC(=O)N3CCCCC3)n2)cc1 476485251 AFXLJLPIVBAIGV-UHFFFAOYSA-N 409.450 0.655 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@@H]2CCCN(c3ncc[nH]c3=O)C2)c1 476749088 USJOJGHNTZLUNV-MSOLQXFVSA-N 420.473 0.918 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(OC)n2)c1=O 479371988 AUTIPTBMIYRAHZ-CQSZACIVSA-N 414.487 0.132 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)n2)c1=O 479386854 HXFOETMHGINBSO-UHFFFAOYSA-N 416.503 0.379 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C 480348989 RGXZAFGYCMAJRQ-UHFFFAOYSA-N 422.304 0.475 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)C(=O)OC 481786407 VJTINJVZDNIQBL-GFCCVEGCSA-N 413.390 0.562 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC[S@]1=O 484859016 VFYSLDWYBQPBGJ-ZBYRNGAHSA-N 400.464 0.504 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 492210516 XRHXMKUADBDINQ-HUUCEWRRSA-N 407.492 0.905 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 506618042 VWNNLNXHLNVZAU-HUUCEWRRSA-N 414.437 0.876 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 507428550 YTGBXFIHRGILQK-UHFFFAOYSA-N 404.452 0.632 30 20 HCED C=CCn1c([C@H]2COCCO2)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508938694 LZCOSWDZSFZIKM-DZGCQCFKSA-N 403.443 0.772 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CCO[C@@H](C#N)C1 509994583 ARHOKHDPPHTYNV-INIZCTEOSA-N 417.491 0.820 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1C 516406089 UEQLOALLUIMKHF-UHFFFAOYSA-N 406.446 0.909 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCCS(N)(=O)=O)c2)c1 523071664 ILAPVEDLZMOKJC-UHFFFAOYSA-N 416.459 0.871 30 20 HCED COc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OCCCC#N 523841180 RTJGIKSTCBBHDJ-MSOLQXFVSA-N 423.535 0.965 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(N)(=O)=O)s1 531800150 LHNSBVMGWFXIQE-LLVKDONJSA-N 406.493 0.337 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 532355548 MUBOSFWOSZPVBJ-OAHLLOKOSA-N 423.495 0.909 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)ccc1[N+](=O)[O-] 538843420 DOGORJICVQFHNI-UHFFFAOYSA-N 402.432 0.391 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 539241087 TWQKYAKJXDHZLM-SFHVURJKSA-N 414.510 0.237 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 544879902 FUTISDJBCSQZQR-DOMZBBRYSA-N 405.480 0.288 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)CCO1 549494772 CCZFOHPSRLDNRG-IRXDYDNUSA-N 407.438 0.829 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCCC3=O)cc2)C1=O 551007402 DVWYEVNNZUHAKR-GOSISDBHSA-N 412.490 0.671 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 553734715 MURXKXVAZAXFFN-QGZVFWFLSA-N 400.479 0.765 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 559448364 XHIXOOVDPBCXEE-AWEZNQCLSA-N 408.524 0.668 30 20 HCED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1 559984965 YTYRAPDSUMOTGD-OAHLLOKOSA-N 418.417 0.856 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(C#N)cc1 560914339 UYNVPYCJIBGKLR-KSZLIROESA-N 407.492 0.567 30 20 HCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1[N+](=O)[O-] 564247570 ATHBGEQHZHGTJA-UHFFFAOYSA-N 418.435 0.505 30 20 HCED Cc1cc(N2CCC(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n[nH]1 564525387 OPOZGRVOGTXUGD-UHFFFAOYSA-N 402.480 0.653 30 20 HCED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc[nH]n1 570980231 UBVQODRZCMJPOG-HNNXBMFYSA-N 418.479 0.729 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)CC2)c1 572682067 URSNNKMRCFAHMG-UZLBHIALSA-N 415.519 0.773 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1ncn(CC(=O)N3CCCCCC3)n1)CC2 572682242 IAYXNHQENHLRAW-UHFFFAOYSA-N 421.461 1.080 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](CC(N)=O)C3)C2=O)cc1 578573398 YEYSCXZBYMAICB-WBVHZDCISA-N 411.462 0.284 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc(C(N)=O)cc3)C2=O)cc1 579881783 CXXWQLCIDGLBBU-SFHVURJKSA-N 419.441 0.191 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2cnc(C3CC3)nc2)CC1 582086790 JQNGFAZWIHCCKX-UHFFFAOYSA-N 405.462 0.628 30 20 HCED COC1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCOCC1 588647029 QNRCUQQOZMLTPY-UHFFFAOYSA-N 417.466 0.384 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CN(C)CCO1 588866399 RNFWUOOHFBMESK-BMGDILEWSA-N 413.478 0.005 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1=O 590709583 TXSXCDZQCLUIJH-MRXNPFEDSA-N 410.430 0.944 30 20 HCED N#Cc1ccc(N2CCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)nc1 604196783 YJMUQAYHRJMSDW-UHFFFAOYSA-N 404.430 0.967 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 608911955 JXOWFQAPOFTPQL-UHFFFAOYSA-N 404.879 0.076 30 20 HCED CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 609766761 OLYSPFVASLNNJB-UHFFFAOYSA-N 420.535 0.892 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 609813354 XTLPUDQLHFSWEG-UHFFFAOYSA-N 407.430 0.953 30 20 HCED CCOC(=O)c1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 613563594 ZRGIMQGKJCAIHW-SECBINFHSA-N 409.449 0.892 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 618640080 PJTAHJHDFOAOKA-UHFFFAOYSA-N 424.935 0.529 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCCO1 619863274 NMFBNBWPLFMLAZ-XEZPLFJOSA-N 400.480 0.899 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCc3c[nH]nc3C2)cc1 676781831 BCHUZIYQKHGXPE-UHFFFAOYSA-N 403.464 0.740 30 20 HCED CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403720 MLIZFACFVDMFKW-STGLLQLASA-N 410.521 0.823 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 729762650 GIUNXCQWRXHPLT-UHFFFAOYSA-N 422.503 0.754 30 20 HCED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910117 MKMLPRHPJFDHIJ-ROUUACIJSA-N 415.471 0.916 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC 737224754 MXTARFUIMMGQSR-UHFFFAOYSA-N 403.844 0.766 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(N)(=O)=O 741830938 PPPDRZBOBUYXOL-ZDUSSCGKSA-N 417.509 0.362 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 742634703 UHJCWUBIIHVVIN-UHFFFAOYSA-N 422.279 0.534 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 743909847 DZSQHOAUCLPKBQ-UHFFFAOYSA-N 406.402 0.938 30 20 HCED Cc1nn(C)c(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 746139194 GOCGEMIMUYFVJB-UHFFFAOYSA-N 405.436 0.369 30 20 HCED COc1ccc(NC(=O)COC(=O)c2cc(C#N)c[nH]2)cc1S(=O)(=O)N(C)C 748224039 FFBZIFAMMUBTEB-UHFFFAOYSA-N 406.420 0.941 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)[C@H](C#N)C1 749650926 YXKWSCUDRULDHE-MRXNPFEDSA-N 405.499 0.512 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)c1 749706130 RDPBYKFBXQQYAG-MRXNPFEDSA-N 400.479 0.292 30 20 HCED CN(CCNc1cccc(S(N)(=O)=O)c1C#N)S(=O)(=O)c1cccs1 755025842 FZTGEUYLPAPDDD-UHFFFAOYSA-N 400.507 1.000 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 756750709 UHUFXTOVYXMXRX-WBMJQRKESA-N 417.447 0.307 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)[C@H](C#N)C1 756894663 ODBBWSMDEXXSJK-ZYHUDNBSSA-N 414.509 0.813 30 20 HCED C#CCNC(=O)c1ccccc1NCC(=O)NCCCN(C(C)C)S(C)(=O)=O 762797501 MHZQZOWUBNDACG-UHFFFAOYSA-N 408.524 0.638 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)Cn1c(O)nc2ccccc2c1=O 766979029 VJDGFKVEIUPYRW-UHFFFAOYSA-N 414.399 0.487 30 20 HCED CS(=O)(=O)CC1(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 767474685 BCVNKJOWBYILAC-UHFFFAOYSA-N 400.478 0.483 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 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0.206 30 20 HCED CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1618801854 TUYQSNAWSLRUHQ-IAGOWNOFSA-N 423.477 0.815 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1627574925 UQSSSRLGQCVXTN-GFCCVEGCSA-N 405.455 0.972 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccn(C)n1 1692785401 LHUBKUDEKXFMPD-AWEZNQCLSA-N 420.543 0.995 30 20 HCED CCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1695130228 QXQGMKLBSSUJIY-ZENOOKHLSA-N 400.505 0.168 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1697013169 OXTIDJFSPLILDF-KRWDZBQOSA-N 411.466 0.694 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCO1 1711360912 RHHZHXUVUKSQTM-KRWDZBQOSA-N 406.450 0.550 30 20 HCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1728265448 MVVCPECLVIRSOC-CQSZACIVSA-N 413.482 0.907 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)N1CCOCC1 1742836149 WABJEAKPRVLMIT-CVEARBPZSA-N 411.514 0.684 30 20 HCED 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CC(=O)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)C(C)(C)C 1840157027 CHTNMLKADRJDLR-OHNRDTAOSA-N 415.556 0.312 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840162044 KJUHYBRRJRKZCF-APPDUMDISA-N 401.435 0.748 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3ccccn3)C2)C1 1840166183 XEJKSGIQVXXUEC-VCBZYWHSSA-N 409.508 0.624 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1840170201 PVTZASQDIPVPGZ-NRFANRHFSA-N 402.495 0.829 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1840212275 DZSYGFPXGUFCBX-IERDGZPVSA-N 417.462 0.428 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840359010 FVHQVNRONBUEJA-VFNWGFHPSA-N 415.494 0.521 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840614554 PKUVZQJJDFDODR-UTKZUKDTSA-N 410.511 0.993 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840813629 KUSSLGSXVHHWDH-FQEVSTJZSA-N 401.467 0.342 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccc1)CCO2 1840902981 MQVVTGYIMKZUTH-HTAPYJJXSA-N 415.490 0.837 30 20 HCED C=C1CC(C(=O)N2CCCC23CN(C(=O)COCCOCCOCCOC)C3)C1 1841020040 JCFUMQMKSALFHU-UHFFFAOYSA-N 410.511 0.852 30 20 HCED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)COc2ccc(O)nn2)C3)cc1 1841100477 QBFSGTGIKYHTSU-UHFFFAOYSA-N 407.430 0.879 30 20 HCED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845203682 MPPXUQMMVNVZJP-UHFFFAOYSA-N 417.510 0.927 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1846001405 LIWHZLSHKOXUBT-GJZGRUSLSA-N 418.494 0.243 30 20 HCED C[C@H](C#N)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 5643510 LBTPVRIQWLUUHY-CYBMUJFWSA-N 406.464 0.982 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCCC#N)cc2)C[C@@H](C)O1 8629324 VDWFGDXGDKZLHW-OKILXGFUSA-N 409.464 0.671 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 8631315 FZYCPIVQXUPKGB-UHFFFAOYSA-N 403.844 0.516 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CC(=O)NCCC)CC2)cc1 29218528 HSVGARCTIGUGEA-UHFFFAOYSA-N 422.551 0.871 30 20 HCED CN(CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)S(C)(=O)=O 105971727 FMSJGEDDNJVLMA-UHFFFAOYSA-N 416.525 0.767 30 20 HCED COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c1 409551052 AWVKJPBHOQHIHX-CQSZACIVSA-N 410.496 0.798 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 428240844 PXXOLQYTQRWPTH-UHFFFAOYSA-N 422.463 0.804 30 20 HCED C[C@H](C#N)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 429653066 OEHXHSDRGZHUFN-KOLCDFICSA-N 406.386 0.646 30 20 HCED N#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 461839797 BEWRUKXYDSKVNU-HNNXBMFYSA-N 421.475 0.609 30 20 HCED Cn1ncc(C(=O)NC2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)c1C#N 475646272 BFBYZGIEKUVRDC-SFHVURJKSA-N 420.473 0.814 30 20 HCED C[C@H](C(=O)NC[C@@H]1CCCN(CC#N)C1)[C@H](C)C(=O)NC[C@H]1CCCN(CC#N)C1 484430118 IDXIXLLKHMBHMT-LWYYNNOASA-N 416.570 0.962 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 485096923 XOTBNFPTRAAWRR-JLTOFOAXSA-N 403.435 0.928 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 485684613 RCRKADVFPPYMBC-HZPDHXFCSA-N 420.491 0.277 30 20 HCED N#CC1CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 490398001 RMSVRGAQJKLFQV-UHFFFAOYSA-N 400.435 0.625 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 503282232 IXIPSBXSZZAQQH-UHFFFAOYSA-N 406.402 0.571 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 504563574 ODSCHPQXSWOFRS-SFHVURJKSA-N 406.446 0.728 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 506686149 IJKFXPCHOKULNS-XJKSGUPXSA-N 402.480 0.774 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)c1 507187061 JEQANAQDACUFJT-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 509003681 YEGWLZGLOUZQSA-UHFFFAOYSA-N 405.212 0.329 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@@H](C)C#N)CC2)cc1OC 514094924 OYCXVNBJBWAYGT-HNNXBMFYSA-N 424.523 0.628 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C#N 516151162 MLHDOSKIRYFVSP-CWTRNNRKSA-N 401.471 0.873 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cncn3)CC2)c1 523056222 HHRHGGQFXSZFFO-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CCOCCS(=O)(=O)NCC(=O)NC1CCC(Oc2ncccc2C#N)CC1 525872482 KGFKPZRZOVPBBK-UHFFFAOYSA-N 410.496 0.715 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 527089616 VWQJANCMBRXYFP-UHFFFAOYSA-N 407.438 0.533 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCS(=O)(=O)CC2)CC1 537254739 OBTMJCLBGJQSBI-GOSISDBHSA-N 408.499 0.655 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 537351098 CMLCFRXRPDUHBB-UHFFFAOYSA-N 404.452 0.304 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 540742852 NRZNHOXGNNPXOW-GOSISDBHSA-N 402.495 0.590 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 544337546 WSTRZGQJAWPNCH-GFCCVEGCSA-N 407.452 0.622 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 544530023 REPYRGSOQVVVDI-UHFFFAOYSA-N 403.487 0.168 30 20 HCED COCCN1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1=O 548930088 FZGNTFQPVRXVBK-SFHVURJKSA-N 403.458 0.283 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1=O 550902187 MRVUKGJPGXWTEJ-DOTOQJQBSA-N 415.494 0.168 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 554066919 HUQAVWKHJGZTDR-CVEARBPZSA-N 412.494 0.365 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 559537347 YZNZAPMYZYPCFV-UHFFFAOYSA-N 410.434 0.361 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1O 561873592 SEEBKZYQFDPNKZ-IAGOWNOFSA-N 408.543 0.990 30 20 HCED COC(=O)[C@H](Cc1ccncc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 576863170 UCBFHHBGNWDTNJ-KRWDZBQOSA-N 401.444 0.769 30 20 HCED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 577631096 KBBUCWDYEWBDBH-UHFFFAOYSA-N 423.481 0.383 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n1 578035669 WRXLTAJYGQMWNU-UHFFFAOYSA-N 408.462 1.188 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 581163303 OEWKXNCYMDUUBW-UHFFFAOYSA-N 422.385 0.445 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 591583093 NESMTBPIFSVRLG-UHFFFAOYSA-N 403.464 0.965 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 592359163 RREPVRIGISJYIT-UHFFFAOYSA-N 408.524 0.998 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 604168471 AIMBTJKXFRUKRC-UHFFFAOYSA-N 406.446 0.990 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 608984701 QSIYXKQPTXXOKJ-UHFFFAOYSA-N 420.539 0.893 30 20 HCED C[C@]1(C#N)CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@](C)(C#N)C3)CC2)C1 612165986 SCMLVTRMBLAVHR-FGZHOGPDSA-N 414.554 0.909 30 20 HCED N#C[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 615635610 CURHAPXMBAICMH-FQEVSTJZSA-N 420.510 0.946 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1 728530358 AJWBQEPLOGZKFS-OAHLLOKOSA-N 403.504 0.847 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1 728533721 QENBUFTYBCGJBO-FQEVSTJZSA-N 413.522 0.404 30 20 HCED CCCn1c(CCC(=O)OCC(=O)NCC#N)nc2cc(S(N)(=O)=O)ccc21 731235632 JLDYOPWSMYFCMI-UHFFFAOYSA-N 407.452 0.209 30 20 HCED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)OCCn3ncc(C#N)c3N)n(C)c2)C1 731773011 GWWXFCUYJFELFH-ZDUSSCGKSA-N 420.495 0.953 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 731861248 RHLGJCWEMVQOJC-REQQQCDJSA-N 404.373 0.960 30 20 HCED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2=O 731862294 CBXPSFFCCRDSDG-LNYPHFFESA-N 403.439 0.130 30 20 HCED CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CC)c3)c2=O)cc1 732562882 MRNAPCNXSVGROC-UHFFFAOYSA-N 407.499 0.927 30 20 HCED Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2ncn3nccc3c2=O)c1C 732862942 MCVHEYJEBNQDAC-UHFFFAOYSA-N 408.418 0.998 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 743993686 TVNJKQAPRXNSRM-MLGOLLRUSA-N 413.409 0.820 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 745813880 SDODOTYQUANJPS-DIBRYIHVSA-N 423.473 0.969 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 760970635 GVGJDSVQIVAAOY-UHFFFAOYSA-N 420.378 0.922 30 20 HCED CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 763196341 ANOJVRVJPDHQFH-CAPFRKAQSA-N 407.496 0.212 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)c(C)o1 767959055 OCRDRLKFIHDAMF-UHFFFAOYSA-N 410.455 0.938 30 20 HCED C[C@@H](CC(=O)NCc1nnnn1CC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 770272857 CDPNBOHPVMOZQX-NSHDSACASA-N 403.468 0.217 30 20 HCED CCN(CC)CC#C[C@@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 770792280 OUPDLPRVOWEGQE-MRXNPFEDSA-N 421.519 0.698 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)[C@@H]1CCCO1 773790748 NOPFYHPMSZNKGY-YOEHRIQHSA-N 421.475 0.371 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@@H]1CCCO1 773794979 JYFTXRVQGRJOFG-HOCLYGCPSA-N 409.439 0.601 30 20 HCED 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30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)nn1C 1830051073 WBDUIFNHNCRBQP-HXUWFJFHSA-N 403.483 0.277 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1830053545 WPRHLHYWFCICAC-MYKUNDNFSA-N 407.511 0.791 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1830057935 MKOLSUQJCNRSJZ-VRFIZVPASA-N 422.482 0.522 30 20 HCED Cn1nc2c(c1C(=O)N1CCOC[C@@]3(C1)CN(C(=O)C(C)(C)C#N)CCO3)CCC2 1830061592 MJAFUEZIPBIMCD-OAQYLSRUSA-N 415.494 0.529 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](NC)C(=O)O)C2)C1 1830638832 AZGUOQHOYBTJTK-DYESRHJHSA-N 423.510 0.274 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1831421014 CYNIPJADWBHNFK-OXQOHEQNSA-N 406.483 0.390 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1832008814 XSALINVINWTTQQ-JXXFODFXSA-N 407.467 0.336 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1832381047 TVTMHHQVEQWWFY-YWZLYKJASA-N 406.483 0.263 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834426158 QJTSDGKYBORJEJ-OXJNMPFZSA-N 421.498 0.599 30 20 HCED COc1ccc([C@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834753653 OHCXLCPKCDAAKF-AZUAARDMSA-N 403.435 0.099 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1835344367 ALLOWBFGOJUGPL-HNNRIZOBSA-N 420.466 0.276 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nn1C(F)F 1835358709 IDBDKUCRVVVZJB-GOSISDBHSA-N 411.409 0.960 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835530578 KBJADTIFQOVBFF-VLIAUNLRSA-N 420.897 0.876 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1835672758 MKHIMZXMRASWOS-LJQANCHMSA-N 421.523 0.495 30 20 HCED C[C@@H](CN)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750415 YZTGBKVWTXYAGL-SFHVURJKSA-N 418.582 0.851 30 20 HCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1835799702 FPTPHMTZWGZCJB-SFHVURJKSA-N 407.496 0.654 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1836021918 NNIJWUBJKNDLRU-GOSISDBHSA-N 410.496 0.296 30 20 HCED C=CCSCC(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1837071523 NHHZKKBPGPLEPW-UHFFFAOYSA-N 408.524 0.780 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837413290 UGZJMKVFSYZAOU-OGTJOQQYSA-N 420.510 0.607 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)nn1 1838830325 XCTQHZKZTVHAKQ-LJQANCHMSA-N 403.439 0.249 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)cc1 1838950495 LVPWUZSUTPGZRK-LJQANCHMSA-N 413.459 0.794 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2[C@H]4C=CS[C@@H]42)CCO3)c1 1839699073 WVQQELMLJXEEHC-PYQAKABTSA-N 414.487 0.831 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3O)C2)C1 1839839638 IEGCIJIVBPKHCO-QRWLVFNGSA-N 405.451 0.368 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839987781 WQHLWWWPYZEJLR-IBGZPJMESA-N 410.471 0.271 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(F)(F)F)CCC3)C2)C1 1840041371 JLGWIKJGXGHRKX-INIZCTEOSA-N 418.368 0.263 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840161054 CUUSDTNKUZOYAE-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ncccc4[nH]3)C2)C1 1840163291 FZJSULJDGGPVQR-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1840171402 DVRPCDKDWRUELW-IBGZPJMESA-N 419.507 0.674 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840489098 JVOMRJUTXZSPID-IERDGZPVSA-N 400.479 0.622 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840617144 XKSBBWVKFFQUGI-HTAPYJJXSA-N 424.538 0.975 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1841258440 NUMVFFNQYPNLTF-MRXNPFEDSA-N 409.446 0.292 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1844157230 BTAGEYAHTLWMIC-FYCOFBDGSA-N 421.475 0.755 30 20 HCED O=C([C@@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302568 CLDNXZZIKZRZGU-UXPNVYJASA-N 413.496 0.296 30 20 HCED CC1=NN(c2ccc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cc2)C(=O)C1 1846196380 RMHGCBAFGPQRGD-UHFFFAOYSA-N 408.414 0.704 30 20 HCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1 1846196499 HILWQJPLZGLUAE-UHFFFAOYSA-N 408.407 0.134 30 20 HCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847434943 LFFSZHAFIXVMHD-CCMRYFRJSA-N 409.486 0.781 30 20 HCED C=CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 10792690 CUAPYSYWGJZNEV-UHFFFAOYSA-N 402.856 0.820 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 50164567 XOIPQOZEIMTXCK-UHFFFAOYSA-N 408.462 0.969 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1=O 410115559 APVCIMDAZONCHY-INIZCTEOSA-N 400.483 0.151 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1=O 410119592 OKBNVJFTZNMBIC-GOSISDBHSA-N 405.520 0.776 30 20 HCED C=CCNC(=O)CNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 434468559 WDAJDDCDGZHVJH-MRXNPFEDSA-N 406.458 0.445 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 439032866 JNCHRAJUWBWQSD-QGZVFWFLSA-N 422.489 1.454 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1 439047511 QAVDFAQZFJFICX-QGZVFWFLSA-N 408.462 1.280 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1 443284606 RMBZAIAVLFVCNB-UHFFFAOYSA-N 409.489 0.650 30 20 HCED Cc1ccc(-n2nc(CCCNS(=O)(=O)[C@H](C)C(=O)N(C)C)c(C#N)c2N)cc1 447761698 XOVNRRAVVYHXHA-CQSZACIVSA-N 418.523 0.963 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@]12CCCO2 460661094 IYHPYHPPXLSDRF-YRNRMSPPSA-N 410.434 0.920 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@](C)(O)Cc2ccc(OC)c(OC)c2)C1=O 461225522 WBFOZHPGNCHZFF-HXUWFJFHSA-N 419.434 0.090 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 462537323 IJHOVKJODKJVMC-UHFFFAOYSA-N 410.883 0.667 30 20 HCED CC(C)C[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 467263495 XCBPNOVAKFDUAE-MELADBBJSA-N 412.458 0.082 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCCO[C@H](C)C1 470087029 OYUSYEDXCIJWQO-CVEARBPZSA-N 408.524 0.842 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN([C@H](C)CO)CC2)cc1 470933632 SBBCIULEOOQYAE-OAHLLOKOSA-N 403.483 0.848 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCN3CCS(=O)(=O)CC3)C2)n1 471865888 NMPSCBFWVGVMPR-QGZVFWFLSA-N 405.524 0.325 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)c1C#N 472203062 CKUWBCYRAZABOJ-AWEZNQCLSA-N 405.484 0.269 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CC(=O)NC4CC4)CC3)CC2)o1 473295830 XUTLOGGEVAMPOC-UHFFFAOYSA-N 400.483 0.494 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C)cn2)c1=O 474344231 HQVXSMYSHVGWAB-UHFFFAOYSA-N 412.515 0.822 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)c1 476134920 DRJWTJPBUMNVOG-UHFFFAOYSA-N 403.439 0.719 30 20 HCED CC[C@H](C)[C@H]1CN(C(=O)c2cnn(C)c2C#N)CCN1C(=O)c1cnn(C)c1C#N 476487726 URMSJYWVHATCOB-SCLBCKFNSA-N 408.466 0.910 30 20 HCED N#Cc1cccc(N2CCN(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)CC2)n1 477526738 PEKBMUMEKISHRL-UHFFFAOYSA-N 411.466 0.649 30 20 HCED Cc1cc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)on1 479873372 GMZMVUWBLDAMAV-HNNXBMFYSA-N 417.491 0.866 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2Cl)c1=O 480156435 QEOQBFIVHCOHAH-UHFFFAOYSA-N 407.854 0.601 30 20 HCED C[C@@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 480454183 OETUGBLKWRENRL-BZUAXINKSA-N 408.524 0.841 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C#N)cs2)c1=O 481985235 XWFXBDPSQVOCHT-UHFFFAOYSA-N 416.528 0.909 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 485013000 GUYYWQJRQCTVIR-VBKZILBWSA-N 401.419 0.934 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 488608745 OJUYGJVOINJAQT-SFHVURJKSA-N 419.441 0.774 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 489010112 JHPXKHIWSNDLJA-LBPRGKRZSA-N 404.517 0.115 30 20 HCED Cc1ncc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1C#N 489483657 TUNRBJIBDTVHCA-UHFFFAOYSA-N 424.504 0.353 30 20 HCED N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)n2)cc1 490344991 AVXZWJCJVWHRRC-UHFFFAOYSA-N 423.414 0.529 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CCN1Cc1ccccc1 502239767 ZRQARIJFKVUHBR-QRVBRYPASA-N 409.490 0.493 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 509739244 SRSFKMCEYDIERN-GOSISDBHSA-N 415.494 0.254 30 20 HCED CN(CC(=O)N1CCC[C@H](c2ccnc(N)n2)C1)S(=O)(=O)c1ccc(C#N)cc1 509883002 DZRRQMJSAMPGNB-HNNXBMFYSA-N 414.491 0.957 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1=O 516198417 RCSAJALHQKSJKS-IBGZPJMESA-N 414.506 0.380 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 517869549 KNSKBHSIHUMNJP-UHFFFAOYSA-N 408.461 0.383 30 20 HCED N#Cc1cncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 519859826 PUGSCYBMODBGCZ-UHFFFAOYSA-N 422.488 0.453 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 520225173 ZUURYXCPIMJZHN-UHFFFAOYSA-N 422.532 0.958 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1Cc1ccon1 532194408 IYCAVQUXLYSVDO-UHFFFAOYSA-N 402.382 0.473 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCCO1 536086232 JENWTMGDHZKTJV-KRWDZBQOSA-N 424.526 0.988 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN(c2nnnn2C)CC1 542489937 KWCDJXVWMSAPRL-UHFFFAOYSA-N 408.470 0.459 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 548587066 WWWDGZFDHZQNKV-CYBMUJFWSA-N 407.448 0.653 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)CC2)o1 549215405 XEOUJBHDDIZQQC-UHFFFAOYSA-N 423.477 0.914 30 20 HCED CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 549354273 FAHIXCLDCCMECU-ZDUSSCGKSA-N 404.500 0.501 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCc3nnc4n3CCCC4)CC2)cc1 551557820 LLJDDAMYVCXWJZ-UHFFFAOYSA-N 421.505 0.837 30 20 HCED COc1cc([C@@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)ccc1OCCO 557383708 LJLYZDKPMWZXDL-CYBMUJFWSA-N 415.450 1.531 30 20 HCED CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 560271179 LUPABLBXMVBVIN-ZDUSSCGKSA-N 411.466 1.055 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N(CCO)Cc3ccccc3)C2=O)cc1 564071399 VAZXOSFLZLBWLG-HXUWFJFHSA-N 420.469 0.796 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CCSCC3)C2)c(F)c1 564112297 ABMFHKZXZJSPPC-MRXNPFEDSA-N 419.526 0.947 30 20 HCED Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CCC2 571360295 UVJIWKUFJHLXDZ-MRXNPFEDSA-N 424.509 0.448 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 577685485 VURNVRBCAMPEIQ-UHFFFAOYSA-N 403.439 0.542 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)n1 577788066 RKHVEGLQJYJLNW-TZMCWYRMSA-N 408.340 0.992 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)C2=O)cc1 579517907 ZBUXQSBIHBMDBC-SQNIBIBYSA-N 423.473 0.045 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)c1 582757087 WELJRZKRJPPGRV-HNNXBMFYSA-N 404.492 0.886 30 20 HCED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583889595 RDIQAYLJQQIZRJ-SFHVURJKSA-N 413.455 0.963 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 583894493 WYSWFTUYVXKIOA-HDICACEKSA-N 408.543 0.344 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC#Cc2cccc(F)c2)c1 584542725 FJJQZNCUNUHJMQ-UHFFFAOYSA-N 410.405 0.408 30 20 HCED CC(C)OC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 587659563 SLIDFIOPPNAENY-SFHVURJKSA-N 415.494 0.691 30 20 HCED N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)n1 589452910 LCGCUSLUFRFAEB-CQSZACIVSA-N 420.472 0.671 30 20 HCED C[C@H](O)[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609316065 VJEDZUMOBWEHTH-FUHWJXTLSA-N 420.535 0.626 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cn1 613094295 LUITXKBJEVXURZ-GOSISDBHSA-N 423.477 0.791 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O 726042907 OKRCIWSAKHCYJQ-JTQLQIEISA-N 404.335 0.442 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2cccc(Cl)c2)c1=O 727165349 YSCRHPYEQHRECZ-UHFFFAOYSA-N 408.892 0.139 30 20 HCED C=CCNC(=O)c1ccccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 728074873 MASJBYFHONJSRD-CYBMUJFWSA-N 418.475 0.706 30 20 HCED C#CCNC(=O)CN1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 728566524 IAUCYMJWTLKWKK-UHFFFAOYSA-N 410.434 0.431 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N2c3ccccc3NC(=O)C23CCCC3)CC1 728572445 DRCDGXOHMYTWGZ-UHFFFAOYSA-N 423.517 0.652 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1OC 729877640 AIKDGXSNVNTVDH-LBPRGKRZSA-N 413.452 0.286 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 730583467 MUFUNGWKQLQPAY-UHFFFAOYSA-N 416.507 0.451 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732466637 QGNVQDSYRXSDRT-AYGAQVIVSA-N 407.471 0.086 30 20 HCED COc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1OC(F)F 732910673 RYAYUELVYAPNRE-NSHDSACASA-N 402.375 0.876 30 20 HCED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)nc2c1c(=O)n(C)c(=O)n2C 739144210 PTFGDRBHCXOYDH-CYBMUJFWSA-N 415.450 0.194 30 20 HCED Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(C(=O)C(=O)N2CCCC2)CC1 739837642 OBSQVMRXICKXLQ-UHFFFAOYSA-N 407.478 0.849 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745443451 FFJMQVZDBGNAGM-KHORDMKYSA-N 411.414 0.785 30 20 HCED Cc1nc(C(=O)NCCNc2ccc(C#N)cn2)nn1-c1n[nH]c(C(F)(F)F)n1 747354801 ITGBVFCWXKTDBP-UHFFFAOYSA-N 406.332 0.821 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CCOCC2)CC1 747432373 PEBYDVIGVABZSK-UHFFFAOYSA-N 420.535 0.829 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(Cc3ccc(OC)cc3)n2N)CC1 749999757 FHOVZULRDUCBFB-UHFFFAOYSA-N 400.508 0.461 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 753891000 FCVBHJIXHRFILY-CQSZACIVSA-N 404.442 0.953 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 756753250 IJEMYIZAUYIUGQ-CYBMUJFWSA-N 411.484 0.315 30 20 HCED CCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758777731 PHVZPTVLWSQFEF-LSDHHAIUSA-N 408.503 0.209 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(F)(F)F)[C@H](C)C2)c1=O 762511372 RYAQCYKFIGWRLL-CYBMUJFWSA-N 403.405 0.070 30 20 HCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NC[C@H]2Cc3ccccc3O2)cc1 762738141 MQBKZJMNWGGOEG-OAHLLOKOSA-N 403.460 0.847 30 20 HCED COCCN(C(=O)CON=Cc1cnn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 764566924 WUGCHMWHUPETMN-QGZVFWFLSA-N 421.479 0.280 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767627446 NEKGUZOVYRGZPN-KGLIPLIRSA-N 406.464 0.776 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 767635932 HHBFZDDQDBIELI-KZULUSFZSA-N 404.448 0.577 30 20 HCED CCOC(=O)c1cc(F)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 778624326 YBRQPWNDKRFFSM-NXVVXOECSA-N 411.411 0.807 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@@H](C)c2ncn(C)n2)C1=O 780323891 YJMLKVKBAOKCFG-GCPJXVEOSA-N 401.496 0.950 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784925813 IPOQKJBUNWSQNI-PYCFMQQDSA-N 414.487 0.923 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 787758025 WZHYWQYCIJGPBX-UHFFFAOYSA-N 404.434 0.097 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cn3c(S)nc4ccccc4c3=O)CC2)c1C#N 788593108 ZFLRNGOMUPSWDK-UHFFFAOYSA-N 423.502 0.948 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 790368636 NYTAUTHHSCZUAG-UHFFFAOYSA-N 419.425 0.873 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1(C#N)CC1 797545027 QKQIGHKSEZYFIW-UHFFFAOYSA-N 422.463 0.075 30 20 HCED C#CCC[C@H](O)CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 799074478 JMETWMLBBMZKNV-HNNXBMFYSA-N 410.492 0.797 30 20 HCED CNC(=O)c1c(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n[nH]c1C 799104806 YAJLHCKYZAHCHJ-VIFPVBQESA-N 404.452 0.534 30 20 HCED Cc1cccnc1[C@@H]1CCCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 799112473 VPAJBJOKDDRQNT-CYBMUJFWSA-N 405.480 0.780 30 20 HCED N#Cc1cc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC(F)(F)F 799594425 XZNBLAMAXYEURU-NSHDSACASA-N 420.369 0.882 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 800052914 MWDYHIRFDMGRAD-NSHDSACASA-N 402.489 0.567 30 20 HCED C#Cc1cccc(N=c2scc(-c3cnnn3C)n2CCN2CCNC(=O)C2)c1 803196845 XZKSGQWRXVWNPE-UHFFFAOYSA-N 407.503 0.991 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCOC)c1)c1ccc(F)cc1 813040816 BOYSHQXZSTWZAH-MRXNPFEDSA-N 401.398 0.214 30 20 HCED O=C(NC1CC1)OC[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 813271181 HAZCPZRRTDXALH-CQSZACIVSA-N 420.491 0.995 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 814181036 UDLOBQDTOWLCGY-XHSDSOJGSA-N 411.499 0.836 30 20 HCED N#CCCOCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 815168882 ZVVFNODTHBWMFN-UHFFFAOYSA-N 423.491 0.773 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)C2CCN(S(N)(=O)=O)CC2)cc1Cl 913214897 VAUMYKAIBORYJL-UHFFFAOYSA-N 400.844 0.609 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)cc1 918287835 WZPTWMYZEMNCNY-HUSAPJIJSA-N 408.480 0.421 30 20 HCED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 997357565 MVEUAZPOWGBFIL-LEKSSAKUSA-N 415.534 0.631 30 20 HCED CCO[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CNc1nccnc1C#N 1048012860 SCIIKISRKTZJEZ-MISMHTLLSA-N 401.467 0.675 30 20 HCED CN(C)c1n[nH]c(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 1183451009 OQXYBNQJMZJYLW-UHFFFAOYSA-N 417.495 0.427 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1 1203939931 VZHFQKCNVKBUSL-ZDUSSCGKSA-N 402.436 0.942 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN(C)C 1303868289 VMKLPPWKNXJMEV-UONOGXRCSA-N 413.548 0.205 30 20 HCED CN1CCN(CC2(C)CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1320139732 NTOVAEWAZYOGOC-HNENSFHCSA-N 418.542 0.572 30 20 HCED N#CCN1CCC(NC(=O)c2cncc(C(=O)NC3CCN(CC#N)CC3)c2)CC1 1321621479 IYZRFUSKQQVDKD-UHFFFAOYSA-N 409.494 0.517 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCn2cnc(C#N)n2)cn1 1327854258 BEUZDTYYWQQXPC-LBPRGKRZSA-N 401.456 0.134 30 20 HCED CC(=O)N1CCN(CCn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)CC1 1359402202 RGUJKBLMIPINOH-INIZCTEOSA-N 416.530 0.160 30 20 HCED N#Cc1ccc2c(c1)CCN2C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1468915527 LSLUZBLJMKHAEC-UHFFFAOYSA-N 410.455 0.882 30 20 HCED N#Cc1cncnc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1611975925 NRBZLBKLPGNYHV-UHFFFAOYSA-N 400.420 0.190 30 20 HCED CCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1616510525 URTLFUXYKWMBBE-INIZCTEOSA-N 411.466 0.971 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)CCO1 1696964923 SBEIBJGHZGRQBH-DYESRHJHSA-N 410.478 0.929 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1741693203 JVHYZSMGIODNEU-NRFANRHFSA-N 411.510 0.844 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCc1cnn(C)c1 1741919504 UFYQLDIXHWBWGH-CQSZACIVSA-N 420.543 0.995 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)C(F)(F)F 1778264589 ZJPDPFQJWLJZHE-KRWDZBQOSA-N 404.433 0.182 30 20 HCED COc1ccc2[nH]cc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c2c1 1778509703 PTIHAJCHIXEWOS-NRFANRHFSA-N 411.414 0.708 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779877830 MFYAXAWKDJWGTL-YCRPNKLZSA-N 413.478 0.787 30 20 HCED Cn1ncc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1Cl 1779930361 SEMORDCYMULBNY-FZKQIMNGSA-N 408.842 0.289 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1780243799 RVKVZGQKYWLKND-JOCHJYFZSA-N 421.457 0.718 30 20 HCED COCCOCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782056377 AMADDCMXNRELMK-OAQYLSRUSA-N 401.463 0.973 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(Br)n1)CCO2 1783055074 SWYRUFMSQSALCF-QGZVFWFLSA-N 408.252 0.929 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3ccncc3)[nH]n1)CCO2 1783566937 NWEPIVUYSBUCKK-FQEVSTJZSA-N 409.402 0.003 30 20 HCED 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435447581 QDHVYHGCVSFJAB-UHFFFAOYSA-N 402.479 0.444 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 437477870 UVESOXZLAPDEHZ-SUMWQHHRSA-N 415.537 0.760 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)C1=O 440262300 WQIFMANLSVPUNR-MRXNPFEDSA-N 423.491 0.291 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 444896834 DSCLSYROERRCGC-UHFFFAOYSA-N 416.873 1.245 30 20 HCED CS(=O)(=O)[C@@H]1CCCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 447370169 ZXTLPOVHVDVDEF-OAHLLOKOSA-N 416.463 0.503 30 20 HCED COC(=O)[C@](C)(CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(F)cc1 447468768 GKJYHWRQPFDOBY-HXUWFJFHSA-N 415.425 1.430 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 447471819 NOQQZMDKRNKRIJ-UHFFFAOYSA-N 423.491 0.948 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 460715856 CHPACBATHGJAFT-CABCVRRESA-N 423.477 1.292 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 462098310 OJDHFBFIJDSLEU-UHFFFAOYSA-N 409.410 0.742 30 20 HCED COC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465408219 SWDVGVWCJOWGLO-ZDUSSCGKSA-N 408.418 0.811 30 20 HCED N#C[C@@H]1N(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCC[C@@]12CCCCO2 468669186 RCWBTRGPOHEHRT-GUYCJALGSA-N 410.452 0.111 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 474815314 FFAOXAZIOOEKND-MRXNPFEDSA-N 421.567 0.757 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(C#N)ccc1Cl 476529926 GLUBKCPEPMKOJQ-ZDUSSCGKSA-N 415.855 0.280 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2CC(=O)NCc2cccc(C#N)c2)cn1 483021932 QUQMUAOILVZNDA-GOSISDBHSA-N 401.492 0.863 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 488193049 MKJVENVRNXWAIK-INIZCTEOSA-N 407.496 0.930 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 490004571 MOWKRHFDYSGDQB-NVXWUHKLSA-N 404.492 0.289 30 20 HCED CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)N1CCN(C)CC1 498446476 UBEQCKOAOKBTDR-LJQANCHMSA-N 421.567 0.880 30 20 HCED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507764878 ZCZFVUCDVSNIGI-PBHICJAKSA-N 409.450 0.399 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 509602507 ITJDPCZCHMFJLF-OLZOCXBDSA-N 406.555 0.685 30 20 HCED CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC(=O)N(C)C1=O 513944084 JXZGOBGFAMLQEW-DOMZBBRYSA-N 406.464 0.221 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 518336460 WASJVBRUQHNUDZ-HZPDHXFCSA-N 408.499 0.901 30 20 HCED Cn1cc(C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(O)nc1=O 519483354 BNZIELZVNJIZGR-CQSZACIVSA-N 421.417 0.393 30 20 HCED CCCN(CCCN(C)C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 521674009 XOTUSWWHMINASV-LJQANCHMSA-N 413.522 0.966 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C1CC1 522241979 NSQDKGATRGQLHO-UHFFFAOYSA-N 405.277 0.651 30 20 HCED N#Cc1ccc(CN2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)cc1 533238097 RXVYIFFXSKYQIQ-UHFFFAOYSA-N 421.501 0.856 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 543222263 PCTKFMKXZVATFI-XPKDYRNWSA-N 400.435 0.647 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 545296642 OMVCHTFXDPOSBA-UHFFFAOYSA-N 416.434 0.423 30 20 HCED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2CCCOC)c1=O 549548478 ARFLURQTKWNJJJ-UHFFFAOYSA-N 417.535 0.438 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)CC)CC1)C(C)C 550835162 JXDHOTXXSMOROV-KRWDZBQOSA-N 414.572 0.295 30 20 HCED Cc1csc(CCCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)n1 561162146 MFHVPCHRZYDISM-UHFFFAOYSA-N 403.512 1.159 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 567269865 BAJPHEJQJCZHQL-KBXCAEBGSA-N 424.379 0.696 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC(=O)c2ccc(C#N)cc2)[C@H](C)O)cc1 568425655 QTKBJRYBTMMTEH-IFXJQAMLSA-N 415.471 0.894 30 20 HCED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)Nc3n[nH]c(C4CC4)c3C#N)ccc21 569027843 UJWLDYFKJHQYOZ-UHFFFAOYSA-N 408.422 1.102 30 20 HCED C[C@H](CN1CCOCC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 569612985 KVBOZGLDVXYKGS-MRXNPFEDSA-N 406.508 0.359 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(CC(F)F)CC3)C2=O)cc1 576306870 NVFUGUOORXQXGO-MRXNPFEDSA-N 419.432 0.579 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)cc1 589451802 BDHIKESTZNJWAV-MRXNPFEDSA-N 404.492 0.744 30 20 HCED Cn1cc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)cn1 609266170 SHZIWQGHEBLUDV-UHFFFAOYSA-N 416.507 0.570 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 684781333 IPFUUQLEKLVBDT-QXGSTGNESA-N 424.519 0.917 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2[nH]c(C)c(C(=O)OC)c2CCC)CC1 729281570 HTKAKZCGFUALGM-UHFFFAOYSA-N 402.495 0.960 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(CC(F)(F)F)C1=O 732560696 SAVGENIAYYEFQL-NSHDSACASA-N 418.397 0.395 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)CN2CCN(CC)C(=O)C2=O)ccc1OC 733278492 WFVOVOVXEQIZAA-OAHLLOKOSA-N 402.451 0.683 30 20 HCED C[C@H](CC(=O)N1CCC[C@@H]1C(=O)NC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 742547597 RVWUAVMFXRANRQ-IUODEOHRSA-N 404.492 0.773 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)CC1 747819977 FRAIRSUSFFAHOI-IBGZPJMESA-N 423.579 0.796 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(CC#N)cc2)cn1C 750621815 RAVVSZZISWAAKM-UHFFFAOYSA-N 419.463 0.645 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCNc2ccc(C#N)cn2)c(C(=O)OC)s1 751000377 YQSBVETWYBAHOS-UHFFFAOYSA-N 424.460 0.978 30 20 HCED C[C@@H](CC(=O)OCC1CCS(=O)(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 753580266 FOVDMADBZUBYDG-LBPRGKRZSA-N 414.505 0.872 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 755491077 CGBPPRRQYZAGJK-LBPRGKRZSA-N 404.872 0.755 30 20 HCED COCCN(CCOC)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 757895739 BXDMTTKNBSJHMX-CQSZACIVSA-N 406.505 0.271 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cscc2Cl)c1=O 758069247 OBSUIUOUTMNOGC-NSHDSACASA-N 421.931 0.912 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2ccnn2CC)c1=O 758082693 FOAKQIBNGPKSFU-YJBOKZPZSA-N 423.542 0.957 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)CC2(C#N)CC2)CC1 766033340 YIDKZQXCGZUEPQ-UHFFFAOYSA-N 400.501 0.727 30 20 HCED C[C@@H](CC(=O)OCCN1C[C@@H]2CC[C@H](C1)O2)/N=C1/NS(=O)(=O)c2ccccc21 767557629 HNGOULHCFXRZRP-SOUVJXGZSA-N 407.492 0.910 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NC(C)(C)C 767672869 AAYCCZBSMUMNCM-NSHDSACASA-N 410.452 0.393 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NOC2CCOCC2)cc1 773641183 YGZBSYAERJXIML-LTGZKZEYSA-N 424.479 0.665 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCN(C)C1=O 774022480 HHQFQPZMXBAFMM-HNNXBMFYSA-N 412.402 0.388 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 781591723 DCCNXJSTFTVKFI-GFCCVEGCSA-N 402.407 0.946 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 783481612 QOOPQIIIKCVLSK-GFCCVEGCSA-N 414.281 0.740 30 20 HCED C[C@H](CC(=O)N1CCc2nc(N)ncc2C1)/N=C1/NS(=O)(=O)c2ccccc21 790056704 STQPYHNZZYCULI-LLVKDONJSA-N 400.464 0.461 30 20 HCED C#CCN(C)C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 790964071 MUGFPNRGQQDHOD-UHFFFAOYSA-N 407.471 0.038 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 792445427 QHSFFAQXCGOMLE-KRWDZBQOSA-N 413.522 0.753 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(CCOC)c1=O 794580334 BAXISIWRCDESNH-AWEZNQCLSA-N 416.503 0.271 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514928 KPDZCNDEKXCBOZ-IBGZPJMESA-N 423.491 0.747 30 20 HCED CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798813161 QNHDRJCDNOKIIZ-LLVKDONJSA-N 406.424 0.462 30 20 HCED COc1ccccc1-n1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cn1 798835271 UWXLWWNHJYORIA-NSHDSACASA-N 401.408 0.410 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 799026860 PKYKKCYTHTVSCG-HOCLYGCPSA-N 410.515 0.897 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)c1 800964869 UHZPYFVYVRXHQX-UHFFFAOYSA-N 418.456 0.963 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CCCO1 803124273 AJAJMCBAPQIKBV-JKSUJKDBSA-N 421.519 0.677 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 804053241 IVRXNPBUCMGMPS-UXHICEINSA-N 411.506 0.182 30 20 HCED COC(=O)C1CCN(C(=O)CON=C2C(=O)Nc3cc4c(cc32)OCCO4)CC1 813161219 SDMGOELCQAIMCU-UHFFFAOYSA-N 403.391 0.542 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cccc(CS(N)(=O)=O)c3)NC[C@@H]2C1 849087258 RWTMTHMATVZRFK-MRXNPFEDSA-N 423.539 0.856 30 20 HCED N#Cc1c(COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cn2ccccc12 914651371 HDJMBGYEVSCTJA-UKRRQHHQSA-N 401.444 0.890 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCS(C)(=O)=O)nnc12 915790500 NJPBZXUIQZQNDK-UHFFFAOYSA-N 421.504 0.483 30 20 HCED CCCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 916876950 LAAWQTWFIVIPAH-MRXNPFEDSA-N 420.491 0.436 30 20 HCED N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 917045123 RZQIGDFYJYFBJU-MRXNPFEDSA-N 418.475 0.188 30 20 HCED O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C#CC1CC1)[C@@H]1CC[C@H](CN2CCOCC2)O1 1005040993 QBJOZZYIZHFODF-UEDWAMCQSA-N 401.507 0.528 30 20 HCED O=C(N[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C(F)(F)F)[C@@H]1OC[C@@H]2COCC[C@@H]21 1008710073 WTAQVQJIMLXFKJ-DEQQHWRFSA-N 400.397 0.957 30 20 HCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)CC1 1316533500 SBRCLVQUQPFCJZ-UHFFFAOYSA-N 413.486 0.428 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC1(C#N)CC1 1337237643 HDALPWUJUSDROW-AWEZNQCLSA-N 400.478 0.615 30 20 HCED CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1359940575 MKBWVTNWAMBSAS-GJZGRUSLSA-N 412.516 0.386 30 20 HCED COC[C@@]1(CO)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1468139004 WJAAGNFAKGHOLJ-FQEVSTJZSA-N 421.519 0.816 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ncn(C)n1 1510200921 UDHJXCVOMLPTBN-WBMJQRKESA-N 407.504 0.195 30 20 HCED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCC(O)CC1 1587303180 KATURPJMJPLOTK-LBPRGKRZSA-N 415.425 0.798 30 20 HCED CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 1622671683 IGGUOFUPOFBJOK-UHFFFAOYSA-N 407.496 0.879 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1692664645 PJBYKUHNHJLMCN-UONOGXRCSA-N 423.499 0.628 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1706077735 PNDGVYOHRKHHHF-QLFBSQMISA-N 412.516 0.386 30 20 HCED C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1708258650 IQGJWEOPNHLFCC-CQSZACIVSA-N 420.495 0.503 30 20 HCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1726638963 PUPNODNVUODPIB-CQSZACIVSA-N 416.507 0.918 30 20 HCED COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cn1 1730776000 YHJHJFLYEVUXJD-UHFFFAOYSA-N 420.477 0.986 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1746522604 XQJOSVSKGIYWCH-UHFFFAOYSA-N 420.481 0.845 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1778968625 UXZRQIXYVDRQML-UWJYYQICSA-N 404.511 0.903 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018562 AFGSJBRNCRWRHM-GNCZZYFXSA-N 406.527 0.861 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n[nH]1 1779105929 WMTDZOQTSSVMAP-UAOQYHQXSA-N 419.482 0.945 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NNC(=O)C2)C1 1779303960 PHQQTRXONREGJR-OXQOHEQNSA-N 406.483 0.359 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779816363 VBKUENBBVNFMOG-ZRHASKPBSA-N 419.869 0.432 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ncon2)C1 1779929476 PIYNQCUBUGLOTI-LFSDFAJISA-N 403.439 0.056 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cn5cccnc5n4)CCO3)C2)c1 1780333954 BONWQEQXWJJFQD-FQEVSTJZSA-N 405.418 0.686 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)c(OC)c([N+](=O)[O-])c3)C2)C1 1782118982 DHXOEMYBKOIJRN-LJQANCHMSA-N 403.391 0.689 30 20 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N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CNc4ccccc4O3)C2)C1 1834761249 VMNJYSXCBVVNRK-IERDGZPVSA-N 414.462 0.620 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1835096587 DCGFWYIRLJGMTD-HXUWFJFHSA-N 412.471 0.660 30 20 HCED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342112 KRDUGDUYWLXQLX-AUUYWEPGSA-N 419.507 0.704 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346573 HHNDFKUOBHXFKQ-FQEVSTJZSA-N 422.482 0.271 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1835362713 STFCSJDNJMVTAW-NQIIRXRSSA-N 401.463 0.350 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc(N)nc1C)CCO2 1835807770 OBGCIYONEDGDPF-LJQANCHMSA-N 406.508 0.907 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836112681 KPZZNVVWFANKOD-GOSISDBHSA-N 405.480 0.329 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnccc4F)CCO3)C2)CCC1 1836320406 BDHMTAVPQJXLPR-FQEVSTJZSA-N 402.426 0.985 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1836858335 KWQNDNQLNRVBGZ-OAHLLOKOSA-N 416.478 0.833 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cscn3)C2)C1 1837394562 CVHYZENYLVOSIB-BEFAXECRSA-N 409.508 0.786 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1837560274 UOYYFNLVMKYCTI-DKLCPLSMSA-N 401.423 0.192 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837974236 UROQCTCGWHDJMB-HRAATJIYSA-N 419.478 0.751 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1838357955 OYJZWEBKSWSSPQ-IBGZPJMESA-N 423.510 0.853 30 20 HCED CNC(=S)NCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838395556 APEBGZLKVLZPDZ-ZDUSSCGKSA-N 416.613 0.787 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1=C3c4ccccc4C(=O)N3CC1)CCO2 1838458897 HXQZTIUJTXEDMK-QHCPKHFHSA-N 421.453 0.347 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838680957 QVLPDRGFHCNTRO-OXQOHEQNSA-N 406.483 0.361 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)nn1 1838753781 BNFCIIDOFTZNFP-LJQANCHMSA-N 404.471 0.407 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C(C)(C)C)nn1)CCO2 1838760488 UKTKGKMLYHUSFN-OAQYLSRUSA-N 417.510 0.907 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838816813 UHPUOMOTRGOXRS-UTKZUKDTSA-N 405.495 0.995 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1839173254 GSGRBYHWNKEXPT-NJNPRVFISA-N 420.506 0.998 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1839888403 KZFPFJQWCNOVGK-HNNXBMFYSA-N 402.423 0.820 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1)C(F)(F)F 1839892220 ZSMPMIJKEUZYSI-KRWDZBQOSA-N 416.400 0.917 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1)C(F)(F)F 1839894849 VEMMDKPGKGTYBQ-WBMJQRKESA-N 407.389 0.086 30 20 HCED Cc1cc(F)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043722 QBHKFSSFYUPSSV-FQEVSTJZSA-N 404.394 0.292 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840160972 AIONJIDINVCAFN-ORAYPTAESA-N 404.492 0.951 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840173301 OHXDIQOYJDGMHH-OAQYLSRUSA-N 411.462 0.913 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1840211646 JMBRWFKIKZZVRO-IIBYNOLFSA-N 401.463 0.972 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1840293490 DNVUVBPMSNUHOJ-PGRDOPGGSA-N 421.538 0.941 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCCn4ccnc4)CCO3)C2)CCC1 1840385555 OMSJHCHDBYORBR-NRFANRHFSA-N 415.494 0.814 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840422828 LOIAPVNHJKLXHI-HTAPYJJXSA-N 413.474 0.719 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840489420 UXSSYPOBUWKZPT-LZJOCLMNSA-N 418.494 0.247 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)CCc2cccc(C#N)c2)C1 1841260019 TXBHUBYCEGMXGD-IBGZPJMESA-N 412.490 0.845 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2)C(F)(F)F 1846016347 TWARYMOLSAVIJV-UHFFFAOYSA-N 400.357 0.579 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197455 OYWUVYFAVMDNFD-CQSZACIVSA-N 403.435 0.194 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1846370115 XIZFLNSHODBSHU-QWHCGFSZSA-N 401.529 0.784 30 20 HCED C=CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 9082846 XATHTDGKYWFUJU-UGSOOPFHSA-N 406.460 0.713 30 20 HCED C[C@@H](Cn1ccnc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 47027701 ZJKLGGFMLKMTRD-HNNXBMFYSA-N 402.480 0.859 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\C[C@@H]3CCN(S(C)(=O)=O)C3)NC[C@@H]2C1 305249050 IPIFXEUZIMUDOV-UONOGXRCSA-N 401.533 0.148 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 409539345 VXLIPAUNWDWLCL-MRXNPFEDSA-N 400.501 0.658 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 410117122 DEUKGBUXWRCXCB-MRXNPFEDSA-N 423.543 0.162 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 426560660 RDEJEOOCQRAHDD-FUHWJXTLSA-N 410.478 1.266 30 20 HCED CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)NCCC#N 427859322 NYNYVHINDRSIBZ-UHFFFAOYSA-N 407.496 0.896 30 20 HCED COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCO1 434861375 MPQDLWDGCHHPIB-QZTJIDSGSA-N 422.507 0.768 30 20 HCED Cn1c(C(=O)N(CCC#N)CCN2CCOCC2)cc2c(=O)n3ccccc3nc21 439474242 WOPICZBNKUMVHL-UHFFFAOYSA-N 408.462 0.874 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)C1=O 440260563 OCVJKKNWEKLPSS-MRXNPFEDSA-N 403.435 0.812 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C#N)cn1CCOC 460116993 YXIBJRSFUYGLJK-KRWDZBQOSA-N 412.468 0.882 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(S(=O)(=O)N(C)C)cn1C 461311261 UXPISGOSXZBYIM-UHFFFAOYSA-N 413.463 1.289 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCc2cccc(C#N)c2)s1 467764919 DDLURQXRZYWIHG-UHFFFAOYSA-N 420.516 0.893 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)N(C)CC4)CC2)c1C#N 472876672 QANZYCNLAFSNTI-UHFFFAOYSA-N 407.478 0.880 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 474788059 DYKVRFWYPGDIBN-HOTGVXAUSA-N 407.540 0.367 30 20 HCED COc1ncc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1C(N)=O 475242042 BGZSVSSUVZMXDF-UHFFFAOYSA-N 408.418 0.348 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)CCS(C)(=O)=O 482423998 PHDCVMWGLSNJQJ-GFCCVEGCSA-N 401.510 0.555 30 20 HCED CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 489588120 GBMAVIPUYIPTGZ-NVXWUHKLSA-N 420.539 0.980 30 20 HCED CCCCCN(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 490210384 AIECDDZXIILSEO-UHFFFAOYSA-N 422.551 0.876 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1=O 499150289 VXZYBTNMBABMIR-QGZVFWFLSA-N 414.462 0.925 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502316453 UTMLRVNMLBBUIS-DLBZAZTESA-N 412.556 0.844 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 503675349 NSVUQCWNTUMFTJ-AWEZNQCLSA-N 420.470 0.494 30 20 HCED CCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511233457 RUIPVWAAJNMFID-UHFFFAOYSA-N 412.896 0.827 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc3ncsc3c2)CC1 512065628 AIHBCWHABQZQTQ-CQSZACIVSA-N 415.519 0.920 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCN2CCNC(=O)C2)CC1 512711699 KRWWQTMKNZPWDS-UHFFFAOYSA-N 413.438 0.070 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 514419126 MLFBFMORYKRQBZ-SUMNFNSASA-N 406.483 0.810 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 521076501 UYAPOGHLPQEOLY-DOTOQJQBSA-N 409.508 0.651 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1Cc1ccon1 531938681 RLRMNAFITXLDGP-UHFFFAOYSA-N 402.457 0.265 30 20 HCED COC(=O)C(C)(C)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533412207 BXNHRAVISKGGAS-UHFFFAOYSA-N 401.423 0.996 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCS(=O)(=O)C1 543940146 ZPFPCWLUVMYFJZ-GFCCVEGCSA-N 405.411 0.467 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)nc1 551334117 MADKDSNROCGZEG-UHFFFAOYSA-N 407.478 0.494 30 20 HCED COC(=O)c1cn(CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 556420766 HXSSGCBCINGBBX-OAHLLOKOSA-N 411.422 0.431 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1ccco1)N1CCCC1 559389322 UFSOKWCFQUQTBE-INIZCTEOSA-N 413.482 0.801 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)C1=O 559656780 NUDDVOCNGOSQCX-GOSISDBHSA-N 402.495 0.489 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3ccnn3C)CC2)c1C#N 560841369 PZZLJGHBCFKIIZ-SUMWQHHRSA-N 413.507 0.925 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@H]1n1cccn1 568129751 MRISTLKHQSJUAJ-ZHALLVOQSA-N 417.491 0.910 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(F)cc2CSC)CC1 579522836 BSQIXWWILWGODI-UHFFFAOYSA-N 422.526 0.751 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)C1=O 579688821 MMUCAUDROJJDEA-INIZCTEOSA-N 404.442 0.225 30 20 HCED COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)ccc1C#N 579894466 DVDJJCCCHVPSIN-UHFFFAOYSA-N 404.448 0.846 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2)C(C)C)CC1 584734591 BYDZEVQNLMDFDW-LJQANCHMSA-N 400.523 0.989 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C 585761264 MDSHZXQNWILGCK-LSDHHAIUSA-N 414.466 0.660 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCO1 588815043 HTURUPOFGAPOIF-KRWDZBQOSA-N 414.510 0.219 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 589138855 IPLBBSVKAZGGRG-KXBFYZLASA-N 400.479 0.763 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 589268037 ZRHREVKAXWIJCJ-UHFFFAOYSA-N 405.480 0.197 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 609204038 JHMUWGZYDDUQRP-HNNXBMFYSA-N 403.483 0.011 30 20 HCED N#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 609337533 UJXDKARSBWVFFY-QGZVFWFLSA-N 406.508 0.862 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 609812844 JHIUNJQAMBSDBJ-HNNXBMFYSA-N 410.434 0.939 30 20 HCED CCOC[C@@H](C(=O)OC)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 610942455 UHMFBGPJQLZNEY-HOTGVXAUSA-N 416.434 0.800 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 611547943 BIXVTIWCMIEBOK-ROUUACIJSA-N 411.462 0.297 30 20 HCED N#C[C@]1(F)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 615824538 JSXAQUHFFXEIFW-PVXIVEMSSA-N 412.399 0.183 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 619730967 BYZBMMPLRQMBAU-GOSISDBHSA-N 419.441 0.776 30 20 HCED CCC(=O)N1CCC[C@H](C(=O)NCC#CCNC(=O)[C@H]2CCCN(C(=O)CC)C2)C1 681338453 CLDWWPOHOSHMPJ-ROUUACIJSA-N 418.538 0.519 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CS(C)(=O)=O 733288037 XBGDXKPOGIPGNH-OCCSQVGLSA-N 415.537 0.833 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1C1CC1 736585675 WLNUWBWCMQLDDY-UHFFFAOYSA-N 418.544 0.974 30 20 HCED C#CCCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 740737410 CLJKQORWXVVWBV-UHFFFAOYSA-N 423.535 0.976 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(=O)N(C)C 742535282 QXKSLAIEKUAXSK-UHFFFAOYSA-N 424.526 0.420 30 20 HCED N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 744008101 UTRIWSSLQLBCIL-UHFFFAOYSA-N 421.456 0.077 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(Cc3ccc(F)cc3)no2)C1=O 744918779 MUPIGBQOPZCHLN-UHFFFAOYSA-N 402.338 0.820 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 746216325 YAKUJSKKHZIPPN-WBVHZDCISA-N 422.526 0.641 30 20 HCED COc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1[C@]1(C)NC(=O)NC1=O 747406499 FHLDIBGXXWEHPF-INIZCTEOSA-N 404.408 0.271 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)NC)CC1 747999094 FLPKMKANVLHOCO-OAHLLOKOSA-N 421.523 0.768 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)CC1 753822041 DNDUCWGAELGSEL-UHFFFAOYSA-N 415.402 0.128 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c([N+](=O)[O-])n1 754817833 YCASZLAJEOHLER-LLVKDONJSA-N 414.444 0.945 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)c1 761012414 QIJOOTGQJNOXFM-UHFFFAOYSA-N 420.422 0.891 30 20 HCED COC(=O)[C@H](CC(F)F)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 762350628 PSEGSNIXNIFYDQ-KOLCDFICSA-N 403.407 0.817 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)c1cc[nH]n1 772398008 SCNOWDPSKAKPID-ZDUSSCGKSA-N 405.455 0.743 30 20 HCED C#CCCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 779519276 JRHZLRIKGLUNOD-APWZRJJASA-N 407.536 0.627 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCCNc3ncccc3C#N)no2)cn1 780826174 XDHGKWUTOWDZOA-HNNXBMFYSA-N 423.437 0.932 30 20 HCED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 781222349 JFIGWWWLTLNSBH-OAHLLOKOSA-N 422.551 0.809 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 781598672 ARCLWIBOLGMYPQ-OAHLLOKOSA-N 415.406 0.622 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)NC2(C#N)CCC2)[C@H](C)O)cc1C 784186052 JNTKUZQXQSMVGO-YOEHRIQHSA-N 423.491 0.437 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)c1 785319306 BYRQHOJDFIFSSP-INIZCTEOSA-N 406.402 0.990 30 20 HCED COC(=O)[C@](C)(CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 787522321 XHLGJMGFMMDPTE-HXUWFJFHSA-N 415.471 0.972 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)O[C@@H]3CCCN(c4cc(C#N)ccn4)C3)[nH]c21 791974763 FBLVQYVJPQXFJQ-CYBMUJFWSA-N 423.433 0.774 30 20 HCED COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N(C)C[C@H](C)C#N 796243992 ZKHFGVCHVKGDMJ-KGLIPLIRSA-N 418.516 0.807 30 20 HCED CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 796376772 KIMVJNIWVBESNF-WPCFGXOUSA-N 408.455 0.655 30 20 HCED C#CCC[C@@H](O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 799205113 NNIMOUSEAVDYDX-CQSZACIVSA-N 411.480 0.612 30 20 HCED CCc1ccc([C@H]2CN(CC(=O)NCCC#N)CCN2CC(=O)NCCC#N)cc1 801558228 UGXIHEDVUVBMJY-HXUWFJFHSA-N 410.522 0.967 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)c(F)c1 802566055 XQUGORMXGYJQIG-LLVKDONJSA-N 403.345 0.736 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)c2C1 803837287 BZUSIBIXAXZMQY-KRWDZBQOSA-N 409.446 0.926 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](N1CCOCC1)C(F)(F)F 806781023 UFJPSJAVVRDTRD-HUTFPVNGSA-N 405.377 0.075 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)[C@H](C)C1 807453707 DOTJXFSEZWANRL-KGLIPLIRSA-N 408.480 0.798 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)C1=O 808406576 JWPNGHKNGIYMCP-AWEZNQCLSA-N 408.499 0.795 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCCO1 808798683 QRCKCUNAQGGLKS-DLBZAZTESA-N 405.476 0.140 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 914632386 ORJUHHLKHZYLCM-CQSZACIVSA-N 408.476 0.565 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(C)C 914687529 QGEOUBWESUXMDE-FUHWJXTLSA-N 424.567 0.967 30 20 HCED CC(=NNC(=S)NC[C@H]1CCCO1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916312237 PFZLHGFKMRKWJR-CYBMUJFWSA-N 414.509 0.417 30 20 HCED CC(C)(C#N)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 919350034 CLLCILMCFRZPFW-UHFFFAOYSA-N 409.464 0.417 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1157761168 RRKOLLPLLCQYPH-WCQYABFASA-N 415.493 0.081 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2CC(N)=O)CC1 1195235031 VLWJRAFLQBYUAG-MSOLQXFVSA-N 403.458 0.111 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1300881584 XSUAPVYHTBUKKQ-UHFFFAOYSA-N 421.465 0.289 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2cc[nH]n2)CCO1 1303004674 ROGWAQOWRURREI-ZDUSSCGKSA-N 410.413 0.966 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 1317697932 HZXHDPSHVMXYDD-GOSISDBHSA-N 411.480 0.961 30 20 HCED Cn1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cn1 1318924785 YZARHLCBIZGLDJ-SFHVURJKSA-N 421.461 0.846 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 1319607291 WMNVTYWVSGCJHX-HNNXBMFYSA-N 403.464 0.342 30 20 HCED CN(C(=O)CSCC(=O)NCCn1cc(C#N)c(O)nc1=O)C1CCCCC1 1470361293 QRRBTTRCVLKBSN-UHFFFAOYSA-N 407.496 0.461 30 20 HCED CSCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(N)=O 1529047144 MZXNXAHPGVFUCV-INIZCTEOSA-N 424.548 0.682 30 20 HCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1545263441 UCNKHVBZMVOOLF-OIPACUDHSA-N 411.528 0.706 30 20 HCED Cn1nnc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCO[C@@H](C#N)C2)n1 1554366044 MMLLFQZNPUJIOM-JTQLQIEISA-N 419.247 0.336 30 20 HCED CN(C)C(=O)COC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1587513700 YOFWXSYRQLBQAA-CYBMUJFWSA-N 404.854 0.880 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2CCC3(C2)OCCO3)C1 1685409130 UQQRQSOLVMHLHO-LSDHHAIUSA-N 409.487 0.493 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1698493675 OUFPUAOOBAWEJS-INIZCTEOSA-N 424.440 0.890 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1764565917 UMONUOUPCKRYMR-SFHVURJKSA-N 409.494 0.864 30 20 HCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@@H]1CCS(=O)(=O)C1 1768540294 PCKUMLJBMCJRAL-APWZRJJASA-N 417.491 0.591 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777829604 MOQNHWZVTUHCME-XOBRGWDASA-N 414.466 0.141 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2)C1 1778967863 JKACBZGNOGQWQH-JKSBSHDWSA-N 423.554 0.940 30 20 HCED Cc1nn(C)c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1F 1779016041 KWBGLJZBWQIYGL-CNSRZQHFSA-N 420.489 0.783 30 20 HCED O=C1CC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CN1 1779063251 PRZOJXQBVZFLFJ-VGOFRKELSA-N 417.506 0.041 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1779252250 BEOJJWAHWFLMAG-VBKZILBWSA-N 401.467 0.635 30 20 HCED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780038484 CZNZDUZMKFGHOA-IIBYNOLFSA-N 424.461 0.521 30 20 HCED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)c([N+](=O)[O-])cc1O 1780195595 ADEQSHSIWRRSKS-SFHVURJKSA-N 404.379 0.666 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1C)CCO2 1781265143 JXWRELWCCXXELK-NRFANRHFSA-N 417.462 0.338 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(Cl)nn1)C2 1782013503 OYZLKEOGLTXBPM-FZKQIMNGSA-N 406.826 0.346 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782958643 HPVUDHAWKOMPOW-YLJYHZDGSA-N 417.487 0.579 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1783337544 ZFQKPAONEBWLMJ-LZNRXBQRSA-N 400.475 0.458 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(C)n(C)n3)C[C@@H]21 1784478246 WTTLLGQLWDYZRO-NEPXVJNWSA-N 402.495 0.289 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nnc(C)s3)C[C@@H]21 1784478847 MTTYYEJNAOBPNB-IWCQGFGOSA-N 420.535 0.797 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3C)C[C@@H]21 1784501279 NFVVQBACBDCEEG-CVYDXHPNSA-N 403.479 0.570 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csnn3)[C@H]2C1 1784672041 XUHYRJRCZSZJTM-YDHLFZDLSA-N 406.512 0.413 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784803440 JPCMFAUEIUYBLP-PGRDOPGGSA-N 419.570 0.971 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785383031 IKFOOOGWPFEKSZ-QVKFZJNVSA-N 414.462 0.292 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccco3)C[C@@H]21 1786369003 ZFKHPAAWYQOVEA-GHKOJRRNSA-N 400.435 0.345 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc(C)cn3)[C@H]2C1 1787115893 JYNSGDKEDUACRH-XSLAGTTESA-N 404.511 0.744 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1788178818 VAOZOOXCNUAPQH-QZWWFDLISA-N 405.495 0.856 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)nn3)[C@H]2C1 1789104779 IBHQVIGCOUYDQV-OTRWWLKZSA-N 418.494 0.652 30 20 HCED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(C)c1 1791078919 KPYGNEMGMMIAMK-WBAXXEDZSA-N 400.431 0.685 30 20 HCED CC(=O)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792426038 JHLABKBEUOLSKX-HATOLVCRSA-N 412.490 0.607 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccc1)C2 1792491332 MGZNNJMTVYWSNA-KBGCSPIHSA-N 400.479 0.497 30 20 HCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)nn1C 1792559214 POBNTKCFZJFKQQ-UPHUGPLXSA-N 423.473 0.746 30 20 HCED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccc(Cl)cc1 1792835510 WKCKKCSSYXXSIK-BCEDRHLLSA-N 417.893 0.793 30 20 HCED C=CCC(CC=C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](COC)NC(C)=O)C2 1792923136 XDFXWJDIEBFOJF-FCGDIQPGSA-N 407.511 0.496 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(N(C)C)o1 1794601130 KDOOUWWTEXLZHT-XRGAULLZSA-N 406.483 0.517 30 20 HCED CC1=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CCO1 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20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1802018012 XTIPIYFBUZTKIQ-DFGXFYAUSA-N 423.510 0.265 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)COCCO)[C@H]1c1cccnc1 1808631734 MHXOIOKTIVSTNQ-HHXXYDBFSA-N 406.483 0.897 30 20 HCED COCc1oncc1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808822855 DPDSJZXLBGEODK-AUUYWEPGSA-N 412.402 0.624 30 20 HCED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1811188813 MTMYOPUVVXOAHL-DETPVDSQSA-N 414.491 0.608 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)Cc2ccccc2)[C@H]1c1cccnc1 1812880750 RTBWLWIMZCOULX-IPJJNNNSSA-N 421.453 0.779 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812880877 VBWQRSCCWIGQPC-HRAATJIYSA-N 409.446 0.758 30 20 HCED CS(=O)(=O)CCC(=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1813573884 NSSIKMSMRZZOMJ-XLIONFOSSA-N 403.504 0.936 30 20 HCED Cc1nn(C)c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)c1F 1816243984 KVUGYTJVGPLINK-GFCCVEGCSA-N 402.386 0.985 30 20 HCED N#CCC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3n(n2)CCCNC3=O)[nH]n1 1816743694 QPBORJOVBBRZRY-CQSZACIVSA-N 410.438 0.959 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCO4)sc2C1 1819122171 LTUISNDIKPQGRD-JTQLQIEISA-N 415.431 0.436 30 20 HCED C[C@@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCNC3=O)[nH]n1 1822378626 UTSAXXQACMFIPR-MFKMUULPSA-N 417.495 0.974 30 20 HCED Cc1cn(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@@H](C)S)[nH]n2)c(=O)nc1O 1823369623 BJPOEFGHXKMANZ-DGCLKSJQSA-N 420.495 0.991 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)CC2 1825018238 UWZUDRKMFAEPNP-LBPRGKRZSA-N 410.521 0.360 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)C1 1829667784 BSLLKJIMLNNBLR-GOSISDBHSA-N 405.411 0.354 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1830061396 BAQZVTPPUDJRIG-HXUWFJFHSA-N 403.435 0.718 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3CC)C2)C1 1831421808 RPOYGFFQDDRJAD-QRWLVFNGSA-N 407.467 0.898 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1831423989 AMHJNSKIONFWLL-KKSFZXQISA-N 419.478 0.757 30 20 HCED C#CCCCC(=O)N1CCC([C@@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486937 DFFACBHSQBOQHF-FQEVSTJZSA-N 407.555 0.696 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnco1)CCO2 1831932330 OYTSCEGAZQJHGR-SMHWIJLPSA-N 422.438 0.274 30 20 HCED CCc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1Cl 1833592132 DJJWVJTZTLMFDE-GOSISDBHSA-N 409.874 0.620 30 20 HCED COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1834080302 GHXAMQPOUJJDCD-UHFFFAOYSA-N 402.499 0.918 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834292436 YPDDGFRTIXBKCY-JOCHJYFZSA-N 406.442 0.598 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1834764821 DOHVIQLYBYGTNF-LJQANCHMSA-N 401.398 0.457 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834850849 LRWAIUXZIHATCA-GOSISDBHSA-N 400.497 0.315 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc5c4NC(=O)C5)C3)C2)CC1 1835346802 UFROOLBCFDDTQW-JOCHJYFZSA-N 424.457 0.555 30 20 HCED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(C)n1C 1836067835 CZKRHAKNCHXBDY-UHFFFAOYSA-N 414.506 0.915 30 20 HCED N#Cc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c1 1836345496 BNRVKKZVIBXOSJ-OAQYLSRUSA-N 424.461 0.379 30 20 HCED CC(C)[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1836883323 SXYBBUNGEFDUTD-SFHVURJKSA-N 402.557 0.948 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4[nH]ccc4n3)CCO2)C1 1836908574 FHFJIECBJQIRBD-ORAYPTAESA-N 404.492 0.951 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1837391064 GYAQKJLIQWHJDF-DYESRHJHSA-N 409.527 0.112 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837562813 QURVFPHATKFTHF-XZEIMLRBSA-N 419.478 0.582 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1837668298 FOJPEUHRPDXGDV-OXJNMPFZSA-N 420.514 0.683 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CSC(=N)N)C3)C2)c1 1838905912 GFIBHKJDHDPHFX-IBGZPJMESA-N 417.491 0.255 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2C[C@H]2F)CCO3)cc1 1839093852 BEHYDZRULHXLAS-WAOWUJCRSA-N 401.438 0.915 30 20 HCED COC(=O)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cn1 1840160646 OJDKYDDUIMJVFL-BFUOFWGJSA-N 423.491 0.257 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)c4ncccc34)C2)C1 1840161068 CYIZOGXHQANEBW-VLIAUNLRSA-N 418.519 0.962 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1840167292 HXUJAQSEENEFQX-IBGZPJMESA-N 406.508 0.649 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840216871 TVPPIWPYHFLJOL-LAUBAEHRSA-N 408.495 0.710 30 20 HCED C[C@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840713654 NUKNHDLDWBMAMI-GSHUGGBRSA-N 414.506 0.978 30 20 HCED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)Cc3ccc(C#N)cc3)C2)c(=O)nc1O 1841101431 VDGCOIQWYOTYGE-UHFFFAOYSA-N 421.457 0.575 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2 1841746384 ICMUJETZCFCSTB-CQSZACIVSA-N 419.486 0.346 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@H](C)ON=C(C)C)C2 1844287391 SNJCPKIKQDEQCI-XJKSGUPXSA-N 411.455 0.486 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1845188541 DAVPCJICLDWFBK-OAHLLOKOSA-N 401.467 0.990 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846999940 RORZCZMSMQHABD-OAQYLSRUSA-N 405.495 0.975 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)ccc2c1=O 21473783 HWNMFIIWSAUKPC-UHFFFAOYSA-N 413.459 0.685 30 20 HCED CC(=O)N1CCN(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 23146532 OPWQPMIBRHYSRF-UHFFFAOYSA-N 412.450 0.619 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)nc1 50111878 NDOIPOGWBBCKKM-HXUWFJFHSA-N 416.551 0.993 30 20 HCED N/C(=N/CCC(=O)N1CCN(c2ccccc2)CC1)NCCCN1CCOCC1 303969012 BHNHGTUNNBXRKM-UHFFFAOYSA-N 402.543 0.352 30 20 HCED COc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 409644520 NSEXFIDFVYLZDN-UHFFFAOYSA-N 402.432 1.235 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)CCS(=O)(=O)CC3)CC1 428687302 DNELVMUIEVRGLD-SFHVURJKSA-N 410.584 0.970 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 428878070 BFXUQGYFLUSYDB-KRWDZBQOSA-N 413.478 0.972 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 430379538 UIKGXBYHDPUCKS-DOTOQJQBSA-N 422.507 0.012 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 430406355 GOABPEWIUDGEGA-ICSRJNTNSA-N 420.554 0.631 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 435651274 QWVXDQYSTXOTIY-UHFFFAOYSA-N 401.442 0.793 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 437479564 UTAKCEDAKBPYIZ-LBTNJELSSA-N 407.492 0.784 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 438063699 CNDLBEKNAHTCDW-WBVHZDCISA-N 411.528 0.726 30 20 HCED CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 441850269 NHJWCQWGMHNVRR-MRXNPFEDSA-N 401.467 0.527 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)n1 444511868 PMDVMAYCABIZOK-UHFFFAOYSA-N 416.388 0.998 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 446528781 XLTZCPRCSQHXND-UHFFFAOYSA-N 401.423 0.030 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(C3CCCC3)c2C)CC1 446672793 RBOMLJVSYXACPV-UHFFFAOYSA-N 402.499 0.692 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCC2CC2)cc1 478665027 ULYKNACYBXNZIB-UHFFFAOYSA-N 408.480 0.074 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1S(=O)(=O)NCC#N 480817002 NNKPWACYYBWXGM-LBPRGKRZSA-N 418.397 0.690 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1Cc1ccon1 480951230 IZAHWYKGWIPEKJ-UHFFFAOYSA-N 422.466 0.760 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481742472 LGTPUYWUZUVJLJ-CYBMUJFWSA-N 416.525 0.013 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 481748539 UIGJPOIKWMINJR-OAHLLOKOSA-N 416.507 0.303 30 20 HCED CC(C)CN1C[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCN2C1=O 488726654 VPWYVQXAYIYARY-RBUKOAKNSA-N 404.559 0.757 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2)c1=O 489091765 BMDPZZQRKBNEJP-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 491137455 COFZDHAPCUEITD-UHFFFAOYSA-N 422.507 0.536 30 20 HCED Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)nn1CCC#N 504293094 JLKYFKYHHSBQLI-ZDUSSCGKSA-N 416.463 0.744 30 20 HCED CN(C)C(=O)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510311271 SUPWOPZRIGXFKB-UHFFFAOYSA-N 406.508 0.944 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513671108 GFJIPPWYAKNFGX-YEJXKQKISA-N 422.445 0.881 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 516092274 SCGQBYDKXGDLJM-UHFFFAOYSA-N 406.446 0.990 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 519962933 RMQLMRUALFMNHA-UHFFFAOYSA-N 412.471 0.853 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(-n3cncn3)c2)CC1 520013537 RYKDCOCUTXEGLH-UHFFFAOYSA-N 423.458 0.681 30 20 HCED CCOCCCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 540297698 SDJCLMLLSRMERO-FQEVSTJZSA-N 421.586 0.934 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 545294707 DOXDEEQHWQUOQE-UHFFFAOYSA-N 415.494 0.908 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC)CC2)nn1 545388582 BSJLBSNACHKCCT-UHFFFAOYSA-N 412.406 0.747 30 20 HCED N#Cc1cccc(C2(NCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)c1 551712775 JFSPILMQFHCRMG-SFHVURJKSA-N 402.520 0.468 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)n1 558161245 MBDCEZSOJJYVDF-ZDUSSCGKSA-N 403.447 0.158 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1ccc(-n2cccn2)cc1 559515601 UULOMSXUMQJCGB-UHFFFAOYSA-N 420.477 0.799 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@H](C)N3CCCCC3)CC2)c1C#N 561620619 CSDZOCZBVRGWSH-INIZCTEOSA-N 415.542 0.630 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 565902231 HJMPIOXDONBEBH-UHFFFAOYSA-N 412.494 0.729 30 20 HCED CCNC(=O)C(C)(C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 570268402 COXMKGPIPLZTAO-INIZCTEOSA-N 413.478 0.054 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 588866031 HXNWMYGVBGOVJJ-NZSAHSFTSA-N 409.490 0.722 30 20 HCED CCOC(=O)CN(C)C(=O)Cn1cc(I)c(C)c(C#N)c1=O 589257222 POBURGWCTARNQK-UHFFFAOYSA-N 417.203 0.655 30 20 HCED Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2cncc(C#N)c2)c(C)s1 589284832 CBJFDUGNIBCHNA-UHFFFAOYSA-N 400.507 0.888 30 20 HCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 608911653 NZWLEBUSAKBDCY-UHFFFAOYSA-N 422.441 0.676 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H](C#N)C3)c2)CC1 609282220 NHLVALJQRAGXNS-MRXNPFEDSA-N 407.496 0.769 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cnc(N3CCCCC3)s2)C1=O 726043234 TTWVCWZTGLVLKK-UHFFFAOYSA-N 420.447 0.836 30 20 HCED CC(C)CNC(=O)NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745497764 RSJJUWKKEBNLSR-GFCCVEGCSA-N 424.479 0.529 30 20 HCED C[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)Nc1cccc(C#N)c1 746944159 XZTQRRMNQOCHSZ-NSHDSACASA-N 407.386 0.688 30 20 HCED C=C(C)[C@@H](CC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1)OCC 755565125 CDNSASVTCQJNAM-HUUCEWRRSA-N 408.542 0.019 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)CC1 756959484 LDJYUYLYVGENIW-HUUCEWRRSA-N 402.495 0.721 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cscn2)c1=O 758058666 IBPRNHUNVCQUGQ-UHFFFAOYSA-N 402.526 0.078 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(c3cc(OC)cc(OC)c3)CC2)CC1 758745827 VTWSCKPDVVFAJR-UHFFFAOYSA-N 400.523 0.993 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758752511 BVYKTXPKIKWWJX-JKSUJKDBSA-N 403.483 0.916 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O 767678646 GBOBKFHJAKMLHJ-SUMWQHHRSA-N 421.475 0.548 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CCOC)CC2)c1 768356627 WQIBEETYOJTFDP-UHFFFAOYSA-N 407.492 0.355 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nnc(C)o3)cc2)CC1 774287379 HBLWFLWWAVFCRD-UHFFFAOYSA-N 412.450 0.430 30 20 HCED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 776116208 LINCZCQYVHEIBD-BSDKJSHOSA-N 418.475 0.539 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 783048977 BGOHZVLTYPIIQJ-UHFFFAOYSA-N 421.523 0.863 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 783541581 IHWIYBROJUWZAS-HZSPNIEDSA-N 402.538 0.610 30 20 HCED COCCCN(CCO)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 783739753 CPPJIFYUPJVGDD-MRXNPFEDSA-N 411.524 0.997 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CCCO1 786662533 IUMCFEWFZGLXDF-CABCVRRESA-N 413.883 0.032 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 790849332 AGOXLTLVVUSOKN-UHFFFAOYSA-N 408.480 0.657 30 20 HCED COC(=O)CC[C@]1(C)NC(=O)N(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 793589083 GJOKQQDUFRPQAX-LIRRHRJNSA-N 401.423 0.628 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(N(C)C)no1 793852923 WCFBHBWIWWRJEN-CYBMUJFWSA-N 420.495 0.905 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C(C)C)c1=O 794644623 GSYCKZFLSNIHMN-HNNXBMFYSA-N 410.499 0.819 30 20 HCED CCn1c(S)nnc1C1CCN(S(=O)(=O)N(CCC#N)CCOC)CC1 800049646 SKTWTIMVKUXROA-UHFFFAOYSA-N 402.546 0.873 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 800075923 MMCYBJKOALPBAP-HUUCEWRRSA-N 403.549 0.853 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N(C)[C@@H](C)CC#N)CC1 800899634 QUJKHJDTDUOHBZ-AWEZNQCLSA-N 417.532 0.572 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCCCC4)O3)CC2)c1 806700512 UCQNRHMEYWOSHQ-KRWDZBQOSA-N 413.478 0.794 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC4(CC3)OCCO4)C2=O)cc1 808179070 PLSDUQAXYGWAIJ-QGZVFWFLSA-N 412.446 0.535 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)[C@H]1CCCO1 809313530 VDGSFBZOYGLBGY-ZWKOTPCHSA-N 417.437 0.172 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)n1 809867079 LKCJJZGKKGBVSS-SFHVURJKSA-N 403.527 0.728 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 811809857 YTENKKNAUPWUSB-AWEZNQCLSA-N 414.465 0.105 30 20 HCED C#CCN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)N(CC#C)CC#N)N1Cc1ccccc1 813240351 QMMXGJNFDNQQSM-OYRHEFFESA-N 401.470 0.990 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CC1 815719261 ZGVPSXGJJRPKPT-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CC(=O)N4CCCC4)CC3)CC2=O)cc1 1115908664 FPZXOSOYUXHUNM-GOSISDBHSA-N 409.490 0.678 30 20 HCED N#C[C@@H](C(=O)CCc1nnc(-c2ccccc2)o1)C(=O)N1CCS(=O)(=O)CC1 1122408901 RWFVYEXXPWMKJV-AWEZNQCLSA-N 402.432 0.635 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)N(C)C)CC1 1141247960 YRAAFOYQXUSNAI-CYBMUJFWSA-N 407.496 0.487 30 20 HCED NC(=O)[C@@H]1CCCN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C1 1251902863 UJWQTXACLNWFQL-GALDBLJUSA-N 411.462 0.645 30 20 HCED 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CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 54875984 BIDPAMHTTFNQHX-UHFFFAOYSA-N 415.494 0.953 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3cc(C(N)=O)co3)n2)c(Cl)c1 427480418 PHZMXCCVTKSYOT-UHFFFAOYSA-N 412.793 1.344 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)cc1 432436489 LTYGENCFPOXLET-CVEARBPZSA-N 408.480 0.114 30 20 HCED COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 434861374 MPQDLWDGCHHPIB-MSOLQXFVSA-N 422.507 0.768 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)n1 438783039 OOAJRGWNSGZZIX-HLLBOEOZSA-N 402.499 1.374 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCCc3cccc(C#N)c3)ccn2)CC1 440147503 QCEJPSZEDOVQTE-UHFFFAOYSA-N 420.473 0.638 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 446533893 ZEKKFCNQKYWARQ-KRWDZBQOSA-N 416.478 0.867 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 448301950 JUTQHMHKSCFDIA-CQSZACIVSA-N 419.445 0.761 30 20 HCED N#CCCCOc1cccc(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 461891708 WSFNNCGCMYEWKW-UHFFFAOYSA-N 405.436 0.713 30 20 HCED N#C[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1cccc(Br)c1 464801048 CQXGMDMUOKYSBQ-GFCCVEGCSA-N 402.270 0.868 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1c(=O)nc(O)c2ccccc21 465135584 ZJLQWWCJIQNHIY-AWEZNQCLSA-N 419.445 0.891 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 465200967 SAAAKKVHYWNUOK-HUUCEWRRSA-N 406.512 0.447 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)CC2)c1C#N 472059970 YOZBGAGRCLCKRU-ZDUSSCGKSA-N 413.404 0.595 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 476905949 QEIFCTMSZPNFHC-LLVKDONJSA-N 418.449 0.730 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 477957185 FBHHUEACNPFETH-CQSZACIVSA-N 411.505 0.999 30 20 HCED COc1c(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)nn1C 480042728 NKQDUDIFJBWJGX-KRWDZBQOSA-N 424.461 0.142 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 484607170 QMFMVFPJORSCGA-UHFFFAOYSA-N 424.523 0.222 30 20 HCED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487525849 WDHBHEHPUWPZLU-CPUCHLNUSA-N 404.492 0.876 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)CCO1 490427882 SFXUNOBMGRCXAN-QWHCGFSZSA-N 415.269 0.223 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnc(C)o3)c2)CC1 491087659 WIDAONZGHRHCDR-UHFFFAOYSA-N 412.450 0.430 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)Nc2cc[nH]n2)c2ccccc2)C1=O 498547572 SVEYFWZSYMASKC-HNNXBMFYSA-N 410.390 0.183 30 20 HCED Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(CCC#N)CCN3CCOCC3)c(C)c12 502527843 GEWZPYFRVKLJRX-UHFFFAOYSA-N 414.510 0.886 30 20 HCED C[C@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 505983850 DXTIQFGHWTVFOB-BBRMVZONSA-N 409.533 0.847 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508930521 MBNTYCFJQICNOD-HOTGVXAUSA-N 413.544 0.845 30 20 HCED CCN(CCC#N)S(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 509637045 HZQBJNGGEDKNIS-CYBMUJFWSA-N 406.555 0.829 30 20 HCED CCOC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H]1CCCOC1 511636333 WCNUSOQKFYHWIB-NVXWUHKLSA-N 423.491 0.885 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 522635477 LUCUUHWKEZBZEF-OAHLLOKOSA-N 402.480 0.458 30 20 HCED Cc1ccc(C(=O)NC2CCC(S(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 525058353 UPQBCZFIXKHYDN-UHFFFAOYSA-N 413.521 0.883 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)NC(=O)[C@H]3C2)n(Cc2ccco2)c1C 534954467 CMVLICOYOXONBV-MRXNPFEDSA-N 410.434 0.792 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)n1 536970196 VZLCPWOUJWYSRZ-UHFFFAOYSA-N 424.509 0.998 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 538167023 HGLJBPQDQTWEPR-LBPRGKRZSA-N 411.480 0.375 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)C1=O 540006852 DDFBVTVIEFETHR-SNVBAGLBSA-N 406.345 0.163 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)cc1 540023611 MEFCOBQDISZMDB-HNNXBMFYSA-N 408.480 0.081 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)CC2 550471228 VZJHQPPYQUZWIN-UHFFFAOYSA-N 416.235 0.938 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 552898188 GJSIWQMCNJJSDE-CABCVRRESA-N 412.537 0.994 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)c1C#N 555614151 LRZKSSOTUXKJQF-UHFFFAOYSA-N 415.542 0.674 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CC2)nc1 555873874 WPLPHEJCBMWLHA-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 556361015 LMRAHQOEOODXJO-KRWDZBQOSA-N 420.477 0.177 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)Cc1cccc(C#N)c1 557496431 UVWZGORPEBRTGI-INIZCTEOSA-N 400.526 0.639 30 20 HCED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 559881506 YXFSHUNMBHSBMC-NSHDSACASA-N 400.254 0.905 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)nn1 560200463 KACOTDDAVFJNMC-UHFFFAOYSA-N 400.826 1.298 30 20 HCED CN(C)C(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 561400926 ODROHXCHRUQGNK-UHFFFAOYSA-N 400.460 0.855 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)CC1 561414906 QEDMWNPCNRPCQU-WCRBZPEASA-N 417.598 0.913 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 565795283 MUBMMMIKMSSHEV-ZBFHGGJFSA-N 406.508 0.990 30 20 HCED CN(CC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1)S(=O)(=O)c1ccc(C#N)cc1 567075626 YRALNHJTGNZPTJ-GOSISDBHSA-N 418.519 0.942 30 20 HCED COC(=O)CCc1nnc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 580744812 LKKUYLWGIPVUFX-UHFFFAOYSA-N 409.449 0.432 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccnn3C[C@H]3CCOC3)C2)nc1 590272734 AMUVRFNTUHYJFI-CVEARBPZSA-N 410.434 0.805 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ccncc3)c2)CC1 590285142 JZBJGDUQDWNFJU-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)CC1 608893803 UHEVCKCSZSUWBP-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911824 QWIRZAFFFORSOP-UHFFFAOYSA-N 400.416 0.031 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(F)c1 610085851 SMPQIAGMWDNRCU-ZDUSSCGKSA-N 405.473 0.464 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610804991 LVHBUNMDGVIOLA-CRAIPNDOSA-N 403.508 0.917 30 20 HCED Cc1nn(-c2ccccc2)c(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1C#N 611346974 VHFDHJLYWYRQLE-UHFFFAOYSA-N 420.473 0.846 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 619521482 BUUQNSXZXSQVQO-UHFFFAOYSA-N 409.468 0.193 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 728533885 COTMKEGGBSIWGS-HNNXBMFYSA-N 402.882 0.587 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCNC(=O)c1cccc(F)c1 732004119 JEKXTNKQRDDXRR-UHFFFAOYSA-N 418.450 0.801 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(CCN(C)C)CC2)c1 733882416 LGEAGDWRFKMWMB-UHFFFAOYSA-N 406.552 0.602 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCN(CC(F)(F)F)C2=O)c1 735710359 JJWHZGXGIUVPGX-ZDUSSCGKSA-N 404.366 0.918 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742618381 XXNBMXBSVQUKGN-JSGCOSHPSA-N 424.548 0.884 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 744009312 BRRLNBKYBZSTHO-NSHDSACASA-N 408.461 0.404 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C[C@@H]1CCOC1 749856232 CUWBEEFXFAPRFZ-INIZCTEOSA-N 407.499 0.968 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)[C@H](C#N)C1 754835518 OLXCWSWEQZTWSF-CYBMUJFWSA-N 421.479 0.455 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)C1 755535874 ITHMSQSDQBPPBJ-FZMZJTMJSA-N 419.413 0.738 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)cc1 757958556 IAZSOCUJIBWZJE-HKUYNNGSSA-N 402.472 0.813 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 761033350 VPDJYAXOZIHBBH-UHFFFAOYSA-N 407.464 0.268 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOc1cccc(C#N)c1 762944347 PQEDABLFEVQSBD-CYBMUJFWSA-N 417.443 0.946 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)c1 763460636 LSHXWDOLGUYINV-UHFFFAOYSA-N 400.529 0.662 30 20 HCED CCc1nnc(S)n1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765656929 IYWQKOZSTBCUTA-NSHDSACASA-N 408.509 0.484 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CC(=O)N(C)C1=O 770531785 BJBRRCIRFNTMKA-GFCCVEGCSA-N 407.452 0.209 30 20 HCED CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc([N+](=O)[O-])c1 771080485 YZPGGZSAEWXPQX-UHFFFAOYSA-N 401.422 0.752 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(-n2ccc(=O)cc2)nc1)c1cc[nH]n1 772546712 HUJUCHBQNPNGBK-UHFFFAOYSA-N 410.390 0.878 30 20 HCED C#C[C@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775807763 VEUNNCJIZJWOBR-ZYSHUDEJSA-N 421.519 0.805 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 780716094 SFTPWPMHBHOKFK-UHFFFAOYSA-N 400.356 0.667 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCCC#N)C1=O 784125804 STULQVDPQLFICO-HGNXGAGXSA-N 423.520 0.574 30 20 HCED N#CC1(NC(=O)COC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CCC1 784210260 KTRWGPDECSSUDO-RCMYXZNBSA-N 424.457 0.895 30 20 HCED COC(=O)c1cccc(COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1C#N 785661712 VBIFHPVCMZRGLV-INIZCTEOSA-N 415.446 0.569 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785662352 RDKYHCQZCOOAEI-TWOQFEAHSA-N 408.499 0.153 30 20 HCED C[C@@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccccc1C#N 786370606 YZGZTQRVEOSRIM-BBVCAZISSA-N 411.414 0.981 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c(F)c1 802559241 JHNAEEYRDLSTKB-GFCCVEGCSA-N 404.417 0.696 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 803206628 QWAGHBSYZPPUCP-CQSZACIVSA-N 400.545 0.689 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 804011084 CDRXRJFTTDHNGK-GOSISDBHSA-N 413.478 0.549 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCC(=O)N2CCCCCC2)n1 804079821 WBJDTYYZSRXVNO-UHFFFAOYSA-N 417.510 0.400 30 20 HCED C#CCNc1nc(N[C@H]2CCC[C@@H]2C(=O)NC)nc(N[C@@H]2CCC[C@@H]2C(=O)NC)n1 804586968 SVNZFSYNCVIXBH-ZQDZILKHSA-N 414.514 0.570 30 20 HCED CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)O2 806704548 PERARJMOBXUZGP-DMAKZNTKSA-N 418.498 0.693 30 20 HCED COc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)cc1C#N 808339918 YRYSPZTXFGHXFC-ZWKOTPCHSA-N 400.479 0.677 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C#N 809501128 BDDUKMHNSLZRCN-QGZVFWFLSA-N 400.435 0.033 30 20 HCED Cn1ccnc1[C@H](O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810655171 JPCKSYQFQAQFCA-GOSISDBHSA-N 417.491 0.542 30 20 HCED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249399 NXUTVTADGAGETD-UHFFFAOYSA-N 410.446 0.746 30 20 HCED N#CC(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@@H]1CCCCO1 814251866 VEOBDBOIWCFQPU-AWEZNQCLSA-N 405.430 0.967 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 815009573 MFCYBTQGFISHNZ-UHFFFAOYSA-N 418.834 0.443 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc2nc[nH]n12 819980217 HNTRVHKLHIRHQG-LLVKDONJSA-N 402.440 0.544 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1nnc(C2CC2)o1 914896558 CVJBFJXZWWNSDO-UHFFFAOYSA-N 405.392 0.279 30 20 HCED Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 915778035 TWTOMYSXQLIUKX-UHFFFAOYSA-N 401.448 0.832 30 20 HCED C=CCNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@]2(C)C1 1101305449 MJKUGDFMUTZUQI-KNNACDGKSA-N 404.511 0.594 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCS(C)(=O)=O 1291195850 ZHCWCIHWLGBUQM-CYBMUJFWSA-N 416.511 0.577 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 1319607294 WMNVTYWVSGCJHX-OAHLLOKOSA-N 403.464 0.342 30 20 HCED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1nc(CC(=O)NC)no1 1327854425 ZOUPKZNWSDDEHW-UHFFFAOYSA-N 408.465 0.838 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCNS(C)(=O)=O 1344642570 OKFBTWJLWWVYNH-UHFFFAOYSA-N 413.525 0.520 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c(F)c1 1346211456 CJAAOCVELKFBAQ-KGLIPLIRSA-N 409.439 0.370 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1475461105 RCXNZOHVAUUACZ-ZYHUDNBSSA-N 403.254 0.865 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1503270148 OPSGUALRZHSNAT-HNNXBMFYSA-N 422.515 0.079 30 20 HCED N#Cc1cn(CC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)c(=O)nc1O 1568730344 ZOSQFURQTRPTHS-HNNXBMFYSA-N 403.439 0.870 30 20 HCED COC[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619571842 KZSCVZAMUCURNC-NVXWUHKLSA-N 401.515 0.973 30 20 HCED COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1661926926 OAJJVAXLDMYDRA-HNNXBMFYSA-N 407.496 0.948 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(CCC#N)CC3)C2)cc1 1682180993 PRCSPFDDVDGIML-UHFFFAOYSA-N 407.496 0.309 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1683752979 UZHNRADKTSZCJN-IRXDYDNUSA-N 420.491 0.730 30 20 HCED C=CCNC(=O)[C@@H](C)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1755174400 PVOSMHBQIXVVIS-QKDSSNGWSA-N 403.523 0.794 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cc1 1761500315 IOZJRWVCPOHVMD-WFASDCNBSA-N 408.459 0.804 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1778973392 FLDQMEALGBIRCQ-QRFQSNJMSA-N 416.522 0.918 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1778978171 DMNOUEVCTRDMAT-UWJYYQICSA-N 404.511 0.972 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cncn1 1779066877 JPZVXLYPSVKIEE-UTKZUKDTSA-N 415.494 0.368 30 20 HCED O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107491 VMKMSDZYAYNGAW-ZAEIIRDFSA-N 417.466 0.782 30 20 HCED COc1ccsc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1779920061 VVMVXLHRVXEBQM-AUUYWEPGSA-N 406.460 0.972 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1781388445 CAJWLNAYCNGRNX-QFBILLFUSA-N 412.556 0.666 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1cncnc1)C2 1782010216 CLQBQEHKCGMZNI-OXQOHEQNSA-N 400.435 0.011 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc3c1OCO3)C2 1782013512 PZQQZEOBVOPLTN-JLTOFOAXSA-N 415.402 0.026 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]cc1I)CCO2 1783055205 UJPYPVAQAFLDGQ-CQSZACIVSA-N 414.203 0.091 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1783682519 AEOBUVANAAYNSL-FPSMNIFISA-N 416.522 0.917 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783889641 RSEJVSVOEIPOBK-LXIYXOSZSA-N 417.528 0.020 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]2C1 1784523750 UQTVECAOWXUTBK-BZSNNMDCSA-N 409.527 0.864 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)cc1 1785631576 NYCUOJNTBZZLBG-LNLFQRSKSA-N 422.441 0.864 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)NCc3ccccc3)C[C@@H]21 1786362418 RJJJVFCVHLEWCG-PMEOWRCESA-N 410.474 0.752 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787435829 VWUDUAHQLXWJIV-TZQJONAQSA-N 410.496 0.436 30 20 HCED C#CCCC(=O)NC1(c2ccc(NC(=O)c3cc(=O)n4[nH]nnc4n3)cc2)CCC1 1788410636 BMKFPXCAPAGATF-UHFFFAOYSA-N 405.418 0.974 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653118 UZRICFJFEHHHAY-SQSOITAFSA-N 424.498 0.007 30 20 HCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789952325 AYHOESJPFVHNJU-QEOTZNIISA-N 410.515 0.682 30 20 HCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OC(C)(C)C)[C@H]2C1 1790177463 UECINTIGEGOZFZ-FPXQBCRKSA-N 423.510 0.613 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC(N)=O)[C@H]3C2)c1 1790852603 JOAWGYCZDSFNTN-QRTARXTBSA-N 402.426 0.556 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCn3ccnn3)[C@H]2C1 1791644975 DZYXFPIHPVDSHQ-BZSNNMDCSA-N 405.499 0.631 30 20 HCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCC(=O)N2)C3)c1 1792831388 XSKPYXHGEBDQER-BMQTXXJKSA-N 410.474 0.359 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 1793061876 BFNHWTPKUYVDHC-RCJHGTSTSA-N 405.495 0.903 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSc1ncccn1 1795838141 DLCKDDSXYMLJRQ-MPTYRVRUSA-N 421.523 0.959 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]nc2ccncc12 1796207643 GOOCKTZUUFRRRZ-CNWIRUGESA-N 424.461 0.020 30 20 HCED N#Cc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CNC(=N)N)C3)c(C(F)(F)F)n1 1796458816 SACJVABBHYFJKB-ZSBIGDGJSA-N 423.399 0.707 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(F)(F)F)nn1C 1798191785 VNFKGHDHCOGRTE-XHSYRHOGSA-N 406.430 0.960 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4c(n2)OCCO4)C3)c1 1798693584 QKYGJXJHQZTPBY-ZSBFGKGUSA-N 423.429 0.570 30 20 HCED COCCn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C#N)cc2)n1 1798919752 ILQYQKOYTBBUMM-OPVJXMOQSA-N 423.473 0.918 30 20 HCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F)n1cncn1 1799748756 VORQOSAPOUANEN-FRQROOTJSA-N 412.425 0.753 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1[C@H]2SC=C[C@H]21 1800253309 UEJRAISDQBCHDJ-PSTFYZFSSA-N 406.504 0.961 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1800991533 KMVTZDISVLDHBB-CCWDJLKJSA-N 419.503 0.492 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]1c1cccnc1 1802674135 JYKFOFMBIPSHNX-HHXXYDBFSA-N 417.510 0.950 30 20 HCED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)C1 1806011490 HZWVNDWKCWDMMM-MRXNPFEDSA-N 420.510 0.799 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cc(O)n[nH]2)[C@H]1c1cccnc1 1807282607 KBJIRHZLHBTVPT-JTTZZOPQSA-N 424.461 0.688 30 20 HCED CCOc1cnc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)cn1 1812874492 KUOALFGQBOSHHZ-MGPUTAFESA-N 423.429 0.678 30 20 HCED NC[C@H](N)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C/C(=O)c3cccs3)sc2C1 1817287101 ZOJSPSNDYUTGGM-PZIAFJOJSA-N 419.532 0.842 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1819709141 GMZHAWNJLVNAGE-SMDDNHRTSA-N 420.539 0.468 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](C)n2cnnn2)n[nH]1 1822849954 APANGDJRYMCNCH-GZBFAFLISA-N 400.443 0.688 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1824488408 CYMFRDCFEHMYHR-NJAFHUGGSA-N 406.527 0.237 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cc1cn3c(nc1=O)SCC3)CC2 1825022896 WBEUJHAQCSMIGF-NSHDSACASA-N 415.500 0.593 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1831425603 VXQRUJSVFRLLFE-LZNRXBQRSA-N 418.490 0.768 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1831426397 KXEKJZLDFNQZPS-QRWLVFNGSA-N 407.467 0.898 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1832452077 RPLQAESIWAQNHV-ICSRJNTNSA-N 420.535 0.457 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832882413 PFFOWRCJKJPVCE-NRFANRHFSA-N 416.478 0.004 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833167485 WDJZDHYHCZEMSA-IIBYNOLFSA-N 418.494 0.049 30 20 HCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1C(F)(F)F 1833327071 WTQJYHIGSDHNQI-INIZCTEOSA-N 415.372 0.423 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1833615863 AOPFAFGQLZUEAQ-UHFFFAOYSA-N 414.506 0.287 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833656499 GXUCTWMOBUSFJI-JOCHJYFZSA-N 423.473 0.751 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833815170 MXESCWNRUDAMRZ-FOIQADDNSA-N 419.482 0.656 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834236610 MGEYPOHNUYLLPR-OXQOHEQNSA-N 406.483 0.063 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)on3)CCO2)C1 1834346622 YTQBKZLHTLAJCF-OXQOHEQNSA-N 407.467 0.626 30 20 HCED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1834418152 HSWUMUZVFIFJOG-JXFKEZNVSA-N 421.498 0.774 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599715 SQHFHSVSLDXDOC-SFHVURJKSA-N 403.527 0.776 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835998972 FKAYPAOMDDXPJV-UTKZUKDTSA-N 403.479 0.517 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)N3CCN(C)CC3)CC2)CC1 1836373134 ZFKXONYVAUMYTH-GOSISDBHSA-N 405.587 0.770 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)o1 1837448965 XXZJUPDJTICSPG-NRFANRHFSA-N 415.446 0.721 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(Cl)ncn4)CCO3)C2)CCC1 1838260466 VFOLTFLRXJQBMZ-LJQANCHMSA-N 419.869 0.894 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)c1 1838908520 FIOPRSLLKNUXAP-QFIPXVFZSA-N 413.474 0.933 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1839224064 MWLBAWAUMMAPRU-WIYYLYMNSA-N 424.542 0.730 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1839226278 KGJAMDJENUJTIY-AHRSYUTCSA-N 410.515 0.386 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)c(O)c3)CCO2)C1 1839264922 QKNPQGHPYXCTTL-VGOFRKELSA-N 416.474 0.809 30 20 HCED C[C@@H](CN)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423507 GKTXDJZUVWZQNF-XOBRGWDASA-N 420.897 0.876 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)C2)C1 1839806338 LBOGYDDVGDTEHD-IIBYNOLFSA-N 421.494 0.545 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840168166 BQLGWOZQVXGOQI-HEDKFQSOSA-N 403.479 0.081 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840292748 HSKDDVOFXBRWJB-NRFANRHFSA-N 418.494 0.692 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840606282 ZCATWXYNAFLVQC-QRKMNUTDSA-N 408.495 0.318 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(OC)n3)C2)C1 1840840146 BPXSUPRTUAYJFH-OAQYLSRUSA-N 401.463 0.503 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840843314 IJIXGEHEZBWJEE-NPPFBWRTSA-N 417.506 0.257 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2ccnn2CCOC)C1 1843509837 UITLWDIQDFFERC-UHFFFAOYSA-N 404.467 0.856 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1845188235 WWABRFSDHHGWHK-KRWDZBQOSA-N 400.479 0.664 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)[C@H](C)NC=O)C3)N(C(=O)OC(C)(C)C)C1 1846449754 LIBZUVMOVGDDDK-HOTGVXAUSA-N 420.510 0.890 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)cc1 430223747 VQFXWMZPXNVHJE-SFHVURJKSA-N 400.479 0.864 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O 439327035 MCNGHBDKUZCREU-KRWDZBQOSA-N 422.507 0.958 30 20 HCED Cc1nc2c(c(O)nn2C)c(C)c1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 440247008 MIBCNQWEPJCWNW-UHFFFAOYSA-N 424.465 1.369 30 20 HCED C[C@@H](O)CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](C)CO 443814350 ITAKTOWSMZTLSP-VXGBXAGGSA-N 405.842 0.926 30 20 HCED Cc1ccc(-c2nc(CC(=O)Nc3ncccn3)no2)cc1S(=O)(=O)NCC#N 445840313 IETGIHZFYGRJOD-UHFFFAOYSA-N 413.419 0.818 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 446530875 JOVSTPOTRSTZNR-UHFFFAOYSA-N 411.466 0.339 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(=O)c1 468439776 RAHORPLBHVZEGU-RXYZOABWSA-N 406.442 0.780 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)Nc1cc(-n2cnnn2)ccc1F 472591277 QHFHBWJOTBWZSB-UHFFFAOYSA-N 402.434 0.288 30 20 HCED CC(=O)N[C@H](C)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 475672549 OXXKSYJZXYGNJR-ZIAGYGMSSA-N 406.508 0.988 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnc(C(=O)N(C)C)c1 482226618 OXIMBIMOWFTCPP-LBPRGKRZSA-N 401.448 0.961 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cccc(-n4cnnn4)c3)C2=O)cc1 486649175 GPRDBTGDAYJXIT-GOSISDBHSA-N 423.458 0.613 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c1 488810712 BBMHELYEXXVHDL-CQSZACIVSA-N 401.510 0.305 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N(CCC#N)Cc3cccnc3)cnc21 488856086 LBEKMLYIPAWAPJ-UHFFFAOYSA-N 400.420 0.534 30 20 HCED Cn1c(=O)c2ccc(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)nc2n(C)c1=O 494578957 KWPREQWICVIZRX-UHFFFAOYSA-N 415.413 0.824 30 20 HCED C=CCn1c(SCC(=O)N(CC(N)=O)CC(N)=O)nnc1-c1ccc(Cl)cc1 500010766 UUQFXBYCXRJQLZ-UHFFFAOYSA-N 422.898 0.676 30 20 HCED CCCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502045661 VDYFZZLKHVMIGQ-OAHLLOKOSA-N 415.519 0.242 30 20 HCED CC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 504442204 LBVJXSMLDFXVKA-ROUUACIJSA-N 413.478 0.990 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 505288216 UGLXKUVRPWZIHJ-JKSUJKDBSA-N 410.434 0.792 30 20 HCED COc1cc(C)cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 511474190 ZBDWGYONLOFMDA-UHFFFAOYSA-N 410.478 0.882 30 20 HCED COc1cc(CN2CCN(C(=O)NCC(=O)NCC#N)CC2)cc(OC)c1OC 511917291 SUQZNRXGUDGGFB-UHFFFAOYSA-N 405.455 0.179 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCCSC)c1=O 512775890 DZHPZQPKWQIEFW-UHFFFAOYSA-N 417.560 0.661 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 512974766 HEQXLJULJCHGAN-CQSZACIVSA-N 401.354 0.222 30 20 HCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3C)c2=O)cc1 514396921 NEVYNFXFJXKAFW-UHFFFAOYSA-N 409.471 0.280 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ncc(-c3ccccc3)cn2)CC1 517256336 SCKZGGHVBOKSFS-UHFFFAOYSA-N 422.489 0.206 30 20 HCED CCc1nn(CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(=O)c(C#N)c1CC 517659447 NXYAOYMLSKRIST-UHFFFAOYSA-N 403.464 0.834 30 20 HCED C=CC[C@@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 539322207 ZPRJSDQDARRVEH-QGZVFWFLSA-N 423.535 0.601 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 550868215 CRPHWBUTVAGPRS-UHFFFAOYSA-N 414.509 0.457 30 20 HCED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 556030313 PLMDQOWKIYGBPL-UHFFFAOYSA-N 410.224 0.786 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 559802746 BQBXOBWNYMXGTH-AWEZNQCLSA-N 424.448 0.912 30 20 HCED COc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1NC(N)=O 562163781 MSXGYISKMZZHFM-UHFFFAOYSA-N 403.420 0.974 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cncc(C#N)c2=O)CC1 564759681 DGFSFCHRLRZMII-UHFFFAOYSA-N 408.462 0.460 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOC2(CCOCC2)CC1 584344110 IWOFGWQQTSTTAJ-UHFFFAOYSA-N 424.461 1.184 30 20 HCED CCOc1ccc(CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 588125637 HJBKTAPQXWQMHI-UHFFFAOYSA-N 413.522 0.834 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OCC)c1=O 603792370 AXIVVQIXOWPFEL-UHFFFAOYSA-N 413.499 0.760 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 608991017 CBCZYGWDLYCTLP-MRXNPFEDSA-N 406.512 0.645 30 20 HCED N#Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 610004398 HZIMCTAETOBJMT-IBGZPJMESA-N 424.505 0.747 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1F 610080822 QYNVRJQLYCPGPD-GFCCVEGCSA-N 403.457 0.011 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 610556985 HNHUNBZCFZWGRA-KRWDZBQOSA-N 420.491 0.909 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O 611564620 KRWLXTCWXWOTNX-IAGOWNOFSA-N 424.461 0.732 30 20 HCED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 642188601 YZHJQZNRJNWJIS-IRXDYDNUSA-N 400.545 0.159 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCOC2)c1=O 679753182 DOIIDXKHNHHAHW-AWEZNQCLSA-N 412.515 0.942 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)cc1 684852361 LZTMZLRICIHRAJ-UHFFFAOYSA-N 404.496 0.712 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 727947063 JQTZBHIXCOIPBO-UHFFFAOYSA-N 413.413 0.036 30 20 HCED C[C@H]1Oc2ccccc2N(CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1=O 732908749 QLBZQBFYYLKEHH-ZIAGYGMSSA-N 419.459 0.156 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)O[C@@H]1CCN(CC(F)(F)F)C1=O 735705618 QCODJKSCQKJUDJ-LLVKDONJSA-N 419.381 0.822 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 740822270 DLYYWVIGKQGLOR-UHFFFAOYSA-N 413.446 0.119 30 20 HCED O=C1C[C@H](Cc2ccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C(=O)N1 747551880 YBJNOFKNJXDKQY-BQOWYSNXSA-N 411.418 0.540 30 20 HCED COc1ncc(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c(N)n1 752909095 JRQXHUZNFNILJB-UHFFFAOYSA-N 415.435 0.789 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 758066688 BNORSYYKHWCHPB-UHFFFAOYSA-N 410.455 0.726 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(C)c2)c1=O 758072498 UWXGPKQPGWWTKT-UHFFFAOYSA-N 409.536 0.930 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 761107984 KMBZVJKAUMRSSG-LLVKDONJSA-N 402.304 0.946 30 20 HCED CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)C1 761119344 NLCQRNYLEXUPAC-MRXNPFEDSA-N 403.458 0.905 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)NCc1ccco1 764586407 NPFTYBXBGZVKMP-ZDUSSCGKSA-N 404.448 0.593 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)ccc2c1=O 766022593 GEPQJDIBJNOVMS-GFCCVEGCSA-N 402.476 0.536 30 20 HCED 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413.474 0.870 30 20 HCED Cc1ccoc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835676805 BCXUVVBWZXWKQL-OAQYLSRUSA-N 418.494 0.940 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1835686414 AHUDABLSXVWUOK-OXJNMPFZSA-N 401.467 0.642 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836198881 GWNJHVDWDDRNEQ-LAUBAEHRSA-N 420.510 0.221 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C1 1836483394 ARNHDCJHMJOOMS-SUMWQHHRSA-N 418.441 0.101 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1837404739 BUYBSMRRGXFICO-MWWGGHNWSA-N 410.467 0.047 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837496159 FUSUYEPPIDZVKC-QFIPXVFZSA-N 402.491 0.555 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525256 LEBGYKSZTSAHPJ-ZQUFOJLJSA-N 422.482 0.522 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838510499 YYGKERUAMZMOGC-LBPRGKRZSA-N 421.523 0.506 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1838645655 OYEWARIJMHIRFS-LJQANCHMSA-N 407.492 0.776 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839711507 XHMAQODMQJENTF-PXNSSMCTSA-N 403.483 0.489 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840174238 QERKOSCUQLMNJH-OAHLLOKOSA-N 403.361 0.470 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840369198 FQBUOGPYZMEXJA-OXJNMPFZSA-N 422.482 0.783 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1840844613 FNSVSSLSJVLSJS-QFIPXVFZSA-N 410.474 0.906 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840856028 BWRJFVCKBRTAFU-LAUBAEHRSA-N 420.510 0.441 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccc[nH]2)C1 1842015883 BGJFPRMLQWFSGV-UHFFFAOYSA-N 416.478 0.847 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C1 1842910983 GXKOECBGJBFYAU-HZPDHXFCSA-N 422.526 0.470 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1842919201 FMYHBEJOIAPIFK-UHFFFAOYSA-N 403.443 0.277 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc3c(n2)OCCO3)C1 1843312145 MDINMKRYOFMDMO-SREVYHEPSA-N 412.446 0.528 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)[C@H]2SC(=N)NC2=O)C1 1843407531 MALWSBBLLSEKOR-YNEHKIRRSA-N 409.512 0.793 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 1843733224 KIEFUMDWSUPSHJ-HNNXBMFYSA-N 410.474 0.732 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1847801309 OSNUWBSNEUDZSI-JQFCIGGWSA-N 405.476 0.339 30 20 HCED C=C(C)CNC(=S)N(CCCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 11038437 JJYRMLCPWUPNFH-UHFFFAOYSA-N 403.508 0.807 30 20 HCED CC(C)CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 16635005 NBMDAZXRMMGRRK-UHFFFAOYSA-N 407.496 0.346 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)cc1 24677789 HKHGPGCYVMHPQX-HNNXBMFYSA-N 415.537 0.695 30 20 HCED N#Cc1c(F)cccc1N1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1 29858690 AESYYFTWAORPLQ-UHFFFAOYSA-N 412.425 0.469 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(C#N)c(C)n2)c(=O)[nH]c1=O 31876497 YYPRRHLENOZFRR-UHFFFAOYSA-N 400.439 0.787 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C(C)(C)C)nn2C)c1=O 53576983 HFVTWYCKVXFLHE-UHFFFAOYSA-N 402.455 0.213 30 20 HCED CNS(=O)(=O)c1ccc(C)c(NC(=O)N(CCC#N)CCN2CCOCC2)c1 428908798 SGPIOXCBAQUJDJ-UHFFFAOYSA-N 409.512 0.983 30 20 HCED CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 437117715 UMIRDZUCKNVWEI-CVEARBPZSA-N 410.434 0.985 30 20 HCED C=C[C@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 437728038 YWDIPULZTCZEGR-SOLBZPMBSA-N 403.545 0.713 30 20 HCED Cc1nc(=NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)n(-c2ccc(C#N)cc2)[nH]1 443417156 OXZJIQQSLWTSKP-UHFFFAOYSA-N 423.414 0.200 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 443684942 BJZSLAYZEHYPMC-UHFFFAOYSA-N 416.406 0.496 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)cn1 460690767 PBQVLRSTUBNQNY-HNNXBMFYSA-N 402.418 0.868 30 20 HCED Cc1cc(NC(=O)CSCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)no1 465180537 AIZYIBATGKUOFF-LBPRGKRZSA-N 415.479 1.054 30 20 HCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)ccc21 471671879 QTEFNQJOUACPEA-UHFFFAOYSA-N 421.461 0.586 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C)cn2)c1=O 474327571 CZTWJUHYARYELG-INIZCTEOSA-N 410.499 0.598 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 475563876 WSUGLNYOWKKOGR-CYBMUJFWSA-N 403.913 0.705 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cn1 475605281 RDDXVPCESHPSDC-UHFFFAOYSA-N 404.814 0.748 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)NCC1CC1 481203204 DMZNQRWYQZNZSC-MLGOLLRUSA-N 422.532 0.653 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 508944873 HPTUCUOYWNIQRE-MNOVXSKESA-N 424.449 0.579 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 509000062 UQGWPDRPAMTFNX-UHFFFAOYSA-N 409.233 0.933 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(F)(F)F)[C@H](CO)C3)CC2)o1 511670594 JLWYMUCBFPMSOW-UONOGXRCSA-N 415.416 0.996 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1 512762133 NYEKFQXZZDFNQJ-UHFFFAOYSA-N 405.483 0.921 30 20 HCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 521285994 MNEBSHOEEMPVEG-UHFFFAOYSA-N 407.430 0.956 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 522895785 KUKDKCBWQZNYLL-INIZCTEOSA-N 424.548 0.949 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1Cc1ccon1 531683795 QUQXASQHRGIIOY-UHFFFAOYSA-N 421.438 0.075 30 20 HCED N#CC1(NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCSCC1 535960292 QSSVYIKFYGMKIP-UHFFFAOYSA-N 413.481 0.950 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 540757569 YXXKPMSPXJBXLB-UHFFFAOYSA-N 424.508 0.009 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 546708038 SCZCYLPFUZLZCI-CQSZACIVSA-N 424.479 0.110 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 563467813 HPNDFDMTISEGIK-KRWDZBQOSA-N 423.477 0.566 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)C2)nc1 574590435 RLHCRDYIOWZNSW-CYBMUJFWSA-N 423.404 0.997 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC3(CCO3)CC2)CC1 578908100 RLFWNDQLCDJLSN-UHFFFAOYSA-N 418.519 0.646 30 20 HCED CCN1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CC1=O 609214060 OWUHTOVXRPGPDQ-MOPGFXCFSA-N 405.543 0.394 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(F)c(C)c3)c2=O)cn1 609220970 ZGHRADNKOLQFJY-UHFFFAOYSA-N 411.462 0.812 30 20 HCED CC(C)[C@@H](C#N)N1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 609486903 UCGHKZJWPGQJBF-QFBILLFUSA-N 421.567 0.547 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 678683657 JNQFQRJZGYYACX-ROUUACIJSA-N 400.479 0.599 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H](O)C2CC2)CC1 730878864 OHXREMFNLAFVLP-MRXNPFEDSA-N 400.391 0.769 30 20 HCED CC(C)N(C)S(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733857124 LNZNSYBZDIUIPC-CQSZACIVSA-N 407.452 0.464 30 20 HCED Cc1nc(=NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)n(-c2ccc(C#N)cc2)[nH]1 740689200 YKYWZGKNAJIKBW-SFHVURJKSA-N 414.429 0.928 30 20 HCED CCN(CCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743994795 IDYFMFFOZMGCCM-SILNSSARSA-N 410.496 0.669 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)ccc1Br 746372560 RUNZSXAWVOCQOP-UHFFFAOYSA-N 403.261 0.493 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1 754939793 XCLSLOGXAZJDLT-OAHLLOKOSA-N 412.450 0.907 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758085320 WGPALXXCIBREJC-UHFFFAOYSA-N 421.400 0.226 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1 758301482 RARLDNXRHIMPEE-DZGCQCFKSA-N 423.495 0.892 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)C1 758365226 TZYSDZAABGGIJF-ZFWWWQNUSA-N 423.495 0.892 30 20 HCED 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CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1 784679937 NEQXQCXVDDYEDT-SFHVURJKSA-N 409.464 0.765 30 20 HCED Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 787555725 CCBSGYJKLWGWOE-UHFFFAOYSA-N 424.465 0.731 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)c1 787638821 QZOBZNJCBAWNTI-CYBMUJFWSA-N 409.464 0.719 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)n1 789793316 IEZGIDAURYOHMJ-UHFFFAOYSA-N 421.461 0.770 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 796565450 ARFNDODSINSLKD-PBHICJAKSA-N 401.529 0.872 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 800045569 OUNQTCKDIYGIAS-HNNXBMFYSA-N 403.549 0.807 30 20 HCED COc1ccc(N2CCN(CCCNC(=O)NCCn3cnc(C#N)n3)CC2)cc1 805824677 WJXWTVUYGSKXSF-UHFFFAOYSA-N 412.498 0.670 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)n1 806692503 ZVHKMFGHNRIHNO-QGZVFWFLSA-N 404.467 0.293 30 20 HCED 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C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)NC(=O)C=C)CC2)C1 1804855881 DKGLVUDQNCNVGD-ZPUOCTKUSA-N 416.522 0.767 30 20 HCED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@H](O)N3CCOCC3)CC2)C1 1806015161 SLUMZVXEJXNLMT-NRFANRHFSA-N 423.554 0.851 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)CC[C@@H](N)C(N)=O)C2)CC1 1809826362 NIAKBFQRSYUXIQ-JKSUJKDBSA-N 409.531 0.611 30 20 HCED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1812530052 PMTPELGALMPDSW-USXIJHARSA-N 402.451 0.564 30 20 HCED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2ccncc2=O)[nH]n1 1815202436 XRRVMDFWBLPMTB-GOEBONIOSA-N 412.450 0.697 30 20 HCED COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1 1821608870 KHROGFOODZPJNF-SNVBAGLBSA-N 402.436 0.925 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667829 XNOIVZOCNQMFPR-WDEREUQCSA-N 406.464 0.448 30 20 HCED CN(C)CC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829629992 MDVOSUSBSFBKRZ-QFIPXVFZSA-N 414.506 0.509 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)NC1)CCO2 1829945440 XTSNLRJBCXMNSM-GCJKJVERSA-N 419.522 0.737 30 20 HCED COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1 1830060449 VONJOUNFYGNKIQ-FQEVSTJZSA-N 404.467 0.781 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1830061794 YERJHIWCNBBTKU-FQEVSTJZSA-N 417.466 0.285 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1831221084 CCAAICJXQULNBJ-NZQKXSOJSA-N 412.486 0.460 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1831419660 QCDXSMOQVUGYNJ-QRWLVFNGSA-N 406.435 0.510 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1831425355 TYWUIUYWZVMWPT-KUHUBIRLSA-N 408.455 0.226 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3C)C2)C1 1831437642 FMOONIOUEWCIAU-FVJLSDCUSA-N 420.510 0.800 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1831497728 HBLMRDWCJNLMBP-UYAOXDASSA-N 423.535 0.741 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)C)on3)CCO2)C1 1834491691 GWVOCZCGAIMVCG-HRAATJIYSA-N 419.478 0.906 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)Cn4cccn4)CC3)CC2)c1 1834883602 SLVCGRDDMNZXAP-UHFFFAOYSA-N 409.494 0.968 30 20 HCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1835844820 FHYZBNFRUISKTF-GUYCJALGSA-N 414.572 0.027 30 20 HCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)CNC(N)=O)CC3)CC2)c1 1836261060 KMILARZLNIWMQN-UHFFFAOYSA-N 412.494 0.412 30 20 HCED Cn1cncc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561118 AQUFUHXXTHUDBF-JFOGYLRVSA-N 415.450 0.202 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)CC1 1837841386 FMOFKCXXIJPWCX-QAPCUYQASA-N 408.543 0.790 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)n[nH]1 1838659605 PCWZKMYWXKMVOS-FQEVSTJZSA-N 418.498 0.070 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(OC)n(C)n4)CCO3)C2)C1 1838831738 BWATUIYCIAWVLM-FQEVSTJZSA-N 404.467 0.465 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1839063792 XCWBVNHGMFGFFN-YLJYHZDGSA-N 411.568 0.704 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1839223646 BWJUMKQMKKEJQQ-BEFAXECRSA-N 405.455 0.348 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1839889827 RQERONTYPZBPME-LPHOPBHVSA-N 415.481 0.996 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1)C(F)(F)F 1839890975 FCXJHIVOZHQZMJ-RHSMWYFYSA-N 418.368 0.888 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840592276 BMRPVQQKFDLADA-LPHOPBHVSA-N 400.541 0.702 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)CCC1 1840813428 ZEKQFBJJOPGILO-HXUWFJFHSA-N 400.435 0.084 30 20 HCED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn1 1840815883 KZULVNYKVAUSFR-FQEVSTJZSA-N 401.467 0.113 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840875892 YIUNZIGCKRHPLL-KMYGJPJSSA-N 419.478 0.582 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1841748426 WDTZMVGQTNDTCA-OAHLLOKOSA-N 408.499 0.795 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CCS(C)(=O)=O)C3)c1 1844727496 YABGAULSQPCNQN-UHFFFAOYSA-N 405.476 0.819 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C2 1845960834 SDGRYYYWAMNCCJ-HNNXBMFYSA-N 401.467 0.682 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1846367738 NDXHOROGLNUWTF-RDBSUJKOSA-N 413.540 0.878 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847511286 CKTJMFGNGJIHBD-SOUVJXGZSA-N 413.540 0.993 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)c1 1848214145 XXWCCSUWYHELNR-DQYPLSBCSA-N 422.445 0.708 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCOCC2)cc1 140937129 KLEKACIPJVTUQP-UHFFFAOYSA-N 400.479 0.888 30 20 HCED CCOC(=O)[C@@H](Cc1ccccc1Cl)NS(=O)(=O)N1CCO[C@@H](C#N)C1 409511513 PUGJRWOZNSKRNS-DZGCQCFKSA-N 401.872 0.873 30 20 HCED CCCCn1c(N)c(N(C(=O)CN2CCO[C@H](C#N)C2)C2CCCC2)c(O)nc1=O 436122078 AIXDTVCCKALDPL-OAHLLOKOSA-N 418.498 0.831 30 20 HCED C[C@@H](C#N)CN(C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 437416816 FVIAKAXBFKLHAT-YOEHRIQHSA-N 400.435 0.257 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 438310666 CPZXWQDCTZDHKX-UHFFFAOYSA-N 402.480 1.476 30 20 HCED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCCOCC(N)=O)cc1 441899687 WZVRBUNDZCAPMZ-UHFFFAOYSA-N 412.402 0.916 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCOC1 441932060 YKADPTSCELSDFI-MRXNPFEDSA-N 413.499 0.212 30 20 HCED CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446528352 VFYIZLTVHYEHAC-UHFFFAOYSA-N 405.430 0.797 30 20 HCED N#C[C@H]1N(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCC[C@@]12CCCCO2 468669184 RCWBTRGPOHEHRT-DYVFJYSZSA-N 410.452 0.111 30 20 HCED C=CCn1c(O)nnc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 470829071 AGRFGGKXXZMBIH-OLZOCXBDSA-N 416.525 0.457 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)C2)n1 471765337 CVQQWJKCPRCNDX-QYWGDWMGSA-N 410.478 0.973 30 20 HCED COC(=O)CCc1nnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 482206206 DVYBMDYOUQRELT-JTQLQIEISA-N 423.476 0.821 30 20 HCED CN(CC(=O)NCc1nnc2n1CCCCC2)S(=O)(=O)c1ccc(C#N)cc1 497715826 ZWRQEVWEOIMFSA-UHFFFAOYSA-N 402.480 0.813 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 508511950 WCSBXEZLJOAWHB-HNNXBMFYSA-N 405.480 0.486 30 20 HCED C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 508681720 XJQOBMVQZURJKJ-WMLDXEAASA-N 419.507 0.729 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 508894622 LOPUBUIKQNMEPN-AWEZNQCLSA-N 416.511 0.668 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)n1 510500011 HZZQVHBIFRPMGK-CQSZACIVSA-N 423.355 0.931 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 511409770 FQPSHGCTDDVUMH-UHFFFAOYSA-N 401.202 0.799 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1oc(=O)n2C 511700667 ODSXGSQDEVXCPY-GFCCVEGCSA-N 421.417 0.469 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC#N)CC2)cc1 519815920 PCUUVPSARNORRF-UHFFFAOYSA-N 406.508 0.967 30 20 HCED C=CCN(CC=C)C(=O)COc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 523871998 RXYDQKZKNLJLGL-UHFFFAOYSA-N 421.519 0.983 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 524403397 CXEVTNXMCQAYND-MRXNPFEDSA-N 420.516 0.733 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC(=O)NC2CC2)cc1 537010807 IATKEZXUNQWRPD-UHFFFAOYSA-N 422.507 0.607 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 546710853 DGSNSTXUPXRBOB-UHFFFAOYSA-N 408.480 0.826 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1C#N 546877546 LUXFSQODULDPIR-CYBMUJFWSA-N 415.855 0.280 30 20 HCED CC(=O)NCCN(C(=O)C(=O)Nc1nn(C(C)C)cc1C#N)C1CCSCC1 549788397 HXDKBVSCDKPGOX-UHFFFAOYSA-N 406.512 1.134 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)CC1 551009093 PEODNCIGMFUZEF-IBGZPJMESA-N 421.586 0.306 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3cccc(-n4cncn4)c3)CC2)n1 554244156 UAYWNOSVAIVASP-UHFFFAOYSA-N 416.445 0.499 30 20 HCED CN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCN(S(C)(=O)=O)C1 556316145 NTFWVADNBFJQLM-NSHDSACASA-N 416.406 0.590 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 557733156 OJKVJIFJPPBUSZ-SFHVURJKSA-N 419.570 0.298 30 20 HCED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CCC(CC#N)CC3)n2)c1C 562455496 KHMBQOZLYCUXNL-UHFFFAOYSA-N 411.466 1.438 30 20 HCED Cc1onc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 564106610 SPKKLKGJSHLRPW-UHFFFAOYSA-N 417.447 0.635 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 564113082 OQAKGOBLTYDRFA-UHFFFAOYSA-N 415.537 0.332 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)c1 565503254 PMLZZWUBNKUCRS-ZDUSSCGKSA-N 408.505 0.986 30 20 HCED CCN(CCNS(=O)(=O)c1cncc(C#N)c1)S(=O)(=O)c1cncc(C#N)c1 567652402 BEKGRHIVYYMFMZ-UHFFFAOYSA-N 420.476 0.209 30 20 HCED N#Cc1c2c(cn(CC(=O)NCc3ccc(C(=O)N4CCOCC4)cc3)c1=O)CCC2 572088483 KDAIYMOCTYPYPP-UHFFFAOYSA-N 420.469 0.997 30 20 HCED CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588258439 HAUKULAGEWRAPE-RTBURBONSA-N 411.506 0.766 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)CC2 589407303 QYJHZYVSAJPIAG-IAGOWNOFSA-N 424.461 0.856 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)no1 608889308 CQNAQEHHUZOXOL-UHFFFAOYSA-N 410.434 0.367 30 20 HCED C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[S@@]1=O 610071511 MOQOBMZQVHAVQK-PTFIGZPYSA-N 409.533 0.938 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 610776399 NWMYJYJHJANQDB-ZBFHGGJFSA-N 424.465 0.400 30 20 HCED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 611176214 WDHRIGPCNIYTQP-UHFFFAOYSA-N 405.524 0.051 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 615609315 TTXAXADTUOUTJT-GOSISDBHSA-N 408.455 0.617 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 725796174 QWMXMDWYTTVPQP-TZMCWYRMSA-N 403.464 0.525 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1=O 726042381 BJDFOLFOPMDGCE-UHFFFAOYSA-N 404.335 0.362 30 20 HCED NS(=O)(=O)c1ccc(C/N=C2\S[C@@H](CC(=O)NC3CC3)C(=O)N2C2CC2)cc1 726404411 XJRIGKIVZFYSCL-ZJYNUGOYSA-N 422.532 0.965 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC2CCC3(CC2)OCCO3)cc1 727010423 YOVTVWKVQXRCLK-UHFFFAOYSA-N 401.419 0.633 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 728570577 FSSRDNFBZCARHB-QGZVFWFLSA-N 420.941 0.933 30 20 HCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 728572468 FXVRPQVYCPSAEJ-UHFFFAOYSA-N 411.506 0.274 30 20 HCED COCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn(C)c2)c1=O 732795696 TVISLOBHQZKBKN-UHFFFAOYSA-N 423.498 0.456 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)C2CC2)c1 734228598 HZJXBZYLETWHMB-JJTVEENBSA-N 408.480 0.325 30 20 HCED COC(=O)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccc(O)cc1 742251359 SSIGSRIQLSCEQS-IWHJNQCMSA-N 401.419 0.757 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1 743737555 NBGVZNZCTBIUSO-UHFFFAOYSA-N 418.479 0.170 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744031637 AFYCYFIYWNIINO-HJUANSTKSA-N 411.414 0.895 30 20 HCED C#CCOc1ccc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1 744099563 FSJHJEFBYJLXHD-UHFFFAOYSA-N 424.457 0.407 30 20 HCED C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccccc1C#N 745444421 ROSZFOKQFULKBK-SZVHDIOQSA-N 411.414 0.979 30 20 HCED Cc1cc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cnn(CC#N)c2)c(C)s1 746446526 KHVRFNIRSDXLKR-UHFFFAOYSA-N 410.481 0.118 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(=O)N(CCOC)C2)c1 749505598 WWADHKPKCYWURY-SFHVURJKSA-N 413.474 0.355 30 20 HCED C#CCNC(=O)[C@H](C)On1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc21 749780820 YQPLOKPPRPVUBI-ZNMIVQPWSA-N 419.507 0.664 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)CC1 761023719 KFJFKMJQJYADEW-SJORKVTESA-N 406.552 0.900 30 20 HCED CN(C(=O)COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C1(C#N)CCCCC1 762392296 IPTSDWOHWXHZIF-UHFFFAOYSA-N 406.464 0.712 30 20 HCED C#CCOc1ccccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 763050809 VOROOUAVAXQQOS-CQSZACIVSA-N 415.471 0.781 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)nc1 763368681 JJLCEJBZDBMPEF-UHFFFAOYSA-N 401.390 0.572 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccn(C)c2)c1=O 763460517 JAHFUYOMEGZYSY-UHFFFAOYSA-N 402.520 0.560 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c1 764034374 RRTQQLIGGQAEKU-UHFFFAOYSA-N 406.420 0.607 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cc[nH]n1 770813693 LQEVWDRWDMOSSD-UHFFFAOYSA-N 423.451 0.583 30 20 HCED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 774234599 APTJJHFHVDGNPY-UHFFFAOYSA-N 408.436 0.540 30 20 HCED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)[C@H]1CCCO1 775342242 UYJCIVYGSNQKBA-RBUKOAKNSA-N 424.519 0.881 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)c1 777851690 VLBBABZENMGLTB-UHFFFAOYSA-N 417.443 0.701 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)c1 778964320 ODPWIXIIDPHMHN-GZWQCKSXSA-N 422.507 0.858 30 20 HCED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cn2)c2ccccc2O1 782129647 NCSWCFKAEDQLQS-SFHVURJKSA-N 407.430 0.890 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C1=S=C(NC(=O)c2ccc(OC)cc2)C=C1 783547308 XAPRGYYFWSMKPC-UHFFFAOYSA-N 408.501 0.747 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC2(C#N)CCC2)cc1 784186086 IAUJDSTUUFEBDH-UHFFFAOYSA-N 422.463 0.419 30 20 HCED C[C@H]1CCCCN1C(=O)CN1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 784565356 HQXPFDXTWJLQNA-HNNXBMFYSA-N 405.524 0.729 30 20 HCED C[C@H](OC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)NC1(C#N)CCC1 786995831 JTQBWCOFLPOBHY-JKSUJKDBSA-N 406.483 0.194 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 787263985 XRRQAXLHCDXIHL-CQSZACIVSA-N 401.492 0.704 30 20 HCED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787777307 LKHXOCSYPFWGCV-UKRRQHHQSA-N 402.455 0.464 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 788295700 DDGNFZLQJONIIM-INIZCTEOSA-N 422.526 0.995 30 20 HCED C#CCn1ccc(CN(CC)C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)n1 788652977 OMBVWIKZLGBWIR-UHFFFAOYSA-N 405.480 0.777 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CC(=O)c1cnn(C)c1)c1cc[nH]n1 789995136 WFVPGZIYEGXFKH-CQSZACIVSA-N 416.438 0.691 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccn(-c3ccccc3)n2)n1 793653320 DUOVQDQMUCIXFO-UHFFFAOYSA-N 420.473 0.993 30 20 HCED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCn2cnc(C#N)n2)c1 795184714 QYLUBLMSIGFHPN-HNNXBMFYSA-N 407.459 0.899 30 20 HCED C#CCC[C@@H](O)CNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 799225510 JCUPGQHCTYYGEY-OAHLLOKOSA-N 401.423 0.463 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O 799267073 BOZKDRBNNCBJDO-CYBMUJFWSA-N 415.418 0.867 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 800781685 BEQXCDYUYNTVRN-OLZOCXBDSA-N 400.505 0.789 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c(F)c1 802558787 VBZIQULAHHCNDK-CQSZACIVSA-N 401.373 0.848 30 20 HCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813982464 KDHBJIGZSHRTCP-CQSZACIVSA-N 400.482 0.352 30 20 HCED Cn1c(S)nnc1CCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 818237713 SNRFBUIRJDZFOV-UHFFFAOYSA-N 408.509 0.281 30 20 HCED C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)N(C)CCC#N 914943216 PWSWDBJJDVRUSR-CQSZACIVSA-N 408.480 0.786 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCOC 916200758 PCHOSORVFXXFMH-UHFFFAOYSA-N 405.476 0.195 30 20 HCED CCO[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917305174 QBYZCAFNJQSMPN-HOTGVXAUSA-N 421.475 0.359 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cc(Br)c(O)nc2=O)c1 918328933 IEOKWPKGOSQSRZ-UHFFFAOYSA-N 419.235 0.790 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)c1 918344193 ZRLGNZXLCXJGDN-UHFFFAOYSA-N 415.471 0.961 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 1122498978 DFSZNDGHUZGBHJ-CQSZACIVSA-N 421.413 0.910 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1 1298036048 IGXGUIUOWSGDMK-AWEZNQCLSA-N 414.434 0.599 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C#N 1315073019 WBARJMRDPDOCFZ-CQSZACIVSA-N 417.495 0.874 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1CN1CCCC1=O)c1cc[nH]n1 1352347332 BIGNRFUKUFRJMR-CQSZACIVSA-N 405.455 0.697 30 20 HCED C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1541989499 NCLDZKDZWOPPBX-MSOLQXFVSA-N 404.496 0.953 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1554421050 NXCXDWUQUJPNKR-XMSQKQJNSA-N 423.521 0.846 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1555807297 TWZKEUMPDYHFHS-HNNXBMFYSA-N 415.479 0.075 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1Br 1561385927 JMJJAUCFCAJPIL-MRVPVSSYSA-N 412.262 0.511 30 20 HCED C[C@@H]1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1612693642 ZHAUMABTONVUKT-WCVJEAGWSA-N 409.512 0.724 30 20 HCED Cc1nc(Cl)nn1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1641371427 JOOQJFMBJJELKT-UHFFFAOYSA-N 408.871 0.645 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NS(=O)(=O)c1ccc(Br)c(C#N)c1 1664373213 LKOXNQZVJTXPIV-VXGBXAGGSA-N 409.283 0.411 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@@H](C)C1 1690329441 XFGSAIJPYVANMK-KBPBESRZSA-N 420.967 0.798 30 20 HCED CCOC1CC(O)(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1710604654 KAQFLOVYMPMZNU-KZGGZSBBSA-N 411.528 0.706 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCOCC1 1712454909 MMEUMRVOPIGAPR-MRXNPFEDSA-N 402.503 0.766 30 20 HCED Cn1cnnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1729592428 RYQBVUNOWZIKGY-NSHDSACASA-N 418.259 0.941 30 20 HCED C=C(Cl)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760380964 UOYPFIZIUYZROE-MRXNPFEDSA-N 419.935 0.764 30 20 HCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1768451464 OSGBPRHILHKQAB-QGZVFWFLSA-N 409.450 0.936 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778476715 VCDTXHNSIGLBBN-KKSFZXQISA-N 413.478 0.746 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1778967579 LOGGNXOPXWIZGV-YCRPNKLZSA-N 416.478 0.197 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1778968222 QEZYBKOOPZDRCD-UZLBHIALSA-N 404.467 0.629 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779220914 LCYFQZXANZJUCO-ZXEFNUMUSA-N 414.466 0.456 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)NC(=O)OCC)CCO2)C1 1779240986 QCXLRJYTBJAGNA-YWZLYKJASA-N 411.499 0.873 30 20 HCED C[C@@H](Cn1cncn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1779497278 BTCXBBFEXUHLQP-RZQQEMMASA-N 400.483 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Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1839452234 PQPMKVXTEKPMTM-OAQYLSRUSA-N 424.461 0.228 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)CCO2 1839788061 CFJYYRFHHRYXHJ-LJQANCHMSA-N 420.397 0.646 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840388732 IDXMFFXKRMDHIY-BEFAXECRSA-N 410.540 0.746 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1840841567 IIFJCZRWNIWJPJ-DYESRHJHSA-N 401.463 0.731 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1841054422 YJJWLMWCGKWVSV-HJWRWDBZSA-N 423.473 0.642 30 20 HCED O=C(C/N=C/c1ccco1)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843414078 YQJKFYGRLLHLBU-RGVLZGJSSA-N 422.507 0.328 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)c1 1844296645 RDALCVHUYCMSKA-IBGZPJMESA-N 414.462 0.034 30 20 HCED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301426 NCYBEPKXMTWKKD-XYHOIZSOSA-N 411.528 0.203 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1844656534 BUWIZLDWYGMDFO-CQSZACIVSA-N 414.466 0.949 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)ON=C(C)C)C1 1845251822 QCHPLZASSQDVLJ-KGLIPLIRSA-N 402.517 0.319 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)nc2cccnn12 1847826760 PMESOFDXVXMYSW-GDZNZVCISA-N 401.492 0.859 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(N)=O 1847939427 GCYZYOSEWVADSA-KKUMJFAQSA-N 408.499 0.923 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)c2cc(Cl)ccc2NS(C)(=O)=O)CC1 64486960 QOPNOBSKKINGTB-UHFFFAOYSA-N 414.915 0.772 30 20 HCED COc1ccc(NC(=O)CN(C)C[C@@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 143261161 LRHAJFSXZOXJPW-AWEZNQCLSA-N 410.496 0.746 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409528586 IINWSRPGRKUBMO-QGZVFWFLSA-N 421.523 0.329 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 426709136 BAGDIBSZVZRXEP-CQSZACIVSA-N 414.441 1.389 30 20 HCED N#Cc1ccc(O[C@H]2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)nc1 428793012 YGTYEQVPJFTBDW-HNNXBMFYSA-N 401.448 0.692 30 20 HCED C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434605900 JXIYRMVBTYXOFJ-TZMCWYRMSA-N 411.480 0.782 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 434759718 OXXPEQBWSAWBIY-UHFFFAOYSA-N 424.461 0.585 30 20 HCED COCC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 440095443 DGVCXKOTJODRBE-MRXNPFEDSA-N 402.451 0.722 30 20 HCED C[C@@H](CO[C@@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 441419016 SJZKNAIGACIYCV-DOTOQJQBSA-N 422.507 0.768 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 441604608 OCAMWZVDFWDXCX-SFHVURJKSA-N 421.457 0.524 30 20 HCED C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1CC(C)(C)O 444554165 QKDXQHXNNPIVQY-LSDHHAIUSA-N 408.524 0.529 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccn(CCOC)n1)[C@@H](C)c1cccc(-n2cnnn2)c1 444574515 WBBREYNZUANQTC-HNNXBMFYSA-N 424.465 1.220 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 444587332 WNCXXGZKYNZYGO-GOSISDBHSA-N 410.478 1.095 30 20 HCED Cc1ccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1S(=O)(=O)NCC#N 465370958 IPHJCXHYXRAARS-UHFFFAOYSA-N 401.448 0.089 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473696124 OHVJAJXUSMWOHB-SFHVURJKSA-N 418.519 0.837 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1 474211155 AMUYOVYOZQMKSI-DLBZAZTESA-N 421.461 0.603 30 20 HCED CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 482154622 GDKMXKTTZVPSOC-APWZRJJASA-N 421.567 0.613 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)C2=O)cc1 486020801 SCQWAGFNQSMPNB-FGTMMUONSA-N 408.458 0.951 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2C)CC1 491084211 QASSGVPMFWIMCJ-UHFFFAOYSA-N 401.511 0.442 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCc3ccccn3)C2=O)cc1 501690135 RMLUESCQAMZAEA-IBGZPJMESA-N 405.458 0.919 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccccc1Cn1cncn1 511317624 YVZXYAYNBCBCIP-UHFFFAOYSA-N 404.496 0.563 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 513625032 NSQBAKZNAAIXSI-UHFFFAOYSA-N 414.553 0.977 30 20 HCED N#Cc1ccc([C@@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(N)=O)cc1 523735335 GXCGZDWGHMOTSB-LJQANCHMSA-N 414.487 0.895 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 531706857 CDZWUERBHJCJIV-DUVNUKRYSA-N 413.521 0.697 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)n(CCC#N)n1 533457747 SERWZFJMFDNMCH-CYBMUJFWSA-N 415.406 0.329 30 20 HCED CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCOC[C@H]3C#N)ccc21 534275884 KNPIXOYQPMLMHH-CYBMUJFWSA-N 400.439 0.707 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCC(F)(F)F)C[C@H](O)CO 538254732 MYJWPTPLTZIOSO-YPMHNXCESA-N 423.413 0.359 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 540268444 XRJIAQVHQPVMQV-UHFFFAOYSA-N 403.487 0.287 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H](C)N1CCOCC1 553277127 AKWPBMTUZAZGOP-NLWGTHIKSA-N 413.522 0.448 30 20 HCED N#Cc1ncn(CCNC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 558140560 UVTCECDRTVWDCL-LBPRGKRZSA-N 409.497 0.221 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 559605088 FHZMYUWBWHDZIB-MSOLQXFVSA-N 416.526 0.202 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 561979373 CSOQAJUXPZEWMP-OAHLLOKOSA-N 404.467 0.075 30 20 HCED COc1cc(CNS(=O)(=O)c2cnc3c(c2)c(O)nc(=O)n3C)ccc1C#N 562068810 NIQBQOXMUJUXOW-UHFFFAOYSA-N 401.404 0.393 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2)C1=O 565911413 HHTKFENYUPGKJC-DOTOQJQBSA-N 400.479 0.635 30 20 HCED CCNC(=O)COc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 572388346 YFAJJOPZFXITQC-UHFFFAOYSA-N 416.459 0.990 30 20 HCED C[C@@H](O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 574776311 SMWUHUXHHNTVMV-SJLPKXTDSA-N 420.535 0.484 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 578950302 LRRJRETUDBJHRW-IAGOWNOFSA-N 419.507 0.382 30 20 HCED N#CCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 588077380 XWOGIJUQNBVHLJ-INIZCTEOSA-N 418.450 0.471 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 609341978 HPQCBPHMNGIACZ-UHFFFAOYSA-N 419.507 0.514 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)NS(C)(=O)=O 610377747 ZEJKPEJQXHJQSW-UHFFFAOYSA-N 406.386 0.960 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](C(=O)OC(C)(C)C)C3)CC2)o1 610448480 IEBFDLMJIPWNSX-MRXNPFEDSA-N 419.482 0.546 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N=c1ccn(-c2ncccc2F)[nH]1 615050337 FMFJQAOGFFKKGS-UHFFFAOYSA-N 411.401 0.035 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)C1CC1 725955743 STTOYUJDOBNJCR-GQIGUUNPSA-N 403.410 0.753 30 20 HCED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1-c1ccccc1F 732910445 PSSVTNWBAZUVKR-ZDUSSCGKSA-N 404.423 0.899 30 20 HCED C#CCNC(=O)c1ccc(NCc2cccc(S(=O)(=O)NCCOC)c2)nc1 735489478 CIRKKNWYNMONCI-UHFFFAOYSA-N 402.476 0.981 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745358473 ZZZLXSMHVCTTDE-CYBMUJFWSA-N 400.501 0.672 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)CCO)cc2)c1 747572604 FDITUEOAVIFBEC-UHFFFAOYSA-N 402.428 0.797 30 20 HCED COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 749643735 JMCDTENARUKMLV-SFHVURJKSA-N 420.429 0.995 30 20 HCED CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749778296 RDJAIQNSOPQUSO-HGNXGAGXSA-N 422.507 0.933 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)[C@H](C#N)C1 755533661 CMUBLBFEUPIDEY-VXGBXAGGSA-N 405.459 0.847 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 755554269 SZGGTTBCEAYWRS-KBPBESRZSA-N 420.470 0.733 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CSCC(=O)N2CCOCC2)C1 756896072 YUTFBGLXYFSUNS-KGLIPLIRSA-N 412.512 0.454 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)OC[C@H]2C1 764129878 WNJLGZXYLRYFPE-HIFRSBDPSA-N 420.491 0.803 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1C#N 765905497 QQFWAHKGPONTSS-GFCCVEGCSA-N 417.422 0.117 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCN(C2CCOCC2)C1=O 767625896 FBHZWYRPLQZXSA-SUMWQHHRSA-N 421.475 0.548 30 20 HCED C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 770798945 BHVBJNZZSHXNSW-MDLHYDQYSA-N 422.507 0.881 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OC2CCN(CC#N)CC2)C1=O 771637851 PLPOLJVRNSYSLE-HXUWFJFHSA-N 400.435 0.993 30 20 HCED C=CCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Cl 771893320 YZURWUKOCUMALI-UHFFFAOYSA-N 412.855 0.615 30 20 HCED CN1/C(=C/C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 771896615 DOKVIUWQMSDYHN-NULHBRPVSA-N 417.491 0.660 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O)c1cc[nH]n1 772429873 CVDXLNSEMRPOEO-DZGCQCFKSA-N 406.439 0.680 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 777350369 LEOFBTZJMSZGGS-LBPRGKRZSA-N 416.500 0.498 30 20 HCED Cc1cc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)ccc1F 780366120 PNKYGCHEURGNQF-ZFWWWQNUSA-N 421.450 0.453 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(C)(CO)CO 780993157 MPVZYWKMVWYOLL-HNNXBMFYSA-N 411.524 0.589 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 788337391 ATYWBZGPHJITRM-UHFFFAOYSA-N 406.446 0.900 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(Br)c1 795195606 OTFRCAGTMUHPFT-UHFFFAOYSA-N 419.260 0.193 30 20 HCED C[C@@H](CC(=O)OCC1(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 799712103 XXGVPNZYACZJNV-NSHDSACASA-N 400.478 0.624 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCC(CN(C)C)CC2)n1 804237936 ZIZKIOCNQFVTBJ-UHFFFAOYSA-N 403.527 0.728 30 20 HCED COC(=O)c1cn(CCNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1 807109574 JQJCJNVIOYHZFN-NEPJUHHUSA-N 407.431 0.123 30 20 HCED CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)C(=O)Nc2cnn(CC#N)c2)s1 807424682 ACTNTRNEVBMNJY-UWVGGRQHSA-N 404.456 0.539 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)C1=O 807655618 FEIKPHARJIKQSB-ZWKOTPCHSA-N 412.490 0.852 30 20 HCED Cc1ncc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 807940390 VJUOMYLANJYONE-UHFFFAOYSA-N 401.496 0.373 30 20 HCED CS(=O)(=O)CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)o2)cc1 808090654 OCUUKZZKFVVNGS-UHFFFAOYSA-N 418.474 0.770 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 810778391 WBCRLRGXOHKRBY-UHFFFAOYSA-N 409.489 0.805 30 20 HCED C#CCN(C)c1cnc(-c2noc(-c3cc(S(=O)(=O)N(C)C)cn3C)n2)cn1 813343534 XCYHYEVRLLAADU-UHFFFAOYSA-N 401.452 0.852 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)c1 813981233 VPPGKXRGIQXMFL-UHFFFAOYSA-N 410.433 0.449 30 20 HCED COCc1ccccc1/C=C(/C)C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814224394 GMNBHKSULZGGSR-YGOMXXSGSA-N 406.464 0.598 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)CC1 815718758 KNHKYKVEZLAAQD-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CC(=O)NCCOC)C1=O 914556725 JGTVUJRWSKJFNQ-AWEZNQCLSA-N 408.480 0.525 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCNc3ccc(C#N)cn3)C2=O)cc1 914859459 NFSXXHOZPZTNQR-NRFANRHFSA-N 422.445 0.957 30 20 HCED COC(=O)C1(C#N)CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1211840569 PWWRRYZWDNVJHO-UHFFFAOYSA-N 416.500 0.563 30 20 HCED COC(=O)[C@@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1298476097 XTNJJGJANZLZQS-MRXNPFEDSA-N 402.432 0.132 30 20 HCED Cc1onc(CC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1C#N 1301192432 WNWAEXIFCGOBLA-UHFFFAOYSA-N 417.491 0.520 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCOCC1 1305793246 XOVHTLYYDIZGRN-WBVHZDCISA-N 419.530 0.646 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1313326861 VRKBDRXSTHFIMD-UHFFFAOYSA-N 420.539 0.989 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cnn4c3OCCC4)CC2=O)cc1 1324320717 AJTVXGCRJHKINI-ZDUSSCGKSA-N 415.431 0.395 30 20 HCED N#C[C@H]1COCCN1C(=O)c1oc(C(=O)N2CCOC[C@H]2C#N)cc1Br 1324932309 COYOKPGBEMCQQM-MNOVXSKESA-N 423.223 0.771 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359142693 MQOHPTNSDNOOHY-JSGCOSHPSA-N 418.951 0.945 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1470360591 IYXHMJCQYZJRPI-BFUOFWGJSA-N 403.439 0.584 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2COCCO2)cc1 1505319999 QLPHPRAMWOHEEU-KRWDZBQOSA-N 417.491 0.713 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1631846149 QYXFRJCMDJKCIN-CYBMUJFWSA-N 406.443 0.692 30 20 HCED CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709837559 IFHYOTUOSSFELP-HNNXBMFYSA-N 402.503 0.119 30 20 HCED COC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)OC 1749334858 BAZWZGKRKAWHIO-GJZGRUSLSA-N 411.528 0.972 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1778787832 ROGKDUGDVGNSKP-UZLBHIALSA-N 416.434 0.066 30 20 HCED 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C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837486291 ZKHUUHPMUAQETD-SUNYJGFJSA-N 409.512 0.052 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489400 FWJGQTNWFYRHST-OAQYLSRUSA-N 403.479 0.445 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560488 XXTGHDHDQSNOEB-YTLJWTSXSA-N 407.467 0.172 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837966503 NSRMOWSAZMSNHM-IBGZPJMESA-N 410.492 0.761 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1838093432 LYBVGDALUVFYSP-UHFFFAOYSA-N 419.394 0.018 30 20 HCED C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1838393374 PWOKMUXLPFSFKD-BDFKGGEMSA-N 421.542 0.591 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058116 KGZQCSDZHHUXGJ-DYESRHJHSA-N 403.479 0.672 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnn4)C3)C2)cc1 1839362764 MUSOCGPIZGKZHD-JOCHJYFZSA-N 421.457 0.926 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)[S@@](=O)c1ccccc1)CCO2 1839673351 OGGDHGOXXXISLL-QINQMWDZSA-N 404.488 0.272 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc(C(F)(F)F)n3)C2)C1 1839807236 QDYXYDSOZPXWDV-SFHVURJKSA-N 411.380 0.733 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(-c4ccccc4)c3O)C2)C1 1839807425 ZMOHZKMFPQWQCJ-QFIPXVFZSA-N 424.457 0.590 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1839809816 MUMBLIJZXYVZFU-KKSFZXQISA-N 423.510 0.769 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cncc(O)c4)CCO3)C2)c1 1840062792 WRWJLKGSYJOJPB-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840168830 URFIEKZZTWEVAA-SMCFQVJDSA-N 421.494 0.775 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840174540 KMASDYLNKBLVGM-XGHQBKJUSA-N 405.495 0.420 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840428815 YHKSRLKDSVDBON-DYESRHJHSA-N 401.463 0.719 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840449718 IZZDRYYFXWMAJV-JTSKRJEESA-N 413.474 0.719 30 20 HCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1840463893 JZMVREXBKPQEJV-QHCPKHFHSA-N 422.485 0.471 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1840842291 ZZFKFEYKIPXQEA-FQEVSTJZSA-N 418.450 0.181 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840940572 RDTGMRVMZRRDNY-NQIIRXRSSA-N 424.542 0.730 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1841747915 UVEXJCNDIDWTQQ-HNNXBMFYSA-N 418.498 0.951 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)COCCNC(=O)OC(C)(C)C)C1 1845153666 UROOQCJDDPDBOF-MRXNPFEDSA-N 423.510 0.769 30 20 HCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1846255953 BKLNEUTZAHSYTD-UHFFFAOYSA-N 411.499 0.436 30 20 HCED C=CCNC(=O)c1ccccc1NC(=C1C(=O)NC(=S)NC1=O)[C@@H](F)C(=O)OC 9771150 XXFRYUUTZVJYRK-GFCCVEGCSA-N 420.422 0.310 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 30130860 NRPJIRNVIKBKNK-CYBMUJFWSA-N 412.487 0.969 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)COC)CC2)cc1 48547878 UAJXUTWDGMNUAR-UHFFFAOYSA-N 410.496 0.816 30 20 HCED CN(CC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 110607367 RZKZKAANZOQDLF-HNNXBMFYSA-N 424.548 0.995 30 20 HCED COC[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 142040358 SJLSIHKHKFLFNA-QIAIEURZSA-N 410.496 0.837 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)CCO1 409474952 LUOVSKBTKDWJFD-KRWDZBQOSA-N 401.448 0.893 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 409489395 YOTXZIYOKCTCHM-OAHLLOKOSA-N 422.515 0.037 30 20 HCED CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1 410114380 AGVUUHSJYGTTAD-UKRRQHHQSA-N 423.413 0.846 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2ccccc2OC(F)(F)F)CCO1 410161168 XPGSQCQOUUZMNP-JSGCOSHPSA-N 423.413 0.795 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432872412 PTZJONTULOGVOY-UHFFFAOYSA-N 415.313 0.715 30 20 HCED C[C@H]1CCS(=O)(=O)CCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 433034245 HRVXIKJZWCZINO-WMLDXEAASA-N 404.492 0.878 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccccc1SCCC#N 440991862 RRDPZUMWWZMHJY-HNNXBMFYSA-N 406.508 0.782 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1F 441857345 VZOBTNXCOHAWBT-WCQYABFASA-N 420.397 0.197 30 20 HCED Cc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2sc(O)nc2C)c1C#N 442381816 VDLGEVHWWMUYHG-UHFFFAOYSA-N 423.476 0.370 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccccc1C#N 443281048 YXJYZRKRRJSVGG-UHFFFAOYSA-N 409.489 0.650 30 20 HCED COCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 446548585 YILBRYRVYMYLQX-OAHLLOKOSA-N 423.491 0.946 30 20 HCED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cnn(CC(=O)NC)c1 448513156 OYRMWJLGZTTYJP-UHFFFAOYSA-N 400.395 0.691 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCO)Cc1ccccc1 460607575 OAASRTWRPYDPOI-UHFFFAOYSA-N 404.430 1.407 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CC(=O)N(C)C)n1 481279710 BTDJGRRIJARIKQ-LBPRGKRZSA-N 404.452 0.148 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCCC2=O)CC1 481768741 NPLBGTJAYCITHZ-CQSZACIVSA-N 404.492 0.838 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)ccc1F 484613284 BDCGJCNFXPRUDY-UHFFFAOYSA-N 403.504 0.973 30 20 HCED COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 491171811 NJNKXVYNJOHWMV-UHFFFAOYSA-N 407.858 0.057 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(C)C 495967219 UXJOTURIKIBOQZ-RCCFBDPRSA-N 411.568 0.837 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)nn1CCC#N 504030261 AGOCMHGJRRUEHD-QGZVFWFLSA-N 401.515 0.672 30 20 HCED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1 509967913 JVDXMQJRTMTPMD-CYBMUJFWSA-N 413.887 0.537 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCCSC 514914988 WQLVVBMMGGVARN-UHFFFAOYSA-N 421.544 0.912 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2CCS(=O)(=O)c2ccc(C#N)cn2)cn1 521106476 DLGZAVCUNBWVDP-INIZCTEOSA-N 423.520 0.415 30 20 HCED COC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 524811942 VBIMXKGZODOHNV-MRXNPFEDSA-N 406.508 0.359 30 20 HCED COc1nc(N2CCN(CC(=O)NC3(C#N)CCC3)CC2)ncc1Br 527377729 ONWKFUWFRZJNPL-UHFFFAOYSA-N 409.288 0.932 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 539364360 BURNIHNHZDLEPC-UHFFFAOYSA-N 423.535 0.450 30 20 HCED N#Cc1ccccc1OC1CCC(NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 540628762 NEGWPIGGSNKBEH-UHFFFAOYSA-N 403.464 0.909 30 20 HCED CCOC(=O)c1cnn(CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)c1C#N 542764345 FMJSUQSYVPWAPK-UHFFFAOYSA-N 411.827 0.871 30 20 HCED COc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cccc1C(N)=O 543926215 JGUPIQHEGDHBCZ-NSHDSACASA-N 402.432 0.971 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)c1 548574775 BSCXKXKBEVIZAX-SKDRFNHKSA-N 416.253 0.660 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 549691949 BHPNFAQANHPBRH-ZDUSSCGKSA-N 424.506 0.720 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCC3(S(C)(=O)=O)CCCC3)CC2)c1C#N 553990584 AZKWMVCLSHLIIA-UHFFFAOYSA-N 408.528 0.789 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC2 557869304 CDUYBEKATUJERX-LJQANCHMSA-N 423.521 0.727 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H](CO)Cc2ccc(F)cc2)n1 577309532 CPVUEMVKVPLKKV-HNNXBMFYSA-N 408.393 0.936 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)n1 580200625 AWYXRJWRSVRMOS-HNNXBMFYSA-N 409.450 0.258 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 584137027 ZRCLGPGICDHPMX-AEFFLSMTSA-N 421.519 0.940 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(N)=O 608912278 QFFUIMDNWLXQPX-UHFFFAOYSA-N 404.517 0.184 30 20 HCED N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 609283008 LWHXQIFIDPLPCF-HOTGVXAUSA-N 408.480 0.578 30 20 HCED CC(C)[C@H](C#N)N1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 609485294 MQWLYOKWIAVITE-KXBFYZLASA-N 419.551 0.777 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cc1S(=O)(=O)NCC#N 609571185 VIJDWNUWPZEZAD-KRWDZBQOSA-N 419.551 0.695 30 20 HCED CN1C(=O)COc2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 619644445 VAAPQCJXICQKRT-UHFFFAOYSA-N 420.429 0.596 30 20 HCED O=C(CNC(=O)C1CCCCC1)NCC#CCNC(=O)CNC(=O)C1CCCCC1 681339109 IHGVOFLJJWSESX-UHFFFAOYSA-N 418.538 0.615 30 20 HCED C[C@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC(C)(C)C 729381749 LHHZCIKZUVJKHJ-NSHDSACASA-N 410.452 0.393 30 20 HCED COCCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 729971564 XWCLUHVFVTWNIY-CQSZACIVSA-N 423.491 0.653 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H]2CCN(c3cnn(C)c3)C2=O)ccc1F 732324353 XZSGZNZKNTWBMN-OAHLLOKOSA-N 422.438 0.986 30 20 HCED Cc1cccc([C@H](CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC(N)=O)c1 732910787 SDNODZXUNMFGQC-CABCVRRESA-N 406.464 0.060 30 20 HCED COCCS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 733634397 TWCQLWQWQXMMTI-MSUUIHNZSA-N 422.463 0.755 30 20 HCED Cc1ccc([C@@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)N2CCOCC2)o1 733887279 VNUXDVIEBOSZMQ-FZFLATATSA-N 402.451 0.994 30 20 HCED CCCCCn1nc(C)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 748981326 LFSOQDMJIFQQJS-MSUUIHNZSA-N 402.455 0.963 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 748981708 ONWUARWHMNKBHL-UHFFFAOYSA-N 405.476 0.345 30 20 HCED N#Cc1cccc(C2(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1 749016412 WCRSZVVAFYFYLI-OAHLLOKOSA-N 400.460 0.829 30 20 HCED CC[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749742525 IGGXITUEGFBNNL-IQQDNESTSA-N 410.496 0.715 30 20 HCED O=C(CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N=c1cc[nH]cc1 750653883 PXAIEGLOQPUYDF-UHFFFAOYSA-N 401.448 0.077 30 20 HCED C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCO2)CC1 752848665 OWMXCQYLOLWCET-CVEARBPZSA-N 410.544 0.213 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CC1 754241118 VWRODKXMVZMJKJ-FQEVSTJZSA-N 417.941 0.261 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2nc(-c3nc[nH]n3)no2)[C@H](C#N)C1 757587772 LJWKMYKZPAVIHY-GHMZBOCLSA-N 402.415 0.663 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 758771273 NOYSHEWAJIARNH-ZFWWWQNUSA-N 402.455 0.607 30 20 HCED CC1(C)C/C(=C/c2cn(CC(=O)O)nn2)C(=O)/C(=C/c2cn(CC(=O)O)nn2)C1 759083772 LDTKPYLOHHWDRI-XPWJWFAVSA-N 400.395 0.895 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 761700552 RIUAPCRKJCQGPN-LJQANCHMSA-N 413.478 0.722 30 20 HCED Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)s1 765145708 MRQAWLQKZCLQBZ-UHFFFAOYSA-N 413.484 0.493 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)c(OC)c1OC 765146901 YHAGDGLFPYZRHP-UHFFFAOYSA-N 424.438 0.999 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1CS(N)(=O)=O 769587916 SWIRRQUKTZWFBW-OAHLLOKOSA-N 404.496 0.820 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC)c1cc[nH]n1 772337235 GHLGMSDGPYJPBS-CABCVRRESA-N 407.471 0.941 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 773414904 BSEDZDPNHDKXFF-DFEHZGFQSA-N 407.426 0.560 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 779613335 OATZXKBVNRMLMJ-GOSISDBHSA-N 406.508 0.953 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 785405880 FWIIHMKWDKCACO-UHFFFAOYSA-N 411.436 0.345 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 790259215 BCPKKJYOSHOVTB-UHFFFAOYSA-N 400.522 0.513 30 20 HCED Cc1c(Br)c(C)n(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(=O)c1C#N 791171263 NOQFWXQRFZJLAB-SNVBAGLBSA-N 402.270 0.994 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 794593563 FIWBFNCXJZKTGU-CQSZACIVSA-N 400.504 0.897 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc(OC)n2)c1=O 794646741 IAMQZYFTBOPDEB-AWEZNQCLSA-N 409.467 0.445 30 20 HCED CS(=O)(=O)CCS(=O)(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 795239046 NYVAYVOSUQTJFH-HNNXBMFYSA-N 405.929 0.897 30 20 HCED 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C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)CN)C2 1802127802 RXYMEVBIKWTPGZ-SIRPWMCASA-N 422.526 0.087 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806866014 OMCFBSMQXQQYBV-LNLFQRSKSA-N 401.467 0.542 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1807150586 MQCVJKUEEWOXGX-QFBILLFUSA-N 411.462 0.457 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)cc1 1808266837 DCIOOCKYKFFNKC-UFYCRDLUSA-N 406.490 0.753 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)C3=NNC(=O)C3)[C@H]2c2cccnc2)c1 1810227490 QALFXVZFKBDRSJ-KBXCAEBGSA-N 405.418 0.477 30 20 HCED N#CCC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCCNC4=O)sc2C1 1818911496 GAGSBMKTVFYAFJ-JTQLQIEISA-N 413.463 0.613 30 20 HCED C[C@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819848056 DGXPVWALMLSDST-UONOGXRCSA-N 418.519 0.888 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc3ncccn3n2)[nH]n1 1822201674 PYHQKXWZJUWLBB-CQSZACIVSA-N 407.390 0.846 30 20 HCED CCNC(=S)NCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)S)sc2C1 1826027729 LSLZQQLVXHIYPM-BDAKNGLRSA-N 401.583 0.857 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1829773662 PSEGQAHHHUKXEV-MARJLNQVSA-N 423.535 0.197 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829904917 ZWUOMVGUEXVDIS-JOCHJYFZSA-N 423.473 0.903 30 20 HCED CCOCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829907266 DRXNJIFNHWRDFH-QFIPXVFZSA-N 415.490 0.984 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830959658 DQHXHZJGBDLQDM-OXQOHEQNSA-N 404.467 0.067 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(F)(F)F)C2)C1 1831391646 TZBMZQXFMACISO-RHSMWYFYSA-N 406.401 0.824 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1831414578 ZMSMTPBMWCXRGS-YLJYHZDGSA-N 421.498 0.278 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)s3)C2)C1 1831424473 KDMQMFGQPIDFRF-LIRRHRJNSA-N 424.523 0.437 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CNC(C)=O)CCO2 1831696878 LOMCDAGLTLVRHK-IIBYNOLFSA-N 409.527 0.817 30 20 HCED Cc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)[nH]1 1831842079 YQWQNEOJXONYIF-JOCHJYFZSA-N 423.473 0.903 30 20 HCED CC(C)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1832407603 IYMBHUFKNTYXBQ-QHCPKHFHSA-N 417.550 0.977 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 1832805037 WCEDIXINNGXVAL-IBGZPJMESA-N 419.438 0.051 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n1 1833092128 VQNLONLLMKFOIC-QFIPXVFZSA-N 423.473 0.833 30 20 HCED Cc1[nH]nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)c1F 1833672202 HFHFBQQYHFOYAJ-LJQANCHMSA-N 416.413 0.441 30 20 HCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756249 QBJJSHXDIOLMAA-UGKGYDQZSA-N 412.490 0.413 30 20 HCED O=C(Cn1cnnn1)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834874973 AICLVMCIFDLTEO-UHFFFAOYSA-N 421.505 0.296 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ccnn5c4)C3)C2)CC1 1835346451 BQBLRTGSOJBVTA-NRFANRHFSA-N 409.446 0.708 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348060 NSKINNGBLCEPBT-FOIQADDNSA-N 401.467 0.513 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(F)(F)F)CCC1)CCO2 1835473881 BSAYTYLCGWLRAH-MRXNPFEDSA-N 418.368 0.263 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)c1 1835530245 GUIRGAOLMFPKSN-IERDGZPVSA-N 400.479 0.532 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835717457 WIPHRWIKSYLZRH-SFHVURJKSA-N 411.543 0.140 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837288934 KNSZLVJSWSRFJC-UGTOYMOASA-N 417.550 0.977 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cncn3)C2)C1 1837305901 MMBQMAOMDZOMKI-FXAWDEMLSA-N 403.483 0.503 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837403524 VFYYRHFWZLVSMI-KEAYGVSJSA-N 424.538 0.567 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767635 NDQRPSCJGFDIEC-YMTOWFKASA-N 423.417 0.212 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)ccc1O 1838972984 FEUXKKOQFXZFAB-FQEVSTJZSA-N 403.435 0.775 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)F)C3)C2)c(C#N)c1 1839131855 CUARYOOXIBYXAS-FQEVSTJZSA-N 423.416 0.831 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1839223731 GUYIVTPEJCAGMA-OXJNMPFZSA-N 411.499 0.670 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224521 LJEZBTAZGQVNKB-PFRQMTDMSA-N 412.531 0.617 30 20 HCED COc1cccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840159236 ZGFAHSKDYJBYNQ-AUUYWEPGSA-N 409.508 0.407 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840596801 BAPGQJHLXIDROS-JZZAUFGESA-N 403.479 0.101 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)CCC1 1840812839 OJQCCHWRFAJGGZ-GOSISDBHSA-N 405.480 0.489 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccc4F)C3)C2)CCC1 1840814700 VOQPMTZCFLDVOZ-HXUWFJFHSA-N 402.426 0.985 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938399 RQHBMLRXYRYFJO-ICSRJNTNSA-N 413.584 0.883 30 20 HCED CCc1nn(C)c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1Br 1843148490 DORWQOABOSGDBX-UHFFFAOYSA-N 423.267 0.650 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCOCC1 18759632 OHLQLMQYXLYBIC-OAQYLSRUSA-N 413.430 0.554 30 20 HCED N/C(=N\OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 28774871 YISAFOZFMKTVJR-UHFFFAOYSA-N 418.475 0.983 30 20 HCED CCN(CC)C(=O)N1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 29917919 YNFDCNFEXJSVTB-UHFFFAOYSA-N 417.514 0.583 30 20 HCED N#C[C@H](C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1nnc2n1CCCCC2 41508371 IJMNLPAABMYFHY-CQSZACIVSA-N 418.479 0.844 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 42396318 RRBYDSKBKGMSTL-UHFFFAOYSA-N 418.519 0.240 30 20 HCED C=CCc1ccc(OCC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(OC)c1 47402613 XXIDVJZVTNHMPV-UHFFFAOYSA-N 401.463 0.752 30 20 HCED CC(C)(C(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1)c1ccccc1 409525010 FQLMYYIYTNMKJL-KRWDZBQOSA-N 406.508 0.578 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)c2)CC1 437414462 VTFMJPYAONGHQF-HNNXBMFYSA-N 421.523 0.569 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H]2C[C@@H](N(C)C)CC[C@H]21 437592740 SKGBFACFTIQDEW-IAAVTCLWSA-N 420.535 0.935 30 20 HCED C=CCc1ccc(OC[C@H](O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)c(OC)c1 439443308 ACEADZFOFYMFPH-HZPDHXFCSA-N 413.492 0.435 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C1=O 440258281 HVMHLPJCILLDDM-CQSZACIVSA-N 400.414 0.899 30 20 HCED CNC(=O)[C@@H](C)CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442036145 WZQVJVLIHRTNJN-NSHDSACASA-N 402.842 1.176 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)c1 446518079 NFKNPHFYBDIKSB-LLVKDONJSA-N 417.390 0.106 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C 461342542 SFRHXJLSGRPQJU-UHFFFAOYSA-N 405.451 0.250 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 472441851 DCSNZZJUURJGMI-UZQPLGKSSA-N 406.442 0.780 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)c1C#N 472888533 OWGWIIHPJBPYMZ-UHFFFAOYSA-N 413.413 0.126 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccs3)CC2)c1C#N 472999292 ISDCWPXYIDXWRS-ZDUSSCGKSA-N 422.536 0.677 30 20 HCED COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(OC)c(O)c1 473170813 YNIXGIPVADYUMD-UZLBHIALSA-N 418.494 0.897 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473395603 MZFLIRYMTKFHKA-GOSISDBHSA-N 418.519 0.980 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 473488810 KEZNXKLPAXAFRS-KRWDZBQOSA-N 406.508 0.837 30 20 HCED C=CCN(CCOC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 480788904 RVDXPMWHBTWPQK-UHFFFAOYSA-N 418.537 0.839 30 20 HCED N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c(F)c1 481050035 APZGBCVKSNBBQF-UHFFFAOYSA-N 424.479 0.929 30 20 HCED COc1cc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1C 482880304 KSRBIVWKACYDQW-UHFFFAOYSA-N 424.505 0.925 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](COCC4CC4)C3)CC2)o1 485852310 IKZINBPBCJGGCU-QGZVFWFLSA-N 403.483 0.631 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 485897731 KERXWJGNPVPSOA-KRWDZBQOSA-N 422.507 0.187 30 20 HCED C=CCc1cc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)cc(OC)c1OC 500078997 XCSFJYDLNFLOBU-UHFFFAOYSA-N 404.510 0.497 30 20 HCED C=CCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC 502715288 IOIZOMJFIKIGRN-CVEARBPZSA-N 410.492 0.488 30 20 HCED C=CCN(C(=O)C(=O)Nc1cccc(C(N)=O)n1)[C@H](C)c1cccc(-n2cnnn2)c1 504267795 XUIOSRNLTZXHNI-CYBMUJFWSA-N 420.433 0.871 30 20 HCED COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 508088371 ZVFAYRRJFBYUGX-IRXDYDNUSA-N 410.452 0.347 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)C(C)(C)C)CC3)CC2)o1 514219968 WXNHGYMHGMFZDO-UHFFFAOYSA-N 402.499 0.694 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)N1CCOCC1 514693826 ACGFVASXCWAEMB-UHFFFAOYSA-N 423.477 0.673 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 516793025 NZGHRRGLICSUGY-HXUWFJFHSA-N 400.523 0.943 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)c1 517117096 KWAQNZXOKRIPCC-UHFFFAOYSA-N 422.445 0.495 30 20 HCED N#Cc1ncn(CCNC(=O)CCNC(=O)c2cc(F)ccc2Br)n1 517544855 ALVNVHINLNGOBE-UHFFFAOYSA-N 409.219 0.988 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)nc1 518210071 MKOIFUWZKRAMAN-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 531145111 UZMDIMIRTHOVFA-KRWDZBQOSA-N 424.417 0.264 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 531706859 CDZWUERBHJCJIV-NOLJZWGESA-N 413.521 0.697 30 20 HCED Cc1nn(C)c(C)c1CN1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 539207029 XYPPOODBOMBFAF-UHFFFAOYSA-N 412.498 0.969 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCCS3(=O)=O)CC2)cc1 544383992 WBKFVPCVAVMOSJ-MRXNPFEDSA-N 411.505 0.358 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)n1 545489946 QFRJKZGBULIEKX-UHFFFAOYSA-N 406.402 0.571 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 551546377 RRQQBPKBUVEPKE-UHFFFAOYSA-N 401.467 0.614 30 20 HCED CN1CCN(c2cc(CNC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)CC1 555997417 CCVQLHDCTPXIFO-UHFFFAOYSA-N 406.490 0.980 30 20 HCED Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 556386273 FLNDXYQBWVBFHB-MRXNPFEDSA-N 423.477 0.868 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@@H](C)O1 557520172 YSCKVPOJDWQJHF-CHWSQXEVSA-N 424.483 0.525 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)n1 563708612 MSDZRWDQDPWMEJ-UHFFFAOYSA-N 424.508 0.773 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1O 569029092 YORURICJVVSDBU-UHFFFAOYSA-N 423.472 0.725 30 20 HCED C[C@H]1CN(C[C@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 572768717 QLRCCJLLYZPWCC-SOLBZPMBSA-N 420.535 0.937 30 20 HCED N#CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 572790183 RQUJRMVLFXNFHR-UHFFFAOYSA-N 416.415 0.586 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCn2cc(CO)nn2)ccc1OC(F)(F)F 574947595 KZYDTFNVDWRZCL-UHFFFAOYSA-N 412.328 0.686 30 20 HCED CO[C@@H](CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(F)(F)F 578935778 SYYVCIQATIEXMK-ZDUSSCGKSA-N 416.404 0.332 30 20 HCED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 610900801 LRLZTWQEZZUGNM-DNVCBOLYSA-N 420.535 0.794 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 675539616 HRXCQQGWDQNMNC-UHFFFAOYSA-N 423.539 0.731 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 729237862 VAAPLGBGSIHRMB-JTQLQIEISA-N 405.270 0.961 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3cccc(C#N)c3)CC2)c1=O 729467112 MJPBCOPFPYSWLW-UHFFFAOYSA-N 423.473 0.916 30 20 HCED CC(=NNc1nnc(C)c(O)n1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816576 KGNGBDJPZQLTAL-UHFFFAOYSA-N 414.469 0.447 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC(C)C)c2=O)cn1 732561538 PAIOPJFFFOVIAN-UHFFFAOYSA-N 417.535 0.438 30 20 HCED CCOc1cccc2c1OCC(C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)=C2 732908762 QTSKPZLXXRQLMB-HNNXBMFYSA-N 404.444 0.827 30 20 HCED COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742117274 BGFZYDBFECZKAT-HNNXBMFYSA-N 401.444 0.798 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1 742634024 KMRPESWQRLVAFN-UHFFFAOYSA-N 411.405 0.812 30 20 HCED C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 742654987 SRDJWIUSDCVZPC-UHFFFAOYSA-N 402.494 0.867 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 743890027 SBZHUFWGXFDIGA-HNNXBMFYSA-N 418.469 0.835 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 747278862 RRZKFHTVPVQOSB-UHFFFAOYSA-N 418.519 0.259 30 20 HCED COC(=O)CC1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 749505167 CSZGWDURIHLBSQ-UHFFFAOYSA-N 423.491 0.734 30 20 HCED CNC(=O)C[C@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)F)C1=O 751925621 SGCCTSHNGHDHJW-SXHYEUBBSA-N 420.463 0.535 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)cc1 752044937 SAZCUIDLFBPRCH-AUUYWEPGSA-N 418.475 0.048 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)[C@H](C#N)C1 755535862 ITHMSQSDQBPPBJ-BXUZGUMPSA-N 419.413 0.738 30 20 HCED C=C(C)[C@H](CC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)OCC 756471590 RTKDLUXHWRKBDQ-CVEARBPZSA-N 402.513 0.232 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C#N)s2)c1=O 758039258 BOZBZEZXBWTKRS-UHFFFAOYSA-N 420.475 0.889 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2F)c1=O 758078188 JDJXPAFHMAMTGJ-UHFFFAOYSA-N 403.410 0.087 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)CC2)nn1 759407623 FNODMPSNOIRCBM-UHFFFAOYSA-N 412.406 0.769 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2CC(O)C2)cc1 764685122 MUVJPYLGCBHOTD-XLNRJJMWSA-N 422.507 0.715 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCC(F)(F)F 767628469 RLWOHEIFQXURAR-UWVGGRQHSA-N 407.370 0.835 30 20 HCED C#C[C@@H](C)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773604548 PRDBUKCBMCXHSH-GFCCVEGCSA-N 403.482 0.112 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CC1 775699190 AWZZZYFLRKZRTE-UHFFFAOYSA-N 411.352 0.438 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cc1S(=O)(=O)N(C)C 776139615 ULYVTRTURUBKJW-UHFFFAOYSA-N 403.482 0.555 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCOC[C@H]2OCCOC)ccc1F 777015889 JYJNKJRYROOSES-JKSUJKDBSA-N 416.471 0.840 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2ccccc2CC#N)c1 777388833 ZYMPELJNPBMCSQ-UHFFFAOYSA-N 400.460 0.958 30 20 HCED CC(C)CN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 779275660 GAXRMPGEYCGADC-AWEZNQCLSA-N 406.508 0.831 30 20 HCED C#CCOCCNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 784591577 LOMXNDTWJZIGPQ-UHFFFAOYSA-N 421.475 0.535 30 20 HCED C#CCNC(=O)CN1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 787211238 HQBOMHAGMXJYKD-IBGZPJMESA-N 404.461 0.823 30 20 HCED C#CCn1ccc(CN(CC)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 790119458 ZHPAJIVEZSDJEW-UHFFFAOYSA-N 409.494 0.784 30 20 HCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1C#N 799555689 CCBJHXFBKKENRR-IYBDPMFKSA-N 406.508 0.979 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)c2C1 802782025 LVVMYPYOXRSZKL-LBPRGKRZSA-N 419.438 0.711 30 20 HCED C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 812180603 YLLRXRWBZMGSLI-KGLIPLIRSA-N 415.541 0.091 30 20 HCED CNC(=O)OC[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 813726763 GMDUHKRHYZKCLT-ZDUSSCGKSA-N 408.480 0.852 30 20 HCED CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883152 CFIRAVQQVYNGOL-GDBMZVCRSA-N 420.491 0.701 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)CN(C)C 815684418 NMXLOMMQVIUUJY-KTNMXJNISA-N 423.539 0.752 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1ccc2c(c1)NC(=O)CO2 816129244 PABKCWPTPFMWGN-UHFFFAOYSA-N 402.344 0.916 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccc2F)c1=O 916200194 YDNNQORNDAEPDI-UHFFFAOYSA-N 401.463 0.821 30 20 HCED CN1CCC(C#N)(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 917126346 WCYPGLFCNDUWCQ-UHFFFAOYSA-N 415.519 0.952 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC[C@@H]1CCCO1 921172527 XWOOYBQUEBMDLD-HIFRSBDPSA-N 409.464 0.719 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 1157761169 RRKOLLPLLCQYPH-YPMHNXCESA-N 415.493 0.081 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 1296167802 NYGWPXJEOVDMMI-QWHCGFSZSA-N 410.471 0.843 30 20 HCED CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1303458348 YRGSDLQJRPQLQT-GOEBONIOSA-N 409.464 0.454 30 20 HCED N#CCN1CCC(NC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1319094928 MIKORHKALIUJRV-SFHVURJKSA-N 410.478 0.640 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)C1 1620347005 LONCOVQDKAPVMO-OTYXRUKQSA-N 403.340 0.350 30 20 HCED Nc1ncc(Br)cc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1641043289 YQGKAYHBPWBMGO-UHFFFAOYSA-N 424.280 0.781 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)C3CCOCC3)CC2)cc1 1681279085 XBVVFVSIGSNNBN-UHFFFAOYSA-N 420.535 0.979 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1684481239 YUJGVZUKDSOHOW-UHFFFAOYSA-N 420.539 0.755 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(S(C)(=O)=O)CC3)CC2)c1C#N 1742669137 JHBABPBWGGKLDS-UHFFFAOYSA-N 418.527 0.404 30 20 HCED COc1ccc2oc(C(=O)N3CC[C@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)cc2c1 1778423268 OKJAOOCOWUTXRX-NRFANRHFSA-N 412.398 0.973 30 20 HCED Cc1cnoc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103773 YQEBOEPXBDBLQO-AGJWPYNWSA-N 406.439 0.956 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107747 YIPDKEJCRHOUBA-LVZGSSTFSA-N 410.515 0.686 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c1 1780168033 CKYYLUQGPSEJQN-HXUWFJFHSA-N 410.434 0.751 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)c1 1780335948 RKEMFEJTOILELL-HXUWFJFHSA-N 405.418 0.915 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780593529 AESSHONKMCZXMX-QRWLVFNGSA-N 419.503 0.682 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1780803116 VJRKQDOLZTVRPN-NXEZDXNNSA-N 410.471 0.410 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1C 1781394480 ADFMMAWSSXFHGG-AUUYWEPGSA-N 407.471 0.673 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)c1 1781961887 SQAUSFXSFJWZDO-SFHVURJKSA-N 405.455 0.768 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)c1 1782053033 QOAYHFYAJMCNFE-JTSKRJEESA-N 410.474 0.836 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4ccc(O)nn4)C3)C2)c1 1782635207 CXSSHFKQXVFAGU-FQEVSTJZSA-N 410.434 0.458 30 20 HCED CN1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C3)C1 1782746180 HVQVKJDIFGZPOM-DYESRHJHSA-N 405.543 0.344 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)C1(O)CCC1 1783511365 CCXTUSOQWRLVGX-QOHMCUEZSA-N 420.554 0.989 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783754381 IXJLLUVOVDDEIN-NRFANRHFSA-N 419.526 0.111 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 1784505274 LZRUDHHGFCSQQD-FCLVOEFKSA-N 415.490 0.970 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784612037 FXPVCHHMBJLGCL-QRWLVFNGSA-N 404.467 0.839 30 20 HCED C=CC[C@H](CC(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1)NC(=O)OC(C)(C)C 1785305717 AWDDIFOQVGANOJ-FOIQADDNSA-N 410.515 0.635 30 20 HCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]32)n(C)n1 1785613660 DQXDJPXIXRWHHG-HPZZRFSDSA-N 410.540 0.976 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C(=O)O)ncn4)[C@H]3C2)C1 1785639577 FVTKZUUAZRNHCK-JDFRZJQESA-N 400.435 0.734 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3C)[C@H]2C1 1785868342 CHIKJGJXVZTGEH-CVYDXHPNSA-N 403.479 0.570 30 20 HCED 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506155431 JFJNKAJDJBINTD-UHFFFAOYSA-N 422.485 0.890 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508817944 QLLCWXMYXNGZIS-HNNXBMFYSA-N 408.503 0.361 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1=O 522245164 IZPWIYXTJOVXHE-UHFFFAOYSA-N 415.406 0.071 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(CC)o2)c1=O 532109214 QNZXEMLXEASYCN-UHFFFAOYSA-N 419.503 0.367 30 20 HCED CNCCCc1[nH]nc(NC(=O)Cn2cc(Br)c(O)nc2=O)c1C#N 534790926 DEJTYIJQIFBFJX-UHFFFAOYSA-N 410.232 0.097 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)CC1 539454924 KNYIRUIGSWQZHP-MSOLQXFVSA-N 400.458 0.244 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc(S(=O)(=O)NC)c3)no2)C1=O 546409058 WMELBPIJYHGTRV-UHFFFAOYSA-N 405.392 0.122 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 547455108 IACNPPDAHPMOII-HXUWFJFHSA-N 405.458 0.659 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 554950583 OXSRGTCZIFFZRE-UHFFFAOYSA-N 422.507 0.975 30 20 HCED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)(F)F 564515734 BTCAUFGMNMOOMS-GFCCVEGCSA-N 404.414 0.932 30 20 HCED COc1ccccc1O[C@H](C)CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 572031858 RPYQDNFZMFCLFN-CYBMUJFWSA-N 414.466 0.847 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 573884891 JGQDENIETRNPOH-CVEARBPZSA-N 422.555 0.109 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1(N2CCOCC2)CCCC1 577110202 HYIRTJDKRBAEEW-MRXNPFEDSA-N 420.535 0.986 30 20 HCED CCC(O)(CC)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 578692768 FKRQBBLVYUPSAY-QGZVFWFLSA-N 400.479 0.833 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 586808645 QELLJWWRMZYYPB-CYBMUJFWSA-N 414.466 0.199 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C2=O)cc1 588869168 FXCWPMSPDGPHIO-VQTJNVASSA-N 423.517 0.862 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 589523872 ZKXVOFVXSBFYIH-UHFFFAOYSA-N 413.257 0.007 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)CC1 592359274 ZHMJTEPOZZTHKW-SFHVURJKSA-N 400.479 0.683 30 20 HCED Cn1cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1C(N)=O 603592496 SIBUCGWEYIHOPN-UHFFFAOYSA-N 404.452 0.372 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@]2(C#N)CCSC2)c1 603888454 UDFWCRZBUZHHMY-GOSISDBHSA-N 424.548 0.962 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc3ncccc3c2)c1=O 729673215 ITVCDNPFMIFCRT-UHFFFAOYSA-N 410.480 0.529 30 20 HCED N#Cc1cnn(CCOC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1N 731772827 YBLFBUNVHJMYME-UHFFFAOYSA-N 418.207 0.939 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCC(=O)NC2=O)c1 731895856 XZHCYCQQNLOWNV-XSFVSMFZSA-N 407.452 0.380 30 20 HCED CS(=O)(=O)NC1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCCC1 732440768 HRZRDOZGHHNOHQ-CCEZHUSRSA-N 413.500 0.064 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 733891594 PPTNQWGTCPQXOY-ISLYRVAYSA-N 406.464 0.306 30 20 HCED Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 735189684 AXAJQIIEIWHLEF-UHFFFAOYSA-N 415.475 0.973 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1OC 742639338 WXZWXMDZLALOMJ-NBZYUPRNSA-N 413.430 0.937 30 20 HCED CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC#N)c2)C1 746433863 VOGPSCGINWMTTR-GFCCVEGCSA-N 414.388 0.995 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCOC 748645830 RTVJULBMFLEQDI-UHFFFAOYSA-N 416.528 0.909 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccs2)[C@@H](C#N)C1 749519866 CAAIHIYTPSDCEO-LBPRGKRZSA-N 414.509 0.998 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)CC1 749638451 CIWGLGIHYCMHOH-UHFFFAOYSA-N 420.491 0.375 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1CCOC 752194390 OQVSLGLFBRMNRR-UHFFFAOYSA-N 404.517 0.380 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(S(N)(=O)=O)c2)[C@@H](C#N)C1 754387913 XDUWEEKHLANHFZ-NSHDSACASA-N 400.482 0.981 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(F)c(F)c(C(=O)OC)c2)CC1 756172142 FYWYXLKBGFNHNB-UHFFFAOYSA-N 400.403 0.902 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)O1 758660459 FKAUAIDJQGVNCJ-TUVASFSCSA-N 409.487 0.680 30 20 HCED CC(C)N(CCCNC(=O)CON=CC(=O)Nc1cccc(F)c1)S(C)(=O)=O 762674783 QUIBJKZHDYVUCH-UHFFFAOYSA-N 416.475 0.943 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(C)Cc1cnn(C)c1 767625681 CXCXGTBDITXPBG-CYBMUJFWSA-N 419.463 0.160 30 20 HCED CSCCNC(=S)NN=C(C)c1ccc(S(=O)(=O)NCCC(=O)O)cc1 769601046 APGUCIFDKOESHB-UHFFFAOYSA-N 418.566 0.991 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc1 770848934 ZKOYUPGSLJQWTI-MRXNPFEDSA-N 416.459 0.979 30 20 HCED C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCCO1 775322677 FKDDCAQBMSLRAZ-HZPDHXFCSA-N 408.476 0.813 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 783186659 VWULRWBHQPJJSX-CYBMUJFWSA-N 403.526 0.898 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)(C)O 784065418 HWYDPUISZLIQQO-DRPFOCBESA-N 410.496 0.714 30 20 HCED COc1coc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1=O 798676890 YHBXVYSHMKDNKL-UHFFFAOYSA-N 402.363 0.322 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 799285587 IPSCQNLGYBXATK-SFHVURJKSA-N 402.495 0.142 30 20 HCED COCCCn1nccc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 802711566 XYMIXTKMBIIPNK-UHFFFAOYSA-N 421.527 0.697 30 20 HCED CC(C)(C)[S@](=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 806196818 PSNPPVCJNMKECN-GUNSETOZSA-N 418.519 0.439 30 20 HCED C#C[C@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCO1 808902567 OFNNLSOWPZAATF-IRXDYDNUSA-N 406.527 0.026 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@@H]1CCCO1 809310358 IZZPRRMXASTFSZ-ROUUACIJSA-N 413.474 0.399 30 20 HCED C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(-n4cnnn4)cc3)n2C)n1 809864776 BSCPGJZSUSYPGV-UHFFFAOYSA-N 418.465 0.941 30 20 HCED N#CCCCC(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 812615791 NFYNCWSQQGEQAI-KRWDZBQOSA-N 401.419 0.734 30 20 HCED CNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 813726323 VBXUVIGTRRRWHT-UKRRQHHQSA-N 408.480 0.962 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250059 GFXGSIDDMWKHOF-UHFFFAOYSA-N 419.457 0.424 30 20 HCED COc1cc(C=NNc2ccc(S(N)(=O)=O)cn2)cc(Cl)c1OCC(N)=O 914697203 JIJFQPHQKXEGII-UHFFFAOYSA-N 413.843 0.701 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 914874256 UTRUTTNKDGADCV-UHFFFAOYSA-N 400.526 0.592 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C1CC1 914944649 MGRFROZCOAPVED-IBGZPJMESA-N 420.491 0.834 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)N(C)C(C)C)CC2)c1=O 915211876 HZSYGWWQTJFHIY-UHFFFAOYSA-N 405.499 0.080 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 916200230 ZHMYVZXSJQRLQV-UHFFFAOYSA-N 414.443 0.246 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)Cn1cnc2ccc(Br)cc2c1=O 916891282 SEFQDCBIYJDLME-GFCCVEGCSA-N 407.224 0.630 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCS(N)(=O)=O 918380669 INVXWAIXPHUHJM-CYBMUJFWSA-N 416.525 0.079 30 20 HCED COC(=O)C1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOCC1 1194369829 ZWBIDEXNVUTAFO-GOSISDBHSA-N 418.469 0.846 30 20 HCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1295055255 HYUXTERLLMSJPM-CYBMUJFWSA-N 411.532 0.497 30 20 HCED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1303645745 PWMCODQEZZOUII-UKRRQHHQSA-N 416.507 0.952 30 20 HCED Cn1c(=O)c2cc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 1310120096 MQRGIHAQGUBOMU-UHFFFAOYSA-N 419.445 0.858 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](OCCO)C3)C2=O)cc1 1320642269 SNESCSNRDLNHFD-DLBZAZTESA-N 400.435 0.763 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 1320723534 UPGVOVCRGVUHIQ-TZQQIIETSA-N 409.446 0.544 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 1337988940 WMCSTVMRAOAHOK-HTXNQAPBSA-N 416.459 0.327 30 20 HCED N#Cc1ccc([C@@H](NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C(N)=O)cc1 1339291259 YBTSTFJVMSQUNA-GOSISDBHSA-N 406.508 0.647 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cccnc3N(C)C)nc2)CC1 1342844940 WGKNWLOMRQMQND-UHFFFAOYSA-N 403.512 0.925 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 1351736699 UDEDRZACQSHQLA-AWEZNQCLSA-N 401.471 0.984 30 20 HCED CC[C@H](CN1CCOCC1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1455948924 VVANBCLOUMHLHW-HUUCEWRRSA-N 408.524 0.731 30 20 HCED CS(=O)(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1505148181 YGDGTPFZNRQTJJ-HNNXBMFYSA-N 424.914 0.800 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CC1 1505320846 XHOTUOQREARPKW-MRXNPFEDSA-N 423.539 0.852 30 20 HCED CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1517569199 ZYSIQUCQUCWNDT-UHFFFAOYSA-N 423.481 0.868 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccnc(C#N)c3)cnc21 1556465054 QZRBPOJDSSCFEO-UHFFFAOYSA-N 402.212 0.476 30 20 HCED CCOC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 1557388132 OVYNVRFTCYEXHL-GFCCVEGCSA-N 407.370 0.837 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2nccn2C(F)F)CCO1 1620355322 ROOAQCFZFZCVEB-GFCCVEGCSA-N 406.397 0.883 30 20 HCED CO[C@@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749224778 KKBNLTMBNDRLKY-FUHWJXTLSA-N 414.514 0.878 30 20 HCED C=CCNC(=O)[C@H](C)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1755174401 PVOSMHBQIXVVIS-WXJALIKYSA-N 403.523 0.794 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCC1 1761482791 MYSHEAQALYVNBR-RHSMWYFYSA-N 413.523 0.816 30 20 HCED COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1769231315 NBOMGNGTMAEMMV-HOTGVXAUSA-N 405.503 0.254 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778161290 VRVPUBNXJNMEAY-QRWLVFNGSA-N 409.483 0.232 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1778969476 NDXJGDHPHLOINL-HRAATJIYSA-N 406.527 0.671 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1779100903 HCFGZUBKHGNLFA-IMTYQHOASA-N 403.439 0.449 30 20 HCED Cc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cn1 1779102098 WQABIBCLDKMZMT-AGDXKCLUSA-N 417.466 0.758 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CC(O)C1)C2 1779417443 CGCSANFDZITJRX-VXEANZHUSA-N 423.510 0.800 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779555767 IENHOASFBOIPIG-DZKDUJFISA-N 409.527 0.864 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C)C2)C1 1779780020 QXZLQHRKFKBXQC-HXUWFJFHSA-N 402.451 0.738 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(C(=O)O)ncn4)CCO3)C2)c1 1780331930 COULQWVVJKHHOL-IBGZPJMESA-N 410.390 0.132 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1781399848 JRHJBLRBPLYCLL-GUYCJALGSA-N 401.485 0.435 30 20 HCED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)ccc4F)C3)C2)cc1O 1781960377 MFSFBFCINIIHGL-FQEVSTJZSA-N 413.409 0.894 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)S)C1 1782176734 TUIBCXFLTDTGDL-VMUDFCTBSA-N 421.585 0.146 30 20 HCED Cc1nccn1CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1782775857 PSVWQKGHQVBYBL-BOURKTIISA-N 402.499 0.493 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCc3ccccc3[C@@H]1O)CCO2 1783557126 BHOHNTSJYJZIHW-XJABCFGWSA-N 412.442 0.200 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc3ccccc13)CCO2 1783561750 JQIULPRFIZHEHK-OAQYLSRUSA-N 409.398 0.472 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(=O)Nc1ccc(F)cc1)CCO2 1783564850 BGTIWNJEQZCYDJ-HXUWFJFHSA-N 417.393 0.072 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1784484603 XHWKXBYUBCHULG-CVYDXHPNSA-N 411.462 0.361 30 20 HCED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1784740221 AJCGZUXKZNCVKT-FQEVSTJZSA-N 419.503 0.365 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CC[C@@H]5CCC(=O)N5C4)CCO3)C2)CCC1 1785367245 DNWHVHIGYLXUKO-YVHKJVDXSA-N 414.506 0.911 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)CCN3CCCC3)C2)C1 1785672648 QJJLWGMWIRGQHQ-VXTZTNHISA-N 422.526 0.831 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1785688588 AERDQCUXMUWXNV-AVYPCKFXSA-N 409.458 0.797 30 20 HCED COC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788628514 MQQPPNYTPNAEDE-BZSNNMDCSA-N 420.506 0.618 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(-c4cc[nH]n4)cc3)C[C@@H]21 1791078200 OBFJAGSGTMXWGD-LNLFQRSKSA-N 422.441 0.758 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1793348958 STMOCMPEPBUSPF-ALXJQNPVSA-N 418.494 0.573 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1CCCCO1 1793767258 NUDZIFWTTHAEDT-SFNKJDCFSA-N 406.527 0.817 30 20 HCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C(=O)O)ncn2)cc1 1794368732 NFHUSGQNVPPDLE-JLVBRIDZSA-N 421.413 0.563 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cscn1 1795798552 PZDZGCVJRVPVFN-CNWIRUGESA-N 404.492 0.134 30 20 HCED 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C#CCO[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cc(O)nc(O)n3)C2)CC1 1810882499 SEYRKPYBZMDQDM-CQSZACIVSA-N 402.451 0.771 30 20 HCED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812352795 FMJRMRDUIHUNFT-XAYKYTGQSA-N 417.491 0.980 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)CN4CCOCC4)sc3C2)c1 1814567890 CRGYJHDUDOUGTK-ZDUSSCGKSA-N 414.491 0.901 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C=CCN3)sc2C1 1816997140 OYNOZUQVMUZGPI-JSGCOSHPSA-N 402.524 0.865 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)[nH]n1 1817315303 GQDKSCDDOIGBTH-UKRRQHHQSA-N 415.498 0.962 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H](C)S)CC1 1828763119 KOUCTSWUZVLVTA-VHDGCEQUSA-N 401.529 0.989 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(=O)n4O)C3)C2)C1 1829663880 QGTDNRYUQMUWOW-HXUWFJFHSA-N 403.435 0.122 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)C1(O)CCC1 1829741110 RJUPEBJKIAOCPM-QRWLVFNGSA-N 416.478 0.507 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN4CCCC4)CCO3)C2)cc1 1829875224 QDRAHCFLUYUPDG-JOCHJYFZSA-N 412.490 0.724 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829919139 LYPQTHQMZNCLKY-FAKCTINISA-N 419.478 0.724 30 20 HCED CC(C)n1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830056615 HMMGEXQEVYKBKE-IBGZPJMESA-N 404.471 0.479 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1831424937 OIFUJBMLXYTTRW-FZKQIMNGSA-N 410.496 0.386 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)nn1C 1831483967 TUZAUIQZAVHFNH-QUCCMNQESA-N 424.567 0.682 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n(C)n1 1831485265 AVUOPDRKTXIJNV-APWZRJJASA-N 410.540 0.753 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1833475672 GIECDSRDJKDEJN-INIZCTEOSA-N 404.515 0.441 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)no1)CCO2 1834225885 QEAPSQWHJXHDAY-FQEVSTJZSA-N 421.450 0.562 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1835097125 SLUREELLLHSTSA-JOCHJYFZSA-N 406.442 0.598 30 20 HCED CCc1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)s1 1835842405 KVUQKQFTNSCCBO-UHFFFAOYSA-N 418.519 0.979 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CO3)CCO2 1836990871 MMEGILVGYNKFOR-HXUWFJFHSA-N 414.418 0.001 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C)C2)C1 1837397353 VCDKONISMJRJMX-LIRRHRJNSA-N 424.523 0.490 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)COc3ccc(O)nn3)CC2)CC1 1837636216 NXNGFPMYXGWFQN-UHFFFAOYSA-N 403.439 0.473 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1837693346 ONKLYELYFSVFQM-SIXWZSSISA-N 413.540 0.088 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(O)nc4)C3)C2)c1 1838737844 AOELGGMBXFOSPZ-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2)C(F)(F)F 1839067711 KPSIBKBXHIMCRZ-CRAIPNDOSA-N 419.444 0.903 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@H](O)CN3)CCO2)C1 1839078032 HKSYLHZZHQCYFD-XGHQBKJUSA-N 409.527 0.158 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1839224836 ZQLXOYDUKSRCEB-QRWLVFNGSA-N 419.482 0.656 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)N(C)CC)CCO2)C1 1839641256 BXSQAFFZLIYHGD-LLGFUMIMSA-N 411.543 0.356 30 20 HCED CC(C)N[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(C)C 1840159859 POJHLDLYJUSZQB-GJYPPUQNSA-N 401.573 0.784 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840174194 NWPNVVGIOBGITI-SFHVURJKSA-N 403.464 0.732 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccccc3)C2)C1 1840176276 GIEBVKREVBNAPH-VGOFRKELSA-N 415.490 0.837 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1840291959 OTLYEOWSSCCDRG-OAQYLSRUSA-N 402.495 0.992 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1840466772 WGHOGURDYDBQPZ-NRFANRHFSA-N 402.495 0.613 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840841373 VFNSJYAELVALGA-NRFANRHFSA-N 400.479 0.631 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1840844366 RGQMAWCUXDGRCS-REWPJTCUSA-N 424.501 0.622 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 16734531 DAZPPHRMWNUCKQ-UHFFFAOYSA-N 424.504 0.999 30 20 HCED Cn1c(NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C#N)c(=O)n(C)c1=O 54360463 XPAOKNATSKLFJZ-UHFFFAOYSA-N 417.491 0.742 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C 409516351 WUYBVSYBNUAUNI-ZIAGYGMSSA-N 404.533 0.881 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 438064373 FEPJCDWCLFMVCP-DYVFJYSZSA-N 410.496 0.814 30 20 HCED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)nc1 444508175 VDWWECBMMKNJKQ-HNNXBMFYSA-N 409.450 1.316 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)n1 444508520 QRWCGFXEFLCTIF-UHFFFAOYSA-N 400.483 1.423 30 20 HCED COCCCN(CCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 446077221 JHCCAQMLJGZDAR-UHFFFAOYSA-N 417.466 0.786 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(C3CC3)C2)cc1 448431508 RITDTPJPOVINJU-UHFFFAOYSA-N 406.464 0.222 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)ccc2OC)c1=O 461343122 JQHMIXHDJRXYNW-UHFFFAOYSA-N 419.478 0.733 30 20 HCED CCC(CC)(CNC(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 467286412 UYBQDKYETXFTQG-QWHCGFSZSA-N 412.458 0.226 30 20 HCED N#C[C@@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@]12C(=O)Nc1ccccc12 468947643 KJRXQRWAITTYLO-PEBXRYMYSA-N 416.441 0.503 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 471796129 BTRLRGNZVBKLDF-LBPRGKRZSA-N 407.452 0.440 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C(C)C)N3CCCS3(=O)=O)CC2)c1C#N 472266386 WLUQUMRSHAMGRT-MRXNPFEDSA-N 408.528 0.309 30 20 HCED N#Cc1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(Br)c1 481146638 UBWSTIDYRJNTDB-HOTGVXAUSA-N 414.325 0.596 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OC 481775044 DDVFZPYRDOWQJF-YOEHRIQHSA-N 416.430 0.936 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)NCc2cccc(C#N)c2)cn1 483021933 QUQMUAOILVZNDA-SFHVURJKSA-N 401.492 0.863 30 20 HCED COC(=O)CC1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOCC1 488081681 WXMKRZIHBQHNOJ-UHFFFAOYSA-N 409.464 0.639 30 20 HCED CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC 497947275 XUJKIWSNRMGMCM-CQSZACIVSA-N 415.537 0.850 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)cc1 498495064 JYDLPYCFUCIQHX-SFHVURJKSA-N 420.535 0.530 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)Oc1ccc(F)cc1 504845628 JTMOAPAZLAROAU-HNNXBMFYSA-N 417.397 0.920 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506336465 DZJDISRTFKITID-KKSFZXQISA-N 422.526 0.640 30 20 HCED COCCCS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 507807029 HBBXJFGOKPVJOU-UHFFFAOYSA-N 404.496 0.842 30 20 HCED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCN(C(=O)CCOC)CC1 508491832 HZAVDXUSMHASHV-UHFFFAOYSA-N 402.455 0.672 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508645544 BDFFORSAVQROGL-RTBURBONSA-N 415.494 0.388 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 509948797 LUQSGURDVBVCDH-MRXNPFEDSA-N 423.539 0.916 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 511248449 BVJIXJHZVDVSDK-UHFFFAOYSA-N 412.837 0.993 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCS(=O)(=O)C1 512871996 INHFHOBZSIHFQB-LLVKDONJSA-N 405.411 0.467 30 20 HCED C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)CC1 520333438 YZNCHIMLLDTDDB-HNNXBMFYSA-N 407.492 0.869 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(C#N)cc2)c1 522753602 VHICCMCJFJGZNY-UHFFFAOYSA-N 409.489 0.961 30 20 HCED CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 527088631 BPUMQLKEIYDERI-UHFFFAOYSA-N 417.857 0.906 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)nn1 554986598 VZHVPPZPHFMKHI-UHFFFAOYSA-N 408.418 0.689 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1 558563631 QEDDVZJDONRFOB-UHFFFAOYSA-N 410.459 0.981 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1nnc2n1CCC2 559555496 KCMFAJLFLFYQEF-NVXWUHKLSA-N 407.478 0.638 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 559566548 PQKJXUWJNYENSZ-RTBURBONSA-N 415.490 0.873 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2n[nH]c(CO)n2)CC1 559616748 WCWWJYNLMHWXND-UHFFFAOYSA-N 415.435 0.858 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 559635136 LWODWLXTIUIZTE-UHFFFAOYSA-N 400.405 0.790 30 20 HCED COCC[C@@H](C)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 560964196 RNVOLUPSFWMSDO-CYBMUJFWSA-N 401.423 0.996 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1F 569373445 ZYQHAQCGQLNJNJ-NSHDSACASA-N 417.401 0.792 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 577766084 ZLWBDGURDBGQTE-UHFFFAOYSA-N 412.450 0.520 30 20 HCED CN(CCC#N)S(=O)(=O)NCC(=O)Nc1ccc(I)cc1 580472263 FXXDGEXIPVGANI-UHFFFAOYSA-N 422.248 0.910 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582024575 FCMJQDNWQFUWGV-QYZOEREBSA-N 410.474 0.873 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3CCN(CC(F)F)CC3)CC2)c1C#N 586838304 QWAOQBKGFLLOQV-UHFFFAOYSA-N 423.468 0.095 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)C2=O)cc1 588865172 XRQGIJKDZOMVTJ-BZSNNMDCSA-N 423.473 0.439 30 20 HCED C[C@H]1C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C(=O)N1c1cnn(C)c1 589892150 DSBOXYMFMYUWFO-YOEHRIQHSA-N 408.466 0.712 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828505 ZBIZWACMCGOYCG-UHFFFAOYSA-N 410.480 0.308 30 20 HCED CCN(CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)S(C)(=O)=O 609087995 OHTFOUGMJJRYSC-UHFFFAOYSA-N 418.422 0.886 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)n1 612849944 FFDSJFSQMSEZRT-UHFFFAOYSA-N 404.430 0.526 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OC)c2F)c1=O 619695687 KSUOPRIBOYFTSB-UHFFFAOYSA-N 405.451 0.343 30 20 HCED COc1ccc(C(=O)NCCCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732907919 GEDDQHDBYTXQBC-MRXNPFEDSA-N 421.475 0.171 30 20 HCED N#C[C@H](C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCS(=O)(=O)CC1 732911119 XDAAJBSROCWHEO-CQSZACIVSA-N 417.403 0.360 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(=O)CC)cc2)CC1 735923241 PHELBQKTTPDTDA-UHFFFAOYSA-N 406.508 0.481 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)CC1 735923987 ZCICDOWZKBVJFP-UHFFFAOYSA-N 406.508 0.399 30 20 HCED COC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737239406 JTZCCHOADHYCFS-ZHZULCJRSA-N 410.452 0.117 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)cc1 743935382 RZYFYIRVVTWMQK-INIZCTEOSA-N 421.479 0.015 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 745442471 VXFVRAABNINWQM-HASPWCBGSA-N 417.443 0.722 30 20 HCED Cc1cc(NC(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 745497105 RJRFUNRVJBIFDB-SNVBAGLBSA-N 406.420 0.982 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)OC)c2)CC1 749666310 HMJOMUDUCQPPRJ-UHFFFAOYSA-N 421.429 0.389 30 20 HCED CC[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749740247 AGLGETJHZTWTMJ-IQQDNESTSA-N 410.496 0.715 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cccc3cccnc23)c1=O 758076010 CWWGPXVGKXTTFQ-UHFFFAOYSA-N 400.463 0.896 30 20 HCED C[C@H](C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 767354190 SDEVIDXQBMQHFN-SCMZXRCUSA-N 423.425 0.758 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCCCC2)c1 769799001 QAVWOGOOSKYKCZ-UHFFFAOYSA-N 404.448 0.722 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc[nH]n1 772300955 TXXKZXFGCQLKSQ-VXGBXAGGSA-N 400.457 0.166 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cc(C)ccc3F)c2=O)cn1 772304583 VTRAIENSYOEHIS-UHFFFAOYSA-N 409.446 0.893 30 20 HCED CCCCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 773348196 HBJDWVMMTRUIGW-MSUUIHNZSA-N 401.423 0.842 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@H]1O 774407582 XEWZKDNHNUITHX-FNKULEBZSA-N 408.480 0.277 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 776144134 LSPUBDRCDKFHJZ-UHFFFAOYSA-N 421.522 0.378 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 777252135 NUVYPBRWDPFSLJ-FXUDXRNXSA-N 412.487 0.865 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(Cl)cs2)c1=O 782784741 XZHYGFLZHMXMKT-UHFFFAOYSA-N 407.904 0.524 30 20 HCED C=CCN(C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(C)C 783395433 FLQZFRVYSJCHOX-UHFFFAOYSA-N 408.524 0.984 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 783616938 SZYZLKDTBWZNEU-UHFFFAOYSA-N 407.539 0.083 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 784924971 XCPUYVOMRQRDTD-UHFFFAOYSA-N 405.476 0.759 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCN(CC)CC1)[C@@H]1CCCO1 787497863 AXHNYRPCYIHFNT-RTWAWAEBSA-N 412.534 0.737 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1nc(Cl)cc(NN)n1 789599521 PVZRXOVESLOJSA-UHFFFAOYSA-N 405.802 0.890 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)Cc2nc3ncccn3n2)cc1Br 790840400 WTPDJZHVOWYTQM-UHFFFAOYSA-N 421.236 0.806 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)C1=O 799177416 NNTSRVMRYWBEKD-HRAATJIYSA-N 413.478 0.594 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N(C)C[C@@H](C)C#N)CC1 800009270 LEEICEGLJPFBIN-AWEZNQCLSA-N 417.532 0.430 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 807401550 RCNLOVFLNAQQPG-GFCCVEGCSA-N 403.439 0.967 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCCO1 808902566 OFNNLSOWPZAATF-IAGOWNOFSA-N 406.527 0.026 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)[C@@H]1CCCO1 809313529 VDGSFBZOYGLBGY-ROUUACIJSA-N 417.437 0.172 30 20 HCED C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 810430167 YDZYYLONOSQSLI-UHFFFAOYSA-N 406.508 0.527 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)Cc3cccc(OCC#N)c3)ccc21 810697486 VXFWBRZDBVQVBS-UHFFFAOYSA-N 414.443 0.827 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 810988643 UZRNTPYFAMYTSR-UHFFFAOYSA-N 414.505 0.876 30 20 HCED C=CCNC(=O)[C@@H](C#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916916797 BZWPYDAKIVSTMX-HNNXBMFYSA-N 400.460 0.859 30 20 HCED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 917767401 IMLQBQJEDJQCID-UHFFFAOYSA-N 418.471 0.972 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(O)CC2)c1 918299350 OHXXTDVONDNOEA-SILNSSARSA-N 408.480 0.421 30 20 HCED C=CCOCCCC(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1073583481 VQPXZKUYBIFXSM-IYWGDAJJSA-N 403.523 0.748 30 20 HCED COC(=O)c1ccn(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1 1183324586 KMNOPTCXDTVFJV-UHFFFAOYSA-N 408.212 0.853 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3csc(S(N)(=O)=O)c3)CC2)c1C#N 1208402617 NFLSJXOCEVGEDE-UHFFFAOYSA-N 409.497 0.663 30 20 HCED 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COC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433363814 MIXSHCSEYYBKOE-UHFFFAOYSA-N 402.270 0.800 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)cn1C 435448494 WXXFAJBZYOCMOZ-UHFFFAOYSA-N 415.522 0.357 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)CC[C@@H]2C)cc1 439361816 BLLWOGAWWCYPSM-HNNXBMFYSA-N 408.524 0.984 30 20 HCED C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1CC(C)(C)O 444553997 UYGMIZWYSAOXKF-OAHLLOKOSA-N 408.524 0.796 30 20 HCED COc1ncc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C(N)=O 445611657 CHNLNAFXFFMZRS-UHFFFAOYSA-N 424.461 0.590 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC)c2=O)cc1F 447283733 XJSKCEIBCVQUKR-UHFFFAOYSA-N 419.478 0.733 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)ccc2OC)c1=O 461338701 BSKRWKBUGVGJJF-UHFFFAOYSA-N 417.462 0.439 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 465186602 GZVDDQZDZZCWSS-KBPBESRZSA-N 411.466 0.638 30 20 HCED C=CCn1c(O)nnc1SCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 470820571 LTPYGQSYTODFNM-JTQLQIEISA-N 409.493 0.887 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C[C@@H](C(N)=O)O1 471003197 CKAGWAVAFYZDDR-WBMJQRKESA-N 409.402 0.785 30 20 HCED CCN1CCN(CCCCNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472114546 FWDAEQOSWWNBIX-UHFFFAOYSA-N 416.574 0.850 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)=O)C2)cc1 473313863 YKSOBRWUHXEVGA-HNNXBMFYSA-N 408.480 0.169 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 474348993 IXNCHGSSIVDVPP-CQSZACIVSA-N 400.504 0.677 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 477187376 LDMMYVOOJYYNAX-UHFFFAOYSA-N 415.537 0.647 30 20 HCED CC[C@@H](C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 478812776 MJECOAITIHZRPY-HNNXBMFYSA-N 410.471 0.857 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 481251890 CUNIIEAGUALSKB-UHFFFAOYSA-N 411.524 0.993 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3c(=O)nc(O)c4ccccc43)C2=O)cc1 486021879 VZPAUEDKNGNZQG-QGZVFWFLSA-N 417.425 0.891 30 20 HCED COc1cc([C@H](C#N)NC(=O)Cc2cc(S(N)(=O)=O)cn2C)cc(OC)c1OC 486123814 FEOYMPKLEBIFQO-AWEZNQCLSA-N 422.463 0.622 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)cn1 497721731 UXPGYRRZNBFMCK-QGZVFWFLSA-N 422.493 0.121 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCCC(=O)OC 501765564 MEMSIRDGIHVARP-UHFFFAOYSA-N 417.512 0.730 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CC1 502040970 HQCVWEOMFCEJIZ-UHFFFAOYSA-N 401.492 0.024 30 20 HCED CN(CC(=O)N[C@@](C)(C(N)=O)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 502774423 OBBXULZTNRUHIP-LJQANCHMSA-N 400.460 0.696 30 20 HCED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)CC2)c(F)c1 506313520 WVLUNFKMNCSBEN-OAHLLOKOSA-N 423.514 0.945 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 508472569 REVHRKJYQHQMDC-JJMCWJMBSA-N 424.457 0.922 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3[nH]nc(C)c3C#N)cc2)CC1 508734999 CHRNEHIHMDLTHS-UHFFFAOYSA-N 416.463 0.695 30 20 HCED COC(=O)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1C(F)(F)F 511376563 HNKOEEBVYGYORY-UHFFFAOYSA-N 403.342 0.934 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC)c1=O 514644919 FXNBFAMKRAHKBB-UHFFFAOYSA-N 413.499 0.690 30 20 HCED Cn1c(=O)c2ccc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)nc2n(C)c1=O 517803372 OALGDQNVQRRUIC-UHFFFAOYSA-N 421.413 0.964 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1Cc1ccon1 532194265 VRTGZNVPBSXZPA-UHFFFAOYSA-N 418.837 0.988 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(CC#N)ccn2)c1 532434476 ZHCAKJHWXBMGEJ-UHFFFAOYSA-N 403.464 0.979 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC3(CO)CCOCC3)n2)c(F)c1 542071540 LWZUAUJOWHSZKS-UHFFFAOYSA-N 401.398 0.727 30 20 HCED C=CCn1c(Cc2noc(CCNC(=O)CC(C)C)n2)nnc1N1CCOCC1 546349483 UNVQYVPKVAVQKG-UHFFFAOYSA-N 403.487 0.979 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(N)=O)c1 548574773 BSCXKXKBEVIZAX-CABZTGNLSA-N 416.253 0.660 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1C1CC1 549550524 IWCXWTUESDYXQI-UHFFFAOYSA-N 413.503 0.283 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCO1 550384636 QNGXYXZHFTUTMJ-ZDUSSCGKSA-N 404.224 1.324 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 551011168 VJAAUEJUJUWDSK-UHFFFAOYSA-N 424.454 0.713 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 555914672 ZCZMTAVELQRBNX-UHFFFAOYSA-N 419.526 0.514 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(CN(C)C)c3)CC2)c1C#N 556248728 JYHRJGLTJAJXPI-UHFFFAOYSA-N 423.521 0.627 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)CC1 561412865 GZTSXKVHOIEIIG-UHFFFAOYSA-N 410.469 0.689 30 20 HCED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 577556955 PRUHJSJTYLSFQL-QXAKKESOSA-N 418.519 0.942 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)(F)F 578089385 KOJBEOVAQLZFBR-LBPRGKRZSA-N 406.386 0.227 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCN3Cc4ccccc4C3)CC2)nc1 585775855 AMYYUGSNIXORHA-UHFFFAOYSA-N 404.474 0.734 30 20 HCED COCCO[C@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654750 RJVULKBGIHKCPS-SFHVURJKSA-N 415.494 0.692 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCc2c(OC)cc(OC)cc2OC)c1=O 603908648 FCCHLSMHMCVIMY-UHFFFAOYSA-N 402.407 0.244 30 20 HCED Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 610561519 LXJBXMLMOUHHJF-UHFFFAOYSA-N 419.423 0.738 30 20 HCED CC[C@H]1CO[C@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610863150 SDIJSQVALWAMJN-AEFFLSMTSA-N 420.535 0.890 30 20 HCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 611538820 BLHQEAPFCHUKPH-UHFFFAOYSA-N 406.917 0.067 30 20 HCED COc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)N1CCCC1 618866114 QJZRWJFRSWJEPG-GOSISDBHSA-N 424.454 0.882 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2OC)C1=O 726042197 FRBMRERDVUZOIT-ZDUSSCGKSA-N 417.418 0.735 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2sccc2NC(=O)c2ccncc2)CC1 728531245 FAKVLSSHKDTJCY-UHFFFAOYSA-N 411.487 0.903 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@H]2CCN(c3cnn(C)c3)C2=O)ccc1F 732324350 XZSGZNZKNTWBMN-HNNXBMFYSA-N 422.438 0.986 30 20 HCED Cn1cnnc1CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 732763626 NESQZFRMYMQTPB-UHFFFAOYSA-N 404.496 0.773 30 20 HCED N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909658 DIYOGTQCUKEVTK-IAGOWNOFSA-N 417.487 0.505 30 20 HCED Cc1nc2ccnn2c(C)c1CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732909936 JJHYZZGSPDKDAC-OAHLLOKOSA-N 403.464 0.245 30 20 HCED C#CCN1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 733163119 FXRSXRKUYLBWLZ-UHFFFAOYSA-N 422.230 0.658 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)n(C)c2n(C)c1=O 733177407 JZMXSDVWSJFOKQ-UHFFFAOYSA-N 403.402 0.885 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCC[C@H]1S(C)(=O)=O 741591411 LZJWKFJFHKBGKF-UKRRQHHQSA-N 413.521 0.539 30 20 HCED CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749774123 CNWQAYLNNSUVEF-LQFHHUIYSA-N 422.507 0.933 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccc(C#N)[nH]3)C2)CC1 752031495 YHYZANXEBANZAW-UHFFFAOYSA-N 423.495 0.593 30 20 HCED C#CCOCCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 752757809 JLZSVVWLGYGEMO-UHFFFAOYSA-N 410.496 0.545 30 20 HCED CN1C(=C2C(=N)N(C[C@H]3CCN(S(C)(=O)=O)C3)CC2=O)N(C)c2ccccc21 753645731 QADCZBFVQJZPEL-CYBMUJFWSA-N 403.508 0.928 30 20 HCED Cn1nc2c(c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCC2 755548792 QZVZRUZROBQKFE-RISCZKNCSA-N 402.455 0.723 30 20 HCED CC(C)NS(=O)(=O)c1ccc(NN=Cc2cnc(N3CCN(C)CC3)nc2)nc1 755644749 IWKLQPONZXOMAS-UHFFFAOYSA-N 418.527 0.756 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 757157051 OEGWGIUPGFCNBV-KBXCAEBGSA-N 418.461 0.506 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758059687 SBGACVUKEPEHIF-UHFFFAOYSA-N 418.478 0.549 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 765354231 UMWZKLFVHLACCA-CQSZACIVSA-N 402.476 0.213 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1C 765529721 NQVLMYZUTHFXLY-UHFFFAOYSA-N 422.488 0.580 30 20 HCED C[C@H](OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)N(C)CCC#N 767535869 CIYQOQYMIVUTGP-INIZCTEOSA-N 401.467 0.814 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(Cc3ccc(F)cc3)c2C)CC1 767879334 BYJWTEBSQUGPRQ-UHFFFAOYSA-N 412.469 0.671 30 20 HCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1=O 771080943 SMSQUSPAJOEOGK-QGZVFWFLSA-N 422.438 0.733 30 20 HCED C=CCS(=O)(=O)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 772713724 VAIDCDDBXFOOMH-UHFFFAOYSA-N 402.494 0.272 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)Nc1cccc(C#N)c1 786359652 ZFNWKXCCCPTJMM-XPXIOPGQSA-N 411.414 0.981 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 787778190 PGRQUURTVZFKMT-MRXNPFEDSA-N 400.483 0.052 30 20 HCED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 789369097 VSFVUMAYDAYSQM-QWHCGFSZSA-N 411.480 0.209 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C(=O)NCC)cc2)n1 789788426 JZZJRSPXLRLPLJ-UHFFFAOYSA-N 411.462 0.880 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccnc2-n2cccn2)n1 789789459 VYVLSVPYCFVQSX-UHFFFAOYSA-N 407.434 0.711 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 789809886 YHDWZJMELWJZHQ-CABCVRRESA-N 420.491 0.942 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)CC1 790181758 CIQOMQUMSQVPGZ-UHFFFAOYSA-N 417.531 0.784 30 20 HCED CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 793607533 RCDIAXWZPBDRIZ-OXJNMPFZSA-N 409.450 0.955 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)cn1C 794632250 GWUNJTHVAGGNNW-UHFFFAOYSA-N 410.529 0.023 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)n1 796141248 IJSUVKTUETZISH-UHFFFAOYSA-N 401.202 0.799 30 20 HCED C#CCN(CC#N)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 798803446 VECXORIZWGSRBA-UHFFFAOYSA-N 408.436 0.989 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)C(=O)NCCF)C1=O 799863140 PQCIRJMXMLKHSV-ZWNOBZJWSA-N 423.470 0.327 30 20 HCED CCS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC)CC1 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30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncn4)C3)C2)cc1 1829902624 VCSKWXZMVQRMTB-JOCHJYFZSA-N 421.457 0.661 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907287 FSYAXHQNQNTURN-FOIQADDNSA-N 403.504 0.875 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832664707 YIQSHGQJWRAIEF-FOIQADDNSA-N 421.450 0.720 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)c1 1833121358 GMTJOYVJFRRLNX-JOCHJYFZSA-N 421.457 0.661 30 20 HCED COc1nn(C)cc1C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)S)CC2)CC1 1834082919 HFIACGBNJUAYIL-ZDUSSCGKSA-N 409.556 0.932 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834295178 JDXDDKCWGBEFFR-IYHCKTHZSA-N 416.482 0.018 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834420888 SEDDUBZXEIBNNO-OXJNMPFZSA-N 406.483 0.390 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)C1 1834753078 ARCDNXJABZRAAM-NRFANRHFSA-N 411.414 0.777 30 20 HCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)ccc2c1OCCO2 1834758028 GEXTUGNGOPSTSC-OAQYLSRUSA-N 415.446 0.750 30 20 HCED C#CCCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835077512 GQDMGKVVBJRQMY-UHFFFAOYSA-N 415.494 0.877 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335598 MBPSLPGZOFKLGB-SUMWQHHRSA-N 408.417 0.968 30 20 HCED CN(C)c1ccncc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835354494 ZJKOXXXFLZEXAT-HXUWFJFHSA-N 401.467 0.521 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835531148 OVJBJTGLOXQCRS-IERDGZPVSA-N 400.479 0.417 30 20 HCED C[C@@H](NC=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836403956 UXXBKSLRZMQUMA-CQSZACIVSA-N 400.483 0.206 30 20 HCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)Cn3nccn3)CC2)CC1 1836421999 OYVAPOJAESADPU-UHFFFAOYSA-N 406.556 0.769 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1837664072 COLJGZHTFGQHAX-HXUWFJFHSA-N 406.483 0.311 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838375997 SXOPWVKYFAZPDF-AUUYWEPGSA-N 421.454 0.053 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838816811 UHPUOMOTRGOXRS-DYESRHJHSA-N 405.495 0.995 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838835522 LXGYRMRIPNWRLZ-YWZLYKJASA-N 406.483 0.711 30 20 HCED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905895 FCEVDUUCRWWZBO-OAQYLSRUSA-N 400.479 0.580 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC)C2)C1 1839172573 VPJLMMARNAEUBE-FQEVSTJZSA-N 412.483 0.377 30 20 HCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1 1839478192 HSEFPXREOQNBLG-OAQYLSRUSA-N 424.461 0.559 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccnc1C)CCO2 1839716907 HWHPCGLWSAVXCH-OAQYLSRUSA-N 402.495 0.842 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OCC)cc3)C2)C1 1839809427 OZUQEVWYWSUPRT-NRFANRHFSA-N 400.431 0.567 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1839846205 LWRGRUWIAMFHQW-YSSFQJQWSA-N 412.483 0.271 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1)C(F)(F)F 1839892844 CWMBOUMGLXLJJR-DYVFJYSZSA-N 421.416 0.428 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCO3)CCO2 1839997678 AEJXVPFPACSBMJ-JOCHJYFZSA-N 413.474 0.924 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3Cl)C2)C1 1840041600 WRGNPJZMRCFBRI-HXUWFJFHSA-N 420.849 0.427 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(F)c3F)C2)C1 1840043197 JLFQJARSFISZOR-LJQANCHMSA-N 408.357 0.123 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840050818 UAQXHKRXCZBXFR-MVVOQFOESA-N 423.510 0.811 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840159887 PXMAWLLGJXNSHK-DJJJIMSYSA-N 408.524 0.677 30 20 HCED CC(C)/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840624841 LLPXDIDEHMEERD-BXKJMJEDSA-N 406.527 0.937 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(F)n4)C3)C2)CCC1 1840814658 UXLXKTVGWCVTOQ-FQEVSTJZSA-N 402.426 0.985 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1)C2 1841582159 KXDISSDSDYFTIZ-CQSZACIVSA-N 404.492 0.703 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(N3C(=O)C=CC3=O)cc1)C2 1841602648 UGBMSVGNJDPMRL-INIZCTEOSA-N 421.453 0.971 30 20 HCED O=C(NCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)c1cccnc1 1841969863 YEEXZVWAQKZKFQ-ZVHZXABRSA-N 412.494 0.487 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O1)C2 1845960576 PSGBILLOBIXPKU-OAGGEKHMSA-N 403.479 0.847 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1846088381 FCKUNJGZUNLHCL-UHFFFAOYSA-N 407.515 0.996 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC=O 1847939742 FJXLSIIGDTYDIT-VGWMRTNUSA-N 408.499 0.792 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848164787 WLIQMMQRZGDKMF-GJZGRUSLSA-N 405.411 0.503 30 20 HCED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2cccc(F)c2C#N)CC1 29857139 RRSWCMDOTLYQMO-GFCCVEGCSA-N 414.441 0.070 30 20 HCED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cc1 42087544 OAKIIRACLJKSBS-UHFFFAOYSA-N 416.459 0.738 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 57861026 AVXLBHLYCSQGAZ-UHFFFAOYSA-N 416.525 0.602 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCO1 409498453 FJQRNFONNAMBPN-OCCSQVGLSA-N 418.397 0.869 30 20 HCED CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)N(C)C[C@H](C)C#N)cc1 409564815 DEGWAJXEMGHIBT-CQSZACIVSA-N 402.542 0.940 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2OC)C1=O 440256912 PHBOIOTVVZOJJK-AWEZNQCLSA-N 424.479 0.251 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 441968911 LVNOQQKZIMEJGI-INIZCTEOSA-N 408.524 0.714 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1OC(F)(F)F 443347345 OIERLSZTCSQBBX-LLVKDONJSA-N 420.369 0.675 30 20 HCED CCO[C@@H]1C[C@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 444569863 KDVHOZKQBZHJFJ-VVFCZOMOSA-N 409.508 0.907 30 20 HCED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1C(=O)N(C)C 446526060 FOBDBPRLVAPKRE-UHFFFAOYSA-N 415.494 0.710 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 475678882 KRWUBZBCEDUBPW-LLVKDONJSA-N 422.371 0.783 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 478710439 GWKREZLJUSUCBA-UHFFFAOYSA-N 423.429 0.452 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 480927209 NJYMRDKBQWJBHW-UHFFFAOYSA-N 407.542 0.595 30 20 HCED C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 481781606 QLVRWAGIKRADEX-UKRRQHHQSA-N 404.419 0.671 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1OCCO 482832643 BQEQTAFMAZZMCC-CQSZACIVSA-N 403.460 0.913 30 20 HCED Cc1ccc(C(=O)N(CC(N)=O)Cc2ccccc2)cc1S(=O)(=O)NCC#N 486171356 FVBDTFJMEASNDP-UHFFFAOYSA-N 400.460 0.925 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)nc1 488400142 RQUXMIHTYBSIGW-MRXNPFEDSA-N 411.466 0.901 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4CCOCC4)C[C@@H]3C)CC2)o1 488691107 VZDLTWUERVPKBD-INIZCTEOSA-N 416.526 0.688 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)CC1 491076058 KNBZBUDLMZLRGJ-UHFFFAOYSA-N 401.511 0.916 30 20 HCED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cn1 504023280 NIUJNJLVCMDQON-UHFFFAOYSA-N 410.887 0.887 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H]1c1cnn(C)c1 505510096 MSSTTWJKKNWFPR-SJORKVTESA-N 406.446 0.169 30 20 HCED C=CCOc1ccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC 506181090 YCHOSRFFXWCXQM-UHFFFAOYSA-N 403.479 0.763 30 20 HCED N#C[C@@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C[C@]12C(=O)Nc1ccccc12 513594221 RNSFTXJTMBSWAW-USGALAMMSA-N 416.437 0.989 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)NC2(C#N)CCN(C)CC2)cc1OCC 517580397 VBFVGRDBECIOSA-UHFFFAOYSA-N 424.523 0.866 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1 518605231 VVIQXJUKQZYFCR-CYBMUJFWSA-N 404.489 0.637 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 521731308 SHVNHHXGDIIBLR-MRXNPFEDSA-N 408.524 0.547 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1=O 523697033 HJDKHSDHZHUSOR-UHFFFAOYSA-N 414.462 0.236 30 20 HCED Cc1ccc(NC(=O)CN(CCC#N)CCN2CCOCC2)cc1S(N)(=O)=O 533309302 DXPMFZGEMVEBPJ-UHFFFAOYSA-N 409.512 0.129 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 544439920 FEXGFJFHHFXBSH-XJKSGUPXSA-N 407.902 0.884 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)nc2)CC1 550889221 CKNPULPKLYUXHR-UHFFFAOYSA-N 419.489 0.913 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)Nc1ccc(C#N)cn1)C2 551247259 UFJLTNIIYKZANU-UHFFFAOYSA-N 413.459 0.727 30 20 HCED C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 554694016 AYELIMSEXLITKO-CCKFTAQKSA-N 409.490 0.374 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 557830278 QJKNLKJXHMSUBD-UHFFFAOYSA-N 417.495 0.824 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 558005348 MPLINCXOLJRVIF-UHFFFAOYSA-N 403.483 0.054 30 20 HCED COC[C@@H](C)n1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3F)[nH]2)[nH]1 559050301 DRQDWTCJHJGUES-GFCCVEGCSA-N 411.397 0.708 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 559973331 YSYLUZNUFLVRGJ-UHFFFAOYSA-N 416.507 0.941 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 561069467 WNHWSQCCFHWTBK-HNNXBMFYSA-N 404.496 0.643 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 562165177 VDYXWWGDYHLHIW-MSOLQXFVSA-N 406.508 0.596 30 20 HCED C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NCCN1CCCCC1 579089351 QQLOEKTYTGOELP-MRXNPFEDSA-N 420.535 0.580 30 20 HCED CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)cn1CCOC 581332595 QORVEJZSSFMZQS-UONOGXRCSA-N 406.439 0.757 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 587648123 QXBMCCHWJJSVCC-PBHICJAKSA-N 401.467 0.301 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CC(=O)OC)CC1 602151381 FBLMNNRCHBQCFF-UHFFFAOYSA-N 405.499 0.742 30 20 HCED C=CCN(C(=O)c1ccc(CNS(=O)(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 607632689 KJTCDIHTXSJPBY-INIZCTEOSA-N 400.522 0.941 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c(C)c1 608911970 XPEPRUZOWPDNRZ-UHFFFAOYSA-N 424.526 0.574 30 20 HCED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cn1 609899330 UPZAWWJWQPKKRJ-UHFFFAOYSA-N 414.509 0.205 30 20 HCED Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(N)(=O)=O 610695080 UFHJOHPNIVXVAE-ZDUSSCGKSA-N 400.464 0.655 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4nc(N)ns4)CC3)CC2)nc1 610879728 DEHMDMWUVHXVMN-UHFFFAOYSA-N 413.511 0.888 30 20 HCED COc1ccc(CCNS(=O)(=O)CC2(C#N)CCCC2)cc1S(N)(=O)=O 612681254 QBLLQMVKOQQDLD-UHFFFAOYSA-N 401.510 0.888 30 20 HCED CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)c2)CC1 615632062 BEZRBUOFUZEGOH-FQEVSTJZSA-N 401.442 0.753 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCCN2CC(C)C)CC1 673275999 UPXQUDYJOGCSHD-GOSISDBHSA-N 407.559 0.060 30 20 HCED N#CCn1c(CN2CCN(c3ccc(C(N)=O)cn3)CC2)nc2ccccc2c1=O 725796752 WWELNTREQSZVAE-UHFFFAOYSA-N 403.446 0.736 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCOC2)c1 730072730 JDGGHMCSROAMSZ-HDOZFUISSA-N 408.480 0.733 30 20 HCED Cc1cccc([C@@H](CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC(N)=O)c1 732910792 SDNODZXUNMFGQC-LSDHHAIUSA-N 406.464 0.060 30 20 HCED COc1ccc2cc(NC(=O)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc2n1 737304881 DBXLSRPOAWBQIJ-ISLYRVAYSA-N 409.402 0.825 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc1ccc(C#N)cc1 745352855 BLUYWROYNGMXCA-GFCCVEGCSA-N 419.463 0.757 30 20 HCED COCCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCN(CC#N)C3)cc2S1(=O)=O 748320763 DKRIFQYIQWBEQM-CQSZACIVSA-N 420.491 0.443 30 20 HCED C[C@@H]1C(=O)Nc2cc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)ccc2N1C 750708025 JOHUKNGPPMNKLI-YPMHNXCESA-N 404.448 0.043 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 752437656 JSJYSDKZMATQCH-AWEZNQCLSA-N 422.484 0.650 30 20 HCED COC(=O)c1cccc(COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C#N 756193998 GQXDQPQLORIXSR-ZFPMVRGYSA-N 412.398 0.939 30 20 HCED CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 758775036 IWRBLMZLIWSJCM-HZSPNIEDSA-N 400.501 0.964 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 761025373 GNVXOHOUXRJILN-UHFFFAOYSA-N 403.414 0.089 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)oc2C)c1=O 767958605 MWGYHOZALSXBEA-UHFFFAOYSA-N 401.488 0.938 30 20 HCED COc1cc(OC)cc([C@H](O)CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c1 768080905 XDGTUORROBVAHG-MRXNPFEDSA-N 401.423 0.911 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 768722588 WVPJCZNFAUSVPG-UHFFFAOYSA-N 424.465 0.375 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2CCCN(CC#N)C2)C1=O 771584693 FOAUCTOGDZOKLL-QVKFZJNVSA-N 413.478 0.814 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC)[C@H]1CCCO1 773791410 BPFWYUODLCTULI-CHWSQXEVSA-N 420.418 0.735 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 773943450 OKZGISBQMGPCRC-RRFJBIMHSA-N 407.492 0.903 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786355526 LQJNVYAAWVYDTJ-LTDCPUDJSA-N 411.414 0.270 30 20 HCED Cc1nn(C)c(N2CCN(C[C@H](O)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 788276797 WDKYLWNCKQNIFB-SFHVURJKSA-N 403.508 0.859 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)c(C)cc1C)[C@H]1CCS(=O)(=O)C1 788337817 MJQAZBQCEYZYCQ-AWEZNQCLSA-N 406.460 0.677 30 20 HCED COC(=O)c1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)cn1C 790164168 MMAWZARZDCQIKY-UHFFFAOYSA-N 420.495 0.589 30 20 HCED C[C@H](CC(=O)OC[C@H]1CCCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 791972390 XPIUGTPIPDPHEW-CHWSQXEVSA-N 414.505 0.872 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 799179978 FMMBTCALYMHXED-NZSAHSFTSA-N 415.469 0.965 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)C1=O 799268618 RLJJZFITARBRLX-INIZCTEOSA-N 400.435 0.823 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnn(CC(F)(F)F)n2)c1 799462351 KEIJAZZPKYAXGK-UHFFFAOYSA-N 403.342 0.504 30 20 HCED COc1ccc(N2CCN(CCCNS(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 800000810 QEJACRJFKQFAIT-LJQANCHMSA-N 423.539 0.266 30 20 HCED CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 807299716 SBTDFRGGHAGDRC-CYBMUJFWSA-N 412.443 0.549 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCC(O)(c3cccnc3)CC2)nc1 809326022 HTMOVWNJFGRBSN-UHFFFAOYSA-N 408.462 0.823 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 810786314 CLTPOUGSOSSIKJ-GFCCVEGCSA-N 410.448 0.535 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(O)cc(C(F)(F)F)c2)c(=O)n(C)c1=O 811645588 SDVCPRKXCJXUEK-UHFFFAOYSA-N 406.342 0.121 30 20 HCED CCCc1nnc(SCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1N 813516446 IXOQOATZPKNGCX-NWDGAFQWSA-N 409.516 0.912 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)cc1 839262813 LUVBFRFAZZNSOW-UHFFFAOYSA-N 421.482 0.423 30 20 HCED CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 915778377 YNWBEJWNCCHYJU-UHFFFAOYSA-N 416.463 0.370 30 20 HCED C=CCNC(=O)NC(=O)CN1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@]2(C)C1 1101305174 HUWJSKRWQUJCMH-BKVDXYBESA-N 402.495 0.202 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1286960925 REUUQQJBCDJFFA-HUUCEWRRSA-N 423.543 0.534 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccnc(C#N)c2)c1 1297367002 WHDJCHHMAPZJIR-UHFFFAOYSA-N 401.448 0.250 30 20 HCED CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C1 1298881778 KITUOPXROKKCGJ-QFIPXVFZSA-N 423.521 0.975 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1302955097 XWXDWTXNDZRMMB-QFBILLFUSA-N 422.555 0.203 30 20 HCED N#CCOc1cccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1 1318521122 HRWMWBMCUCIBNG-UHFFFAOYSA-N 401.467 0.275 30 20 HCED C#CCN1CCC(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC1 1318966788 AQDQAKUWTOQKPM-UHFFFAOYSA-N 404.555 0.409 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(CC#N)cc2)C1 1320725638 LVRSVRDAYRAMSG-KRWDZBQOSA-N 415.537 0.814 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1324072676 PGTRPUXSZLDZJI-LPHOPBHVSA-N 419.507 0.521 30 20 HCED COCc1noc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1338563671 GLSFSFUWZWTYIQ-MRXNPFEDSA-N 424.461 0.785 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC1CCCCC1 1509697083 RHZASUWERIHOSG-INIZCTEOSA-N 417.514 0.984 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)on1 1519165331 OJSLFTKKSGYXIL-AWEZNQCLSA-N 408.484 0.891 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](n1cncn1)C(F)(F)F 1535042546 FXCIEWBTGVIKMV-NSHDSACASA-N 402.358 0.236 30 20 HCED CN1CCC2(CC1)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1O2 1631202993 NDBZWNQTXZRHFN-INIZCTEOSA-N 409.446 0.925 30 20 HCED CCN1CCN(CC(C)(C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1638222388 VQAAWLLPOBDBKW-UHFFFAOYSA-N 407.540 0.369 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 1670762874 JGYXEKLKECCDPA-CQSZACIVSA-N 409.512 0.856 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC1CC1 1692785092 PVZLZWLKIUMVNL-ACJLOTCBSA-N 423.543 0.545 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1706822555 PIBCZHBCGAYQFP-MRXNPFEDSA-N 409.494 0.721 30 20 HCED CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1727606054 QLZXOLWKFPFBOG-UHFFFAOYSA-N 403.512 0.588 30 20 HCED CS(=O)(=O)CCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1731004106 BYNLWGPOCBKBRE-OAHLLOKOSA-N 416.511 0.346 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1761554621 UNZLCWGJZQHYGU-ZIAGYGMSSA-N 406.512 0.794 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CCO1 1767712879 LMGDKGOOSLMWTI-MRXNPFEDSA-N 407.438 0.060 30 20 HCED CN1CCN(CC(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1778256972 AUYNMUOQMLIRDK-QHCPKHFHSA-N 410.518 0.115 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=C\C(=O)NC4CC4)C3)C2)cc1 1778821816 CHFVWMXBIDAXJL-XBKFQHLESA-N 422.485 0.765 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@H]4Sc5ccccc5[C@H]43)C2)C1 1779050023 QLZKELWIXBLXBP-VNYTWHDVSA-N 412.467 0.792 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cccn1 1779069362 PYMSQARFADYYGT-AVRDEDQJSA-N 414.506 0.973 30 20 HCED Cc1nc[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101486 LIJOSABJGCNCEP-NFBUDXKYSA-N 405.455 0.691 30 20 HCED CN1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779428761 PTMFGWJWIYWYEN-RIWRRIAWSA-N 422.526 0.591 30 20 HCED CCc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1C 1779833001 PXDPKGKKUBCQRB-OAQYLSRUSA-N 416.526 0.708 30 20 HCED COCc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1780074606 KHRMRXAACRBBRO-OAQYLSRUSA-N 417.510 0.886 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4nccn34)C2)C1 1782357779 TYKONUVAOSBQLZ-ICTHTSFCSA-N 423.473 0.636 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783517064 POALNSSDWXOWOQ-SIFCLUCFSA-N 411.499 0.667 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)C(F)(F)F)C[C@@H]21 1784504357 BAIFGHCRKBLLKE-RFGFWPKPSA-N 421.416 0.236 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCn4ccnn4)C3)C2)c1 1784533210 RSDNRGLANIJWFU-OAQYLSRUSA-N 408.462 0.992 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376250 NIAXQPYCFNWAOX-HTAPYJJXSA-N 411.458 0.805 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN(C)C)CCO2)C1 1785575147 YYRTYDIGRLLIKB-IERDGZPVSA-N 422.526 0.295 30 20 HCED CC#CC[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1)c1ccccc1 1785628729 AFYFTCKRERITTL-GCJKJVERSA-N 412.490 0.682 30 20 HCED COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1787468456 GAEQHFKNOKRIIG-JONQDZQNSA-N 424.498 0.419 30 20 HCED Cc1nc2ncccn2c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1787982736 LJFCLBUGDBWRCJ-QPSCCSFWSA-N 403.508 0.949 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 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N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H]3C[C@@H](O)C3)c2c1 1797150659 UEBLSMJGOTUTBB-VCBFHFRLSA-N 409.446 0.409 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 1797435132 HFPSJJXDXLTBRS-ZXFNITATSA-N 404.467 0.460 30 20 HCED Nc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)s1 1797783287 KQYWIYYKGIRJHR-XOIINTDNSA-N 418.519 0.627 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1F)C2 1797811690 RPLVPRISYJRXDL-SXDNJMQMSA-N 420.441 0.953 30 20 HCED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1799293459 SJYQYMOHKOMWHY-MBMVNNNZSA-N 404.854 0.549 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C3CC(O)C3)C4)c2c1 1799883195 UTCMZFNEEHXWQZ-PJVYJWHNSA-N 409.446 0.409 30 20 HCED O=C(COc1ccc(O)nn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1800204391 FUXWWFFJSIEAAM-FAQVEIGNSA-N 422.441 0.202 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn(Cc3ccccc3)c1)C2 1800778072 ZOIQJAXTQUBGPW-RMFSNUHRSA-N 422.441 0.223 30 20 HCED Cn1cccc1C(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1801442967 VVWVMZZMJKSBTA-QZBFTGPVSA-N 412.446 0.510 30 20 HCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)c3ccccc3C1=O)C2 1801987154 MAKOIQHCGDYUFK-QDMKHBRRSA-N 423.425 0.399 30 20 HCED CN1CCN(CC(=O)N2CC[C@@H](CNC(=O)C#CC3CC3)[C@@H]2c2cccnc2)CC1 1803451507 WUWUEODYKSTFBM-REWPJTCUSA-N 409.534 0.748 30 20 HCED C[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)CN3CCS(=O)(=O)CC3)C2)CC1 1806702669 OYDZNTHFZUGFMR-OAHLLOKOSA-N 417.597 0.266 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2c2cccnc2)CC1 1812341149 CIBNSACAVZHKBF-QFBILLFUSA-N 406.446 0.648 30 20 HCED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814800551 MIWNCVNLSZOKSM-MNOVXSKESA-N 411.553 0.567 30 20 HCED C[C@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819777642 FWPZOHREYSBAKZ-RDFRODCOSA-N 406.512 0.661 30 20 HCED COC(=O)C12CC(C(=O)N[C@@H]3CCc4nc(NC(=O)C#CC(=O)O)sc4C3)(C1)C2 1825670421 BWYPQILQMWBUHB-RPEWGDSMSA-N 417.443 0.486 30 20 HCED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)CC1 1827271224 VFWBJGCUIPEOON-INIZCTEOSA-N 404.492 0.705 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830219828 FNMKYYKBDKGTEH-CTNGQTDRSA-N 404.463 0.761 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830774116 QWGFBMGCEPMILZ-RXVVDRJESA-N 415.494 0.441 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1831486767 HGJLXRCOYMQNPQ-FUHIMQAGSA-N 422.551 0.492 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(F)(C1)C3)CCO2 1831588400 CSKAEXVCDAMSOT-ASQXLIGLSA-N 422.501 0.807 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831603233 SPWPZMCHURTJTJ-VGSWGCGISA-N 413.474 0.006 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4nnc5ccccc54)CCO3)C2)CC1 1832202350 ZOXLRECBVGVKHW-NRFANRHFSA-N 424.461 0.191 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H]3CCCCO3)CCO2)C1 1832338531 LWYUHOCJJDSICD-OPYAIIAOSA-N 410.511 0.993 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cnccn3)CC2)CC1 1833465097 LIMLHDMARAHDQO-QGZVFWFLSA-N 413.522 0.629 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833834017 GZZCZYYICVLMMX-IFXJQAMLSA-N 421.454 0.053 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2 1834241854 MRLSSGBHKBBDFH-HXUWFJFHSA-N 406.483 0.473 30 20 HCED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1834411318 NQCVNUIALALUKU-VQIMIIECSA-N 410.540 0.927 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(F)cn4)CCO3)C2)CCC1 1834482096 WUBVZTKXWBAFIJ-HXUWFJFHSA-N 402.426 0.985 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599425 WATGXKMQRRVDNQ-ARJAWSKDSA-N 413.522 0.720 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)Cc3cscn3)CC2)CC1 1835047273 RMGAZXORYVCZFB-KRWDZBQOSA-N 404.540 0.498 30 20 HCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1836863820 MCXKPRSCRNMCIZ-UHFFFAOYSA-N 412.527 0.977 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838385455 XASCBECDNFKRKF-ZYSHUDEJSA-N 423.554 0.281 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnn5c4CCC5)C3)C2)c1 1838740490 NRSVAMPMRYBVHL-NRFANRHFSA-N 424.461 0.413 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCO3)C2)C1 1839176316 HUYJOJWPNLVDFY-JXFKEZNVSA-N 410.467 0.131 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)c(O)c3)CCO2)C1 1839264921 QKNPQGHPYXCTTL-JTSKRJEESA-N 416.474 0.809 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncnn3C)C2)C1)C(F)(F)F 1839892150 WMZKGJNENYATOC-HNNXBMFYSA-N 403.361 0.004 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@H](C(=O)OC)C3)C2)C1 1840175965 OYPICCRZAHOPIN-LLGFUMIMSA-N 408.495 0.998 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)C(C)(C)C#N)C2)[C@@H](O)C1 1841137932 BOLVFYDYOUYEQQ-GJZGRUSLSA-N 420.510 0.967 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1845253032 KCFNQEZZUIJKAP-YNEHKIRRSA-N 409.512 0.793 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823678 FPTKQQQRINHAEI-UHFFFAOYSA-N 418.450 0.943 30 20 HCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1846212011 BPMQGMVOTJZKEL-CYBMUJFWSA-N 408.455 0.560 30 20 HCED CCN1CCN(c2ccc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cc2)CC1 1846898469 NGHVOWAUOVCVCW-UHFFFAOYSA-N 424.501 0.734 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)C3(C#N)CCC3)C2)nc1 1846972359 XJHNPHMOSDKQFW-UHFFFAOYSA-N 402.476 0.996 30 20 HCED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NCCC#N)c1 16818312 RNUWTRYHLDHFOC-UHFFFAOYSA-N 403.844 0.451 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\C[C@H]3CCCN3S(C)(=O)=O)NC[C@H]2C1 305250654 JYDVDNNTLSHXID-KGLIPLIRSA-N 401.533 0.291 30 20 HCED COc1ccccc1NC(=O)C1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409568839 AGTLUWKNDIFVLC-HNNXBMFYSA-N 408.480 0.815 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1Br 433006307 GHCGUXUKTQEGPG-CQSZACIVSA-N 415.313 0.939 30 20 HCED C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433885418 NZHAPIIHRNDIPH-JTQLQIEISA-N 402.270 0.534 30 20 HCED CN(CC(C)(CO)CO)C(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 440693174 MYFQPSDTTGWPOL-UHFFFAOYSA-N 403.357 0.887 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442515938 XFKQDYAYBBDFKT-QWHCGFSZSA-N 401.398 0.820 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)nn1CCC#N 443666842 VGDVJRGBNSJGBC-MRXNPFEDSA-N 400.483 1.484 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)n1 445165905 MEUIIRXEYPGXHP-UHFFFAOYSA-N 424.436 1.292 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 447041470 XXFJNMZDPWDRGM-JKSUJKDBSA-N 409.498 0.971 30 20 HCED C[C@@H]1CN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCCO1 470087817 SPJZSMOUGFHJRT-MRXNPFEDSA-N 408.524 0.796 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)o1 471669779 BTDGUSMMYLDMEX-UHFFFAOYSA-N 406.468 0.372 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 472638230 PDDJWKQUSJRTEK-BFUOFWGJSA-N 411.443 0.475 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 481248634 CYLILDODCWHITM-XJKSGUPXSA-N 422.532 0.749 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 488175013 AETXNLYAGSBEPY-OAHLLOKOSA-N 403.549 0.371 30 20 HCED N#Cc1ncc(OCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cn1 488741886 CTTMVRCOYBMNAJ-UHFFFAOYSA-N 417.447 0.064 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490331489 JGLQFCVDHGVQPK-UHFFFAOYSA-N 401.408 0.899 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2)CC1 491488153 VCPPTNGTTPLZJB-UHFFFAOYSA-N 414.441 0.396 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 498985581 PMZSETVZZXWXFL-BHIYHBOVSA-N 420.535 0.097 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502006153 SPMZHPIQTMQOHN-MRXNPFEDSA-N 413.521 0.682 30 20 HCED COc1cnccc1[C@H](C)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 503012647 XGHAVFKGGGTAQF-ZDUSSCGKSA-N 411.466 0.530 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3CCCS3(=O)=O)C2=O)cc1 503234384 VWFXREJMBRIFNY-INIZCTEOSA-N 405.480 0.388 30 20 HCED Cn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N1CCO[C@@H](C#N)C1 507862275 JRGIJJQTJWGWMD-HNNXBMFYSA-N 418.479 0.232 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508705579 JYBMEGACUUJWOS-QGZVFWFLSA-N 406.531 0.933 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c1=O 512719602 DGWJRDFRRKRHAO-UHFFFAOYSA-N 405.549 0.517 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N=c1cc[nH]cc1C#N 518027055 ZARRDYKQDANBES-UHFFFAOYSA-N 402.432 0.657 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCO[C@H]3CCOC3)CC2)c(F)c1 519128138 DUGLANROPPELDF-INIZCTEOSA-N 404.442 0.658 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(N)=O 538495730 YFUORZGXAAEPNJ-NSHDSACASA-N 414.487 0.225 30 20 HCED COC(=O)c1sccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 542340539 IHNYASGAGYALOH-LLVKDONJSA-N 414.447 0.872 30 20 HCED C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1C 542997679 DMHWLTOPDZFBCD-ZIAGYGMSSA-N 414.441 0.735 30 20 HCED COC[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 543482784 RLIGIQISOGNXIR-QGZVFWFLSA-N 406.508 0.406 30 20 HCED C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(N)=O)C1 549326770 RNRGCZSKRUWFBG-HNNXBMFYSA-N 405.480 0.615 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 552958492 RKVVMLHIYVWUOQ-MRXNPFEDSA-N 413.478 0.054 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCCO[C@@H]2CCOC2)CCN1Cc1ccccc1 554698983 JKKLSTIMGFCYFV-RTBURBONSA-N 400.479 0.535 30 20 HCED Cc1cccc2c1OC[C@@H](NC(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2 562159243 KVUOBEKHDYNRBQ-SFHVURJKSA-N 416.441 1.565 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 566943988 QUJYVYQOGDWGBN-UHFFFAOYSA-N 410.481 0.734 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CCC(N)=O)nnc12 571429627 RSIQNJKMXFZGLK-UHFFFAOYSA-N 400.464 0.656 30 20 HCED Cc1nsc(N2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 573530574 YQHQYGCXEQOZHD-UHFFFAOYSA-N 420.520 0.735 30 20 HCED C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659384 MTLBBZCLGFFRGQ-CQSZACIVSA-N 414.510 0.800 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1OC 589477755 IQGKKXGRKCNRPV-MRXNPFEDSA-N 424.523 0.674 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OC)c1=O 603793677 VVRIIBIQRVWJPX-UHFFFAOYSA-N 411.483 0.466 30 20 HCED CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 610607754 ZROWLGWYZAFTKN-UHFFFAOYSA-N 408.480 0.802 30 20 HCED C[C@@H](c1ccccc1)n1ccc(=NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)[nH]1 610748090 MSZMYBVUIYBQBO-ZDUSSCGKSA-N 406.450 0.779 30 20 HCED CC[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 612491923 AFLIAEVZORLXOB-ZWKOTPCHSA-N 420.535 0.938 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)C1=O 623216523 ZIAKGWROAXOTMU-UHFFFAOYSA-N 418.837 0.601 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 685170036 ROODYKJWKNBBCP-YOEHRIQHSA-N 411.462 0.911 30 20 HCED C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 728794789 OEUXMIXYZXDQFE-NRFANRHFSA-N 405.414 0.741 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCC[C@H]2O)CC1 730083820 XEENEUGUFKAIAZ-HZPDHXFCSA-N 406.508 0.173 30 20 HCED N#Cc1ccc(NCCNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)nc1 732057592 MBDQOJHSHCLQQO-KRWDZBQOSA-N 400.483 0.195 30 20 HCED Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1ccc2c(c1)OCCO2 732154817 UYYXIUPAABQRPJ-ZZEZOPTASA-N 424.417 0.603 30 20 HCED C#CCNC(=O)c1ccc(NCc2ccc(S(=O)(=O)NCCOC)cc2)nc1 732912576 RYFQNERFUZDMAO-UHFFFAOYSA-N 402.476 0.981 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741210854 DBGYYFLQFCXRSK-SFHVURJKSA-N 405.543 0.348 30 20 HCED C[C@@H](CC(=O)NCCCN1CCCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742671693 IYTLQBLRJHDIDT-INIZCTEOSA-N 421.567 0.648 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)ON=C(N)c2cccnc2N2CCCCC2)CC1 749791438 JMBUYDHEJOSNSZ-OAHLLOKOSA-N 402.499 0.788 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(N(C)C)n1 750252466 LFBHHFPHUBKYNH-CQSZACIVSA-N 408.466 0.794 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 752163530 ZUEIQSHUQKHKPR-CXAGYDPISA-N 403.435 0.918 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)Cc1ccc(O)cc1 757671266 JICMXKPSBRXVCB-AWEZNQCLSA-N 403.460 0.541 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cscc2Cl)c1=O 758054526 ZMEURPMRDBLKCQ-UHFFFAOYSA-N 407.904 0.524 30 20 HCED COc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763368708 KHOPTNUACBGPOC-MRXNPFEDSA-N 406.402 0.936 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 766784025 SEKVISCZELPBMO-UHFFFAOYSA-N 409.855 0.861 30 20 HCED CC(C)CNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767679612 IREBNGLRFGXMSP-LBPRGKRZSA-N 410.452 0.250 30 20 HCED C#CCN1CCN(C(=O)Cn2nnc(Cc3cccc(Br)c3)n2)CC1 768302690 KDURKCFWKDCONF-UHFFFAOYSA-N 403.284 0.804 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)c3nccn3C)C2=O)cc1 770866041 OQWFPIHDCXZHEF-VLIAUNLRSA-N 409.402 0.787 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3cnccc3c2)c1=O 782601823 WFCJEMPDVRXWPI-UHFFFAOYSA-N 420.494 0.886 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 783478046 ABPVIVHXDQENLE-QGZVFWFLSA-N 421.519 0.605 30 20 HCED C#CCOCCNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 784455310 YFRJJEVDHGNPRI-UHFFFAOYSA-N 402.270 0.568 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(C)(=O)=O)s2)c1 787357947 XVSFXXLDQJIITI-UHFFFAOYSA-N 412.514 0.993 30 20 HCED C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](CO)O1 787474559 DRCDJIBGYRUPCM-CABCVRRESA-N 409.508 0.894 30 20 HCED C[C@@H](CC(=O)NCC1(S(C)(=O)=O)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 794000103 YQVCTEPKPGFEJF-LBPRGKRZSA-N 413.521 0.587 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 798162874 NVAQUUAXDMKDSV-UHFFFAOYSA-N 416.415 0.609 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCCO1 803399289 MNYPRRQHULJFCB-FHWLQOOXSA-N 403.454 0.612 30 20 HCED COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805591333 RHJPLTUKEUNMDL-OCCSQVGLSA-N 406.414 0.928 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c(F)c1 807357174 KWKCJYMBMLHXDV-WYRIXSBYSA-N 404.373 0.864 30 20 HCED C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812388394 BAZDKJYETSJHIZ-WMZOPIPTSA-N 415.519 0.927 30 20 HCED CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cnn(CC(F)F)c3)c2=O)CC1 814250081 HGSFACZKZPNYGR-UHFFFAOYSA-N 404.446 0.665 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 816130171 BTGVAWZMGRRZDU-GFCCVEGCSA-N 418.387 0.913 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1cccc(Br)c1 856156132 NXUWLVPFVOHGQB-NSHDSACASA-N 417.281 0.799 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N([C@H]2CCS(=O)(=O)C2)C1=O 914557403 PMPGDNNKTMDPQU-FZMZJTMJSA-N 411.505 0.950 30 20 HCED Cc1cccn2c(=O)cc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)nc12 916486337 MEKQLHWWZHNXIU-UHFFFAOYSA-N 412.427 0.785 30 20 HCED CCCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 916878459 XJLUHWGAFXBOKL-OAHLLOKOSA-N 410.496 0.675 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN(C)C(=O)c1ccc(Br)o1 917422789 OHXWMPPNGBUMOY-JTQLQIEISA-N 400.229 0.976 30 20 HCED CN(C)C(=O)NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1141245174 YQPXBTYKXKNTIO-UHFFFAOYSA-N 407.496 0.377 30 20 HCED CN(Cc1nnc2c(=O)[nH]ccn12)S(=O)(=O)c1cccc(Br)c1C#N 1194264945 OUQJAMNTOCNJDQ-UHFFFAOYSA-N 423.252 0.872 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1208392213 NROISZALWLXQBA-UHFFFAOYSA-N 405.480 0.078 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1315044341 ZMAKXZBUAKKABV-OAHLLOKOSA-N 402.480 0.576 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)C1 1316531738 KMUVPMWZFUXMHO-RDTXWAMCSA-N 424.502 0.810 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)CC1 1318554728 IJMGGQUNTNNCNR-UHFFFAOYSA-N 421.519 0.143 30 20 HCED C=C[C@@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1321256264 HLSLTOFMSHSGFY-KRWDZBQOSA-N 423.535 0.925 30 20 HCED NC(=NOCC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(OCc2cccnc2)cc1 1322303874 NYRWFFPYNVKQRW-INIZCTEOSA-N 418.475 0.601 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)N(C)C4=O)CC2)o1 1322418831 UHVUFTCVEKUYBR-VBKZILBWSA-N 414.466 0.908 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3CCCOCC3)CC2)cc1 1470334416 JZUPTDNXANHZNK-UHFFFAOYSA-N 421.523 0.296 30 20 HCED Cn1cnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1=O 1672529342 UZVUJFNMZQYOMH-UHFFFAOYSA-N 402.436 0.190 30 20 HCED CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747449075 GMQDTABYJWFBKD-JMGYQRAPSA-N 407.544 0.361 30 20 HCED COC[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1)OC 1769258069 XINLAXOKCURRAH-SJORKVTESA-N 411.466 0.907 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1770729450 ZLUITDJBLWHBEE-SCLBCKFNSA-N 424.502 0.668 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C3(C#N)CCC3)CCO4)c(C)n2n1 1777787247 SOYVLEWFPJCXMF-OAQYLSRUSA-N 423.477 0.879 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)n2)C1 1778015150 JSCLYKHIZINZEV-XBHMSOGKSA-N 420.466 0.606 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4ncccc4n3)CCO2)C1 1778971623 LUSHWYRIYDNJLX-IIBYNOLFSA-N 413.478 0.746 30 20 HCED Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cn1 1779016400 UBWXWTVRBLLPST-IYHCKTHZSA-N 400.483 0.700 30 20 HCED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)C1 1779018725 DVCQTLDYMDNAIF-RZBRSOPZSA-N 405.543 0.630 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060723 IXIDFSHEJGOWKB-LRXVAGHRSA-N 406.523 0.922 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062828 QIJOOUTZBFRTNK-XYXUZSOXSA-N 418.490 0.634 30 20 HCED COCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1779100423 WDYHCWHXCXWHGG-MAETVRKBSA-N 409.483 0.772 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cnn1C 1779101959 VQKJRILXEWISBU-MDAVEZEFSA-N 419.482 0.701 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779204643 PLVIJIHPCYWRTF-QRWLVFNGSA-N 417.466 0.651 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1779442196 BUCDSVIBVWFQKN-JGXCRFDOSA-N 416.478 0.491 30 20 HCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1780091684 JBSIPCNOKCGTQO-IBGZPJMESA-N 400.391 0.887 30 20 HCED Cn1nc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)cc1O 1780178784 ABXJTQWRDSDROY-OXQOHEQNSA-N 412.450 0.767 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1780808346 YKIURLRCRAGNPW-AKCHCHLHSA-N 419.482 0.698 30 20 HCED Cc1n[nH]c(C)c1CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780827351 GRLAJLOSLCOSCM-OXQOHEQNSA-N 402.451 0.171 30 20 HCED 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HCED Cn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(Br)cn2)c1=O 488986765 VVCDJFFNFXJRBW-JTQLQIEISA-N 420.288 0.713 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 498220749 SBPLITQXSWMJCW-UHFFFAOYSA-N 422.283 0.540 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 499675989 MBNAODMJQAIAGG-SNVBAGLBSA-N 412.896 0.683 30 20 HCED COCCN1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1=O 500460599 YEDIUYSWBMCDTE-UHFFFAOYSA-N 423.267 0.967 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 501590451 AVLWUUWXDDBPAU-GFCCVEGCSA-N 416.450 0.671 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 501851440 CHNPBDVOVPDIQA-MRXNPFEDSA-N 400.526 0.138 30 20 HCED C=CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508881213 OVXFWCSRFFUGIX-MRXNPFEDSA-N 410.478 0.753 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2CC)c1=O 512770762 HBKGNXVCRJZRCO-UHFFFAOYSA-N 417.535 0.580 30 20 HCED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1 513645738 PKMLLYZTEWOIKB-UHFFFAOYSA-N 407.430 0.837 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H](C)S1(=O)=O 519849709 OBXVICTUDHGFNN-TXEJJXNPSA-N 419.438 0.856 30 20 HCED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 520669333 OTLCAVSGGMJFMG-HUUCEWRRSA-N 409.450 0.399 30 20 HCED CN(CC(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 524867836 WGGBIMBZHMMNFX-GOEBONIOSA-N 413.521 0.651 30 20 HCED CCC[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CCN1CC(=O)NC1(C#N)CCC1 525886560 VKLMDJBWUJYKEK-QGZVFWFLSA-N 400.527 0.898 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCCO1 536086233 JENWTMGDHZKTJV-QGZVFWFLSA-N 424.526 0.988 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)CC1 539250289 NDTDRLMGRLXRMZ-GOSISDBHSA-N 405.524 0.389 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 539251156 ULKFNLHMJQYGHJ-PMACEKPBSA-N 418.586 0.307 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 542061686 LFHLKIVATXDZTK-CQSZACIVSA-N 416.825 0.309 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2CC(N)=O)cc1 545902652 PABWJAJKFXOXPF-UHFFFAOYSA-N 418.434 0.554 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 555852759 IFDSYAOUHZPWTR-OAHLLOKOSA-N 407.478 0.618 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561706831 ITOZVXHYHDSEBK-FHLIZLRMSA-N 414.462 0.086 30 20 HCED N#Cc1cncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCC(O)CC3)c2)c1 564694374 WWXGWRKCONBHQJ-UHFFFAOYSA-N 422.488 0.899 30 20 HCED N#CC1(NC(=O)CS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCC1 574717769 GHKKOLUJCZINMG-UHFFFAOYSA-N 411.505 0.807 30 20 HCED CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1c1ncc[nH]1 583784354 YYRFRVPFSCVAGN-MRXNPFEDSA-N 402.480 0.465 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 588951057 PZAWQMNOCKLUFS-INIZCTEOSA-N 421.860 0.805 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 589273385 NGZHXOLTOCKKIO-UHFFFAOYSA-N 411.487 0.849 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 603792648 AKONNFXFDRSGHI-UHFFFAOYSA-N 417.437 0.736 30 20 HCED Cn1c(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)cc(=O)n(C)c1=O 603935795 PODZKGABVOFMSA-MRXNPFEDSA-N 418.475 0.326 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CCN(C)CC1 604434296 UNRJAGYPOUTUFL-UHFFFAOYSA-N 412.515 0.434 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCO[C@@H](C#N)C1 609282863 ZJWIXQBXPODMAU-HNNXBMFYSA-N 420.491 0.357 30 20 HCED CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CCCC#N)CC2)c([N+](=O)[O-])c1 609541602 UWSJUKGPXYEYGS-UHFFFAOYSA-N 416.481 0.754 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 610899754 JSJCFLPSHHEJQO-MAUKXSAKSA-N 421.523 0.293 30 20 HCED N#C[C@@]1(F)CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 615646315 RCZJHISLXOFRHM-XLIONFOSSA-N 402.426 0.435 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)c3ccc(C)s3)CC2)C1=O 623230696 WUBKLIHAJQCSRR-UHFFFAOYSA-N 418.475 0.754 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C[S@@](=O)CCOC)c2)C1=O 735020790 OIWYPUFRLXGNKF-NDEPHWFRSA-N 407.448 0.497 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 735857851 UETCDUCYJXEHBE-HLAUDOPJSA-N 420.466 0.163 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744031639 AFYCYFIYWNIINO-XOYXNHQRSA-N 411.414 0.895 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 745355945 FPEMNRIXPFRKEX-YVEFUNNKSA-N 413.500 0.301 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 746531806 BXRNIWSIEZMUKW-SFHVURJKSA-N 423.404 0.977 30 20 HCED COc1cc(C=NNc2nccn(C)c2=O)ccc1OCC(=O)N1CCOCC1 748079080 AFUCXNXYKHHPNF-UHFFFAOYSA-N 401.423 0.473 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968575 SONXEMJEVYDQQH-BFUOFWGJSA-N 410.438 0.437 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1C#N 752399161 HVWGYDCQNSMMIP-UHFFFAOYSA-N 424.417 0.744 30 20 HCED C#C[C@H](CC)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 754372403 YPHZGQCJKJISBQ-RVSUXWIQSA-N 412.533 0.908 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)CNc1ccc(C#N)cc1 759888502 WQFCGRYGQDRQLP-UHFFFAOYSA-N 418.431 0.808 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O 767680158 LJENBQYDQHOVQD-LRDDRELGSA-N 417.447 0.307 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)cc2F)c(=O)n(C)c1=O 771893319 YZFGYIATSDKKIV-UHFFFAOYSA-N 419.232 0.298 30 20 HCED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)C1 774241863 YEWVWAQZLODPRF-UHFFFAOYSA-N 423.447 0.615 30 20 HCED COc1cccc([C@H](CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)N(C)C)c1 774951625 WSCVOTLLFAGAPX-SFHVURJKSA-N 410.478 0.909 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782128997 AMDYCBIBNOQQCO-UHFFFAOYSA-N 417.447 0.467 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OCCCOC)c1)[C@H]1CCS(=O)(=O)C1 783478184 BAFOUARTMYLXMP-INIZCTEOSA-N 408.476 0.689 30 20 HCED COc1ccc(NC(=O)COC(=O)c2c[nH]c(C#N)c2)cc1S(=O)(=O)N(C)C 786907329 JMGLFIJCQPZORQ-UHFFFAOYSA-N 406.420 0.941 30 20 HCED Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NS(=O)(=O)CC3(C#N)CC3)cc12 793201653 PTWGNFHJUSFCAB-SNVBAGLBSA-N 409.493 0.811 30 20 HCED C=CCN1CC[C@H](OC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1=O 798605495 HVYDYYWKEKCREL-HNNXBMFYSA-N 410.496 0.459 30 20 HCED CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 798813755 HTUXHTAABZRVIT-UHFFFAOYSA-N 424.442 0.959 30 20 HCED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803549556 HZMCRKSRNAQNQZ-IBGZPJMESA-N 411.422 0.050 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 807462716 NYNYFKDEWFOFJT-CQSZACIVSA-N 408.480 0.024 30 20 HCED C[C@H](C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 807742814 GKXRAZOWCVDPHP-CABCVRRESA-N 403.487 0.864 30 20 HCED COCc1nc(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)cs1 809173435 IHESPJSMPVLTFU-UHFFFAOYSA-N 401.491 0.945 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 831740871 JDSRQVDMKNBUNJ-GOSISDBHSA-N 422.463 0.275 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 913202903 DTXJAHHERQXQBF-IINYFYTJSA-N 405.386 0.189 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)C1=O 914532334 GDUFEAOPVPIMRN-KSSFIOAISA-N 416.544 0.808 30 20 HCED C=CCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 916918014 OQBCVYODOSJLBK-KRWDZBQOSA-N 400.460 0.970 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)CN2CCN(CC)C(=O)C2=O)cc1 916943458 XGNKVQUXQLPFBH-HNNXBMFYSA-N 414.418 0.201 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 916949387 BKSXFCTUHIXPAQ-CQSZACIVSA-N 424.417 0.180 30 20 HCED COCC(COC)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1142165900 OVDLDFVYYSSEMT-OAHLLOKOSA-N 424.523 0.031 30 20 HCED N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2c[nH]nc2S(N)(=O)=O)CC1 1297324141 ZEVYBYPRKFGERB-AWEZNQCLSA-N 408.871 0.733 30 20 HCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1301003440 KGXGIGNVGUOPLA-HNNXBMFYSA-N 418.523 0.880 30 20 HCED CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1315697633 QSRGHJJVCBTMKH-MRXNPFEDSA-N 404.496 0.981 30 20 HCED COCCN(C(=O)CON=Cc1ccc(C(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 1323689766 DHYDVACXEWBZMA-INIZCTEOSA-N 412.464 0.486 30 20 HCED Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cs1 1492690425 MHQJZVQWHAAFRW-DZGCQCFKSA-N 422.536 0.917 30 20 HCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)[C@@H](C)C1 1508238005 VLTGYYQZTAXZMX-AWEZNQCLSA-N 416.507 0.918 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1555989952 INZVRVRTXRXPQZ-OAHLLOKOSA-N 409.512 0.462 30 20 HCED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1559425933 WEUDHGSTUMJOHI-UHFFFAOYSA-N 418.450 0.701 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1567645915 LOXMWYMODYPMKG-UHFFFAOYSA-N 416.507 0.764 30 20 HCED COC(=O)CN(C)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1621935991 XNPFINORMRSFNZ-UHFFFAOYSA-N 408.249 0.843 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(CCC#N)CC1 1648963229 QLCLTWSIZUREQI-AWEZNQCLSA-N 402.517 0.372 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)CN2CCOCC2)cc1Br 1656472822 JJPHRDAIMQHUBE-NSHDSACASA-N 422.276 0.431 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC2CC2)nnc1N1CCO[C@@H](C#N)C1 1710974275 QWBCGGIFKIMWBK-ROUUACIJSA-N 415.542 0.902 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1726768643 WPUFTHPZIGQBLR-RMHZUWNSSA-N 413.475 0.162 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO 1751095332 WASFYVHJFYJYJT-BRWVUGGUSA-N 424.571 0.765 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1771537692 SZRZMAARBFRVSM-INIZCTEOSA-N 404.434 0.535 30 20 HCED Cc1nc2ccncc2cc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778442542 ZYSOAEGGQWNOIQ-OAQYLSRUSA-N 408.414 0.470 30 20 HCED C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C(F)(F)F 1779015566 ZLERWVMTICNEON-SCODYDIVSA-N 420.432 0.601 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1779060535 FFEYQMMLLIAXKX-QFIPXVFZSA-N 414.506 0.871 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1779064917 JZMLDXMWZRNQAY-HXUWFJFHSA-N 402.451 0.257 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780339063 JRFIUOFOJFQSMV-OXQOHEQNSA-N 401.467 0.635 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2nccn2)C3)c1 1780351152 WQWPCTRNYYWWFU-WIYYLYMNSA-N 408.462 0.977 30 20 HCED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1)C(F)(F)F 1782608174 XMOZHOHUAZAIDE-XJKCOSOUSA-N 416.404 0.867 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C(F)(F)F)n1)CCO2 1783566812 JUSRRRUDSLWNOL-QGZVFWFLSA-N 411.336 0.632 30 20 HCED Cn1cccc1C(=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1784611075 GTTUNDOALRRJEB-XOWGOQOESA-N 415.494 0.509 30 20 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419.482 0.183 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920868 LSNJHDDYGYORTE-CQSZACIVSA-N 423.514 0.315 30 20 HCED Cc1cn(CC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)c(=O)nc1O 1844315784 CRUWGXHSOKUYDE-ODCIPOBUSA-N 413.434 0.173 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)nn1C 1844835731 ILTMRFPKLHQUAO-UHFFFAOYSA-N 400.479 0.944 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1845255311 SUWINUZKXHBXJQ-ZIAGYGMSSA-N 412.487 0.834 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC#N)[C@@H](O)C1 1847232557 HRVKMBFNMHXUKH-VGWMRTNUSA-N 406.483 0.720 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccn(CCOC)n1 1847261677 CVPDVLMNQGYTGT-FEFZKZJHSA-N 401.467 0.203 30 20 HCED Cc1cn(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2ccc(C#N)cc2)c(=O)nc1O 1847309076 NGHCTMOGPLUWRY-ROUUACIJSA-N 421.457 0.574 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1 17225644 IXYZARPNPVOONX-UHFFFAOYSA-N 400.416 0.732 30 20 HCED CCCNC(=O)CN(C)C(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27105095 CJYIWXJZGPHQBV-UHFFFAOYSA-N 414.466 0.913 30 20 HCED COC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 46917859 ATBBVQPSMBQOBB-UHFFFAOYSA-N 414.443 0.887 30 20 HCED N#Cc1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 55854583 CYGRFMTZMJQBIE-UHFFFAOYSA-N 413.459 0.729 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN([C@H](C#N)c2ccccc2)CC1 255954176 PMHIOHULKRPDQJ-BHIYHBOVSA-N 404.536 0.903 30 20 HCED Cn1c(NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)c(C#N)c(=O)n(C)c1=O 301193685 IPKBJGPEZRCWAM-MRXNPFEDSA-N 410.478 0.265 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)C1=O 410120235 PNTUSNXYJHUZTO-QGZVFWFLSA-N 407.492 0.803 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 437525387 IFDWSZIRIVESKQ-CRAIPNDOSA-N 409.508 0.764 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)C1=O 440245297 UNIOLOZYEWGCHA-AWEZNQCLSA-N 424.479 0.251 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1=O 440256939 DPCWMUWJSKMHHA-MRXNPFEDSA-N 412.446 0.519 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 447198610 GDNXUJGBAVXRAX-UHFFFAOYSA-N 404.489 0.088 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C1CC1 461375920 HOMHUASAOAYMQX-UHFFFAOYSA-N 413.499 0.657 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)Cn2ccc3c(=O)n(C)c(=O)n(C)c32)cc1 465050080 GMOUHAFCKDJTKP-UHFFFAOYSA-N 410.434 0.985 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)Cn1c(-c2ccccc2)noc1=O 465473010 KBEYREHUBCFMQS-WBVHZDCISA-N 421.461 0.737 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(CCO)c(=O)nc2O)CC1 473585801 FOUGYCNSTCDBBN-MRXNPFEDSA-N 417.853 0.617 30 20 HCED CCO[C@H]1C[C@@](O)(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1(C)C 475378091 XMNRXXIQWSHIAV-MGPUTAFESA-N 412.450 0.760 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2C[C@@H](O)COc2ccc(C#N)cc2)cn1 482972223 AGNXNHHVCQTNQN-MJGOQNOKSA-N 404.492 0.986 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1 483536107 WZPWOPFDZPQFES-GXTWGEPZSA-N 414.509 0.918 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 484606038 NWIVTQLKAHBABW-UHFFFAOYSA-N 406.464 0.875 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 485557046 BQUMHZCRGQKHCA-RRQGHBQHSA-N 411.480 0.162 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(CC(N)=O)cc3)C2=O)cc1 488593795 JQYFDXLQLFVUJH-SFHVURJKSA-N 419.441 0.442 30 20 HCED CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489229716 ZPPCYESHJVTFGD-HZPDHXFCSA-N 406.508 0.739 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)OCC)CC2)cc1 493549866 QTAXQLNGAPSKLC-UHFFFAOYSA-N 403.435 0.458 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCCN(CC(F)F)CC3)n2)cc1 500558827 XOKRFSATFJGTCC-UHFFFAOYSA-N 417.420 0.936 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 502230710 LBABHEYERXCLDJ-OALUTQOASA-N 400.479 0.513 30 20 HCED COCCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 503745063 GGGALNQTZDHHRL-UHFFFAOYSA-N 410.496 0.627 30 20 HCED N#CCCCOc1cccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 506152430 XMNYGYHXRHQWOD-UHFFFAOYSA-N 400.479 0.872 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)N(C)C)ccn1 506223328 KCFRQTCUSDNUJC-GFCCVEGCSA-N 401.448 0.961 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 509428454 DJYGVEQHMCILJQ-HNNXBMFYSA-N 400.526 0.780 30 20 HCED N#CCNC(=O)CNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 511910880 QFUVWONQEYPEDV-UHFFFAOYSA-N 423.271 0.844 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N(C)C2)cc1 523479604 OTIIAMQDLGBVQH-AWEZNQCLSA-N 408.480 0.169 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccsc2)c1=O 523743990 XUEYNJSKALWVLN-UHFFFAOYSA-N 421.544 0.664 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1OC 542321091 ZMWPDDZBUYDLAE-UHFFFAOYSA-N 411.480 0.718 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 543023580 NELAGXOMUVJWIA-UHFFFAOYSA-N 401.875 0.933 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 548818766 GHWDVLRABASHHI-UHFFFAOYSA-N 409.450 0.969 30 20 HCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc2NC1=O 551192476 RPGPOUZPRQKWPP-ZDUSSCGKSA-N 420.429 0.960 30 20 HCED Cn1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c(C(F)(F)F)n1 551543592 SWQZYDGXYKHILS-UHFFFAOYSA-N 407.356 0.993 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccnn2)CC1 555240242 JONXDMLFNDTFOR-AWEZNQCLSA-N 406.516 0.581 30 20 HCED Cc1ccc(C(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)cc1S(=O)(=O)NCC#N 557581047 KYMOUYAXKZZWHV-DOTOQJQBSA-N 406.508 0.732 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](c3nc(N(C)C)no3)C2)CC1 557756169 MSVDHKFWCUJNGU-HNNXBMFYSA-N 404.515 0.998 30 20 HCED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 558152263 GBFBEEMAEXIDAJ-CQSZACIVSA-N 414.445 0.643 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)nc1 561103189 YVRKRUPQIMHNOS-ZDUSSCGKSA-N 417.403 0.802 30 20 HCED COCCn1cc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 561805282 STGHNSOHAIHQSA-UHFFFAOYSA-N 410.478 0.362 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1F 583114414 KOWNPMZPJMRFKT-UHFFFAOYSA-N 405.407 0.718 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CCc3cccn3C)CC2)c1C#N 583135648 YGIDWPZPZURDES-OAHLLOKOSA-N 411.510 0.725 30 20 HCED CS(=O)(=O)N1CC(CNS(=O)(=O)c2cccc(Br)c2C#N)C1 588131085 OPPAGRFLHKIQJR-UHFFFAOYSA-N 408.299 0.490 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC1CCN(c2cccs2)CC1 588972954 XIZZOHBFWFMBSB-UHFFFAOYSA-N 415.523 1.101 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 609338312 YVINQYCIHOYPBC-UHFFFAOYSA-N 410.500 0.295 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 610810767 GSQAAFHWUOIPQW-XJKSGUPXSA-N 423.491 0.794 30 20 HCED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 612272094 QTKJUTJVVCTHHH-LJQANCHMSA-N 420.491 0.798 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)cn1 613099449 MQMXHSBEXLOBBI-QGZVFWFLSA-N 409.450 0.401 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617034467 TUMKOIBPXIUSPJ-GOSISDBHSA-N 413.478 0.596 30 20 HCED CCc1nc(CN2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)no1 731880911 YGZAOUYUHBBCEC-UHFFFAOYSA-N 418.479 0.015 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C[C@@H]2CCCO2)CC1 733158992 WIYQMSQDBOAKKS-INIZCTEOSA-N 420.535 0.875 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 734225141 XESGBZBYWWIAMO-UHFFFAOYSA-N 406.442 0.890 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)c1 741142292 GPNURORUMMUTTP-UHFFFAOYSA-N 412.493 0.644 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCNC(=O)C[C@H]1C 742096877 XYDZMTZOPQPSEK-HIFRSBDPSA-N 406.508 0.877 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)ccc1F 744623984 CPMQUVLJAVPBSN-SGTLLEGYSA-N 424.454 0.398 30 20 HCED N#C[C@H](C(=O)CCN1C(=O)CCC1=O)c1nnc(N2CCOCC2)n1-c1ccccc1 744938062 IUAZWRXBPJJMIG-MRXNPFEDSA-N 422.445 0.819 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 746108364 QGFQTHNDZIICOB-ISLYRVAYSA-N 404.448 0.982 30 20 HCED COc1ccc(C#N)cc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 747676432 WNEGYNHPRJFERH-INIZCTEOSA-N 413.521 0.201 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 748223721 TVMJRIHXXSXGHD-UHFFFAOYSA-N 418.431 0.703 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3cccs3)n2CCC(N)=O)CC1 750000799 TZLQTHUUSZWLLA-UHFFFAOYSA-N 418.548 0.752 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 753881293 KVLOHQQNCPGPDY-HNNXBMFYSA-N 406.508 0.479 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)C1 755542748 AMIHRDPVXNDRFA-FZMZJTMJSA-N 419.413 0.738 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 761524688 SGDWSBWFIBCMSG-UHFFFAOYSA-N 404.442 0.399 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 762223863 VMSCJAVPNUBOBA-UHFFFAOYSA-N 417.399 0.770 30 20 HCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NC[C@@H]2Cc3ccccc3O2)cc1 762738137 MQBKZJMNWGGOEG-HNNXBMFYSA-N 403.460 0.847 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CC1 764159560 UMGMUCPXIQQUAT-UHFFFAOYSA-N 413.444 0.888 30 20 HCED C[C@@H](CC(=O)Nc1nc(SCCO)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 764640103 NKPWSVWVMRLHBE-VIFPVBQESA-N 410.481 0.345 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)ccc2OC(F)F)c(=O)n(C)c1=O 771888781 GTMDBZWOZISKAH-UHFFFAOYSA-N 422.797 0.651 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 773190224 SDHKAYKNMFUICF-UHFFFAOYSA-N 401.444 0.862 30 20 HCED C#C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CCCO1 773551155 ZIHMTACIAOBQER-HZPDHXFCSA-N 401.492 0.764 30 20 HCED C#C[C@H](C)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 775388578 URJZXRXKYACZTF-FZMZJTMJSA-N 406.913 0.560 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nc1 782130429 VTKDSXHGLBYAKL-UHFFFAOYSA-N 413.459 0.993 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 786718553 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TUAKGMOYSIKPCM-OAQYLSRUSA-N 419.478 0.605 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839228789 OUACTNFOZYNDJP-UZLBHIALSA-N 406.483 0.938 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839445828 OGONJAKXLLGOEX-HXUWFJFHSA-N 403.435 0.718 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839890632 KDVQEMNKMAQGKK-INIZCTEOSA-N 424.466 0.089 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840200471 JHROFPFAUIOMRU-PXNSSMCTSA-N 412.552 0.750 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323498 LIRPQXWDWSTBAZ-IBGZPJMESA-N 408.524 0.718 30 20 HCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1840463892 JZMVREXBKPQEJV-HSZRJFAPSA-N 422.485 0.471 30 20 HCED Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1F 1840702303 KUXMIFRURMHOCU-HXUWFJFHSA-N 422.384 0.431 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841297990 OKHDUZWEYPZZNU-GJZGRUSLSA-N 409.483 0.114 30 20 HCED CN1N=C(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4ccc(C#N)cc24)C3)CCC1=O 1841865261 ZRVLMCDTWWPBOO-UHFFFAOYSA-N 419.445 0.860 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCS(=O)(=O)CC2)C3)cc1 1844927675 PXGYJSOSCNIXAP-UHFFFAOYSA-N 416.503 0.106 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc2n(n1)CCCNC2=O 1847808094 BOFHLUATYLYFQM-IRXDYDNUSA-N 415.494 0.815 30 20 HCED COc1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(=O)(=O)N(C)C 6433385 SFIBLAZCUZVNMS-SFHVURJKSA-N 409.464 0.911 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(I)c2)c1=O 11458092 RTTWUVOWNVVOIU-UHFFFAOYSA-N 410.171 0.662 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 47064429 VHMXIJRCYAQHTF-UHFFFAOYSA-N 416.507 0.305 30 20 HCED CCOC(=O)c1ccc(C#N)c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1 55336451 WSPGDHFZKBMNIR-UHFFFAOYSA-N 403.420 0.085 30 20 HCED C#CCN1CCN(C(=O)[C@@H](CC(C)C)NC2=NS(=O)(=O)c3ccccc32)CC1 303645428 WGORSRFUSPDWBM-QGZVFWFLSA-N 402.520 0.917 30 20 HCED COC(=O)[C@@H]1CCN2C(=O)N([C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C(=O)[C@@H]2C1 431596014 MPFZQZHWSUIBTH-ZACQAIPSSA-N 410.430 0.875 30 20 HCED C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434605898 JXIYRMVBTYXOFJ-OCCSQVGLSA-N 411.480 0.782 30 20 HCED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H](C)S(C)(=O)=O)cc1 437096677 YRPJYNYISNXJLY-PBHICJAKSA-N 417.491 1.334 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(CCS(N)(=O)=O)CC2)c1 440332933 BDNQHAAYDLDBTB-GOSISDBHSA-N 421.567 0.845 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 441134576 JYRRQSLAOSKLGY-IEBWSBKVSA-N 424.505 1.273 30 20 HCED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1O 442873413 KZDOLDDQWFRBMT-UHFFFAOYSA-N 415.475 0.541 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 443294861 MOESSMVMJZIGLI-CYBMUJFWSA-N 414.340 0.759 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460736206 OQIGALIYFDYYHF-UHFFFAOYSA-N 422.449 1.007 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 467131394 XOZRCWZVMPZIIL-ULQDDVLXSA-N 422.445 0.937 30 20 HCED Cc1ccccc1C[C@@H](CO)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 467149173 JDGMZVALPBNCHU-IBGZPJMESA-N 418.457 1.165 30 20 HCED CC(=O)Nc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 468761670 ARSYYTVYKOJUDF-LBPRGKRZSA-N 401.448 0.895 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(CC#N)CC(=O)OC)CC1 471162160 OGTMFLXRBRPPML-UHFFFAOYSA-N 415.494 0.330 30 20 HCED Cc1nn(C)c(N2CCN([C@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)CC2)c1C#N 472098893 YMJPZXKCCPMHSD-KRWDZBQOSA-N 422.445 0.753 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)Sc3nnnn3C3CC3)CC2)c1C#N 472272454 DOAJBBLBJNCMKG-GFCCVEGCSA-N 401.500 0.751 30 20 HCED CN(CC(=O)NCCC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1 477810523 HUDWBSFKZDHPLC-UHFFFAOYSA-N 415.475 0.396 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(OCC(N)=O)c1 480448877 OQLJZYNTMBZFMR-GFCCVEGCSA-N 402.432 0.728 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 481145255 SDRWIVUTELQRPA-SUMWQHHRSA-N 400.460 0.438 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 482197719 IVYBKQPAXGRQSL-WBVHZDCISA-N 420.535 0.842 30 20 HCED N#Cc1ccc(Br)c(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 492416215 JLBFKTPJLHGETE-UHFFFAOYSA-N 421.295 0.824 30 20 HCED COc1cccc(N2C[C@H](NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2=O)c1 504444614 DZRIPWQNJRBGSE-CQSZACIVSA-N 410.434 0.974 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)nn1CCC#N 505005485 ISHKBDFPUSNIBO-OAQYLSRUSA-N 410.478 0.797 30 20 HCED C[C@@](O)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 508657563 PKAILXPDLLCCIK-GHTZIAJQSA-N 415.494 0.436 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccncc2OC[C@H]2CCOC2)C1=O 515902016 SEHXWBUBZUWFAU-ZDUSSCGKSA-N 402.407 0.090 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 518068459 OPTOQEUCALIMEA-UHFFFAOYSA-N 405.426 0.792 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 538601598 YYAJVZIBIHZCFF-AWEZNQCLSA-N 421.523 0.829 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 543221620 OKWIMRCBDCYAJD-HXUWFJFHSA-N 400.435 0.651 30 20 HCED COC(=O)c1cn([C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)nn1 545472048 XDECAXHCRYZOJA-JTQLQIEISA-N 406.380 0.480 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 553672293 OVKFPLMSPWDKHG-IBGZPJMESA-N 413.522 0.846 30 20 HCED Cc1c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)nnn1CCOc1ccc(F)cc1 555924127 WODJKALNJXUAIC-HNNXBMFYSA-N 402.386 0.494 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCO[C@H](C4CC4)C3)C2=O)cc1 558048078 VYBRDFHRNCLTLP-FHWLQOOXSA-N 410.474 0.849 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 561889089 AUHYTDLSNGYHSX-CQSZACIVSA-N 422.507 0.464 30 20 HCED CCO[C@@H](CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 579403881 RHQZJAWIJNQQHE-KRWDZBQOSA-N 404.515 0.816 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc1 581222446 CMQCVKKSMNGEBX-MRXNPFEDSA-N 419.507 0.633 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1nnc2n1CCC2 585701273 SPUOIPIAJWHXSP-LBPRGKRZSA-N 424.465 0.487 30 20 HCED C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)c1cccc(C#N)c1 585704387 PYBPZYICQFNJNC-AWEZNQCLSA-N 400.460 0.830 30 20 HCED CCCN(CC(=O)NC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604192947 AZHLWWIYWQKJAN-UHFFFAOYSA-N 406.508 0.944 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCO[C@H](C#N)C2)c1 609280358 DZWCWQQPSRGSRQ-OAHLLOKOSA-N 408.480 0.198 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 610608365 RZYOGRHEMSCPNO-RNODOKPDSA-N 413.434 0.732 30 20 HCED CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 611431165 WCVVPZHZVZDJSX-HZPDHXFCSA-N 408.524 0.967 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3c(C)oc(C)c3S(N)(=O)=O)CC2)c1C#N 616023853 PXAVOZBKZZPOTA-UHFFFAOYSA-N 406.468 0.420 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 617151740 YHZBZXTVGAKXIQ-UHFFFAOYSA-N 403.464 0.878 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)C1=O 726042387 IGGMENKWDOGMLB-UHFFFAOYSA-N 409.782 0.807 30 20 HCED Cc1cccc(C)c1OC[C@@H](O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465625 IVDAHQBXUJTJSW-DXQAYGFFSA-N 402.451 0.869 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCN2C(=O)CCC2=O)cc1 733844014 RSINMTARTQFEFM-QNGOZBTKSA-N 421.479 0.770 30 20 HCED C[C@H](CC(=O)NCCCN1CCC(O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742689648 ICLRRJUFFNGILG-CQSZACIVSA-N 408.524 0.467 30 20 HCED CCOc1ccc(OCC)c(NC(=S)NN=Cc2c(N)n(C)c(=O)n(C)c2=O)c1 749815230 LAGISFOSLZNZPP-UHFFFAOYSA-N 420.495 0.784 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)s2)[C@H](C#N)C1 754380827 XAEYUCUSIUGFIZ-SNVBAGLBSA-N 400.482 0.981 30 20 HCED C=CCc1cc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)c(O)c(OC)c1 754725749 CATPFBVMQODTCK-UHFFFAOYSA-N 424.567 0.739 30 20 HCED 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N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 785555582 SDGLUGHPFHYZLT-GDBMZVCRSA-N 400.460 0.827 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccnc1OCC(F)F 787758879 LPABSCSXMRHIJI-UHFFFAOYSA-N 404.377 0.837 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 788275079 LOAVDWWWTGRZPC-INIZCTEOSA-N 417.514 0.411 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@H]1CCCS(=O)(=O)C1 792034504 JQEMQJNZORORTQ-TZMCWYRMSA-N 400.478 0.593 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798563166 CYYIRZBKJVPWAU-MRXNPFEDSA-N 424.475 0.660 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 798589171 WMALJDCCUGGVQG-BBRMVZONSA-N 423.491 0.385 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 800055911 GTFGSDNZWIUICD-ZDUSSCGKSA-N 413.422 0.257 30 20 HCED N#CC1(OCCOC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCOCC1 809081150 CFQDHVBBPDISAO-UHFFFAOYSA-N 424.475 0.954 30 20 HCED C#CCCN1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 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30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CC)on3)C2)C1 1779693159 BWLSGXCUFZUOSP-KKHYBRAUSA-N 402.451 0.539 30 20 HCED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)nn1C 1780430325 GTXQMMGHYXOLGB-JOCHJYFZSA-N 423.473 0.987 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c(C#N)c1 1781175093 YOKZZNIBJFAGMA-OAQYLSRUSA-N 424.461 0.382 30 20 HCED COc1ccsc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782013476 NOTVKWDTXWEKEA-AUUYWEPGSA-N 406.460 0.972 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCS(C)(=O)=O)C1 1782712966 DSGMKBAZMLYJGS-UWWQBHOKSA-N 420.597 0.889 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CCC)NC(C)=O)C1 1783184734 PRDFYZXLJFPJEJ-FAGZOMQFSA-N 421.538 0.843 30 20 HCED COc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783558686 WLPPPXYHIOIXJP-SVMVAKDDSA-N 412.442 0.717 30 20 HCED COc1ccc(/C=C/C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(F)c1 1783566910 APKATGPMNBQMFU-LAEWNIMASA-N 416.405 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CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812874765 YBVWAGBBDHGVOI-YJBOKZPZSA-N 400.435 0.090 30 20 HCED O=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)/C=N/N3CCCCC3)[nH]n2)=NN1 1819341583 MLDBSHNLKNAIHO-RVZJCZPVSA-N 414.470 0.749 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1823074664 GAZMKMKKRSPCCS-SCVCMEIPSA-N 409.468 0.964 30 20 HCED Cc1cc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)nc2nccn12 1824118352 BCMZCGQBOMTVOE-LLVKDONJSA-N 424.442 0.808 30 20 HCED C#CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)c3ncon3)C2)C1 1829267383 WEGOQYKMCDSXGF-NRFANRHFSA-N 423.429 0.769 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1830640718 GLIKDWRSGHLJFL-HXUWFJFHSA-N 404.467 0.954 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccn4n3)C2)C1 1831213782 XQYGURHMVNBDFG-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224912 NKKWMYNNUYAKIQ-VGOFRKELSA-N 413.474 0.719 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1831482584 HVZKARHBFDIVGH-ABSDTBQOSA-N 413.584 0.882 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833080709 JVXYJMOFBSUGIK-PXNSSMCTSA-N 406.483 0.239 30 20 HCED Nc1n[nH]c(CCC(=O)N2CCC(N3CCC(NC(=O)C#CC4CC4)CC3)CC2)n1 1833427973 KGYJOMCMANVTTM-UHFFFAOYSA-N 413.526 0.305 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cncnc3)CC2)CC1 1833860024 YJTXRBINWUANBI-KRWDZBQOSA-N 413.522 0.629 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1834078526 RKGBVQCEAXYVJL-IBGZPJMESA-N 406.508 0.774 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834352594 DIWVARPLQTVYFM-MGPUTAFESA-N 405.426 0.329 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834591056 HCEWMKRUQIDTMW-LPHOPBHVSA-N 410.492 0.664 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(N3CCC(NC(=O)c4cc(O)n[nH]4)CC3)CC2)c1 1834771022 MISHEHJYSINLPS-UHFFFAOYSA-N 411.466 0.814 30 20 HCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834935537 NIDPVFPWWHNJNY-NRFANRHFSA-N 400.479 0.119 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342323 XJAIJJDTTIOGEP-OAQYLSRUSA-N 424.461 0.412 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835826560 MWMWYFYKVWOKIH-HNNXBMFYSA-N 403.527 0.798 30 20 HCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835842804 HMEFABGGALGSJR-GOSISDBHSA-N 407.515 0.013 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1837398924 KXJBUECKLTVVKK-IIBYNOLFSA-N 421.494 0.880 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837489371 DUGOHJXJPSYIHJ-GCJKJVERSA-N 420.506 0.320 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489398 FWJGQTNWFYRHST-NRFANRHFSA-N 403.479 0.445 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1837561573 VLSSNWIQNOBVCR-NXFFSXPPSA-N 419.463 0.320 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1838384845 LYVAZSZJULDCBQ-SFHVURJKSA-N 412.527 0.567 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3scnc3CC)CCO2)C1 1838835831 CXDSHLAWDHXNBC-FOIQADDNSA-N 421.519 0.814 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037392 JSKMLSXGIKVNRY-VFNWGFHPSA-N 417.437 0.034 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839174950 GGXYWOOAGSJWAO-FQEVSTJZSA-N 418.450 0.056 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839224910 RPPZMZRCYVUAQJ-XLIONFOSSA-N 421.498 0.449 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419882 ZNZUQLOQHDKMPP-NQIIRXRSSA-N 419.453 0.784 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4N=C(C)CC4=O)cc3)C2)C1 1839809766 KMAGCPWMZUSKNA-QFIPXVFZSA-N 424.457 0.502 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cncc(O)c4)CCO3)C2)CCC1 1840063520 IUBLLNFAWDHLTD-FQEVSTJZSA-N 400.435 0.551 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840170670 SYXLGWHJGCZYHB-QFIPXVFZSA-N 413.474 0.659 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840428039 APCNNBNVOVKEBW-WAOWUJCRSA-N 420.510 0.567 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840601240 YYFPUVZPDAWGBG-LFNLJPBCSA-N 406.479 0.752 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](N)c3cccnc3)C2)C1 1840841739 SWZGJSJMBCMESR-GHTZIAJQSA-N 400.479 0.341 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)Cn2nnc3ccccc32)C1 1841815821 CBNAGUICUPDNBL-UHFFFAOYSA-N 409.494 0.917 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC3(CCCN3C(=O)C3(C#N)CC3)C2)[C@@H](O)C1 1842808758 WKLHIKSGVLGTHI-GJZGRUSLSA-N 418.494 0.721 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844332986 ZLUDWQJHMSGYDN-GOEBONIOSA-N 415.494 0.371 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845992807 DSFQHEZNXUQRMN-AWEZNQCLSA-N 408.499 0.925 30 20 HCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846371215 HWOITKVZDCUCMP-OAHLLOKOSA-N 404.529 0.204 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1(N2CCN(C)CC2)CC1 1847807825 PWZUXJCVHQYDEX-OALUTQOASA-N 404.555 0.951 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 104870701 QJZUCCFBTHKKHZ-QGZVFWFLSA-N 420.491 0.342 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\CCS(=O)(=O)NCC3CCC3)NC[C@@H]2C1 305040918 VKDZDSJBXRNEJG-OAHLLOKOSA-N 415.560 0.586 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)ccc1OC 435021451 PZDLNLFNMAWCQP-LBPRGKRZSA-N 412.468 0.319 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c1C 436717397 WIWZWOPAJZKYBU-BBRMVZONSA-N 415.475 0.991 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)CC[C@H]2C)cc1 439361817 BLLWOGAWWCYPSM-OAHLLOKOSA-N 408.524 0.984 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3[C@@H]3CCCC3=O)CC2)o1 439444907 BWBXGJBHYMTAJD-DOTOQJQBSA-N 401.467 0.573 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)C1=O 440258874 JHDQIDVRHOOVQK-MRXNPFEDSA-N 402.451 0.337 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)C1=O 444369119 PYJSVKIYPAGKSK-UHFFFAOYSA-N 413.434 0.270 30 20 HCED CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 444404032 KJNPXKDZSBPKQL-SFHVURJKSA-N 416.507 0.542 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n1 446717477 RYGDZMQYWWOVLT-UHFFFAOYSA-N 410.478 1.325 30 20 HCED CNS(=O)(=O)c1ccc(O)c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 461461118 RFOVAJIVIOIVGE-UHFFFAOYSA-N 423.472 0.725 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)cn1 462089392 AYLSGKYCQOOTFT-UHFFFAOYSA-N 417.433 0.987 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462110008 RVTDKNOBDDOOSW-UHFFFAOYSA-N 424.509 1.465 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 467139907 PDHXCJZTJJOZMF-UHFFFAOYSA-N 400.407 0.194 30 20 HCED N#CCCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)CC1CC1 471197427 XTBCRPKGPWLNRW-UHFFFAOYSA-N 420.535 0.949 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)N[C@@H](C)C(=O)N3CCCCC3)CC2)c1C#N 472162438 ZCRQZSMLUNPQNG-INIZCTEOSA-N 401.515 0.239 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)c1C#N 472196545 QQRPLXPAEOZQBD-UHFFFAOYSA-N 415.435 0.891 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H](n3cnc(C(N)=O)n3)C2)c1 474211159 AMUYOVYOZQMKSI-IRXDYDNUSA-N 421.461 0.603 30 20 HCED CSc1nc(O)c(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1C#N 476738783 LWSXSATWABARAI-UHFFFAOYSA-N 419.488 0.922 30 20 HCED N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 486073289 GVWYQANSZIPZHX-UHFFFAOYSA-N 412.431 0.819 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 487171317 KLZSXBULUAMTGH-ROUUACIJSA-N 421.461 0.497 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 490004570 MOWKRHFDYSGDQB-DOTOQJQBSA-N 404.492 0.289 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 495235260 CEUPAJTWFHQDAF-UHFFFAOYSA-N 420.433 0.531 30 20 HCED N#CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 518299955 PZCCWAGDNXHZBP-UHFFFAOYSA-N 416.481 0.925 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 518615456 YWXSWUSMHSICHV-UHFFFAOYSA-N 406.483 0.938 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3c[nH]c(C(=O)OC)c3)cs2)C1=O 522999992 KHHPLVJJWKLVAI-UHFFFAOYSA-N 417.403 0.840 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)[C@@H](C)NS(C)(=O)=O)c(C#N)c2N)cc1 530745434 UHGUXKOLOLXHCB-CYBMUJFWSA-N 404.496 0.621 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 532355547 MUBOSFWOSZPVBJ-HNNXBMFYSA-N 423.495 0.909 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 535214032 DPDURSRVPOTRAS-INIZCTEOSA-N 424.523 0.704 30 20 HCED C=CCOc1cccnc1C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 539361829 JLHYEXKAZHPDRK-UHFFFAOYSA-N 410.496 0.418 30 20 HCED C=CCNC(=O)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 539692795 XLZBVVRPZGPXRB-UHFFFAOYSA-N 421.523 0.658 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 541494230 GCVVBCFRJVSKEQ-UHFFFAOYSA-N 415.450 0.538 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 546709222 PFCLAIUUKHAWJL-IBGZPJMESA-N 404.492 0.829 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 554364374 AWTADQSRIUGFIO-IRXDYDNUSA-N 412.494 0.365 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)CC2)n1 554828674 VJWKRKNKEPXVIE-MGPUTAFESA-N 415.519 0.773 30 20 HCED CN(C[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 556771849 JWBQKZUCEZPYAT-RDJZCZTQSA-N 404.492 0.794 30 20 HCED CCC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 557958091 CNNNCWAPTDSINZ-OAHLLOKOSA-N 401.442 0.473 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 558982222 FIAYPEOWMHQFGO-JKSUJKDBSA-N 412.560 0.623 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)cnn1-c1cccc(C#N)c1 560209595 PNDZNJLLJPYJBK-KRWDZBQOSA-N 413.434 0.939 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1)C(N)=O 561417601 KHQWNQAFRCMMAX-LJQANCHMSA-N 408.499 0.867 30 20 HCED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1C 561813058 PCJLQUUVIDMZRO-UHFFFAOYSA-N 413.457 0.462 30 20 HCED CC(=O)Nc1ncc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 566991415 DSRULUCTGKNXAT-SNVBAGLBSA-N 407.481 0.663 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3[nH]c(O)nc3c2)CC1 576140688 ZSNGFWIQFRNJSG-UHFFFAOYSA-N 412.431 0.682 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 583039116 WARPQPXUUNASBE-GJZGRUSLSA-N 406.483 0.455 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](O)C(F)(F)F)cc1 583051353 KVCSJTLQCDEIAX-CYBMUJFWSA-N 423.413 0.861 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)nn1 584145599 HVZYZUOXDZMIJA-CYBMUJFWSA-N 400.370 0.878 30 20 HCED CN1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862527 ZNUGXEVWWKNSJT-SFHVURJKSA-N 401.486 0.942 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)C2)nc1 590272764 OAXRRXSILYSFAU-LBPRGKRZSA-N 408.340 1.330 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)ccc1F 591684549 KCTUETBWOBZFOP-UHFFFAOYSA-N 401.463 0.961 30 20 HCED CN(CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 603549374 ZBOKQVFCEDRQRG-IBGZPJMESA-N 404.536 0.711 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 608783674 JWGPWCSZCUMJCD-UHFFFAOYSA-N 400.460 0.933 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 609940350 ALQFWRHDQIPGEE-UHFFFAOYSA-N 403.406 0.216 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 610806091 QEFUZGLVFYSWGL-BMGDILEWSA-N 406.508 0.283 30 20 HCED Cn1cc2c(n1)CCC[C@@H]2C(=O)NCC#CCNC(=O)[C@H]1CCCc2nn(C)cc21 684979835 HSGJNRZLWANNCA-HOTGVXAUSA-N 408.506 0.929 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H](C)c2ccc(CC)cc2)C1=O 726042969 ICUHEVNNFVVEQO-ZDUSSCGKSA-N 401.419 0.946 30 20 HCED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 728572299 ACDWHBLXVSDGSB-MRXNPFEDSA-N 410.312 0.556 30 20 HCED N#C[C@H](C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909657 DIYOGTQCUKEVTK-DLBZAZTESA-N 417.487 0.505 30 20 HCED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910469 QBTHGJQQWUYVDX-QZTJIDSGSA-N 417.487 0.488 30 20 HCED COC(=O)CCc1nc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 733378196 KZSMLIGWPAPFEL-UHFFFAOYSA-N 422.419 0.347 30 20 HCED Cn1ccc(N2CCC[C@H](OC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)n1 744788834 RZWGAICZNRLMDL-INIZCTEOSA-N 416.459 0.945 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccccc1NC(=O)Cn1cnnn1 744876773 YAKWCSQMWDBMLV-YJYMSZOUSA-N 413.438 0.912 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C 745540178 KXNYEBCWKZDFCO-GFCCVEGCSA-N 412.468 0.535 30 20 HCED Cc1c(C(=O)OCC(=O)NCc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 748415231 GZUBRQZLHAPLOA-UHFFFAOYSA-N 421.413 0.286 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 750670204 LUPRSBWMFRHKPP-UHFFFAOYSA-N 403.464 0.133 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1C#N 752200766 RLAUNWFKQLQXHG-UHFFFAOYSA-N 409.468 0.642 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@@H](C#N)C1 754382426 AWVPFGXMQGXCKJ-ORAYPTAESA-N 405.455 0.678 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755544886 GPMKJIGQYSGUDJ-QWHCGFSZSA-N 403.439 0.508 30 20 HCED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758584209 FBTCGLDALKVEBP-UHFFFAOYSA-N 423.498 0.885 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 759052359 LOKYXXVQCKVJKV-UHFFFAOYSA-N 400.479 0.941 30 20 HCED O=C(O)Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1 759069780 CDIILXQPOFALEC-ZZXKWVIFSA-N 406.420 0.280 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760376688 DPLOZZSTBKCDNA-UHFFFAOYSA-N 420.922 0.942 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1S(=O)(=O)CC 761070551 BORZXPSPQCMDAV-UHFFFAOYSA-N 406.457 0.275 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C#Cc2ccc3c(c2)OCO3)CC1 761219272 IHAINOIKJSYBBJ-CQSZACIVSA-N 402.403 0.999 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1cccc(C(N)=O)c1 764987313 BONDXRVZULMGBK-CYBMUJFWSA-N 400.460 0.983 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cn2cc3c(c(C#N)c2=O)CCC3)C1 766635021 UJUGRENLJQZMIX-MRXNPFEDSA-N 408.524 0.539 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)OC2CCN(CC#N)CC2)cc1OC 771628799 BQZKBWOGFONVPM-UHFFFAOYSA-N 411.480 0.903 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780593639 VRUOYJIKAJGFNX-IERDGZPVSA-N 404.511 0.527 30 20 HCED C#CCNC(=O)CN1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 787211240 HQBOMHAGMXJYKD-LJQANCHMSA-N 404.461 0.823 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)CCNS(=O)(=O)c2ccc(F)cc2)n1 788818862 RISHDVRGDXWMNA-UHFFFAOYSA-N 422.482 0.999 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(=O)N(CC(F)(F)F)C1 792686651 LZHHKUNIPGKPNR-UHFFFAOYSA-N 404.370 0.306 30 20 HCED COCCNC(=O)c1cccc(S(=O)(=O)NCCNc2ncccc2C#N)c1 795803813 ALRUADLKMTVJOR-UHFFFAOYSA-N 403.464 0.720 30 20 HCED COC[C@@H](C)NC(=O)NC(=O)COC(=O)C1CCN(c2oc(C)nc2C#N)CC1 796285282 JTKSSIREMHINMK-LLVKDONJSA-N 407.427 0.475 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)c2C1 796746180 QNGUZYSADUTHHN-CQSZACIVSA-N 401.448 0.572 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2CC(NS(C)(=O)=O)C2)C1 802291677 BFCMJGVJCRAPBI-XVSSEFHLSA-N 401.489 0.125 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2cccnc2)C1 811041999 LVNPXZWHLWHMEG-OCCSQVGLSA-N 409.468 0.235 30 20 HCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cccc(C#N)n1 811251393 BHWCYYYUUHSHPG-LLVKDONJSA-N 400.416 0.735 30 20 HCED CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883153 CFIRAVQQVYNGOL-GOEBONIOSA-N 420.491 0.701 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 914945143 VVVVEXOVXBBLGY-ZDUSSCGKSA-N 424.479 0.426 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C)c2)c1=O 916200085 TVFPMFQKCJLICW-UHFFFAOYSA-N 413.499 0.227 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccnn2C)c1 918265923 RQMOVHSWIAQIET-JWGURIENSA-N 418.479 0.488 30 20 HCED COC(=O)c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n(-c2ccccc2)n1 1116037523 VUTICMKNFYAVPW-HTXNQAPBSA-N 409.402 0.915 30 20 HCED Cn1ccnc1[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CO 1163469605 RHVGDAKYEVERIT-MRXNPFEDSA-N 419.507 0.725 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1nncn1C 1288802708 QYKIOMNIXLGASV-GFCCVEGCSA-N 407.504 0.195 30 20 HCED CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1314666514 VYUBIIBARZCVCS-LSDHHAIUSA-N 410.544 0.497 30 20 HCED Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 1318185667 DQFWLWMKIBMPEZ-OAHLLOKOSA-N 401.448 0.791 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)cc(Br)c2OC)CC1 1345628509 IJNVCJSUCVCDSH-UHFFFAOYSA-N 424.295 0.974 30 20 HCED COc1cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c(Br)cc1O 1464020189 YDQGIBFCPUALED-JTQLQIEISA-N 406.258 0.722 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1509955747 RKQFMNBHOPAMES-MNOVXSKESA-N 404.443 0.300 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)cc1 1555987635 LCLXXCIFQQBQKR-GOSISDBHSA-N 423.521 0.975 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1[nH]cnc1Br 1561379663 LANOZNVONYZWAB-SECBINFHSA-N 412.273 0.733 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCOCC1 1690994052 VDBIYUJXOCTTTP-KFWWJZLASA-N 413.548 0.205 30 20 HCED CNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1696936917 ZMGGZVSJGZMKGN-CVEARBPZSA-N 409.450 0.366 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1698484381 QRKAQMFBXPMESV-CZUORRHYSA-N 413.475 0.164 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1706075145 JYGOFXLMCHRSJX-CHWSQXEVSA-N 415.541 0.353 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)F)CCN1C1CC1 1712884329 KDFMYEITQNZSMW-HNNXBMFYSA-N 416.436 0.898 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740809551 JEPHIMPDOSBNNH-HNNXBMFYSA-N 423.949 0.972 30 20 HCED Cc1nccnc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1762370602 OGXMECCPNDPHAG-GUYCJALGSA-N 422.490 0.671 30 20 HCED COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1769003286 JEIKIBHVWGNZDW-TZMCWYRMSA-N 421.483 0.069 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779135265 XUODIYNBMXQFRQ-BCVDLATCSA-N 404.467 0.397 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cncc(C(F)(F)F)c3)C2)C1 1779748650 JHYZAEHGWOHPDM-QGZVFWFLSA-N 411.336 0.632 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)c1 1780172776 CHIIDUOJTCDZPS-JLTOFOAXSA-N 400.435 0.145 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)ccn3C)C2)C1 1780406133 KYZZNKIEESSECO-RMUOZIPVSA-N 400.479 0.635 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1780739408 IRERMINYSAPPEF-AUUYWEPGSA-N 405.455 0.442 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780947128 GTUJATPMONKFHR-HRAATJIYSA-N 411.462 0.140 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1781050597 DYBNNIHJIFVLSN-JHGBEIFQSA-N 412.490 0.480 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cnc[nH]5)CCO4)C3)c2c1 1782195191 VYMNRCXXEWPLDE-HXUWFJFHSA-N 405.418 0.915 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782267560 HFUSHSZNHROUCJ-NVALYEJGSA-N 411.568 0.981 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782564109 HDWOECOQVZSEAJ-LIRRHRJNSA-N 407.540 0.480 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)CCO2 1783045944 GQRXXPBQLWWEAE-ZOCZFRKYSA-N 421.494 0.067 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(=O)nc4cccnn34)CCO2)C1 1783109545 ZUXLVFQRHSNUMW-QVKFZJNVSA-N 411.462 0.745 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CC)NC(C)=O)[C@H]2C1)C(F)(F)F 1783582513 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CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)n1 427685799 OIVGEPAJNKBDQP-UOXUXTCYSA-N 409.490 1.073 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 430417721 MNLJYGANDNPYQK-AOIWGVFYSA-N 420.554 0.675 30 20 HCED Cc1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1NS(C)(=O)=O 438757045 KPOMQBWKTYLGSA-UHFFFAOYSA-N 409.512 0.999 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 440399257 NJSZDSXORFGDNT-UHFFFAOYSA-N 400.485 0.473 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCOC3)c2=O)nc1 441960682 UADSWZLVPKTXOG-INIZCTEOSA-N 424.526 0.775 30 20 HCED Cn1c(=O)c2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cnc2n(C)c1=O 443374543 ZPQLPTVBVFMMAE-UHFFFAOYSA-N 405.823 0.958 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCSC 443575801 NJKLFLPTXQVMKL-UHFFFAOYSA-N 423.585 0.990 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccn(CC(F)F)n1 444502292 NVRRVZDTHGKLQP-UHFFFAOYSA-N 404.421 1.549 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(OC)c2)c1=O 446127260 QIVULKLVYPCNCU-UHFFFAOYSA-N 413.499 0.679 30 20 HCED CN(CC(=O)N1CC[C@H](CN2CCOCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 461181200 OPBLMUICJBGCHW-QGZVFWFLSA-N 406.508 0.359 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCN1CCC[C@H](C(N)=O)C1 462100892 JPPYTJKEJZXUNQ-INIZCTEOSA-N 410.482 1.156 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)o[nH]1 462284512 VXNCHNQCVJIBRE-UHFFFAOYSA-N 420.451 0.814 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 465947263 GKFHKWXBIGNIJS-WOJBJXKFSA-N 412.538 0.993 30 20 HCED C=CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 468814285 DKULTVUZPMNLKJ-UHFFFAOYSA-N 414.553 0.429 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 480521730 DHNANVASYWSXDZ-INIZCTEOSA-N 420.535 0.796 30 20 HCED C=CCN(CCOC)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 482399334 MLCDQNBZOSYBMY-HIFRSBDPSA-N 413.452 0.380 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nc1 484765783 SNZPDTFYFZITFB-GFCCVEGCSA-N 416.467 0.394 30 20 HCED CCCNC(=O)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 490864949 PZMXPDGHRDQWDY-UHFFFAOYSA-N 423.477 0.901 30 20 HCED C[C@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nncn1C 494799421 JTRBNBHWUMQVRQ-ZDUSSCGKSA-N 410.438 0.934 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 498985584 PMZSETVZZXWXFL-QRQLOZEOSA-N 420.535 0.097 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)nn1CCC#N 504530053 NQFRZTHTTMPAMW-UHFFFAOYSA-N 408.462 0.957 30 20 HCED CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2ncccc2C#N)c1 504717084 QAJLWJMIAKVHIW-HIFRSBDPSA-N 403.468 0.978 30 20 HCED C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508882654 ZBCUPUVBGXUMGZ-OAHLLOKOSA-N 418.461 0.668 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC(=O)N3CCCCC3)CC2)CC1 512450142 OVBQZKDHQLNJMX-HXUWFJFHSA-N 418.586 0.309 30 20 HCED N#Cc1ccc(Cl)c(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 512735423 NYNJKHBLYAWHNS-CQSZACIVSA-N 424.910 0.273 30 20 HCED CN(C)c1nccc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n1 514887347 NGOMSUWNAVNCCG-UHFFFAOYSA-N 401.496 0.405 30 20 HCED CN(CCCn1ccnc1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 515247530 LKGSVWDHWGORLY-GOSISDBHSA-N 408.462 0.521 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)nc1 531629908 JPISRSBXGDZCOD-UHFFFAOYSA-N 419.466 0.240 30 20 HCED COc1ccccc1N1CC[C@H](NC(=O)C(=O)Nc2cc(C)nn2CCC#N)C1=O 532995352 JINQQPLFSDZIQG-AWEZNQCLSA-N 410.434 0.974 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)n1 538067452 GIFIJRWVJRXAOH-KRWDZBQOSA-N 401.515 0.903 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCCN3CCCCC3=O)CC2)cc1 553277498 NMTRCHYJEMPULT-UHFFFAOYSA-N 411.506 0.721 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 553712270 WKGXETCZISHURD-WMZOPIPTSA-N 413.478 0.007 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCC4)CC2)c(F)c1 556599325 LDZDZTICOCPQPD-UHFFFAOYSA-N 411.441 0.590 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCN3CCCC3=O)C2)c(F)c1 559336133 KHQUVFGGXBEGRS-MRXNPFEDSA-N 415.469 0.911 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2)C[C@H](C)O1 562377056 ATTHGARTGOIMET-KBPBESRZSA-N 420.491 0.843 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2=O)cc1 564065775 CLURHJRZVGEJRM-RBUKOAKNSA-N 409.490 0.867 30 20 HCED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 567676975 XDMKJFUEINTHFT-UHFFFAOYSA-N 418.479 0.721 30 20 HCED CCS(=O)(=O)N(C)C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 571322769 PHXZRYCJOKXMFK-UHFFFAOYSA-N 400.526 0.473 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)cc1 571553335 LNZZDQMIZDPWKG-UHFFFAOYSA-N 416.419 0.590 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 579663199 VQWZRBDKLUARPJ-GOSISDBHSA-N 412.471 0.665 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2nnnn2-c2ccccc2)n1 583292916 JJBQDPIFVCBAOB-UHFFFAOYSA-N 414.389 0.370 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588124093 VKTCARLKDHZEEY-SFHVURJKSA-N 408.462 0.274 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2 609992575 TWZZBUXSFOIMBA-LBPRGKRZSA-N 411.436 0.040 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(OC)cc(OC)c2)C1=O 726043957 WUFUOKNCYXKRDX-UHFFFAOYSA-N 405.363 0.162 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 728533304 GECRBNMESOVALH-UHFFFAOYSA-N 424.498 0.020 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(C)CCOc2cc(C)cc(C)c2)CC1 728570866 OLKIIXRMESNYLT-UHFFFAOYSA-N 400.523 0.508 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 729674805 NIZORNOWULENRT-CYBMUJFWSA-N 419.528 0.468 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 729764106 YKPIISKSFAVUIG-UHFFFAOYSA-N 418.418 0.544 30 20 HCED Cn1c(S)nnc1[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 730089774 HHFDXCSKOZXFTL-LLVKDONJSA-N 420.520 0.549 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)COc1ccc(F)c(F)c1 732467704 WVHLHWJEPBDBBV-RRGFCBMYSA-N 410.377 0.530 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 737190110 LIQZDTCFKUMXRH-UHFFFAOYSA-N 415.475 0.925 30 20 HCED Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 738860350 KPXSPXPIGXFZAE-FKIZINRSSA-N 415.450 0.540 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741372622 HLNSWBJMOYTSFH-LBPRGKRZSA-N 412.443 0.009 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742618018 SSHOHSCDSKWABM-OLZOCXBDSA-N 408.480 0.851 30 20 HCED COc1cc(C[C@H](CO)CNC(=O)C(=O)Nc2cnn(CC#N)c2)cc(OC)c1 746431488 DOZZGUSWMRSBKQ-AWEZNQCLSA-N 401.423 0.330 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 755494118 SQSRWDRGUPHHED-VDVBZYJVSA-N 408.480 0.491 30 20 HCED Cc1nn(C)c(N2CCOCC2)c1C=NNc1ccc(S(=O)(=O)NC2CC2)cn1 755635880 HOLFORSLTCNENL-UHFFFAOYSA-N 419.511 0.847 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 759056773 LGMXCMSAEVTGLZ-UHFFFAOYSA-N 400.479 0.840 30 20 HCED NC(=NOCc1nnnn1CC1CCOCC1)c1ccc(N2CCC(O)CC2)cc1 766113281 JOEAMXJWTZDQIY-UHFFFAOYSA-N 415.498 0.898 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 767638174 RFRNNKSBEUYTAB-GHMZBOCLSA-N 408.436 0.145 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCOCC 767958543 KOUOAYQUXGLDGX-UHFFFAOYSA-N 401.488 0.961 30 20 HCED CCc1nc(N)sc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 775867599 BFXBSKHQIWGBPH-UHFFFAOYSA-N 404.452 0.961 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)ccnc2Cl)CC1 778005151 SFNHFZKYIFLSJL-UHFFFAOYSA-N 405.307 0.834 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 778751630 DLAMPOVUPLMRJX-MRXNPFEDSA-N 402.432 0.897 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 782904317 ACNSPNOLFAXTIJ-AEFFLSMTSA-N 420.487 0.832 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 783541489 GHBGTWLMMOPQET-INIZCTEOSA-N 400.522 0.947 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2(C#N)CCC2)cc1 784230683 POEXYSYFZGQGLV-UHFFFAOYSA-N 407.448 0.268 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 787792029 WUZTUFZLFHDEON-WBVHZDCISA-N 412.494 0.779 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3cnccc3C#N)CC2)CC1 795040756 FUXFTCMHIXZKQR-MRXNPFEDSA-N 400.483 0.764 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)c1 798319907 XWLXIPHUZWBTET-UHFFFAOYSA-N 415.471 0.649 30 20 HCED C[C@@](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)O)c1ccccc1 799251930 YAGGRYSHYBHPLV-IBGZPJMESA-N 401.444 0.884 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800014357 YQOHKGGSQSJADC-AWEZNQCLSA-N 417.532 0.382 30 20 HCED CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)C1 805059792 FNXFLHGVFKAXFJ-NRFANRHFSA-N 419.526 0.950 30 20 HCED CCOC(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 810359064 VZKAOROTJWGEDB-UHFFFAOYSA-N 411.422 0.768 30 20 HCED Cn1cnnc1CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 810683357 DEVQVEFCDJYMRG-UHFFFAOYSA-N 403.464 0.873 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1[N+](=O)[O-] 811809858 YTENKKNAUPWUSB-CQSZACIVSA-N 414.465 0.105 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)C1=O 814150725 FEIBCNVPNMQISX-KBPBESRZSA-N 420.466 0.821 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 814389086 CBLJKDIQZBCZAX-UHFFFAOYSA-N 424.566 0.500 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(F)cc2)c1=O 838169176 RQJAAESNRRRNHW-UHFFFAOYSA-N 403.479 0.971 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCN2CCCS2(=O)=O)cc1OC 918485957 AQAOKPKSBKSACS-OAHLLOKOSA-N 423.491 0.497 30 20 HCED CC(=O)N1CCc2ccc(S(=O)(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc21 1318555124 MWDVHCWHEVAJII-ISLYRVAYSA-N 404.448 0.400 30 20 HCED N#C[C@@H]1CN(C(=O)c2cc(Br)c(C(=O)N3CCO[C@H](C#N)C3)o2)CCO1 1321469109 CZERSLFSEQRRHF-GHMZBOCLSA-N 423.223 0.771 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCOC1=O 1360647760 ZXIIUZJIVTUJNK-STQMWFEESA-N 413.504 0.469 30 20 HCED Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1472363576 VXPDVXURLOCRMF-LRDDRELGSA-N 405.480 0.425 30 20 HCED CNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1474825027 NMTVHHKQKUBOIH-UHFFFAOYSA-N 401.286 0.373 30 20 HCED CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C1 1475292951 VLNKVHKDZJDSGG-KBPBESRZSA-N 404.489 0.071 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CCC#N)CC1CC1 1517027112 ZQLWJSZTRPZQMK-UHFFFAOYSA-N 404.500 0.757 30 20 HCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCC2)c1 1519508947 JFJMQRCTZKABON-HNNXBMFYSA-N 417.491 0.992 30 20 HCED CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1565691172 XORIZCYCUXYXTK-CZUORRHYSA-N 424.548 0.899 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1COCCO1 1611674080 VNMQMEDITUJELY-UKRRQHHQSA-N 412.516 0.434 30 20 HCED Cc1cc(NC(=O)Cn2c3c(cc(C#N)c2=O)CCC3)n([C@H]2CCS(=O)(=O)C2)n1 1653108493 MDSOZLMVQINNFD-HNNXBMFYSA-N 415.475 0.712 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1657192047 ZUAQFNRUNNZGPP-ZIAGYGMSSA-N 406.505 0.317 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 1670762873 JGYXEKLKECCDPA-AWEZNQCLSA-N 409.512 0.856 30 20 HCED CC(C)N1CCC(O)(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1692486845 LCKHQYKATQOPLU-IRXDYDNUSA-N 404.515 0.746 30 20 HCED CN1CC[C@](O)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)C1 1696878544 UBUVYUGDYNNBKE-BZLDKRAPSA-N 418.542 0.992 30 20 HCED CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCOC1 1697226780 QIHQWZLFBOFINI-LJQANCHMSA-N 417.491 0.857 30 20 HCED CN(C)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1729327864 YQQAHVFJNJIOBL-IBGZPJMESA-N 419.505 0.953 30 20 HCED CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1761885339 VTTINVUEDIRYQM-HOCLYGCPSA-N 409.560 0.860 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3)CCO2)C1 1834016113 SWBINIRQRHOGJH-UWJYYQICSA-N 403.479 0.725 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(C)n1)CCO2)C(F)(F)F 1834250006 RRQLRAOHDGQRFJ-INIZCTEOSA-N 402.373 0.609 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599899 YYVWSTOHAAQQBH-OAHLLOKOSA-N 403.527 0.729 30 20 HCED COc1ccnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1OC 1834766030 STGWFIRVLKGLGM-LJQANCHMSA-N 404.423 0.082 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836220177 FFSCDANPUVOKDY-BBNMULTHSA-N 408.499 0.094 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1837394619 FCHVMSXTRYTFNL-UZLBHIALSA-N 406.483 0.063 30 20 HCED Cc1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)co1 1837561420 KAVJHVKFVXLQGV-SWHKHVPSSA-N 416.434 0.765 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837693577 WFPIDGOARWJJOM-VGOFRKELSA-N 419.522 0.902 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733083 NDGZCXXFGGEKGJ-VQIMIIECSA-N 406.508 0.911 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C2)C1 1839808741 YYMGYWGOUQBCOS-OAQYLSRUSA-N 421.494 0.333 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nsnc3NC)C2)C1 1839838406 NDUKQORIHIZINT-FZKQIMNGSA-N 409.512 0.862 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)C1 1839838876 ROSMYMIKEMBABS-FCEWJHQRSA-N 416.540 0.336 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3OC)C2)C1 1839840097 WTSNKEFJVRJEII-MGPUTAFESA-N 404.467 0.767 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1)C(F)(F)F 1839892744 DRCWWKHLUFBVPY-INIZCTEOSA-N 400.357 0.665 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccccc4o3)C2)C1 1840042859 QYZXQVIQSVPANB-NRFANRHFSA-N 412.398 0.591 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840293403 AEUMUDLBUTXLJA-LAUBAEHRSA-N 405.495 0.327 30 20 HCED CC(C)(C)OC(=O)NCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840906028 YXUXXGZUWQCLHS-HXUWFJFHSA-N 424.498 0.661 30 20 HCED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)c1 1841846715 LEWQALLRDCZBPS-UHFFFAOYSA-N 409.446 0.246 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)c(Cl)c1 1845489064 GRZMENIMHRGYJD-UHFFFAOYSA-N 412.833 0.954 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 1847436793 BBHFRONFRQBDQO-ZAZJUGBXSA-N 405.520 0.686 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(CC#N)cc1 1847786308 XNJLTSILUBMCJH-WBAXXEDZSA-N 418.519 0.896 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)Cn3c(=O)[nH]c(=O)c4ccccc43)CC2)cc1 28941101 LWAIVRVRPOUART-UHFFFAOYSA-N 403.442 0.906 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 42652556 YQTUOQVRBLAATF-UHFFFAOYSA-N 401.510 0.258 30 20 HCED Cc1nnc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(C#N)c1C 52100385 CEPDAAIZHPCTAY-UHFFFAOYSA-N 401.496 0.924 30 20 HCED C=CCN(C(=O)CCNS(=O)(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 63656070 YXMJFNDBGBVMLZ-CYBMUJFWSA-N 404.485 0.696 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2c(F)cccc2Cl)CCO1 409501466 MXQBPFPUROMALB-IINYFYTJSA-N 402.835 0.421 30 20 HCED N#Cc1c(CCCNS(=O)(=O)N2CCO[C@H](C#N)C2)nn(-c2ccccc2)c1N 409572236 SSVYZPCKAUMABJ-OAHLLOKOSA-N 415.479 0.318 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 410123034 OCCWDASCHVCCRZ-MAUKXSAKSA-N 407.540 0.810 30 20 HCED C=CCN1CC[C@@H](N(Cc2ccccc2)c2c(O)nc(=O)n(CCOC)c2N)C1=O 410419226 LQIZYBCICAIZPQ-MRXNPFEDSA-N 413.478 0.971 30 20 HCED Cc1nsc(N2CCN(C(=O)c3cnc4c(c3)c(O)nc(=O)n4C)CC2)c1C#N 427587682 KODIOQLLUWGASY-UHFFFAOYSA-N 411.447 0.633 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3[C@@H]3CCCC3=O)CC2)o1 439444909 BWBXGJBHYMTAJD-RDJZCZTQSA-N 401.467 0.573 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 443370642 JBBMFZPTZFDUHC-UHFFFAOYSA-N 414.465 0.701 30 20 HCED Cc1cc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1S(N)(=O)=O 447003908 VVIBWPLICNIJAH-UHFFFAOYSA-N 414.491 0.941 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H](CO)[C@H]2CCCO2)n1 448387463 OGVPKAXHTYWNNW-UKRRQHHQSA-N 403.826 0.992 30 20 HCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(=O)c1C#N 460425695 IRBUSCJUAORGLS-UHFFFAOYSA-N 414.487 0.703 30 20 HCED COC(=O)Cc1nc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)n[nH]1 460538771 KCVKANAXAXIZGI-UHFFFAOYSA-N 400.214 0.955 30 20 HCED C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 461663987 PMJWSQRPMWDUCW-YJBOKZPZSA-N 406.508 0.358 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465417547 OOVYYOLMRXMMFU-ZDUSSCGKSA-N 408.418 0.811 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475985818 SYZZMVCZNUZACV-SJORKVTESA-N 404.492 0.589 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484599 TWXBPHHLNUOYFF-GBESFXJTSA-N 416.478 0.779 30 20 HCED CCOC(=O)c1cnn2c(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)ccnc12 490369640 QZLQVENRQWOYAC-ZDUSSCGKSA-N 420.433 0.919 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cn1 491589950 VZFMHYUEKVCTPC-UHFFFAOYSA-N 417.857 0.663 30 20 HCED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](CNS(N)(=O)=O)C1 500218450 IXCLAYJNDBMTFM-LSDHHAIUSA-N 411.503 0.966 30 20 HCED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)nn1CCC#N 505032992 PMWHMKJQAGJHLK-UHFFFAOYSA-N 410.481 0.200 30 20 HCED Cc1cc(NC(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nn1CCC#N 505082034 PKNVXIDDGOADRC-SPLOXXLWSA-N 417.429 0.916 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c2ccccc12 508344167 BSLZTQRVCCKKGY-UHFFFAOYSA-N 422.401 0.610 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 508360538 IHGCWNSINHWGBL-UHFFFAOYSA-N 420.311 0.973 30 20 HCED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 509675998 REPUCDWKJBQSIY-ZDUSSCGKSA-N 400.464 0.960 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(OC(F)F)cn3)CC2)nc1 511079583 ZFAIDUGNVATFSO-UHFFFAOYSA-N 416.388 0.915 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 515918288 WYLFICIVPPCBAO-HNNXBMFYSA-N 420.535 0.576 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 524890811 LDDOYVNZTCYKSA-UHFFFAOYSA-N 412.471 0.917 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CCO1 534912038 BBTYFMITSLPYCY-INIZCTEOSA-N 411.418 0.700 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 543919373 FASTZYRGTZCUGU-UHFFFAOYSA-N 403.399 0.534 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)nc1 551137257 WMFNZYIHZULYEF-KRWDZBQOSA-N 420.477 0.177 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 557732447 RYZVQWWBBQVRIU-SFHVURJKSA-N 402.470 0.809 30 20 HCED COCCCN1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 561114796 UJZYTSBVMWKBMM-UHFFFAOYSA-N 414.510 0.219 30 20 HCED CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H](C)S1(=O)=O 561775293 AWKCDCVTSJAHHZ-ZFWWWQNUSA-N 413.521 0.916 30 20 HCED COc1ccccc1[C@@H](CO)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 564035767 YNHXUGMUBKSSBI-MRXNPFEDSA-N 420.429 1.244 30 20 HCED CCN1C(=O)CO[C@H](C(=O)Nc2n[nH]c(CCCNC)c2C#N)[C@H]1c1ccccc1 565743829 OABZBAWSGKMQRR-MOPGFXCFSA-N 410.478 1.360 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 570437367 UZXAMTYGXZHOEG-LLVKDONJSA-N 401.872 0.872 30 20 HCED C[C@H](N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1)C(F)(F)F 571606053 CATIFWMFMKJWFN-LBPRGKRZSA-N 404.414 0.932 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCc4ncsc4C3)C2=O)cc1 575087632 DIIWNZKWZHMXOE-INIZCTEOSA-N 409.471 0.817 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1F 577990868 DZCXGMIMWDYGAG-AWEZNQCLSA-N 412.443 0.241 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 582994961 CBRMLVHFPTWEJN-OAHLLOKOSA-N 414.491 0.672 30 20 HCED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)CCO2 587640005 HHZLYPXPJQQXDW-YCRPNKLZSA-N 413.478 0.445 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2=O)cn1 609805509 GAEMXGSQJBXNNA-QGZVFWFLSA-N 408.466 0.760 30 20 HCED N#Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nc2n1CCS2 609815047 PRLREULXVZPSTN-UHFFFAOYSA-N 409.449 0.727 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 610797087 DSNLWAFWAGNDAR-WBVHZDCISA-N 406.508 0.548 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 610797982 RWTCFFBQJMLSRR-OAHLLOKOSA-N 419.507 0.585 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCN(CCC#N)CC1 611174649 JPWJGYUQPLIDLM-OAHLLOKOSA-N 423.539 0.804 30 20 HCED C=CCN(CC1CCCCC1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 671359364 QIQRVJOTQLUXOO-UHFFFAOYSA-N 414.572 0.275 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 675601182 VAOYTQKVMBQLPV-OAHLLOKOSA-N 413.434 0.036 30 20 HCED C=CCNC(=O)CNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 679822130 WXWDERICUJGLCH-DOTOQJQBSA-N 423.535 0.526 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 728570408 CGLCCUZHVPOMDE-OAHLLOKOSA-N 415.494 0.348 30 20 HCED CCS(=O)(=O)C[C@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733291761 MRHFDYJRRZQOKM-LBPRGKRZSA-N 401.510 0.445 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)C[C@H]2CCCO2)c1 734138713 KDBDAPSUUHUPSA-MRXNPFEDSA-N 408.476 0.782 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21 737307792 UQPOBYJCEGPFSL-HLAUDOPJSA-N 409.446 0.645 30 20 HCED C[C@H](CC(=O)N(C)CCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742658553 WZTCQEXTZFNMCY-MRXNPFEDSA-N 421.567 0.600 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)[C@H](C#N)C1 749521795 XIYOOTNIUSDTKP-CHWSQXEVSA-N 403.526 0.878 30 20 HCED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 749671143 JWLRNYYHIMYAHB-FQEVSTJZSA-N 416.401 0.940 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCC2)c1 752435347 KRUJDLDVVBITKY-PGMHBOJBSA-N 407.496 0.260 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)[C@@H](C#N)C1 754385813 OYKLRMNKQKQRPO-SWLSCSKDSA-N 421.479 0.688 30 20 HCED C[C@H]1NC(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)=NN(c2ccccc2)C1=O 757156888 MKNJGVBCVXKGAW-HUUCEWRRSA-N 418.461 0.724 30 20 HCED CCN(CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(C)(=O)=O 758386331 CENSUSKXMWELKF-UONOGXRCSA-N 417.532 0.716 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C(=O)C2CCCC2)C1 762200553 NCXGYXIFTYNZNO-AWEZNQCLSA-N 404.492 0.632 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCCC3)C2)c1 762594815 SJWVANCXGFBLHT-SFHVURJKSA-N 405.520 0.925 30 20 HCED CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 767676551 PSAARQLVJGCSMO-PBHICJAKSA-N 423.491 0.652 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)nc1 767989167 BQLYUMDVBCWMKN-UHFFFAOYSA-N 417.433 0.973 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3cccs3)c2=O)cn1 772314837 PWFRZENOPHWRQI-UHFFFAOYSA-N 411.512 0.760 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 773396037 FATYTZZNMVSGIZ-UHFFFAOYSA-N 407.492 0.910 30 20 HCED C[C@@H](CC(=O)NCCCCCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 774097181 WDLBJCXQRUKFCC-ZDUSSCGKSA-N 415.537 0.835 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)c1 783458331 CRXBQZIPZPIELX-UHFFFAOYSA-N 422.441 0.828 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(C(=O)N(C)OC)cc2)c1 783463091 YQHBUFIEWMXBBC-UHFFFAOYSA-N 408.414 0.995 30 20 HCED COCCNC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 783673390 NLAZMGOLZNXYQG-IUODEOHRSA-N 402.407 0.458 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 785204715 XUWYGJQWKIVYQF-JEOXALJRSA-N 402.382 0.271 30 20 HCED CC(=O)N1CCC[C@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 794021236 WLHMSIYFVKVYHN-OAHLLOKOSA-N 406.508 0.880 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 795088794 NMVJYBKTFMNJKC-UHFFFAOYSA-N 413.521 0.053 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)N2CCN(c3cnccn3)CC2)cc1 795816265 HOFJFQUPXPIWGR-SFHVURJKSA-N 404.430 0.923 30 20 HCED CC(=O)N[C@](C)(C(=O)OCC(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 797515400 QZOGUULAJOOCQK-SFHVURJKSA-N 421.475 0.547 30 20 HCED C#CCN(CC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 799200545 CHWZZOKCISMCOZ-UHFFFAOYSA-N 406.464 0.113 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 803937918 YUDJPKJYIJONOK-KRWDZBQOSA-N 420.491 0.773 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)CC1 804898295 ILSCMCRJQYHZGH-AEFFLSMTSA-N 403.527 0.849 30 20 HCED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 804936216 LRMJMCITDSHWJR-UHFFFAOYSA-N 401.466 0.644 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCc4ccccc4OC3)CC2)c1C#N 807700571 KZYIIDMOOWOOHQ-QGZVFWFLSA-N 422.489 0.759 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1)[C@H]1CCCO1 809307972 IJYDBMIQXSICIT-YESZJQIVSA-N 411.524 0.136 30 20 HCED 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WRAKVHCUXQAHNE-AUUYWEPGSA-N 407.492 0.560 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1831420202 UQWCOYDDPRVXCK-LAUBAEHRSA-N 419.478 0.508 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831743532 UICVTOFBOPNTHZ-CJNGLKHVSA-N 400.526 0.563 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832934896 VPDYVCQLWLXFHY-PKOBYXMFSA-N 410.540 0.753 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1833091852 OXZGJWMHONDONB-FQEVSTJZSA-N 412.450 0.162 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3cnccn3)CC2)CC1 1833370933 WOCZCXMCHMKELD-KRWDZBQOSA-N 413.522 0.629 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3C)CCO2)C1 1834034963 IOHSUKOHTKSMQQ-UTKZUKDTSA-N 401.463 0.498 30 20 HCED CN1CCN(CCC(=O)NC2CCN(C3CCN(C(=O)CC#N)CC3)CC2)CC1 1834623131 JUKOILFAFAZDLM-UHFFFAOYSA-N 404.559 0.109 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCOc3ccc(F)cc3)C2)C1 1834754197 YTSAPANCMZQRAJ-FQEVSTJZSA-N 405.426 0.965 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1834755912 GBTQBBDHZBQBQV-IERDGZPVSA-N 418.494 0.148 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc5c4OCC5)C3)C2)CC1 1835342123 RGCDOBCJGHQJSL-QFIPXVFZSA-N 411.458 0.995 30 20 HCED COc1ncccc1CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835354789 BSIMMCHHHFNYTA-OAQYLSRUSA-N 416.478 0.783 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1835717065 IZTPYUYUPAXSBP-CRAIPNDOSA-N 408.543 0.266 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835985111 CABPBDUMABOGHF-HXUWFJFHSA-N 422.551 0.728 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836198885 GWNJHVDWDDRNEQ-UWJYYQICSA-N 420.510 0.221 30 20 HCED CC(C)Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)n(C)n1 1836334925 GMRGTTMWFGFHLC-OAQYLSRUSA-N 417.510 0.992 30 20 HCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836358894 GEQNCKVFIHKVHS-PMACEKPBSA-N 422.570 0.264 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836505976 HNVGVLIUYACWID-SIKLNZKXSA-N 414.506 0.211 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2 1837224394 OHRNGJUNIVFDDT-FPOVZHCZSA-N 408.495 0.834 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1837395000 NJRBGZJFVXBHLV-DYESRHJHSA-N 420.510 0.372 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)n1 1837561589 WHKBTSWFXFRYGP-XACCNFBGSA-N 415.450 0.202 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccncc3O)CC2)CC1 1838447069 PYFMSHWSOPCRBG-UHFFFAOYSA-N 401.419 0.487 30 20 HCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CNC(N)=O)CC3)CC2)cc1 1838593585 NHJGGADXZVBZKU-UHFFFAOYSA-N 413.478 0.839 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccccn4)C3)C2)c1 1838732416 PQRXULZUKVOMEN-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085042 UOSIEXMEHUZQSS-FVJLSDCUSA-N 405.495 0.420 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1839223733 GUYIVTPEJCAGMA-UZLBHIALSA-N 411.499 0.670 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1839643695 SBODGRLATABUNJ-HLIPFELVSA-N 412.531 0.584 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)OC(C)(C)C)CCO3)C2)C1 1839986239 KITXRXOKFXKZRW-NRFANRHFSA-N 423.510 0.934 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCCn4ccnc4)CCO3)C2)CC1 1840382612 OWCBUZYEHKDBTH-FQEVSTJZSA-N 401.467 0.423 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cc(C)cn3)CCO2)C1 1840402428 DNUUKEAQALFZRX-WAOWUJCRSA-N 418.494 0.247 30 20 HCED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)no1 1840813151 HKFAGGDEGFUQRG-IBGZPJMESA-N 403.439 0.071 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)ccc4O)C3)C2)CCC1 1840815485 SWSXJUUZCLFRLQ-NRFANRHFSA-N 415.446 0.862 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CN4CCOC4=O)C3)c2c1 1841485006 WHOKYMFGLIQJGT-UHFFFAOYSA-N 408.418 0.704 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CNC(=O)C(F)(F)F)cc1 1847309152 RDHUMZSDJRTYBQ-GJZGRUSLSA-N 408.380 0.981 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)c1 10666031 AJTOOPQZDAVMJZ-UHFFFAOYSA-N 401.510 0.305 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cnc3nc(O)[nH]c(=O)c3c2)CC1 52676970 WDHUFCKHEJMOJQ-UHFFFAOYSA-N 407.390 0.723 30 20 HCED CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)n1 409498302 DRUDXWDRXXUTAO-KGLIPLIRSA-N 400.505 0.621 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncccc1S(C)(=O)=O 428031674 LLRVNDRDNJNEND-GFCCVEGCSA-N 422.488 0.340 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433899939 ZZLWKUICLMAYPN-AWEZNQCLSA-N 417.441 0.027 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C(N)=O)n2)c(Cl)c1 440958051 WHDSSYNWEOSUJF-JSGCOSHPSA-N 414.853 1.496 30 20 HCED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471028018 KIRZSOGCXXDGNY-CQSZACIVSA-N 411.462 0.897 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccccc3-n3ccnn3)CC2)c1C#N 472861735 XHISZFLFWXVZCN-UHFFFAOYSA-N 419.449 0.468 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@]1(C#N)CCc2ccccc2C1 474660124 LHUOPPJJZFUWHS-IBGZPJMESA-N 406.508 0.388 30 20 HCED COc1ncc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1C(N)=O 474874400 BHRGIRRLOAJKHS-UHFFFAOYSA-N 403.420 0.320 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 475841664 QXWOSXQWUBARHW-UHFFFAOYSA-N 400.418 0.731 30 20 HCED CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476062462 RTUCGTQQTCXFHO-LJQANCHMSA-N 411.506 0.720 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)C(=O)OC 481772898 CUSXOIYFYGOERF-AWEZNQCLSA-N 416.434 0.868 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CN3C(=O)C(=O)N(C)C3=O)c(C#N)c2N)cc1 498155980 LGMHCIMHUXFPEC-UHFFFAOYSA-N 423.433 0.104 30 20 HCED C=CCOc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1OC 505963109 VOICJXPPNGKPRB-UONOGXRCSA-N 410.492 0.929 30 20 HCED CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)s1 509334884 ODZZRPHKNQPGDS-WDEREUQCSA-N 418.483 0.929 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 509962859 HAWHJOCQDINPJA-MRXNPFEDSA-N 405.524 0.672 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)(C)CN(C)C 513468704 JIWIDVDDNLJFQJ-QAPCUYQASA-N 413.522 0.868 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)nc1 515986766 ALDWSQWFKHYUMJ-UHFFFAOYSA-N 417.477 0.956 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 517993401 BJOLHRGMQLDMGY-LBPRGKRZSA-N 422.488 0.772 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 521698656 JFSGIQZXDSYUAU-UHFFFAOYSA-N 417.447 0.692 30 20 HCED N#Cc1cccc(OCCCCC(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 521963248 OICPHKRTMPMWRY-MRXNPFEDSA-N 407.492 0.917 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1CCOCC 523464598 FFQJBLVIORHPHH-UHFFFAOYSA-N 418.544 0.770 30 20 HCED CCn1c(SCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nnc1N1CCOCC1 539271857 DGMQIFFNGLOGCT-MRXNPFEDSA-N 421.571 0.919 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542932333 QTOGZPZPFHDNKZ-UHFFFAOYSA-N 422.488 0.555 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(O)nc1=O 546213615 KSMMAQOPUPSFSA-UHFFFAOYSA-N 411.466 0.459 30 20 HCED Cc1cc(C#N)cnc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 549767358 JKCBANLFSONHJF-UHFFFAOYSA-N 414.491 0.539 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 552591674 HQBFSXAYHJZSDX-UHFFFAOYSA-N 402.495 0.503 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cn4ccccc4n3)CC2)c1C#N 559430085 NXPLVXFGXTUIGG-UHFFFAOYSA-N 406.450 0.213 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)c2c(C)nn(C)c2C)CC1 565971988 JUOGZYFEWJPAAV-MRXNPFEDSA-N 404.515 0.051 30 20 HCED CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 579859988 PGJBSBNQDGCEDU-ZDUSSCGKSA-N 401.423 0.996 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2cccc(F)c2)CC1 580840779 ICKIOYRVMGEQOY-OAHLLOKOSA-N 406.458 0.156 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCN1C 588224611 WXSCQLAVVKTUJK-ZFWWWQNUSA-N 400.483 0.671 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@H]2C1 588866029 HXNWMYGVBGOVJJ-NEWSRXKRSA-N 409.490 0.722 30 20 HCED COCCN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 588866535 ZCFIALCGUJQHHL-ROUUACIJSA-N 414.462 0.434 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 603593932 XPSVNPSELKPBPK-QZTJIDSGSA-N 419.503 0.569 30 20 HCED CC(C)[C@@H](C#N)N1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 609539335 XRVVEUQQABOVOQ-QGZVFWFLSA-N 401.577 0.328 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(F)c1 610267954 BPLUDVMACMQZES-UHFFFAOYSA-N 414.440 0.522 30 20 HCED COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1C#N 610993104 CQVFVTGBWVCLNX-UHFFFAOYSA-N 404.448 0.765 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 612850119 SPSHEXRTRMTFRK-UHFFFAOYSA-N 406.446 0.529 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CC[C@@](F)(C#N)C2)CC1 615540660 WCMOCWMPQHQNSH-GOSISDBHSA-N 409.487 0.770 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 617038247 XRHHFPPVDXSHKN-IAGOWNOFSA-N 419.507 0.382 30 20 HCED C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 670223291 WYZNNIHXBULIOU-UHFFFAOYSA-N 405.547 0.983 30 20 HCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O 725768293 YJMGFZBEYHSIQO-HNAYVOBHSA-N 419.507 0.544 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 727010948 RWTVWUURWPVEGC-MRXNPFEDSA-N 409.398 0.787 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 728571161 WZZLECWFJGZMPL-KRWDZBQOSA-N 411.506 0.507 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCS(C)(=O)=O 729674581 KRRMADCEXXVTQB-UHFFFAOYSA-N 410.542 0.744 30 20 HCED COCCN1CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 730787621 NUBHHDCTMDNUCU-DOTOQJQBSA-N 422.551 0.977 30 20 HCED C[C@@H](CC(=O)NCCCNc1ncccn1)/N=C1/NS(=O)(=O)c2ccccc21 742594799 DNLGJFQFQNKPIN-ZDUSSCGKSA-N 402.480 0.912 30 20 HCED C#CCNC(=O)C1CCN(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 747796614 VAJPEVMPQQFGJE-UHFFFAOYSA-N 402.476 0.500 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)OC)cc2)CC1 747993587 MLBFBGMIGQOWHJ-UHFFFAOYSA-N 400.435 0.816 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 751064300 QJQUSNGLNYLTDZ-UHFFFAOYSA-N 418.454 0.505 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(S(C)(=O)=O)ccc2NCCOC)CC1 760465303 REGHOCLPBVFNPQ-UHFFFAOYSA-N 408.524 0.338 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1 761030287 FVRLDJAMJOMXDZ-KRWDZBQOSA-N 408.499 0.715 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 761032583 LCORMHQWXUHSGE-UHFFFAOYSA-N 417.535 0.635 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2=O)n1 761143057 RKGJCZHDVDEPRW-AWEZNQCLSA-N 414.397 0.712 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)CNC(=O)c1cccnc1 766398379 QNLLRXITXPKAOE-KGLIPLIRSA-N 416.459 0.982 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCCn2nc3ccccn3c2=O)c1 768779655 YUZDPAVLLZBPED-UHFFFAOYSA-N 414.443 0.655 30 20 HCED Cn1c(N)c(C(=O)COC(=O)c2cn(CCCC#N)c3ccccc23)c(=O)n(C)c1=O 769543974 NOYNPAIHUZFCIG-UHFFFAOYSA-N 423.429 0.964 30 20 HCED Cc1noc(C2(C)CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 781394364 DPSUNWUPJKOWNI-UHFFFAOYSA-N 403.464 0.997 30 20 HCED COCCN(C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 782958443 FNJRJZDDHGPSLU-UONOGXRCSA-N 409.464 0.578 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 783346635 GQIYUUZPXPFJNK-UHFFFAOYSA-N 401.872 0.697 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 783479961 HEKYLGYCTHJWON-LBPRGKRZSA-N 419.381 0.610 30 20 HCED CN(CCCNC(=O)COC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)S(C)(=O)=O 795815339 BKKPVNFSFJYFTC-MRXNPFEDSA-N 406.464 0.181 30 20 HCED Cn1nncc1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 798795516 ZTMIHLSKYWTAOB-UHFFFAOYSA-N 411.378 0.440 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 805542482 PGJFGILJDUXEPN-QGZVFWFLSA-N 417.462 0.670 30 20 HCED C#CCONC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 812783542 UREHXTHLPCANEM-BMQCOBNYSA-N 400.478 0.061 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)COc2ccccc21 816129013 GNKFJNQAEWIOHX-UHFFFAOYSA-N 416.371 0.697 30 20 HCED O=C(CC1(CC(=O)N[C@@H]2CCCN(O)C2=O)CCCCC1)N[C@H]1CCCN(O)C1=O 816756450 XSMXIWREMSRVCO-GASCZTMLSA-N 424.498 0.710 30 20 HCED C[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(N)=O 822354877 PMYPYXIALIXNSN-NSHDSACASA-N 410.452 0.412 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[C@@H](C#N)C(=O)N2CCCC2)c1 916871320 LJCFPXIPVNEIPZ-OAHLLOKOSA-N 408.480 0.210 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(CC(=O)NC)CC3)ccc2c1=O 917524489 YQGIWWUWSKJXEX-UHFFFAOYSA-N 401.492 0.375 30 20 HCED C=CCCn1cc(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 964203809 IPQQQSIRKYTVLF-GZHKEPGYSA-N 401.467 0.235 30 20 HCED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@@H](C)CC(=O)N2)nn1 1003050037 PILNLERTEAXHNB-IETPZCKNSA-N 400.483 0.631 30 20 HCED N#CCSCC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1065708694 HTVWFWLOVPYWEL-FWCYYJLNSA-N 404.536 0.412 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](O)CN3CCCC3=O)CC2=O)cc1Cl 1137456525 QTGOMPZYAAQDTN-DZGCQCFKSA-N 404.854 0.664 30 20 HCED CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1211615036 UVSZACHVOLZWLP-UHFFFAOYSA-N 408.299 0.490 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1288525803 QGOMYAJXYGKCLC-CHWSQXEVSA-N 403.530 0.353 30 20 HCED COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318158534 VIBUSMHNVCPLQT-JSGCOSHPSA-N 402.407 0.315 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCC2CCC(C#N)CC2)c1 1448377516 QULYXMHBSJPSLY-UHFFFAOYSA-N 413.521 0.815 30 20 HCED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC(O)(CC#N)C1 1473414956 WMIMSEFSRALVOB-UHFFFAOYSA-N 422.507 0.769 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1503119221 RZZURHOEFRRLOM-INIZCTEOSA-N 417.466 0.971 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CO)c1 1541927921 RYDRHYZHEDQMNQ-SCLBCKFNSA-N 422.486 0.871 30 20 HCED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033954 LRJUOMLCKSIADQ-KSSFIOAISA-N 423.473 0.936 30 20 HCED CN(C)C(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1653881514 ZOOQXBLIYGEBCN-MJGOQNOKSA-N 401.486 0.945 30 20 HCED CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1695867910 IPSCOEYQRFAHGX-SJLPKXTDSA-N 413.530 0.433 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1698483974 MGNWVQOWJKDADQ-XYPHTWIQSA-N 413.475 0.511 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCOC1=O 1707911743 NQZAHFJQKLDFJH-AWEZNQCLSA-N 411.470 0.806 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1C[C@@H]1C 1723952442 LGIFGCBTUZINRR-RZLSGREXSA-N 407.544 0.721 30 20 HCED COC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1)OC 1730459119 GJKFCWORWJCIPI-ZIAGYGMSSA-N 414.532 0.680 30 20 HCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCO1 1760667496 YHHGGHXPIKMVLB-QGZVFWFLSA-N 421.465 0.335 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1cnn(C)n1 1760689504 YJXZUNACPUHDQS-STQMWFEESA-N 409.520 0.245 30 20 HCED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766755992 CRXLOMGDASGNIA-BCOMRZATSA-N 419.555 0.346 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067728 ZOXHIXLQWAHAJU-KKSFZXQISA-N 405.495 0.040 30 20 HCED CN(C)c1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)o1 1779135168 VWWCYKUAFQBKBG-KQBANSRISA-N 415.450 0.896 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779315220 CMOZJBFURDYWIZ-SIKLNZKXSA-N 413.474 0.019 30 20 HCED CC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779444902 UXUKIWIXLIQOOX-ZYPDDKLUSA-N 404.467 0.349 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ncccc3Br)C2)C1 1779653264 HSDUCBAKGMSEKH-QGZVFWFLSA-N 422.235 0.376 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1779827406 DEMQOYANIIBEHA-NGXITPROSA-N 415.494 0.284 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nn1 1780333876 KGPIKAZQNMHUDU-FQEVSTJZSA-N 410.434 0.832 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1CN(C)C1)C2 1780739904 WKCMVAXGUXFVLZ-DYESRHJHSA-N 407.511 0.571 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cnc(OC)cn1)CCO2 1781266917 FAMPCGJRCSKMSE-FQEVSTJZSA-N 418.450 0.438 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H]3CNC(=O)C3)C2)c1 1781779847 YRSZGELMZDFFCY-JBYIUTFZSA-N 410.474 0.822 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cncnc5)CCO4)C3)c2c1 1782194948 SEGCOORVRQFZHJ-OAQYLSRUSA-N 417.429 0.982 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782957258 OBLWZTKGTMBURT-NQIIRXRSSA-N 416.499 0.445 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nn(-c3ccccc3)c3c1COC3)CCO2 1783049035 OERKBGOJTLBULG-QFIPXVFZSA-N 406.442 0.979 30 20 HCED CC#CC[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)CNC(N)=O)C2)C1)c1ccccc1 1785628728 AFYFTCKRERITTL-AVRDEDQJSA-N 412.490 0.682 30 20 HCED Cc1ocnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786859082 IVSSWPITJHSHOP-JYJNAYRXSA-N 403.483 0.858 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(OC)cn3)[C@H]2C1 1787757493 KZOCOBWMMHMTNX-YEWFCNIMSA-N 401.463 0.722 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1789891737 QCLSCQSCKJXAOU-QAETUUGQSA-N 421.494 0.002 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588365 GRDPRLRJVXORMH-NUXNZHGMSA-N 424.523 0.495 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(S(=O)(=O)CC)cc3)[C@H]2C1 1790777080 CNPHLKXFLVEWKO-WDSOQIARSA-N 418.515 0.636 30 20 HCED CC(C)(C)n1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)n1 1791073912 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C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 437040893 QSMWCYWLJFLDQN-WMLDXEAASA-N 403.435 0.625 30 20 HCED CC[C@]1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 442885945 MYJZIYDSQBAVBR-HXUWFJFHSA-N 420.535 0.892 30 20 HCED CCCc1c(NC(=O)C(=O)N[C@@H](CCOC)C(N)=O)cnn1-c1cccc(C#N)c1 443693147 NQHFGKWLGYNEFH-HNNXBMFYSA-N 412.450 0.642 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 461374140 QHPHIFZSFZESKE-CVEARBPZSA-N 410.565 0.966 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN(CC#N)CC3)CC2)c1 465136675 CEXRYXDSTLMXSE-UHFFFAOYSA-N 405.524 0.115 30 20 HCED CC(C)[C@@H](NC(=O)CNc1ccc(C#N)cn1)C(=O)N(C)Cc1nnc2n1CCC2 473588731 QQTRFUBYUYJZME-LJQANCHMSA-N 410.482 0.702 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(OCC(F)(F)F)nc2)C1=O 476123555 PNNXSBZWEVKTDL-UHFFFAOYSA-N 414.340 0.658 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](CO)[C@@H]3CCOC3)CC2)cc1 482686563 WGOIHQRAXULZON-QZTJIDSGSA-N 421.519 0.720 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1ccc(F)cc1 483123473 PHHVEIBQNCTNJJ-BBRMVZONSA-N 421.450 0.920 30 20 HCED CC#CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 483426437 DWSGNYXMMXMEIO-UHFFFAOYSA-N 406.464 0.447 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCn4ccnc4C3)CC2)cc1 488569433 CHGDTJPZYPFYKJ-MRXNPFEDSA-N 414.491 0.786 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 504411917 SQBVNXXARATXIM-DOTOQJQBSA-N 419.507 0.634 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccc1F 504730428 BIQUZGLVCJDOKB-HNNXBMFYSA-N 424.454 0.289 30 20 HCED C=CCc1ccc(OCC(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(OC)c1 505956793 LVGGHZOINLIZEV-ZBFHGGJFSA-N 424.519 0.858 30 20 HCED C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508472086 INTIVCAESRIKAT-HNNXBMFYSA-N 407.434 0.062 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 509535901 GZCUMRZRFGGRCT-UHFFFAOYSA-N 410.433 0.205 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 513602512 GXPCYWYUCMZYJS-UHFFFAOYSA-N 407.492 0.898 30 20 HCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 517336197 KWWIQNGFUXAEBU-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CCN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 520595455 DBIRLJJSHRDTDG-UHFFFAOYSA-N 419.551 0.419 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 532201507 YTYKATIWIAPVNB-DZGCQCFKSA-N 413.521 0.651 30 20 HCED C=CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 537498446 ZTYFQSSBOSWAPJ-UHFFFAOYSA-N 404.286 0.731 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 540102783 HWIAHKHFKXKWRT-UHFFFAOYSA-N 402.411 0.777 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC 544220559 VEMKPFOPDNKWMA-UHFFFAOYSA-N 416.203 0.732 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CC2)n1 551279686 ICKYIOQVPONZDU-AWEZNQCLSA-N 424.427 0.602 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 552676596 SIKAPFZQMMKFEB-QGZVFWFLSA-N 417.491 0.979 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(CS(C)(=O)=O)CC2)cc1 560147054 JBQDVKFCPKLKOJ-UHFFFAOYSA-N 407.492 0.824 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(O[C@H](C)CC)c2)CC1 578095993 PRHJKENGKNWFAI-MRXNPFEDSA-N 417.510 0.322 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 581480669 KQABEPOWVLDZOL-AWEZNQCLSA-N 420.491 0.826 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(-c3ccccn3)c2)CC1 583225368 ZJJPCYFLDZRYEA-UHFFFAOYSA-N 421.501 0.811 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN3CCC[C@@H]3C2)CC1 585725225 KFCCGZFIVRORJV-JKSUJKDBSA-N 412.494 0.815 30 20 HCED CN(C)CCNS(=O)(=O)c1ccc(NC2CCN(CC#N)CC2)c([N+](=O)[O-])c1 609333697 CWMYQNQXMJAOCF-UHFFFAOYSA-N 410.500 0.835 30 20 HCED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1 609402299 GRFHCXSSGXOUHD-UHFFFAOYSA-N 403.508 0.911 30 20 HCED Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NCC#N 609414411 GMHMWXANYPNCCW-OAHLLOKOSA-N 411.505 0.589 30 20 HCED CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 727010297 UJOHXIQMZXACDB-FUHWJXTLSA-N 414.462 0.580 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)CC1 728532790 JXMGTPFPBARVBL-INIZCTEOSA-N 420.535 0.271 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)CC1 728533892 CQEBHARPKZGASB-UHFFFAOYSA-N 413.503 0.220 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O 729396024 OYSDXLUCFAZCLF-CYBMUJFWSA-N 408.455 0.679 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1=O 730254912 ANWWWXIYHOBBJV-AWEZNQCLSA-N 407.471 0.100 30 20 HCED C#CCOc1cccc(COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 730403194 XQQVRVKMDWZNMJ-OAHLLOKOSA-N 404.444 0.907 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCOC 730802608 CDJVXUZPCPTVEO-UHFFFAOYSA-N 423.441 0.100 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)c1 731124867 PHBRBOZWPLGORG-UHFFFAOYSA-N 401.444 0.862 30 20 HCED CS(=O)(=O)CCCC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 731287327 COAIFKLTWYLTSL-MRXNPFEDSA-N 422.463 0.777 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(S)n1C 731437992 BORJGIIODPYRDX-LBPRGKRZSA-N 422.536 0.873 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 746509611 NQHCBNAUDATASM-UHFFFAOYSA-N 411.439 0.885 30 20 HCED COc1cc(C(=O)NCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc(OC)c1OC 748212308 HOJOYQWFVMFIJD-UHFFFAOYSA-N 407.423 0.746 30 20 HCED C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1(N2CCOCC2)CCCC1 748351078 OIIOWVCEGIIGSS-OAHLLOKOSA-N 420.535 0.875 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 749968058 FHFAXFRMNTZJKY-YJBOKZPZSA-N 405.480 0.296 30 20 HCED COC(=O)c1c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n[nH]c1C 751480707 VZIJXFAMZSIAKD-NSHDSACASA-N 413.456 0.638 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O 763458266 OPVHRAFJEJILSR-UHFFFAOYSA-N 407.517 0.021 30 20 HCED COCCCCS(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 766974599 MRWHOICPZWSDFW-LBPRGKRZSA-N 417.509 0.376 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCN(C2CCOCC2)C1=O 767625893 FBHZWYRPLQZXSA-DYVFJYSZSA-N 421.475 0.548 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 775188509 AZSMNFMVGNRHSD-KTNMXJNISA-N 422.507 0.739 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)[C@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 780607335 PKFGLOQNASHCND-NEPJUHHUSA-N 415.493 0.129 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 783474775 IYMSFPMRHAVVGM-KRWDZBQOSA-N 419.503 0.660 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3cnn(CC(=O)NC4CCCC4)c3)nc12 784284012 NXPHHSNAKPSOJF-UHFFFAOYSA-N 409.406 0.919 30 20 HCED CC[C@H](NC(=O)[C@@H](C#N)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1 787045902 LJMBUPXNTIDSEM-GJZGRUSLSA-N 422.445 0.410 30 20 HCED CN1CCC(N2CC[C@@H](N(C)C(=O)C(=O)NCCNc3ncccc3C#N)C2)CC1 787757230 CRWYPJMHYKFFGG-GOSISDBHSA-N 413.526 0.108 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2Cl)c1=O 790427676 JSRXJVMDHOBCKO-UHFFFAOYSA-N 419.915 0.620 30 20 HCED C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C2=O 793200602 CTYKFZJBUSJARX-SGTLLEGYSA-N 410.496 0.873 30 20 HCED COC(=O)c1cc(F)c(Br)c(S(=O)(=O)NCC(=O)NCC#N)c1 796216046 AWCOQXLZPQLDRD-UHFFFAOYSA-N 408.205 0.293 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 807356698 GAURNPWYWWVALI-ZUOKHONESA-N 416.409 0.755 30 20 HCED CC(C)[C@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 807451545 OWPLOTIBZDEZFP-AEWZPABSSA-N 424.523 0.819 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2C[C@H](OCC)C23CCC3)n1 807607887 LXMWVUARPHVVIZ-ROUUACIJSA-N 402.495 0.955 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 810983176 KQSVYLHNNNYUIN-UHFFFAOYSA-N 401.485 0.620 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCCN3CCC[C@H](C(N)=O)C3)NC[C@H]2C1 849086929 HONXJCNBISDEDY-HOTGVXAUSA-N 408.547 0.454 30 20 HCED COC[C@@H](C)NC(=S)NN=C(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916281874 VSNVEXBDPBFFQB-CYBMUJFWSA-N 414.553 0.931 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 917272378 PEEAAMVEEDJXRP-NHYWBVRUSA-N 404.402 0.848 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CC(C)C 917765533 PBNSOFYULRYKFA-UHFFFAOYSA-N 420.560 0.987 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 918956294 CNZGBMPNGSXGIA-SPLOXXLWSA-N 412.446 0.931 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 1003082121 UNSRFMADFZMVIJ-JSEZXORMSA-N 404.467 0.158 30 20 HCED C=CCN(CC=C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCO1 1201033423 NLWMWISHIZTFJV-SIFVSHMBSA-N 403.523 0.818 30 20 HCED CC(=O)NCCc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)s1 1251902443 NACUQOUOLMAAQU-NXVVXOECSA-N 412.493 0.231 30 20 HCED Cn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1314917441 XAKUEBCFGWSOHE-SUMWQHHRSA-N 404.500 0.487 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 1321189305 KCJUMRXAARTWTQ-GOSISDBHSA-N 400.504 0.962 30 20 HCED N#CCN1CCC(NC(=O)c2ccnc(C(=O)NC3CCN(CC#N)CC3)c2)CC1 1338785537 WAMWIQKOXWLSEZ-UHFFFAOYSA-N 409.494 0.517 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1509954408 PGJXSDZREJRDLZ-UONOGXRCSA-N 406.516 0.698 30 20 HCED N#Cc1cc(Br)ccc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 1540823517 NSLFJHQOROUJEF-GFCCVEGCSA-N 414.281 0.744 30 20 HCED C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1541815845 QVSHJGZAHBMMGH-VLIAUNLRSA-N 414.466 0.580 30 20 HCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1541995579 QMFIOXATWXUSOS-LJQANCHMSA-N 416.507 0.953 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCC1 1663381132 IORGPXULBBSBRR-INIZCTEOSA-N 418.516 0.930 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCn2c(CCc3ccccc3)nnc2C1 1671196881 WSKXRRXLXUYBGE-UHFFFAOYSA-N 418.523 0.986 30 20 HCED COCCN(CCC#N)c1nnc(C2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1698061428 PGBFKEHNXQNHGF-SFHVURJKSA-N 411.528 0.852 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1768452906 OJAHFZJGZLLXDI-AWEZNQCLSA-N 418.479 0.166 30 20 HCED CS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770360965 UMNFOFDNBBGRHS-MRXNPFEDSA-N 416.511 0.066 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1770729451 ZLUITDJBLWHBEE-UGSOOPFHSA-N 424.502 0.668 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1779104866 OWNMEEJQCJUPTP-FVSHYKRFSA-N 416.478 0.983 30 20 HCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2CCN(C)CC2)C1 1780642076 KVPYAAVKDGITCZ-MIZPHKNDSA-N 418.582 0.940 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)cc1 1780700710 VEKYGBGIFUSAPM-NRFANRHFSA-N 407.430 0.259 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(Cl)c1 1781967606 NJWUUEBCTVWXTP-OXJNMPFZSA-N 416.865 0.934 30 20 HCED COc1cccc2[nH]cc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)c12 1782375437 HPFFYNVLSMRNNA-OAQYLSRUSA-N 411.414 0.708 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1782408571 TYDFNNFIDAKJNM-QRQCRPRQSA-N 411.458 0.663 30 20 HCED C[C@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)[S@](=O)c1ccccc1 1782686803 OILQSPDVXBCBMX-BOJHJPPOSA-N 418.471 0.101 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H]5CNC(=O)C5)C4)C3)c2c1 1783167471 CKMTYGRZBZQXSY-LHSJRXKWSA-N 422.445 0.014 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(F)n3)C[C@@H]21 1783531097 CHUKVWPNLPTGLE-ORJIFFBCSA-N 416.453 0.672 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783754806 PKMGXEFSFMQFIG-QHCPKHFHSA-N 409.486 0.881 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1784495650 ZXOMRVFJCNNAFG-FHWLQOOXSA-N 403.479 0.896 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@](C)(O)C(F)(F)F)[C@H]2C1 1784873010 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405.495 0.490 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CNc4ccc(F)cc4)C3)C2)CC1 1835342532 GADQMHBXVCGSSG-NRFANRHFSA-N 416.453 0.998 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(Cl)ncn4)C3)C2)CC1 1835344588 LWJIYXYYSDWICV-SFHVURJKSA-N 405.842 0.504 30 20 HCED COC[C@@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835840248 HWSHRQDIWOZJDG-HXUWFJFHSA-N 418.538 0.123 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836191539 QHYIIVBGDVQDBG-UWJYYQICSA-N 418.494 0.881 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1836506283 XRPUWVFMLTWFGQ-ZWCUEREDSA-N 416.522 0.620 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccnc(F)c3)CC2)CC1 1836975049 RNJBSYLSDBVASW-UHFFFAOYSA-N 403.410 0.921 30 20 HCED CC[S@@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837247087 MEKHNFXVMRCXNL-HMILPKGGSA-N 411.524 0.295 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)NC(=O)NCC)CCO3)C1 1837374053 BIXDBXJWGSIWST-MGPUTAFESA-N 408.499 0.117 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1837395226 TXRCLPKEEBBYPN-OXQOHEQNSA-N 407.467 0.626 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447278 WVCMVZVHAHPLML-NPJIFZGSSA-N 422.526 0.530 30 20 HCED CC[S@](=O)CCC(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838363176 YNCLJYHQBANTNK-NDEPHWFRSA-N 412.508 0.232 30 20 HCED COCc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1 1838513159 YJPIJBUJEIIFSW-FQEVSTJZSA-N 404.467 0.781 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1C(F)F 1838709256 FQBKKMZOZBKSQL-YVEFUNNKSA-N 418.466 0.975 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)c4ccccc4)C3)C2)c1 1838734549 AIWXEDAJJBFAGQ-JOCHJYFZSA-N 422.441 0.839 30 20 HCED COc1cc(OC)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1 1838933593 WDRBTIYRMZBXAU-HXUWFJFHSA-N 403.435 0.687 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)cc1 1838949908 CIMGWFGIEWKGNC-NRFANRHFSA-N 409.446 0.525 30 20 HCED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950512 MCLLMSMBWYSXRF-HXUWFJFHSA-N 410.434 0.071 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839120782 UXQKLPFAHOQBEL-NHCUHLMSSA-N 409.527 0.568 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1839838456 IDWZCILXUKKHEO-UTKZUKDTSA-N 409.527 0.961 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1)C(F)(F)F 1839893429 YMPASZULAJIZTO-OAHLLOKOSA-N 405.329 0.569 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840158877 SHVJWLZQHPSYNC-BZNIZROVSA-N 400.888 0.518 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nccn34)C2)C1 1840163926 SQHHRBMXGNODQP-KUHUBIRLSA-N 404.492 0.723 30 20 HCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)CC1 1840164727 PSYFIEBWKDTFBJ-DYVFJYSZSA-N 400.497 0.104 30 20 HCED Cn1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1840465725 PEKMOBXQROVETF-JOCHJYFZSA-N 423.473 0.604 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)CCC1 1840814194 SYGQMEORWIOHBO-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)C(C)(C)C#N)C2 1841223166 FXVRZCZXAYNXHQ-WBVHZDCISA-N 412.490 0.919 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)ON=C(C)C)C2 1841582196 MUWBFJCAIFQCDY-UONOGXRCSA-N 402.517 0.319 30 20 HCED N#CC1(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)C2)CCC1 1842060659 IVAZBGCEEVOECD-CYBMUJFWSA-N 411.462 0.890 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844672848 XITKZGQIXMLDHL-MRXNPFEDSA-N 401.492 0.861 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C2 1845959805 IDYDBVQVORBPFK-CQSZACIVSA-N 407.467 0.670 30 20 HCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1848298467 GATOGHVBXLDRQU-OAMJUWHHSA-N 415.450 0.525 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CC(=O)Nc2ccccc2Cl)c1=O 27500380 IVEKQSHXJRYVMA-UHFFFAOYSA-N 419.869 0.725 30 20 HCED COc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 50107728 LRYKQEXNCJVWHT-UHFFFAOYSA-N 401.423 0.102 30 20 HCED CCOc1cc(C#N)ccc1OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 53177496 FPLNINFVBABVIV-INIZCTEOSA-N 407.492 0.667 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 108392374 HWFIFXCPIPXBSU-UHFFFAOYSA-N 422.507 0.361 30 20 HCED COc1cc(CN2CC[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2)cc(OC)c1 409483340 ICRHHZDCYOTEBE-MAUKXSAKSA-N 410.496 0.337 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)n2)c1 409684520 FKOUOBOGQXMBEG-UHFFFAOYSA-N 422.474 0.992 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 429307056 IXYRWLLFSHJEDL-MCIONIFRSA-N 417.470 0.025 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N1CCc2ccc(C#N)cc21 433650069 QNKIEKVHJCZOGD-JHNDHUHGSA-N 411.414 0.399 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 441512409 MMQKTTNIJVPFOT-IRXDYDNUSA-N 407.478 1.329 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CC(=O)Nc2ccccc2OC)CC1 441640586 AWLSLYCBGYZQFH-HNNXBMFYSA-N 403.483 0.652 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1 443260899 IWPPSRKFMBJAOB-JQJKNKOQSA-N 419.503 0.659 30 20 HCED COCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 444507085 KLBACPUVNSMFIT-UHFFFAOYSA-N 424.461 1.217 30 20 HCED C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 447786122 DODIRJQXLFOVQF-ZDUSSCGKSA-N 404.496 0.655 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)no1 460473883 VMSCRGVJMMEVOD-UHFFFAOYSA-N 409.512 1.343 30 20 HCED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3)CC2)c1C#N 461200059 FTSZDAFKMINTOK-UHFFFAOYSA-N 405.505 0.950 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)C1=O 461422573 DFYRCMHNZBFWSV-MSOLQXFVSA-N 410.474 0.944 30 20 HCED COC(=O)C[C@@]1(NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCOC1 464612206 XGBPXJGIRWALKG-KXBFYZLASA-N 406.508 0.769 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 464742149 VKTJGMJAUWPUGZ-UHFFFAOYSA-N 403.464 0.310 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 466483762 YKFDUOWYRRGYHH-ZIAGYGMSSA-N 409.468 0.942 30 20 HCED N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O 466483833 YCPYSVKMDIJOCM-OAQYLSRUSA-N 408.462 0.839 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2cccnn2)CC1 469949771 DTQVWOYFIZQYJW-CQSZACIVSA-N 414.491 0.800 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 470177125 PTXJEVDIYQXKAX-GXTWGEPZSA-N 414.422 0.671 30 20 HCED Cc1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc(S(N)(=O)=O)c1C 471671631 PJTLFLXFOMQCRA-UHFFFAOYSA-N 416.507 0.827 30 20 HCED COCCC(=O)N1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472083493 MCDZSKZIDXHOIN-UHFFFAOYSA-N 417.514 0.459 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 476280444 CQFQGCIKBJAXJD-OALUTQOASA-N 400.479 0.201 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 482193100 NQUDIEBCRNDQGF-YNEHKIRRSA-N 401.510 0.505 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 482415757 PSVGOJZRUWWOHV-MLGOLLRUSA-N 418.500 0.986 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc3c2OCO3)c1=O 488991504 HWQPWCCGHGIJMV-AWEZNQCLSA-N 410.451 0.933 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O 500818425 WFEHFCRLBVRJQK-SNVBAGLBSA-N 405.270 0.844 30 20 HCED C=CCOc1ccc(CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 506175693 UUIYODWEJFJTKM-UHFFFAOYSA-N 423.429 0.452 30 20 HCED C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)CCCS(N)(=O)=O 507512900 VFXFAZXQPLCEID-UHFFFAOYSA-N 414.509 0.804 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NCC)CC1 508919184 GQORDXMTDNWPJZ-UHFFFAOYSA-N 408.470 0.958 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508921892 NRQHZGNYSBHULQ-HNNXBMFYSA-N 424.509 0.901 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CC(=O)N(C)C)CC3)CC2)o1 511196579 DAEIYZAXSFXYLS-UHFFFAOYSA-N 402.499 0.694 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 512166348 SUKQHFMQWADBKD-SFHVURJKSA-N 406.508 0.826 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)nc1 514325378 SFSKWCWYECTXOA-UHFFFAOYSA-N 412.494 0.732 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 514979807 PLZVGMGSNWIOFA-UHFFFAOYSA-N 405.432 0.836 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 519290992 FYYPZSXDZYMMAN-INIZCTEOSA-N 420.491 0.859 30 20 HCED C=CCN(CC(=O)N1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccc(OC)cc1 521525174 FCJCNSBYVZZOGO-UHFFFAOYSA-N 421.519 0.953 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 523744495 UMXIGUZALFLWAC-UHFFFAOYSA-N 423.441 0.797 30 20 HCED N#Cc1ccccc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 523760516 DMOAQACKALUMEV-UHFFFAOYSA-N 406.489 0.717 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCNS(C)(=O)=O 524281917 GYNJBOZXKQMMEJ-UHFFFAOYSA-N 419.528 0.187 30 20 HCED CNCCCc1[nH]nc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c1C#N 536306410 QQOLCINWWOFIOF-UHFFFAOYSA-N 423.481 0.763 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 557991409 LGSJHSSRYJBXNK-UHFFFAOYSA-N 420.473 0.872 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCCn2cccn2)CC1 559662311 BEOTYOJOXIPBAC-UHFFFAOYSA-N 423.433 0.858 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1cccc(C#N)c1 562835395 ZGENHBVQEWECOA-CYBMUJFWSA-N 400.460 0.683 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)nc1 566903491 RLTQOSZUUKPBRR-UHFFFAOYSA-N 424.436 0.605 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(OC(C)(C)C)n1 572554965 LOXDSEJXHDPIMC-UHFFFAOYSA-N 413.482 1.143 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCN(C(=O)C3CC3)CC2)n1 573171620 RWDRGKHKCFKFBL-UHFFFAOYSA-N 407.434 0.548 30 20 HCED N#Cc1cnn2ccn(CC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12 574118731 ORTRTOSPRZEGMO-UHFFFAOYSA-N 414.447 0.667 30 20 HCED Cn1c(=O)c2cc(NC(=O)C(=O)N3CCc4ccc(C#N)cc43)cnc2n(C)c1=O 578838363 YXWHGRUZXPBOCL-UHFFFAOYSA-N 404.386 0.032 30 20 HCED CCn1c(O)nnc1C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589452660 IEJATMZMJSGBGS-UHFFFAOYSA-N 418.479 0.560 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 609413369 JAKAKAZJCABEEY-AWEZNQCLSA-N 410.521 0.790 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 609668196 JJDKARNVQLXXBI-QGZVFWFLSA-N 401.511 0.731 30 20 HCED C=C(C)COCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611656474 XOHZLBCWYMMXLR-HIFRSBDPSA-N 413.452 0.428 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CC1 685181599 LCCQOMRNRWZZMH-HUUCEWRRSA-N 418.460 0.918 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(C)s2)c1=O 725763883 XMKONAKRWJBSME-UHFFFAOYSA-N 404.517 0.493 30 20 HCED N#C[C@@H](C(=O)CCN1CCCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 727954187 MEKOITROKSWDAF-KRWDZBQOSA-N 413.434 0.965 30 20 HCED C=CCNC(=O)c1ccccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 728074874 MASJBYFHONJSRD-ZDUSSCGKSA-N 418.475 0.706 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 728533420 IKGMKJBSECKFBI-UHFFFAOYSA-N 423.922 0.540 30 20 HCED N#Cc1cccc(OCC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1 732095841 YZQKCQCZUIRGPN-GOSISDBHSA-N 421.519 0.675 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(CC)c2)c1=O 732561075 FOUSKIWBTUDWBN-UHFFFAOYSA-N 415.519 0.358 30 20 HCED CCS(=O)(=O)NCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831041 OASWHUFGMSARDA-CQSZACIVSA-N 408.436 0.246 30 20 HCED C#CCSCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 739825411 MPDHVXSKDUXNJD-OAHLLOKOSA-N 418.562 0.251 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)cc1 748750269 OMJLSAFYDZJTEJ-MRXNPFEDSA-N 409.533 0.885 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3nc(-c4cccs4)no3)CC2)CC1 748815653 NXWWAPFXIARBAJ-UHFFFAOYSA-N 414.535 0.693 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCCn2cnc3c(N)ncnc32)cc1 748872881 RJVRTUGOZBAJPC-UHFFFAOYSA-N 414.447 0.828 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(C[C@H]2CCCO2)CC1 750854375 SWRUPNNWFCFQPC-MRXNPFEDSA-N 420.535 0.829 30 20 HCED CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)CCNS(=O)(=O)CC)ccc1OC 756174737 JSDWHZCBCQRKOJ-AWEZNQCLSA-N 419.525 0.735 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758756260 XJRJGOUBVAJHQK-RDBSUJKOSA-N 415.516 0.469 30 20 HCED C=CCN(CC(=O)O)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 762050188 ITFIHKHRKSUFPP-UHFFFAOYSA-N 408.480 0.855 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCC1 771071942 QHJFCTUSEWICCY-AWEZNQCLSA-N 407.427 0.386 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCCO1 773790426 AWCRFQXETNNGJO-DLBZAZTESA-N 407.492 0.953 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)[C@H]1CCCO1 773797268 MQTZEYWGUYBYRE-WMLDXEAASA-N 422.507 0.238 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)nc12 775233302 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HCED CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)C1 804983330 MGDQQZZYJDBMKL-MRXNPFEDSA-N 407.515 0.996 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccnn2C)c1 807469564 JHIVPTYGAZEQLK-RCCKNPSSSA-N 404.452 0.810 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CCCOCC(F)(F)F)CC1)[C@@H]1CCCO1 809305977 LSQCYZYXTIHYBQ-CABCVRRESA-N 405.417 0.397 30 20 HCED C#CC[C@]1(C(=O)NCCOCCS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809693577 YAKDXKHLNPBJDV-GOSISDBHSA-N 402.513 0.957 30 20 HCED Cn1c(=O)c2ccc(C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)nc2n(C)c1=O 913375377 PDVGJJWWPPRSJE-INIZCTEOSA-N 419.397 0.466 30 20 HCED C[C@H](C#N)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1115905147 UYRSYQHACKAHFY-HIFRSBDPSA-N 401.510 0.386 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CC2)nnc1N1CCO[C@@H](C#N)C1 1314628730 KJFVDKZERLSZRY-IRXDYDNUSA-N 401.515 0.827 30 20 HCED C[C@H](C#N)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1318426961 SBULSEALAXDIJU-BGVIPNPZSA-N 413.521 0.656 30 20 HCED 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LUBCRMYCJKBWQW-IFQVXRHPSA-N 413.496 0.625 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)C1 1843859053 KWUAFWBGIKXCNS-INIZCTEOSA-N 410.474 0.582 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc(CC#N)cc2)C1 1845411133 LKQDBHVKULVMFG-OAHLLOKOSA-N 418.519 0.897 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)Cn3ccncc3=O)C2)c1 1845767721 XDWJVUHYLWETTH-UHFFFAOYSA-N 407.430 0.641 30 20 HCED CN1N=C(C(=O)N2CC3(CCCN3C(=O)COc3ccccc3C#N)C2)CCC1=O 1846979436 UMUMHBCQTZOXDI-UHFFFAOYSA-N 409.446 0.749 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)n(C)c(=O)n2C 1847801959 BTLSSECDDKUNBI-JLSDUUJJSA-N 410.474 0.731 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 9253865 IUMDXQMAWKEBQL-QLFBSQMISA-N 405.451 0.907 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCCS(=O)(=O)c2ccc(F)cc2)c1=O 108964561 KPVGKGPBRNZSAA-UHFFFAOYSA-N 409.439 0.547 30 20 HCED Cn1c(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(C#N)c(=O)n(C)c1=O 301169998 SZOFTJYNTLPVGE-UHFFFAOYSA-N 405.817 0.711 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC 427686886 SVCSMOQOJYAIOJ-NWDGAFQWSA-N 404.423 0.468 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Nc1cnn(CCN2CCOCC2)c1 428846386 QNBNRUQERDUIAI-UHFFFAOYSA-N 405.503 0.295 30 20 HCED CS(=O)(=O)C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 429009396 OSDYHGYPDIBGBH-QFBILLFUSA-N 422.526 0.901 30 20 HCED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc2F)c1 429468754 JFOIYEUBYYEGNG-UHFFFAOYSA-N 420.422 0.620 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCS(=O)(=O)C1 433638383 TYDFURHCSCCHAN-JTQLQIEISA-N 401.391 0.991 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)c2)c1 440521140 ZKZGNNCKMGIPFU-QGZVFWFLSA-N 406.398 0.997 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(c2nc(N)ns2)CC1 440558817 ILZWADYZVVSJSY-UHFFFAOYSA-N 409.479 0.938 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442041659 HUEJNYYQWAISPR-DGCLKSJQSA-N 401.448 0.639 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)n1 445183376 OEKRXWPZGVNUSH-UHFFFAOYSA-N 402.386 0.510 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCCOc1ccc(C#N)cc1OC 460487330 FJKGVWZDOGUYAR-CQSZACIVSA-N 410.448 0.524 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc(CO)c(F)c1 460592128 RKCQNDNRQMJZLM-UHFFFAOYSA-N 408.393 1.334 30 20 HCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(=O)c1C#N 467204329 CFHFDWJWTIMCFU-UHFFFAOYSA-N 418.450 0.701 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 471315687 GGEMFESXIPIJKG-ZDUSSCGKSA-N 407.535 0.844 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)c1C#N 472076062 YQAHFCFGFCEJIS-MRXNPFEDSA-N 416.530 0.019 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 475065440 SGIMXAICBFAZBY-UHFFFAOYSA-N 416.463 0.708 30 20 HCED CCO[C@@H]1C[C@@](O)(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1(C)C 475378090 XMNRXXIQWSHIAV-FOIQADDNSA-N 412.450 0.760 30 20 HCED CCn1cc([C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1 481933673 HPGMZCGHEQZWBC-SFHVURJKSA-N 417.491 0.995 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nc(N)ns2)CC1 482860100 QGOUYOQBCYGVRR-LLVKDONJSA-N 421.508 0.008 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCC(=O)NCC(F)F)ccc1OCC(F)(F)F 485300158 HXNTUDBDGSFLRX-UHFFFAOYSA-N 408.283 0.935 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487509111 DDIUYAIVITZMBP-DLBZAZTESA-N 404.492 0.878 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 494469863 DVWCPLLGPPFQBA-FXAWDEMLSA-N 403.502 0.533 30 20 HCED COc1cc(C(=O)N(CCC#N)CCN2CCOCC2)cc(Cl)c1OCC(N)=O 502477378 LUCNQWLKRMPTHL-UHFFFAOYSA-N 424.885 0.901 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CN(C)C)C2)cc1 503276897 SOUVNUIBXWLODJ-HNNXBMFYSA-N 408.524 0.842 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 507839749 YSWHJRBNPVDXRX-INIZCTEOSA-N 409.494 0.723 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 510584332 LZMZXLOAFPHOBI-GFCCVEGCSA-N 416.516 0.704 30 20 HCED CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)N(CCC#N)CCOC)s1 510710584 CFEZXIVPSJOWGF-RYUDHWBXSA-N 418.545 0.760 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCSC 512720927 PXRDCYTUPBQRMQ-UHFFFAOYSA-N 405.549 0.518 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 516691682 SFAHZOWKKNWWLX-HNNXBMFYSA-N 409.464 0.407 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 518445139 ATEWQSCNPZQADQ-HNNXBMFYSA-N 418.450 0.436 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(OCCN3CCCC3)CC2)c1 519847922 KURACVLYDGQVNK-UHFFFAOYSA-N 420.535 0.940 30 20 HCED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1cc(C)nn1CCC#N 525885385 UOUCOTWMFPGRJD-KRWDZBQOSA-N 403.531 0.918 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Cl)cc2F)c1=O 526082137 LZKGRHXOQRGBAL-UHFFFAOYSA-N 409.870 0.988 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)c(F)c2)c(=O)n1Cc1ccon1 531684470 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423.473 0.297 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 561512016 LLUZIZQVJFLPTE-GOSISDBHSA-N 411.549 0.851 30 20 HCED COC1(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC(C)CC1 567268423 YTUVCEAHBULGAJ-UHFFFAOYSA-N 416.526 0.960 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2oc3ccccc3c2OC)CC1 569392760 YMTHZOSVDYFTJX-UHFFFAOYSA-N 414.462 0.504 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 578692839 ITNANPDZTBHBPI-RDTXWAMCSA-N 411.462 0.249 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 579294692 ULFUXZRPIITDGF-STQMWFEESA-N 409.464 0.556 30 20 HCED CCO[C@H](CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(C)C 579403882 RHQZJAWIJNQQHE-QGZVFWFLSA-N 404.515 0.816 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 579865114 JFKLPPASZRQXAF-UHFFFAOYSA-N 418.479 0.436 30 20 HCED COCCCN1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 583516523 AVKLOZXLEJSXFD-UHFFFAOYSA-N 414.510 0.219 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCOC[C@H]3CCOC3)C2=O)cc1 588107125 YEVKLHCPVDFRLI-FUHWJXTLSA-N 414.462 0.339 30 20 HCED CC(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603940430 PLGCUXOBTIWUBR-KRWDZBQOSA-N 404.492 0.792 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 613307286 NCMIJFIZTMWFFB-UHFFFAOYSA-N 402.432 0.610 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cn1 618877990 QPRJUYHWTMPXQI-SFHVURJKSA-N 423.477 0.175 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CSc2nnnn2CC(F)(F)F)cc1 730071042 KHDZMDNRBPQEHA-UHFFFAOYSA-N 406.371 0.704 30 20 HCED CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732899440 VNWHFFJMTGURRI-MZMVGHNJSA-N 424.523 0.961 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 735922416 BJANAISORRMEDX-UHFFFAOYSA-N 407.492 0.294 30 20 HCED COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(C#N)cc1 740235903 FIFLOVLDBDUYJO-QGZVFWFLSA-N 420.447 0.726 30 20 HCED 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0.171 30 20 HCED COC[C@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)S)sc2C1 1826022748 BREUOIAYMDJJOY-PEXQALLHSA-N 400.526 0.525 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)C=CC3=O)sc2C1 1826310236 MQOIUYRXJAUDIM-SNVBAGLBSA-N 401.448 0.530 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCN2CCOC2=O)CC1 1828385962 JWWKPZLHXGTBCN-MRXNPFEDSA-N 405.451 0.536 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831125784 ZOXLCZXAOWKIAO-UKKLRFBMSA-N 422.526 0.530 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1831418704 FHELCYXMOGXHSU-SQGPQFPESA-N 410.511 0.585 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCCNC(=O)OC(C)(C)C)CCO2 1832055642 MCTRIQGVRYBAEB-OAQYLSRUSA-N 423.510 0.771 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cn3nc(C)sc3n1)CCO2 1832109791 DWUUAMUHGRDQGD-LJQANCHMSA-N 419.507 0.674 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3cccc(Cl)c3)C2)C1 1834758540 OZYLYAXKUYGZPS-IEBWSBKVSA-N 406.870 0.710 30 20 HCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768775 OHNSXUISWRVCIJ-YRNRMSPPSA-N 405.451 0.112 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3c[nH]c4ncccc34)CC2)CC1 1835318704 VAZORJZZXQXISY-UHFFFAOYSA-N 423.473 0.836 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nn[nH]c5c4)C3)C2)CC1 1835346439 AZSQFNOLLHQHQY-FQEVSTJZSA-N 410.434 0.332 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1835675532 VDVDIUNCQAOQDN-KKSFZXQISA-N 424.542 0.132 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836042169 RYEQEAKXNCTHQY-JXFKEZNVSA-N 423.535 0.715 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837113510 HXFXQRXLFGDNTG-KUHUBIRLSA-N 404.492 0.723 30 20 HCED CN1CCN(CCC(=O)N2CCC(OC3CCN(C(=O)CC#N)CC3)CC2)CC1 1837634083 BSGBABDMJSRZDK-UHFFFAOYSA-N 405.543 0.536 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838067325 AGNGEPDKXXCRJL-YWZLYKJASA-N 404.467 0.954 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(CC)n3)CCO2)C1 1838135270 DGTKHSGWHUFMLA-HRAATJIYSA-N 421.494 0.880 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838513439 RSZLNYAYFDWWDO-SFHVURJKSA-N 403.464 0.732 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839497186 YLYDAUGKUBLJDC-OAQYLSRUSA-N 411.462 0.954 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c(O)cccc13)CCO2 1839606232 MMFOTKRTTFQEQW-OAQYLSRUSA-N 410.430 0.924 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1839887622 CMSROKMFQHVKKR-QGZVFWFLSA-N 406.426 0.317 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nccn4c3)C2)C1 1840160909 XNYUKFWIYWJHKF-LIRRHRJNSA-N 404.492 0.723 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840362055 DWDZALKKQCCLIM-YWZLYKJASA-N 401.467 0.275 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840855244 BHAQKEMMHHZHAX-DHSIGJKJSA-N 401.529 0.066 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840872557 XMGLAHKFWDVSAJ-GJYPPUQNSA-N 400.541 0.824 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCCC4)CCO3)C2)CCC1 1840941568 SJGRKHPPSOMQEK-NRFANRHFSA-N 404.511 0.623 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnn2cc(C)cnc12 1847261744 DORRKNUQRJGJQC-FEFZKZJHSA-N 408.462 0.712 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848069961 CYIQJJBQTAGROQ-SQNIBIBYSA-N 409.552 0.687 30 20 HCED COc1ccc(C(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1[N+](=O)[O-] 21681287 CJRBPCBLRQEPSK-SFHVURJKSA-N 406.395 0.931 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC(=O)NC(C)C)CC1 106032125 NHBCGTBUKAQQSN-UHFFFAOYSA-N 411.510 0.819 30 20 HCED Cn1cc(-c2nc([C@@H]3CCCCCN3S(=O)(=O)N3CCO[C@H](C#N)C3)no2)cn1 409510563 MZQIWHVCSFSWPO-CABCVRRESA-N 421.483 0.856 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)C1=O 410113074 MYZCHLVXYGRWNO-HOTGVXAUSA-N 423.539 0.673 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 410119886 FFIDGKVNZISMSP-HNNXBMFYSA-N 414.553 0.907 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccc(C)o2)CC1 430050715 CQZWCQYTZKTKPB-UHFFFAOYSA-N 414.466 0.218 30 20 HCED CN(CC(C)(C)C#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 432259261 OHSCYKWNTOQHOE-UHFFFAOYSA-N 401.510 0.878 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433897419 OEEOFJGPLIPNDK-CQSZACIVSA-N 419.457 0.321 30 20 HCED N#C[C@@H]1CN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 434469473 BSUQZOVYYPDDCL-SJLPKXTDSA-N 404.442 0.777 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)c1=O 436044089 WLBUPOCUPVZZRP-UHFFFAOYSA-N 424.413 0.695 30 20 HCED Cn1nc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1OC(F)F 446525944 DCKACLNTEHQSOO-UHFFFAOYSA-N 400.386 0.034 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ncc(C(F)(F)F)s2)CC1 463703118 OCSAXOCHEQKVHP-UHFFFAOYSA-N 405.402 0.547 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(Cc2ccco2)CC1 464860485 QHQZCXNCPWVIFH-KRWDZBQOSA-N 409.494 0.796 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 471108831 SXIYXRHGBPEMDU-OALUTQOASA-N 416.503 0.894 30 20 HCED CCN(CC)CCO[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 472281069 WVHDPLQICVFJOP-GOSISDBHSA-N 418.542 0.936 30 20 HCED CC(=O)N(C)c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472882101 QGEOAWBPFMESFM-UHFFFAOYSA-N 423.477 0.870 30 20 HCED CO[C@@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483727599 PCUXNWNHIMQSOO-QZTJIDSGSA-N 420.535 0.938 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 485740025 VJPQNIRFXMIWJY-AEFFLSMTSA-N 418.519 0.679 30 20 HCED Cc1c(C(=O)[C@H](C#N)c2nc(N)nc(=Nc3ccccc3)[nH]2)nnn1-c1ccn(C)n1 495520670 HJTGQTIULRIKHD-ZDUSSCGKSA-N 415.421 0.732 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(CCOc3ccccc3C#N)CC2)C[C@@H](C)O1 497609240 BNJMGCZMKLTNNU-IAGOWNOFSA-N 408.524 0.909 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)C1=O 500009899 FCHJNQDSVAFQRE-AWEZNQCLSA-N 420.514 0.403 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(C#N)cc21 507637212 XQHVCLGCLHDJFJ-JKSUJKDBSA-N 404.492 0.672 30 20 HCED CN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC(CO)CC1 514629608 SIPWMRXPSSYQET-ACBHZAAOSA-N 412.490 0.785 30 20 HCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C1=O 516485898 QQGHVPHUFBTLOV-UHFFFAOYSA-N 418.413 0.466 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 517243672 ZSFMZOKSTLLOQN-UHFFFAOYSA-N 422.913 0.766 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 530893050 VMOQXMOJFQPOHJ-JTQLQIEISA-N 400.485 0.447 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CNC(=O)C(C)C)C3)CC2)o1 532529918 QITXSRKOMFXGLQ-KRWDZBQOSA-N 416.526 0.988 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 535285831 GIHATTLPRUSVFR-UHFFFAOYSA-N 418.494 0.730 30 20 HCED COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 538268088 AXXRVFUIPDTRHD-HZPDHXFCSA-N 406.508 0.721 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1 538478611 ZJBVEJCOWQZHHQ-ZDUSSCGKSA-N 401.510 0.257 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549263106 BWOKPRSNOOADMG-CYBMUJFWSA-N 402.459 0.822 30 20 HCED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 549676887 JZNHOJBQKMOORZ-GOEBONIOSA-N 402.499 0.879 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c3ncccc3c2)CC1 555968627 HSIMITHYDQLJJA-UHFFFAOYSA-N 411.462 0.628 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)CC2)c(F)c1 557125544 BTSQRNOTJOFPFJ-MRXNPFEDSA-N 404.442 0.658 30 20 HCED COc1cc(OC)cc([C@H](NC(=O)NCCn2cnc(C#N)n2)c2nccn2C)c1 558159504 OYCYRBNXDIKBJZ-KRWDZBQOSA-N 410.438 0.989 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 564535916 HYVICXCKDUCAOV-MSOLQXFVSA-N 419.503 0.569 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 565923982 UMPBPTVQNYBPIE-UHFFFAOYSA-N 407.473 0.556 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 568120227 RMIDDBCYENHKGX-WMZOPIPTSA-N 401.511 0.547 30 20 HCED COCC1(O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 569341035 WYYZNRZRVOAATB-KRWDZBQOSA-N 414.462 0.170 30 20 HCED N#Cc1ccc(S(=O)(=O)CCNCc2ccc(C(=O)N3CCOCC3)cc2)nc1 570884508 IXQXAJSGSNPSNM-UHFFFAOYSA-N 414.487 0.989 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 571207724 FWWMDNWLMPVFKP-KBXCAEBGSA-N 413.482 0.895 30 20 HCED CCn1cc(-c2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)c(O)nc1=O 579884951 ZRXDREXJUXDAGC-UHFFFAOYSA-N 416.419 0.878 30 20 HCED N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN(C(=O)Cn2cnnn2)CC1 587185587 IUSORRZUKZMZKZ-UHFFFAOYSA-N 402.340 0.859 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2ccc(CC(N)=O)cc2)n1 589429407 CCNYZBAQZRWBTR-UHFFFAOYSA-N 420.404 1.166 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCCn3nc4n(c3=O)CCCC4)cc2)c1N 608924834 OTZMCNAIIGAMME-UHFFFAOYSA-N 406.450 0.841 30 20 HCED N#C[C@H]1CN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 609626474 CBVCVFDMATWSSZ-KRWDZBQOSA-N 414.487 0.949 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cn1 613105487 XQUASGYEJPTIDT-IAGOWNOFSA-N 409.450 0.135 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(S(=O)(=O)CCCC#N)C1 732218900 RBJDJGQUEUNINA-AWEZNQCLSA-N 402.517 0.973 30 20 HCED CN(CC(=O)NCc1cccs1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 732963776 AKFLDCXNISWUBE-UHFFFAOYSA-N 406.489 0.561 30 20 HCED Cc1ccoc1C(=O)NCCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 737713600 SLABJPGLTPHZIH-UHFFFAOYSA-N 404.448 0.563 30 20 HCED COc1ccc(OC)c(CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746355200 VSBVIDRDDPGDGM-UHFFFAOYSA-N 412.450 0.707 30 20 HCED CN1/C(=C\C(=O)CN2CCN(CCS(N)(=O)=O)CC2)C(C)(C)c2ccccc21 746488376 RSHOPYPXQPFRMS-RGEXLXHISA-N 406.552 0.773 30 20 HCED N#Cc1c(NCCC(=O)N2CCN(c3ccccn3)CC2)cccc1S(N)(=O)=O 754988817 HFXLNRQKCQVBLR-UHFFFAOYSA-N 414.491 0.751 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 757291800 LRBKSIHMKJJHAK-CQSZACIVSA-N 417.433 0.605 30 20 HCED 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20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224263 IYNIBWGPKWZDAN-UTKZUKDTSA-N 400.479 0.389 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C(C)C)C2)C1 1831395926 BUHRKQSNKLEMGG-DYESRHJHSA-N 418.494 0.572 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1831483676 NLZVXKIOJWNVGU-JTDSTZFVSA-N 400.541 0.966 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)CC1 1831982266 WCKOUZGEOGJVMH-SJLPKXTDSA-N 415.490 0.569 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(C)=O)CC2)CC1 1833093343 BBQRLMGKEXDQED-OXQOHEQNSA-N 420.554 0.511 30 20 HCED CCC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833422049 UGLBGVHXTWXRJR-HNNXBMFYSA-N 403.527 0.776 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465895 WDTFVHVFEAMGDC-QVQQHXNLSA-N 421.523 0.685 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834591058 HCEWMKRUQIDTMW-VQIMIIECSA-N 410.492 0.664 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCCS4(=O)=O)CC3)CC2)CC1 1834604488 WQTZOZMPSJRGDM-KRWDZBQOSA-N 422.551 0.439 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1834763703 SKADEPZTUCHPEM-GOSISDBHSA-N 418.841 0.595 30 20 HCED Cc1ncncc1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835100394 QOYUGBDNVFNFMX-QHCPKHFHSA-N 420.469 0.907 30 20 HCED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835231349 ZCCSCPILJYHLHX-RQGFIMDQSA-N 413.471 0.008 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837396624 HOOBALDFJFXLNQ-XMSQKQJNSA-N 417.506 0.654 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440700 UVLOWYZFHMHILR-WDFHVHJUSA-N 422.526 0.506 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)OC(C)C)CCO2)C1 1837599765 WSCQLNVMLNRJBB-FIKGOQFSSA-N 412.527 0.829 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnc5c4OCO5)CCO3)C2)C1 1838474596 JNFCEPPIAXREJJ-OAQYLSRUSA-N 415.446 0.847 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1838639474 GZMOIJSPJKFVII-JKSUJKDBSA-N 410.515 0.920 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1838744640 LQFJLXDSZRXCNU-UHFFFAOYSA-N 409.533 0.479 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)CC1 1838786069 LXNDBDAHPDKXIN-DJJJIMSYSA-N 416.540 0.919 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1839228103 SNJFZUVLRWZIIR-JXFKEZNVSA-N 421.498 0.449 30 20 HCED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839466266 NZZBXWTWDVIKQX-LJQANCHMSA-N 418.406 0.593 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774939 ZOOUXCPELZVBMH-FQEVSTJZSA-N 408.495 0.952 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1839811915 WLXVYZRIVXRWJZ-LJQANCHMSA-N 405.382 0.366 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1840169845 SLYOPXMOKYTJJD-OXJNMPFZSA-N 410.467 0.808 30 20 HCED C[C@H](NC=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169854 KRIWISRJNFITOR-NSHDSACASA-N 409.368 0.924 30 20 HCED Cn1c(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)cccc1=O 1844299660 JGQDSGWEWMWMMG-IUOVYFEOSA-N 402.451 0.731 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C1 1845146938 WCEOIBHXPZBMIH-AWEZNQCLSA-N 407.467 0.670 30 20 HCED CN(CC(=O)N1CCCC12CN(C(=O)CCCC#C[Si](C)(C)C)C2)C(=O)C(=O)O 1845809634 DJASANPUAORBKJ-UHFFFAOYSA-N 421.570 0.784 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847106572 CXBAOYDHMQUYKG-CYBMUJFWSA-N 409.487 0.328 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)c(Cl)c1 1848068891 ZVBGJNABGIKVES-GJZGRUSLSA-N 415.837 0.579 30 20 HCED N#Cc1ccnc(N2CCN(CC(=O)N(CCC(N)=O)Cc3ccccc3)CC2)c1 29447681 GELBCCUPHBUOOJ-UHFFFAOYSA-N 406.490 0.979 30 20 HCED CN(CC(=O)NCCNC(=O)c1ccc(O)cc1)S(=O)(=O)c1ccc(C#N)cc1 47545556 FEGQASQWTXEOQB-UHFFFAOYSA-N 416.459 0.431 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 60610340 YPCBRDVZWTXGDG-UHFFFAOYSA-N 420.539 0.989 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 409566199 VLDAISGGFFHRQY-UHFFFAOYSA-N 409.917 0.810 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 410107833 MMDVKZMKAFLWRP-UHFFFAOYSA-N 408.524 0.789 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CCO1 410135181 PWUSQKTZCMUKSC-HIFRSBDPSA-N 423.413 0.795 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)c3cccnc3C#N)no2)cn1 428375096 OTAYMLAMPTWAIP-CYBMUJFWSA-N 401.408 0.499 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 433884006 SGOSITCYUGPPLW-CQSZACIVSA-N 404.434 0.980 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 434841983 IHGMVLWEQMMXDJ-LPHOPBHVSA-N 402.495 0.931 30 20 HCED Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1C#N 443914308 RSFGEHZHEXNWJD-GOSISDBHSA-N 414.487 0.748 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 460608112 JWNFLYDOTYNDRN-MRXNPFEDSA-N 407.478 1.519 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccccc1-n1ncc(C#N)c1N 470653823 WAOZSGAPEDXYTQ-UHFFFAOYSA-N 412.497 0.349 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)NCc3ccc(F)cc3)CC2)c1C#N 471697308 KKYALQAMUWEOJV-UHFFFAOYSA-N 413.457 0.887 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 474210366 KGRKEEQAAMAZIU-UHFFFAOYSA-N 415.537 0.928 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482236388 GWAGVWFJSOHUHY-NOLJZWGESA-N 409.464 0.404 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 489179974 QLIGTYSHWMOGIA-QGZVFWFLSA-N 414.466 0.197 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(Cl)c1 490383915 ZEGUWTUKFTWKMV-UHFFFAOYSA-N 417.853 0.443 30 20 HCED Cc1nc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N 498187238 ITTACLURCHYSDC-KBPBESRZSA-N 407.496 0.374 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(nnn3CCOC)C2)c1 499047727 BKWFLSWZXMOHAO-UHFFFAOYSA-N 405.480 0.587 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 505276806 AGUXSPVXPWRUJO-AWEZNQCLSA-N 407.473 0.301 30 20 HCED C=CCn1c(-c2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 507551512 MJZFHRCADUGUHI-AWEZNQCLSA-N 419.507 0.806 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c2cccnc12 508334369 VFWYGRINGALURW-UHFFFAOYSA-N 423.389 0.005 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(CC(C)C)c1=O 512785820 PDUBITDNFZCHPE-UHFFFAOYSA-N 415.519 0.144 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Cl)ccc2F)c1=O 512790889 ULWULLWPXZALDD-UHFFFAOYSA-N 407.854 0.601 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)C1=O 516342639 RSZLCBHMGVZVAE-BBRMVZONSA-N 406.433 0.905 30 20 HCED Cc1cn2c(n1)[C@@H](CNC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)CCC2 516919782 RJQPQTPXRAKKQM-QGZVFWFLSA-N 407.478 0.801 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O 520348245 MMNKHEOCRONGEL-AWEZNQCLSA-N 418.837 0.881 30 20 HCED N#CCCN(C(=O)CCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)c1ccccc1 523529488 WECDYSKCEJFPGF-INIZCTEOSA-N 421.523 0.745 30 20 HCED CN(C)CCN(CCN(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 531122345 GBMQQEQCDRIJOS-GOSISDBHSA-N 414.510 0.715 30 20 HCED COC(=O)c1csc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 532884863 RPLUAWLIOIHHBD-LLVKDONJSA-N 414.447 0.872 30 20 HCED C=CCN(C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 534930021 HFDNPVDIWNZQMC-HNNXBMFYSA-N 409.464 0.796 30 20 HCED Cc1nc(C)n(C[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)n1 539250321 OWKXWXOLRNXVJS-MOPGFXCFSA-N 403.531 0.288 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCCS(=O)(=O)C3)n2)c(F)c1 542070559 WDFDNAFKTVFZLE-GFCCVEGCSA-N 405.411 0.515 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 546001760 IKLRMNJGBPNZJH-OAHLLOKOSA-N 400.435 0.603 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(CC(=O)N3CCCCC3)CC1)CC2 550197390 NXUXYTAOUQJVGY-UHFFFAOYSA-N 409.490 0.604 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCSC1 550838513 HFBMVBZHMONKFH-WIYYLYMNSA-N 415.563 0.776 30 20 HCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 551429852 KINNPOXJUVAECL-CQSZACIVSA-N 414.443 0.975 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCSC1 556204894 NLZAYOIGYWVVMP-FQEVSTJZSA-N 419.526 0.899 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)C1=O 557175753 BJXCXSCEATVXQO-WOJBJXKFSA-N 412.534 0.913 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1 557585877 SWVMMPIAFJEWCG-LLVKDONJSA-N 408.299 0.762 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3ccc4c(c3)OCO4)CC2)c1 559450666 JCMRVDXZWMILAT-UHFFFAOYSA-N 407.430 0.689 30 20 HCED CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCn1cnc(C#N)n1 560756588 QOVLBDMFBBPJBF-SNVBAGLBSA-N 407.412 0.319 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cn(CCCC)nc2C)CC1 564200799 XZKUCKVMZXTAIA-UHFFFAOYSA-N 404.515 0.054 30 20 HCED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)n1 570589685 SIMLEQCQCUDQEC-UHFFFAOYSA-N 424.433 0.645 30 20 HCED CN(CCN1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 572469948 GFKXQHJPZLLGBM-KRWDZBQOSA-N 417.485 0.573 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(F)cc1I 572551052 FBSILJLTNNJKFD-UHFFFAOYSA-N 423.157 0.926 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 575355377 YVYFHYWYBZCRBM-QZTJIDSGSA-N 409.494 0.816 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 579294691 ULFUXZRPIITDGF-CHWSQXEVSA-N 409.464 0.556 30 20 HCED C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CN(C)CCO1 589138419 GHUAWKIFBOQUKF-QFBILLFUSA-N 401.511 0.284 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 589441025 KNENZNFTKYBGFZ-HNNXBMFYSA-N 409.464 0.406 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(C(N)=O)cc1 608828546 ATAHHWPCCKFERE-UHFFFAOYSA-N 418.478 0.555 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)ccc21 609157898 FDHKHPLUISKBMP-UHFFFAOYSA-N 407.496 0.114 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCO[C@H](C#N)C1)n2C 609268616 HFUSPNJDESPVAU-CYBMUJFWSA-N 405.480 0.507 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 609357872 OIDHWFUMIUZMKF-UHFFFAOYSA-N 413.478 0.623 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnnn1-c1ccccc1 610804288 VCSBQDQJVCKSBQ-CYBMUJFWSA-N 411.447 0.517 30 20 HCED CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)no1 611091385 SZJHIRIBCFFKPW-KRWDZBQOSA-N 424.461 0.883 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 612235823 HPIXQUYRRDAZQB-ROUUACIJSA-N 403.435 0.928 30 20 HCED COc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1S(=O)(=O)N1CCCC1 618866117 QJZRWJFRSWJEPG-SFHVURJKSA-N 424.454 0.882 30 20 HCED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@@H]2CCOC2)c1 619858703 QQJRENZFRWYLDP-RDJZCZTQSA-N 421.461 0.000 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726670816 NCSAEQDHMPBLNG-YJYMSZOUSA-N 423.491 0.981 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 728533213 XZIIQHSTWUAOEG-FQEVSTJZSA-N 410.518 0.741 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1ccccc1)N1CCOCC1 732445575 NYOMHTKPUJBMQM-NHKNDPDJSA-N 413.478 0.886 30 20 HCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CC)c3)c2=O)cc1 732562912 ONMAJFYHTJNBBN-UHFFFAOYSA-N 423.498 0.763 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 734138975 OFEMYHUDAWKCCQ-CQSZACIVSA-N 423.491 0.686 30 20 HCED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)O[C@H](C)C(=O)N(C)CCC#N 745736526 PDNVOCHTTMFFAU-OAHLLOKOSA-N 404.467 0.907 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCOCC2)cc1 747006962 AHKMRXQDQWSXIM-CAPFRKAQSA-N 408.480 0.687 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 747854131 GAVYSZYZUQXTHI-UHFFFAOYSA-N 417.510 0.802 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 749665331 VIMLWDVYMQJNNO-CQSZACIVSA-N 416.453 0.588 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1 749665942 YFVRZFLCJPNIPB-HNNXBMFYSA-N 400.435 0.625 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1Cl 750396532 ZUIYZPLGLLMHMJ-LLVKDONJSA-N 404.814 0.989 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)F)C1=O 751925619 SGCCTSHNGHDHJW-QCHJOQBPSA-N 420.463 0.535 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)C1=O 753696922 MEAMZGQZJFDGTK-STQMWFEESA-N 407.448 0.376 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 754220617 SOEXPAGKDMVKTQ-UHFFFAOYSA-N 423.466 0.849 30 20 HCED COCCN(C(=O)CON=CC(=O)Nc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 754277356 YXGZIAZFQPUOGT-HNNXBMFYSA-N 415.443 0.429 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H](O)c1ccc(S(C)(=O)=O)cc1 756909012 JQWKTVSOCDTIHM-KDOFPFPSSA-N 401.492 0.996 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(C(C)C)s2)c1=O 758584098 JSPDASXSLFKNIY-UHFFFAOYSA-N 406.533 0.775 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCCCCn2nnc(-c3ccccc3)n2)CC1 761032214 GJLZAGXPYQKKGX-UHFFFAOYSA-N 417.539 0.596 30 20 HCED COc1ncc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1C(N)=O 762187076 IRPCHJQQOWAEOP-UHFFFAOYSA-N 403.420 0.256 30 20 HCED CC(C)N(CCCNC(=O)CON=C(N)c1ccc(N(C)C)cc1)S(C)(=O)=O 762709986 XWRPUPIQTPLOAE-UHFFFAOYSA-N 413.544 0.566 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)C2(C#N)CCOCC2)C1=O 767397701 DEUZDEGSIQLXRE-HXUWFJFHSA-N 414.418 0.738 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 770373849 VYVLQRQQSDOALL-UHFFFAOYSA-N 410.496 0.782 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C)c(OC)c2)c1=O 772280671 ZFTDTJDHRMOXQB-UHFFFAOYSA-N 415.515 0.901 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1Cc1ccon1 772311269 KXPXINZWGKWTPP-UHFFFAOYSA-N 408.443 0.048 30 20 HCED COC(=O)c1cn(CCOC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 774604033 LWLWRTYOZRXZRS-LLVKDONJSA-N 421.435 0.125 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 775795859 PWYBBDHWQKGQPQ-ZWKOTPCHSA-N 416.503 0.162 30 20 HCED CN1CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 779524960 YAULZPMIAHQAGY-HEHNFIMWSA-N 421.523 0.602 30 20 HCED C[C@@H]1CN(C)C(=O)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 782592702 MZWLBEMKGYDINE-CQSZACIVSA-N 412.450 0.617 30 20 HCED COC1(C)CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 784864599 VTDNWWBBQSDNOI-HMMYKYKNSA-N 408.480 0.685 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@]2(C)CO)c1 784930478 YXVDDXMKHANEDB-XSLGSPGOSA-N 422.507 0.811 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1cc[nH]n1 789991194 WGZDLDRPJRNERM-UHFFFAOYSA-N 401.379 0.687 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 790361173 SLPIFBLKWWMQPI-UHFFFAOYSA-N 407.389 0.900 30 20 HCED CCOC(=O)CON=C(C(=O)Oc1ccc2c(c1)n(C)c(=O)n2C)c1cc[nH]n1 794164435 LQYYCSWQACCHDZ-UHFFFAOYSA-N 401.379 0.490 30 20 HCED CC(=O)Nc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cnn3C)c2=O)c1 795197219 YBULEVYWJNSMBS-UHFFFAOYSA-N 404.455 0.926 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)n1 799263023 ISSZUYAEFQMIQK-UHFFFAOYSA-N 409.446 0.867 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c(F)c1 802552059 MHCIHLVIFUQSLT-UHFFFAOYSA-N 414.368 0.416 30 20 HCED N#Cc1ccncc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 805717961 DAQDOLTYWNBOTA-LSDHHAIUSA-N 407.448 0.305 30 20 HCED COc1cccc([C@@]2(C)NC(=O)N(NS(=O)(=O)c3ccc(C#N)nc3)C2=O)c1 808331148 UJKKHBWCEFCKOR-QGZVFWFLSA-N 401.404 0.622 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H](O)COc2cccc(F)c2)n1 810351973 CGLVMSVLKCFMOU-AWEZNQCLSA-N 424.392 0.773 30 20 HCED CCOC(=O)C1(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)CCOCC1 816126688 PFRPIJSZBBJUFR-UHFFFAOYSA-N 411.392 0.631 30 20 HCED Cn1cc([C@@H]2C[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cn1 816774129 QVVZOQUTACGTNW-HOCLYGCPSA-N 417.491 0.885 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C)c2)c1=O 839370757 QNTQOMFCKXPEJQ-UHFFFAOYSA-N 419.576 0.672 30 20 HCED C#CCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccc(C(N)=O)cc1 914867530 XIABDQNEXGIHIR-UHFFFAOYSA-N 407.430 0.397 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2CC(N)=O)CC1 1195235037 VLWJRAFLQBYUAG-ROUUACIJSA-N 403.458 0.111 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@@](C)=O)CC1 1288807402 SDYPCKIGHCIJGH-MZHQLVBMSA-N 414.557 0.539 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCC(O)CC2)cn1 1298819662 ZDGKSCOKFRABJP-QGZVFWFLSA-N 400.487 0.254 30 20 HCED CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1302338374 KUAKHPZVTBBVAP-HUUCEWRRSA-N 403.487 0.069 30 20 HCED N#C[C@H]1CN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CCO1 1303004245 OXOMVGGDYMUOPR-INIZCTEOSA-N 409.450 0.148 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)cn1 1303333796 ZLGNCWWYZWJPDJ-ZIAGYGMSSA-N 402.398 0.825 30 20 HCED CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1312486165 QIKNYMHLFOCUEO-GOSISDBHSA-N 414.510 0.715 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)CCO1 1316540704 YVTWKGQYNIZCOQ-PWSUYJOCSA-N 404.381 0.734 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1319284933 ZVVAGZJZERZUKO-DZGCQCFKSA-N 404.492 0.742 30 20 HCED C=CCC[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C(=O)O 1342964776 DGWOYBQMWVOJAO-INIZCTEOSA-N 424.523 0.841 30 20 HCED CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCNS(C)(=O)=O 1509593506 JPQPKPKSCBUVGU-UHFFFAOYSA-N 419.511 0.474 30 20 HCED COc1cc(OC)nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1588157907 KPWICEYQBLZYTF-UHFFFAOYSA-N 417.447 0.512 30 20 HCED C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1611287287 SKSNWZAWMNNYRM-CQSZACIVSA-N 409.516 0.288 30 20 HCED CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1616796929 QQJWWPUAYCXLNA-XJKSGUPXSA-N 400.480 0.538 30 20 HCED COc1ccc(C)cc1CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1624432246 PKUYORHJDUHICR-UHFFFAOYSA-N 411.462 0.872 30 20 HCED CCOC(=O)Cn1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1639419466 YZDNVJWZUVKNEI-GFCCVEGCSA-N 419.463 0.902 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Cc2nncn2C)CC1 1645033550 MEHADADYCJJRHV-AWEZNQCLSA-N 416.507 0.835 30 20 HCED CC[S@@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1710904334 AIIGFEVWLIQYOB-UOXLDJKESA-N 402.546 0.397 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1778874965 PKJUFPWLBJDAKM-MJXNMMHHSA-N 405.476 0.869 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779102475 YWABVOKRWXUSRL-XQOBYBSRSA-N 405.455 0.393 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1779103022 MBGUFCDIASCMMK-FAEOQQOKSA-N 408.411 0.353 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)C(=O)N(C)C)CCO3)C2)c1 1780168172 FIYFYSDRXRDGGZ-FQEVSTJZSA-N 400.435 0.099 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1Cl 1780192512 MKQLRKRTHIUWEA-XOBRGWDASA-N 416.865 0.791 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1781935665 VVCUJACHFQUCME-XOBRGWDASA-N 417.418 0.782 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3OCCC4)C2)C1 1782279383 HYHOEVWKTBNSDD-QRWLVFNGSA-N 419.482 0.910 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1782705210 SCSXEVCDBYFCGR-FOIQADDNSA-N 424.498 0.660 30 20 HCED COc1ccc([C@@H](C)C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783556541 RPIXUMZCJSVSHL-VFNWGFHPSA-N 400.431 0.717 30 20 HCED CCOc1ncc(Cl)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567282 SPDZWCNYIMOIEM-IBGZPJMESA-N 421.837 0.665 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)COC)CCO2)C1 1783766224 HLYDFKKBYKVZPH-FOIQADDNSA-N 411.499 0.932 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784111425 YBYSJWRRWWTETE-OAQYLSRUSA-N 403.479 0.734 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4CN(C)C4)C3)C2)c(O)n1 1784778339 ZVTOMKXNRSEMNS-QFIPXVFZSA-N 414.506 0.911 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785625755 FDWWIOGNWFOTJY-HPZZRFSDSA-N 409.508 0.633 30 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CC(C)N(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1840566516 AVHUUHHRORQBGL-QFIPXVFZSA-N 414.506 0.968 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646349 DNRYMHGTOJNZSY-HXUWFJFHSA-N 400.435 0.159 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)Cn1nnc3ccccc31)C2 1841054172 SYDDIYTVLKWLJF-HJWRWDBZSA-N 408.462 0.493 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](C)n2cnnn2)C3)c(O)n1 1842298159 DRKMQDKAZLFZSK-CQSZACIVSA-N 411.466 0.971 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1ON=C(c2ccccc2)O1 1847261663 AXALAPRQOAOHMR-QASSQJPKSA-N 424.457 0.781 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2cncn2)cc1 41415596 RWNOHKUUBJAJCG-UHFFFAOYSA-N 406.468 0.230 30 20 HCED CCN1CCN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 106172258 BURGLHYZIMLXCP-UHFFFAOYSA-N 407.540 0.323 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 107658567 AARKNPORIQLJEP-UHFFFAOYSA-N 421.504 0.784 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 409524964 FAJDZHZPTPIPPY-KRWDZBQOSA-N 415.560 0.112 30 20 HCED CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)n2)CC1 427146477 XBUKVFCRJUEXDW-UHFFFAOYSA-N 422.493 0.704 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)o1 431661410 PYKIVTOGVUYRIV-UHFFFAOYSA-N 401.404 0.880 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@]3(CO)CCOc4ccccc43)CC2)o1 440474536 BJQHZFNZZJPULA-NRFANRHFSA-N 411.462 0.763 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CC(N)=O)C1CCCCC1 442031838 VNTLOCFVOGBTOA-MRXNPFEDSA-N 423.477 1.326 30 20 HCED COC(=O)Cc1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446527980 SIKVVKKBTQHTRJ-UHFFFAOYSA-N 402.451 0.415 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)n2)c(Cl)c1 448390663 UTTLWTKZVAFIBF-ZFWWWQNUSA-N 403.826 0.992 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2cccc(-n3cncn3)c2)cn1 460605809 HZJUMYLUBOGYDJ-UHFFFAOYSA-N 413.401 0.975 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 462013787 LJXZVZGVKSRVCU-OAHLLOKOSA-N 405.422 1.108 30 20 HCED COC(=O)[C@@H](CC(F)(F)F)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 463120728 SILYWILLDOOWSB-BXKDBHETSA-N 407.370 0.835 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 469264076 SDBFAIAWMUQEFI-UHFFFAOYSA-N 404.430 1.526 30 20 HCED CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 473571820 SGJUKNRRBUODNF-IAGOWNOFSA-N 405.886 0.819 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cn3)c(=O)n2C2CC2)CC1 474348272 FWERTGYIZXZSMZ-UHFFFAOYSA-N 423.542 0.615 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 476553497 VLWPRYNZQYPHPK-SJORKVTESA-N 407.492 0.018 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 479820535 CECCFSVAQRUEMA-GFCCVEGCSA-N 422.488 0.189 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 480933293 VSCFHDRESJXBFF-UHFFFAOYSA-N 410.430 0.867 30 20 HCED CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 511103462 BNHOTCNHUJUYAM-UHFFFAOYSA-N 419.551 0.419 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 512623580 GCCZQIZEXCNCND-ZWKOTPCHSA-N 405.524 0.830 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 513391288 XPEBYNHKBDZAIB-CVEARBPZSA-N 406.508 0.942 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514024585 MOCWNFJDZPFURL-LIRRHRJNSA-N 419.507 0.713 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2c(F)cccc2OC)CC1 514209727 XJMUQEQGQPBHIW-CQSZACIVSA-N 406.458 0.458 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3OC[C@H]4COCC[C@H]43)CC2)cc1 515444507 JDGIXWRALWEQIC-KBAYOESNSA-N 405.476 0.443 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 517868347 MRYIGISKDJPDKC-CQSZACIVSA-N 404.489 0.659 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CCOCC1 518789988 QNTGQWZGOHITLZ-UHFFFAOYSA-N 421.504 0.845 30 20 HCED CN(Cc1nnnn1C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 519173123 KTSVSVFRAGBLPV-HNNXBMFYSA-N 409.454 0.925 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccn(CCC#N)n2)c1 522728000 DPIITFXQDSSHLO-UHFFFAOYSA-N 406.468 0.628 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(OCCCC#N)c3)C2=O)cn1 522763926 YRCGQIRYYXURCQ-QGZVFWFLSA-N 410.434 0.963 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1C#N 535505680 LSWKCOCRSZUJCV-UHFFFAOYSA-N 415.479 0.564 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(F)c1 537182367 JWVFZAMFSKBPHQ-NHYWBVRUSA-N 406.432 0.851 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CN(c2ccc(F)cc2)C1=O 543956633 KQRSIEJMALGEGG-SJKOYZFVSA-N 416.434 0.896 30 20 HCED CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4F)C3)C[C@@H]21 558044534 NSOQALLRDDJBPA-ZYSHUDEJSA-N 415.469 0.324 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nccn3CC(F)(F)F)CC2)c1 561240830 UFMJVSZOANCRQN-UHFFFAOYSA-N 421.383 0.677 30 20 HCED CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)CCOCc1ccc(C#N)cc1 574555791 NZUVOQCCUDKCSO-UHFFFAOYSA-N 410.478 0.844 30 20 HCED CCOC(=O)[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 581222462 AGPAXPVLVYELBQ-QGZVFWFLSA-N 409.464 0.311 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 603457275 BGSQBFNNOWKKGR-UHFFFAOYSA-N 419.507 0.852 30 20 HCED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCNS(C)(=O)=O)c1 726406139 UNWXIZFBOFJVJR-HNNXBMFYSA-N 422.532 0.675 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(CCc3ccccn3)c2=O)cn1 732562797 JXOSFPKVFXNXPZ-UHFFFAOYSA-N 408.487 0.013 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)cn1 732796453 FVHJDCLXLBRSNU-UHFFFAOYSA-N 404.455 0.802 30 20 HCED CC(=O)N[C@@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(C)cc1 732908387 JTNHYVRDAWKYRW-SJORKVTESA-N 405.476 0.528 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)n(C)c1=O 734081623 PHSQTUDDMLMUGJ-LBPRGKRZSA-N 421.442 0.829 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(NC(=O)NCC=C)cc2)CC1 737168974 UWJZRYQRLRJQBI-UHFFFAOYSA-N 411.462 0.921 30 20 HCED C#CCSCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 740071437 NCTSJEXNWLDQHR-INIZCTEOSA-N 404.540 0.948 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCOCC 743726657 SGRCADXECXSAMJ-UHFFFAOYSA-N 404.517 0.517 30 20 HCED COC(=O)CN(CC#N)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 746455647 WLEZHZOVRYLQRA-UHFFFAOYSA-N 418.475 0.923 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 756803282 YPLBDOJRIPCUPI-OCCSQVGLSA-N 405.459 0.852 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2cccc(OC)c2)sc(=Cc2cnn(C)c2)c1=O 758050489 SXIIELVRUKZIBV-UHFFFAOYSA-N 404.451 0.671 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 758646419 XPNCONOYJVEEPJ-WCQYABFASA-N 413.456 0.093 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(=O)N(C)C 763460391 GZLIBCNMXSNHIT-ZDUSSCGKSA-N 400.504 0.455 30 20 HCED C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C1CC1 763797033 WDNNGOJBCYQREG-UHFFFAOYSA-N 408.476 0.963 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCOC 765146692 ZZHXFHQRNSFCNA-UHFFFAOYSA-N 407.517 0.656 30 20 HCED NC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 768547660 PYBJHMSMKJVISV-QGZVFWFLSA-N 418.450 0.987 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(=O)O)C1 769521476 HBEGOBSUYHAOOZ-KBPBESRZSA-N 409.464 0.596 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 773490924 GHQKRMILUPYQJT-UHFFFAOYSA-N 411.418 0.879 30 20 HCED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCSC[C@@H]3C#N)n12 775571587 DXBMZPSQNWLSRA-JTQLQIEISA-N 407.529 0.364 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 783033958 RAHJRFGYVYJSGP-UHFFFAOYSA-N 417.509 0.430 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 783547277 WNIDMXFPEUEJFI-UHFFFAOYSA-N 420.484 0.177 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCCO1 786659481 ZVNIATKAHMHQOP-LSDHHAIUSA-N 404.467 0.044 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 786704749 QRXNDRUUNRPTDM-UHFFFAOYSA-N 419.457 0.987 30 20 HCED N#C[C@H](C(=O)CCn1cnccc1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 796763835 MXCQLVKBUNETEN-LLVKDONJSA-N 413.346 0.660 30 20 HCED C#CCOc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 804459000 LWVSRRQYULNLFF-WVSUBDOOSA-N 411.418 0.062 30 20 HCED C#CCN=c1nc(N(C)C[C@H]2CCCN(C)C2)[nH]c(N(C)C[C@@H]2CCCN(C)C2)n1 804461918 YDEWNCVAHXGVAR-KDURUIRLSA-N 414.602 0.895 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nc3ccc(C)cc3[nH]2)n1 806497031 UAOZKZDLISWSDK-UHFFFAOYSA-N 408.462 0.992 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 813634652 CGAOFFWPOSLDCL-QGZVFWFLSA-N 421.523 0.625 30 20 HCED CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c1 813983121 ISXSZDGMXNWBAD-UHFFFAOYSA-N 401.404 0.989 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 815860279 DUPCUZGBQIKCAM-UHFFFAOYSA-N 408.524 0.725 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(C)c2)c1=O 838178540 MBDKCSYSXVEOAV-OAHLLOKOSA-N 415.515 0.519 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](c3ccc(F)cc3)C2)c1=O 913061929 NXVSRVKNXKYIMG-KRWDZBQOSA-N 402.426 0.714 30 20 HCED Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)nc2n1 914684716 RXKMWURWHRTJHC-UHFFFAOYSA-N 424.421 0.415 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)Nc4ccccc43)nc2)CC1 916332905 IPORULCVYKVEDS-UHFFFAOYSA-N 400.464 0.786 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 918409269 ILTDYZUTRUBZEW-UHFFFAOYSA-N 412.471 0.603 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3CC#N)CC2)C[C@H](C)O1 1136206739 OMEWVMBAYKGKGT-HOTGVXAUSA-N 406.508 0.864 30 20 HCED CC(=O)N1CCN(Cc2ccccc2NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1138290107 SYTQIGKANXLNJG-UHFFFAOYSA-N 410.434 0.123 30 20 HCED CNC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1177654128 MOCQQWVOTQWOMC-CHWSQXEVSA-N 407.496 0.424 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)s1 1208392283 PKPGJTKRZZZLHD-UHFFFAOYSA-N 410.521 0.744 30 20 HCED CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1212365507 XOWRHTFKVGJSEI-NSHDSACASA-N 408.299 0.633 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CC(=O)N(C)C 1291195797 YIKSERJIKIJORW-CQSZACIVSA-N 409.498 0.696 30 20 HCED CNC(=O)COc1ccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)cc1OC 1318175471 JGYDPNDADIEQSM-UHFFFAOYSA-N 403.416 0.699 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 1319318830 SDZJNSBKEMYCAN-INIZCTEOSA-N 408.524 0.600 30 20 HCED N#Cc1cccc(-c2nnc(CN[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)o2)c1 1322862066 LPYVCZMZZLPZAZ-JKSUJKDBSA-N 403.464 0.196 30 20 HCED Cc1cc(NC(=O)CN2CCN([C@@H](C#N)C(C)C)CC2)n([C@@H]2CCS(=O)(=O)C2)n1 1341290154 KLOIBUNYJHVEQH-SJORKVTESA-N 422.555 0.655 30 20 HCED CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1467872526 JHLANUQVTHMXAB-HNNXBMFYSA-N 408.480 0.916 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](COC)OC 1513925974 ZBQLOLDIJJROBH-LSDHHAIUSA-N 400.487 0.879 30 20 HCED 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C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1840845122 IOCZCLYFJUAIBD-OAQYLSRUSA-N 423.510 0.771 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840855868 WKVQTNWXFTVVEN-CDXJDZJCSA-N 409.527 0.960 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)Cn2ccncc2=O)C3)c1 1844726953 RHFMSWUUAPHAKW-UHFFFAOYSA-N 407.430 0.641 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCC(=O)N1CCCC1 1847262700 ACKRCZJQDVXKKU-JEZUCGJFSA-N 402.495 0.449 30 20 HCED CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1)C(=O)C(=O)O 1847474788 MMWUKPGWOQYLQX-HOTGVXAUSA-N 417.849 0.436 30 20 HCED CN(CCCNC(=O)CN1CCN(c2cccc(F)c2C#N)CC1)S(C)(=O)=O 52640958 RWCLYSCGBIOUCY-UHFFFAOYSA-N 411.503 0.217 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 52938594 JFKIYICEGOLNJY-HNNXBMFYSA-N 418.523 0.938 30 20 HCED CCC(=O)N1CCC(=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 64306340 VETAYFFHNDEJII-UHFFFAOYSA-N 408.528 0.818 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 105265193 APXPMPYSVLQVQW-AWEZNQCLSA-N 403.439 0.160 30 20 HCED CN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 116759179 FSTNNOWZCOFDMG-UHFFFAOYSA-N 421.523 0.702 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 409517142 YVDKRMUYKJPGSV-UHFFFAOYSA-N 409.512 0.732 30 20 HCED C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C(=O)N1CCS(=O)(=O)CC1 432492785 ZRIGDHFIZFFPQE-AWEZNQCLSA-N 420.491 0.429 30 20 HCED C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 435201214 LRYWPIZLABAHKN-ZMZPIMSZSA-N 403.826 0.992 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)C1=O 440257288 QDZVTNNORHEYEI-QGZVFWFLSA-N 419.445 0.999 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1C#N 442418294 KSKKRIUOXWSUEO-UHFFFAOYSA-N 417.447 0.467 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@@H](CO)[C@@H]2CCCO2)CC1 447914349 OZGWZCBCLFVRDT-HOTGVXAUSA-N 415.450 0.584 30 20 HCED N#Cc1ccc(OC2CN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)C2)cc1 461939096 VSDCWCFYIGTYHH-UHFFFAOYSA-N 410.434 0.909 30 20 HCED CCC(CC)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 467286410 UYBQDKYETXFTQG-CHWSQXEVSA-N 412.458 0.226 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 472072728 JPHBAIIOKUWPCU-AWEZNQCLSA-N 413.486 0.185 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)s1 476999304 VPLDORHIQQBWPW-LLVKDONJSA-N 405.501 0.315 30 20 HCED C=CCN(CCOC)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 482396376 JEUPVFRYRFZXBR-UHFFFAOYSA-N 412.508 0.920 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 484620934 OVOCMAAXIWIQDG-UHFFFAOYSA-N 405.451 0.767 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 490268844 HPWVHUKKCSVGTB-UHFFFAOYSA-N 422.507 0.423 30 20 HCED CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccn1 491390258 SLVQATAMQYGFDH-CQSZACIVSA-N 409.402 0.923 30 20 HCED Cc1ccc(C(=O)N(C)CCN(C)C2CCN(C)CC2)cc1S(=O)(=O)NCC#N 498419937 FDHOUPPNSODRNO-UHFFFAOYSA-N 421.567 0.895 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)[C@H](C)O)CC1 498906135 UMFWWFHTKZLVHB-INIZCTEOSA-N 405.499 0.477 30 20 HCED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1=O 499537650 OPSSHXIWMBRMNZ-INIZCTEOSA-N 420.491 0.111 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@H](C)C(=O)NCC(F)(F)F 506926455 FFEZYHVQMRKLEB-SECBINFHSA-N 404.374 0.762 30 20 HCED CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509874687 UWASJSAITCFRRD-LSDHHAIUSA-N 421.523 0.877 30 20 HCED CCN(CC)C(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512399697 MBLMKXOAKCZTCN-IBGZPJMESA-N 406.575 0.165 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 517336854 YCWVKHKDTPSDOU-UHFFFAOYSA-N 413.459 0.644 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 533086017 VUQKLEGIKODFHB-LLVKDONJSA-N 408.299 0.633 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 537487652 KPJKQBRZKSRRJZ-QGZVFWFLSA-N 415.494 0.210 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC 540787655 JQHCGUHAXDMOLV-UHFFFAOYSA-N 403.483 0.194 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CCO1 543827941 WIZAEPBMRQEEJB-INIZCTEOSA-N 410.434 0.273 30 20 HCED C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCS1(=O)=O 551830648 AMSDLFVOLZELDQ-UFBFGSQYSA-N 400.254 0.951 30 20 HCED COc1cccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1OC 555955888 RQVIUBLJANZBEJ-UHFFFAOYSA-N 400.439 0.588 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 557731113 PCLICAMPIKUJNB-FQEVSTJZSA-N 400.523 0.636 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(CC(=O)OC)C2)c1 560645388 PBKMKFVLPHOEDI-OAHLLOKOSA-N 409.508 0.766 30 20 HCED Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 574428905 CVHXJYBYOUPPKT-FUHWJXTLSA-N 420.473 0.919 30 20 HCED Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 574428908 CVHXJYBYOUPPKT-WMZOPIPTSA-N 420.473 0.919 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@H]4CCOC4)C3)C2=O)cc1 575355167 QYDSBWAUHGKKOU-FHWLQOOXSA-N 410.474 0.660 30 20 HCED Cc1cccc(OC[C@@H](O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 576673318 MGRGTHHMXGKRTE-INIZCTEOSA-N 403.460 0.701 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CCC#N)c2)CC1 584066018 DXBPRSANSUMDGU-UHFFFAOYSA-N 407.496 0.323 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 609548126 MUARZATYMUPMLU-GOSISDBHSA-N 403.458 0.567 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 610291956 GDYFVGDKKKPADW-RGCFKVTRSA-N 409.446 0.201 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1 615253672 AKEPOOXLUNFVAY-UHFFFAOYSA-N 408.480 0.797 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCN(CC)S(C)(=O)=O)c1 617257897 JHPKDDCYBGDGII-UHFFFAOYSA-N 403.526 0.552 30 20 HCED Nc1nc(C2CC2)ncc1C(=O)NCC#CCNC(=O)c1cnc(C2CC2)nc1N 673064433 XQHBCYSHEKPHOA-UHFFFAOYSA-N 406.450 0.349 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)s1 675630978 VGEIEOSVFATAGN-UHFFFAOYSA-N 419.528 0.796 30 20 HCED O=C(CNC(=O)c1ccccc1)NCC#CCNC(=O)CNC(=O)c1ccccc1 680339810 OAKWSTNTGFNVJB-UHFFFAOYSA-N 406.442 0.082 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 728589954 OFUFFTZKGONIMP-UHFFFAOYSA-N 400.844 0.304 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 732439448 KWIREQAVLKKVGF-NHKNDPDJSA-N 413.478 0.713 30 20 HCED N#C[C@@H](C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)N1CCS(=O)(=O)CC1 732909885 HJAIBTQHMZYKIE-AWEZNQCLSA-N 417.403 0.360 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CSCC(=O)N(C)C2CCCCC2)CC1 733149910 XXCDCHOPGTYULC-UHFFFAOYSA-N 422.595 0.794 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 733884836 LFKBWGAOSMKNME-VHEBQXMUSA-N 418.475 0.436 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745587708 ZLPGOKNSQTVMEQ-KPZWWZAWSA-N 409.464 0.545 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 747741151 AFRZQDWKINFAFL-UHFFFAOYSA-N 413.446 0.621 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCSC)c2=O)cn1 751830447 FKRFSCYYUCFJRC-UHFFFAOYSA-N 417.560 0.615 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 756803275 YPLBDOJRIPCUPI-JSGCOSHPSA-N 405.459 0.852 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(OC)nc1 763460280 IIKPISJOGQUAFF-UHFFFAOYSA-N 423.498 0.670 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)c2ccc(C)cc2C1=O 766986656 VWSSPCQMJAOZAP-UHFFFAOYSA-N 413.411 0.976 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 769978218 BBGUZKAFKGTTHQ-CQSZACIVSA-N 423.495 0.917 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2ncon2)C1 771472756 GVVQOWQRDURYDS-CYBMUJFWSA-N 405.436 0.488 30 20 HCED C#CCN1CCC(C(=O)O[C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 772115436 HCUSMCNTTLQPSM-INIZCTEOSA-N 401.463 0.841 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)ccc1F 777019280 MEUPQIQAQFJZDY-CQSZACIVSA-N 414.455 0.942 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cn1 781661104 XIRHCJBLACZPRX-UHFFFAOYSA-N 413.503 0.435 30 20 HCED CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(N)=O 784759121 NTAHEKBLCPPDRA-YZLQOSHFSA-N 423.495 0.064 30 20 HCED C=C(C)Cn1c(SCC(=O)NC[C@H]2CC(C(N)=O)=NO2)nnc1-c1ccco1 793906722 OEOWOKIFFGRHBL-LLVKDONJSA-N 404.452 0.953 30 20 HCED C=CCN1CC[C@H](OC(=O)CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 798580234 MFTQWKFLQSICKH-ZDUSSCGKSA-N 417.827 0.857 30 20 HCED C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 802561244 UGETXBKOIWGEQH-AWEZNQCLSA-N 417.557 0.056 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803968887 QKILEILQADZODJ-ZDUSSCGKSA-N 416.496 0.482 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 806399564 SPJCSXHIPCYBCC-AWEZNQCLSA-N 410.316 0.733 30 20 HCED CC(C)[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 807452420 SYUDGNMCYGVNKX-AEWZPABSSA-N 424.523 0.819 30 20 HCED COc1ccc(OC)c([C@H](O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 810103134 UCOAFAVDGJWMEF-QGZVFWFLSA-N 419.459 0.704 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 814549901 HYIDQHNNUUFFJP-QGZVFWFLSA-N 408.476 0.840 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 845950899 GDMIAJZOULVAQB-LJQANCHMSA-N 421.475 0.909 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1324758725 AHCVATHLRKFALT-ZHALLVOQSA-N 401.463 0.784 30 20 HCED N#Cc1sccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1533797227 LFQOVMZPUNQMNX-UHFFFAOYSA-N 405.505 0.897 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1618605872 UKNZMWYCLKRVDW-AWEZNQCLSA-N 409.487 0.568 30 20 HCED CC[C@@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634188484 VVWRCLGOOURVIT-HOCLYGCPSA-N 407.496 0.681 30 20 HCED COC(=O)[C@H]1CC(F)(F)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1641474396 RPNJLFDRXPOOOW-LLVKDONJSA-N 401.391 0.524 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCOCC3)CC2)cn1C 1647904174 MLTBCOFSOCLWJH-UHFFFAOYSA-N 409.512 0.566 30 20 HCED Cc1cc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(C#N)cn1 1654921406 PLUHAQLNWZEVKX-UHFFFAOYSA-N 421.504 0.420 30 20 HCED CC(C)(CC#N)CS(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 1656486876 ZSQRIJSGYJHWMH-UHFFFAOYSA-N 400.526 0.726 30 20 HCED Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1711283246 KHDZVXHTVNWLTI-INIZCTEOSA-N 412.479 0.617 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1727653643 XSBMYLPGRCZNKH-OAHLLOKOSA-N 417.495 0.081 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1)C(F)(F)F 1778264591 ZJPDPFQJWLJZHE-QGZVFWFLSA-N 404.433 0.182 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1779013663 JLOHOAVVSRSNKK-ILBGQUFFSA-N 404.467 0.615 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1779104564 BKLXTGRPBBXJRU-RCTBGBINSA-N 420.470 0.027 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1779104888 HKZVLBUCOUKKAU-MDAVEZEFSA-N 418.450 0.760 30 20 HCED Cn1nncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359301 ZLEXKQHWPRKGSC-MBTGSGPOSA-N 417.514 0.414 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428501 MDXQXVZILLYPCB-DNLPARGRSA-N 421.450 0.117 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CSc4ncccn4)CCO3)C2)c1 1780333104 SRYLDBOPPIHNJK-IBGZPJMESA-N 412.475 0.912 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780361129 SFQMWTZBYKUHKB-BDJLRTHQSA-N 415.372 0.305 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccc(OC)c3OC)C2)C1 1780447657 LKKUOKJBJJYHLX-BTYIYWSLSA-N 417.462 0.581 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCC(=O)N4C)C3)C2)c1 1781372132 SOJVCSHMIMZRKQ-AVRDEDQJSA-N 410.474 0.931 30 20 HCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(=O)nc3sccn13)C2 1781695947 ZYDMQDSQBZDCIZ-AUUYWEPGSA-N 400.460 0.517 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3cncc13)C2 1782010698 WBTDNQGFJJDIDR-DYESRHJHSA-N 410.430 0.550 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782269363 HZQDFTSBDRFUCR-MPWIWIEXSA-N 421.538 0.600 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1 1782661996 KBGHWSOWCXLUDT-DYESRHJHSA-N 400.479 0.842 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)c1 1782969497 WDTVJHJKTHZIDH-AVBTWRTFSA-N 401.463 0.752 30 20 HCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)CCO2 1783907171 UNXNCOQPCBFYFN-MUKKUYKPSA-N 406.508 0.422 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1784200042 IGPJBKNKSIRVQS-UTKZUKDTSA-N 423.510 0.853 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784389076 GQUXZIVAOFHHLG-ACJLOTCBSA-N 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20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 460955897 ZCKKVMGRYHDHJU-LJQANCHMSA-N 403.487 0.807 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCOC[C@H]2C#N)CC1 461632378 PEEWIQYJRJUGBP-OAHLLOKOSA-N 421.475 0.625 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)c1 467038223 LPZKUDOIGULPRD-CQSZACIVSA-N 405.480 0.634 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)cc1 473194927 KODIOLPMOLPCSQ-OAHLLOKOSA-N 416.478 0.637 30 20 HCED COCCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 485577403 BJJAZUKVZLQMAU-IRXDYDNUSA-N 411.480 0.429 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(CS(N)(=O)=O)c3)C2=O)cc1 485994753 UGVYYDWQDNDEKH-GOSISDBHSA-N 412.471 0.878 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 497556087 HNSIUBYOZJLUEU-OAHLLOKOSA-N 408.842 0.530 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(CCOc3ccccc3C#N)CC2)C[C@H](C)O1 497609242 BNJMGCZMKLTNNU-IRXDYDNUSA-N 408.524 0.909 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)N(CCO)CCN3CCOCC3)C2=O)cc1 508671274 PNKWBCPJEIGPTC-LJQANCHMSA-N 415.494 0.390 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1nnnn1C 508912281 LGIRVHFSJJQNBY-UHFFFAOYSA-N 402.488 0.584 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 510849048 CKCJVZGSLGCRSE-HNNXBMFYSA-N 413.434 0.996 30 20 HCED CCNC(=O)C1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541146769 NXCXJKLJQMFEPH-UHFFFAOYSA-N 400.826 0.930 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)n1 550018836 KJIPLHBKLBFTGL-HXUWFJFHSA-N 418.501 0.993 30 20 HCED CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(Br)c1C#N 553451756 VRCRDPXQQMXGBM-UHFFFAOYSA-N 404.242 0.360 30 20 HCED CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 557425613 MWUCWEWXJQPMRB-FQEVSTJZSA-N 411.506 0.598 30 20 HCED Cc1c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 557475088 YDNFESMEICTTKE-CQSZACIVSA-N 420.429 0.501 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)N(C)Cc1nnc2n1CCC2 557838491 KOVHYDYUDQBZIH-INIZCTEOSA-N 406.468 0.650 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCn2cnc3ccccc32)CC1 565257078 DIPCQTJVKNGEMT-UHFFFAOYSA-N 403.446 0.768 30 20 HCED CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 565910410 SSPLXOKIURTYLM-OAHLLOKOSA-N 418.473 0.512 30 20 HCED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl 566381127 KSLWLMMJLZRGOE-UHFFFAOYSA-N 423.676 0.137 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@]4(CCSC4)C3)CC2)c1 572682065 URSNNKMRCFAHMG-OXJNMPFZSA-N 415.519 0.773 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)CCCS(=O)(=O)N(C)C 579896617 PUYFWHPQYFRTSQ-UHFFFAOYSA-N 412.497 0.471 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 581536503 XTGYUVMBVBCKQI-UHFFFAOYSA-N 420.491 0.922 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 589285533 XGCWAOKWNFSAGT-UHFFFAOYSA-N 413.459 0.216 30 20 HCED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589413152 FJEYAJJQVHWVLF-UHFFFAOYSA-N 424.465 0.730 30 20 HCED COC(=O)C[C@@H](NC(C)=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 590420203 KQSUDONUUBBBQH-QGZVFWFLSA-N 412.450 0.443 30 20 HCED COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615628666 CAUVLYKXRAFGAF-SFHVURJKSA-N 409.370 0.902 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 618880701 PWEILJXZCIGAIR-KRWDZBQOSA-N 405.414 0.516 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 682273346 RTVGMDSTRNXCPD-SFHVURJKSA-N 402.495 0.713 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCn2ncc(C#N)c2N)C1 729806523 IQNNKQNIGRVTCD-CYBMUJFWSA-N 422.467 0.586 30 20 HCED N#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 730504512 SKEVHVYTWMRVNN-ZXYDQQDNSA-N 409.490 0.894 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)COc1ccc(F)cc1 731455583 LABOFDZKWGEUAG-ZDUSSCGKSA-N 407.423 0.420 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739829953 MWFQDVVAECUQDV-UHFFFAOYSA-N 404.835 0.790 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742245185 FSFIZRWFKOCGOV-BRXAQIOASA-N 409.442 0.616 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 744027215 MHZQWDCOJWMCAO-INIZCTEOSA-N 415.427 0.915 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)cn1 746394628 HIBQGSIALXLWOU-UHFFFAOYSA-N 402.361 0.608 30 20 HCED N#Cc1cnn(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1N 746890487 KZMYJHKBJSTCCC-GFCCVEGCSA-N 401.404 0.349 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CC(OCC(=O)N(C)C)C3)ccc2c1=O 752739191 FYMLIVFOTHCSEO-UHFFFAOYSA-N 402.476 0.800 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 756230699 HVHJWCAOQWJILI-PYTWLRIVSA-N 408.414 0.451 30 20 HCED C#CCOCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 756313353 IYTUPSGMMLJSCL-UHFFFAOYSA-N 410.448 0.229 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1CC 758586254 QUJBLOVMTBFALD-UHFFFAOYSA-N 411.531 0.954 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1cnn(C)c1 762529877 UCQQPOSASKACGB-HOTGVXAUSA-N 419.507 0.723 30 20 HCED C#CCNC(=O)CN1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 763674335 KCAGXAMSLQNBCG-KRWDZBQOSA-N 419.323 0.921 30 20 HCED N#Cc1cccc(OCCCOC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 763918022 HIHIKZCTRMWFKF-HZPDHXFCSA-N 406.460 0.906 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 767968315 MSYZYMPHQWDOIM-UHFFFAOYSA-N 424.501 0.818 30 20 HCED CC(C)[C@@](C)(O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 770556665 NEZVHGWSHODNHA-LJQANCHMSA-N 423.491 0.341 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 773955386 RHLYFBTYQCPARJ-AWEZNQCLSA-N 416.482 0.952 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 780058155 DKZYPNQWMJACQX-AVKRCAIGSA-N 422.441 0.839 30 20 HCED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)NC2(C#N)CCC2)c1 784217309 KRJVGXGZFVVNGN-UHFFFAOYSA-N 408.436 0.736 30 20 HCED CC(C)CN1C[C@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCN2C1=O 787211862 STAVOGYWUCLZMZ-UPTRSRDDSA-N 404.471 0.300 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)C(=O)NC1(C#N)CCC1 787723334 SPUAERFATFLMES-SNVBAGLBSA-N 401.466 0.126 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 796577823 YWPIKMSXMOLKHE-GOSISDBHSA-N 419.323 0.699 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@]2(CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 800109200 KZOXOGVAOSDAMY-RHSMWYFYSA-N 400.501 0.788 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)CC1(C)OCCO1 807418430 VMBREFOMJSJNTO-OAHLLOKOSA-N 401.467 0.507 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1=O 807655616 FEIKPHARJIKQSB-QZTJIDSGSA-N 412.490 0.852 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1)[C@H]1CCCO1 809311176 UMIDRCXPKIGRCY-RTBURBONSA-N 418.538 0.219 30 20 HCED C=CCc1ccc(OCC(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)c1 813945512 KCGFAJXNHKBQQI-UHFFFAOYSA-N 411.480 0.328 30 20 HCED CC(C)OCCCn1c(NN=C2C(=O)NC(=O)NC2=O)nc2ccccc2c1=O 814216963 KRGFAAKJABBAFN-UHFFFAOYSA-N 400.395 0.346 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1 814550029 IWCICQLPGUDGBB-CYBMUJFWSA-N 408.455 0.697 30 20 HCED CS(=O)(=O)c1ccccc1CC(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816128856 ZHQJDGFBGBGZSL-UHFFFAOYSA-N 423.428 0.918 30 20 HCED CC[C@@](C)(CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 821572469 GBHGIMZVFAEUPR-CQHJRZBDSA-N 410.496 0.715 30 20 HCED Cn1cc(C=Nn2c(S)nnc2[C@H]2COc3ccccc3O2)c(=O)n(C)c1=O 839395048 AEJSXNAIEMBZKM-CYBMUJFWSA-N 400.420 0.359 30 20 HCED N#CCOc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 919841765 FOBMXQHWVQGXMT-UHFFFAOYSA-N 414.443 0.962 30 20 HCED C#CCN1CCC(C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCO2)CC1 944627658 GOSOAAXSRYTJQH-ROMHJBHXSA-N 401.507 0.099 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 1122624389 BCTIFVLKYLEZQJ-INIZCTEOSA-N 420.491 0.707 30 20 HCED COCCO[C@H]1C[C@H](CO)CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1256712644 QWMNIWWCXRXBQX-RDJZCZTQSA-N 406.483 0.944 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)CC1CCOCC1 1320875395 ATZLERXESHIYLK-HNNXBMFYSA-N 409.508 0.657 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1359855265 HVLHVVZSUBRJKQ-INIZCTEOSA-N 411.514 0.806 30 20 HCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O 1507785077 MTDQXEYWSUWAKR-GHMZBOCLSA-N 420.333 0.789 30 20 HCED CCN1CCN(C(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1611389474 ZLQNTNGBVXDJLA-OAHLLOKOSA-N 417.897 0.845 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@@H](C#N)C3)CC2)c1 1620566490 WVBKTEHUSIUAHC-KRWDZBQOSA-N 418.519 0.958 30 20 HCED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2=O)n1 1625437169 KAUMRRMYQBXTPD-UHFFFAOYSA-N 404.434 0.802 30 20 HCED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1637467508 SRCMOUDBILULBB-MLGOLLRUSA-N 405.480 0.425 30 20 HCED N#C[C@H]1CN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCN1C1CC1 1643615057 XICVUJABSQXVCO-BBRMVZONSA-N 403.870 0.513 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1664314654 NMSJCQZEJQVUNG-AWEZNQCLSA-N 406.505 0.319 30 20 HCED N#CC1(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCOCC1 1679106351 SOYLMIRRMLJZAG-UHFFFAOYSA-N 414.528 0.579 30 20 HCED Cc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)n[nH]1 1693367206 NFGSWFKAUOUAQN-KDOFPFPSSA-N 418.527 0.980 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1723780810 VIAITCDYNPSOPK-ZFWWWQNUSA-N 422.515 0.131 30 20 HCED Cc1noc(C)c1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1726423363 PXJDOTZZZRMWKU-JSGCOSHPSA-N 423.499 0.465 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1742654276 OYLOYRNNIKFSOX-YVEFUNNKSA-N 424.506 0.729 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nn(C)c4c3CCC4)CCO2)C1 1778971934 OMEUYLZPNHXTGQ-JTSKRJEESA-N 416.522 0.925 30 20 HCED 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0.914 30 20 HCED CCOC(=O)N1CCC(C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1785372838 QBBUYGQWHWFFBD-HXUWFJFHSA-N 406.483 0.989 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N(C)C)o3)[C@H]2C1 1785881584 DSYZNWMHIFKJCP-UGUYLWEFSA-N 406.483 0.925 30 20 HCED CC(C)(C)n1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C4(C#N)CC4)[C@H]3C2)nn1 1786697088 RIDQFGPVSCDSDX-DZKIICNBSA-N 400.483 0.930 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1787520362 LZAYDLUCUHYAMX-QSLGRCDPSA-N 418.494 0.545 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1788631266 HDTZVPBRZPWJCG-WDSOQIARSA-N 414.506 0.631 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NC(=O)CCC)[C@H]2C1 1788743408 ULWAJDLBHWNWRR-RSJGLCBASA-N 423.554 0.844 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3C(=O)OC(C)(C)C)C[C@@H]21 1790794666 CMJQFSVQZZFQGT-VGWMRTNUSA-N 419.478 0.525 30 20 HCED 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839228753 NWXVPECNTIDIMI-UZLBHIALSA-N 411.499 0.549 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)cc1 1839362218 FCGFORLQCIQPTJ-JOCHJYFZSA-N 421.457 0.926 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840162508 YXXSPQUNCNWNJA-XPTSAGLGSA-N 423.417 0.212 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840173867 VNDLVUOKPWGCAM-RTWAWAEBSA-N 415.446 0.754 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193963 RBMZFMXQEUSWAW-INIZCTEOSA-N 422.450 0.472 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269223 UXFMTPOEEPDJNZ-OGNFBWPZSA-N 414.568 0.948 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840292669 DOXBSEJWWSTALU-OAQYLSRUSA-N 416.478 0.749 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1840294163 RFSIKLZLEMCYHT-HXUWFJFHSA-N 405.451 0.431 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1840564548 CSLWKBLFHQXCDP-QHCPKHFHSA-N 413.518 0.835 30 20 HCED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)CC1 1842828228 ZNVXSNQBXQGDSA-CJLVFECKSA-N 404.559 0.299 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845755457 FLXMRUNILWMYKT-UHFFFAOYSA-N 402.451 0.828 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc3n(n2)CCNC3=O)cc1 1847307969 PALIZCCAUXEECH-ROUUACIJSA-N 418.457 0.556 30 20 HCED N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c1 32704832 PZPDBORYIOXIHA-UHFFFAOYSA-N 411.443 0.875 30 20 HCED CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409493405 JHSUVFJLMUCNGK-GUDVDZBRSA-N 413.588 0.725 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)Nc1cccc(N2CCCC2)c1 409563280 WFTXMFVFXXUEPU-PBHICJAKSA-N 407.496 0.673 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 410130280 KIHSZOXLSKODLH-KRWDZBQOSA-N 410.544 0.289 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 428878071 BFXUQGYFLUSYDB-QGZVFWFLSA-N 413.478 0.972 30 20 HCED COC(=O)[C@@H](NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(C#N)c1 434878796 GBFPKSUJFIHHOH-SFHVURJKSA-N 422.507 0.403 30 20 HCED N#CCCn1cc(CN2CCN(C(=O)CN3CCOCC3)CC2)c(-c2ccncc2)n1 435139520 XAQAWBYNWMWAAU-UHFFFAOYSA-N 423.521 0.835 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C1=O 440277472 PLRZTIHKKCNESN-KRWDZBQOSA-N 414.462 0.343 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C#N)o2)c1=O 440381019 LATKXLOTDUESSK-UHFFFAOYSA-N 400.460 0.440 30 20 HCED COCCn1c(N)c(C(=O)CN2CCC[C@]3(CCCCO3)[C@H]2C#N)c(O)nc1=O 447908534 BRROBVOQOZNXDP-AUUYWEPGSA-N 405.455 0.287 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 462442589 BBGUAPFMBLXYTC-UHFFFAOYSA-N 412.899 0.377 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 465417032 MFEQSWJVQSEFQB-UHFFFAOYSA-N 408.480 0.968 30 20 HCED CN(C)CCCN(CCC#N)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 469066978 SFSGYHSWFFHXOS-OAHLLOKOSA-N 421.523 0.381 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(C)c4c(O)nc(O)nc4n3)CC2)c1C#N 472674256 OXYMPKVVLGMFDR-UHFFFAOYSA-N 408.422 0.620 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)cc1 485127256 KJGCRDOZARKKKU-SFHVURJKSA-N 408.480 0.156 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(C(N)=O)cc3F)C2=O)cc1 488633424 ZRQKYOZCNKUNNQ-KRWDZBQOSA-N 423.404 0.652 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c2=O)cc1 488980848 LUDNHCMOKDLIKM-OAHLLOKOSA-N 414.483 0.581 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 500375561 FOMKGKZDMSPFDO-ZDUSSCGKSA-N 402.407 0.176 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1=O 502909574 HCJHJJINXCDRBQ-HNNXBMFYSA-N 412.475 0.372 30 20 HCED CC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 504442203 LBVJXSMLDFXVKA-QZTJIDSGSA-N 413.478 0.990 30 20 HCED CN(CCOCCO)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 506692383 WNWWIAIMFPTJND-UHFFFAOYSA-N 402.451 0.675 30 20 HCED CC(C)(C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1cc(F)cc(C#N)c1 507152400 SWEORKKYBPPQKJ-UHFFFAOYSA-N 414.437 0.795 30 20 HCED Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508169924 XIVAGCTUCPVWPP-HNNXBMFYSA-N 402.480 0.702 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 511455663 SXTRISOHHLDUQB-QWHCGFSZSA-N 411.505 0.949 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1=O 512536075 NXHWGYHITVLWOQ-UHFFFAOYSA-N 423.429 0.429 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCOC2)c1=O 512725190 KWNZGGBQYARIMW-CQSZACIVSA-N 415.519 0.190 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1=O 515247822 JQEGIBRUBKWSPK-KRWDZBQOSA-N 414.510 0.424 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 516372633 NREGODJDDPFCQB-UHFFFAOYSA-N 408.527 0.982 30 20 HCED CNCCCc1[nH]nc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1C#N 534056922 NRZXBVZMOVUNDR-UHFFFAOYSA-N 408.459 0.880 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1 538103292 VILSYBGKKKPFGK-OAHLLOKOSA-N 415.498 0.429 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 538147601 IAYAESSUCLFAFA-MJGOQNOKSA-N 410.526 0.551 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 539024578 BLFDJWCROOWPHM-GFCCVEGCSA-N 405.480 0.846 30 20 HCED CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2=O 540456366 RLFKDHDXPPCDIL-UHFFFAOYSA-N 401.471 0.755 30 20 HCED C=CCN(C(=O)CNC(=O)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 545309767 FDEOVMSAXZVTOO-JTQLQIEISA-N 405.270 0.974 30 20 HCED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 546002833 QVFLPVXZXQXFOZ-UHFFFAOYSA-N 408.480 0.778 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c(C)c1 548290046 JLPKFSAHENAIFH-HNNXBMFYSA-N 411.483 0.121 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccc1F 554385897 IKHIPNGZIBOKMT-UHFFFAOYSA-N 409.447 1.007 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](c3ccco3)N(C)C)CC2)c1C#N 555656152 RFXJPQIJJXFODI-INIZCTEOSA-N 413.482 0.261 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cc1 564065776 CLURHJRZVGEJRM-RTBURBONSA-N 409.490 0.867 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1(N2CCOCC2)CC1 568566428 DTSKQVMFRJDXGX-UHFFFAOYSA-N 413.522 0.429 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 569021140 WIIPQGLEGCTLOZ-MRXNPFEDSA-N 402.480 0.696 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCS(=O)(=O)c2ccc(C#N)cn2)C1 573720498 OTIBVJXNUFIAGK-INIZCTEOSA-N 422.507 0.460 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 576311484 MEJUDBHIDVLWRI-KSSFIOAISA-N 416.478 0.661 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)NC)c2Br)C1=O 584554020 PNDOMJSBLQMCNK-UHFFFAOYSA-N 423.223 0.724 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)cc1 585694907 BTTCUOXHSZECSU-UHFFFAOYSA-N 400.460 0.540 30 20 HCED COC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)sc2c1CCCC2 603504387 LQEUYWONKFGEIU-UHFFFAOYSA-N 402.432 0.784 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 603553006 WGXDFRLIWUXEHR-UHFFFAOYSA-N 421.526 0.967 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2OC)N(C)C)CC1 604160250 AELURIRIXNSPHK-GOSISDBHSA-N 403.527 0.927 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1 606133529 POANGNNTLUUKSM-UHFFFAOYSA-N 412.446 0.705 30 20 HCED N#CCCCCS(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 609464788 JUZDGQJFRANUCS-UHFFFAOYSA-N 415.537 0.962 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 609880919 NBQRWHDBUDTNPX-AZUAARDMSA-N 411.506 0.576 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 610260679 FQOWBGOIRMWMHH-UHFFFAOYSA-N 420.451 0.304 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)nc1 727343098 YHEOFMMUAOBLST-UHFFFAOYSA-N 412.475 0.536 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)CC1 728536232 OWMINYPQQJMXGF-UHFFFAOYSA-N 409.490 0.560 30 20 HCED COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 730071859 BHHVJBJHKWTKGU-VIFPVBQESA-N 421.353 0.678 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCCCN2CCC(C(N)=O)CC2)c1 731125056 WNWLZFWVRKEMAF-UHFFFAOYSA-N 400.479 0.731 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731861693 KHYHKPKDZTXXBU-HTXNQAPBSA-N 420.491 0.973 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNCCS(C)(=O)=O)CC2)cc1 733205911 RHLNRLKQRQQBRH-UHFFFAOYSA-N 416.525 0.420 30 20 HCED COC(=O)CCCc1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 733394389 LPZNEHDAIUPADN-UHFFFAOYSA-N 422.419 0.347 30 20 HCED C[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742582945 FMLIOBIPPDCAIY-CJNGLKHVSA-N 414.487 0.717 30 20 HCED Cn1cc(N2CCC[C@H](OC(=O)CNS(=O)(=O)c3ccccc3C#N)C2=O)cn1 744616976 ITTHURRMEXGCJL-HNNXBMFYSA-N 417.447 0.309 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H]3CCS(=O)(=O)C3)CC2)cc1 747345557 HESFNXYUDSIRNM-OAHLLOKOSA-N 412.489 0.689 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CS(=O)(=O)CC(C)C)c1 749504120 AGBHFJPUVANDLP-UHFFFAOYSA-N 406.504 0.931 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)cc1 753712383 YGXPZKBXOVGQLM-UHFFFAOYSA-N 422.484 0.616 30 20 HCED CNC(=O)CNC(=S)NN=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)O 755722539 QLKFQWVOWDEEOT-UHFFFAOYSA-N 405.402 0.770 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 757152261 VJCZHOYBZHPSIN-SJKOYZFVSA-N 423.399 0.959 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c1 757950979 CUDPLYPKRCEQKQ-IEBWSBKVSA-N 402.472 0.813 30 20 HCED C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 759173404 KHIRDZFJDUHURY-UHFFFAOYSA-N 408.476 0.875 30 20 HCED COC(=O)[C@H](CC(F)F)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 762350633 PSEGSNIXNIFYDQ-ONGXEEELSA-N 403.407 0.817 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC1CCCCC1 769199017 KXLIKEXDWGZEFA-UHFFFAOYSA-N 422.463 0.538 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 770097856 DCFIXDPXNBOVIO-HNNXBMFYSA-N 417.422 0.348 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc[nH]n1 772300953 TXXKZXFGCQLKSQ-RYUDHWBXSA-N 400.457 0.166 30 20 HCED CN(CC(=O)NS(=O)(=O)CC(C)(C)C#N)S(=O)(=O)c1ccc(Cl)cc1 776139780 VIOAZYYOTVWXFY-UHFFFAOYSA-N 407.901 0.956 30 20 HCED COc1ccc([C@@H](CO)N(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 777830240 WFYPJNYUOQQTER-MRXNPFEDSA-N 403.460 0.926 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 783244638 NUPJENSJLOEIHJ-CQSZACIVSA-N 422.445 0.759 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OCCC)cc1)[C@H]1CCS(=O)(=O)C1 783481207 OUYXSIPNHNSYKU-INIZCTEOSA-N 406.460 0.841 30 20 HCED C#CCN1CCN(C(=O)Cn2cc(F)cc(I)c2=O)CC1 783915511 KRVDZAZFLNDHNP-UHFFFAOYSA-N 403.195 0.369 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 784502137 VYUFCNDKFZJVHI-MSOLQXFVSA-N 417.487 0.945 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCOC[C@@H]1c1noc(COC)n1 785335845 XVQKSDNJSCCHFZ-CQSZACIVSA-N 400.391 0.767 30 20 HCED N#C[C@@H](C(=O)NCc1ccc(F)c(F)c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 786571036 NKVVYRVOPORYCG-CYBMUJFWSA-N 420.397 0.787 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCC1CCN(CC(F)(F)F)CC1 787780010 VRFYVGIDZPMKIG-UHFFFAOYSA-N 412.416 0.872 30 20 HCED C#C[C@H](NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@@H]1CCCO1 793933989 GQLBMCMBBNZKNP-IRXDYDNUSA-N 414.458 0.877 30 20 HCED C#CCC[C@@H](O)CNC(=O)CNC(=O)c1ccccc1I 799081144 HFBFGANFLLWCBW-LLVKDONJSA-N 400.216 0.912 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(NC(=O)C(N)=O)c2)ccc1F 801511338 AKPRFECLYLUCTM-UHFFFAOYSA-N 420.422 0.966 30 20 HCED C=CCOC[C@@H]1NC(=O)N(c2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1=O 804205856 VXFLRXHEXWURSJ-KRWDZBQOSA-N 402.451 0.609 30 20 HCED C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 805062828 RFWURQLJVXJHRZ-GOEBONIOSA-N 407.515 0.995 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC)c1ccncc1 805811858 VNZRSPYNQIEUQJ-SMLCLMEVSA-N 415.446 0.767 30 20 HCED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 806238217 AINYVYMHAQZJGC-SFHVURJKSA-N 405.462 0.894 30 20 HCED Cc1nn(C)c(N2CCN(CCS(=O)(=O)CC(=O)OC(C)(C)C)CC2)c1C#N 808749561 AOMZJZJDUGNUPL-UHFFFAOYSA-N 411.528 0.479 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)[C@@H]1CCCO1 809149490 OKHPIZYWUCAEOL-IHRRRGAJSA-N 419.459 0.053 30 20 HCED CNC(=O)OC[C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 813726762 GMDUHKRHYZKCLT-CYBMUJFWSA-N 408.480 0.852 30 20 HCED C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813982454 JVDNWTRMBOPAFY-GTNSWQLSSA-N 405.436 0.259 30 20 HCED CCNc1nc(NCC)nc(NN=C(C)c2ccc(S(=O)(=O)CC(N)=O)cc2)n1 814725539 IICOPZRYPNTOSP-UHFFFAOYSA-N 420.499 0.830 30 20 HCED COCCCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 918472150 PERNFFSEWFBFJJ-UHFFFAOYSA-N 402.451 0.919 30 20 HCED 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Cc1ncc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)[nH]1 1835096274 YUTBKSGHRMGSHP-JOCHJYFZSA-N 408.458 0.840 30 20 HCED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835232489 QHHLQMLACKPOEI-DPZZJQGRSA-N 422.503 0.980 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCSC(=N)N)CCO3)C2)CCC1 1835657268 KCBCYKUGEPEVMA-GOSISDBHSA-N 409.512 0.153 30 20 HCED COc1ccnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1835924109 OGBUFWJYHWZTEG-UHFFFAOYSA-N 414.462 0.363 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)O1 1836607636 KSEYBWMARIOBFN-WIBUTAKZSA-N 402.451 0.524 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1837300226 CSENDDNVBOVPRW-UZLBHIALSA-N 403.483 0.654 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1837311894 OWDTWPSRUDKLAJ-HGHGUNKESA-N 407.511 0.736 30 20 HCED CC(=O)c1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n[nH]1 1837367637 RQDIILBJOVRUKF-UHFFFAOYSA-N 416.434 0.313 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1837392315 CRFPJCVICMYVOQ-FVJLSDCUSA-N 409.527 0.110 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oc(C)nc3C)C2)C1 1837398550 DGDIDLFHJQLTRQ-HRAATJIYSA-N 421.494 0.935 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837496158 FUSUYEPPIDZVKC-JOCHJYFZSA-N 402.491 0.555 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837832678 FARWGBDCNJVIQV-KUHUBIRLSA-N 424.885 0.791 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4c[nH]c5nccc-5c4n3C)C2)C1 1839808920 KXAGCFHJMLQIAE-QFIPXVFZSA-N 421.457 0.709 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C(=O)OC)cc3)C2)C1 1839811407 SDIJZLTVSGOWDW-OAQYLSRUSA-N 400.431 0.105 30 20 HCED COc1cccnc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840158817 RDTHDAIQCMLNCT-YWZLYKJASA-N 423.535 0.798 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814589 SRSREEUBNXUHLO-HRAATJIYSA-N 420.510 0.441 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840840658 ZPHRRSWCTLVREF-HXUWFJFHSA-N 404.467 0.605 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C1 1841232147 YGVRPZQKBCEAEQ-HJFSHJIFSA-N 411.524 0.485 30 20 HCED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCN3C(=O)C=CC3=O)C2)cc1 1841755330 BVEHKNYSFURYDH-UHFFFAOYSA-N 406.442 0.619 30 20 HCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194682 DWNGFNMJZAUJRD-UHFFFAOYSA-N 403.435 0.455 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2 1847083723 HJAILAAENLXDKP-ZUOKHONESA-N 421.498 0.328 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc2ccccc2n(C)c1=O 1847802117 LLPFQEOWKJPMMC-JLSDUUJJSA-N 408.458 0.787 30 20 HCED Cn1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)cn1 12851641 MLQKSJRBIPUPTN-UHFFFAOYSA-N 405.436 0.686 30 20 HCED CCOC(=O)N1CCN(C(=O)COC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)CC1 17223013 RNGRNMATQJDFQF-UHFFFAOYSA-N 418.450 0.640 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 409548920 LTPKJLXCERELLK-ZDUSSCGKSA-N 420.944 0.983 30 20 HCED N#Cc1c(CCCNC(=O)N2CCS(=O)(=O)CC2)nn(-c2ccccc2)c1N 432865440 IKPWWLSTXJICRJ-UHFFFAOYSA-N 402.480 0.699 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)CC1 435628974 SBHHBYVQBMEQFB-UHFFFAOYSA-N 415.494 0.082 30 20 HCED C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)OC 435941873 LMFQDUOAEWEWTO-CABCVRRESA-N 404.419 0.880 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 443764646 OABMPZNFBBHWPT-UHFFFAOYSA-N 416.459 0.741 30 20 HCED C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 444382441 FYLDETUPEKPJCC-OAHLLOKOSA-N 408.524 0.796 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O 445101843 CHXOZQQRYOMXPP-GJZGRUSLSA-N 417.495 1.429 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1 448478525 NORNGZYKGLBGLN-UHFFFAOYSA-N 416.445 0.880 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CCC#N)CC2CC2)CC1 471213638 VHPQABFBNCSKNE-UHFFFAOYSA-N 409.512 0.750 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 471763987 ZWXLOYHXYWYRTN-OAHLLOKOSA-N 422.507 0.506 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)cc1Br 479348748 USWXHETYCZWSAE-UHFFFAOYSA-N 403.258 0.444 30 20 HCED CN(CC(=O)N1CCO[C@@H](COCC2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 485571034 RCFWJLORKTWKNL-QGZVFWFLSA-N 407.492 0.833 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 493911850 SXAKMGNSOMDJPB-UHFFFAOYSA-N 405.480 0.909 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)n2)cc1 494050380 QJCQMALVFPJDNG-GOSISDBHSA-N 423.477 0.317 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1Br 498591325 KMVBDLOKDSTTNO-CQSZACIVSA-N 422.283 0.715 30 20 HCED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc(F)cc2)nn1CCC#N 505004635 DNBZVEAATPWWIA-UHFFFAOYSA-N 407.427 0.773 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)nn1CCC#N 507643709 XZFYMHDPEXBUBY-ZIAGYGMSSA-N 410.500 0.268 30 20 HCED N#Cc1c(CCCNC(=O)NCCNC(=O)c2cc[nH]n2)nn(-c2ccccc2)c1N 508714038 AVWLDYYIYBVEOQ-UHFFFAOYSA-N 421.465 0.711 30 20 HCED C=CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508812836 XQDSPZRXDRHVSL-UHFFFAOYSA-N 404.515 0.560 30 20 HCED CN(CC(=O)N1CCCC[C@H]1c1nc(O)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1 513490928 PZKWTSMNWRUEPP-AWEZNQCLSA-N 404.452 0.756 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)ccc3F)c(=O)n2C)CC1 523971650 QDQONVGXNCTWJS-UHFFFAOYSA-N 414.506 0.562 30 20 HCED COc1cc(C#N)ccc1OCCN1CCN([C@H](C)C(=O)N2CCOCC2)CC1 524907410 DAQLVWYEVSXTFV-QGZVFWFLSA-N 402.495 0.811 30 20 HCED N#Cc1c(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cn2ccccc12 532705244 FNESRZOANGZSIH-KRWDZBQOSA-N 415.519 0.232 30 20 HCED COCC(=O)N(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 533911820 IPXHJKYGCAGKKC-UHFFFAOYSA-N 402.430 0.619 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 539648696 XTOHUTGDRPMVRX-UHFFFAOYSA-N 408.480 0.101 30 20 HCED CCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 540307286 PICXLVZHLPHQBI-UHFFFAOYSA-N 418.479 0.889 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)nn1 545172701 PLPNWOIBQQIJDU-CYBMUJFWSA-N 400.370 0.878 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 546712087 VGLPNRIOXLQLNW-UHFFFAOYSA-N 408.462 0.969 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C#N)cc1 550971600 JJQJVRNUIPOPBR-PBHICJAKSA-N 408.462 0.776 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 556269808 QOVYGAXQTARDSC-SFHVURJKSA-N 415.494 0.254 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C(=O)NCC(N)=O)cc3)CC2)o1 558959988 PGBBXGJHVFHYCF-UHFFFAOYSA-N 410.434 0.925 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOCC)CC1 558990280 QRUVSRPBNMDSTK-OAHLLOKOSA-N 400.549 0.623 30 20 HCED Cc1nc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1C 559596695 AWTZLCXTZJSQGE-UHFFFAOYSA-N 404.434 0.831 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1 565924613 XYDSRIMUJUSQHY-CYBMUJFWSA-N 404.414 0.837 30 20 HCED CC(C)n1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 573470444 RWUHAJXYKOXZFJ-GOSISDBHSA-N 408.462 0.869 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 580461104 BAJKOCXQWNVNEH-CQSZACIVSA-N 410.400 0.355 30 20 HCED COC[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 582149449 MABGDGYWXMPOAW-CQSZACIVSA-N 401.510 0.477 30 20 HCED COCCN(C)CCCC1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588124694 GVKPPRUECDACOP-UHFFFAOYSA-N 407.559 0.688 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1Oc1ccccc1 588127307 BTUXXTVPTMAGDN-OTWHNJEPSA-N 400.479 0.832 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1 591719061 ARKBABYCPSPXSY-UHFFFAOYSA-N 419.507 0.587 30 20 HCED COc1cc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)ccc1S(=O)(=O)N1CCCC1 615632290 KHVHTIYNNPLWTP-SFHVURJKSA-N 424.454 0.882 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)C1 615635139 QRIYTGZAYBYFLK-IBGZPJMESA-N 403.414 0.360 30 20 HCED CC[C@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 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409.449 0.815 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(OC(=O)N(C)C)CC3)CC2)o1 815189537 OWEQVSZJYPJMQH-UHFFFAOYSA-N 404.471 0.666 30 20 HCED CON=Cc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 874464963 AMDPABGSEFFVRP-QGZVFWFLSA-N 423.491 0.155 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 912615228 WLDXOVNXHTXDMC-NRFANRHFSA-N 421.461 0.648 30 20 HCED COCCCNC(=S)NN=C(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916279509 AIAYSHUUWXDPSJ-UHFFFAOYSA-N 413.569 0.505 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cc2)c1=O 918729546 FLHNWRHARWOCLL-UHFFFAOYSA-N 417.288 0.787 30 20 HCED C=CCn1cc(C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCCO2)nn1 1019590626 QJCJEXJGKBNURB-GZHKEPGYSA-N 401.467 0.235 30 20 HCED CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1109416571 LZHWNLHJOSUXEY-MZZPOWALSA-N 400.483 0.342 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 1116093085 XUUALDKWKLURAC-AWEZNQCLSA-N 416.507 0.634 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCS(=O)(=O)CC3CC3)C2=O)cc1 1253115526 FBAVUSSULLGNNU-MRXNPFEDSA-N 418.475 0.704 30 20 HCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)c1ccccc1 1301004085 SJHIRGNHVMDKAB-HNNXBMFYSA-N 418.523 0.928 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2=O)cc1 1318069101 NFEWCFQOGMAABG-INIZCTEOSA-N 408.462 0.812 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)C2=O)cc1 1323326499 GMEMABHOGFTCRZ-DLBZAZTESA-N 401.488 0.990 30 20 HCED C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1466064469 MQFMOEJNCCUBDR-NFAWXSAZSA-N 404.471 0.659 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1469405986 PPHYQCLTQQAGSF-SFHVURJKSA-N 409.464 0.207 30 20 HCED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(=O)(=O)CC 1513914479 LHASPWPSKIIJLF-UHFFFAOYSA-N 403.512 0.868 30 20 HCED CCN(CCCn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1547575784 VCIPFFASDSHLGC-YOEHRIQHSA-N 414.507 0.896 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2n[nH]c(C)n2)CCOC1 1547920297 VBHNVLMQXUNQCJ-KSSFIOAISA-N 402.459 0.328 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 1611768052 YSXAEEPHBDDDNK-CRAIPNDOSA-N 408.528 0.948 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)c1 1623850113 QRIODLRNJRBRAJ-GOSISDBHSA-N 409.446 0.889 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](n1cncn1)C(F)(F)F 1643571741 OYEBQYIZVVGIGS-LBPRGKRZSA-N 416.385 0.627 30 20 HCED COc1ccc(CN(CCO)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 1651198813 ZSGVEIQBTRCCOM-UHFFFAOYSA-N 403.460 0.866 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1663561039 UVNJCVRGWQEYST-AWEZNQCLSA-N 417.557 0.428 30 20 HCED COC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1697767007 KHGZITXMGDACAF-DLBZAZTESA-N 417.514 0.238 30 20 HCED COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1712426824 YXIDLLQPVMPIMO-UHFFFAOYSA-N 413.482 0.243 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1729739843 URRCLTCDXSNPPX-HNNXBMFYSA-N 404.496 0.839 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777963054 DIVCWYSRVHARBA-VGOFRKELSA-N 416.522 0.925 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1778971459 MVQOWEZLDNZXCY-MGPUTAFESA-N 404.467 0.502 30 20 HCED N[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccn1 1779016611 MBRHDGQHAHEYSW-UIVATEENSA-N 414.510 0.383 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1779100575 DFZDHOYJGDKFSD-DOXZCSRISA-N 419.434 0.612 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1779240624 SXTBFWAIDCNBRK-GOSISDBHSA-N 417.443 0.534 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)c1 1780598908 BYBAEWISBOYNOK-OAQYLSRUSA-N 407.430 0.259 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn(C)n1)C2 1780802488 NXAYLEQAASSNIT-QMTMVMCOSA-N 406.487 0.744 30 20 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417.462 0.547 30 20 HCED Cc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C[C@@H]32)[nH]1 1784716683 GEOKCMUOLPFFFT-SJSMJELUSA-N 419.482 0.840 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1785522644 FWVIKYBXPPFJLT-PIUNUONSSA-N 422.526 0.877 30 20 HCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787498457 NOZFWYTTYMEQGO-MDLJMBGESA-N 420.535 0.572 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OCC)CC3)C[C@@H]21 1788576186 ZFDYLZPFDJVBHF-QAETUUGQSA-N 422.522 0.883 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21 1788606430 PUVLRUYHCXYPAT-PCXFNGIVSA-N 416.526 0.794 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1789892404 OLRVCGRYDQGSAL-ULQDDVLXSA-N 423.510 0.248 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)CC 1793247268 UOVAVUZRXJHSHP-ZXFNITATSA-N 409.483 0.000 30 20 HCED 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N#CCCn1ccc(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 469557149 UPPLAXXSCMFITJ-MRXNPFEDSA-N 407.434 1.285 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472079826 WYZOAGPNVHGWMC-UHFFFAOYSA-N 411.532 0.103 30 20 HCED CCn1c(CCC(=O)N2CC(O)(CC#N)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 473372375 XGUKDWRECIMQBF-UHFFFAOYSA-N 419.507 0.726 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 476162930 PWSMATYPGHLUFV-UHFFFAOYSA-N 404.452 0.185 30 20 HCED CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1(C)C 476862039 UQLOUOIKTWPPAG-NRXGSXMXSA-N 409.508 0.907 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C(C)C)c1=O 478868358 UAHBOGZNXYEZJA-UHFFFAOYSA-N 417.560 0.832 30 20 HCED C[C@@]1(c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)NC(=O)NC1=O 481320345 ZPQZWAOVACIUFX-NRFANRHFSA-N 404.430 0.970 30 20 HCED CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482182914 QRFOENOKNPEZGD-CVEARBPZSA-N 407.540 0.367 30 20 HCED COC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 484345234 VLZVZMDSKZFICR-INIZCTEOSA-N 409.464 0.263 30 20 HCED C=CCN(CCOC)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 484557290 NBITYKHMEIAOKV-UHFFFAOYSA-N 411.524 0.458 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 488078912 UDWSJXROSYEXLU-LZLYRXPVSA-N 402.561 0.802 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cc(C(N)=O)ccc3F)C2=O)cc1 488644306 DSTFDSWKMCLNMH-INIZCTEOSA-N 423.404 0.652 30 20 HCED COCCN(CC(=O)OC)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 496832207 QDRFPKWCAIXDPT-OAHLLOKOSA-N 402.407 0.411 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC2CCN(CC#N)CC2)[C@H](C)O)cc1 500630214 GXXVTUBHVRVNPI-MAUKXSAKSA-N 408.524 0.375 30 20 HCED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 506447087 HKUHIZKDDHUKGH-LBPRGKRZSA-N 421.866 0.981 30 20 HCED Cn1c(N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c(C#N)c(=O)n(C)c1=O 520561749 ZPRDXXIDKHSHAB-CYBMUJFWSA-N 421.454 0.042 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1 520988874 JOKKUSPAGIDFKH-UHFFFAOYSA-N 422.551 0.823 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1[C@H]1CCOc2ccccc21 525173311 VWDMYGADCWQREK-INIZCTEOSA-N 421.482 0.264 30 20 HCED N#Cc1ccc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1Cl 532706795 XHROKMKSCHTQDU-JKSUJKDBSA-N 412.899 0.238 30 20 HCED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c1=O 545208219 HZEQNWRVBBZANV-UHFFFAOYSA-N 418.906 0.385 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(S(=O)(=O)NC)cc3)no2)C1=O 545699875 BKFJAHJUVFILQX-UHFFFAOYSA-N 405.392 0.122 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CC)c2nnc3n2CCCCC3)C1=O 552981709 BLEIEBROOGAHBZ-GJZGRUSLSA-N 402.499 0.817 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(C[C@H]3CCOC3)C3CC3)C2=O)cc1 571436975 DFYMQGLBIBBIPG-MJGOQNOKSA-N 410.474 0.803 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 576783206 YVGOJGUQVLGPAU-QGZVFWFLSA-N 422.493 0.121 30 20 HCED CCNC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 577107030 LUCCNIUZYGHBLO-UHFFFAOYSA-N 400.460 0.903 30 20 HCED C=CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 579175502 RQCKHOVCGJCCMR-UONOGXRCSA-N 417.509 0.211 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCOC[C@@H]3CCCO3)CC2)nc1 585693132 MTIZFENJTQLIGX-SFHVURJKSA-N 415.494 0.740 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CC1 588127548 LATXDNSYPOFJIH-UHFFFAOYSA-N 415.469 0.143 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@H]2C1 589032939 SBQWEPYKJLHHIE-CWRNSKLLSA-N 400.483 1.211 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)CCc2ccccn2)cc1 589558447 ZMLWAMCSKLHVPG-UHFFFAOYSA-N 416.503 0.977 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C1CC1 590998539 QDUHOWZRDQIUIX-UHFFFAOYSA-N 414.443 0.419 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)cc1 594252194 WXXSBMSYFBHOSL-UHFFFAOYSA-N 401.467 0.805 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)cn2)c1 610610779 VEKXSNNEVSJKFC-HNNXBMFYSA-N 406.402 0.920 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN([C@H]3CCOC3)CC2)CC1 611431483 RTTPSWWNEGAVKC-SFTDATJTSA-N 415.513 0.941 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc(C)ncn2)cc1 677458763 JWJXKWGYVYAPLZ-UHFFFAOYSA-N 403.464 0.846 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 728570407 CGLCCUZHVPOMDE-HNNXBMFYSA-N 415.494 0.348 30 20 HCED Cc1ccc([C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N2CCOCC2)o1 732442293 UXYJZEOIOJMZNV-IJYGLTAASA-N 417.466 0.787 30 20 HCED N#C[C@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910925 WJSSPIHIVGMQTQ-JKSUJKDBSA-N 403.460 0.001 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1=O 732981697 VFFYMLNPKZZUEO-INIZCTEOSA-N 419.526 0.376 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738854586 HRKOQDYSDRBQJQ-LLVKDONJSA-N 401.423 0.106 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCNc2ncccc2C#N)cc1 742055536 OKUPJZIIZXRSAU-UHFFFAOYSA-N 415.475 0.657 30 20 HCED CC(=O)N(C)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742583023 HPYSBAMMKHEEFP-ZDUSSCGKSA-N 406.508 0.973 30 20 HCED C#CCNC(=O)C1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 747817976 BDQUEEPQHOQSOP-CABCVRRESA-N 420.535 0.361 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)cc1 752044939 SAZCUIDLFBPRCH-KUHUBIRLSA-N 418.475 0.048 30 20 HCED COC(=O)c1cccc2c1OCCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 755159064 QIMYEVFSDFWOGU-UHFFFAOYSA-N 415.427 0.937 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cccc3c2OCCCO3)c1=O 758082658 DVGRZEXHAPFEEM-UHFFFAOYSA-N 423.494 0.734 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)Cc2ccon2)CC1 762232452 JOHJAFHYUFGJDU-UHFFFAOYSA-N 403.416 0.429 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNc2cc(C#N)ncn2)cc1)S(C)(=O)=O 764873353 XQFGDOAGQGYSBO-UHFFFAOYSA-N 411.465 0.565 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 766387264 AZOZIYSYDPJQCK-UHFFFAOYSA-N 419.457 0.987 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(C)oc2C)c1=O 767957831 GESPQZOOIMZIHG-UHFFFAOYSA-N 413.499 0.799 30 20 HCED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Cl)ccc1OC 771893314 YWJGJXUXNJELGH-UHFFFAOYSA-N 414.871 0.839 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C2=NC[C@H](C)S2)CC1)c1cc[nH]n1 772300375 DYPQMNLTHDQCEM-LBPRGKRZSA-N 408.484 0.329 30 20 HCED CN(C)C(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 777492310 HIWSBMDOFCFHAY-UHFFFAOYSA-N 421.523 0.720 30 20 HCED N#C[C@H](C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 781803314 DBHVIKRDHZHGAF-SNVBAGLBSA-N 417.346 0.776 30 20 HCED COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 782577168 KEMLTRUTVOFIIJ-UHFFFAOYSA-N 403.416 0.810 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2CCCN(C)CC2)cc1 783351163 VPFOZAWFUNPQHR-UHFFFAOYSA-N 408.524 0.484 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 783478953 HJLISAVOHUSPAB-NSHDSACASA-N 416.402 0.884 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 783479621 LNWNVNQBEODEHR-CYBMUJFWSA-N 400.403 0.918 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1=O 783844202 HSZFJNJVHGTEMR-STQMWFEESA-N 408.455 0.915 30 20 HCED C[C@H](CC#N)NC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786425203 BUVTTXUCOHXZOX-CYBMUJFWSA-N 417.470 0.891 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3ccn(CCS(C)(=O)=O)n3)CC2)c1C#N 788292654 HWVRWDZBQNRCGE-UHFFFAOYSA-N 420.499 0.195 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2)n1 789788643 KHOFVSDFMJQBQX-UHFFFAOYSA-N 411.462 0.832 30 20 HCED CN(CCCC(=O)NS(=O)(=O)CC1(C#N)CC1)S(=O)(=O)c1ccc(F)cc1 793193887 DRIAHZQNUQOTBV-UHFFFAOYSA-N 417.484 0.976 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NCC(=O)NC(C)(C)C)CC2)o1 796280305 RONAOZWMBSNWNP-UHFFFAOYSA-N 405.455 0.645 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 800848886 JVAMXPXVPBQDLK-UHFFFAOYSA-N 409.496 0.254 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1COC(=O)N(C)C)c1cc[nH]n1 804655788 DSERFZWBPBGIHY-ZDUSSCGKSA-N 409.443 0.773 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 804961885 ODHDLSKGXIRFFC-GFCCVEGCSA-N 418.493 0.135 30 20 HCED CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)c2C)nn1 813984850 DASAZFPNVWRCGQ-UHFFFAOYSA-N 413.419 0.755 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 917249863 CFPDXULWLBLNGS-ORAYPTAESA-N 420.491 0.865 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 918412733 HCGLDFOMNUMSDW-UHFFFAOYSA-N 415.494 0.930 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1CCN(c2ccc3nnnn3n2)CC1 919056865 DQVWFSKMDUSXAY-ZDUSSCGKSA-N 400.443 0.287 30 20 HCED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286537133 WYPSUVAVXCJJSN-LBPRGKRZSA-N 410.276 0.538 30 20 HCED N#Cc1sccc1N1CCN(C(=O)Cn2cc(Br)c(O)nc2=O)CC1 1300769132 ZEDNMSVKIVQMNE-UHFFFAOYSA-N 424.280 0.993 30 20 HCED CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1302172722 NQGGTFOKPIZSNV-CABCVRRESA-N 410.544 0.877 30 20 HCED O=C(CSc1nncs1)NCC#CCNC(=O)CSc1nncs1 1337728852 XUZSWWAYBMJLOL-UHFFFAOYSA-N 400.536 0.510 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2CCOC[C@@H]2C1 1507782297 ZMGQEEKMHXERFN-QWHCGFSZSA-N 411.304 0.659 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509954401 PGJXSDZREJRDLZ-KBPBESRZSA-N 406.516 0.698 30 20 HCED Cn1c(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1532404606 ANPQELHOQWILEB-UHFFFAOYSA-N 416.459 0.815 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)CCO1 1620355443 JTLXPOQYLAQYFS-LSDHHAIUSA-N 409.512 0.604 30 20 HCED COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)COc1ccc(C#N)cc1OC 1642207093 ZAMPYTIGZPXJHP-TZMCWYRMSA-N 421.475 0.915 30 20 HCED N#Cc1cncc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 1642262972 STTXQPJRKWQWAQ-UHFFFAOYSA-N 400.420 0.190 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690342273 HKFNWYDEFVLKRF-CYBMUJFWSA-N 416.935 0.747 30 20 HCED C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1693548174 NLVGOZONTIDAGB-CQSZACIVSA-N 416.507 0.918 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)NC2CC2)C1 1698486859 UFDVAEPNRNFZPF-LJQANCHMSA-N 403.462 0.901 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1722866166 OLGWCLDQSFDZCO-CYBMUJFWSA-N 407.500 0.214 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100343 URTLVNUDDNGZMV-ODSDJFLOSA-N 424.498 0.260 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781052321 ZOAVPDDWWIQTGE-MRUHUIDDSA-N 402.495 0.767 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/c1ccc(F)cc1F)CCO2 1783557159 BTCKSDOKFOKKKJ-ZFDYTMOGSA-N 404.369 0.896 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558753 XSUIOZZEQFZPNP-XOBRGWDASA-N 423.466 0.065 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CNC(=O)C4)C[C@@H]32)cc1 1783604228 HINQHAHARIKYGT-RDGPPVDQSA-N 410.474 0.217 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cn2[nH]cnc(=O)c12 1783899704 VWZXNROKULAMHB-XIKOKIGWSA-N 405.480 0.093 30 20 HCED COC(=O)c1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)cn1 1784383013 LUQQTMXZEMGZSW-LNLFQRSKSA-N 411.458 0.875 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(F)nc3F)C[C@@H]21 1784474833 PKJLOPSVRQBUGU-SDADXPQNSA-N 407.417 0.991 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1784495120 VQVPTIISAQCDSO-VJANTYMQSA-N 419.526 0.877 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1785375920 JMSCACBVAVYQSL-NRFANRHFSA-N 407.430 0.871 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](CCC)NC(C)=O)C2)C1 1785442603 IQIYNFDRZUXJHH-FIKGOQFSSA-N 409.527 0.694 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnnc(Cl)c3)[C@H]2C1 1785446199 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C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Cn1cncn1 1797898572 VAYHIQXYTMXOHK-KSWRQPAISA-N 405.499 0.077 30 20 HCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cnc(O)[nH]2)C3)ccc1F 1799327809 YVACNQJFYDAYDU-ZSBFGKGUSA-N 413.409 0.572 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCN(C)CC1)C2 1799393711 MIDUTYKTANIJNY-FTEYMNFISA-N 423.558 0.014 30 20 HCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800737106 CQVHVGRPULNBPL-RZENTVJPSA-N 407.470 0.899 30 20 HCED CC#C[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2)c1ccc(O)cc1 1801057932 AAWWGVQAGRNPSJ-PRHHBONVSA-N 424.453 0.567 30 20 HCED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@H](C)C#N)c1 1801763591 GGIYBRDQQGWMEP-UEILYKACSA-N 414.462 0.873 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](CCC)NC(C)=O 1802032454 FGIUQSHQZYCGMD-AJYBTWMASA-N 409.527 0.864 30 20 HCED 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30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1831216321 KZWABFBKMVMAIB-IBGZPJMESA-N 404.854 0.613 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)N(CC)CC)C2)C1 1831388863 ZSQVONZCCHJSPG-XQBPLPMBSA-N 423.554 0.602 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cccn3)C2)C1 1831414569 ZJTYZCBASCOLQS-RXVVDRJESA-N 420.510 0.883 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1831421282 HJWOWBKJAKRIKM-ACJLOTCBSA-N 413.858 0.989 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1831425593 VXQRUJSVFRLLFE-JUXOCIIHSA-N 418.490 0.768 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833439569 UGGVOWYXOQAYEP-FOIQADDNSA-N 422.482 0.090 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cc[nH]n3)CC2)CC1 1833560004 XIZBKIDUMVKWRA-ARJAWSKDSA-N 414.510 0.453 30 20 HCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c(F)c1 1833630823 CMGLYJRYBQFQNA-IBGZPJMESA-N 406.414 0.603 30 20 HCED 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N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5c4CCC5)C3)C2)CCC1 1840815540 YAAPCJSQAAGSQO-OAQYLSRUSA-N 413.478 0.593 30 20 HCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1841223752 UNRMGHPCJSWNQB-WBVHZDCISA-N 410.474 0.673 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413872 BVBPGCIPZQUDFD-OAHLLOKOSA-N 413.540 0.189 30 20 HCED CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)CC1 1844300233 SIYNPUKEBLBYRC-INKLHFNDSA-N 421.542 0.356 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C2 1845958054 OVMXENULDCUUPQ-SUMNFNSASA-N 411.524 0.485 30 20 HCED Cc1cc(C)c(C#N)c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1 22740601 MLYFCEPHMRQCMO-OAHLLOKOSA-N 408.549 0.994 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCS(=O)(=O)C1 29450582 CDXXLNAQOOGURG-FUHWJXTLSA-N 419.551 0.889 30 20 HCED N#Cc1c(F)cccc1N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 42133574 BMERZIBZDRVRBH-UHFFFAOYSA-N 409.469 0.958 30 20 HCED Cn1c(N(CCO)Cc2cc(Br)ccc2F)c(C#N)c(=O)n(C)c1=O 301417477 AZRQTPRXPPDHNI-UHFFFAOYSA-N 411.231 0.856 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\C[C@@H]3CCN(S(C)(=O)=O)C3)NC[C@H]2C1 305248751 IPIFXEUZIMUDOV-KBPBESRZSA-N 401.533 0.148 30 20 HCED COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCC(=O)NCCO)cc1 439252411 ZDFWKFJONFSXSQ-UHFFFAOYSA-N 412.402 0.522 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 441300617 CWBOMTNCMSGRJO-UHFFFAOYSA-N 402.451 0.849 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(C(C)C)n2)nn1CCC#N 442459303 SQTZRCIODYUEBG-CYBMUJFWSA-N 401.427 1.150 30 20 HCED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442519430 YMIAWXJJTOWXCL-DOMZBBRYSA-N 417.853 1.334 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 443286312 SIZOVSKAQLUPDX-GFCCVEGCSA-N 400.313 0.369 30 20 HCED C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 461663985 PMJWSQRPMWDUCW-MAUKXSAKSA-N 406.508 0.358 30 20 HCED CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc21 467352719 ALJRKVOOZKGVHX-UHFFFAOYSA-N 424.465 0.643 30 20 HCED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCO[C@@H]2C)O1 468549317 UQYPHECLFBRKEQ-CLCXKQKWSA-N 407.492 0.974 30 20 HCED C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471050509 OLLMESYCSMCSGI-YOEHRIQHSA-N 414.462 0.816 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472209388 GOGPWGGENCPSCS-UHFFFAOYSA-N 400.464 0.991 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472858971 LITAQIQJKKBXLJ-UHFFFAOYSA-N 409.450 0.247 30 20 HCED COCCC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 475670842 HYPAXFCMKGHJSI-QGZVFWFLSA-N 419.551 0.638 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(C)(C)c1noc(CN(C)C)n1 481283116 HNCCCXHBIOTQOA-LBPRGKRZSA-N 420.495 0.721 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1)CC2 484951342 RIEIHJUBQOPEJU-UHFFFAOYSA-N 413.455 0.530 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)n1cccn1 490268377 IEUXWSXRKAZIBB-MAUKXSAKSA-N 408.462 0.691 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 507751886 ZNEZAQLRUPGQRQ-ROUUACIJSA-N 407.559 0.876 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](CO)C2)CC1 509943371 WBSBPTKSMCBZTO-INIZCTEOSA-N 406.508 0.095 30 20 HCED N#CCCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 510078632 KMZAIPKVAPXXCM-AWEZNQCLSA-N 414.509 0.967 30 20 HCED N#CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 510557810 GQHWUIFGJIKSQW-UHFFFAOYSA-N 405.480 0.891 30 20 HCED CN1CCC(C#N)(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 518300414 QECZYQQDVMODKD-UHFFFAOYSA-N 422.507 0.620 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 539649827 XZNWJHRWQLIJBM-UHFFFAOYSA-N 414.384 0.899 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 544303726 RTMSTXFJZKHMJU-CQSZACIVSA-N 404.423 0.869 30 20 HCED CN1CCN(C)[C@H](c2noc(CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)C1 546496466 TWNYWPWPLRPEKG-HOTGVXAUSA-N 409.450 0.917 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 549321566 ZWPYVHQQOPJKHZ-MRXNPFEDSA-N 406.454 0.711 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)cc3F)C2=O)cc1 555497275 TYEMJQDZGIXKSX-KRWDZBQOSA-N 416.434 0.876 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 555620709 MRHGHZODDVVBGW-UHFFFAOYSA-N 423.473 0.978 30 20 HCED CCOc1ccnc(N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)n1 574179585 WXIBANXQWUUIKD-UHFFFAOYSA-N 406.446 0.985 30 20 HCED C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 574181109 SPZPMCZCQNKFRF-RDJZCZTQSA-N 406.508 0.500 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)c1C#N 577985909 QFAURIZVDFBHNP-DJIMGWMZSA-N 412.494 0.323 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C[C@@H](C)O)c2ccccc2)CC1 583960657 NSIBCTNARIYFNQ-IEBWSBKVSA-N 416.522 0.104 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CN1C1CC1 589114679 VAZZHZVKRDADEK-ZFWWWQNUSA-N 412.494 0.814 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 608911136 MCBGOIHMJCJWBA-UHFFFAOYSA-N 422.869 0.217 30 20 HCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 612819999 AQWDVSOVQQOJLQ-ZDUSSCGKSA-N 418.479 0.574 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Nc1cnn(CC(=O)NCCO)c1 613161699 IMRILIPOXBDQPI-UHFFFAOYSA-N 409.410 0.396 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1=O 726042596 KYCVHPFUHBKBEG-KGLIPLIRSA-N 401.419 0.815 30 20 HCED CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 726788272 DHUNJQOPHCAZFC-CQSZACIVSA-N 419.459 0.683 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 727740599 REEFGOWYYNDZCV-UHFFFAOYSA-N 406.508 0.832 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795653 QVYGJPDYXYHPHS-CQSZACIVSA-N 415.519 0.527 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795675 RWOBSJQUUUSOIG-UHFFFAOYSA-N 415.519 0.529 30 20 HCED Cc1ccc(CN2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909145 ZMWYGBLPAAGDNS-IAGOWNOFSA-N 417.487 0.309 30 20 HCED N#C[C@H](C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCS(=O)(=O)CC1 732909343 AANJAKKCIVMBLV-CQSZACIVSA-N 420.447 0.774 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1 742048705 OVLIIQRIGQXDSD-JXAWBTAJSA-N 416.525 0.766 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 746456396 ZVUOVDQUCHFCJP-UHFFFAOYSA-N 421.410 0.156 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)C1=O 748526550 MAWFUJJEUQYFMH-UHFFFAOYSA-N 419.825 0.192 30 20 HCED Cc1ncoc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 750929327 DCKHUXPJHNUPHF-UHFFFAOYSA-N 418.431 0.545 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(N2CCOCC2)nc1 754600450 YVBCXUIEFNEWSA-UHFFFAOYSA-N 415.475 0.620 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccnn2CC)c1=O 758067267 NRCKMKKXOGXMNM-UHFFFAOYSA-N 403.467 0.901 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc(OCC)n2)c1=O 758079013 VGQQLLROKBJALJ-UHFFFAOYSA-N 422.510 0.899 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1 761025459 UMGHWKNSKBMUCJ-UHFFFAOYSA-N 404.536 0.898 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(O)CCN(C)C1 762722510 RBASRYFEIHABKQ-KXBFYZLASA-N 408.524 0.323 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)c1 765145197 HCNWFIJMNDFSSL-UHFFFAOYSA-N 408.439 0.998 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1nc[nH]n1 785056855 AEZDBDBOEUJNKL-FOGZXTFPSA-N 419.467 0.433 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCCCC1 785662540 YFVJJPSLUODSOB-MRXNPFEDSA-N 406.483 0.053 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(-c2ccsc2)nn1C)[C@@H]1CCS(=O)(=O)C1 787560971 SUWOIBRRBIQLHE-CYBMUJFWSA-N 406.489 0.736 30 20 HCED Cn1c(=O)ccn(CC(=O)Oc2ccc(C#N)cc2I)c1=O 798584093 HEEYNBPXRKNUFX-UHFFFAOYSA-N 411.155 0.629 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 809311792 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414.509 0.670 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)N2CCOCC2)C(C)C)c1 927571146 MRVLKYWHZHRUNE-KRWDZBQOSA-N 408.476 0.638 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1N=c1cc[nH]c(C#N)n1 1052780497 JJDAVMVHPLMYJX-LTIWMGKSSA-N 405.462 0.334 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1Nc1ccc(C#N)nn1 1052780941 UZQRYZMPOUGVNK-JPZLZDEASA-N 405.462 0.912 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N(CC)[C@@H]1CCS(=O)(=O)C1 1116236432 WDXHJGGAQJNOKQ-CYBMUJFWSA-N 416.525 0.151 30 20 HCED Cc1c(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)cnc2c1c(=O)n(C)c(=O)n2C 1129605581 XLCKRBZGKDDQPU-UHFFFAOYSA-N 404.386 0.411 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1226074518 CMOVLAUWPMJFJY-LJQANCHMSA-N 412.494 0.793 30 20 HCED CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCS(=O)(=O)C1 1288067043 UJEOEFAXJDWAKD-OAHLLOKOSA-N 408.528 0.981 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O 1300845421 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0.204 30 20 HCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnncc1C(=O)O)C2 1782184460 RFYMKIZHHIXTEN-YRILPIOLSA-N 408.480 0.621 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[S@@](=O)CC)C[C@@H]21 1784503527 CCPRLFZZMREDJC-GJGKZLBNSA-N 400.541 0.716 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1785014827 SUPKTJUJTROPAW-UBHSHLNASA-N 408.480 0.400 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(=O)O)ncn3)[C@H]2C1 1785639881 OJDJIHXFUZNTGE-HUBLWGQQSA-N 401.423 0.318 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1cnsn1 1785659381 RUFYYPFPWSEJKY-SURZHCCJSA-N 403.464 0.844 30 20 HCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC#N)[C@H]2C1)[C@@H]1SC(=N)NC1=O 1786702325 RWZJSIABFWCUAE-MCZMQQNQSA-N 407.496 0.072 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccc(C)n3)C[C@@H]21 1789954059 RXUCQUAFEZHRTB-XSLAGTTESA-N 405.499 0.972 30 20 HCED COc1cc(C)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 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Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1C 1835338920 YXNFODLGIAVCRN-HXUWFJFHSA-N 401.467 0.031 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835915123 ZZTKEIDVCCIGRM-NQIIRXRSSA-N 418.469 0.765 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C=O)s4)CCO3)C2)CC1 1835940696 DHCXYKXMMVDMQL-IBGZPJMESA-N 403.460 0.934 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnn(C)c4)CCO3)C2)C1 1835986374 PJZZHNYMJRWZIR-OAQYLSRUSA-N 402.495 0.775 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2C[C@@H]4C[C@H]4C2)CCO3)C1 1837278476 GBBYDKJTDKTMIQ-JLEJFLCFSA-N 403.523 0.749 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1837392670 HEUOFLQWXVWZHK-IERDGZPVSA-N 410.511 0.631 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)C1 1837524932 JMWURHSIYYNBGQ-ZISMNVMJSA-N 421.494 0.938 30 20 HCED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560444 VLNSHUFPNDRNPP-FAKCTINISA-N 418.494 0.249 30 20 HCED CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838551002 MYSGIJQXHMZWMZ-UHFFFAOYSA-N 401.467 0.635 30 20 HCED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450691 CXVAIULXZZKSAH-RXVVDRJESA-N 401.463 0.708 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840582992 PAKUEHHTYCPUMU-LAUBAEHRSA-N 404.511 0.619 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)cc1 1843009145 NPYYGMRVFTXPLD-UHFFFAOYSA-N 403.402 0.420 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1844385742 OADDXIQBXIQFFS-SFHVURJKSA-N 414.462 0.535 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CN3CCOCC3)C4)c2c1 1845581403 KEVJABMFJRLJQP-UHFFFAOYSA-N 408.462 0.584 30 20 HCED C=CCC(F)(F)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1846011365 DERAGSNXTFCGBW-UHFFFAOYSA-N 405.467 0.827 30 20 HCED C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 15108193 NLDJSNMMVKNAAJ-ZDUSSCGKSA-N 412.468 0.600 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 52721313 SFNKDXZWSJJFLR-OAHLLOKOSA-N 408.480 0.081 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[C@H]1O 426123910 QGQJEINIIFDXON-NVXWUHKLSA-N 406.508 0.094 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CCC1 431015472 PCOBTJIRZUGMBM-UHFFFAOYSA-N 410.455 0.461 30 20 HCED CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433054174 AEVOHRHDCLPRAT-UHFFFAOYSA-N 422.326 0.977 30 20 HCED COCCN(C(=O)CN(C)CC(C)(C)C#N)c1c(O)nc(=O)n(CC(C)C)c1N 433306163 QAEDLGTWHOAZRG-UHFFFAOYSA-N 408.503 0.648 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 438219535 MMWPKXNIEVFXBO-MRXNPFEDSA-N 409.464 0.265 30 20 HCED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 439404857 RURDLDRNYPMYDC-AWEZNQCLSA-N 407.496 0.322 30 20 HCED CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H](C)C1 441055574 XALGLJRQPVXQJG-MAUKXSAKSA-N 409.494 1.325 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 443424690 VZBAAEXZICSIJS-UHFFFAOYSA-N 404.433 0.913 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1cn2ccccc2n1 460585340 LCTJETXWCMVDTH-UHFFFAOYSA-N 414.429 1.393 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2OC)CC1 463708020 XRONCVQZCHXLHK-UHFFFAOYSA-N 423.491 0.989 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)c2ccccc2C1=O 465282708 DWEVTUZYRYPFOT-AWEZNQCLSA-N 419.445 0.865 30 20 HCED C=CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c(OC)c1 469069468 WWBXRIKIZJTGBX-UHFFFAOYSA-N 421.479 0.454 30 20 HCED CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 471197379 XBYYDRKFBUHOPM-UHFFFAOYSA-N 409.468 0.663 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 472441849 DCSNZZJUURJGMI-KBJGYGKASA-N 406.442 0.780 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 473627462 AMQFCPGFJRMOFW-HXUWFJFHSA-N 423.517 0.816 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 473843553 POTVCXNXFAXRRY-IAGOWNOFSA-N 405.476 0.483 30 20 HCED N#CC1(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)CCCCC1 476416159 FPPUMKPZRNRKTI-QGZVFWFLSA-N 420.535 0.983 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2Cl)c1=O 480180379 AHXVZCJYBYRERC-ZDUSSCGKSA-N 403.891 0.898 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482159627 XWRRNXIZBLPZII-DLBZAZTESA-N 421.567 0.615 30 20 HCED Cn1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(=O)O 486048534 RLACNPPUDHGJQY-HNNXBMFYSA-N 402.432 0.674 30 20 HCED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 488985664 RORIFQJMUWKIRY-HNNXBMFYSA-N 412.467 0.825 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)n2)cc1 494050382 QJCQMALVFPJDNG-SFHVURJKSA-N 423.477 0.317 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 501171646 WRRGNUPGXNNZBE-JERHATOGSA-N 424.461 0.874 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 505666294 XCECIVKKWWDMPY-NHQOTNMQSA-N 418.453 0.977 30 20 HCED C=CCOc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1OC 505963110 VOICJXPPNGKPRB-ZIAGYGMSSA-N 410.492 0.929 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)CC1 506783635 YCTFBSCIOJAETI-QGZVFWFLSA-N 406.487 0.475 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 507672730 BUYDDXJHTGQXFU-ZIAGYGMSSA-N 408.480 0.730 30 20 HCED C=CCn1c(Cc2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508498512 SOMGIDSHNRGOPY-AWEZNQCLSA-N 400.870 0.855 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 509725054 BSQIRHXOIYHQGT-QWRGUYRKSA-N 419.912 0.429 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 520265572 JALJAEQNAFQGPF-HKUYNNGSSA-N 402.495 0.163 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cn2)c1=O 522241469 AOPACLDPOSJLIY-UHFFFAOYSA-N 407.293 0.726 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(OCC(=O)N(CC)CC)c2)C1=O 522242059 XWNZNIGABGVRJV-UHFFFAOYSA-N 416.434 0.849 30 20 HCED COCCNC(=O)CN1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 522273477 VQWFUVCAPNENMK-FQEVSTJZSA-N 402.495 0.868 30 20 HCED CCCN(C)C(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 522895788 KUKDKCBWQZNYLL-MRXNPFEDSA-N 424.548 0.949 30 20 HCED CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1F 525435667 MZPXELSYJDTNHJ-LBPRGKRZSA-N 412.443 0.592 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)cc1 534582189 NDHPMYPDZSDESV-MRXNPFEDSA-N 421.479 0.015 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3c2CCN3C(=O)COC)C1=O 541650438 MOBSLGXWDAAAQF-UHFFFAOYSA-N 400.391 0.137 30 20 HCED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 550462660 BISBDVUEBLDCIY-UHFFFAOYSA-N 407.426 0.920 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(F)ccc2OC)c1=O 555204707 NEOGCPLFDPAJIS-UHFFFAOYSA-N 405.451 0.343 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 555691334 YOPPGASYVZYOJM-FQEVSTJZSA-N 418.501 0.993 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCC1(C(N)=O)CCOCC1 555947059 FQMHQXAQAWHGLU-UHFFFAOYSA-N 402.270 0.881 30 20 HCED N#Cc1ccc(C(=O)CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 557110035 PVLGMAXHRGANAU-UHFFFAOYSA-N 414.399 0.113 30 20 HCED CCOC(=O)c1c(NC(=O)CCN2CCCS2(=O)=O)c(C#N)cn1CCOC 558050549 ODLFHDGFSJZDQF-UHFFFAOYSA-N 412.468 0.547 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 558994168 UHBVBOLTHZVHJC-UHFFFAOYSA-N 417.514 0.263 30 20 HCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc2C1=O 560052982 SBRSFGLRMUVVJC-UHFFFAOYSA-N 418.413 0.466 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 560647295 NCNZZTSPGSTJMY-KRWDZBQOSA-N 411.506 0.720 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCCn3c(=O)ccn(C)c3=O)CC2)o1 564342605 BTOGIFICROHLLJ-UHFFFAOYSA-N 400.439 0.138 30 20 HCED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 568588962 WSMHASWJKNRMIA-UHFFFAOYSA-N 413.455 0.982 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 572431578 VARNQNBAPYNHEC-NSHDSACASA-N 403.888 0.830 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 603794760 MTZCKWKZCYEMLM-UHFFFAOYSA-N 411.483 0.888 30 20 HCED N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)nc1 609342995 NBBCPLMDIRSCAS-CQSZACIVSA-N 420.472 0.671 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)NCC3CCC3)CC2)nc1 609467182 QGKUTQJPPMMVGS-UHFFFAOYSA-N 420.539 0.941 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O 611564621 KRWLXTCWXWOTNX-IRXDYDNUSA-N 424.461 0.732 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NC(C)C)nnc12 623041159 MSZJKNPJLGJNHN-UHFFFAOYSA-N 414.491 0.963 30 20 HCED C=CCN(C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 681430292 INGHUMAJXOHGLT-CABCVRRESA-N 406.464 0.644 30 20 HCED C#CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403756 MWEVTZQGSWCFJA-UDJKBAMHSA-N 420.516 0.436 30 20 HCED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cn1 726887665 JCVVOGHPMTUNDZ-CQSZACIVSA-N 417.491 0.969 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 729281829 PNOJAULPFBVPCJ-INIZCTEOSA-N 416.909 0.977 30 20 HCED C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)N1CCOCC1 729445948 PKDHYWNVMAAPFT-GJZGRUSLSA-N 408.524 0.731 30 20 HCED N#Cc1cnn(CCOC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1N 732504378 RPVYPKGYMZQKJQ-QGZVFWFLSA-N 408.418 0.356 30 20 HCED N#C[C@H](C(=O)CCn1cc(Br)cn1)C(=O)N1CCS(=O)(=O)CC1 732907882 FOAKLOQKMCXRIM-LLVKDONJSA-N 403.258 0.002 30 20 HCED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732911057 XOZBPQSZNASUID-STQMWFEESA-N 407.423 0.144 30 20 HCED CCNC(=O)NC(=O)[C@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733829965 CJVRTSXZSBXYBM-FZMZJTMJSA-N 415.406 0.541 30 20 HCED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737277887 TTZBSSCADSPLLS-DMJQWXIHSA-N 424.479 0.363 30 20 HCED Cc1cc(C(=O)OCC(=O)Nc2sccc2C#N)nc2c1c(=O)n(C)c(=O)n2C 738856587 WDTGYZKAJIKEJF-UHFFFAOYSA-N 413.415 0.669 30 20 HCED N#Cc1cc(COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)ccn1 747065871 VKXZALHNDLRABJ-ZDUSSCGKSA-N 400.416 0.697 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCC(=O)Nc1cccnc1 750860701 DHUCYYHPFXJZBA-UHFFFAOYSA-N 401.448 0.655 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1C#N 752405900 UCYJKVKETINIHC-AWEZNQCLSA-N 416.482 0.817 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)c1 753988929 DCFPLFYFIHTTRI-QGZVFWFLSA-N 407.492 0.505 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)N(C)CCC3)CC1 757902429 SUCOVTNPVFCQOD-UHFFFAOYSA-N 404.536 0.515 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)cc(C)c2)c1=O 758050262 FFFVEMMLWZBEKK-UHFFFAOYSA-N 407.495 0.522 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758757789 HIEJEQJTNNZOJI-BFHYXJOUSA-N 415.516 0.469 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1 761038508 VTAJZBWJAWOOCK-QGZVFWFLSA-N 419.551 0.699 30 20 HCED CN(CCCNC(=O)CN1C(=O)CS/C1=C/C(=O)C(C)(C)C)S(C)(=O)=O 762649749 YHRRJIVVSDFCAD-OQLLNIDSSA-N 405.542 0.416 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 766606711 WWXMCQVTGMUEDZ-KRWDZBQOSA-N 416.453 0.541 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C 767634155 FEYULWMIHNRNEE-RYUDHWBXSA-N 424.479 0.781 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCN(C2CCOCC2)C1=O 767678645 GBOBKFHJAKMLHJ-GUYCJALGSA-N 421.475 0.548 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3ccc(C(=O)OC)cc3C2)c1=O 770653085 CBURZAFAUDGJGT-UHFFFAOYSA-N 412.446 0.346 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(CN3CCCCC3)no2)c1 773474974 ZFHOAQFRNJQPCF-UHFFFAOYSA-N 417.491 0.897 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC)[C@H]1CCCO1 773791508 CHFMUWFFZVAVRB-CZUORRHYSA-N 409.464 0.181 30 20 HCED CCOc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2nnn(C)n2)cc1 782931650 RVZAMIOLLLATPZ-CYBMUJFWSA-N 403.468 0.877 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 784924531 FVOBVQONAMOAHK-UHFFFAOYSA-N 403.460 0.131 30 20 HCED COc1cnccc1N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787757186 CGRBIOYLGFELMU-UHFFFAOYSA-N 409.450 0.234 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@H]3CCCOC3)CC2)cc1 792742052 GPTQGLSSGNNMSR-MRXNPFEDSA-N 413.521 0.621 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)ccc1F 794910707 KAVHFUPQNDQIJM-GFCCVEGCSA-N 404.485 0.797 30 20 HCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CCF)C1=O 797815054 JKGUXTWNZZZGGC-WGBIJJAVSA-N 402.473 0.240 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCS(C)(=O)=O 802586775 FWZDZCCQUTXOSK-UHFFFAOYSA-N 402.484 0.978 30 20 HCED COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 807318284 QAQXRHDLHWBUEP-HNNXBMFYSA-N 401.345 0.998 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COc2ccccc2[C@H]1O 811577685 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C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335751 MASVGWYATAKFJA-KRWDZBQOSA-N 422.400 0.905 30 20 HCED CN(C)c1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)o1 1835340689 FEOUVVXGVDWSSA-LJQANCHMSA-N 403.439 0.114 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835646662 XUVPPRXQLJADQI-IBGZPJMESA-N 408.499 0.036 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1837390886 FJJAXFBAQKYFNX-NPPFBWRTSA-N 423.554 0.500 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837396504 IEPJSMYSQDEBOW-DYESRHJHSA-N 421.469 0.864 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1837396887 OGKYHRBJAHZXSY-DYESRHJHSA-N 418.494 0.428 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440661 RNLPONLHFKNZJM-YNAMOWOFSA-N 424.542 0.322 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1837447910 WYSQTBFKEGHLMX-QMPWQUHFSA-N 424.567 0.810 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1837524546 JBOHPJUZCJWFMY-NUOTWICASA-N 421.454 0.009 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837564911 DJQCPQMCPHMIFH-UKKLRFBMSA-N 401.463 0.958 30 20 HCED Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)no1 1838773886 BDHGHDIETHVRER-UHFFFAOYSA-N 403.435 0.612 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3C)C2)C1 1839224368 QWGHBBJXWJHBDY-HNAYVOBHSA-N 407.471 0.291 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1839227493 SOBKOFMTWZVCHI-MBOZVWFJSA-N 409.483 0.936 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419881 ZNZUQLOQHDKMPP-GHTZIAJQSA-N 419.453 0.784 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CC3)C2)C1 1839808043 SMMHAZRJXNPOKC-UWJYYQICSA-N 421.494 0.379 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839871015 VDJCYMCTJVOJLD-KKSFZXQISA-N 407.511 0.571 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1)C(F)(F)F 1839894619 IJCVUPLGELQJPN-GUYCJALGSA-N 419.400 0.088 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1)C(F)(F)F 1840567357 OWRKDGVZBXFTPN-KRWDZBQOSA-N 407.433 0.902 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(O)CCC3)CCO2)C1 1840594538 ZQOKRCNTINJGGI-KKSFZXQISA-N 410.511 0.321 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(NC(C)=O)c3)C2)C1 1840842230 VPIRIPCKFQRKRY-OAQYLSRUSA-N 414.462 0.523 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)[C@H](C)ON=C(C)C)C3)CC1 1843974265 DQDPMWPJGWMKBU-INIZCTEOSA-N 407.515 0.155 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844309604 FHTYKWHCLSDCPP-CQSZACIVSA-N 405.455 0.717 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1847073269 CYAOZYDRNZWZSS-VVLHAWIVSA-N 417.506 0.999 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512670 NIGYDKXHMVOYEA-YHUYYLMFSA-N 409.483 0.112 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 54360472 WPCNTDPIWIIXDO-UHFFFAOYSA-N 405.480 0.598 30 20 HCED CCOC(=O)c1ccc(C#N)c(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)n1 55337082 FQZSCXFAQDAGCY-UHFFFAOYSA-N 415.431 0.872 30 20 HCED COc1cccc(OCCN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409481169 ACCGHQPCGVYBLF-SFHVURJKSA-N 410.496 0.161 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 434841984 IHGMVLWEQMMXDJ-QFBILLFUSA-N 402.495 0.931 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)C1=O 439381424 UNXIIEJCEGCORT-OAHLLOKOSA-N 423.495 0.353 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CN(c4ccccc4)C3=O)n2)c(F)c1 441336553 BMLZFWXNBIXMOJ-MRXNPFEDSA-N 418.388 1.353 30 20 HCED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 442001395 KLNMUXVEPDGABK-SJORKVTESA-N 407.478 1.471 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)cc1 442115171 ZDJANLBYMQANNE-HNNXBMFYSA-N 402.495 0.845 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2C#N)c1 443068732 HXFYNFBHXGVGDF-LBPRGKRZSA-N 422.488 0.772 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)cc1Cl 443280189 HTRLJFFRIHSLTR-UHFFFAOYSA-N 400.932 0.880 30 20 HCED N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)CCCN3CCOCC3)C2=O)cc1 463851951 VYLPRLGXZGYCGH-SFHVURJKSA-N 406.508 0.695 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 465329054 ZKCQOQYXZWIKKI-UHFFFAOYSA-N 424.461 0.851 30 20 HCED COC(=O)CN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 471159430 GIDXYJUSUZXVAD-UHFFFAOYSA-N 408.480 0.798 30 20 HCED CCO[C@@H]1C[C@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 476867714 HOOXQDDDTWHZMH-CRFBAAHOSA-N 409.508 0.907 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 479820382 UDWMUSBLNUHNSS-YOEHRIQHSA-N 420.491 0.075 30 20 HCED CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 482154624 GDKMXKTTZVPSOC-LPHOPBHVSA-N 421.567 0.613 30 20 HCED CC[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@](C)(C#N)CC)CC1 485116810 MNOMZTXNYJLZMM-MSOLQXFVSA-N 411.528 0.456 30 20 HCED CN(CC(=O)N1C[C@H](C(N)=O)Cc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 487072895 JKVVWVLWDODUSP-MRXNPFEDSA-N 412.471 0.870 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 487136206 NLRFZSAFXWKVJI-CHWSQXEVSA-N 424.479 0.065 30 20 HCED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)Nc2cc(C#N)ccc2OC)cn1 488349085 KHOPYJOALDLGAZ-KDOFPFPSSA-N 410.434 0.858 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2=O)cc1 489273290 YLNFZTJVZZMRMJ-VBYALHQYSA-N 418.453 0.582 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)cc2F)CC1 491170001 DNEZHNSUNKEDGN-UHFFFAOYSA-N 408.430 0.228 30 20 HCED Cc1onc(CC(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)c1C#N 499992598 OPNQFEVOKRBYCL-UHFFFAOYSA-N 402.499 0.094 30 20 HCED C=CCNc1nnc(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 504998607 MHPDPQSHEKVXBM-LBPRGKRZSA-N 417.582 0.559 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@H]3CCCCO3)CC2)cc1 507534579 UEZQDWVLRNOKRO-INIZCTEOSA-N 413.521 0.763 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)C1=O 508926679 YUAKTPYOZGXSLE-UHFFFAOYSA-N 405.432 0.346 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCCCC#N 510404100 MSQDORUFIUXXBA-UHFFFAOYSA-N 424.479 0.465 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2F)c1=O 514645601 HSCHFBLEYDPHEP-UHFFFAOYSA-N 401.463 0.891 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)n(C)c2n(C)c1=O 516585771 XRVNUCCHLXTEFD-UHFFFAOYSA-N 424.436 0.549 30 20 HCED CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1C 520701253 LXWJFTZTFUVBSC-OAHLLOKOSA-N 408.480 0.715 30 20 HCED N#Cc1ccc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1Cl 532706785 XHROKMKSCHTQDU-CVEARBPZSA-N 412.899 0.238 30 20 HCED CCN(C[C@H](C)C#N)C(=O)Cn1c(=O)c(I)cn(C)c1=O 539856524 WNBPJPPACDWOLG-SECBINFHSA-N 404.208 0.160 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1 544495803 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CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 561546894 ZSWPCHOMOLPRCI-UHFFFAOYSA-N 404.514 0.824 30 20 HCED COCCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 563832183 ACGCCNRUTDOLQL-ZWKOTPCHSA-N 414.462 0.039 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1 565438378 SNNRVWPCAJDMLM-UHFFFAOYSA-N 400.420 0.651 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(F)ccc2OC)c1=O 568341311 SDSOYMYBMGYWRG-UHFFFAOYSA-N 419.478 0.733 30 20 HCED Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868400 LPPTVMZYDUPIIH-DLBZAZTESA-N 421.461 0.268 30 20 HCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1 608911052 GTJJZCPZSBLDRH-UHFFFAOYSA-N 424.526 0.574 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 609632843 YMZCUMQXJSSMFI-MRXNPFEDSA-N 408.524 0.714 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 610797965 MGCVJBJEESYPSQ-HNNXBMFYSA-N 419.507 0.585 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C(N)=O)cc3F)CC2)nc1 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30 20 HCED COC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737239852 OQFXSEDLFRBGTR-ZHZULCJRSA-N 410.452 0.117 30 20 HCED CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737304471 IVBHRTOLDXRRQM-QZMYASAMSA-N 424.523 0.961 30 20 HCED C#CCNC(=O)c1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 737440843 SAYCCUYEXWERIN-UHFFFAOYSA-N 407.478 0.398 30 20 HCED Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746414174 FQTRAINTWCFDFE-MRXNPFEDSA-N 424.461 0.792 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1 747880403 MDWPIDXXLHXCOV-UHFFFAOYSA-N 417.462 0.430 30 20 HCED CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CCS(=O)(=O)C1 749653641 CVWOOJJLURAYTB-GJZGRUSLSA-N 414.528 0.467 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc([N+](=O)[O-])ccc2OCC)c1=O 758051244 UUCKHRYYIOXWCK-UHFFFAOYSA-N 412.427 0.099 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cn2cccc(C#N)c2=O)CC1 758183115 WEAYNXXIXWNOER-UHFFFAOYSA-N 417.447 0.901 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(O)CC2)cc1 760117205 FSUSOOXXHNDZEP-LTGZKZEYSA-N 422.507 0.811 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 767728143 JIMFFMFLIXEDBF-UHFFFAOYSA-N 413.459 0.971 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)ccc1[N+](=O)[O-] 770655865 LVYATVOVTGXRRC-ZDUSSCGKSA-N 412.427 0.890 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OC(F)F)cc1 771896695 GQIVPMXBVGLSQK-UHFFFAOYSA-N 402.379 0.388 30 20 HCED CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(Cc4ccon4)c3=O)ccc21 774542195 AZDVBFIKKYDACQ-UHFFFAOYSA-N 417.450 0.882 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 781449526 OHTZBXORMXLOCM-KFNAQCHYSA-N 409.464 0.029 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 783547985 VCFSCMRFHUYLTD-JEJOPICUSA-N 419.503 0.507 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 784924200 DWJMFFAFROEBQN-UHFFFAOYSA-N 400.460 0.581 30 20 HCED 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C[C@H](NC=O)C(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810399838 WVQSJDPMTRLZGI-VDJHFDLDSA-N 411.462 0.934 30 20 HCED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CN(CCO)CCO)[C@@H]2c2cccnc2)C1 1812711773 CMKIBYOHKJXCQN-RXVVDRJESA-N 416.522 0.340 30 20 HCED N=C(N)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1814820691 GMCDIUJRTCADMC-VGWHPXNHSA-N 423.499 0.067 30 20 HCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)c3nccnc3C(N)=O)[nH]n2)CC1 1817111825 YQGMPVITFVWBBE-GFCCVEGCSA-N 408.422 0.908 30 20 HCED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]nnc3n2)n[nH]1 1817813336 VPFGVWSEILEKSW-LBPRGKRZSA-N 424.425 0.391 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cncn1)CC2 1819710108 PCRLLPFLEUYBEW-FZMZJTMJSA-N 404.496 0.920 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CCOC3)sc2C1 1827158774 HEIWXVLJGTVSAI-NTQVKLLNSA-N 404.492 0.950 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC)cc3)C2)C1 1831394087 WAVLKSNKVOOSNT-VGOFRKELSA-N 415.490 0.837 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1831419893 RIEAICABAADIMA-UWJYYQICSA-N 420.510 0.698 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671294 LKCVETCZJUICOR-NVXWUHKLSA-N 405.495 0.999 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833813547 MGAKESDXYWRGLS-UWJYYQICSA-N 418.494 0.428 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccco3)CCO2)C1 1833920594 RKBKSQHRLWYPIZ-FQEVSTJZSA-N 404.467 0.631 30 20 HCED Cc1nn(C)c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1F 1834030320 SUDNMLMKMJWTED-UHFFFAOYSA-N 419.457 0.141 30 20 HCED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1835055463 UVONQBJBWPYFOD-INIZCTEOSA-N 404.515 0.309 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]c5nccc4-5)C3)C2)CC1 1835341939 FGVLMTBHWGDHBO-NRFANRHFSA-N 409.446 0.888 30 20 HCED CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835349466 FDZAOTFPKFABEO-OAQYLSRUSA-N 404.511 0.478 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCC3)C2)C1 1835680166 DTKGAPKWZXWMHH-OAQYLSRUSA-N 406.527 0.915 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836315635 AQPSJYPIRBSTFP-UTKZUKDTSA-N 421.469 0.864 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1837403905 VZJMGCNHSUXMKZ-FIKGOQFSSA-N 411.543 0.356 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5cccnn5n4)CCO3)C2)CC1 1838422831 PSWYPJSJPRCVLI-FQEVSTJZSA-N 410.434 0.103 30 20 HCED Cc1ccn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838732426 QKGREGTXWUKHGF-FQEVSTJZSA-N 412.450 0.162 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(O)c1 1838890454 WIACMGUUTCPUIY-DJJJIMSYSA-N 410.492 0.789 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1839420484 LWYXMRWQXAFVCX-LJQANCHMSA-N 414.397 0.199 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1)C(F)(F)F 1839891905 GTMGPKNYGBHZOJ-QGZVFWFLSA-N 415.368 0.976 30 20 HCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840145407 GGJTUVYWFGOJLQ-QINHECLXSA-N 407.467 0.336 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)nc4sccn34)C2)C1 1840174095 HLMNDVCWEGSBSE-IBGZPJMESA-N 418.475 0.402 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)CCC1 1840813435 ZQQSCNBEMNLQJQ-FQEVSTJZSA-N 401.467 0.493 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cnc(O)nc2O)C3)c1 1844726046 METSCYMZSLDNKD-UHFFFAOYSA-N 409.402 0.899 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1)C2 1846561018 CSINYLMSYGRFIV-LJQANCHMSA-N 420.473 0.846 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)Cn3cc(C)c(O)nc3=O)C2)c1 1846970127 NZDIECODFVHNEH-UHFFFAOYSA-N 421.457 0.955 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 24758917 GHFCZZRBAYCLJM-AWEZNQCLSA-N 405.480 0.265 30 20 HCED COc1cc(OC)cc([C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2nccn2C)c1 409533545 FFIUCLDFKZXAQB-DLBZAZTESA-N 421.479 0.585 30 20 HCED COc1cc(OC)cc([C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)c2nccn2C)c1 409533556 FFIUCLDFKZXAQB-SJORKVTESA-N 421.479 0.585 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CC2CC2)cc1 439334491 XJIXNWFKNFCMRX-UHFFFAOYSA-N 408.480 0.702 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)nc1 441946528 BZIXZZAYVWOCIZ-OAHLLOKOSA-N 412.515 0.677 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)C2)cc1 442247373 ZYPLSUPQEKCHCZ-UHFFFAOYSA-N 418.406 0.573 30 20 HCED COc1ccc(S(=O)(=O)Nc2ncccc2C#N)cc1[C@@]1(C)NC(=O)NC1=O 443148936 YWKPNBNKAZOBBM-QGZVFWFLSA-N 401.404 0.817 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccn(CC(F)F)n2)CC1 444500647 BVDZROOQUMJRJM-UHFFFAOYSA-N 406.368 1.446 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCCN(c2ccccc2C#N)CC1 445840581 JDOHULHWOXLJTM-HNNXBMFYSA-N 416.507 0.697 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)Cc1c(C)nn(C)c1C 460585260 KNMGPCGQEPXAOG-CYBMUJFWSA-N 420.477 1.484 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)C1 464859945 YJLRVXOLYJJJFJ-CVEARBPZSA-N 400.483 0.660 30 20 HCED C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 465467606 APYDNPFRSTWUQR-QKPAOTATSA-N 410.478 0.949 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1 471463893 CFDGXNKFCMZKIC-YJBOKZPZSA-N 408.462 0.971 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCn3ncnn3)nnc12 473900118 FQZQRKJHRPRTFY-UHFFFAOYSA-N 411.451 0.125 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)cc1 481355289 QJSXZCUNYJCHPO-UHFFFAOYSA-N 415.537 0.695 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCC(O)(C(=O)OC)CC2)c(C#N)cn1CCOC 481452935 PMCBWEKJMQMTAZ-UHFFFAOYSA-N 422.438 0.715 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@]3(C#N)CC3(C)C)cc2)CC1 484897987 BBCRGZVLWMDFGE-LJQANCHMSA-N 404.492 0.961 30 20 HCED Cn1cc(-n2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2=O)cn1 486014009 XMBOSYGGCOMXTA-IBGZPJMESA-N 416.441 0.974 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)N(C)[C@H](C)c2ccccc2)C1=O 500217462 PACSZPCDBREEFQ-CQSZACIVSA-N 400.435 0.641 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)n1 508304199 HCTLVVNROIJLKS-UHFFFAOYSA-N 403.830 0.395 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 509602502 ITJDPCZCHMFJLF-CHWSQXEVSA-N 406.555 0.685 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H](O)C2CCOCC2)n1 513190308 SJPLAMZCAWXNHI-INIZCTEOSA-N 401.398 0.725 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCCO1 515325785 FMKGUARYGVTYOR-FGTMMUONSA-N 414.462 0.086 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1=O 520869288 WPEUVEXMRIWDNK-UHFFFAOYSA-N 420.510 0.893 30 20 HCED C=CCN(CC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 532719092 UWADSMNRTIYIDZ-CVEARBPZSA-N 406.570 0.477 30 20 HCED C=CCNC(=O)NC(=O)CN1C[C@@H](CC)N(CC(=O)NC(=O)NCC=C)C[C@H]1CC 533395154 LHVNNUSAJHKQEX-HZPDHXFCSA-N 422.530 0.185 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)n1 538069228 XTSIDRIPBPNYPJ-UHFFFAOYSA-N 410.500 0.284 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)C(=O)C2)cc1 544542911 QAHFZTAVTYIJKG-UHFFFAOYSA-N 408.480 0.122 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c(C)c1 548290047 JLPKFSAHENAIFH-OAHLLOKOSA-N 411.483 0.121 30 20 HCED COC(=O)[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 559439713 ATJUFUYWNVKPET-QGZVFWFLSA-N 401.444 0.737 30 20 HCED C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 561131574 SFXKYGYRZZTVBV-UKRRQHHQSA-N 422.482 0.285 30 20 HCED CCCCn1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(C)n1 574363235 PIBKAZWQBGLBCK-UHFFFAOYSA-N 400.487 0.876 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 579626897 KATWYLXCAOMESM-OCCSQVGLSA-N 404.452 0.033 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(CC(F)F)CC2)CC1 586838335 WFNYGDSAZDQBLR-UHFFFAOYSA-N 406.437 0.448 30 20 HCED Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)nc1 588127536 KUVFKYBSEPWCRQ-INIZCTEOSA-N 412.494 0.671 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCC(=O)Nc2cccc3c(O)nnc(O)c23)cc1 608890641 IOQLAWWABFPWCM-UHFFFAOYSA-N 420.385 0.397 30 20 HCED Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 609282602 AXLUBKYQVUGZMR-OAHLLOKOSA-N 402.476 0.874 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)CC2)c1 609940373 DCUCHFUDIKPPFQ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 610391842 VVVPROYROWCJHC-UHFFFAOYSA-N 408.524 0.523 30 20 HCED Cn1cc(C#N)c(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)n1 610560600 GLLKJWMTIPSXTL-UHFFFAOYSA-N 418.479 0.775 30 20 HCED COC[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610605213 QLXCAEPDSYMNNW-QGZVFWFLSA-N 406.508 0.502 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN([C@H]4CCC[C@@H]4O)CC3)n2)cc1 611365643 LYLKJBQHDLORSA-ROUUACIJSA-N 423.477 0.194 30 20 HCED N#C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 615824537 JSXAQUHFFXEIFW-FFSVYQOJSA-N 412.399 0.183 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C4CCN(C)CC4)C3)CC2)c1C#N 615952935 UQQZKHGEGPLMEO-QGZVFWFLSA-N 414.558 0.600 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 617181313 MKAZIRHGJVVLDI-HOCLYGCPSA-N 405.476 0.577 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 729281659 LONUAVLNIWHXAE-UHFFFAOYSA-N 418.519 0.025 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 743917713 MZJZHLCVEJSKLL-UHFFFAOYSA-N 404.536 0.734 30 20 HCED C[C@@H](CC(=O)OCC(=O)NC(=O)NC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 745498518 XMBOXEWHEYQZAN-JTQLQIEISA-N 408.436 0.035 30 20 HCED C#CCN1CCN(C(=O)CSc2nc3cc(S(N)(=O)=O)ccc3n2CC)CC1 748652144 SCBQXDXZIYAWKG-UHFFFAOYSA-N 421.548 0.573 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 751086102 OVOZEZVMJSXMGA-LBPRGKRZSA-N 405.473 0.464 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@@H](C#N)C1 754389041 MIXNQOYNGQXMAC-CUINURIISA-N 414.462 0.765 30 20 HCED C#CCOCCC(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 756307834 JPOICDIVROTKLY-UHFFFAOYSA-N 407.448 0.679 30 20 HCED N#Cc1ccc(N2CCN(CCCCO)CC2)nc1N1CCN(CCCCO)CC1 767229259 GSOMFKLPBFLAGC-UHFFFAOYSA-N 416.570 0.742 30 20 HCED CN(C)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 769169510 POTRDMMTISCDGR-UHFFFAOYSA-N 415.475 0.919 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2cc(=O)n3ccsc3n2)c1 769741112 CMQMVWSQBVDGPG-UHFFFAOYSA-N 404.429 0.649 30 20 HCED CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2cn(C)nc2C(=O)OCC)NC(=S)N1 769851991 FQZVXTFZJSYUHC-LBPRGKRZSA-N 406.464 0.912 30 20 HCED COc1cc(C)c(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771897713 QMTUWFGDPOHTIK-UHFFFAOYSA-N 410.452 0.112 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 774518558 MAHNTAWAEWXBIE-CQSZACIVSA-N 416.459 0.942 30 20 HCED 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HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833827351 KWMUSQZDLKEYOT-FQEVSTJZSA-N 402.451 0.486 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833842625 QMTNANKXVTUREL-FQEVSTJZSA-N 405.499 0.878 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccno1)CCO2 1834150678 GELMJNZBYAMSJQ-GUBFPNNNSA-N 405.455 0.216 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834410936 FWIUCYYOIDQAJG-JXFKEZNVSA-N 404.467 0.011 30 20 HCED Cc1noc(CC(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)n1 1834599869 VFQBMAYUDOIBCB-UHFFFAOYSA-N 400.483 0.796 30 20 HCED Cc1cc(C)nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1 1834937549 IVKURKJFAWAGGI-UHFFFAOYSA-N 412.490 0.972 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCCOC)CCO2 1835239664 JBZMBIMBZGAESO-HXUWFJFHSA-N 414.499 0.089 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835359773 HVQQADMHWBDYMI-NRFANRHFSA-N 412.446 0.941 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835592211 JUKOMRJQXAIIPH-BUBPSJRHSA-N 423.558 0.288 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)CC(N)=O)CC2)CC1 1836856166 SYVQMSIZMKYHLD-HZPDHXFCSA-N 407.511 0.535 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1837390593 BSCXLELIYYBQQE-CSODHUTKSA-N 422.478 0.343 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440658 RNLPONLHFKNZJM-BWBSXDKCSA-N 424.542 0.322 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1837440979 KAXWZUZHSREFOP-GUBFPNNNSA-N 421.523 0.685 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]n3)C2)C1 1837525872 QRFQYYULULUBCT-URNPZBAUSA-N 421.454 0.009 30 20 HCED CC(C)n1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n1 1838784220 XPNKKZWTNGAUTL-FQEVSTJZSA-N 401.467 0.838 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1 1839224834 ZQLXOYDUKSRCEB-MGPUTAFESA-N 419.482 0.656 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)n[nH]1 1839224961 ULBIANMJMLMXQI-MGPUTAFESA-N 421.498 0.843 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c(N(C)C)c(F)c3)C2)C1 1839809397 NSVRGDRTEKULSI-FQEVSTJZSA-N 407.417 0.734 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(OC)c(C)c(OC)c3)C2)C1 1839811187 LQFDFGMQTYFDMG-NRFANRHFSA-N 402.447 0.715 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1)C(F)(F)F 1839893594 DQUCHUCEMPYNCZ-KRWDZBQOSA-N 415.368 0.976 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1840162908 AEQAYUSYUWTOJI-YJYMSZOUSA-N 422.482 0.862 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)n1cncn1 1840419407 DNVNMHOISNJMEJ-HRAATJIYSA-N 424.461 0.481 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840422536 BRJVKIZIFLVGKF-HRAATJIYSA-N 416.478 0.855 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455173 DCQYXKPPEHOXLP-HXUWFJFHSA-N 401.467 0.415 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840497688 QDYJNQSRGJOETK-HRAATJIYSA-N 403.479 0.998 30 20 HCED COc1nn(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813406 XDLIXKBBVAEWOE-HXUWFJFHSA-N 417.466 0.193 30 20 HCED COC(=O)[C@@H](CC(=O)N1CC2(CCCN2C(=O)CC#N)C1)NC(=O)OC(C)(C)C 1842623840 IVPVCMMFDOOTHS-CYBMUJFWSA-N 408.455 0.560 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 409505909 ZUYYSVMVLYEFJW-HNNXBMFYSA-N 403.526 0.854 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 427678155 KKFZQZBIYYONMQ-QWHCGFSZSA-N 418.450 0.856 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 430415558 OTOKGZPARYVGPI-NSHGMRRFSA-N 420.554 0.629 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]3CN3CCCC3)n2)cc1 438715637 GTDAOMRAAQMQKW-GOSISDBHSA-N 407.478 1.223 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ncnc(-n4cccn4)c3N)CC2)cc1 439010901 RTAWBKLSVFZFPS-UHFFFAOYSA-N 410.463 0.627 30 20 HCED C=CCN(CC(=O)N(CCC(N)=O)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 440299885 ZYKNIZXTDRGTFT-HNNXBMFYSA-N 409.508 0.579 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)CC1 447914844 LSWVCFHTNHHADY-PGRDOPGGSA-N 419.570 0.973 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)NCCCCN2CCN(CCO)CC2)cn1 462086678 VWIAYXGHCFPPAZ-UHFFFAOYSA-N 412.498 0.651 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 462090007 BVVUFSQNPFCBMH-KRWDZBQOSA-N 424.509 1.512 30 20 HCED N#CCN1CCC(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 464970616 FCXCEFXASVZVCA-UHFFFAOYSA-N 409.468 0.615 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ncccc2OCCCC#N)CC1 466603634 DCLXPTZBAMJTNJ-UHFFFAOYSA-N 402.455 0.966 30 20 HCED CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 471187687 MVHHMODQRCTXER-UHFFFAOYSA-N 422.507 0.526 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cnn(C)c1 471599279 QCARNEOBQOTKAL-LEWJYISDSA-N 422.489 0.534 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 475471971 ORNOLBOVSAQADB-UHFFFAOYSA-N 413.496 0.983 30 20 HCED COCCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 475761533 RSCFLEUZKLPUJG-KRWDZBQOSA-N 422.507 0.322 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)cc1 479007774 UOORSVSRSUSVLG-CVEARBPZSA-N 423.491 0.591 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 481546307 RCCYCAOQBGJTQP-CJNGLKHVSA-N 412.471 0.916 30 20 HCED CC1C[C@H](C(=O)N=c2ccn(CCC#N)[nH]2)[C@@H](C(=O)N=c2ccn(CCC#N)[nH]2)C1 481776184 HCMHLZPAQCPUNN-HOTGVXAUSA-N 408.466 0.990 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 484678997 LQXRQZGJBYIOHY-UHFFFAOYSA-N 423.535 0.857 30 20 HCED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 485132180 KUNYESVNIACUDN-OAQYLSRUSA-N 411.462 0.932 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 487129208 FQPMPTIWQYPRGL-OLZOCXBDSA-N 409.464 0.046 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCO[C@@H]2C2CC2)CC1 494481763 HZQQSKVWHUIMSX-YLJYHZDGSA-N 418.519 0.548 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 495319214 LGYXZBZMCIBCKQ-LJQANCHMSA-N 421.457 0.876 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 497727144 WJNDBWNXNONMPQ-KRWDZBQOSA-N 422.493 0.121 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)Cc2noc(C)c2C#N)c1 499975752 HJEZLPYDSSDZBN-SNVBAGLBSA-N 405.436 0.449 30 20 HCED C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCOCC1 501139302 AUAIHAVUFOZWGS-INIZCTEOSA-N 421.523 0.295 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 501608800 RWZABJILJDIFPF-CQSZACIVSA-N 409.468 0.662 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)ccc1Cl 504019770 QWVLRRFNFIBQIJ-UHFFFAOYSA-N 403.891 0.771 30 20 HCED Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)nn1CCC#N 504311166 GSOPJUUUUOPAGS-UHFFFAOYSA-N 416.463 0.478 30 20 HCED Cc1noc(CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 504683142 CLNQKKBQETVRSN-UHFFFAOYSA-N 418.479 0.215 30 20 HCED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN(S(N)(=O)=O)CC3)c2C#N)C1 506116972 CJSRADNTFWXMIR-GFCCVEGCSA-N 411.553 0.894 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCC2(OCCO)CCOCC2)c1 506563018 RRTUVWBOLZJTFO-SFHVURJKSA-N 401.463 0.724 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1=O 520641133 ZGTNTDZKEZMZTI-UKRRQHHQSA-N 405.886 0.675 30 20 HCED COCC(=O)N1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 522121673 WHDFTEVLIFTHIT-UHFFFAOYSA-N 408.480 0.164 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccsc3)c2=O)cn1 523859543 UIAIYGJMHPTHME-UHFFFAOYSA-N 411.512 0.959 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)CC1 537285396 ODEVQPYIRLIWMJ-UHFFFAOYSA-N 420.473 0.938 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1C 542094039 QVGHHKDRQSYODM-UHFFFAOYSA-N 419.890 0.301 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)C1=O 544725156 ALJVIEWDLKLILK-LBPRGKRZSA-N 422.429 0.725 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccccc1Cn1cncn1 548370127 UNHQYMKKEGNSBT-UHFFFAOYSA-N 414.451 0.559 30 20 HCED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549702154 JVSYWSNYCUKDDL-GOEBONIOSA-N 401.475 0.287 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)n2)c(Cl)c1 554668312 WZOBQRDYMCPMDH-CHWSQXEVSA-N 414.853 1.496 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCOCC1 559553405 UQISATBCTKMSCX-GOSISDBHSA-N 414.510 0.075 30 20 HCED N#Cc1cncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 562235201 RAGBGRAZARIJOP-UHFFFAOYSA-N 409.449 0.170 30 20 HCED CC(C)(C#N)CCS(=O)(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 565451736 UEMQCOORKMXMSC-UHFFFAOYSA-N 420.479 0.707 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4[nH]c(O)nc4c3)CC2)cc1 566940847 ALKWNJZEOKUNAM-UHFFFAOYSA-N 412.431 0.682 30 20 HCED CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 568145571 BOLKIIVWFKEWGZ-MRXNPFEDSA-N 409.450 0.937 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 569276356 QBJQMHSDEPLKLK-SFHVURJKSA-N 400.479 0.965 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCn2cc(CO)nn2)cc1Br 572649302 JDGGLLVMNHZAON-UHFFFAOYSA-N 400.258 0.773 30 20 HCED CN1CCN(c2ccc(CNCCS(=O)(=O)c3ccc(C#N)cn3)cn2)CC1 581749009 ATIBEVZLYLCFOL-UHFFFAOYSA-N 400.508 0.664 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCCC3=O)CC2)c(Cl)c1 582433656 MDPLAAAAIBDMFU-UHFFFAOYSA-N 417.897 0.989 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1cccc(C#N)c1 587672940 FSQZNKMSZRYYLD-GJZGRUSLSA-N 418.461 0.910 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccnn1C 589212944 NUNJUYXDIHFBFK-KRWDZBQOSA-N 409.494 0.891 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 603890800 UYQHTMGSJJSIKB-HNNXBMFYSA-N 423.491 0.488 30 20 HCED N#CCn1c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc2ccccc21 609161917 WXJASYQMBPNXIL-UHFFFAOYSA-N 409.446 0.308 30 20 HCED CN(C)CCN1C[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1=O 610421398 WNUCMTBNSUXZLQ-IEBWSBKVSA-N 401.486 0.945 30 20 HCED N#CCOc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 727678770 DMRVVJWETCGLAF-CQSZACIVSA-N 404.448 0.371 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 728532254 QSYFNMKZLOFBRN-ZDUSSCGKSA-N 408.842 0.909 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1C 731204861 STBMDIJVSAURMF-UHFFFAOYSA-N 402.501 0.103 30 20 HCED CNC(=O)CNC(=S)NN=C(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 731927171 PLPCHKIRPOBMQS-UHFFFAOYSA-N 411.553 0.795 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733564327 IRXDBSKVPGITPO-LLVKDONJSA-N 418.431 0.841 30 20 HCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 742184327 SIFURJPVXPTCDK-VBKZILBWSA-N 401.442 0.944 30 20 HCED C[C@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745445527 MEESKVAXXDCJSA-WGSUBKMSSA-N 411.414 0.269 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747519592 XDXHQNRCAUQUET-QGZVFWFLSA-N 423.491 0.278 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1 747880677 XFVPERAGVLIIPJ-UHFFFAOYSA-N 400.508 0.994 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749291631 VHCAPIVHFXPOAX-NSHDSACASA-N 401.466 0.456 30 20 HCED COCc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ncn1 755555466 XKWHBGXCIRGZTK-DGCLKSJQSA-N 404.427 0.437 30 20 HCED CCOC(Cn1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nn1)OCC 757152255 RNUVKMNAUQJAPD-AWEZNQCLSA-N 414.470 0.690 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2F)c1=O 758082800 IECIDASEVNEYEH-UHFFFAOYSA-N 403.410 0.087 30 20 HCED COc1ccc(C[C@@H](C)C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 758130394 WHUZZUJMFIPEJD-LLVKDONJSA-N 412.443 0.375 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 762226639 WLNPRJOUBWUAJH-UHFFFAOYSA-N 420.487 0.856 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766053639 VCPGERKACVUPRI-UHFFFAOYSA-N 401.360 0.399 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc(S(N)(=O)=O)ccc2O)C1=O 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COC(=O)C[C@@H](NC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccc(OC)cc1OC 785185311 XQBUDSAUVIVIRH-OAHLLOKOSA-N 415.406 0.783 30 20 HCED N#Cc1cccc(OCCCOC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 786198861 VPIBEINQCUXHMT-UHFFFAOYSA-N 407.404 0.541 30 20 HCED C=CC[C@H](NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1)c1ccncc1 788070579 SVHZZIQPGFERGB-SFHVURJKSA-N 401.511 0.922 30 20 HCED CS(=O)(=O)N1CCC(CS(=O)(=O)Oc2ccc(C#N)cc2[N+](=O)[O-])CC1 790014796 XVSKPZRCQCRXRJ-UHFFFAOYSA-N 403.438 0.847 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 794648131 XMVIHIXFTFXHMA-OAHLLOKOSA-N 423.450 0.950 30 20 HCED CNC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)c1 797679852 JOVDMQAJMCZMNF-ZCXUNETKSA-N 401.423 0.768 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2ccc(Cl)nc2)CC1 800054770 IVDRVFQANIZCDT-UHFFFAOYSA-N 401.920 0.959 30 20 HCED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803516295 VREOPKNPBSBJTP-CABCVRRESA-N 406.508 0.437 30 20 HCED CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC(=O)NCC#N 804821060 WLEJIGWNUUSMCW-INDWDQIESA-N 410.521 0.454 30 20 HCED Cc1oc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1S(=O)(=O)N1CCCC1 813980129 ROJOZVGVVDOROG-UHFFFAOYSA-N 424.460 0.758 30 20 HCED Cc1cc(C#N)cnc1C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 815337328 IQMKLNIACRHXAW-UHFFFAOYSA-N 401.467 0.477 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCO)CC1 819916293 UFALWSDMOJBBQE-MRXNPFEDSA-N 408.524 0.420 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 880522012 PIXCKNOUGVUUHI-UHFFFAOYSA-N 409.471 0.827 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 916875944 WTNSTWVTMGCNAK-ZFWWWQNUSA-N 403.435 0.918 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 918238611 IWNPCMXVBWICPE-FJGOLAJPSA-N 408.480 0.733 30 20 HCED CC(C)NC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918249853 BCUYZDOCYYIDPJ-JCMHNJIXSA-N 423.495 0.079 30 20 HCED CC(=O)NCC(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1151065321 OSBHLVHCGAMHAH-KRWDZBQOSA-N 411.462 0.108 30 20 HCED CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOC1 1299795988 SZCOAMGLEQWFSP-OXJNMPFZSA-N 417.514 0.398 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCN(CC(N)=O)C(=O)C2)n1 1310469770 KUXBOFHQOZEWJG-UHFFFAOYSA-N 401.814 0.559 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1324516920 VYSYXWSDLAZEOA-UHFFFAOYSA-N 424.479 0.009 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1325130073 MHDVHKFBEGTJIA-CJNGLKHVSA-N 414.911 0.764 30 20 HCED CCc1noc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1499269349 CFQOGWPMWGXLJM-KBPBESRZSA-N 420.495 0.816 30 20 HCED CN(C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1516998366 KLAFTEKATZVYKC-HUUCEWRRSA-N 403.487 0.069 30 20 HCED CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCC2)c1 1519508951 JFJMQRCTZKABON-OAHLLOKOSA-N 417.491 0.992 30 20 HCED N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1712878775 RFBGGLMVRAMJKR-QGZVFWFLSA-N 407.434 0.404 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC1CC1 1744097332 RFCYTLYBWOOTOU-HNNXBMFYSA-N 403.487 0.451 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)c(C)n2n1 1777785466 ZKXRFUCCIVDLOL-FZKQIMNGSA-N 404.496 0.503 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)[C@@H]1C=CCN1 1777973266 DLMYXYZFRPAKEH-SBVLVFQFSA-N 420.510 0.557 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C3\C(=O)Nc4ccccc43)C2)C1 1778900525 YPVUBNVAKKBKRE-BZWSVIRISA-N 423.469 0.890 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100126 SJQVLEUJDOEEJV-ZHZPBERKSA-N 409.483 0.936 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105927 HSHXVUFRIBLLSL-MKQBEBPRSA-N 422.482 0.385 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)nc3Cl)C2)C1 1779420686 PYFUAEVOIRYNCK-QGZVFWFLSA-N 412.229 0.920 30 20 HCED Cn1ncc(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)c1Cl 1779861880 OGFRJRLZNPQWIB-VVJWVBNBSA-N 422.917 0.989 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c(C#N)c1 1781173867 FWHBTKRYCLCNOD-NRFANRHFSA-N 424.461 0.382 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)C(C)=O)CCO2 1781268019 GEJIPMKCHJDCSL-FOIQADDNSA-N 409.483 0.193 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782856427 SXJSMYSYYOOWEP-BTYIYWSLSA-N 414.462 0.085 30 20 HCED CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)[C@H](C)ON=C(C)C)CCO3)C2)CC1 1782916535 CWWFQNJCXNTZEV-KXBFYZLASA-N 409.483 0.961 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784114913 DFQWFMOKDRBGMR-HRAATJIYSA-N 401.463 0.510 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccn(C)c3=O)[C@H]2C1 1784728350 ILTZGHRNOPSYCK-HJWJTTGWSA-N 407.536 0.933 30 20 HCED Cc1nn[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1787188696 NDCXYEUTXKUOFF-BQFCYCMXSA-N 424.461 0.657 30 20 HCED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C[C@@H]21 1787408948 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CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc2ncccn2n1 1796958769 NDROMFGBPDDODM-APIJFGDWSA-N 415.454 0.128 30 20 HCED Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@@H]2CCCCO2)no1 1797818215 LUBYTVSJAFNVIQ-ALUNZNCISA-N 420.466 0.644 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1798615104 OMPCSGDYGSABOX-ZIVGKLJISA-N 406.483 0.844 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C(=O)c1ccccc1)C2 1800980456 KESFGCHVACJPQK-SCNOPHJPSA-N 405.520 0.667 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1 1803545905 QVIVLKYUWWGRBQ-WRWLIDTKSA-N 424.457 0.839 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H](CNC(=O)CNC(=N)N)[C@H]2c2cccnc2)cc1 1807059265 XTUVKNTXUIWNKL-IEBWSBKVSA-N 405.462 0.756 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)CC[C@@H](N)C(N)=O)[C@H]1c1cccnc1 1807192147 SYBAAWOYYSDDHG-BFYDXBDKSA-N 400.483 0.230 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)[C@H]1c1cccnc1 1808199715 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XZIKVQWAZYMPRX-REWPJTCUSA-N 424.501 0.475 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829636356 YBJHDRYKOURBRM-HRAATJIYSA-N 401.463 0.328 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216654 XGNPDDBDNGDOBR-KKSFZXQISA-N 405.495 0.161 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(C)C)no3)C2)C1 1831396223 CCMDRQCIIVNVNR-IERDGZPVSA-N 419.478 0.906 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1831397504 ZJSODBDQBQTBFL-IERDGZPVSA-N 418.494 0.091 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)s1)CCO2 1834059813 VGOUMZCPVBUKCH-QGZVFWFLSA-N 412.851 0.560 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CC[C@H](N)C(N)=O)CC2)CC1 1834736345 MLYPVHPOCVQNTB-YJBOKZPZSA-N 407.559 0.363 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)CC2)CC1 1835046655 BXKZWRVXCYTHJR-KRWDZBQOSA-N 422.526 0.077 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1835404725 LONYYTWAMXHSBD-KNQAVFIVSA-N 422.570 0.293 30 20 HCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835737428 TUMAMHCNBBYPPK-UHFFFAOYSA-N 422.599 0.592 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)CCO2 1836643639 HEQBGFIUBQFLTG-NFBKMPQASA-N 410.470 0.860 30 20 HCED Cc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561340 HTHJBZNGJCNBQN-JFOGYLRVSA-N 416.434 0.765 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838069893 QQTXTVPAGSZEJT-HXUWFJFHSA-N 411.418 0.371 30 20 HCED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906535 OGZZEBDKXNOAGK-NRFANRHFSA-N 409.446 0.676 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3)CCO2)C1 1838968365 BXZINEKITVAEDF-HRAATJIYSA-N 402.447 0.501 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839214947 OCLUSXWGIXWOSF-SPEDKVCISA-N 419.522 0.832 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839228533 GNUHUCSOWJBRGY-XAUMDUMWSA-N 411.499 0.859 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)c(O)c1)CCO2 1839473852 VNQWBFCXMWHWRF-HXUWFJFHSA-N 401.419 0.054 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1839809822 NDUYFBKGYBYNIM-TZIWHRDSSA-N 417.437 0.093 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1)C(F)(F)F 1839895382 ZDAUSHGZHGKHAX-KRWDZBQOSA-N 416.400 0.538 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840160095 WSRPWSULVNXRPB-KZULUSFZSA-N 405.480 0.346 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1840175087 KOYCSIPHYMXTST-NRFANRHFSA-N 411.462 0.913 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1840406861 ONRYRFVIHFHWLK-UTKZUKDTSA-N 415.494 0.903 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1840447807 GVXCGFLBUPBFBV-OAQYLSRUSA-N 424.461 0.310 30 20 HCED C=CCSCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841885031 AIKMUECYIYCAQI-UHFFFAOYSA-N 406.464 0.879 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n(C)n1 1842203267 FTNWQNMINIQUAF-PBGVMVHZSA-N 405.455 0.775 30 20 HCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1)C(=O)O 1845581527 ZMBHZAGBMMAATM-HNNXBMFYSA-N 410.434 0.314 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)N1CCOCC1 1847476431 AROVKFVMTYAOLR-BJLQDIEVSA-N 417.893 0.544 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1847806963 HXCIFQNATFOYDN-SZMVWBNQSA-N 415.494 0.780 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 15486947 UMWVYDWOLYUABO-UHFFFAOYSA-N 402.423 0.283 30 20 HCED N#Cc1ccccc1CSCCNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 43835888 LMPAHFGJUKZCKM-UHFFFAOYSA-N 415.519 0.924 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O 64023351 BFVVBMIMKGTWSY-UHFFFAOYSA-N 404.854 0.961 30 20 HCED COC(=O)[C@@H]1CCCN2C(=O)N([C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C(=O)[C@H]12 431597649 VMBOVEFDASFUJL-IKGGRYGDSA-N 410.430 0.875 30 20 HCED C[C@@H](C#N)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 432095051 AMHIRSGRBMBGFV-JOYOIKCWSA-N 406.386 0.646 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 441957745 OYQURWWKFUNXRJ-CYBMUJFWSA-N 401.513 0.813 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](O)[C@H]1C(=O)OC 445192674 JXVPGKCQRNXUHN-HOCLYGCPSA-N 405.407 0.047 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 462147538 IDBAPIUYCHZZKN-INIZCTEOSA-N 403.464 0.455 30 20 HCED N#Cc1ccc(F)c(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 464052286 JVNTYIDXERWVKW-UHFFFAOYSA-N 416.434 0.748 30 20 HCED C=CCN(CC(=O)NCc1ccccc1CN1CCOCC1)[C@H]1CCS(=O)(=O)C1 467137508 LHDRWKIUOQZCDX-FQEVSTJZSA-N 421.563 0.810 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)n(C)c1=O 468657459 GCUNHEULWFXYBT-XOBRGWDASA-N 414.466 0.278 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2S(=O)(=O)c2ccc(C#N)cc2OC)cn1 481244903 FCFTXWKHHSUBJC-OAHLLOKOSA-N 424.504 0.944 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)CS(=O)(=O)CC 481890234 IFEHDTHXOGVYNF-ZIAGYGMSSA-N 415.537 0.897 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 486966127 JVQXBUXDCKKGKT-MRXNPFEDSA-N 409.450 0.766 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 487761801 XXCSKYRWRZYPSZ-RDJZCZTQSA-N 408.524 0.434 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCCN3CCN(CCO)CC3)C2)nc1 489044416 RQBYYRDWZBZLSE-IBGZPJMESA-N 416.526 0.506 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 505864666 OXSKJIAJZCQJHG-GOSISDBHSA-N 405.524 0.572 30 20 HCED CS(=O)(=O)N(CC(=O)NC1(C#N)CCCCC1)CC(=O)NC1(C#N)CCCCC1 507421460 LUMZEFLPRMASDL-UHFFFAOYSA-N 423.539 0.933 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 510962131 NJZUDGUCPQHZKJ-HNNXBMFYSA-N 409.450 0.842 30 20 HCED O=C(NC[C@H]1CS(=O)(=O)CCO1)C(=O)Nc1ccccc1C#Cc1ccccc1 511441212 FHAWKUDYAJANHR-SFHVURJKSA-N 412.467 0.955 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)c(=O)n2C 511745611 RWSUUEOSZQGBRP-UHFFFAOYSA-N 422.380 0.269 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 516122818 BHCRGWGGIOUSNX-CRAIPNDOSA-N 407.492 0.520 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 517649288 DVENWLUHBQQMGW-OAHLLOKOSA-N 424.523 0.813 30 20 HCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 524281105 GRYKZHMEHADDJV-UHFFFAOYSA-N 407.426 0.920 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3nnc(N)cc3C2)CC1 538348704 BMNJDIFTXMTRAZ-IBGZPJMESA-N 409.469 0.965 30 20 HCED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 539352976 SLMPTQQOLHUELC-OAHLLOKOSA-N 408.470 0.543 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)C#N)CC2)c1 541019468 KYFXVZNRPUATAL-LLVKDONJSA-N 400.482 0.710 30 20 HCED CCOC(CNC(=O)Cc1noc(C)c1C#N)CNC(=O)Cc1noc(C)c1C#N 541154903 LPBFHQYSXQHXNZ-UHFFFAOYSA-N 414.422 0.446 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)C2)c(F)c1 545405967 SSKFRNRZAWSPSG-CJNGLKHVSA-N 400.414 0.612 30 20 HCED COC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCSCC1 548315658 PHYNICMVUYEKFY-LBPRGKRZSA-N 411.505 0.780 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 550102141 ZEUGPSZKQBAPHN-UHFFFAOYSA-N 404.448 0.952 30 20 HCED COCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 561482924 PSHMCJQGWDYFOJ-UHFFFAOYSA-N 402.270 0.800 30 20 HCED CCCNC(=O)CN1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 562883955 AHFXNMFJMMTJRY-UHFFFAOYSA-N 404.519 0.428 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)CC2 577072461 GUNBAETXMCPTEM-CQSZACIVSA-N 419.484 0.460 30 20 HCED CCO[C@H]1C[C@H](O)C12CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 580252208 QWSJUBMBTMASQF-IRXDYDNUSA-N 407.492 0.615 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 588056077 UOXITEJLOPEIKK-MJGOQNOKSA-N 409.490 0.770 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 588110128 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416.507 0.941 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 616695627 UBSGGFAGRVYZRI-UHFFFAOYSA-N 411.455 0.986 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCCc2ccc(F)cc2)C1=O 726042750 GDLLMEWZWHCTBC-LBPRGKRZSA-N 405.382 0.393 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1 731455124 DGJSYNXDNJINDU-UHFFFAOYSA-N 409.446 0.949 30 20 HCED CNC(=O)CNC(=S)NN=C1C(=O)Nc2c(Cl)cc(Br)cc21 735614956 IRIJMEQMRMYSFP-UHFFFAOYSA-N 404.677 0.969 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)C1=O 740150688 ZXCCYTNHZQRXHM-LBPRGKRZSA-N 423.809 0.238 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 743905305 RYWBZTHIMOWHKV-QGZVFWFLSA-N 418.469 0.835 30 20 HCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)c1 744121389 CFCVLUPBFIAXPU-UHFFFAOYSA-N 423.473 0.862 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2=O)cc1 745478884 OQZLCXVKTDMROL-DMHIMHRUSA-N 409.398 0.369 30 20 HCED 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CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 767676552 PSAARQLVJGCSMO-RHSMWYFYSA-N 423.491 0.652 30 20 HCED N#Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)cn2)ccc1N1CCC(O)CC1 769749065 XXAAGYMDRCFNHU-UHFFFAOYSA-N 401.448 0.814 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770841207 YTEJDTNQLFZLOI-ZMZPIMSZSA-N 424.816 0.718 30 20 HCED CN1C[C@H](COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 772767252 VVJWKPYEKNVYDA-OAHLLOKOSA-N 405.476 0.980 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1CCCO1 773791887 OTTUWIXGKJTAKE-HOTGVXAUSA-N 407.492 0.999 30 20 HCED C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 773912149 DJKMANBSGFNRGF-MMOSJZJFSA-N 408.480 0.685 30 20 HCED C[C@H](CC(=O)OCC(C)(C)S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 776577741 ZYWXBHWNCZSFSI-LLVKDONJSA-N 402.494 0.870 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)cn1 783453281 RTVANHQDSYBPOU-UHFFFAOYSA-N 405.212 0.863 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 785331047 GMPSVBKRKLKABZ-UHFFFAOYSA-N 401.354 0.238 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)Nc1ccccc1C#N 786370613 YZGZTQRVEOSRIM-XPXIOPGQSA-N 411.414 0.981 30 20 HCED CCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794595906 ORPUBGWEWZDPSG-HNNXBMFYSA-N 400.504 0.942 30 20 HCED CC1(C)NC(=O)N(CCCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1=O 795327647 QRYFNMMFGSDAQX-UHFFFAOYSA-N 408.436 0.100 30 20 HCED Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)NCC(=O)NCC#N)cc2)cc1 796217828 PDHMRVOHJJPFSI-UHFFFAOYSA-N 423.472 0.681 30 20 HCED C=CCN1CC[C@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2NCCO)C1=O 798572800 UJPXHWRLURTUPV-INIZCTEOSA-N 411.480 0.285 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 799288276 YAZWLFHUMQMREQ-QGZVFWFLSA-N 421.519 0.936 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCCO1 803399290 MNYPRRQHULJFCB-GBESFXJTSA-N 403.454 0.612 30 20 HCED 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HJDHUGVBIKYZQT-WNJRYGEDSA-N 410.467 0.457 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nccc(OC)c1OC)C2 1841054855 JUDRGDOBGSVWIB-SREVYHEPSA-N 414.462 0.774 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)C2(C#N)CC2)C3)C1 1845105031 AEAJGJHUTVQJJM-HUUCEWRRSA-N 418.494 0.721 30 20 HCED CN(CCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C(=O)OC(C)(C)C 1846197395 DACYRCFGDDHTQZ-UHFFFAOYSA-N 407.467 0.925 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)C(=O)N(C)C)C3)N(C(=O)OC(C)(C)C)C1 1846449029 GNAKGSQCMAMHKM-HNNXBMFYSA-N 420.510 0.844 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 15365056 KIFQAPZMGVFMJY-UHFFFAOYSA-N 410.477 0.858 30 20 HCED Cc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)[nH]1 31211467 YDEUAMJBMJKIBN-UHFFFAOYSA-N 415.475 0.334 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cnn(CC#N)c3)cc2)CC1 139672150 RRMGLEACQDVLRR-UHFFFAOYSA-N 416.463 0.512 30 20 HCED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H](C#N)c2ccccc2)CC1 216381728 RYJDGZZBLSRIFP-GOEBONIOSA-N 410.478 0.120 30 20 HCED CN(CC(=O)Nc1ccc(Cc2nn[nH]n2)cc1)S(=O)(=O)c1ccc(C#N)cc1 427087094 XAYAGXGDINTWOW-UHFFFAOYSA-N 411.447 0.921 30 20 HCED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCCS(N)(=O)=O)cc1F 429463417 BPSMYKCYEILXKO-UHFFFAOYSA-N 406.395 0.833 30 20 HCED COc1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)cc1-n1cnnn1 439618241 LPBZHYYEPSITCT-UHFFFAOYSA-N 406.406 0.947 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 445126491 SBTALIAPLFRSLK-UHFFFAOYSA-N 402.495 0.998 30 20 HCED Cc1ccc(-c2nc(-c3cn(C)c(=O)nc3O)no2)cc1S(=O)(=O)NCC#N 445439523 RNDVNKALWVNPGS-UHFFFAOYSA-N 402.392 0.313 30 20 HCED N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nncn2CCc2ccccn2)c1 447492847 XEQYYTAZGLEEAB-UHFFFAOYSA-N 410.459 0.878 30 20 HCED N#Cc1ccc(OC2CN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)C2)cc1 461739427 XSOIDTXXCKFXEO-HUUCEWRRSA-N 403.460 0.183 30 20 HCED C=CCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 467135561 BYKCFWBSCWIQAI-UHFFFAOYSA-N 408.524 0.986 30 20 HCED CCn1nc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C)c2=O)c2ccccc21 471975572 BHRJOSKNULVQLH-UHFFFAOYSA-N 411.487 0.082 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CC2)c1C#N 472014475 XYAADHQHKJOIGZ-UHFFFAOYSA-N 411.470 0.429 30 20 HCED CN(CC(=O)N1CCN(C2CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 474477094 ZLTDZBSWCFFSOR-UHFFFAOYSA-N 406.508 0.502 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCOc1ccc(C#N)cc1 476686285 IQDBYBVKHLEPEF-CYBMUJFWSA-N 416.459 0.519 30 20 HCED COc1cc(C(=O)NCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc(OC)c1OC 478319372 ZYFKDIIKACKDQN-AWEZNQCLSA-N 404.467 0.794 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 479915005 PVQCMJAKMMILAT-UGSOOPFHSA-N 412.471 0.664 30 20 HCED COc1c(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)nn1C 480042731 NKQDUDIFJBWJGX-QGZVFWFLSA-N 424.461 0.142 30 20 HCED CN(CC(=O)N1CCC(O[C@H]2CCOC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 480172530 NIZAJJUPTMFSJO-KRWDZBQOSA-N 407.492 0.975 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)C[C@H]1CCCO1 481814654 VLJUZIQEXFVJLE-DOTOQJQBSA-N 408.524 0.794 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C 483578140 HSJXXARNECDUBD-UHFFFAOYSA-N 424.461 0.519 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(-c2ccc(F)cc2)c1=O 489018526 VAXQCBXYGDBTNW-ZDUSSCGKSA-N 424.457 0.880 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1C 489195932 LKGMJQCWEOEBSJ-UHFFFAOYSA-N 408.483 0.651 30 20 HCED Cc1onc(CC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1C#N 499808789 FTQQAABVKFNROF-UHFFFAOYSA-N 410.390 0.916 30 20 HCED COC(=O)C1(NS(=O)(=O)c2cccc(Cl)c2C#N)CCS(=O)(=O)CC1 501483840 XATBUTIFROMCEM-UHFFFAOYSA-N 406.869 0.610 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 504755691 JRBFRDFBPZOVEF-INIZCTEOSA-N 406.464 0.150 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 504811316 UULZLJRIIZEUDA-AEFFLSMTSA-N 408.543 0.390 30 20 HCED CN(CC(=O)NCc1cccc(S(N)(=O)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 509022439 LNEBAKHHIKLMEW-UHFFFAOYSA-N 422.488 0.143 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1 511045526 SQALDOZFNLEXMN-UHFFFAOYSA-N 406.464 0.402 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 511233583 JYCBUPZEFPFDNU-KGLIPLIRSA-N 401.510 0.953 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1Cl 516426206 KRJLLEQTKYAPPB-UHFFFAOYSA-N 419.869 0.153 30 20 HCED Cc1nsc(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)nc3)CC2)c1C#N 519039891 UFWVAXMIDYMHLC-UHFFFAOYSA-N 420.520 0.931 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1Cc1ccon1 526082016 VCFAUPISQMHILF-UHFFFAOYSA-N 418.837 0.988 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 534402794 CSHRWGRKXGUZSR-UHFFFAOYSA-N 417.437 0.736 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 537248733 MULQJKROQNLTOT-GBESFXJTSA-N 418.469 0.797 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@H](OCCO)C3)n2)c(Cl)c1 548415633 VNQLIWPXNOAOJV-CQSZACIVSA-N 417.853 1.336 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3nc[nH]n3)CC2)cc1 552027762 AFEUZDGMPPGCJH-UHFFFAOYSA-N 402.480 0.826 30 20 HCED C=C(C)Cn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCNC(=O)C1 555253665 OUTDTXKOZVWDRV-UHFFFAOYSA-N 418.523 0.920 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn2ccnc12 556008950 KBIZMICJQPHXGX-CQSZACIVSA-N 404.434 0.980 30 20 HCED CN(C)C(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 558320523 OAAKZSVOSSFMAB-UHFFFAOYSA-N 400.460 0.855 30 20 HCED COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nn1 560068140 HUPUQSWVOKKRTA-UHFFFAOYSA-N 403.342 0.934 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2=CCN(C)CC2)cc1 561433463 YPDAFGADVPYHMK-UHFFFAOYSA-N 406.508 0.810 30 20 HCED CNS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 561946594 RGRXMVMAVJKVOW-UHFFFAOYSA-N 411.553 0.909 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 566390152 DAKUWWSOPAVJDP-OKILXGFUSA-N 422.507 0.731 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 570080208 WEPUUZVJQZJMFB-UHFFFAOYSA-N 421.523 0.192 30 20 HCED CCN1CCC(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 573030231 KUZFLYSABIHZJK-UHFFFAOYSA-N 401.515 0.097 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)n1 583663946 BMAAPZYVYOFTCE-UHFFFAOYSA-N 407.356 0.784 30 20 HCED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 584852603 LTKIVUPCZHXMDZ-GJZGRUSLSA-N 407.496 0.374 30 20 HCED CN(CC(=O)NC[C@H](O)COc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 603612788 CPIKFBQECAEUDR-INIZCTEOSA-N 403.460 0.735 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCO1 606093409 FBNOMKYNWQCXPR-HXUWFJFHSA-N 406.442 0.783 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCCN3CCC[C@H]3C(N)=O)CC2)c(F)c1 609355104 KXWCSERHHPDDQO-SFHVURJKSA-N 402.474 0.869 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1=O 610870075 OVFAQCQZSMNGOB-BBATYDOGSA-N 403.826 0.987 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(CN2C(=O)NC3(CCOCC3)C2=O)CC1 727820653 JFVRJANUMVHHFY-UHFFFAOYSA-N 400.439 0.604 30 20 HCED C=CCN1CCC(NC(=O)CSc2n[nH]c3nc(=NCC)nc(NCC)n23)CC1 729978698 SYCWYERPOYRIGL-UHFFFAOYSA-N 419.559 0.664 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(Cl)c1OC 730439227 DNSWPWQIDOSXIS-UHFFFAOYSA-N 404.835 0.092 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 731763922 FLULCWYMYMUHNT-UHFFFAOYSA-N 417.447 0.740 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 732785016 VOUKINDUTYLPHF-AWEZNQCLSA-N 417.409 0.833 30 20 HCED Cc1nc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccc(F)cc1 732911116 YGFGYBQNSGIELE-CQSZACIVSA-N 405.411 0.294 30 20 HCED Cc1ocnc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 733524914 IVCUZSUCCKDWLE-UHFFFAOYSA-N 418.431 0.545 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(-n4cccn4)c3)CC2)o1 740346016 LHJRMMMRDNUEHS-UHFFFAOYSA-N 421.417 0.941 30 20 HCED N#Cc1nnc2ccccc2c1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 747227680 VMKJNPDQPLJUPS-ZDUSSCGKSA-N 421.504 0.140 30 20 HCED C#CCN1CCN(C(=O)CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)CC1 748825339 SLEQTYOPTVVDEY-UHFFFAOYSA-N 416.547 0.611 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O 756396013 HQORXLKPEPYRPC-LBPRGKRZSA-N 407.329 0.590 30 20 HCED CCOC(=O)N1CCC(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 757376419 ZCCXANWXZUQGFI-CQSZACIVSA-N 422.511 0.809 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)CC1 761022722 CXLINLFPRRLPNN-UHFFFAOYSA-N 407.496 0.037 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cn(CCCCCC)c(=O)nc2O)CC1 769636576 BNLOIBNMMAYZMR-UHFFFAOYSA-N 424.523 0.679 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 771396484 HUHGEFGAAPSFCO-CYBMUJFWSA-N 409.468 0.575 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cnn(Cc2ccccc2)c1 771898554 ZMNLPPJHOSYFBT-UHFFFAOYSA-N 416.463 0.031 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H]1CCCO1 773797459 NGNUMTZVKFHKIN-HOCLYGCPSA-N 400.435 0.392 30 20 HCED C#CCCN1CCN(c2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])CC1 774528636 IJBHBZYZNBHQEX-UHFFFAOYSA-N 409.512 0.580 30 20 HCED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCNc1ncccc1C#N 780726381 JYNQEXNKGGSPHX-UHFFFAOYSA-N 409.493 0.594 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)cn2)cc1OC 781055785 PYFBSZOLNJFWDC-UHFFFAOYSA-N 404.448 0.955 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(I)cc1 783350472 MMXITZTZDHXGGI-UHFFFAOYSA-N 422.244 0.947 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 786114160 YAOJOBBTPROMKY-UHFFFAOYSA-N 416.413 0.332 30 20 HCED C#CCn1ccc(CN(CC)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1 788999328 VGBYQOKWLPPZJG-KRWDZBQOSA-N 411.528 0.536 30 20 HCED COC(=O)c1nn(C)c(C)c1/C=C\C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 792865142 BIPYOZUTVJIDIM-HJWRWDBZSA-N 421.431 0.774 30 20 HCED C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 800784014 SCSOFNURPWPGFG-CQSZACIVSA-N 412.450 0.295 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCN1Cc1ccccc1 804049930 GWFHZZLUNMBYJT-ZCNNSNEGSA-N 411.506 0.202 30 20 HCED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 804941486 VIKFWDLSSRHJJR-UHFFFAOYSA-N 416.521 0.753 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3cnccc3C#N)C2=O)cc1 805717406 ZLKNCZAFRNZNTI-HXUWFJFHSA-N 423.385 0.617 30 20 HCED CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)ncn1 806269246 GZHJJKRCTJKBLZ-KRWDZBQOSA-N 422.493 0.619 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1 807098375 XREMKAITDGMUCD-AWEZNQCLSA-N 409.574 0.679 30 20 HCED CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)C(=O)Nc2cnn(CC#N)c2)s1 807424683 ACTNTRNEVBMNJY-VHSXEESVSA-N 404.456 0.539 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@]2(COC)CCN(C(=O)OC(C)(C)C)C2)CC1 810344281 OBHPGRUMGJYDRP-OAQYLSRUSA-N 422.526 0.154 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(C(F)(F)F)cc1C)[C@@H]1CCS(=O)(=O)C1 810393889 ULLBIKYLPMLUNQ-LLVKDONJSA-N 403.382 0.996 30 20 HCED Cc1ncc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 815275755 DGIKHDRHLLIAHU-MRXNPFEDSA-N 400.416 0.871 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 815397395 TWPNNQBPXNQMRQ-UHFFFAOYSA-N 424.442 0.185 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NOCc1ccccc1 821699886 SYAQGEQUUVRGMF-UHFFFAOYSA-N 403.416 0.516 30 20 HCED CCNC(=O)COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 914500087 CIJXLULABNDONH-UHFFFAOYSA-N 416.459 0.879 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 916774294 NROSJDUHYGLAGO-INIZCTEOSA-N 415.406 0.622 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 917035243 PBEFYQCQAJVAIU-QGZVFWFLSA-N 407.492 0.734 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1CC(=O)NC1=O 999330415 GYBQCJCZEIPTHA-ZVZLPEGASA-N 404.467 0.158 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 1157761166 RRKOLLPLLCQYPH-AAEUAGOBSA-N 415.493 0.081 30 20 HCED Cn1c(=O)[nH]c(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c1=O 1162308420 VIHCSCLYBZRGLT-UHFFFAOYSA-N 403.464 0.458 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1337238994 KMDPMPCCYGPYOQ-GOEBONIOSA-N 402.469 0.853 30 20 HCED 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CC(=O)N1CCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)CC1 1749882994 KYUVYXAYFKTCBV-MRXNPFEDSA-N 416.530 0.274 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1767854856 TZNYCXZAHDDVEF-UHFFFAOYSA-N 403.512 0.943 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)cc3O)C2)C1 1780551470 XLKUBCFOOGXSPL-BTYIYWSLSA-N 402.447 0.883 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cncn2C)CCO3)c(C#N)c1 1781174658 RLHAKZHIGHLYDC-JOCHJYFZSA-N 423.473 0.987 30 20 HCED COc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nc1 1782010315 MORRTGRSHNNZPW-OXQOHEQNSA-N 401.419 0.306 30 20 HCED CCOC(=O)C1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)CC1 1782916533 CWWFQNJCXNTZEV-DNVCBOLYSA-N 409.483 0.961 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783173586 FGHULBDOHWGVOG-OSQAWULLSA-N 419.503 0.842 30 20 HCED COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1783215902 RATGDAVCDUMNNT-CQTDXNOFSA-N 423.466 0.299 30 20 HCED 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C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CNC(=O)OC)[C@@H]1c1cccnc1 1813263725 ZXJNZTMWGAGAPO-KYJSFNMBSA-N 402.451 0.482 30 20 HCED N#Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)[C@@H](N)CN)n[nH]2)ccc1F 1818015469 UEZDJCCHNFAWPR-DOTOQJQBSA-N 413.457 0.941 30 20 HCED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3NC(=O)NC3=O)[nH]n2)c1 1820305167 RRXOHLWNHMRFJF-UONOGXRCSA-N 424.421 0.513 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)COCCO)n[nH]1 1820922845 DGIHRTDSSVOYDH-OAHLLOKOSA-N 406.487 0.693 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCNC(C)=O)n[nH]1 1821975330 AZYOCSKNUNIQHY-PTZVLDCSSA-N 416.482 0.786 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CNC(N)=O)CC2 1822932454 PARWHIKFYQGWOO-JTQLQIEISA-N 409.468 0.233 30 20 HCED CCCNC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1831197523 QBKZBLCUOCNDPX-HXUWFJFHSA-N 406.483 0.053 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)C2)C1 1831432577 BGFVTPGLORNGHA-XFEYQPKCSA-N 408.520 0.909 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832671848 BNQMMRNQPWLKGA-AZUAARDMSA-N 423.535 0.871 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cn1 1833435741 DBMAVIPLIFYQQH-FZKQIMNGSA-N 410.496 0.264 30 20 HCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)CNC(=N)N)CC2)CC1 1834677894 CJZVNWYGOPIFKS-UHFFFAOYSA-N 400.474 0.252 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835192080 CJICFIVIHLKSPB-DYESRHJHSA-N 410.511 0.443 30 20 HCED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835230227 BWZVVDRIJRRJMG-NRFANRHFSA-N 408.495 0.178 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cn[nH]c5cn4)C3)C2)CC1 1835344466 GUKKEUWADWXESN-HXUWFJFHSA-N 410.434 0.332 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC#N)CCO2 1835365647 ORMMZARWOXTTRV-HXUWFJFHSA-N 424.498 0.661 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)CCN(C)C)CCO3)C2)c1 1835389488 TZIUTCDMSSTFCL-QFIPXVFZSA-N 414.506 0.888 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835656961 ZMPDBCJNMTTYHE-IBGZPJMESA-N 410.540 0.653 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1836028341 DGLIMQBVEZYBJH-FQEVSTJZSA-N 404.467 0.571 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837529892 GQYRWFQZNAZFGF-WHOFGVDJSA-N 421.494 0.775 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1837635414 OTSYFDDWZKMZOD-UHFFFAOYSA-N 424.461 0.615 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837655705 UFIHSFVCYNHHRV-HXUWFJFHSA-N 421.881 0.984 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837843741 LXPKNGOMDXQEQD-MRXNPFEDSA-N 409.531 0.041 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(O)[nH]3)CCO2)C1 1838067312 AGNGEPDKXXCRJL-MGPUTAFESA-N 404.467 0.954 30 20 HCED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186323 MZBQOEUQBPIAFD-NRFANRHFSA-N 419.453 0.733 30 20 HCED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)COC1 1839228190 VHTPIYYUOYILKP-UZLBHIALSA-N 411.499 0.670 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437037 BZJDANPNTJSLSQ-OAQYLSRUSA-N 411.462 0.913 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)cc1 1839722506 XFOCIYJHGXWFKG-QFIPXVFZSA-N 423.473 0.788 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)CC1 1839759180 DPQSRXJZIUMQGN-IBGZPJMESA-N 407.467 0.336 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1839784610 SAYYXQBXVLOFBG-BXWFABGCSA-N 414.524 0.232 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2 1839784611 SAYYXQBXVLOFBG-FCEWJHQRSA-N 414.524 0.232 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 1839808070 JHYVGQXUSYKUKQ-IBGZPJMESA-N 402.838 0.691 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1839840864 IPJUESMTAZSDMT-UTKZUKDTSA-N 420.510 0.812 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1840026970 CHNSGYXCXFORHP-BFUOFWGJSA-N 407.854 0.662 30 20 HCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C#N)CCC3)CCO2)C1)C(F)(F)F 1840812519 VQZNLFXDGAWOJT-RDJZCZTQSA-N 419.400 0.450 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c1 1841258343 JRHWSTWBXBMUHL-UHFFFAOYSA-N 409.446 0.246 30 20 HCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C1CC1 1841412025 AWPUYNOXFMIHDL-OAHLLOKOSA-N 419.478 0.971 30 20 HCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(OC)c2)C1)C(=O)O 1844725885 UXLHOEVTTMISFK-INIZCTEOSA-N 400.435 0.447 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1Cl 1844735294 BTYQBUXYKMDOBA-GOSISDBHSA-N 418.881 0.679 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)c1 1845522139 QHGJLOIUYYOFBZ-UHFFFAOYSA-N 417.429 0.729 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1846381480 SHVNPJNVERGHJW-HUWVGRHQSA-N 411.455 0.335 30 20 HCED Cn1c(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(C#N)c(=O)n(C)c1=O 24660406 IUCHIJDBKSEAQM-UHFFFAOYSA-N 407.434 0.328 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)cc1 27432295 LYBZQVGKLHKDFK-UHFFFAOYSA-N 423.539 0.756 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 410118111 UYZZGCGPXYBJNQ-UHFFFAOYSA-N 411.503 0.653 30 20 HCED C=CCN1CC[C@H](N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)C1=O 410310713 ONGZJKHCKXZPFI-KRWDZBQOSA-N 406.508 0.771 30 20 HCED COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(C#N)c(Br)c1 433081824 HWDXDIWMVWYDSU-UHFFFAOYSA-N 405.226 0.657 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1C#N 433881360 GCZJVSCISUUMPD-AWEZNQCLSA-N 404.434 0.980 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 435206608 MWHRADFEWWHOBD-CQSZACIVSA-N 406.464 0.532 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 437208800 LTDGWAMMDMSWOB-AWEZNQCLSA-N 424.504 0.959 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)C1=O 440266625 NXPCDQUHBCJHKG-MRXNPFEDSA-N 416.478 0.971 30 20 HCED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CC1 440385268 QPOXUIGPWOXJJV-UHFFFAOYSA-N 412.496 0.788 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H]4C[C@@H](N(C)C)CC[C@H]43)CC2)o1 441268807 QVZLVGSDUOPCAH-QXAKKESOSA-N 416.526 0.687 30 20 HCED C=CCNS(=O)(=O)c1ccc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)cc1 460654563 ZKHVCSDPARYROW-UHFFFAOYSA-N 400.482 0.985 30 20 HCED C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]2CCC[C@H]21 460936397 YKRXFKVOOWAAIV-OWCLPIDISA-N 411.528 0.945 30 20 HCED CCn1c(CCC(=O)N2CCOC[C@H]2C#N)nc2cc(S(=O)(=O)N(C)C)ccc21 461648145 QHSZMQCHTVFTSF-CQSZACIVSA-N 419.507 0.990 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 464126843 HINGMOQFKZDRHH-INIZCTEOSA-N 417.491 0.728 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 464853542 NHDXUMJAJSAWHK-ZDUSSCGKSA-N 419.445 0.723 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 465269630 ZDTBFHABJJNGEX-CQSZACIVSA-N 414.491 0.949 30 20 HCED COc1ncc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C(N)=O 475543937 BCWPWFKPMYHYGT-HNNXBMFYSA-N 422.401 0.904 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nncn2C)C1 480797388 FGEXDEAFMHERLU-UKRRQHHQSA-N 402.480 0.760 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 480959140 IQDCJJBBNIIWOW-UHFFFAOYSA-N 417.512 0.677 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 481436635 NOWXEYAVIOUUEA-WFASDCNBSA-N 411.505 0.403 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OC 481608651 WPXANNMPOXWXOH-OAHLLOKOSA-N 418.493 0.150 30 20 HCED Cn1cc([C@@H](CO)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 481737166 CZKQLTAVKLNPMV-GOSISDBHSA-N 417.491 0.542 30 20 HCED C[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCCOC2)O1 482965624 UMEVOKXNVWNIQD-KXBFYZLASA-N 407.492 0.975 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487161058 TXKXRHDPUBGVSK-KRWDZBQOSA-N 419.507 0.382 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CCO[C@H]2C2CC2)CC1 494481762 HZQQSKVWHUIMSX-XLIONFOSSA-N 418.519 0.548 30 20 HCED C=CCNC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1CC(F)(F)F 498275772 NHMNLPHHSVFUTN-UHFFFAOYSA-N 408.406 0.781 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COCc2ccc(Cl)cc2)c1=O 503700743 FZIPHMNBGWVQMF-MRXNPFEDSA-N 407.854 0.775 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)C1=O 519097330 DTPPQAKVFSHZTD-UHFFFAOYSA-N 408.436 0.290 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)[nH]c21 522177896 LUEGQOQJRKQBGX-OAHLLOKOSA-N 421.461 0.704 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1=O 522724585 ZWPXAKUEXUQZHO-UHFFFAOYSA-N 417.397 0.479 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 525313883 BAFPOTJNXMJYAC-UHFFFAOYSA-N 407.448 0.880 30 20 HCED COC(=O)CCc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 527338300 ZVXCCLFNCDOIIE-UHFFFAOYSA-N 412.450 0.999 30 20 HCED CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 533269618 WCUFBSVEQJPYSO-UHFFFAOYSA-N 408.480 0.136 30 20 HCED Cn1nc2c(cc1=O)CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CC2 540549514 OLHCFFFVEOBOQC-KRWDZBQOSA-N 412.519 0.609 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)n1 544868034 SKEKUGPUMOOCSE-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C[C@@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 546102971 WSSHWIDNVGLADM-IBGZPJMESA-N 406.508 0.238 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 551543432 UAEQWVRARMUVTM-UHFFFAOYSA-N 414.447 0.039 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 551544145 LZRHAYMKRCKBGS-UHFFFAOYSA-N 413.459 0.644 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CC1 554594947 WGLMWKZEFWQTKB-UHFFFAOYSA-N 407.430 0.968 30 20 HCED CN1CCN(c2ncccc2CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 557106520 PYTXPVRVIHELGC-UHFFFAOYSA-N 406.490 0.980 30 20 HCED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)Oc1ccc(F)cc1 565441412 BHADIHQKYFFJHM-GFCCVEGCSA-N 402.430 0.977 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 568919016 RXTVGZGBFNEVPO-HUUCEWRRSA-N 412.560 0.764 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2=O)cc1 571309669 LVLDOPDXECWKFU-OKYOBFRVSA-N 422.485 0.849 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 574207233 NPHJHJBLHQUVAA-OAHLLOKOSA-N 409.450 0.842 30 20 HCED C=CCN(Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 576904260 AFMZJEOOLCBLOM-UHFFFAOYSA-N 406.464 0.425 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C2CC2)O1 577773864 FQDWJZXBFDHWRK-ZMYBRWDISA-N 410.474 0.801 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 578430557 BZAHUSCUYVFTDU-UHFFFAOYSA-N 422.488 0.061 30 20 HCED COCCN(CCC#N)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCO1 589678657 UWRQBQQKOUZVJR-HUUCEWRRSA-N 414.532 0.824 30 20 HCED CC(=O)NCC(=O)NCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 604466122 ZMXJLEBXQTUESP-UHFFFAOYSA-N 404.477 0.893 30 20 HCED N#Cc1ccc(CCC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 609816554 DMKBETODBBCNHI-UHFFFAOYSA-N 406.508 0.648 30 20 HCED COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615628732 XFYOIAVMZRHHBG-IBGZPJMESA-N 404.398 0.712 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 682605245 ZEUGSDNCOPWYIQ-ZDUSSCGKSA-N 417.434 0.660 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 728570463 CVFFVLCEOOSQOS-IAGOWNOFSA-N 414.506 0.391 30 20 HCED COc1cccc([C@H](C#N)NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1OC 729433231 LAVLCMONOXTABH-ZDUSSCGKSA-N 411.418 0.588 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1=O 742887677 ZFZCDTXBKANMRT-ZDUSSCGKSA-N 408.455 0.821 30 20 HCED C[C@@H](CC(=O)OCc1nc(N)nc(N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 745494846 CEODDJVNIOYJRX-JTQLQIEISA-N 419.467 0.080 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)CC1 751376355 ZWKIQJBBLGKKST-UHFFFAOYSA-N 410.449 0.874 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 755041159 LGKXLJWZDRIACD-ZDUSSCGKSA-N 416.525 0.082 30 20 HCED C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)n1cccn1 757585669 AIFUMUDVWFURBN-RBSFLKMASA-N 404.471 0.778 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)c(F)c2)c1=O 758052328 CYDBRCUURWUNMT-UHFFFAOYSA-N 413.474 0.646 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnc(CC)s2)c1=O 758067324 HTBCMZHLNAHZOZ-UHFFFAOYSA-N 400.529 0.837 30 20 HCED C[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CN1CCN(C)CC1 758533714 FUTOAMRJBGOYOK-BRWVUGGUSA-N 408.547 0.928 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)CNC(=O)c2cccnc2)cc1 761504530 OLDGJAYDBZAUJA-AWEZNQCLSA-N 401.444 0.968 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccn(C)c3)c(=O)n2C2CC2)CC1 763452513 GSBFIMSPMYKMFL-UHFFFAOYSA-N 411.531 0.250 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 766638627 VRPMGHMTUBDMKF-MRXNPFEDSA-N 401.511 0.325 30 20 HCED 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411.422 0.318 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 504811319 UULZLJRIIZEUDA-WMZOPIPTSA-N 408.543 0.390 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 507909552 RRVSCWSYZLNFPA-UHFFFAOYSA-N 416.525 0.502 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(-n2cnnn2)cc1 509264949 SMNKXIJMZPSCSW-UHFFFAOYSA-N 416.423 0.750 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1 513985117 KRIUDVQHRGNUOI-NJSLBKSFSA-N 417.491 0.465 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 514440730 PNZWMXHTQJKXSK-UHFFFAOYSA-N 418.519 0.646 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 524453085 LEINUQDCOSXRHT-UHFFFAOYSA-N 414.491 0.674 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)n1 536975657 MSJLXXLPKNRFQJ-UHFFFAOYSA-N 404.452 0.369 30 20 HCED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)O1 540365187 IOCWYWWZVBOAFP-SMDDNHRTSA-N 410.377 0.850 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(Cl)c1C#N 546877556 LUXFSQODULDPIR-ZDUSSCGKSA-N 415.855 0.280 30 20 HCED CC(C)(C)c1csc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)c1C#N 556160203 TUXSBQHQOQNJBX-JTQLQIEISA-N 403.464 0.025 30 20 HCED COc1ccc(COCCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 560900771 LJBHORHOTYSGBM-UHFFFAOYSA-N 423.473 0.943 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 561940148 ZXWALAHOZINNNY-UHFFFAOYSA-N 410.482 0.678 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 564378153 KOGFAZPFJVMRLT-UHFFFAOYSA-N 400.460 0.611 30 20 HCED CNS(=O)(=O)c1cccc2c1CCN(CCS(=O)(=O)c1ccc(C#N)cn1)C2 565114403 JGFBIDHRGMVUNV-UHFFFAOYSA-N 420.516 0.693 30 20 HCED Cn1nnc2c1C[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 567087436 WDMPKVVULULKLB-HNNXBMFYSA-N 414.491 0.325 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(Sc3ccccc3)CC2)CC1 580425164 PQVQPVPCDNKPEO-UHFFFAOYSA-N 416.547 0.874 30 20 HCED Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1=O 586859672 DUMOMTPURRLQDR-MRXNPFEDSA-N 412.425 0.354 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1Cl 603957851 GCYJIQIARKODNR-UHFFFAOYSA-N 424.866 0.194 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1=O 610217395 CHEPJNPJHIFUQT-LBPRGKRZSA-N 401.398 0.034 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1=O 610679814 JESRYLMVVYHJDQ-VOJFVSQTSA-N 403.826 0.987 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@](F)(C#N)C1 615825528 LKQUOVYYHXNEIV-ZBFHGGJFSA-N 417.484 0.232 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 726042820 HCRLYQOEGYCRCA-NSHDSACASA-N 417.374 0.305 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)nc1 726962183 PGYMUGIIYHQMEN-UHFFFAOYSA-N 424.486 0.065 30 20 HCED CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 727013070 ONUHCSISUOTBBO-CZUORRHYSA-N 421.475 0.255 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 729249683 MOKDSJQBRPVSFN-UHFFFAOYSA-N 402.432 0.997 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCNS(C)(=O)=O 730599522 BJVJXFXKDGURTQ-ZDUSSCGKSA-N 417.509 0.376 30 20 HCED N#C[C@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(=O)N1CCS(=O)(=O)CC1 732908414 KLWLWZPYNPTDEO-BDVYOWHSSA-N 423.535 0.817 30 20 HCED COCCN(CC(=O)N(C)C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733163845 VWRCYXADSJDTQN-UHFFFAOYSA-N 410.496 0.069 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 737219286 WSRAVPHINMFBQW-DLBZAZTESA-N 401.467 0.912 30 20 HCED Cc1noc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 737255507 ZAPPRFGPNCUHAF-HMAPJEAMSA-N 420.451 0.446 30 20 HCED CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 747477011 PFLVAVBZIPBGFA-UHFFFAOYSA-N 415.475 0.707 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)c1 749665097 ODPWIXIIDPHMHN-ORIIVFLWSA-N 422.507 0.858 30 20 HCED C#CCNC(=O)[C@H](C)ON=C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 749787310 JWPFLOBAHUAFQS-AWEZNQCLSA-N 420.491 0.940 30 20 HCED CC(C)(NS(C)(=O)=O)C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 751696043 WEUGBPUAPLEDKE-UHFFFAOYSA-N 405.436 0.553 30 20 HCED COCCN(CCOC)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757895728 BXDMTTKNBSJHMX-AWEZNQCLSA-N 406.505 0.271 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccsc2)c1=O 758078200 JIQQOUZVZAVYLY-UHFFFAOYSA-N 401.513 0.650 30 20 HCED CCn1cc(C(=O)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 758859266 CUQOSGPINFVPLR-UHFFFAOYSA-N 400.395 0.146 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNC(=O)Cc2ccc(O)cc2)C1 765692453 RUZNODMNUINCCC-HOCLYGCPSA-N 402.451 0.926 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 769830953 SVAFBOHRXZYWCG-UHFFFAOYSA-N 417.399 0.747 30 20 HCED Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 770254912 VCWRXDOGWRNRCN-UHFFFAOYSA-N 409.450 0.660 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)O[C@@H](C#N)Cc1ccc(F)cc1F)c(=O)n2C 774303677 ZFYZUVQPMFGIMM-GFCCVEGCSA-N 403.345 0.390 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](O)CC2)cc1 774389807 FLAQTBGVIUJCCM-NGELMAJSSA-N 422.507 0.858 30 20 HCED C[C@H](CC(=O)NC[C@H]1COC2(CCOCC2)O1)/N=C1/NS(=O)(=O)c2ccccc21 777016473 MROCZSJEFYRYCD-KGLIPLIRSA-N 423.491 0.542 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1 777274170 HFRAVVDTFFZMCS-INIZCTEOSA-N 403.435 0.579 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 777425730 LXVQFORMXYSXLU-UKRRQHHQSA-N 409.464 0.263 30 20 HCED N#CCOc1cccc(CC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 779583126 HMLKMWLPLJKPND-SFHVURJKSA-N 407.492 0.784 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 780477820 DXRNWHPFZJKKBR-MRXNPFEDSA-N 400.454 0.381 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 783482319 WZZTYUNFPQPONH-MRXNPFEDSA-N 403.460 0.401 30 20 HCED C#CCn1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cn1 791264727 QDDICMNMMMJSBW-UHFFFAOYSA-N 402.476 0.776 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C(=O)NCCF 800598240 DOPOEWMFCHSQEJ-JSGCOSHPSA-N 412.487 0.874 30 20 HCED Cn1c(NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c(C#N)c(=O)n(C)c1=O 804700668 HAEBEYFEZMHBGB-OAQYLSRUSA-N 422.445 0.793 30 20 HCED CCOC(=O)CON=C(C(=O)N(CC)CC(=O)N1CCCCCC1)c1cc[nH]n1 804744666 PSDHLXTTYHUOLL-UHFFFAOYSA-N 407.471 0.945 30 20 HCED C#C[C@H](NC(=O)C(=O)N(CCCN1CCOCC1)Cc1ccncc1)[C@@H]1CCCO1 809314087 YBGISMYZRCWYPX-PMACEKPBSA-N 414.506 0.430 30 20 HCED Cn1ccnc1[C@@H](O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810655172 JPCKSYQFQAQFCA-SFHVURJKSA-N 417.491 0.542 30 20 HCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813982455 JVDNWTRMBOPAFY-PIGZYNQJSA-N 405.436 0.259 30 20 HCED CSc1nc(O)c(C(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1C#N 1137871762 ONYIFNXHNNNBOQ-UHFFFAOYSA-N 410.521 0.716 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC(=O)N(C)C)C1 1142055731 JRUQUXAPVFHVFE-ZFWWWQNUSA-N 407.496 0.487 30 20 HCED N#CC[C@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1171911810 YEMJBUHJWJZRLK-GOSISDBHSA-N 420.535 0.949 30 20 HCED COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1298155824 XJIWHEUDNLGBQY-LRDDRELGSA-N 402.432 0.651 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1301041019 IUUNCHFKEXJWDB-CQSZACIVSA-N 403.936 0.701 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)n1 1304750642 JZYMICMWCAYIMY-UHFFFAOYSA-N 412.498 0.739 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(C)(=O)=O 1305755808 OBBOYNMBVOJSLV-MRXNPFEDSA-N 400.480 0.683 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC2=O)cc1 1318074837 VGZVYDWODIXDIV-NSHDSACASA-N 412.324 0.842 30 20 HCED C=C[C@H](COC)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1320441434 GBFFQPUJXBPWPV-CHWSQXEVSA-N 400.453 0.927 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CCO1 1503772050 KVXFPSSQGKTTAG-GOSISDBHSA-N 420.477 0.858 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC2CC2)C1 1505312077 KNWMVBVXOYGOJA-LJQANCHMSA-N 412.429 0.894 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)CCO1 1521130608 YLPXMOGPYBMAGH-NWDGAFQWSA-N 402.377 0.927 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)nc1O 1617763237 RBDVOLSXHCMZOO-OAHLLOKOSA-N 411.418 0.007 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(CCC(=O)Nc2ccc(C#N)cc2)CC1 1617926864 XZICRXFNQTUZKB-UHFFFAOYSA-N 413.525 0.477 30 20 HCED CN1CC[C@@H](N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C1=O 1635006675 RONHYSFSIYMRPU-VQIMIIECSA-N 409.490 0.722 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1709902215 GONBYGLQHWVWSD-SFHVURJKSA-N 409.494 0.816 30 20 HCED COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730730250 XFCSUNQPZPLMDU-QGZVFWFLSA-N 418.546 0.171 30 20 HCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1749818238 MMWFZXFTMQAWBE-HRCADAONSA-N 401.471 0.216 30 20 HCED C=CCNC(=O)NC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1757297311 LHRZHMZYCVXKMF-NEXGVSGLSA-N 404.511 0.733 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(C)c2C)CCOC1 1767482827 LMYDPTPOKQCBMM-VQIMIIECSA-N 401.471 0.749 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1779065137 RVFSQHDWQJMPCU-JOCHJYFZSA-N 417.506 0.137 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779136439 LSLKCSYGPMFIMF-WHEDMDOKSA-N 414.418 0.648 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(=O)ccn3C)C2)C1 1780101672 KASABQPWTFSKFZ-UTKZUKDTSA-N 403.479 0.402 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OCC)C2 1781742222 OEKICIUBDPSYPF-RNKNFESXSA-N 411.499 0.777 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cnnn1 1781791172 ACUMDHCNLGXYAB-QRWLVFNGSA-N 409.450 0.444 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783442123 ZVHLORWLBHARNR-VWNGAAMTSA-N 404.463 0.198 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/c1ccc(O)cc1Cl)CCO2 1783567467 QVROKLXHZDSFHY-ZFDYTMOGSA-N 418.833 0.977 30 20 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CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CC)C[C@@H](C)C#N 409556708 YVUDWRRUDBOWTD-JKSUJKDBSA-N 408.590 0.544 30 20 HCED CN1CCC(N2CCC(CCN(C)c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)CC1 431829310 WQBDKWABWFIMAD-UHFFFAOYSA-N 402.543 0.588 30 20 HCED C=CCNc1ncc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)s1 433213255 CMOXTXRVLSTROF-UHFFFAOYSA-N 415.523 1.330 30 20 HCED CCn1cncc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433626059 PCEFRLUWLBBMOV-UHFFFAOYSA-N 409.493 0.470 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c1 437322585 ISWZNSBIJOVQQN-AWEZNQCLSA-N 424.504 0.959 30 20 HCED N#CCN1CCC(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 444083499 PVKGVFBICABGRN-AEFFLSMTSA-N 424.498 0.301 30 20 HCED Cc1cc(NC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)nn1CCC#N 446480024 NLBVDYAPUCSYDM-UHFFFAOYSA-N 419.467 1.165 30 20 HCED COc1cc(OC)c(OC)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446527853 RZCIDPBTTAOHQM-UHFFFAOYSA-N 420.466 0.725 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCNc1ccccn1 460612459 YTCMDEGVBPTVPQ-UHFFFAOYSA-N 404.434 1.399 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)cn1 460614566 OXQQWVVJEGRYIN-UHFFFAOYSA-N 416.445 0.817 30 20 HCED N#Cc1ccc(OC2CN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)C2)cc1 461739853 HCKWNPGWKMFKTN-UHFFFAOYSA-N 406.402 1.544 30 20 HCED N#CCSCCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 467151683 XUAGHWSIZBDUJJ-UHFFFAOYSA-N 410.521 0.971 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 479928733 SIIKFUNYPUXQDQ-GGPKGHCWSA-N 415.538 0.806 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 480132255 FGDNVSYTXPDZIV-AWEZNQCLSA-N 406.508 0.942 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 480996988 GWMLNCBUIVIGQT-CYBMUJFWSA-N 407.496 0.786 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCOc2ccc(C(F)(F)F)cn2)C1=O 482785011 GRXGZOQJNRKAQA-UHFFFAOYSA-N 414.340 0.962 30 20 HCED CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 482863369 UASCHLZHEASIAF-WMLDXEAASA-N 422.507 0.225 30 20 HCED C=CCN([C@@H](C)C(=O)N1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(OC)cc1 494061815 ZLFMVXJQDHCERL-HNNXBMFYSA-N 409.508 0.951 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccco1 495760156 AOAFZTWOLHKHBQ-OAHLLOKOSA-N 400.439 0.346 30 20 HCED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 508570896 MHUJRUPRIRTQJK-UHFFFAOYSA-N 423.477 0.537 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 512435031 DLKCZIWOFYMLOV-QZTJIDSGSA-N 405.524 0.830 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 517916613 VMLBAKCVBGGCBN-CQSZACIVSA-N 409.487 0.953 30 20 HCED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 518261567 LENVFFOTYDZEMM-HNNXBMFYSA-N 400.487 0.735 30 20 HCED CN(CC(=O)N1CCN(CC2CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 522889703 JYUDQXVHBLZQAK-UHFFFAOYSA-N 420.535 0.750 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3)n2)cc1 531167683 QSQPXXHEXWTJBR-CQSZACIVSA-N 421.383 0.889 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 531784543 QDCSJQDBKJODMU-HNNXBMFYSA-N 413.478 0.660 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)Nc1ccccn1 532467158 GLTVGEMRWBGWGY-ZDUSSCGKSA-N 401.448 0.765 30 20 HCED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 537130924 HADLLXLJDTZANG-GOEBONIOSA-N 408.480 0.244 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 541415282 UOHCYZLEXVBWRK-KRWDZBQOSA-N 419.434 0.294 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 549687506 FJOHZUSQXQYAAC-UHFFFAOYSA-N 410.544 0.998 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2 550338695 IFNSSEDOTSETSE-FQEVSTJZSA-N 418.501 0.975 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 551154444 SHPWUWYVRAJKBD-UHFFFAOYSA-N 423.473 0.943 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 554153696 FVVDEECOUOJIKK-HIFRSBDPSA-N 424.498 0.674 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1nnc2n1CCCCC2 559499260 CTTXQCHLYMLIHI-OAHLLOKOSA-N 422.493 0.797 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(N3CCCC3)CCOCC2)cc1 581102436 LBYJVBJMJHCJSO-UHFFFAOYSA-N 406.508 0.598 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCOC4(CCC4)C3)C2=O)cc1 582628387 LKTZLTQLIHMIMJ-MSOLQXFVSA-N 410.474 0.993 30 20 HCED CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 584308204 VIZWGKXMEUSMKY-ZIAGYGMSSA-N 417.514 0.454 30 20 HCED CCOCCOCCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 588865939 BKDMFZVOCAPQOE-GOSISDBHSA-N 416.478 0.681 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C 590981767 VSQSJFLBWDQZDO-UHFFFAOYSA-N 417.487 0.502 30 20 HCED Cc1nn(-c2ccccc2)c(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C#N 611347448 BXMYWGWZDGDKOL-OAHLLOKOSA-N 401.492 0.788 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 619488851 HXCCOGJZROWWET-UHFFFAOYSA-N 415.537 0.814 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2)CC1 728533799 AFUMUJTZDWNAHB-UHFFFAOYSA-N 411.243 0.798 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 732074070 QTGWZWDBNQMSJW-KRWDZBQOSA-N 402.495 0.817 30 20 HCED COC(=O)c1c(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n[nH]c1C 732216064 OYMRUCPRBBNPPR-UHFFFAOYSA-N 403.464 0.883 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CC1 732797148 MQKHZEQDKQLGFA-UHFFFAOYSA-N 401.492 0.288 30 20 HCED CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 741096811 AIWHQJNUXOCAEY-SSPLZPMDSA-N 410.496 0.571 30 20 HCED COC(=O)c1sccc1NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741344916 SWUVTMCAQCZSRH-PEZBUJJGSA-N 407.404 0.933 30 20 HCED CN(C(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 748745555 QADHVBRYYKTFPR-AWEZNQCLSA-N 422.532 0.638 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)ccc1F 751430403 KMDWTUIVAWFZPY-HNNXBMFYSA-N 415.487 0.055 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2cc(C#N)cn2C)c(O)nc1=O 751724732 OQVBBZWLXPEYDF-UHFFFAOYSA-N 416.438 0.751 30 20 HCED COCCc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)n1 755548162 CJTOTLPIFCSIPG-OCCSQVGLSA-N 420.470 0.423 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 756890392 JLVRWDYLYLVYIZ-FNWIOWCISA-N 405.455 0.630 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758056561 WYFWYZOAIYWVIM-UHFFFAOYSA-N 416.484 0.932 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 758639540 FQWGCLZLZUUJRR-SWLSCSKDSA-N 419.467 0.700 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(CC#N)cc4)CC3)ncnc21 758676928 BYPDWFCAOBJSQI-UHFFFAOYSA-N 419.445 0.935 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760375944 OBKWJBDTGZPFLW-UHFFFAOYSA-N 406.895 0.552 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(S(C)(=O)=O)CC2)ccc1F 760951130 UWAKOLFFWRPCPW-UHFFFAOYSA-N 404.485 0.939 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 761030393 GXWMJCJEXXEVJF-AWEZNQCLSA-N 407.496 0.057 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763459679 BVXCUDMRDYCTIZ-UHFFFAOYSA-N 414.531 0.847 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)N2CCOCC2)cc1 765054373 FLGUTTHGIYQASU-ICFOKQHNSA-N 402.498 0.488 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(CC(F)(F)F)[C@H](C)C1)c1cc[nH]n1 772484112 WFFIYQCLFBFYIO-LLVKDONJSA-N 405.377 0.789 30 20 HCED C#C[C@H](NCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1CCCO1 775783517 BRJGLIUDAAEXES-OALUTQOASA-N 402.470 0.679 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br)C(=O)O 776589810 XUSVQNCARRTBPQ-LLVKDONJSA-N 424.294 0.998 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 783953099 UGOKGEITSNUCPW-UHFFFAOYSA-N 417.834 0.586 30 20 HCED C[C@@]1(c2cccc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)c2)NC(=O)NC1=O 784259970 OCYHZSIHJUKZTM-IBGZPJMESA-N 406.358 0.718 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCCO)C2CC2)cc1 784798807 CZNMCMXBQTUAEL-FXBPSFAMSA-N 422.507 0.811 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccccc1CN1CCOCC1 785444659 TZNIIBCACAJLCT-UHFFFAOYSA-N 422.489 0.630 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)nc1 787981170 WCWUARMOYOLXPA-IBGZPJMESA-N 422.489 0.671 30 20 HCED CCn1cc([C@@H](O)CN(Cc2ccccc2)c2c(C#N)c(=O)n(C)c(=O)n2C)cn1 790792902 XXIJWQNIDMTVHL-SFHVURJKSA-N 408.462 0.912 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)COc3ccccc3)CC2)c1C#N 793683232 BRFQETSZYAUEHM-OAHLLOKOSA-N 410.478 0.833 30 20 HCED COC(=O)c1occc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 794755412 LTNQWZVYLBSUME-UHFFFAOYSA-N 407.452 0.843 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)[C@H]1CCCO1 809313072 QKHUNDYSKZCCJX-LEWJYISDSA-N 418.582 0.938 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815518744 YVOPPJULITZTKS-UHFFFAOYSA-N 405.480 0.391 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(=O)NC)c2)c1 918354551 VNEHQDLBKLJAOD-UHFFFAOYSA-N 415.471 0.653 30 20 HCED CCOC(=O)CN1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 921076319 PWXRLVIEOTWNNO-UHFFFAOYSA-N 422.507 0.213 30 20 HCED CCc1nc(C#N)cc(N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H](OC)C2)n1 1043035998 CMNHGBKQEBSYTK-GNPUXRKISA-N 401.467 0.282 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1098019673 GHAWUJRKWXOUNU-UNMDQXAASA-N 402.495 0.287 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)NCC1(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1166279095 WCLHPXPVXFVEQQ-JHMPBIJASA-N 404.511 0.686 30 20 HCED CC(=O)NCC(=O)N1CCCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 1196799314 SHLZHGYACXUTJU-BQIYRTECSA-N 405.543 0.976 30 20 HCED Cc1cc(Br)sc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1213162647 YISONZOEASCWIF-UHFFFAOYSA-N 419.282 0.932 30 20 HCED CCNC(=O)CN1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1312478105 CGDBPUGVWJANEA-UHFFFAOYSA-N 409.494 0.922 30 20 HCED CCCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1313486340 BTWXBOJMEQGWAH-ZDUSSCGKSA-N 411.532 0.545 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n1 1318714695 VMPUQMSYKHONLV-DOTOQJQBSA-N 406.446 0.956 30 20 HCED CN(C)CCNC(=O)C1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 1324168082 FTCUFHFHMHBDPK-KRWDZBQOSA-N 424.505 0.901 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cc2nc3ncccn3n2)cc1OC 1342522236 UZQVBSXANZBJNW-AWEZNQCLSA-N 408.418 0.752 30 20 HCED C[C@H]1CCCN(C(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 1348085340 FQQWNRSHCUNATQ-LSDHHAIUSA-N 406.508 0.990 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCOCC2)C1 1469681502 JQCSRKWLNPDOHU-QGZVFWFLSA-N 420.535 0.827 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1630966343 NTLJGWAQEHHFNZ-LJQANCHMSA-N 402.476 0.836 30 20 HCED COc1ccc(CC(=O)N2CC[C@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1630966351 OBIDOLJVELDMMO-LJQANCHMSA-N 423.491 0.136 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c1 1638728140 QYVKKUHSMWHRHV-AWEZNQCLSA-N 419.484 0.524 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCC#N)c2)CC1 1658314103 MWKFGGHZPVLNRT-UHFFFAOYSA-N 415.497 0.711 30 20 HCED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1693091595 QAVGLFHPFRJSFN-GOEBONIOSA-N 404.496 0.974 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cccs2)cn1 1711251684 PXGGKLPFVGPQAP-AWEZNQCLSA-N 412.479 0.899 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1730762840 NCUAHEKCVQHUGD-AWEZNQCLSA-N 412.516 0.071 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)CCOC1 1765880302 QEGRXNBTUUXBRH-GBESFXJTSA-N 408.478 0.439 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1778886639 SSBUNFVVQUMCKR-HRAATJIYSA-N 401.463 0.510 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102406 HGYIFVPWIPRSTI-UMQMUVBQSA-N 419.482 0.999 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779181095 FLZKENBCCDGYGH-VWKPWSFCSA-N 415.494 0.637 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C)C2)C1 1779780019 QXZLQHRKFKBXQC-FQEVSTJZSA-N 402.451 0.738 30 20 HCED 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N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CO)o4)CCO3)C2)CCC1 1837972804 UPRJIYRONSFIDY-FQEVSTJZSA-N 403.435 0.536 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)S)CC2)CC1 1838358543 ZMJDOOBFACCDJY-WFASDCNBSA-N 417.528 0.368 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838653655 OFWSDKBSBCNCQX-HOTGVXAUSA-N 422.526 0.922 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838828269 LGEQXXOYSIMSLB-LJQANCHMSA-N 404.423 0.796 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1839174320 STCJBSVAPUSVGF-IBGZPJMESA-N 423.491 0.723 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839223181 ONGAMZYZAYUQPC-UZLBHIALSA-N 420.466 0.191 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839514459 NPKODXVCEONUDI-JOCHJYFZSA-N 424.457 0.819 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1)C(F)(F)F 1839722724 JBBHJCMCMOEZTO-MRXNPFEDSA-N 402.373 0.527 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)C2)C1 1839809597 AQHPZOGZTAYSJT-NRFANRHFSA-N 408.495 0.834 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840167505 UMQAKZUVFZXMSD-HXUWFJFHSA-N 402.451 0.359 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1840167925 VZSSDRDFDGJUSK-OAQYLSRUSA-N 401.463 0.969 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840175621 VXZALVRKBTWBRW-IBGZPJMESA-N 403.414 0.515 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCOC3)CCO2)C1 1840876393 RQRYEXJEJVGFMZ-WWMYMODYSA-N 410.511 0.443 30 20 HCED Cc1c(Br)c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)nn1C 1844810579 AHSHKRDAVDJJIN-UHFFFAOYSA-N 409.240 0.396 30 20 HCED CN(CC(=O)N1CCCC12CN(C(=O)CCc1ccc(C#N)cc1)C2)C(=O)C(=O)O 1845808607 MAIJZXGIRGKSLT-UHFFFAOYSA-N 412.446 0.237 30 20 HCED COc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c(F)c(OC)c1F 1846196535 LYIOJPWPIKMKJB-UHFFFAOYSA-N 408.357 0.887 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 105579786 GACXTAGFNYBYOS-QGZVFWFLSA-N 405.476 0.062 30 20 HCED N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)ccc1Cl 427282885 WBOQOXQGCMCXQJ-UHFFFAOYSA-N 404.857 0.598 30 20 HCED CC(C)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1=O 428154826 QJHYUCDZIKDNIZ-GJZGRUSLSA-N 406.508 0.940 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OC 435140511 UCWPSWKRAWODEL-GFCCVEGCSA-N 405.363 0.722 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)s2)c1 435485005 RUTXMXPDXXGMHA-UHFFFAOYSA-N 415.474 0.872 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(N)ns3)CC2)cc1 441524964 MHCGAWUVGZLAIE-UHFFFAOYSA-N 408.509 0.547 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 447890900 NGSWVWUYIFLNMA-ROUUACIJSA-N 414.462 0.434 30 20 HCED Cn1cnc2c1c(=O)n(CCCN1CCC[C@@]3(CCCCO3)[C@H]1C#N)c(=O)n2C 447919959 WGUNEVGTMYQQBN-QRWLVFNGSA-N 400.483 0.751 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)cn1 460584877 JPWRBLTYKREBNK-UHFFFAOYSA-N 419.401 0.655 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C#N)c2)c(=O)n1CC=C 461371259 LCSKECACSWYCNX-UHFFFAOYSA-N 406.467 0.781 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 464285503 VPTKTJSNVDWEIP-BDJLRTHQSA-N 404.423 0.707 30 20 HCED CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465255095 GVAFCLWFWZFLHS-AWEZNQCLSA-N 414.491 0.997 30 20 HCED N#C[C@H]1N(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[C@@]12CCCCO2 468664401 ZFJDSUADVRNWBQ-QAPCUYQASA-N 406.464 0.726 30 20 HCED CN1CCc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C1=O 472400464 APKOOAOQWKZTMI-UHFFFAOYSA-N 418.457 0.869 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(OC4COC4)cc3)CC2)c1C#N 472875623 IAJKXTCZOMUHHZ-UHFFFAOYSA-N 424.461 0.665 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)n1 477018486 JQYJHIMYSFNMTN-AWEZNQCLSA-N 414.487 0.039 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)cn1C 483528709 XHUDDUZVMULMSC-AWEZNQCLSA-N 416.507 0.934 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2sccc2C#N)C1=O 484667969 KCLMCJFKOIXLLY-KBPBESRZSA-N 410.521 0.350 30 20 HCED CN(C)CCCN(CCC#N)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 486768995 DYFDJSUZWMFQDM-LBPRGKRZSA-N 401.455 0.686 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3nccc(C)n3)cc2)CC1 491088638 YAEFWNINCDHJBX-UHFFFAOYSA-N 422.489 0.837 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)NC)ccc2Cl)CC1 491157109 UQKVXYMCDZGTRK-UHFFFAOYSA-N 421.885 0.085 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503160012 ZOYQSJJFDPBZGS-UHFFFAOYSA-N 411.462 1.000 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)c1C 506448670 RRMOUEXVYCDPEO-INIZCTEOSA-N 415.475 0.945 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCCOC1 511658844 MLMIJDQAZAATSM-JLJPHGGASA-N 423.491 0.700 30 20 HCED COCC1(O)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513546776 KWRFJMNKUMFXKU-UHFFFAOYSA-N 401.398 0.821 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)C[C@]12C(=O)Nc1ccccc12 514003178 INXRMEKULTZTMS-DMPWYTOCSA-N 424.505 0.629 30 20 HCED CCc1nn(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(=O)c(C#N)c1CC 517659482 QPFRCXKSOJCDPE-UHFFFAOYSA-N 414.466 0.221 30 20 HCED CN(C)S(=O)(=O)c1ccc2nnn(OCC(=O)NCc3ccc(C#N)cc3)c2c1 521763868 BFYOPKKSJMKRPG-UHFFFAOYSA-N 414.447 0.298 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N(C)CCCO)CC1 534727475 NANDJORDZMQLHZ-HNNXBMFYSA-N 408.524 0.530 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@@H]2C#N)c(OC)c1 536383302 QMTNBTQAOYCXKM-ZDUSSCGKSA-N 403.482 0.760 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 540023616 MEFCOBQDISZMDB-OAHLLOKOSA-N 408.480 0.081 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)CC1 541582022 JEZUWELDPXLPOG-CABCVRRESA-N 411.553 0.210 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3nnnn3C)CC2)c1 544377391 QZFFAJBHRPAZNG-UHFFFAOYSA-N 405.484 0.073 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)N3CCCC3)n(C)c1=O)OCO2 545367540 LGOWILUNRCPGAC-UHFFFAOYSA-N 413.455 0.310 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@H](C)C1=O 555044792 KYOOPAABKBRXFL-CQSZACIVSA-N 409.450 0.793 30 20 HCED N#Cc1ncn(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 557722405 KFSOBXHZNFNFEI-UHFFFAOYSA-N 407.412 0.191 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)nc1 559544964 AXUIOAJFMWFTIL-UHFFFAOYSA-N 413.459 0.861 30 20 HCED Cc1noc([C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCN2C)n1 565497178 LFWKPOGDMPHOSY-MRXNPFEDSA-N 418.479 0.386 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c1 574966787 YIKMJLIUYPAQKA-OAHLLOKOSA-N 413.459 0.262 30 20 HCED CN(CC(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 579538291 HBBIOCOJDUAVLW-JTDSTZFVSA-N 420.491 0.121 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCc2nnc3n2CCCC3)cc1 583294452 ISDCCIREDIWTQN-UHFFFAOYSA-N 402.480 0.513 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 608976980 VHHQZUUPPRRLAE-INIZCTEOSA-N 406.508 0.502 30 20 HCED N#CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)CC1 609341191 RCFVMLIXDAAMCP-UHFFFAOYSA-N 409.446 0.735 30 20 HCED N#C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCO1 729979302 DXOLPFULBZPNIB-KBPBESRZSA-N 405.432 0.375 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730621076 QSOYRRGLNWRYBI-TZMCWYRMSA-N 417.418 0.754 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 731127135 VHZCWFAFSHHWOC-UHFFFAOYSA-N 407.430 0.480 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)c2cccs2)cc1 731703241 WOWMPCLSADVTPU-UHFFFAOYSA-N 420.468 0.816 30 20 HCED NC(=O)[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1Cl 732467100 VMASJCOOIXJSMW-WMQDPJMESA-N 419.869 0.810 30 20 HCED N#C[C@H](C(=O)COc1cccc(N2CCCC2=O)c1)C(=O)N1CCS(=O)(=O)CC1 732909773 FUQQEOUGGJNDKO-MRXNPFEDSA-N 419.459 0.158 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CC2CCOCC2)CC1 736050482 YDXLGPBMSGLSBO-UHFFFAOYSA-N 406.508 0.296 30 20 HCED N#CCOc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 741790930 MCBMDCJKLYSMKG-KRWDZBQOSA-N 406.508 0.010 30 20 HCED CC(C)(C)OC(=O)NC1(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCC1 747117675 HAZIQBPCJOUENQ-CYBMUJFWSA-N 413.496 0.790 30 20 HCED C=CC[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccncc1 749724196 GABIERPHMNOSGO-OAHLLOKOSA-N 408.418 0.399 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2coc3ccccc23)c1=O 758048927 BDNSPQMBKMHHDK-UHFFFAOYSA-N 421.478 0.945 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)cc1 763719705 ZBWSTRYQJUQYPA-RBUKOAKNSA-N 405.520 0.971 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(C)=O)C3(CCCCC3)C2)c1=O 765704200 IAOLQDCYZPOYIN-UHFFFAOYSA-N 417.510 0.368 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)cc1Cl 766605864 PQXAOJQCYBJFOP-UHFFFAOYSA-N 422.919 0.447 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)ccc1C 772316592 STSWHHWQKLHACG-UHFFFAOYSA-N 403.485 0.298 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCN1C(=O)COc2ccccc21 778767126 YFNDVEZQVVUFIE-UHFFFAOYSA-N 415.427 0.805 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)CC1 784804489 SQXZHKNQGVHTCP-HNNXBMFYSA-N 403.458 0.951 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)c1 785319308 BYRQHOJDFIFSSP-MRXNPFEDSA-N 406.402 0.990 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 787754066 BAODHQJOSGQFNK-IBGZPJMESA-N 422.489 0.671 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCO1 787853193 XUARTZQSCVOTGU-LEWJYISDSA-N 412.534 0.608 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)n1 789789499 XAGINIFJOGZVNZ-UHFFFAOYSA-N 411.418 0.461 30 20 HCED CCn1c(=O)nc(O)c2c(C(=O)NS(=O)(=O)CC3(C#N)CC3)cc(C3CC3)nc21 793204268 GPIWSNHBCLUUHC-UHFFFAOYSA-N 417.447 0.758 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CC(=O)N3CCCC[C@H]23)CC1 799480034 DTNXPCGOFDXQJR-OAHLLOKOSA-N 406.512 0.570 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1)[C@H]1CCS(=O)(=O)C1 801553035 GJLRMSZEUYGLJW-QAPCUYQASA-N 405.524 0.499 30 20 HCED CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 807376329 UPSWBPBHIOQSLB-ZDUSSCGKSA-N 412.443 0.597 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1 808450606 PXJHHFHHMBISMY-YTQUADARSA-N 403.504 0.975 30 20 HCED CC#CCS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 810770698 PLOFDXNETAIRLL-MRXNPFEDSA-N 415.830 0.715 30 20 HCED COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)cc1 813984237 QWNUDTGEMQGZMQ-CYBMUJFWSA-N 400.416 0.820 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CC(C)(C)Oc3ccc(O)cc32)c(=O)n(C)c1=O 814883273 HPQBRZBBJMJVBE-UHFFFAOYSA-N 408.436 0.033 30 20 HCED N#CCSc1ccccc1NC(=O)COC(=O)C1CCN(S(N)(=O)=O)CC1 913214749 LXFQLPNIIJMYNT-UHFFFAOYSA-N 412.493 0.699 30 20 HCED COCCNC(=O)CN1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 917064739 IWFMOUMNDAEMCM-OAHLLOKOSA-N 415.519 0.853 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 918239852 JISSZMOZXJQZRW-UHFFFAOYSA-N 419.445 0.761 30 20 HCED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1137269009 YGEWLLUARQZXTA-ZWKOTPCHSA-N 411.462 0.616 30 20 HCED Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1298852763 PLXULRCOXKPQSN-GOSISDBHSA-N 404.496 0.573 30 20 HCED CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314537467 YMZAZISTKMMGHI-HOCLYGCPSA-N 408.528 0.393 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(CNC(=O)c2ccccn2)CC1 1319767138 PDOLNEIBIAUNPY-XUTLUUPISA-N 411.462 0.967 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1324072680 PGTRPUXSZLDZJI-VQIMIIECSA-N 419.507 0.521 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1359473028 VGUXPVNWGJBNMN-MGPQQGTHSA-N 409.516 0.249 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC(=O)N(C)C 1513410937 NQJGJPPBVLHREJ-OAHLLOKOSA-N 405.503 0.794 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552395695 XPMWNENRIVQJAT-OAHLLOKOSA-N 418.527 0.389 30 20 HCED CNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1554479647 QAXMYWUGYRIWRA-LLVKDONJSA-N 408.260 0.901 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@](O)(CC#N)C3)cc2)CC1 1557186949 HOFPBTPGPYXELR-IBGZPJMESA-N 420.491 0.030 30 20 HCED COc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2=O)c(OC)c1 1564723930 KNHJNQSYSMAGHG-UZLBHIALSA-N 402.451 0.865 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)CC1 1611772206 NPXVAXOCTKQCSI-OAHLLOKOSA-N 408.528 0.948 30 20 HCED CN(C)S(=O)(=O)N(C)CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1627616253 NUYDKKVVFIJOQP-UHFFFAOYSA-N 407.496 0.474 30 20 HCED Cc1ncccc1NC(=O)[C@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1638506706 XNYHOVRYUBDOIR-ZDUSSCGKSA-N 415.475 0.962 30 20 HCED 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CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766872315 SJCLORNPZZOCAI-HNNXBMFYSA-N 423.481 0.190 30 20 HCED Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c2cc(O)ccc2n1 1778430993 URUILNZNJLHXIH-JOCHJYFZSA-N 423.425 0.780 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778958624 VGBFBSISXDXJNW-CXAGYDPISA-N 402.442 0.735 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100340 URTLVNUDDNGZMV-FXYZYZMWSA-N 424.498 0.260 30 20 HCED C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779366202 XTGDAEZIWBYYPL-QEORTHCHSA-N 407.515 0.107 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961805 UTHHGHQSLDCXSR-YWZLYKJASA-N 414.466 0.974 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]nc2C)C1 1780144042 CJYIHZBALLZNCH-LRJKKDHCSA-N 415.494 0.704 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c(C#N)c1 1781174777 SQWSUXXKFQLIEC-NRFANRHFSA-N 409.446 0.976 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1781263859 GTDQRWKOJNVQRP-NRFANRHFSA-N 418.494 0.610 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN(C)C1)CCO2 1781269613 BXFNLNHXWFAFGI-UTKZUKDTSA-N 407.511 0.668 30 20 HCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1781337299 JKVCKTLHSZONFD-YWZLYKJASA-N 424.498 0.396 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782313865 KISKFRULTQCPGF-NRFANRHFSA-N 414.510 0.555 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1783053375 ZPSBXZCHSSRSCU-WMZOPIPTSA-N 407.264 0.946 30 20 HCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)C[C@@H]32)c1 1783911995 JYKXALSJPOTGBD-HAGHYFMRSA-N 424.501 0.749 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)Nc3cccnc3)C[C@@H]21 1784479503 DRKVMVNXHDGJSR-TXTPUJOMSA-N 414.506 0.900 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(C(C)C)n3)C[C@@H]21 1784483045 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TYKFVDCPVBYQKW-OAQYLSRUSA-N 417.462 0.431 30 20 HCED CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595058 FGGFZFJQJCNMKD-LJQANCHMSA-N 405.838 0.871 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(O)cc1[N+](=O)[O-])CCO2 1838601401 LNBBLXIZHLIJEI-IBGZPJMESA-N 419.390 0.012 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]c(=O)cn1)CCO2 1838642878 PNFQXSHDIZRAKN-HXUWFJFHSA-N 402.451 0.034 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)n[nH]4)C3)C2)c1 1838906038 MPHWXHCGQUYMAV-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 1839174244 OOSMYSIKSKREPT-IBGZPJMESA-N 423.491 0.723 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839679739 OSKIEVUOAZRSNS-TXPKVOOTSA-N 401.573 0.739 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)ncn3)C2)C1 1839839765 MDPPOSULBMBACL-VBKZILBWSA-N 418.450 0.457 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1839888425 LZODZKBGSXIWSY-KRWDZBQOSA-N 412.393 0.464 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839890684 NKIJWKAXAOEMOI-GOSISDBHSA-N 403.470 0.994 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840172174 XINUDDBPSWZISO-HTAPYJJXSA-N 419.522 0.810 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1840181603 FTMQEMOVBOQVDU-BEVDRBHNSA-N 412.483 0.271 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)no1 1840370254 PPWZNJKZGKCCEU-FQEVSTJZSA-N 402.451 0.676 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCc2ccco2)c1 16558013 NFNPKXHUUDDXML-UHFFFAOYSA-N 419.415 0.374 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(C#Cc3ccccn3)c2)n(C)c1=O 42622041 RVMZHQSOUVGXNQ-UHFFFAOYSA-N 414.425 0.867 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 51137015 KRJQHPDMZHDAIX-UHFFFAOYSA-N 412.475 0.655 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnnn3CC(F)(F)F)CC2)o1 60350130 KCKOUXKYMDHBEO-UHFFFAOYSA-N 416.389 0.844 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 410403587 LSHCAYDPODWGFP-INIZCTEOSA-N 423.605 0.697 30 20 HCED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 435054671 FAJYWIVBRYZVON-APWZRJJASA-N 400.479 0.637 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 441307360 YMGKWFQSSSJQBN-UHFFFAOYSA-N 412.425 1.148 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1F 441857346 VZOBTNXCOHAWBT-YPMHNXCESA-N 420.397 0.197 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 441954292 GPGNXRHFGCEKFT-GFCCVEGCSA-N 401.513 0.789 30 20 HCED C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)CN1CCOCC1 442024057 DTMUFDUKHRFSEG-LJQANCHMSA-N 406.508 0.830 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1C 442039403 BGDIBBAKGCOCBX-OAHLLOKOSA-N 421.417 0.062 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cn1 462096703 GDGPEGWCSZEZHE-UHFFFAOYSA-N 423.437 1.051 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 462741734 MLTYESTXBQBTOA-UHFFFAOYSA-N 416.507 0.829 30 20 HCED COC(=O)[C@H](CC(F)(F)F)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 463091992 GSKYAWYLTZDRJQ-LBPRGKRZSA-N 407.370 0.789 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCc1ccc(OCC(N)=O)cc1 464851102 JGQWTUGVZDCFIZ-OAHLLOKOSA-N 423.477 0.039 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)cc1 469626229 WTOFUMVEDBYKIV-LJQANCHMSA-N 423.491 0.450 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)COc2cccc(C)c2)CC1 476393977 SSIWSTVBFSYJJU-KRWDZBQOSA-N 402.495 0.325 30 20 HCED CC(=O)N[C@H](C)C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 477679648 JXYNUDOHYMEADW-CYBMUJFWSA-N 409.450 0.841 30 20 HCED CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 479074656 WUPAWZXODMHJFH-JKSUJKDBSA-N 423.491 0.748 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 479438922 NTQZULGKMCCVOE-UHFFFAOYSA-N 423.473 0.978 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486479038 BPFMFDDXNWEMPN-PXNSSMCTSA-N 412.538 0.984 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)C2)nc1 488369308 RJDJULYPAYPWBG-GOSISDBHSA-N 422.493 0.728 30 20 HCED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 488978205 KGVIENNUAYFIIA-AWEZNQCLSA-N 409.467 0.919 30 20 HCED CO[C@@H]1C[C@@H](c2nc(C)no2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 489828621 ICYNZQRYKOYPPW-ZBFHGGJFSA-N 419.463 0.859 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 499140965 ILFRENQMPXFZHH-UHFFFAOYSA-N 416.459 0.819 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 509298461 NXIIXCVUTYAVKV-LBPRGKRZSA-N 404.489 0.934 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Cn2ccnn2)CC1 511064703 OTMYTMBZVNCISI-AWEZNQCLSA-N 402.480 0.755 30 20 HCED CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)NCC#N)CC2)cc1 511903743 CMOHJFXUJAONEF-HNNXBMFYSA-N 421.523 0.856 30 20 HCED CCn1c(CCC(=O)N2CCO[C@@H](C#N)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 517986071 RLUXFABPCXLTKH-AWEZNQCLSA-N 419.507 0.990 30 20 HCED Cc1ccc(C(=O)NC[C@@H]2CCc3nnc(C)n3C2)cc1S(=O)(=O)NCC#N 522639182 YPJWAVKJRJSNBN-AWEZNQCLSA-N 402.480 0.689 30 20 HCED CCS(=O)(=O)NCCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 522742585 ZAXPDEMMZUAJDQ-UHFFFAOYSA-N 401.510 0.823 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(OC)nc1 525266122 XZDVCKMRSMIVTQ-UHFFFAOYSA-N 407.411 0.016 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)n(CCC#N)n1 533323409 LNVZQECKDSLLSG-LLVKDONJSA-N 400.361 0.713 30 20 HCED N#C[C@@H]1CSCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 537021002 YGBUERARSBFUNM-CYBMUJFWSA-N 417.534 0.337 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 539355586 HMLIXZALBKAYDQ-UHFFFAOYSA-N 400.464 0.741 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 539649228 HUYHDBZOEZDNRJ-UHFFFAOYSA-N 408.480 0.218 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 543757888 NTMZRUIESVROTK-FQEVSTJZSA-N 424.465 0.692 30 20 HCED CN1CCC(N2CCC(NC(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC2)CC1 543757954 YFZJHQRBLQGCOL-UHFFFAOYSA-N 402.547 0.996 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C(=O)NCc1ccco1 544201392 OAQBOWDSRNXHGO-ZDUSSCGKSA-N 414.418 0.936 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 544439913 FEXGFJFHHFXBSH-BBRMVZONSA-N 407.902 0.884 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](CC(N)=O)C2CCOCC2)CC1 544456194 GDXISRQSHXHMJL-IAGOWNOFSA-N 419.551 0.717 30 20 HCED COCCNc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 552883689 KHBWGUCIAGUJLE-UHFFFAOYSA-N 422.489 0.977 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 553733160 HHLIHRSJCCRDPP-MRXNPFEDSA-N 400.545 0.072 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 554066926 HUQAVWKHJGZTDR-HZPDHXFCSA-N 412.494 0.365 30 20 HCED C[C@@H]1CN(C(=O)c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cc2)C[C@@H](C)O1 554290780 WNDZDVMCQQCMRR-HUUCEWRRSA-N 411.466 0.899 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)c1 555982504 CACDDDUDCGXDOG-UHFFFAOYSA-N 419.489 0.913 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)C1=O 573404313 OKTOCRFYYRHOTJ-GOEBONIOSA-N 401.419 0.199 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)nn1 574931915 QUAJWZXQSDOTBU-KRWDZBQOSA-N 408.462 1.439 30 20 HCED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 581519769 ONRNDGJPQPXHCC-QFBILLFUSA-N 419.551 0.321 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 581914071 MSXRXDLWAFCCET-UHFFFAOYSA-N 421.454 0.929 30 20 HCED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 583939305 HWIGGVHLRLGHNF-AWEZNQCLSA-N 423.429 0.736 30 20 HCED CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)CC1 586859612 CQCYYZUYOPASPB-GOSISDBHSA-N 401.486 0.940 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(Cc3cccnc3)CC2)n1 589392973 SUGBBMZVWWIGLV-UHFFFAOYSA-N 416.445 0.817 30 20 HCED C=C1CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 594848080 NIQAPWQLANKPBM-INIZCTEOSA-N 400.522 0.947 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)C 603796359 OZBDXMIKZQFJRR-UHFFFAOYSA-N 400.504 0.617 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1CC(N)=O 608911116 KWOKUDYERGTJRG-UHFFFAOYSA-N 410.499 0.324 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 608911814 HPZFEHINYZFNIW-UHFFFAOYSA-N 404.879 0.078 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)n2)cc1 610699853 QRNDVVKSIBBIBR-DLBZAZTESA-N 410.434 0.543 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C#N)c2ccccc2Br)CC1 610739383 XGFFTUXSGPXOIX-AWEZNQCLSA-N 415.313 0.707 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnnc3C#N)cc2)C[C@@H](C)O1 612402235 UPOPWXDYVKDJRR-BETUJISGSA-N 404.452 0.586 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cn1 618880946 STUDPOICXMJEGK-QGZVFWFLSA-N 410.434 0.260 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCCO1 619863272 NMFBNBWPLFMLAZ-HEHGZKQESA-N 400.480 0.899 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCn3ccnn3)nnc12 679911632 LKMOSNFQBSCGPF-UHFFFAOYSA-N 410.463 0.730 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 685170035 ROODYKJWKNBBCP-WMLDXEAASA-N 411.462 0.911 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 728573850 XYCNQMRKBCKNJN-HNNXBMFYSA-N 421.339 0.993 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 729256704 DWIOTOJOAZLXFD-IBGZPJMESA-N 410.518 0.940 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)CC1 729281784 ONAXRJMNWFGXFK-HXUWFJFHSA-N 410.518 0.627 30 20 HCED COc1cccc([C@H](O)C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 732343586 CGYODZVXSBXERX-SFHVURJKSA-N 414.418 0.789 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732467283 TUFVNSRERAWHPL-VHEBQXMUSA-N 420.514 0.099 30 20 HCED COC(=O)Cc1csc(N(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 734130680 LQCNTIJLWGZSMV-UHFFFAOYSA-N 422.488 0.950 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741431911 UZLBOSUMBMZVNJ-CQSZACIVSA-N 410.448 0.483 30 20 HCED C[C@H](CC(=O)OCCn1ncc(C#N)c1N)/N=C1/NS(=O)(=O)c2ccccc21 744112197 SNTXGKCHUAEGBJ-LLVKDONJSA-N 402.436 0.397 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)c1 749158607 VPIQOOYHEBCSOL-UHFFFAOYSA-N 421.500 0.517 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@@H](C#N)C1 749521734 WOMJDNUMDUFROZ-AWEZNQCLSA-N 400.501 0.629 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](S(=O)(=O)NC)C3)ccc2c1=O 750515247 GMHZIMDMUWNANV-LBPRGKRZSA-N 408.505 0.635 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2C(N)=O)C1=O 751071523 HIRLCSLFJMXVIA-UHFFFAOYSA-N 413.434 0.691 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCNC1=O 753087368 RNGQXRLRGLPJPV-AWEZNQCLSA-N 406.508 0.928 30 20 HCED C[C@H](C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)n1cccn1 757585667 AIFUMUDVWFURBN-QLFBSQMISA-N 404.471 0.778 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 765658570 RJBWQIZFACDIHX-KGLIPLIRSA-N 421.548 0.861 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 770301358 JGKWXZQNPMVNIA-UHFFFAOYSA-N 424.479 0.038 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCc2nnnn2CC2CC2)cc1C#N 770787809 QVQOUEZSLZGNSK-UHFFFAOYSA-N 412.410 0.778 30 20 HCED C#CCNC(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771411913 MCFUJWGVJXVANN-KRWDZBQOSA-N 422.235 0.509 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCNC(=O)[C@@H]1c1cccs1)c1cc[nH]n1 772311552 OBRVRSCJAIHMES-HNNXBMFYSA-N 405.436 0.455 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Oc3cncc(Cl)n3)CC2)C1=O 777875300 TXIKPEQPYDLAJD-UHFFFAOYSA-N 407.814 0.477 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2ncn(C)c2=O)c1 778626316 FEJZGBOOMAQAHO-LTGZKZEYSA-N 420.495 0.814 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCC(NC(=O)C(C)(C)C)CC2)CC1 789935636 OWXGPZYVHRLTBE-UHFFFAOYSA-N 404.555 0.991 30 20 HCED CN(CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 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LONYYTWAMXHSBD-UGKGYDQZSA-N 422.570 0.293 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CC)CCC1)CCO2 1836731493 XCVHFEUAGPIKNK-ICTHTSFCSA-N 419.522 0.882 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1836843709 RFHDPMGQKKKSGC-AWEZNQCLSA-N 414.528 0.226 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440248 GSGYNDYIKZQNDE-ZGYKXIANSA-N 424.542 0.322 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799237 XNFGFUXSJSKLFL-SFHVURJKSA-N 405.411 0.191 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)c1 1838732873 DKGKPJUUGNELJN-HXUWFJFHSA-N 401.467 0.052 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1839222241 IAUAJECPQNZDMC-HLIPFELVSA-N 411.499 0.813 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839228813 PKQXMPSZUIQUSU-WNSDDWSPSA-N 409.483 0.136 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839840930 OEZCJJDYMMJRSX-MDKPJZGXSA-N 402.495 0.750 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4cccnc34)C2)C1 1840042897 UWUQLIRZHORWMX-JOCHJYFZSA-N 423.425 0.393 30 20 HCED Cc1nc(N)sc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840159936 RMARBFJBTRREHN-MEDUHNTESA-N 400.526 0.422 30 20 HCED Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cnn2c1 1840161343 LMYUJEOCDVWFDE-IFXJQAMLSA-N 419.507 0.426 30 20 HCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)OCC 1840282577 YBCLCVITKVPGCO-RDTXWAMCSA-N 404.529 0.550 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840564699 HLYREKVQVAJJBY-OAQYLSRUSA-N 423.558 0.065 30 20 HCED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)C1 1840568186 GZCBYFYUHKXOSE-JOCHJYFZSA-N 412.490 0.119 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840811724 UCPWATLBVFWWJH-JXFKEZNVSA-N 406.483 0.051 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)c(F)c3)C2)C1 1840841130 DTUBYCUNVRBFCE-HXUWFJFHSA-N 405.426 0.713 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CN4CCOCC4)C3)c2c1 1842826178 NUHHFXCPULSWAP-UHFFFAOYSA-N 408.462 0.584 30 20 HCED O=C(c1cc(O)nc(O)n1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300431 FXJURAJUEKWSMU-OMPOGXFXSA-N 405.411 0.234 30 20 HCED COc1ccc(OC)c(CCC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1 1846195251 UALZLKJKXXCOCQ-UHFFFAOYSA-N 400.431 0.928 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 55975185 OGCSKSHCFJSURJ-LLVKDONJSA-N 405.354 0.629 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 409508280 RBOVLQMQOWFFPK-UHFFFAOYSA-N 404.489 0.936 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2ccccc2Br)CCO1 410398858 SGGJFCMGHJTYQB-TZMCWYRMSA-N 418.313 0.659 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 431908450 BPWJYYCGTXILPU-GOSISDBHSA-N 414.480 0.843 30 20 HCED CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432854229 WZPNDWASALSDQV-UHFFFAOYSA-N 422.326 0.977 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 437788495 NZYPBOPRSHYRFM-UHFFFAOYSA-N 406.443 1.474 30 20 HCED C[C@@H](CO[C@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 441419023 SJZKNAIGACIYCV-RDJZCZTQSA-N 422.507 0.768 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCOC1 441945707 ACSMUTHBBBQOBF-HNNXBMFYSA-N 413.474 0.891 30 20 HCED COC(=O)COc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 442515530 WIJSPIHGSDTHSC-CQSZACIVSA-N 413.434 1.473 30 20 HCED CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1C 443368587 DRUBHUYJYCCFMI-MAUKXSAKSA-N 409.494 1.468 30 20 HCED CC(C)n1nc2c(c1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1)CCC2 446530206 KRPRTPBSLKIRTL-UHFFFAOYSA-N 402.499 0.966 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)cn1 460617439 DYFXSWYHASPESQ-OAHLLOKOSA-N 419.449 0.596 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461368988 YTEPPRJWULNCHG-UHFFFAOYSA-N 408.483 0.935 30 20 HCED C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)n1cnc(C#N)n1 467504297 SAYKNDQSCUPUGA-NSHDSACASA-N 406.424 0.076 30 20 HCED CS(=O)(=O)N1CCc2cc(C(=O)N(CCC#N)CCN3CCOCC3)ccc21 478248515 IRUWTCZIQUNWBB-UHFFFAOYSA-N 406.508 0.697 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 479765114 CCARREQOGCZIIV-LLVKDONJSA-N 408.461 0.511 30 20 HCED Cc1cc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)on1 479873375 GMZMVUWBLDAMAV-OAHLLOKOSA-N 417.491 0.866 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C)CC#N)CC2)cc1 481221458 WMAFFKOSNVNVQE-HNNXBMFYSA-N 422.507 0.727 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 484615738 FWRPLTIHRSJSGG-UHFFFAOYSA-N 411.480 0.307 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4)C2=O)cc1 488600990 OAQTWPYMDWJEOC-GOSISDBHSA-N 417.425 0.909 30 20 HCED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490279421 NWQGFXXFTAYNHW-RRQGHBQHSA-N 406.508 0.739 30 20 HCED CC[C@@H](C)[C@H](NC(=O)CNc1cccc(C#N)c1)C(=O)NCCN1CCOCC1 494999788 VNDPOTQNKUABCU-UZLBHIALSA-N 401.511 0.949 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 502951794 QSPLYRXUYOUMOC-VQTJNVASSA-N 412.534 0.960 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)nn1CCC#N 505068515 NBORWFYTTOFFMB-AWEZNQCLSA-N 404.496 0.610 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 508006390 QJOSQTDUOCRJKF-RNODOKPDSA-N 413.434 0.875 30 20 HCED Cn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508546944 YXMKFPMKXSBVAB-HNNXBMFYSA-N 418.479 0.286 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C 508775379 ZCKBJSYILOXDHD-GFCCVEGCSA-N 407.475 0.763 30 20 HCED C=CCn1c(-c2cccc3cccnc23)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 509002162 QHAUTNYOIRGDAD-OAHLLOKOSA-N 403.446 0.826 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)c1 516015897 QFULTMVEKJHRTR-UHFFFAOYSA-N 408.418 0.105 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)nc1 520436992 MPMHIFGSVKTJKL-CQSZACIVSA-N 415.431 0.219 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 522788288 HLMJPJXJMIQBJG-INIZCTEOSA-N 410.496 0.862 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1cccnc1 525266184 JLVQSJKBEJJSBL-UHFFFAOYSA-N 405.439 0.261 30 20 HCED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(Oc2cccc(C#N)c2)CC1 533287797 SBOVECUAAWDWFS-ZDUSSCGKSA-N 411.462 0.652 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n(CCC#N)n1 533459835 ICLQGZQKDYVOAU-OAHLLOKOSA-N 402.455 0.141 30 20 HCED C=CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H](C)c1cccc(-n2cnnn2)c1 537329997 RLIGBQXRMLYALS-ZDUSSCGKSA-N 416.467 0.282 30 20 HCED Cn1ncc2c1C[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 547379271 PJCIBFPTAGQRJE-INIZCTEOSA-N 413.503 0.930 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 558262070 WUPSTUBULZJSIZ-FDARSICLSA-N 418.519 0.988 30 20 HCED COCCOCCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 559480848 CBFXCBCUVAOXNF-QGZVFWFLSA-N 402.451 0.339 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)nc1 561103182 YVRKRUPQIMHNOS-CYBMUJFWSA-N 417.403 0.802 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)C2)c(F)c1 570433394 LBUPKFYPQGXZPB-HDMKZQKVSA-N 413.453 0.519 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 576783033 RFMYDSXGNPXYNZ-UHFFFAOYSA-N 409.508 0.665 30 20 HCED C[C@@]1(CCCO)CCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577415231 QIIARBITKZSGDC-AVRDEDQJSA-N 412.490 0.929 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 580363532 CMEACRCCFVPCLD-UHFFFAOYSA-N 411.466 0.223 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cnn(CCN3CCOCC3)c2)c1 582995594 IMKHUNFERXCYDP-UHFFFAOYSA-N 418.479 0.004 30 20 HCED COC1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 588645251 VCNLCYCKRAVOIQ-KRWDZBQOSA-N 414.462 0.482 30 20 HCED N#Cc1cc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1Cl 589427129 QNFQMHXVYTZNNL-UHFFFAOYSA-N 416.825 0.844 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@]1(C#N)CCSC1 603885777 HCFNBYLLLSCXIY-KRWDZBQOSA-N 411.505 0.845 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 609085673 KMEHJTMQGFETMW-UHFFFAOYSA-N 418.422 0.932 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CCN2C1=O 610707096 MXSZEACYCFBDJG-MRXNPFEDSA-N 411.466 0.600 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1 615315177 HGXQXCQMZQZPDH-HNNXBMFYSA-N 405.886 0.673 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 670741604 XRERGSKOJDKUFJ-SJORKVTESA-N 409.508 0.449 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 677462415 MPEJQDHTSOCYTH-GJZGRUSLSA-N 407.471 0.166 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 679119886 RYNHOTFARDMWIZ-IRXDYDNUSA-N 423.535 0.463 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3cnn(C)c3)c2=O)c1 726581475 XSFGMHDGWSWHLC-UHFFFAOYSA-N 415.478 0.419 30 20 HCED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 727010840 NUHDMNIOSSYNQS-OAHLLOKOSA-N 422.445 0.359 30 20 HCED COC(=O)c1coc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 729117158 FNLQXVZDXSSNFP-UHFFFAOYSA-N 406.372 0.642 30 20 HCED Cc1ccc(C(=O)NCc2nnc(S)n2C2CC2)cc1S(=O)(=O)NCC#N 731439871 MJCPNBBGIZYTDI-UHFFFAOYSA-N 406.493 0.942 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)Cc2ccccc2)CC1 732466612 PXMSNEKZBJHEJR-FMQUCBEESA-N 411.462 0.609 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(OCC(N)=O)c(OC)c2)c1 737246206 BRBSPHCGZGYGDJ-UHFFFAOYSA-N 411.414 0.826 30 20 HCED CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737304551 KKRMDNPQCDCAAM-QZMYASAMSA-N 424.523 0.961 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1=O 742158382 GQYSHXUSBXWVEZ-OAHLLOKOSA-N 421.498 0.442 30 20 HCED CCc1nsc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)n1 745814145 WQKJAGRBKHZUFU-CCEZHUSRSA-N 405.484 0.459 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 746264275 ARGLOYKHVDEAFV-CYBMUJFWSA-N 419.463 0.389 30 20 HCED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O 750967293 LJBXMPYRYLJJGP-OALUTQOASA-N 408.422 0.238 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753356292 AXHBKOHURYMJPO-UHFFFAOYSA-N 400.460 0.238 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@](O)(c1nccn1C)C(F)(F)F 757152240 VJCZHOYBZHPSIN-PXAZEXFGSA-N 423.399 0.959 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(Cl)cccc1[N+](=O)[O-] 758128066 CMWHENWJGIIVOH-UHFFFAOYSA-N 415.815 0.348 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(N)=O)c2=O)cn1 764997400 GINYFLQBJQGFOB-UHFFFAOYSA-N 421.482 0.306 30 20 HCED COC[C@H](O)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 766149724 QWYFUEXXMXTJEA-DYVFJYSZSA-N 405.451 0.907 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(=O)NC(C)(C)C 767678207 XAJWZFJCHYBWNS-NEPJUHHUSA-N 424.479 0.781 30 20 HCED C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 773131303 KOLWCMGUMSYMAV-QZTJIDSGSA-N 407.492 0.688 30 20 HCED C=C(C)CNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 778753747 WTIUPIDPKOZZMN-UHFFFAOYSA-N 416.450 0.992 30 20 HCED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)cc2)CC1 782129046 BJZHGOLYNDRSOX-UHFFFAOYSA-N 420.473 0.986 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3cc(C)ccn3)CC2)c1=O 782278456 RFKUEDCLNDGOCB-UHFFFAOYSA-N 413.478 0.748 30 20 HCED C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 783440612 JVNSHHFBTOGVSN-LXZKKBNFSA-N 405.476 0.762 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 785159836 NPIBLKDMHRLLOF-UHFFFAOYSA-N 409.464 0.184 30 20 HCED Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 787452290 GEKVRDIKVALRTG-UHFFFAOYSA-N 407.434 0.958 30 20 HCED C[C@@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(C#N)CCC1 787673033 UVMGYEJYKVFCAS-GFCCVEGCSA-N 424.435 0.757 30 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ALDYNRUUFQIUAJ-LJQANCHMSA-N 420.491 0.238 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1833463512 NOJCSJIIUYQLQC-OAHLLOKOSA-N 415.494 0.406 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)N(C)C)CC2)CC1 1833472873 JUGNUWXWLSRUGT-MRXNPFEDSA-N 423.558 0.420 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513091 LHHOVHLBYGYVMY-DLBZAZTESA-N 422.526 0.240 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833968043 DXDGQGVXADWAIN-GFCCVEGCSA-N 421.523 0.678 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOc3ccc(F)cc3)C2)C1 1834754198 YTSAPANCMZQRAJ-HXUWFJFHSA-N 405.426 0.965 30 20 HCED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834977553 MYEZOOHUPGBXPS-QFIPXVFZSA-N 415.490 0.984 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732450 AUMYDMZSQCQVHP-CJLVFECKSA-N 417.510 0.118 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836171215 GELHBIBBVKRIEL-CQSZACIVSA-N 414.510 0.596 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n[nH]1 1836280904 LRINDHLOHXBKHJ-FOIQADDNSA-N 421.498 0.843 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1837305656 FVTINUXXRUWAEQ-NQIIRXRSSA-N 410.511 0.874 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCC=CO3)CCO2)C1 1837410165 KJOCIOIDFQETFP-LAUBAEHRSA-N 420.510 0.417 30 20 HCED COc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1 1838512979 WXCMELXMCMJHOP-UHFFFAOYSA-N 416.434 0.185 30 20 HCED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1 1838513165 YJPIJBUJEIIFSW-HXUWFJFHSA-N 404.467 0.781 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1839173642 CWIDKTORRPKKDM-CBGDNZLLSA-N 424.494 0.520 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(Br)CC1)CCO2 1839208510 SUWDIWMAWRVROJ-BXUZGUMPSA-N 407.330 0.689 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839711720 HCYACNQBJDTSCE-JXFKEZNVSA-N 406.483 0.239 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1839810890 XDXZBSRRFLFCJM-HRAATJIYSA-N 421.494 0.476 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103426 AOHWEYNJKRVAQI-UWJYYQICSA-N 423.510 0.046 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nc2nccn12 1840163321 GFIJHBCKMGGXCZ-AUUYWEPGSA-N 419.507 0.426 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273071 LAELIZKVDGMAMU-XFYJMZHFSA-N 408.495 0.032 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840802838 HRMOVZHLLWYKAB-HXUWFJFHSA-N 411.499 0.934 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813034 ZYEFPKLDYHRILF-SGSXCFNPSA-N 405.451 0.256 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840820956 SHKSBIIMBSMUMI-KKSFZXQISA-N 417.462 0.428 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)OC)C2)C1 1840844789 MAXYVHIQZUZPMM-KGVIQGDOSA-N 418.490 0.612 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CC(=O)Nc1cc(C)on1)C2 1841054516 KEGBAGXEUAAXEB-WAYWQWQTSA-N 415.450 0.373 30 20 HCED O=C(c1nc[nH]c1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300495 LJNNMHNRWGGPIA-GNZXAGPDSA-N 406.399 0.664 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1 1845768703 BTOLMZRANWCZOH-UHFFFAOYSA-N 407.430 0.397 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845824643 OPKRMUISKFKHHE-OAHLLOKOSA-N 418.450 0.533 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 56802185 VWCRNBQOWZBONM-UHFFFAOYSA-N 401.467 0.965 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCN2CCNC(=O)C2)ccc1Oc1ccccc1 426984519 BKYOBVZSUIFWQQ-UHFFFAOYSA-N 407.430 0.837 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3ccsc3)nn2C)CC1 427529257 VRIOHTVOURKCHK-UHFFFAOYSA-N 416.507 0.534 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)c1C 437152024 HPVWHIGJSIPWNK-UHFFFAOYSA-N 424.461 0.617 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC 440402212 XUYQELQRJBYOBT-UHFFFAOYSA-N 400.460 0.440 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 443081417 PRWIANBRZPLQEM-UHFFFAOYSA-N 402.404 0.488 30 20 HCED COC(=O)Cn1cc(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)nn1 446634816 ORHMXNLSTOICAX-UHFFFAOYSA-N 413.438 0.907 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)NCCS(=O)(=O)NCC2CCC2)cn1 462101362 XKUMYUDLHVZXLA-UHFFFAOYSA-N 403.468 0.980 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)C1=O 464920420 PKNYICMBMQQEDO-NSHDSACASA-N 413.390 0.899 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C2(C(=O)N(C)[C@@H]3CCN(CC=C)C3=O)CCC2)C1=O 467665044 DJQJEFYGUVEAFN-IAGOWNOFSA-N 416.522 0.647 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)n1 469635288 XRCWKGTVSYAQIL-IBGZPJMESA-N 415.837 1.354 30 20 HCED C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)NC[C@H]1CCS(=O)(=O)C1 475598163 ZTSAWCGLUJXTKM-UONOGXRCSA-N 405.542 0.319 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 476905950 QEIFCTMSZPNFHC-NSHDSACASA-N 418.449 0.730 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 477145810 XMTXDUHSPNXHMG-VXGBXAGGSA-N 402.454 0.605 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 479950163 MVILIUPCOBPNHK-FQEVSTJZSA-N 402.520 0.841 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(C)c2C#N)C1 486657613 YIHNURGYLRWMRI-OAHLLOKOSA-N 415.537 0.928 30 20 HCED CC(C)(C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1cc(F)cc(C#N)c1 491887748 JGJVBZGKJACNBB-SJORKVTESA-N 409.483 0.277 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 494338887 CCMHCLZUGDWTHE-UHFFFAOYSA-N 410.496 0.013 30 20 HCED CN1C(=O)c2ccc(NC(=O)CN3CCN(c4ccc(C#N)cn4)CC3)cc2C1=O 497492731 FZHYFMOASKFHDS-UHFFFAOYSA-N 404.430 0.940 30 20 HCED COCCN(CCOC)S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 503741338 XINYNZDUBVPRMJ-KRWDZBQOSA-N 410.496 0.483 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 505612039 SAXCUSURMLBICH-UHFFFAOYSA-N 407.471 0.788 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)n1 508367573 YBXHJTZHDZYORH-CYBMUJFWSA-N 402.386 0.602 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 513609555 PSTSBDYBEKXGSR-UHFFFAOYSA-N 413.521 0.681 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCCOC1 518094253 HAPOLSTYUZZKJP-KRWDZBQOSA-N 420.535 0.750 30 20 HCED CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 519964723 YOYJPUHFAZDYFX-OAHLLOKOSA-N 421.523 0.879 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1Cc1ccon1 532195725 QJOYJEFGTMYITD-UHFFFAOYSA-N 411.399 0.103 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCOCC 533579516 IODCAOMWXWCVMO-UHFFFAOYSA-N 403.508 0.192 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 539687725 BHGMJOFPMITTCH-UHFFFAOYSA-N 404.492 0.541 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 539749214 AXZSHXNYAWDLHY-UHFFFAOYSA-N 411.915 0.462 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3nc4ccccn4c3C#N)CC2)C[C@@H](C)O1 541114005 ADDBOJCXXWZKNM-HUUCEWRRSA-N 404.496 0.682 30 20 HCED CC(C)OC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 545327162 KKRJBRZFLCSMMG-QGZVFWFLSA-N 412.450 0.789 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CCC[C@@H](C(N)=O)C2)cc1N1CCC[C@H](C(N)=O)C1 550341769 OTDZAZXCUHHBIN-QWHCGFSZSA-N 400.439 0.870 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 558159629 QFHGLKUILQQABC-UHFFFAOYSA-N 422.493 0.456 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)c1 558537542 PDANJZKOMFTFFE-UHFFFAOYSA-N 422.507 0.242 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 558982219 FIAYPEOWMHQFGO-CVEARBPZSA-N 412.560 0.623 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2=O)cn1 563904368 KEQMPHIIHBXOIE-INIZCTEOSA-N 421.461 0.121 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCOCC 572064770 SPJJWGBCSHMILX-UHFFFAOYSA-N 414.487 0.155 30 20 HCED CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 572521679 MWEUTTLPMCYTND-UHFFFAOYSA-N 408.462 0.350 30 20 HCED C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 579630734 ZMPUIPTTXKTHLU-DNVCBOLYSA-N 423.521 0.891 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587667180 YVSVLMFZVSRQCA-SJORKVTESA-N 401.467 0.348 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608911113 KQFGGBFNHKGRGS-NSHDSACASA-N 414.443 0.422 30 20 HCED N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 610336846 NOZRDMLLHSAUMU-SFHVURJKSA-N 420.491 0.628 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)CC1 611199389 CUAVYIHAGNHAPM-QGZVFWFLSA-N 407.409 0.990 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cn2)cc1 611613546 SOSLXJJHWNOTJC-UHFFFAOYSA-N 408.418 0.232 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@H]3c3ccccc3C)CC2)o1 612747481 PETAWCVNNKUDIH-HXUWFJFHSA-N 422.489 0.985 30 20 HCED COc1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)ccc1S(=O)(=O)N1CCCC1 615632286 KHVHTIYNNPLWTP-GOSISDBHSA-N 424.454 0.882 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCC[C@H]2CO1 725898125 UZSRPOISWVZDTL-LSDHHAIUSA-N 406.508 0.485 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c(Cl)c1 729671835 VSRMXQSMOBQPDU-UHFFFAOYSA-N 423.903 0.643 30 20 HCED O=C(Cn1c(S)nnc1-c1cccs1)NCCN/C(O)=C1/N=CC=CC1=O 732154089 NTQLLERDWMSBMC-SQFISAMPSA-N 404.477 0.938 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)c2ccc(OC)cc2)CC1 733150069 ADIFNRHJPGQXSY-UHFFFAOYSA-N 414.506 0.489 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)CC1 733150837 XIKWPVGRCHXDLP-UHFFFAOYSA-N 424.523 0.254 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 739939432 FXUVPFJDJDLWAZ-UHFFFAOYSA-N 404.489 0.590 30 20 HCED C[C@@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742464061 YPEDIUHWISBRKC-NSHDSACASA-N 422.488 0.790 30 20 HCED Cc1nnc(S)n1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 743501010 BCYXGCJFFREDMT-UHFFFAOYSA-N 408.509 0.510 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cn1 746392715 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1818073454 LMDKCVSZBNLTHA-GOEBONIOSA-N 410.434 0.455 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](C)n1cnnn1)CC2 1819720118 BDGQMFDRJVDBFN-MJVIPROJSA-N 419.511 0.876 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cccnc1CS(C)(=O)=O)CC2 1825014598 OQRGEZBLUHHTJL-LLVKDONJSA-N 418.500 0.942 30 20 HCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc3n(n1)CCNC3=O)CC2 1826013327 ODPXLUNUIDMSIY-IUCAKERBSA-N 420.520 0.627 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)S)sc2C1 1826023885 MXLRUTSGITZQQY-UVPNAGLESA-N 402.498 0.438 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCCO1)CCO2 1829919411 MWVWFCSIYRDIMG-WDFHVHJUSA-N 422.526 0.484 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccc(O)cc4)CCO3)C2)CC1 1830342996 WSPCSUNZOOLBAL-NRFANRHFSA-N 415.446 0.531 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)cc3)C2)C1 1831391215 KEZLUWBXWSNMSY-VGOFRKELSA-N 418.465 0.863 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnc3C)C2)C1 1831391329 NPLFHSQOVHODTH-BEFAXECRSA-N 407.492 0.560 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1831391552 QOKNGBLKBNPSNB-KKSFZXQISA-N 417.462 0.199 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831426094 IVALQNYZGCDFQX-BWABGXRHSA-N 419.478 0.746 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)COc2cccnn2)CC1 1832192952 APJLVZFKHHPWDE-INIZCTEOSA-N 400.435 0.563 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1832462213 FLBPBJLTJVUTQW-FQEVSTJZSA-N 421.519 0.705 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1833472513 KUIAOBHRFWDACZ-UHFFFAOYSA-N 409.531 0.209 30 20 HCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1834516993 LWUFSPZKPJSMJZ-FQEVSTJZSA-N 424.501 0.718 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3ccccc3)CCO2)C1 1834701924 HFLUFVBNUUNXHY-JTSKRJEESA-N 416.474 0.917 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835099056 YCQFISVQONWIGN-QTGUNEKASA-N 413.518 0.868 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835800508 DKJLHXHNRBMCGB-IFXJQAMLSA-N 424.523 0.695 30 20 HCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)nn1C 1836202249 DWIRQEJTNQSGFR-UHFFFAOYSA-N 414.510 0.918 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3[nH]nc4ncccc34)CCO2)C1 1836450855 IOUMAJODGVVKEQ-FQEVSTJZSA-N 412.450 0.578 30 20 HCED CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@H](C)ON=C(C)C)CC2)CC1 1836835387 UULLJKGQJOHRBS-HNNXBMFYSA-N 410.515 0.922 30 20 HCED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)CC1 1837559673 AVMHLALHYHXROF-FFCJBUTOSA-N 419.478 0.582 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nn1C 1838279462 CFIALVVJBHYVOH-NRFANRHFSA-N 415.494 0.746 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1838739972 DBHRGTWMKWIZNQ-XJKSGUPXSA-N 418.581 0.881 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839060407 QISJPQGURUMBHO-XMSQKQJNSA-N 417.506 0.654 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1839420483 LWYXMRWQXAFVCX-IBGZPJMESA-N 414.397 0.199 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc([N+](=O)[O-])c(O)cc1C)CCO2 1839467845 ZONVBVNJQRBNBP-IBGZPJMESA-N 403.391 0.312 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839871013 VDJCYMCTJVOJLD-IERDGZPVSA-N 407.511 0.571 30 20 HCED COc1ccccc1CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1839953517 RAAHOBYJZVSZBY-NRFANRHFSA-N 401.463 0.998 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840160156 YFYNSFRRRQIDOL-WBMJQRKESA-N 402.904 0.311 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1840163065 CHHRZXFLMLWFFA-ZUOKHONESA-N 419.503 0.570 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1840295198 ARTSKOJAUHXJHE-NRFANRHFSA-N 402.495 0.613 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nccc5nc[nH]c45)C3)C2)CCC1 1840813736 RTKSSECLDXZBAQ-OAQYLSRUSA-N 424.461 0.722 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)ccc1F)C2 1844159802 ZBLLNLGMMZPBSN-HNNXBMFYSA-N 404.398 0.579 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299335 PKBYRFKQDZDPIR-BXBWPVBISA-N 415.512 0.400 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1844386025 FSMIOXZNKCMLQF-GOSISDBHSA-N 416.453 0.594 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(O)c2ccn(C)c12 1847263677 HHOWGMYOEFVNAG-FEFZKZJHSA-N 423.473 0.953 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 409587903 SGJRJGRWCWWCKL-CYBMUJFWSA-N 408.571 0.044 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCC3(CO)COC3)c2)c1 438270969 XRSZKQWBJVKGAO-UHFFFAOYSA-N 422.437 0.937 30 20 HCED COc1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1OCC(N)=O 442232488 CJSWVLITEVIYJP-UHFFFAOYSA-N 412.402 0.565 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C#N)cs2)c1=O 443575824 NNACSOXDMOKUPL-UHFFFAOYSA-N 416.553 0.988 30 20 HCED CC1(C)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCS1(=O)=O 446750361 GMZGKDQERZUVFO-UHFFFAOYSA-N 413.521 0.918 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(C)(C)Oc1ccc(C#N)cc1)C2 467042182 BHNKRWLILLDTDN-UHFFFAOYSA-N 412.450 0.204 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468668371 RTACOFYAZGIIRK-MAUKXSAKSA-N 421.519 0.957 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)O[C@@H](CO)C2)cc1 470947160 PSILNPWYJDNPBH-DZGCQCFKSA-N 411.480 0.040 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCN(C(C)C)CC2)cc1 473367252 HFAYNWMEEBGANR-UHFFFAOYSA-N 402.495 0.892 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473388878 MDWRPMOTNIXPIC-IBGZPJMESA-N 411.506 0.718 30 20 HCED CS(=O)(=O)NCCc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)s1 478220316 OYNXFVQPVOGIDB-UHFFFAOYSA-N 414.553 0.528 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@]3(C#N)CCOC3)CC2)cc1OC 478647897 URYODFUWFSBLST-LJQANCHMSA-N 423.491 0.903 30 20 HCED CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481205268 FJGSTZFYPVRTDS-BBRMVZONSA-N 424.548 0.899 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC=CCC2)cc1 484985509 IGLQBCUHKKRYKC-UHFFFAOYSA-N 406.508 0.810 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489023228 ISDYHNSPDNQWQE-INIZCTEOSA-N 424.478 0.991 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 489172111 BMDSPBXYGCEXEJ-UHFFFAOYSA-N 421.425 0.410 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)ccc2OC(C)C)CC1 491172840 SXKZFKAJTFNHBA-UHFFFAOYSA-N 406.458 0.998 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H](CNS(N)(=O)=O)C1 500314218 KHJGEBGNNDAAPV-CVEARBPZSA-N 423.539 0.835 30 20 HCED Cc1onc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1C#N 500604130 QHGJMCKPAPISJK-HNNXBMFYSA-N 411.466 0.809 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1=O 501041529 QJGVZXSGOLNIBD-ROUUACIJSA-N 413.478 0.570 30 20 HCED COC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2C#N)CCS(=O)(=O)CC1 501466941 LVTYNUFJLPQWLP-UHFFFAOYSA-N 406.869 0.610 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CSCc3cccc(C(N)=O)n3)CC2)o1 502796000 NTPWPILAZFIXBU-UHFFFAOYSA-N 400.464 0.931 30 20 HCED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508866673 MFCCGLVNBDUKHB-ZDUSSCGKSA-N 416.869 0.940 30 20 HCED CC[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509874685 UWASJSAITCFRRD-GJZGRUSLSA-N 421.523 0.877 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3ccccc3)CC2)nc1 521469567 LGYCXLUDGUTMKK-UHFFFAOYSA-N 414.491 0.763 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)C1=O 522249032 QGVTZYLXNFAEDJ-UHFFFAOYSA-N 414.418 0.383 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2csc(C)n2)c1=O 522278493 ZJNLDKRGVNHKPP-UHFFFAOYSA-N 406.533 0.739 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 522389976 TZYUFNHPDMOHQT-UHFFFAOYSA-N 419.510 0.970 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2nccn2C)CC1 530299043 ZEUQAMDFNLGMSG-CQSZACIVSA-N 416.507 0.744 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)n1 536978411 MDQRVXHDIHUWEB-UHFFFAOYSA-N 415.498 0.431 30 20 HCED CC(C)(C(N)=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537248136 JVCUJFIXFNYHJZ-MRXNPFEDSA-N 418.567 0.338 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(F)ccc3C)c2=O)cn1 537567135 QOGAVRCOGDHTBC-UHFFFAOYSA-N 411.462 0.812 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 546709223 PFCLAIUUKHAWJL-LJQANCHMSA-N 404.492 0.829 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1C 551619328 FMUJIMIMUPWANL-UHFFFAOYSA-N 422.488 0.692 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 553734101 JISWOUOUYDWXKS-KRWDZBQOSA-N 406.508 0.944 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1 553985131 RBGOUIOPPGQKMW-APWZRJJASA-N 411.462 0.737 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1 559678798 VCDNAKCQVXKZIU-MRXNPFEDSA-N 401.511 0.690 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3c(C)cnn3C)c(=O)n2CC(N)=O)cc1 560427283 KFNOXRZZTLJQBJ-UHFFFAOYSA-N 421.482 0.131 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)C2)c(F)c1 561782927 BZXQDZVGOHIKPD-HNNXBMFYSA-N 413.453 0.616 30 20 HCED Cc1ccc(S(=O)(=O)NC2CN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C2)cc1 562151030 ZYUSYUQPSUWZIL-UHFFFAOYSA-N 424.482 0.945 30 20 HCED CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 576774990 WWJJTRBBNZDRIK-ZBFHGGJFSA-N 418.479 0.594 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 585725590 XXQPKBMMHXXBHV-OTWHNJEPSA-N 409.490 0.518 30 20 HCED N#Cc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 589309526 QCUXUYUMHROYEY-UHFFFAOYSA-N 400.464 0.230 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccnc2-n2cccn2)CC1 604169249 WBSWOEMVWVDWLL-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(C(N)=O)cc1 608828608 CYEYRQWNMGHJTI-UHFFFAOYSA-N 422.441 0.386 30 20 HCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 608911541 IOHNYSAYMZXOIG-UHFFFAOYSA-N 414.462 0.096 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1[N+](=O)[O-] 611239211 FGQMMOVEBQTYOV-UHFFFAOYSA-N 404.408 0.776 30 20 HCED CN(CCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)S(C)(=O)=O 619683302 XFFRCUDKERZYTF-UHFFFAOYSA-N 422.385 0.793 30 20 HCED N#Cc1ccc(NCCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)nc1 732240986 QUPLOGZCUVYOSI-HNNXBMFYSA-N 410.500 0.153 30 20 HCED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3csc(C)n3)CC2)nc1 732921291 AVABOQMOBCCZRV-UHFFFAOYSA-N 405.505 0.720 30 20 HCED C#CCN1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 733163483 MBECTHJQHZWJJC-UHFFFAOYSA-N 421.519 0.684 30 20 HCED CCc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1S(N)(=O)=O 735750835 JXRAGGUSAXXOEM-NXVVXOECSA-N 407.452 0.544 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)CC1 747741747 KKERUZCFRUHMSU-UHFFFAOYSA-N 411.911 0.996 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc1 750734311 CKERQCWUDMYJCZ-UHFFFAOYSA-N 423.535 0.944 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 751803553 NGOZKWMKPPWLHL-ZETCQYMHSA-N 407.807 0.684 30 20 HCED C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)CC1 752848674 OWMXCQYLOLWCET-HZPDHXFCSA-N 410.544 0.213 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 756889353 ZVWTUGISAMQIDI-AVGNSLFASA-N 402.517 0.826 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 757301563 XDIYBWIMKHZTMZ-OCCSQVGLSA-N 411.455 0.610 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758762325 SQYSUEUDSVPAGR-JHJVBQTASA-N 401.489 0.079 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760377346 KDVJLUZHQGYBLT-UHFFFAOYSA-N 420.922 0.942 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 761030543 IFXOGJMEUZDDQR-CYBMUJFWSA-N 407.521 0.709 30 20 HCED CN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 763196345 ANOJVRVJPDHQFH-SILNSSARSA-N 407.496 0.212 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccn(C)c3)c2=O)cn1 763460706 PROLYWLUEOBOQQ-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CCOCCS(=O)(=O)NCC(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 767376582 ZQYJGDNZJYRYTL-LBPRGKRZSA-N 401.466 0.224 30 20 HCED CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NS(=O)(=O)CC1(C#N)CCC1 771074258 BQCDEUTUMGNXCY-UHFFFAOYSA-N 424.504 0.721 30 20 HCED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(Cl)c1OC 771898307 WRVAODQAYSBNCR-UHFFFAOYSA-N 416.843 0.067 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1)[C@H]1CCCO1 773793477 GRARHUNQDJKCRK-HZPDHXFCSA-N 401.419 0.215 30 20 HCED CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCNc1ncccc1C#N 777914014 YZLSHHXBBHBFFH-UHFFFAOYSA-N 409.493 0.642 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)c1 782163290 AGEICLHXDQEGLQ-QGZVFWFLSA-N 401.419 0.882 30 20 HCED N#CC1(NC(=O)CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)CCC1 783969219 XIXBJWINALHBSU-SFHVURJKSA-N 420.422 0.313 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)NCCNS(=O)(=O)c2ccccc2)n1 788861718 YENSWOYERXQCBL-UHFFFAOYSA-N 419.507 0.653 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)C1=O 799267819 XMYFTDQPWYBBCN-LBPRGKRZSA-N 415.418 0.867 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@H](C)C(=O)NCCF)C1=O 799863309 BKUBWCNLIYWBBF-QMTHXVAHSA-N 424.454 0.957 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCc1ccccn1 805963059 ZHNJBBGVKZSUFR-KBPBESRZSA-N 416.459 0.868 30 20 HCED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 806917566 SWFADFBYXHUMND-UHFFFAOYSA-N 418.269 0.437 30 20 HCED COC(=O)c1cn(CCNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1 807109577 JQJCJNVIOYHZFN-NWDGAFQWSA-N 407.431 0.123 30 20 HCED C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)C(=O)Nc1ncccc1O 808143453 XMRYMWPIPOJPDP-REDRLGJASA-N 401.423 0.783 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 809304898 SBCBOFKRINLMRN-OTWHNJEPSA-N 419.909 0.815 30 20 HCED CC1(C)CN=C(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)S1 810424540 SNWXSEAIZKLJFF-UHFFFAOYSA-N 421.548 0.862 30 20 HCED CCCc1nnc(SCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1N 813476715 CHFYGIKGEDHLFW-GFCCVEGCSA-N 401.500 0.435 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)c3nonc23)CC1 814381452 GOUOYJOWAPGPMJ-UHFFFAOYSA-N 411.871 0.322 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)COCc2nncn2C)cc1 815041598 KJZDCXBWEHAKFV-RCCKNPSSSA-N 406.468 0.783 30 20 HCED Cc1cc(C=NNc2ccc(S(N)(=O)=O)cn2)c(C)n1CCN1CCOCC1 915961451 FKMFRNSJJHRPEL-UHFFFAOYSA-N 406.512 0.926 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1079140977 KLVWZBGNJJFHHP-WXJALIKYSA-N 402.491 0.668 30 20 HCED CN(Cc1cn(-c2cccc(Br)c2)nn1)c1[nH]c(=O)n(C)c(=O)c1C#N 1163159862 MEGJYXGWPKKEON-UHFFFAOYSA-N 416.239 0.925 30 20 HCED Cc1nc(N2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC2)n[nH]1 1175715366 OJMCQTYLOAXNDW-MRXNPFEDSA-N 414.539 0.706 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1251410872 CVKYZDAUEOOCBW-INIZCTEOSA-N 413.503 0.532 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1253115979 KWJMLDOGFXNPBQ-HKUYNNGSSA-N 409.490 0.676 30 20 HCED C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1286619334 QMUPVGXVMZCHJQ-UHFFFAOYSA-N 419.873 0.973 30 20 HCED CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1301854458 XMZBWAUWOZOTKS-MRXNPFEDSA-N 420.481 0.741 30 20 HCED N#Cc1cn(CCNC(=O)NC2CCN(CCc3ccccc3)CC2)c(=O)nc1O 1311480943 WHBCIHRVPPTVQJ-UHFFFAOYSA-N 410.478 0.827 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n1 1318714703 VMPUQMSYKHONLV-WBVHZDCISA-N 406.446 0.956 30 20 HCED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C 1516794804 OOQNBUNMQGEGTK-UHFFFAOYSA-N 404.496 0.776 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)[C@@H]3CCOC3)CC2)cc1 1546305066 QNRKWGBRRBMHRI-AEFFLSMTSA-N 407.492 0.473 30 20 HCED CC(C)(CO)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1570776006 NZYQZZHJPBWRLV-KRWDZBQOSA-N 402.476 0.996 30 20 HCED N#Cc1cn(CCNC(=O)COc2ccc(Br)cc2F)c(=O)nc1O 1585292434 KEBWMAIZVTVPDI-UHFFFAOYSA-N 411.187 0.917 30 20 HCED CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613085294 LJZMOSNRANNCOG-HRAATJIYSA-N 424.509 0.983 30 20 HCED CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1621742680 SRQQZMOKGOYRFV-UHFFFAOYSA-N 412.537 0.740 30 20 HCED COC(=O)C1(C#N)CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1 1639905368 PQGRGUZRARWENW-UHFFFAOYSA-N 400.478 0.777 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1641428489 OGSXYIPAUBYLQE-AWEZNQCLSA-N 424.504 0.181 30 20 HCED CN(CCN(C)S(=O)(=O)CC(C)(C)CC#N)c1ccc(S(N)(=O)=O)cc1 1669430457 JDPYBFOKCBKFQV-UHFFFAOYSA-N 402.542 0.972 30 20 HCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1710904335 AIIGFEVWLIQYOB-VDBVYFBLSA-N 402.546 0.397 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 1712883238 VRWMSFYEEPYNSB-HNNXBMFYSA-N 406.512 0.446 30 20 HCED 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C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 447456481 AXKMKEVSRPIGGV-YJBOKZPZSA-N 419.478 0.413 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)c1 447834482 WSGOAUFERLIATK-RDJZCZTQSA-N 412.508 0.637 30 20 HCED C=C[C@H](CO)NC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 460325599 JIVFPOXAWRKACQ-CYBMUJFWSA-N 413.496 0.703 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)cn1 460617438 DYFXSWYHASPESQ-HNNXBMFYSA-N 419.449 0.596 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 462098114 TZDONDCXONKCIN-MRXNPFEDSA-N 409.450 1.303 30 20 HCED CC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471079231 PIFFXJCUOPYMQO-INIZCTEOSA-N 411.462 0.945 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 473388958 OEVZDXQZMNTPSN-MOPGFXCFSA-N 410.474 0.899 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1 474211157 AMUYOVYOZQMKSI-IAGOWNOFSA-N 421.461 0.603 30 20 HCED 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C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 504124618 LMUUKJMWDJGDML-ZFWWWQNUSA-N 413.521 0.651 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 505636788 UPLDGDGPSBLZFQ-HNNXBMFYSA-N 409.402 0.147 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508932023 RKQXLNXXWTWOFP-INIZCTEOSA-N 421.527 0.495 30 20 HCED CCN1CCN(c2ccc(Cl)cc2NC(=O)C(=O)NCC(=O)NCC#N)CC1 508941427 IDBPIVGODAZXQY-UHFFFAOYSA-N 406.874 0.176 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCN(C)CC1 511114810 JJOWVMXCSXLBHF-MRXNPFEDSA-N 405.524 0.027 30 20 HCED COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 514177103 AQCULQXANXPOAX-IBGZPJMESA-N 407.474 0.976 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 516793024 NZGHRRGLICSUGY-FQEVSTJZSA-N 400.523 0.943 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)C1=O 520641132 ZGTNTDZKEZMZTI-HIFRSBDPSA-N 405.886 0.675 30 20 HCED CCOC(=O)c1cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cn1C 525848618 WOZAQOCQCMCWCG-UHFFFAOYSA-N 401.427 0.408 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n([C@H](C)c2ccccc2)c1=O 533579215 FGFXPVPVTIBYEG-CQSZACIVSA-N 407.499 0.985 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 538905777 JLLOWDBGQLTPMF-AWEZNQCLSA-N 419.449 0.975 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)CCCC)cc1 540791093 XNOSULKTSTWUHC-UHFFFAOYSA-N 410.496 0.464 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 550218142 FMFRJWFTIXJQDX-UHFFFAOYSA-N 420.441 0.093 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)CC2)c(F)c1 557125543 BTSQRNOTJOFPFJ-INIZCTEOSA-N 404.442 0.658 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 557495431 CSMSUIZFBVPQPB-KRWDZBQOSA-N 421.461 0.342 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)c1 559448437 SHZFMKLSRMQPDP-UHFFFAOYSA-N 408.466 0.236 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1 559723063 LWRXVKHRFGEUPP-YFTGLANFSA-N 413.430 0.687 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C)N2CCc3sccc3C2)C1=O 559963234 KUNZPUULXBPZKV-HOCLYGCPSA-N 404.536 0.856 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H]1[C@@H]1CCCO1 562151339 FIWKWXQUZMIDLN-DLBZAZTESA-N 408.462 1.553 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCn2c(=O)oc3ccccc32)n1 575099080 FXQPHPIJLNLOEX-UHFFFAOYSA-N 417.385 0.802 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1ccccc1 575827790 WALZWLXEWCBITF-GUYCJALGSA-N 423.477 0.565 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc1 577071525 UDCSTGTXKAUPSC-HZPDHXFCSA-N 413.521 0.395 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3n[nH]c(CO)n3)CC2)cc1 581348575 ULNXNJTXWOCZRL-HNNXBMFYSA-N 402.480 0.807 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CN1Cc1ccccc1 583045498 QJYAWOILPLVCKB-NVXWUHKLSA-N 423.521 1.034 30 20 HCED CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 583892050 UMAWNTFQRLUJDE-GOSISDBHSA-N 420.473 0.595 30 20 HCED COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 586848506 SLVJTYUABHTDTI-UHFFFAOYSA-N 408.462 0.939 30 20 HCED CN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(C2CC2)C1 588868712 QWSIZWLUSZDXCT-OALUTQOASA-N 409.490 0.470 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590983265 YUZMKSHHLSPFHN-UHFFFAOYSA-N 417.874 0.954 30 20 HCED C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 603780919 AFTGAFAQFCBUAO-CYBMUJFWSA-N 421.500 0.998 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O 726043093 RGQQDAMTTLQZEH-AWEZNQCLSA-N 412.402 0.842 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)CCC(C)C)CC2)o1 728731279 JPJHLRLUYWDKCB-UHFFFAOYSA-N 405.455 0.599 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 730408152 WEFWJVHWMVHHEB-VUKUWZNJSA-N 419.846 0.824 30 20 HCED CNC(=O)CNC(=S)NN=C(C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 731926966 KOIPSKBUXTVTAT-UHFFFAOYSA-N 423.520 0.692 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C(=O)N2CCOCC2)c1 732420437 RGUKTJFEPLDIOR-ISLYRVAYSA-N 413.434 0.807 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1C 745443397 DSSYYPAZCRWJHS-LRZXTXFSSA-N 415.402 0.801 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 747579247 LNXRUTXTIMRIQX-UHFFFAOYSA-N 424.527 0.447 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCSC)c2=O)cn1 751822829 GZEHCSBUAQBPOU-UHFFFAOYSA-N 420.560 0.844 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(C(=O)N(C)C)[nH]3)nc2)CC1 752164472 TWIKMDNGHYJYAL-UHFFFAOYSA-N 419.511 0.494 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753358306 MBEBZVXGFXTCSL-UHFFFAOYSA-N 412.471 0.336 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)C1 755537312 MNSVDFIXAADILI-WFASDCNBSA-N 413.434 0.995 30 20 HCED CCN(CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(C)(=O)=O 758386329 CENSUSKXMWELKF-KGLIPLIRSA-N 417.532 0.716 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(C(C)C)s2)c1=O 758560884 QOPXIUFXVHYATO-UHFFFAOYSA-N 418.544 0.918 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC(C)C)CCC(C)C)CC1 761024521 OVFRUNMDVBOCSR-UHFFFAOYSA-N 400.589 0.992 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 765526819 OIDRHUWOJMZDHY-YJBOKZPZSA-N 420.535 0.985 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 767638180 RFRNNKSBEUYTAB-WDEREUQCSA-N 408.436 0.145 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)CCOC)CC2)cc1 768355983 NEDSMBCDVQVGJS-UHFFFAOYSA-N 407.492 0.355 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 773272294 YNNVLVCXNYPHQS-CQSZACIVSA-N 412.398 0.922 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC)[C@@H]1CCCO1 773791503 CHFMUWFFZVAVRB-BBRMVZONSA-N 409.464 0.181 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)COc3ccc(C#N)cc3)ccc21 774933090 ZONHBSBSKCPRET-UHFFFAOYSA-N 400.416 0.633 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 779477625 ADZHWMSOQNYPGE-MWPNVGDWSA-N 422.507 0.714 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 783044052 BLAPLNFOSVGIGA-UHFFFAOYSA-N 401.510 0.644 30 20 HCED C[C@H](O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 783363348 MHXNVMNTOQFNGN-BBVBSRCGSA-N 410.496 0.714 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 783425710 SMWYIGRZKCGDAD-MRXNPFEDSA-N 415.494 0.928 30 20 HCED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCNc1ncccc1C#N 787756387 PAXZQJZWOZZEHX-OAHLLOKOSA-N 400.483 0.193 30 20 HCED COC(=O)[C@H](C)S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 797297581 KYTMASCLOMIXLK-NSHDSACASA-N 402.450 0.385 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@@H](CO)NC(=O)c2cccc(Br)c2)C1=O 798604133 QKPDRONHWMLJLF-ZIAGYGMSSA-N 411.252 0.870 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 799288418 ZEGQUNXKMILWSZ-APWZRJJASA-N 413.474 0.684 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800043878 OTFWIABCWMFOEP-UHFFFAOYSA-N 400.526 0.491 30 20 HCED COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C#N)C1 802476215 LQYUAZNQZDIUGC-HNNXBMFYSA-N 420.495 0.571 30 20 HCED C#CCNc1nc(N[C@@H]2CC(=O)N(C3CC3)C2)nc(N[C@@H]2CC(=O)N(C3CC3)C2)n1 804533215 ZIGZYOUUKGZLPR-CHWSQXEVSA-N 410.482 0.267 30 20 HCED C#CCN=c1nc(N2CCC[C@H]2CC(=O)OC)[nH]c(N2CCC[C@@H]2CC(=O)OC)n1 804562216 AFXUQNDGEUNKKF-GASCZTMLSA-N 416.482 0.402 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N=c1ccnc2n(C)[nH]cc1-2 806851262 LHCQIUXJISPIKL-UHFFFAOYSA-N 405.462 0.742 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCCO1 808778450 XRCYHKVZSCKUKN-RBUKOAKNSA-N 418.925 0.875 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 811836495 YDEFISQXRAMNGC-GOSISDBHSA-N 411.480 0.823 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)N(C)OC)CC2)cc1 813027275 ISROALMIGKMDCL-UHFFFAOYSA-N 402.451 0.799 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1 815860247 CMFMZLUHZYNEPS-UHFFFAOYSA-N 410.496 0.467 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 820781743 HONSBYKJCIVYMZ-MRXNPFEDSA-N 400.526 0.090 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 853144555 HLVJZRHPXGYITE-KBPBESRZSA-N 411.480 0.284 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CC(=O)NC2CC2)C1=O 914556073 SPAAREZUGOBPET-OAHLLOKOSA-N 417.491 0.991 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN(C)S(C)(=O)=O)cc1 918608397 JFESZRAWVAVPJQ-VKAVYKQESA-N 402.498 0.329 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C1CC1 919179364 DNOAQTMAVCNRJI-LUQKVYGDSA-N 417.437 0.682 30 20 HCED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1003708643 PUCSOJJPFIOHCB-RACLHMPKSA-N 402.539 0.299 30 20 HCED C=C(Br)CN1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1069982593 JTXXDKVFUUHEPH-QKMYFLCJSA-N 408.300 0.952 30 20 HCED COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1299366067 QGBFSOWUPJSQMJ-LAUBAEHRSA-N 410.478 0.883 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)NC[C@H]1c1ccccc1 1456118575 BMFBCZNJKWLWAN-KDOFPFPSSA-N 412.471 0.925 30 20 HCED CCN(CCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1502182398 RQAZXYRYNZBDDR-QGZVFWFLSA-N 422.490 0.849 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 1516659141 QVYONHZVFRZTJI-JGGQBBKZSA-N 419.459 0.378 30 20 HCED COCCn1cc(N2C[C@H](C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2=O)cn1 1542769073 YDGZOJSQXUPJHI-AEFFLSMTSA-N 402.499 0.575 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C1CC1)C1(CO)CCOCC1 1557259748 VWUUHFHGGMPAQG-RDTXWAMCSA-N 421.519 0.909 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1596831647 OTCLTISUESSMGC-CZUORRHYSA-N 420.495 0.936 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1622620692 VTLQXDDLHMKVRT-UHFFFAOYSA-N 403.443 0.853 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)c1 1690993848 RIUUXGBNIFJDHK-UONOGXRCSA-N 408.532 0.850 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712884299 JVQWBMWESWFGGZ-UKRRQHHQSA-N 400.443 0.402 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749267196 PEBDUFBWMBSSIF-QWHCGFSZSA-N 416.935 0.747 30 20 HCED Cc1n[nH]cc1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1761609246 PQLYFVPIKNOXMD-CVEARBPZSA-N 419.511 0.573 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NO[C@H](c4ccccc4)C3)C2)C1 1778171989 DBNQWSYAPLKLKX-UWJYYQICSA-N 411.414 0.422 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778476704 VCDTXHNSIGLBBN-HRAATJIYSA-N 413.478 0.746 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)NC(=O)OCC)C2)C1 1778788995 PHYJWFFGHXEKET-BLLLJJGKSA-N 405.398 0.092 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1778977516 ZJCDIZFTZSCBRD-FOIQADDNSA-N 404.467 0.258 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014208 AJSNZLGOWZUXHJ-JLDPKJTDSA-N 402.499 0.644 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1779100060 RUZIOJLUUMZUFF-YFJYBRFJSA-N 417.466 0.378 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1779252252 BEOJJWAHWFLMAG-VLIAUNLRSA-N 401.467 0.635 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ncccc3F)C2)C1 1779805220 BYDBIYAXQIXJFX-KKHYBRAUSA-N 402.426 0.523 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(=N)N)CCO3)C2)c1Cl 1780191583 FZLFRYLRFDGYOV-SFHVURJKSA-N 404.858 0.138 30 20 HCED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc(C#N)c4)C3)C2)CCC1=O 1780592757 CVFFVUGONFBSIS-NRFANRHFSA-N 409.446 0.610 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)c1 1780597340 JRHNTNNBYJINJC-HXUWFJFHSA-N 409.402 0.517 30 20 HCED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299930 JTVNSCNOMXQJLY-HXUWFJFHSA-N 402.426 0.206 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1781397738 GHRZMOZNWKRJPL-AUUYWEPGSA-N 421.454 0.192 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1)n1cnnn1 1781791166 ACUMDHCNLGXYAB-FOIQADDNSA-N 409.450 0.444 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1782060821 KNEKKIYGGTXCKF-HTAPYJJXSA-N 410.474 0.836 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198268 NOGXAKQCMYSGDD-ASSNKEHSSA-N 424.461 0.403 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CNC(=O)C4)C3)C2)c1 1783156798 QDUUIJJPHUDDEF-XMSQKQJNSA-N 410.474 0.457 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1783340292 CTQNESVTXNSQFT-SELNLUPBSA-N 416.518 0.993 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H]1OCCc3ccccc31)CCO2 1783557271 DOVQNFZZTXVISL-XMSQKQJNSA-N 412.442 0.608 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783631132 VGCHOYSOYPRCOW-QAETUUGQSA-N 421.494 0.002 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1785489095 ZRFLXUTXUKCNNY-OAQYLSRUSA-N 410.430 0.413 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCOC3)C2)C1 1785501143 WRRXQFYXAHDGQH-XMSQKQJNSA-N 404.507 0.942 30 20 HCED Cc1nc[nH]c1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1787648454 OEFBLEKWBBDKBD-FAWSLWFYSA-N 419.482 0.840 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344668 QIUAZUHOWKMAJY-MBGYTDRXSA-N 411.466 0.407 30 20 HCED C#CCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cc(C)on3)C[C@@H]21 1791268179 XAKHIAAMUXCBOS-BQFCYCMXSA-N 416.478 0.496 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csnc1C)C2 1792484564 PCYJMUCHFFTMNU-OLDVJPBNSA-N 404.492 0.513 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3cccnc13)C2 1793383716 BFXKBOPWYROFHP-OCVGTWLNSA-N 403.508 0.887 30 20 HCED Cc1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(C#N)cc2)C3)c(=O)[nH]c1C 1794311565 VQOOQPFUWRTAOA-BCDXTJNWSA-N 421.457 0.775 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccns1 1794535271 IBXYDSJLEQTDQQ-SSPIMUCQSA-N 408.480 0.875 30 20 HCED CCn1nccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794886543 OTQJTUUEWYXLCX-QTTPAESDSA-N 419.482 0.635 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CC[C@@H]4CCC(=O)N4C2)C3)CC1 1795411363 JJKCJWIHZHIEBL-UJHHCITNSA-N 400.479 0.281 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CS(=O)(=O)N1CCCC1 1796887666 HAVHSVPZNOBFDJ-NXOAAHMSSA-N 413.540 0.641 30 20 HCED Cc1cc(C)n2ncc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)[C@H](C)S)C4)c2n1 1796921640 FFSBPDGBLXUIFF-AYDFFVQHSA-N 403.508 0.868 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2ccncc12 1797061535 KGCZXBZKCZBXEB-AFIMGQEJSA-N 414.466 0.733 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797439979 JMKSQQOGOFBIPS-GGXPGOJBSA-N 400.479 0.461 30 20 HCED Cc1nccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)n1 1797811728 UGLWGNWQNXNYPZ-KIYQGWNUSA-N 417.466 0.517 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1cc(O)no1 1798203279 SURPZTPRMYQIMZ-ZSBFGKGUSA-N 403.435 0.282 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(O)nc1 1798645072 SLKAUMDJQUSIMJ-UPHUGPLXSA-N 422.441 0.941 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](O)CCSC)C2 1799306414 CUZMPTSSEFFMOC-IVSAIRAKSA-N 414.524 0.199 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(c3ccccc3F)CC1)C2 1800778659 MPBOKCGSVVVIFE-HBCWATKFSA-N 400.406 0.535 30 20 HCED CC(C)(C#N)C(=O)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1802686100 XORYBVBIPJAEQN-RHSMWYFYSA-N 412.450 0.189 30 20 HCED CN(CC(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1)C(=O)C(=O)O 1803454604 OUZIFHUBRIIZBB-QFBILLFUSA-N 412.446 0.044 30 20 HCED C=CCSCC(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807042701 LYDWFGGTZJEMNQ-BXWFABGCSA-N 419.551 0.599 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@H]1CCN(C(=O)CCC(N)=O)[C@@H]1c1cccnc1 1807150165 KXQPKURXPUXICA-VQIMIIECSA-N 414.510 0.635 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cnc(O)nc3O)[C@@H]2c2cccnc2)CC1 1808280611 VONFHTBZNCXMCF-ZFWWWQNUSA-N 408.418 0.906 30 20 HCED Cn1nc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c2c1CCC2 1809366580 QKPFCJXEJZAITD-BTYIYWSLSA-N 421.457 0.711 30 20 HCED C[C@H](NC(=O)c1cnccn1)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1810438645 LNAXLONUBZMMTQ-URLQWDBASA-N 421.461 0.610 30 20 HCED COc1ccnc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1810811303 CQFHVMKYZIONQQ-FOIQADDNSA-N 408.414 0.893 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C2CCC(CO)CC2)[C@@H]1c1cccnc1 1812875546 YEOLBAPSXOMUOA-JXXMPFQCSA-N 413.474 0.974 30 20 HCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1813039496 MEJBAJZBGSZTPE-NJZAAPMLSA-N 416.440 0.131 30 20 HCED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1814570040 YOPPXFUZPIUCPT-HOCLYGCPSA-N 404.471 0.602 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819363320 CNKYUIZWZQVHKH-KGLIPLIRSA-N 402.459 0.662 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CNC(=O)C2)n[nH]1 1821953692 CJFCYDDOEBVIFX-QDPGXPNISA-N 414.466 0.396 30 20 HCED CC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)/C=N/N1CCCCC1)CC2 1825165583 ABCMKLBIYBRPAR-HSWQHBDASA-N 406.512 0.663 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3)C2)C1 1829769512 XBFGIPUNUAHVGB-BVGULUMVSA-N 413.474 0.615 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cocn4)C3)C2)cc1 1829900472 FJUUKLFJBOTYKE-NRFANRHFSA-N 410.430 0.859 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830062831 FJZATOCEAPSONI-OXQOHEQNSA-N 408.499 0.297 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)(C)C#N)CCO2)C1 1830063318 ODWVHUYYNLCASO-FQEVSTJZSA-N 409.483 0.582 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1OC)CCO2 1830234079 MGUCPHDDYBLMIG-JOCHJYFZSA-N 416.474 0.944 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1831221194 HITSTARHXBISCN-JOCHJYFZSA-N 408.458 0.818 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccc(Cl)c(F)c1)CCO2 1831295350 OLFQTYSRJSZDEQ-LJQANCHMSA-N 410.829 0.948 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1831424316 HNCCNKPKYBPVBN-VLIAUNLRSA-N 421.450 0.154 30 20 HCED COCCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831485793 KZPKUWKGHFNCLJ-SJLPKXTDSA-N 404.529 0.060 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)c1 1831487969 UAIGDBCSYIYZQE-PKOBYXMFSA-N 410.540 0.602 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1832456893 CDEOSJQEVMMQAJ-IBGZPJMESA-N 410.492 0.761 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2 1833391181 QSCJIWXLNRWMBE-OAQYLSRUSA-N 416.478 0.260 30 20 HCED C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1834661418 SSEQGLMMMNKUIO-JMDUWDNVSA-N 423.558 0.682 30 20 HCED Cc1cccc(C)c1NC(=O)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834766132 YWZLUVWYAGVCQM-OAQYLSRUSA-N 414.462 0.612 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1834767110 LZUDWWMNFTZVSG-IBGZPJMESA-N 407.467 0.290 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COCc3ccccc3)CCO2)C1 1835369945 AGFWIJQIVLAGRA-JXFKEZNVSA-N 408.520 0.978 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836184404 RQWNREZNFXJIGP-HXUWFJFHSA-N 405.520 1.000 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=C(C)OCC3)CCO2)C1 1836273245 DPONOLTXMDPQNO-UZLBHIALSA-N 409.483 0.938 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837052455 XVFRBVXJDXFBDF-SJCJKPOMSA-N 410.521 0.784 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1837394818 KCLUEUGDSMPNBQ-KUHUBIRLSA-N 409.508 0.786 30 20 HCED CC(C)(O)CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489734 SMQDIUKGNXHQRK-JOCHJYFZSA-N 422.522 0.302 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCO3)C2)C1 1837559836 ASSBWSLSZUSKCH-FAKCTINISA-N 419.478 0.724 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732853 CIYXVQKWNFYPNH-OXJNMPFZSA-N 404.467 0.363 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C(C)(C)C)c3Cl)C2)C1 1839807201 PBCCJLFOCRROJD-IBGZPJMESA-N 408.886 0.995 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1839809367 ZQQHDFGYANSCKH-FQEVSTJZSA-N 411.418 0.143 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1)C(F)(F)F 1839892343 ILKSYEFNNARNLE-MRXNPFEDSA-N 410.389 0.224 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4ccoc34)C2)C1 1840044516 KUIYLOAUEKLRHT-NRFANRHFSA-N 412.398 0.591 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1840173457 ZFWBDWXZHPBXFH-OAQYLSRUSA-N 413.478 0.992 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840489417 UXSSYPOBUWKZPT-CBGDNZLLSA-N 418.494 0.247 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(N(C)C)nc3)C2)C1 1840842956 LPDMPPMRNJIPSO-OAQYLSRUSA-N 400.479 0.631 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840851729 QPGGKMGUAJMVEK-JXFKEZNVSA-N 408.499 0.297 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCN2C(=O)C=CC2=O)c1 1847951055 CYKWGQQIIROFBD-ROUUACIJSA-N 422.441 0.697 30 20 HCED C#CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 18478666 SYAWXFPYZLFZIE-SCLBCKFNSA-N 404.444 0.160 30 20 HCED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 21405003 DZGXHJMNOHEQSP-OAHLLOKOSA-N 424.505 0.317 30 20 HCED CN(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ncnc2[nH]cnc12 56953864 ZVIJAWYYXDPDOI-UHFFFAOYSA-N 407.438 0.875 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 409558139 WBUVEAXGNZHCFA-GFCCVEGCSA-N 406.555 0.827 30 20 HCED CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)nc1 409566927 GEZCYHZOCWLGHJ-INIZCTEOSA-N 423.495 0.240 30 20 HCED Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 410147110 HREZYXPMRHUYBH-AEFFLSMTSA-N 422.507 0.376 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1 410414155 OFHWYYGCUPYIRO-IAGOWNOFSA-N 409.899 0.991 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(C(=O)NC)C2)cc1 430460974 XIJYSXGWCVATFN-IBGZPJMESA-N 422.507 0.416 30 20 HCED C[C@@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 439331214 OGMKOVQCYODQCZ-HNNXBMFYSA-N 421.523 0.712 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(COC)c2)c1=O 440386304 CDSWQKKPEMWQMA-UHFFFAOYSA-N 401.488 0.342 30 20 HCED O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442040617 FWSIDFOWEPQNAW-SFHVURJKSA-N 402.410 0.788 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1cc(Br)cc(C#N)c1 443360916 WXSGAXZXQPQCPZ-CQSZACIVSA-N 418.313 0.634 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1 443747171 LQHYDPLTFSCVBW-CQSZACIVSA-N 400.503 0.874 30 20 HCED Cn1c(NCCNS(=O)(=O)c2ccc(Cl)s2)c(C#N)c(=O)n(C)c1=O 443894032 GAAUNVMNVMTSNB-UHFFFAOYSA-N 403.873 0.061 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 444053209 BHKTXUOHFFQTSL-ZDUSSCGKSA-N 422.550 0.301 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446529310 ZMVNVOUHOSNTNG-UHFFFAOYSA-N 413.478 0.615 30 20 HCED C=C(C)COCCNC(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 446687309 KGCQKMJAVIYAIK-UHFFFAOYSA-N 402.439 0.739 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H](C(=O)N1CCOCC1)C(C)C 462109340 PRPQGKHFCVSAPO-KRWDZBQOSA-N 411.466 1.452 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 464956631 VXRSGKYIYBHHNH-HZPDHXFCSA-N 414.514 0.156 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)oc1C 465502921 YOSUKCCTCXICLZ-LLVKDONJSA-N 405.436 0.936 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 467224583 WPBVYHKNFSUIIF-INIZCTEOSA-N 424.461 0.772 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 471108830 SXIYXRHGBPEMDU-MOPGFXCFSA-N 416.503 0.894 30 20 HCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1 471875526 VCGCBUGWXIUAAT-IRXDYDNUSA-N 412.494 0.331 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(C[C@@H]4CCOC4)CC3)CC2)c1C#N 472052617 KPIYIYKBEJEKJV-KRWDZBQOSA-N 415.542 0.933 30 20 HCED N#C[C@@H]1CN(C(=O)NC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CCO1 477509555 KTUSAELHXVKMAE-CRAIPNDOSA-N 400.435 0.751 30 20 HCED CN(CC(=O)N1CCC(O[C@@H]2CCOC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 480172531 NIZAJJUPTMFSJO-QGZVFWFLSA-N 407.492 0.975 30 20 HCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480926798 LWXFFQSFHWBVOC-UHFFFAOYSA-N 421.482 0.903 30 20 HCED C=CCNC(=O)CS(=O)(=O)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1 486674110 HNAXQIWIVKUGDD-UHFFFAOYSA-N 411.436 0.979 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCOC[C@@H]2OCCOC)cc1 486714525 SNGZNXRENLNIRI-IRXDYDNUSA-N 405.451 0.478 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502376565 OMJQHIZDDLJLDK-SOLBZPMBSA-N 400.545 0.556 30 20 HCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cnn2C)c1=O 505693598 GMJHXKBTXOXWIV-UHFFFAOYSA-N 415.519 0.114 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 506882212 VWXFWBXTLILKDO-UHFFFAOYSA-N 418.479 0.038 30 20 HCED CN(Cc1cnc(N(C)C)nc1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 507550461 ODFNPLPSVAHXBW-UHFFFAOYSA-N 402.480 0.693 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)n1 513190309 SJPLAMZCAWXNHI-MRXNPFEDSA-N 401.398 0.725 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 514336781 PHIDUUYYYHHWFL-GOSISDBHSA-N 420.516 0.905 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2 518801580 TXJHPSMNKTYJMY-QGZVFWFLSA-N 405.462 0.374 30 20 HCED CN(CC(=O)Nc1ccc(CNC(N)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 519179836 XYHQYWLDIBUUJT-UHFFFAOYSA-N 401.448 0.986 30 20 HCED N#Cc1cccc(CCNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1 521390043 BDKXIYZGTDAPME-UHFFFAOYSA-N 405.414 0.907 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1 522111145 XLSZXSMXGQTGGD-UHFFFAOYSA-N 414.443 0.871 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1cccnc1 524344457 YTKUOBMOBQJQSO-UHFFFAOYSA-N 422.514 0.310 30 20 HCED CC(C)(CC(N)=O)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 543554864 GYLUOJKZVALDQX-UHFFFAOYSA-N 400.439 0.698 30 20 HCED COC(=O)c1cn([C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)nn1 545173499 DGKCPBLXBUZUHA-FUHWJXTLSA-N 417.514 0.394 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 552761231 LGELRIZBMSCQAU-RBUKOAKNSA-N 416.522 0.692 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)CC2 555799083 JWWRBBWGMDQKFT-UHFFFAOYSA-N 424.482 0.980 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)n(CCC#N)n1 557801668 GURFZVOCGFJXJO-UONOGXRCSA-N 410.500 0.268 30 20 HCED Cn1c(N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)c(C#N)c(=O)n(C)c1=O 561360498 UZORAQQGVBPGED-CQSZACIVSA-N 400.439 0.964 30 20 HCED CS(=O)(=O)N1CCC(N(CC(F)F)S(=O)(=O)c2cncc(C#N)c2)CC1 576672851 FKLPSZLTGWSMPP-UHFFFAOYSA-N 408.452 0.633 30 20 HCED COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 577567982 BEMWTIULGBQKBT-UHFFFAOYSA-N 424.460 0.595 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1cccc(C#N)c1 585758694 MNZKPBWAAGTXKP-ZDUSSCGKSA-N 407.430 0.931 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)nc1 588765449 OHCIOWAZESXLPL-KRWDZBQOSA-N 405.462 0.392 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)cnc2n(C)c1=O 600491058 BLWKQZKOVFBLRC-SFHVURJKSA-N 418.457 0.655 30 20 HCED CN(C)CCOc1ccccc1N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 609965339 CKFYJRDJQSXHER-UHFFFAOYSA-N 412.494 0.223 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(Cl)c2)c1=O 610245085 OOIXKTXABFPILH-UHFFFAOYSA-N 421.906 0.857 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1F 615628649 BWJIBFNVDKNRGZ-NSPYISDASA-N 422.388 0.910 30 20 HCED COC(=O)Cc1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 616499667 RQDZYQAXTIHFRX-LBPRGKRZSA-N 402.432 0.974 30 20 HCED N#Cc1c(CCCNC(=O)CCn2cc[nH]c(=O)c2=O)nn(-c2ccccc2)c1N 726865949 SSJQGFGRHWDIRU-UHFFFAOYSA-N 407.434 0.315 30 20 HCED C=CCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H]1CCS(=O)(=O)C1 731214685 WBSQPPLRIOEFTD-FVRSWCFKSA-N 412.512 0.193 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1 731456121 ZBMGLXABYQGQAW-INIZCTEOSA-N 406.435 0.907 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 732318379 VSFBNQJBSNQTOU-MRXNPFEDSA-N 404.448 0.847 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1 741217432 FQVKCVPVSHIKKO-LJQANCHMSA-N 419.570 0.738 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 743913960 IWOCZEWHEHFEFU-CQSZACIVSA-N 404.442 0.480 30 20 HCED C[C@@H](C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 748139157 GEDAQOPAIQGAEL-CQSZACIVSA-N 405.476 0.980 30 20 HCED CN1/C(=C\C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)C(C)(C)c2ccccc21 748694070 MQIPWQGPOVESSC-FNTDYBJHSA-N 411.462 0.894 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)c1 749706128 RDPBYKFBXQQYAG-INIZCTEOSA-N 400.479 0.292 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CCO)C2CC2)c1 749747328 ZBBJAHSPWXAIAP-UDWOFDDZSA-N 422.507 0.715 30 20 HCED C#CCN1CCN(C(=O)CNc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 749991447 WDNMLXFRJPEJRF-UHFFFAOYSA-N 424.498 0.036 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 757146662 BYPOHIXPTPLXOG-WBMJQRKESA-N 413.463 0.115 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C(C)C)c2)c1=O 758076479 HUTLBYLTRQJBMZ-UHFFFAOYSA-N 418.482 0.857 30 20 HCED C[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCS1(=O)=O 759140400 DRQRTAQRLPLHJD-RDBSUJKOSA-N 400.501 0.964 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 761024791 PKPTYMMRSFIRIH-QGZVFWFLSA-N 403.508 0.407 30 20 HCED CN(C)S(=O)(=O)Cc1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 761879642 ZLFHQWXWZYURAT-UHFFFAOYSA-N 413.481 0.132 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2ccccn2)CC1 762307829 LOAZSOVFEWXNJF-UHFFFAOYSA-N 413.503 0.855 30 20 HCED C[C@H](CCS(C)(=O)=O)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 762558182 OEUDAXLLFGNUPG-GFCCVEGCSA-N 401.510 0.445 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3cccc(OCC#N)c3)C2)nn1 762703131 CFCBDUUXDOBETM-AWEZNQCLSA-N 412.406 0.769 30 20 HCED C=CCn1c(-c2cnccn2)nn(CN2CCN(S(=O)(=O)CC)CC2)c1=S 764947067 OGBRRFYUARLGDL-UHFFFAOYSA-N 409.541 0.982 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 765156428 TVKFNJSVUFTKBO-ZJUUUORDSA-N 416.481 0.967 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C1CC1 767752566 JLKDHVBZDLYMGB-LJQANCHMSA-N 405.524 0.989 30 20 HCED C=CCOc1cccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 768249399 FMNLTGJLPSGUHH-SFHVURJKSA-N 414.549 0.886 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771439830 SFFRKCIWRDJDHA-HXUWFJFHSA-N 416.434 0.768 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCCOc3cc4c(cc32)CCC4)c(=O)n(C)c1=O 771892423 SDYKINRPVODKAH-UHFFFAOYSA-N 418.475 0.428 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCCOc3c(Cl)cccc32)c(=O)n(C)c1=O 771893328 ZIZYCEIIGRPDNH-UHFFFAOYSA-N 412.855 0.593 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 773412538 CZGHZYZYWHFFLV-QGZVFWFLSA-N 412.490 0.792 30 20 HCED C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 783440614 JVNSHHFBTOGVSN-QRTARXTBSA-N 405.476 0.762 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCC)cc1C)[C@@H]1CCS(=O)(=O)C1 783480001 NYLILRQBOWKCPV-OAHLLOKOSA-N 405.476 0.332 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCC1 784230771 RDLWEUAMEUXAEG-CQSZACIVSA-N 412.402 0.022 30 20 HCED CC(C)COC(=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787754807 PSMSJLFINQHLLU-UHFFFAOYSA-N 402.455 0.418 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)cc1 789611798 YGNAMMMJUUCBOR-YXDNYIMLSA-N 422.507 0.715 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)n1 789792867 BSUFXPDQWDGWAC-UHFFFAOYSA-N 410.413 0.927 30 20 HCED CC(=O)N1CCC[C@H](CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 794020732 RHBDOTQUJWRVNB-UKRRQHHQSA-N 406.508 0.878 30 20 HCED C#CCC[C@@H](O)CNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 798470118 VDVJVFNGDBARAN-IEBWSBKVSA-N 405.470 0.917 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc(N)o1 803149359 CDQVOHPTTYVORT-LBPRGKRZSA-N 406.468 0.464 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1)c1ccncc1 805807869 ODNSCADAYPFMQS-WMZOPIPTSA-N 401.511 0.874 30 20 HCED N#Cc1ccc(CNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)nc1 806567105 RRJWJTJELRPCOW-ZDUSSCGKSA-N 400.416 0.869 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 808797555 XJBAKALNHUEMDG-UHFFFAOYSA-N 416.297 0.868 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cncs2)CC1 809232584 ASGRNLOZDMRXFS-UHFFFAOYSA-N 420.472 0.705 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c1 813984892 FWYFMEZEMHLDRH-UHFFFAOYSA-N 413.415 0.524 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC)cc1 820268857 XILGLSUQHBTWCX-KRWDZBQOSA-N 401.444 0.507 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N([C@@H]2CCS(=O)(=O)C2)C1=O 914557402 PMPGDNNKTMDPQU-BXUZGUMPSA-N 411.505 0.950 30 20 HCED N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(=O)nc1O 1143235662 OKLFPDOHXPFENS-UHFFFAOYSA-N 417.372 0.473 30 20 HCED CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1296044989 HWKSQDBVKZAZMR-DAYGRLMNSA-N 410.519 0.964 30 20 HCED CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1322847105 QJKXFQIBGJRGFI-ISLYRVAYSA-N 406.464 0.470 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1326089989 KFUCIXLPKZGCMI-NHWLHPCLSA-N 402.451 0.070 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1476413632 UDISFJXSDPIOBF-WCQYABFASA-N 400.482 0.528 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)C1 1510291066 JSFXTTCQSJQKOG-DNVCBOLYSA-N 420.539 0.836 30 20 HCED CCN(CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1515575316 KUXNLFQMUKRPSD-HUUCEWRRSA-N 413.548 0.349 30 20 HCED CC(C)[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1598236799 REDIPUBXLAXBCH-LAUBAEHRSA-N 415.542 0.984 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(CCC#N)CC2)C1 1642915825 LALRFWVMKHJGQQ-INIZCTEOSA-N 408.528 0.485 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC(C)(C#N)C3)CC2)c1 1658479643 OEBQQELXZNVSPR-UHFFFAOYSA-N 404.492 0.568 30 20 HCED COc1ccc(CNS(C)(=O)=O)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 1661926927 OAJJVAXLDMYDRA-OAHLLOKOSA-N 407.496 0.948 30 20 HCED CN1C(=O)NCC12CCN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1686341484 KQNMWELGCAGMIQ-QGZVFWFLSA-N 410.478 0.858 30 20 HCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1711085485 JAVZJDJHKGQHMO-OAHLLOKOSA-N 417.495 0.286 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1711419738 KGTVONWBUQQHLF-LBPRGKRZSA-N 410.887 0.876 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 1712883243 VRWMSFYEEPYNSB-OAHLLOKOSA-N 406.512 0.446 30 20 HCED COCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1769792499 OJCFXQDXUVQEAF-INIZCTEOSA-N 424.571 0.888 30 20 HCED COCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cn1 1769875526 YLINGGIPXMVGNF-GDBMZVCRSA-N 421.527 0.810 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777931605 KPZUNOHRJIANRL-FOIQADDNSA-N 414.466 0.974 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1778968624 UXZRQIXYVDRQML-UTKZUKDTSA-N 404.511 0.903 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1778971085 IPBWCCZEIMJOCY-AAOPIFSGSA-N 406.527 0.861 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1779020658 VMSSNUGXXHWVOX-JLDPKJTDSA-N 404.467 0.687 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)c1 1779102506 ZLVSJJQRFJKFSK-SMHWIJLPSA-N 405.455 0.393 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138039 NSMWELXNEJXWFR-ONESAOPHSA-N 409.508 0.642 30 20 HCED CC[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779417713 JGZPZXSVBHQQNH-RXXAPRTGSA-N 411.499 0.800 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cnnn4)CCO3)C2)c1Cl 1780191996 ONIHWCJLHDMILK-GOSISDBHSA-N 415.841 0.342 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCc4nc(N)n[nH]4)CCO3)C2)cc1 1780697723 VFDIRBJDOHFCTE-HXUWFJFHSA-N 409.450 0.335 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781017776 DRNMGIZPVJHLIN-IERDGZPVSA-N 423.510 0.768 30 20 HCED CC[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171461 ZCEPORJJZOSRJP-WIYYLYMNSA-N 401.463 0.710 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CNC(N)=O)CCO3)C2)c(Cl)c1 1781977013 XMCXREAHZVCLSS-SFHVURJKSA-N 405.842 0.323 30 20 HCED COC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782395155 DJQTUGIAZVQPSF-SFIWVIFNSA-N 420.466 0.568 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCOC2)C1 1782687113 QBNMDOFLNYPRNB-AOTKNYSHSA-N 405.495 0.395 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)CCO2 1783558136 OJMKAUOKACEOFD-WIEQDCTASA-N 418.396 0.986 30 20 HCED CCOc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1O 1783563068 MMPADGOAVBOGSN-HXUWFJFHSA-N 402.403 0.322 30 20 HCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(N)=O)C[C@@H]32)c1 1783918502 GJVFCFLQLWTZFT-BZSNNMDCSA-N 413.478 0.139 30 20 HCED CC(C)(C)n1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cn1 1785621426 YODSGMULHBHTCL-BPUTZDHNSA-N 402.451 0.319 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788677903 KWAIQMMOKGBIMJ-JZPABERQSA-N 419.482 0.125 30 20 HCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)n(C(F)F)n1 1789336686 OESDWEQGQUBCGO-OBJOEFQTSA-N 410.377 0.268 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1)N1C[C@@H]2C[C@H]2C1 1789344819 WADDCHBSTDQIJL-KQFIUFIBSA-N 411.506 0.820 30 20 HCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4cncn4)C[C@@H]32)cc1 1789575198 BCCXVQAPMQDTJJ-FHWLQOOXSA-N 408.462 0.833 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3c(C)n[nH]c3C)[C@H]2C1 1789973077 UZHIJYZXGHFVCO-CAMMJAKZSA-N 402.495 0.587 30 20 HCED O=C(O)C#CC(=O)NC1(c2ccc(NC(=O)CNC(=O)C(F)(F)F)cc2)CCC1 1791624605 SFAQQMHNENGQSO-UHFFFAOYSA-N 411.336 0.887 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1792915968 HLTQWCFTSDMIDN-WGJIPCLCSA-N 411.499 0.512 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cccnc3n1)C2 1793344074 HPJZHSKQTYZIHM-RMRDIRSESA-N 408.458 0.871 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CC2)C3)CC1 1793605086 AYTJONZAKONTQZ-RDSHKEJNSA-N 403.479 0.859 30 20 HCED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(C#N)cc1)C2 1794226712 XTIULELJUGXKGJ-XEMDLRDOSA-N 408.462 0.523 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1 1795187172 CGKOHFLUUJCXCO-JABISNGYSA-N 413.474 0.513 30 20 HCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccn3n1)C2 1795275744 QQDBWTCMQKNDAU-RMFSNUHRSA-N 415.453 0.984 30 20 HCED CCOC(=O)c1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)ccn1 1795419991 NOKCEXBMEZMHRI-JLVBRIDZSA-N 400.435 0.765 30 20 HCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]n2)c(C#N)c1 1796031028 SCTWPWXGRRHBJY-JLVBRIDZSA-N 410.434 0.131 30 20 HCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)nc(O)n2)cc1 1796357295 FXKPMHNWUWYQHD-JLVBRIDZSA-N 423.429 0.471 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(C(C)C)n1 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HCED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)CN(C)C(=O)C(=O)O)CC2)C1 1806067086 GJUYESUQYVYBEQ-HNNXBMFYSA-N 413.540 0.715 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1807144947 FONFZXPNYGCNQU-GBESFXJTSA-N 410.522 0.897 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807600580 OXZJNKIPVMSUSM-ZIFCJYIRSA-N 412.494 0.952 30 20 HCED C=CCC(F)(F)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1812668122 LFKWMVHNZVCGJJ-GDBMZVCRSA-N 405.409 0.986 30 20 HCED COc1nn(C)cc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876081 AMWMBADKCOWFEA-KDOFPFPSSA-N 411.418 0.231 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880938 VBWQRSCCWIGQPC-KKSFZXQISA-N 409.446 0.758 30 20 HCED C=CCO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2C(=O)C=CC2=O)[nH]n1 1815219937 JXYZLXPQMHFVDK-UKRRQHHQSA-N 415.450 0.918 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CNC(N)=O)[nH]n1 1817321089 XFBUDEDCXPEGPM-CYBMUJFWSA-N 404.475 0.352 30 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0.049 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NC(C)=O)CCO2)C(F)(F)F 1831477588 JSNIBTZICOZHFK-QGZVFWFLSA-N 421.416 0.476 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1832447232 QZLKVFMSWQKHKJ-HNAYVOBHSA-N 413.540 0.277 30 20 HCED COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccn1 1832601105 XBJOXEQPXHPLGW-YWZLYKJASA-N 423.535 0.798 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cccnc1OC)CCO2 1833004943 PXTISPAPHZXNDB-JOCHJYFZSA-N 415.490 0.893 30 20 HCED CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833669762 LBILECQKHDLTEG-UHFFFAOYSA-N 403.527 0.730 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833842771 YOTYVHWCCWLYLN-OXQOHEQNSA-N 403.483 0.654 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834473065 MKIBXQCLDNIVFW-FOIQADDNSA-N 407.442 0.882 30 20 HCED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c(C(F)F)n1 1835342075 PJHDWVNMXXHVCN-IBGZPJMESA-N 423.420 0.731 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1835364556 YTWORKKLURKUHX-OAQYLSRUSA-N 411.462 0.796 30 20 HCED C=CCSCC(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835697697 MNUILTVWRISTDQ-UHFFFAOYSA-N 407.540 0.353 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)c1 1836139174 GCBBLJYDWZFSHC-NRFANRHFSA-N 424.461 0.228 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837164345 FPANEFQZOMWEOB-NRFANRHFSA-N 409.446 0.213 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1 1837357606 IOYZMMQHBFTCPL-FQEVSTJZSA-N 404.467 0.087 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1837396620 HOOBALDFJFXLNQ-GCJKJVERSA-N 417.506 0.654 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(CC)s3)CCO2)C1 1837718404 PSVAOXUMNGXFSV-YWZLYKJASA-N 421.519 0.814 30 20 HCED Cc1cccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733088 NEYLVPJWDLCWGE-NRFANRHFSA-N 409.446 0.974 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)c1 1838734812 LXCMGAVOSOFRNO-HXUWFJFHSA-N 411.418 0.371 30 20 HCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838906060 NUQXUKPBJHVSQM-NRFANRHFSA-N 417.462 0.291 30 20 HCED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362189 CCDCIRQOQFBMEK-OAQYLSRUSA-N 401.463 0.859 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn(C)cc4c3)C2)C1 1840163489 IQSGXTCAQGLNDU-XOBRGWDASA-N 418.519 0.962 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc1 1840813818 XILKPJUNCMLPII-OAQYLSRUSA-N 414.462 0.854 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NNc3ccccc3)C2)C1 1840840023 SCCKFIRWDWVQJA-AVRDEDQJSA-N 414.506 0.861 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840842474 HXCVOQKCBKXIMX-HXUWFJFHSA-N 402.451 0.149 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840886439 IWJNARROOVOBDZ-OAQYLSRUSA-N 421.494 0.726 30 20 HCED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)CC1 1842828153 SZEBFXZCPDWRDF-QCBCRBAMSA-N 421.542 0.356 30 20 HCED O=C(c1cc(O)nc(O)n1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282640 NHEZEEQVCRRMOC-UHFFFAOYSA-N 400.435 0.403 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C#Cc1ccccc1)C2 1844285582 NHADJLFMLWEYEF-IBGZPJMESA-N 412.442 0.736 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc(C#N)c1 1847469643 IZZCTMJFXVZZBS-LNLFQRSKSA-N 414.462 0.757 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)c1ccc[nH]1 1848178955 VFBFBXHQGXCELE-IRXDYDNUSA-N 416.478 0.846 30 20 HCED CC(C)NC(=O)CN(C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 17306612 QRKHCGWAYCKVCV-UHFFFAOYSA-N 409.512 0.552 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccnn2C2CCCC2)c1=O 31751593 KSSNQSJJYVNXQN-UHFFFAOYSA-N 400.439 0.494 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 409542052 BWVUZXUTBJRGSF-UHFFFAOYSA-N 404.496 0.933 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 409598197 UKIWWULLGNDBOY-HNNXBMFYSA-N 421.589 0.450 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1=O 430448803 IGSHJDAJMRDSJV-IIBYNOLFSA-N 417.437 0.992 30 20 HCED N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441946569 NJOJMPAXJMELAJ-OAHLLOKOSA-N 424.526 0.903 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)c1C 442292230 FFAIBGXNKCVQLI-KRWDZBQOSA-N 424.461 0.399 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)n1 442483012 LZUSGMOAICVFPS-QFIPXVFZSA-N 424.505 1.370 30 20 HCED N#Cc1ccc(NCC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)nc1 442963540 GHWOTUYSOMZBCG-UHFFFAOYSA-N 411.846 1.252 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CCC(O)CC3)c2)C1=O 444454990 QVKKLFGAARAYJV-UHFFFAOYSA-N 400.435 0.559 30 20 HCED C[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)CCN1C(=O)Cc1cccc(Cl)c1 462938949 BSSNPJPQHIENGI-CYBMUJFWSA-N 415.881 0.889 30 20 HCED Cc1ccc(C[C@@H](CO)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 467338085 YEJQKAJMBMDBFE-SFHVURJKSA-N 418.457 1.414 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CSCN3C(=O)C3CCC3)CC2)c1C#N 472272612 DPUWODODLYBNTH-MRXNPFEDSA-N 402.524 0.950 30 20 HCED COCc1nc2n(n1)CCC[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 472912363 ZGOYZEXRKZSPJX-OAHLLOKOSA-N 418.479 0.568 30 20 HCED Cn1ncc(C(=O)NC[C@H](NC(=O)c2cnn(C)c2C#N)c2ccccc2)c1C#N 475603604 NKYMLADOCRWITH-INIZCTEOSA-N 402.418 0.798 30 20 HCED Cn1cc(I)c(=O)n(CC(=O)Nc2sccc2C#N)c1=O 478079113 DZDSXUTXXVJAPY-UHFFFAOYSA-N 416.200 0.723 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1 482813404 PYEAMICTRXJFMU-UHFFFAOYSA-N 408.480 0.081 30 20 HCED N#Cc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c(Cl)c1 491586595 PCJROZXFLRRJQM-UHFFFAOYSA-N 416.825 0.844 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c1 503885766 PJFKZKHYXITHBL-HOCLYGCPSA-N 424.475 0.718 30 20 HCED C=CCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 508817453 NSBVGIIYXDDTID-GASCZTMLSA-N 410.544 0.818 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(C)n2)cc1 508987217 LQROFMOETUEKSP-LLVKDONJSA-N 406.468 0.736 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 514321757 MZBYJQVBEAEXDZ-INIZCTEOSA-N 417.485 0.573 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1C1CC1 514914123 HDQPGGXTANJMCS-UHFFFAOYSA-N 415.471 0.520 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)C1=O 516342641 RSZLCBHMGVZVAE-CZUORRHYSA-N 406.433 0.905 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 523347189 NUYFDZFHUMRBHK-UHFFFAOYSA-N 406.508 0.815 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccn2)c1=O 523476824 PNKBGSFBIHONAD-UHFFFAOYSA-N 424.482 0.754 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 523938915 LLJFJJKJPKJIMZ-UHFFFAOYSA-N 424.460 0.864 30 20 HCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 524281827 BROMUSKMGWMOOH-UHFFFAOYSA-N 410.499 0.265 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2nc(-c3cccnc3)no2)C(C)C)C1=O 524378292 MTEUXGSTFJZTDG-CQSZACIVSA-N 412.406 0.922 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C#N)cs2)c1=O 530654619 FOYZYJUIZJDYCM-UHFFFAOYSA-N 414.512 0.661 30 20 HCED CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)c2cccs2)CC1 530782764 WZIXVTKAPBRORH-HNNXBMFYSA-N 415.523 0.902 30 20 HCED Cc1oc(NC(=O)[C@H](C)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C#N)c1C 533057377 LQSGRNNIFFXOIQ-RCBQFDQVSA-N 410.496 0.183 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(N3CCOCC3)n2C)CC1 537069770 FIDDVLITGMCMFG-HNNXBMFYSA-N 407.544 0.436 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)c3cnccn3)n2)c(F)c1 543962710 GAQVQILNKVEEDH-UHFFFAOYSA-N 422.380 0.158 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)C1=O 544725150 ALJVIEWDLKLILK-GFCCVEGCSA-N 422.429 0.725 30 20 HCED CN(CC(=O)N1CCOC2(CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 546008190 PIYGRVWHAMKANP-UHFFFAOYSA-N 407.492 0.977 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2OC(F)F)CC1 550985775 KCMISABNTBGFRP-CQSZACIVSA-N 424.448 0.912 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OCC 554971863 CUFNGPMZBVMLKG-UHFFFAOYSA-N 418.435 0.867 30 20 HCED N#Cc1ccc(NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1F 554991632 NLALRHDRWQOPGB-UHFFFAOYSA-N 411.459 0.860 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 555260218 MDVXEJWJYGXIPX-UHFFFAOYSA-N 412.498 0.813 30 20 HCED C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 555420991 XQPWQANUACXQOI-XOKHGSTOSA-N 410.471 0.936 30 20 HCED COC(=O)[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 556831252 ATJUFUYWNVKPET-KRWDZBQOSA-N 401.444 0.737 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCSC1 559865181 FZRWJGGSVGVXTO-IBGZPJMESA-N 402.524 0.155 30 20 HCED CN(Cc1nc(-c2cccnc2)no1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 561406143 NRXIWDCZWSYZEW-UHFFFAOYSA-N 412.431 0.940 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)C2=O)cc1 561704815 UHLZVGYALAXRPI-KRWDZBQOSA-N 409.446 0.003 30 20 HCED C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)(F)F 564515738 BTCAUFGMNMOOMS-LBPRGKRZSA-N 404.414 0.932 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCCN1Cc1ccccc1 566638070 ODMLOXUTICHCJM-QGZVFWFLSA-N 423.521 1.035 30 20 HCED Cc1ccnc(-n2nccc2NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 566892091 CIIXFXMFOVLUIW-UHFFFAOYSA-N 407.438 0.782 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(C(C)C)cc2)CC1 573342808 HZJOHWDSSQDBCM-UHFFFAOYSA-N 400.523 0.915 30 20 HCED CCn1nccc1N1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1=O 574737363 HEECHGGYNRUEIP-OAHLLOKOSA-N 413.486 0.850 30 20 HCED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 581161988 AXJQPTGAWUYQQS-LJQANCHMSA-N 414.422 0.286 30 20 HCED COC1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCOCC1 588645218 FFVHUCWHRMGZQN-UHFFFAOYSA-N 400.479 0.514 30 20 HCED C=C1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 594848085 NIQAPWQLANKPBM-MRXNPFEDSA-N 400.522 0.947 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2F)c1=O 603797044 WXJZFRPITUMXGO-UHFFFAOYSA-N 407.442 0.864 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)cc1 604682217 ALFNMUBWNQBFSZ-LJQANCHMSA-N 413.522 0.779 30 20 HCED C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 610388118 BYRMYAFIZGKRSE-RFKJWAKASA-N 423.473 0.589 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN3CCNC(=O)C3)cn2)c1 611613498 PQEPSUVGJNHTEE-UHFFFAOYSA-N 408.418 0.232 30 20 HCED COCC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 726300521 LRFGWWYZLAGREF-IQQDNESTSA-N 410.496 0.979 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 729256910 MBQWRTLTTYKPQG-UHFFFAOYSA-N 413.446 0.580 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O 729675204 URANKSWQYGCMGA-UHFFFAOYSA-N 404.513 0.683 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OC2CCCC2)nc1 737304800 BYSKMZKISYPQBM-ISLYRVAYSA-N 413.434 0.984 30 20 HCED C#CCCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 744370761 AXGYHKYPGPDCEF-UHFFFAOYSA-N 405.476 0.259 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1 746500153 RZKWXNQJHOWKCZ-UHFFFAOYSA-N 424.954 0.424 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 747993881 SRJJOVFURLJRIG-UHFFFAOYSA-N 410.474 0.849 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749870749 UXKFZANGCZPFQS-CQSZACIVSA-N 415.519 0.190 30 20 HCED CCc1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)s1 752190763 MMUCNABSEGMIFO-UHFFFAOYSA-N 416.528 0.625 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 757301561 XDIYBWIMKHZTMZ-GXTWGEPZSA-N 411.455 0.610 30 20 HCED CC1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OCCO1 759339560 ZANHFGATMVXYFR-UHFFFAOYSA-N 408.480 0.727 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)n(C)c2n(C)c1=O 762299010 QKZFSCIAUZXHQA-QGZVFWFLSA-N 407.430 0.661 30 20 HCED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771579660 SEQXLAPPLWTYGF-BDJLRTHQSA-N 407.224 0.671 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 771581970 IBPXKAZEPFAGAI-XCLFUZPHSA-N 416.434 0.324 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 772232193 XQCZPQAMSZYZCQ-LBPRGKRZSA-N 409.443 0.819 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1F 782905849 PXLDHLCRYLJNMK-UHFFFAOYSA-N 406.414 0.625 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2c[nH]c(C#N)c2)CC1 786903188 HZVRVCUWBPMNOP-UHFFFAOYSA-N 421.435 0.181 30 20 HCED Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)cnc21 787063639 XHXWGMJSCTVUMF-ZDUSSCGKSA-N 409.362 0.063 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)c1C#N 788537106 QXGSQCZXIGORON-DLBZAZTESA-N 409.450 0.220 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(CNC(C)=O)cc2)n1 789788815 WJQKOHNXDHCSDX-UHFFFAOYSA-N 411.462 0.766 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 792447577 YXLPNPHCVQRMEL-AWEZNQCLSA-N 407.496 0.020 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 798073849 NGPMSFLGLWVFOL-UHFFFAOYSA-N 407.489 0.346 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 799081142 HEYVZMOGYBKZSB-HZPDHXFCSA-N 414.911 0.764 30 20 HCED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 802432968 KIRKGPDMYKIODY-UHFFFAOYSA-N 409.450 0.984 30 20 HCED C=CCNC(=O)CNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803049126 NLCZISCHFLXAGJ-UHFFFAOYSA-N 403.501 0.219 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 807356697 GAURNPWYWWVALI-XCLFUZPHSA-N 416.409 0.755 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1)[C@H]1CCCO1 809308889 BSSAWMXVEHREKN-RBUKOAKNSA-N 413.474 0.206 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC(=O)N(c2ccccc2F)C1 812564371 UDKYWBBRHXSKNV-LBPRGKRZSA-N 416.434 0.786 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 813261013 BBXLLPPJPJYVFJ-UHFFFAOYSA-N 407.415 0.816 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 814546922 NVGOENVCWYPVRP-INIZCTEOSA-N 412.464 0.008 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(CCOCCC#N)C2)CC1 815072470 MNYXMKMLNOWXEI-UHFFFAOYSA-N 402.517 0.483 30 20 HCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)CCC#N)c1 846752444 OPIMTOISFQLDGZ-UHFFFAOYSA-N 406.464 0.781 30 20 HCED O=C(NO)c1cc(S(=O)(=O)N2CCOCC2)ccc1I 916039950 LOFLEGRLXIAVKB-UHFFFAOYSA-N 412.205 0.431 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 967219820 WJZIKNNSIVIALA-MIDILNBFSA-N 415.534 0.746 30 20 HCED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1111019781 NYXRZQQHZIWGNG-DFBDCSAJSA-N 404.511 0.180 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1158764535 UBWBZTHYUOPSMQ-JKSUJKDBSA-N 412.471 0.644 30 20 HCED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CC1 1185057999 RNVZJUKWKMLYOJ-CQSZACIVSA-N 415.512 0.974 30 20 HCED CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1286908119 YCVDXZINAQJYGT-UGKGYDQZSA-N 423.521 0.988 30 20 HCED CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1298670002 YWGBJQSOBKAFHA-STQMWFEESA-N 415.420 0.842 30 20 HCED Cn1ccnc1[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1F 1304757435 NXHSCRRYBHROSA-HNNXBMFYSA-N 400.345 0.738 30 20 HCED CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)C1 1314926800 IVBBSIYLORFZEJ-PMACEKPBSA-N 401.515 0.597 30 20 HCED N#CCSCC(=O)NCc1cccnc1N1CCN(C(=O)CSCC#N)CC1 1322711278 NPWTZVBFFHXWOG-UHFFFAOYSA-N 418.548 0.860 30 20 HCED CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 1451224232 NNSHNHNHKHECLY-UHFFFAOYSA-N 402.480 0.745 30 20 HCED CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1606967318 ZMYSIWILRBXGED-UHFFFAOYSA-N 400.491 0.738 30 20 HCED Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 1612470388 SCXUAULJIDJYCP-CXAGYDPISA-N 407.475 0.712 30 20 HCED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 1641802453 FUZKYZZXXWSCPE-AWEZNQCLSA-N 411.466 0.189 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1643098685 UCKNMXBLJBNGMO-IJEWVQPXSA-N 409.508 0.199 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](N4CCOCC4)CC3)CC2)o1 1645610086 WQMRHYMXNLPHJM-SFHVURJKSA-N 416.526 0.690 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698304295 OJPRDKSXJPYRHD-MRXNPFEDSA-N 415.523 0.951 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1706075554 PISFKSKYOZJCIJ-ZIAGYGMSSA-N 423.499 0.485 30 20 HCED Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1707500380 RKPHYAAZZCKZNG-HOCLYGCPSA-N 418.523 0.974 30 20 HCED COC[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749319822 RUQYCDCVNAQTBN-DOTOQJQBSA-N 401.515 0.860 30 20 HCED COCCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cn1 1769875528 YLINGGIPXMVGNF-HOCLYGCPSA-N 421.527 0.810 30 20 HCED 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30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1 442317975 FNWFNKMMXKLNAG-UHFFFAOYSA-N 412.377 0.855 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 442498095 VORLCIBYIWPDDL-AWEZNQCLSA-N 410.434 0.941 30 20 HCED CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cc(Br)cc(C#N)c1 443464626 FKNZULZDXMAQRT-UHFFFAOYSA-N 404.242 0.360 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(CCC#N)CCN1CCOCC1 462107418 ZVRMNGRTPYNKIW-UHFFFAOYSA-N 408.466 1.527 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462107442 HFIXJVQZFHGLQJ-UHFFFAOYSA-N 408.466 0.899 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)N(C)C)c3c2)C1=O 465151094 MAKYIDCUAJMUAW-UHFFFAOYSA-N 411.418 0.645 30 20 HCED COCc1nc2n(n1)CCC[C@@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 472912362 ZGOYZEXRKZSPJX-HNNXBMFYSA-N 418.479 0.568 30 20 HCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)cc1 478851867 HUXALODEIAVNJI-OAHLLOKOSA-N 412.467 0.732 30 20 HCED C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CN1CCOCC1 480481172 IODPVCVCGCTCMX-LJQANCHMSA-N 409.508 0.577 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 487988993 OWXYHMWKWBYOGV-SFHVURJKSA-N 408.524 0.547 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 505622410 ONQLJZSREMQRSA-IRXDYDNUSA-N 416.503 0.242 30 20 HCED C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 507542258 AYYZUSNARNZNAU-HOTGVXAUSA-N 405.524 0.764 30 20 HCED Cc1cc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)nn1CCC#N 507714126 ACBHGGHFYHPNBX-UHFFFAOYSA-N 418.479 0.724 30 20 HCED COCCOc1ccc(Br)cc1NC(=O)C(=O)NCC(=O)NCC#N 509019085 ZRRGRJYICQFANH-UHFFFAOYSA-N 413.228 0.169 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 512939590 FXNDEZYCBZBYOI-GOSISDBHSA-N 405.524 0.399 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 513271188 COSPDBWEERNEOU-UHFFFAOYSA-N 405.451 0.957 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2CC)cc1 518060903 KOPDLFUIGRSIIU-HNNXBMFYSA-N 408.480 0.169 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 531557275 CSZFBWQEGRLRNA-OAHLLOKOSA-N 412.487 0.738 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)Nc1ccccn1 532207599 UHBZUMVDHHGTNM-CYBMUJFWSA-N 401.448 0.765 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCN1CCN(C)CC1 532449367 ADSNNTVKTSHKQI-INIZCTEOSA-N 407.540 0.369 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CCO)COC)nnc12 532686516 FCRRZJIGDIBFSF-ZDUSSCGKSA-N 417.491 0.836 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 536342602 BJMIJLAWPXCKIQ-UHFFFAOYSA-N 413.438 0.847 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)c1C 536423134 XPBOCWYRDKAUNG-NSHDSACASA-N 403.464 0.849 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCC(=O)N2CCOCC2)CC1 539570712 QQLJNTPICIKBMV-UHFFFAOYSA-N 408.462 0.797 30 20 HCED N#Cc1ccc(CN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C2CC2)cc1 543244434 GKSKTKYNYIAPHF-HXUWFJFHSA-N 416.547 0.854 30 20 HCED CCS(=O)(=O)NCCCNS(=O)(=O)c1cccc(Br)c1C#N 550431427 GVNVANBMJCDIHK-UHFFFAOYSA-N 410.315 0.928 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 550993364 RHZMEDVHUXDGQM-UHFFFAOYSA-N 411.418 0.590 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)N(C)c2ccccc2)CC1 551024433 ZXSXQUWBWFRHDB-KRWDZBQOSA-N 401.511 0.074 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)NCCN(C)C)CC2)CC1 557433300 GDPOBNPXVQAKMC-IBGZPJMESA-N 406.575 0.069 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 559545189 SJYKNVNRBRYALY-UHFFFAOYSA-N 419.488 0.554 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 559657966 SNANGVMXTBRRON-UHFFFAOYSA-N 409.449 0.220 30 20 HCED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 587641930 YCURIELGPPDKLQ-INIZCTEOSA-N 421.505 0.863 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 608889412 NPXQBUHPADMCIC-UHFFFAOYSA-N 400.460 0.691 30 20 HCED N#Cc1cc(N2CCC[C@H](C(N)=O)C2)cc(N2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] 609849806 WNEXQHRQINZRDV-QWHCGFSZSA-N 400.439 0.870 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 614195540 DVMXUVQIYCZOKJ-OAHLLOKOSA-N 410.438 0.711 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 615255331 FZLSSRYWSDSCDD-UHFFFAOYSA-N 415.494 0.330 30 20 HCED CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(C#N)cc2)NC(=O)N[C@H]1C 727010512 BNHYXTCICLEVCT-NSHDSACASA-N 400.391 0.350 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 728590196 WDMYBUPQBSDUGU-UHFFFAOYSA-N 407.389 0.900 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 729256601 CFPZYGNSAVXFML-UHFFFAOYSA-N 421.505 0.434 30 20 HCED C[C@@H](NC(=O)OCc1ccccc1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910317 OHXXGXOCWQADKA-UKRRQHHQSA-N 407.448 0.267 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 739155558 RGMOFEXIWYPUIG-GFCCVEGCSA-N 421.413 0.910 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 739720431 OYVNIGWOGMCACO-IRXDYDNUSA-N 406.527 0.964 30 20 HCED COC(=O)c1ccc(NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741340458 FDXNWHUDHPVFEZ-ZCXUNETKSA-N 401.375 0.871 30 20 HCED CC[C@@H](OC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 744636049 QRPYRTVFCKQROR-OAHLLOKOSA-N 409.464 0.359 30 20 HCED Cc1cc(N(CCC#N)C(=O)COC(=O)c2cn(CC(N)=O)nn2)ccc1Cl 745473186 QZXZPCZRAFJNBQ-UHFFFAOYSA-N 404.814 0.829 30 20 HCED COC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)[C@H](C)C2)cc1 746384135 FSQDRERPJIAEHG-CQSZACIVSA-N 410.434 0.869 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 749667322 QVBJIUMAJQYGGU-UHFFFAOYSA-N 401.467 0.540 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)C)c2=O)c[nH]1 753356411 CIECDUPJUGPWDP-UHFFFAOYSA-N 414.487 0.462 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1(CS(C)(=O)=O)CCC1 753389441 SKCWZLSAGRWLKN-ZDUSSCGKSA-N 414.505 0.983 30 20 HCED C[C@H](CC(=O)NCc1nnc(C2CC2)n1C)/N=C1/NS(=O)(=O)c2ccccc21 758544327 LZMMWVHUBRUIRS-LLVKDONJSA-N 402.480 0.826 30 20 HCED COC(=O)[C@@H](CC(F)F)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 762358141 OSMVQARQOYDYHR-LLVKDONJSA-N 403.407 0.818 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 763423773 LNPWHWZPZFXQDW-CQSZACIVSA-N 409.406 0.439 30 20 HCED C#CCC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 767644920 REGXGMCKWUSZML-UHFFFAOYSA-N 411.480 0.717 30 20 HCED CCCCNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680071 KSFHMTPEDHKGLH-GFCCVEGCSA-N 410.452 0.394 30 20 HCED COC(=O)C[C@]1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 771653189 HEDBYUAPEBHSEW-ORAYPTAESA-N 423.491 0.732 30 20 HCED COC(=O)C[C@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCOC1 771654132 JNZASPFTBAFFHT-FZKQIMNGSA-N 409.464 0.454 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3nc(O)n[nH]3)nnc12 774879371 CIYHPWXUJNTHSK-UHFFFAOYSA-N 413.419 0.889 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CSc1nnnn1CC(F)(F)F 781595913 MVGIQOMTNYDMFL-UHFFFAOYSA-N 424.361 0.843 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 782986260 BACHKQITZSIGPY-UHFFFAOYSA-N 417.431 0.196 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCC2)cc1OC 784198325 ICSOYXCXHIIRFW-UHFFFAOYSA-N 411.436 0.088 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 787268941 JNUKSUDXOPUTBY-XJKSGUPXSA-N 414.466 0.507 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)n1 789788400 JNMUJTNACSQWSM-UHFFFAOYSA-N 412.372 0.889 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 800623976 GJTZPRMAQQFNFY-UHFFFAOYSA-N 413.478 0.572 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 800944445 PSKKDURBRNSDDH-INIZCTEOSA-N 408.480 0.811 30 20 HCED C#CCn1cc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cn1 807941942 AWBCPOFDDLFTFC-SFHVURJKSA-N 406.446 0.682 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CCS(=O)(=O)CC(=O)OC(C)(C)C 808734227 PHVAVUNLZJMQCL-AWEZNQCLSA-N 409.512 0.615 30 20 HCED CC[C@@](C)(CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 821572470 GBHGIMZVFAEUPR-IGCAKMCNSA-N 410.496 0.715 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC(C)(C)CCO)c1 821573915 JXRRNHFNEILKJS-RCCKNPSSSA-N 410.496 0.715 30 20 HCED COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 843480262 GKSUMESICUVZKZ-XIKOKIGWSA-N 409.464 0.714 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@@H](CCS(C)(=O)=O)C2=O)cc1C 913607219 QDDONYVZJNTARZ-INIZCTEOSA-N 420.491 0.905 30 20 HCED CC(C)C(=O)NC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 915601226 IFSBAWZKCKIXLM-UHFFFAOYSA-N 406.508 0.878 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)cc1 917036341 ZBUJPRAIAUVGFZ-QGZVFWFLSA-N 405.414 0.868 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 917102323 TYQXMQZUXPFVGP-DZGCQCFKSA-N 417.491 0.915 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)Cc2ccccc2)c1 917118850 ITQKXSIEJLXMGW-UHFFFAOYSA-N 420.512 0.943 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1ccc(O)nc1=O 1003837485 RLNNNXJWKWMHQA-SUJAAXHWSA-N 402.451 0.178 30 20 HCED COc1ccc(C#N)cc1CN1C[C@H](O)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1083662897 NYSHRNDYTBOCEC-HBWRTXEVSA-N 401.463 0.280 30 20 HCED CCS(=O)(=O)c1cc(Cl)cc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c1 1212176836 IMKYJFDBMYLTRK-CYBMUJFWSA-N 407.901 0.692 30 20 HCED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1298155826 XJIWHEUDNLGBQY-WBMJQRKESA-N 402.432 0.651 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1300155763 WOEINIXMHCCHQR-UHFFFAOYSA-N 422.551 0.983 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1302978669 JZMDHASLAZCQJV-FQEVSTJZSA-N 411.441 0.861 30 20 HCED CN(C)C(=O)COc1cccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1318719067 QPSSBGIEOKBMJS-VHEBQXMUSA-N 415.450 0.479 30 20 HCED Cn1ccnc1N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1319534833 KYYDWWNCJLOGPC-KRWDZBQOSA-N 421.461 0.846 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)OC)nn2-c2ccccc2)CC1 1326327392 QMRWNJATIOWEOB-UHFFFAOYSA-N 409.446 0.166 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(OCC)cc2)CC1 1343551437 CEPDXYQPMNROBF-UHFFFAOYSA-N 407.492 0.352 30 20 HCED CC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1359365701 JTZVIIDZHKIQCJ-KXBFYZLASA-N 403.462 0.930 30 20 HCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1359397122 UIFNUQNGFHPSBM-UHFFFAOYSA-N 421.465 0.689 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(N3CCCS3(=O)=O)CC2)CC1 1460233623 LQQHTGFTTQJJIE-GOSISDBHSA-N 411.572 0.179 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCn1cncn1 1499330626 XKERZYAXGVOMRP-KRWDZBQOSA-N 421.465 0.735 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCn2cncn2)cc1 1505320498 ZZZYINRPMJXOGO-UHFFFAOYSA-N 407.438 0.347 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)C1 1510291061 JSFXTTCQSJQKOG-BEFAXECRSA-N 420.539 0.836 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1521063809 VGTLWQXACBENEV-GUYCJALGSA-N 410.475 0.496 30 20 HCED 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CC1=C(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CCO1 1836271373 ANMGSFNCLVHIHI-FFCJBUTOSA-N 417.462 0.849 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)CCO2 1836643642 HEQBGFIUBQFLTG-REWPJTCUSA-N 410.470 0.860 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836973653 YOJYBNOXHPVHFT-OAQYLSRUSA-N 416.478 0.539 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837399256 PHCRXTHZAQLFBE-UWJYYQICSA-N 419.478 0.430 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1837404745 BUYBSMRRGXFICO-XVZLWQPHSA-N 410.467 0.047 30 20 HCED CO/C=C(\C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444286 WDQORFSDPPPNHM-UFGNKTNWSA-N 408.499 0.465 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837561625 YQAMTRZKYITKMJ-XACCNFBGSA-N 413.434 0.259 30 20 HCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837741279 MPJFAUJDPIMAFP-HRAATJIYSA-N 413.478 0.642 30 20 HCED CCc1nc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)co1 1838138668 DWESXCJWYLGJQW-FQEVSTJZSA-N 413.434 0.821 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839038629 RZKZFQWTDALHMR-PZJWPPBQSA-N 417.437 0.093 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839224323 IQODRQPHGXRYTL-OXJNMPFZSA-N 421.498 0.220 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1 1839225357 HCTVKCUUPHITNO-VIPLHTEESA-N 411.499 0.811 30 20 HCED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1839831039 XCAPAQRVTIPEJD-OAQYLSRUSA-N 415.446 0.616 30 20 HCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1C 1840069954 ORFFWAIOHQFKQS-NRFANRHFSA-N 401.463 0.916 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1cccnn1)CCO2 1840411367 OXCBJQQELCSCEQ-OAQYLSRUSA-N 416.478 0.505 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484354 NCAXBHXPLMKNNU-ABQVSZSXSA-N 420.535 0.901 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCCn4ccnc4)C3)C2)CCC1 1840815672 DDSNZNYJURIZCS-OAQYLSRUSA-N 415.494 0.814 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840843012 OIEBMJZQQBKHHT-LJQANCHMSA-N 415.475 0.570 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2 1841056235 ZALSZQHUODJNKP-WHLNPGIBSA-N 420.510 0.961 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 33016393 KEBCXDMGIWFXEA-CQSZACIVSA-N 419.463 0.879 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2ccc(Cl)s2)c1=O 60892091 CVBRJIGVXMHZCR-UHFFFAOYSA-N 410.883 0.917 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1 409500995 NYBICYIEBODPII-UHFFFAOYSA-N 414.532 0.592 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(CN2CCN(C)CC2)cc1 409547684 KSBVXFWPUDLAGK-UHFFFAOYSA-N 409.556 0.630 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)CCO1 410133124 FZWLAXFHIXEBEP-CQSZACIVSA-N 404.452 0.780 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410201919 YXSNNPASTWBTOV-HZPDHXFCSA-N 423.543 0.208 30 20 HCED CCN(C(=O)[C@H](C)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@H]1CCS(=O)(=O)C1 428811492 VGDHCHSNEYZJAJ-XIRDDKMYSA-N 406.508 0.830 30 20 HCED NS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 437348125 QTFLFUZTDLLZNJ-GOSISDBHSA-N 412.471 0.699 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 438064372 FEPJCDWCLFMVCP-CXAGYDPISA-N 410.496 0.814 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 439544375 CDSFNDSJMRMGOE-RHSMWYFYSA-N 400.435 0.448 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CCO1 439738589 JUJGTGIBJXIIMH-GFCCVEGCSA-N 424.255 0.370 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 443360109 VOXKKZJCBJLNED-CYBMUJFWSA-N 407.414 0.891 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](OCCN2CCCC2)C1 443815811 XJYYNOMCPRBSIW-WMZOPIPTSA-N 420.535 0.938 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 444532623 UYEIBXALYXXTMG-UHFFFAOYSA-N 422.898 0.572 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)cn1 460611783 LWMMEDJAVUATEI-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 468067043 AXHMVIYHLWCZMR-LBPRGKRZSA-N 413.356 0.968 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 477587457 CPYOKHYCTAXCCR-KRWDZBQOSA-N 414.553 0.308 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H]2CN(C)CCN2C)c(C#N)cn1CCOC 481382169 YUJTXXWYESOKDZ-OAHLLOKOSA-N 406.487 0.550 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482236389 GWAGVWFJSOHUHY-XPKDYRNWSA-N 409.464 0.404 30 20 HCED COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cnn(C)c2C#N)c(O)nc1=O 483081497 XZRRJPHNYUVMFN-UHFFFAOYSA-N 423.433 0.630 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCOC[C@H]2OCCOC)cc1 486734300 UJQJHPWNVNTSBV-DLBZAZTESA-N 420.466 0.869 30 20 HCED N#Cc1cccc(-c2cnc(CNC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)[nH]2)c1 493912133 WDWNJTMCICCGPQ-OHDICMOHSA-N 405.414 0.727 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC(C)C)CC1 495334486 AQRYWDHVNLIWKM-UHFFFAOYSA-N 406.458 0.998 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 497237551 SOTHMKDOKHBQCE-OCCSQVGLSA-N 411.505 0.732 30 20 HCED CCOc1ccc(-c2cn(C3CN(c4c(C#N)c(=O)n(C)c(=O)n4C)C3)nn2)cc1 500922871 HVFGOEKIOQTEGP-UHFFFAOYSA-N 407.434 0.674 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2C)c1=O 502047143 ZWENOQNXPGHKKY-UHFFFAOYSA-N 403.508 0.099 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)c3ccnc4c(C(N)=O)cnn34)CC2)cc1 502276729 HTUDZAJTWDJJLY-GOSISDBHSA-N 419.445 0.859 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1C 504088632 SBLPVKYNZMYWQX-UHFFFAOYSA-N 423.477 0.092 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(C)cnn2C)c1=O 505695619 VMYGXXNTHZXTCQ-UHFFFAOYSA-N 417.535 0.408 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)NCCOC)c1 508788105 BYJSLLANJQOSDC-OAHLLOKOSA-N 416.521 0.427 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)s1 509334882 ODZZRPHKNQPGDS-MNOVXSKESA-N 418.483 0.929 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 509935554 VQDGSHKXSJQZBO-OAHLLOKOSA-N 411.503 0.933 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 510241522 XIIZXXOBWLUKAL-UHFFFAOYSA-N 403.347 0.175 30 20 HCED N#C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCO1 521582505 OYLWNFGNIQJZDL-JTQLQIEISA-N 413.399 0.440 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)C1=O 524553527 OBMQBJFKGVFOAI-CQSZACIVSA-N 400.435 0.995 30 20 HCED COc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 525901176 HWWRLSOQZNQJAP-KRWDZBQOSA-N 420.429 0.995 30 20 HCED C[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 527505310 TUVINXJPNFHULY-YJBOKZPZSA-N 408.499 0.653 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1Cc1ccon1 532448636 YWQARBQTDBVLAH-UHFFFAOYSA-N 410.455 0.342 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 534099159 HZXGIJBPYPBDRW-UHFFFAOYSA-N 409.494 0.937 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 535287914 MACAFCXEOWAZFK-UHFFFAOYSA-N 411.480 0.355 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(C)nn1CCC#N)Cc1ccc(O)cc1 541359533 ZNNGBWPBEDORNC-OAHLLOKOSA-N 413.434 0.897 30 20 HCED Cc1ccn2cc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)nc2c1 563946890 JDBARWTUCXGPIT-UHFFFAOYSA-N 403.446 0.874 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1S(N)(=O)=O 564460800 IBNHLDTZBBVBER-UHFFFAOYSA-N 420.422 0.651 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 567269866 BAJPHEJQJCZHQL-KDOFPFPSSA-N 424.379 0.696 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)n(CCC#N)n1 575812103 UNPKKSWIQUWVCP-HNNXBMFYSA-N 401.471 0.648 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 581856444 UKEAMUJBRRGTFB-HNNXBMFYSA-N 402.480 0.355 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1=O 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20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 742684773 SBMLQPNKUMCRKZ-SMOSDQRPSA-N 409.442 0.299 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)CC 744243970 ZCHNTDFCKAOYHJ-CYBMUJFWSA-N 416.525 0.597 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 747742712 XIRKPJONHHKHBR-UHFFFAOYSA-N 404.448 0.774 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)CC1 748817068 IRXDAJGGTXZTHX-HXUWFJFHSA-N 412.534 0.684 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750368168 XXHPJEQIIGFYGQ-SZNDQCEHSA-N 414.462 0.917 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 753890187 OGJXYLZJKZMNOL-ZDUSSCGKSA-N 409.464 0.183 30 20 HCED CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 758775038 IWRBLMZLIWSJCM-MGPQQGTHSA-N 400.501 0.964 30 20 HCED CN(CC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)C1CC1 759216604 NOJDLJGGYVLQQR-QGZVFWFLSA-N 413.434 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424.457 0.655 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 60507643 MOJNFZSFAQLRIQ-INIZCTEOSA-N 407.496 0.595 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 409508070 LFCUMBNOHRKXDW-CYBMUJFWSA-N 416.525 0.384 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 410158167 DHTLJHOKMNGDQB-GFCCVEGCSA-N 421.570 0.484 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)C(=O)CCc1c(C)nc(O)c(C#N)c1C 410172929 UNRVZSJNYIJZJH-UHFFFAOYSA-N 417.510 0.457 30 20 HCED COCCN(Cc1ccccn1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 437295059 OIKWBZZZQSEOMN-UHFFFAOYSA-N 419.445 1.207 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 437477734 HARMLFZDGDSVEW-DNVCBOLYSA-N 411.524 0.976 30 20 HCED Cc1ccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)cc1S(=O)(=O)NCC#N 439056667 OFHLMOFTAUQJPP-QGZVFWFLSA-N 422.507 0.410 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)C1=O 440277968 CYNGUKVPYQEGKD-MRXNPFEDSA-N 409.446 0.835 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442021687 ANRZEAQIVUSZNA-AWEZNQCLSA-N 420.385 0.447 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1OC(F)(F)F 443340648 ARPYVERSYDLOMF-SNVBAGLBSA-N 411.296 0.158 30 20 HCED N#Cc1ccccc1CSCCNC(=O)N1CCN(CCS(N)(=O)=O)CC1 443472985 JPBJCYTYOLYRTR-UHFFFAOYSA-N 411.553 0.407 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)cnn1-c1cccc(C#N)c1 443709880 QHDWOEUWGLDILG-GOSISDBHSA-N 424.461 0.608 30 20 HCED CN(CC(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1)S(=O)(=O)c1ccc(C#N)cc1 477664640 JMAQCLONSOLVIN-APWZRJJASA-N 416.459 0.926 30 20 HCED N#Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(Br)c1 481086365 DDWDOVRZHWGJQM-CVEARBPZSA-N 414.325 0.908 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3C(=O)[C@H]4CS(=O)(=O)CCN4C3=O)C2)c(F)c1 484443489 HAYIQUIDSJMZNC-CZUORRHYSA-N 406.439 0.727 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 487532097 TYNKMNFISPSNEX-UHFFFAOYSA-N 420.535 0.531 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)nc1 488400141 RQUXMIHTYBSIGW-INIZCTEOSA-N 411.466 0.901 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)cc1Br 498212547 ZNHFAOWBQHOZPP-UHFFFAOYSA-N 409.240 0.658 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCCNC2=O)cc1 505341835 HVKIKNUOEOFFOF-HNNXBMFYSA-N 408.480 0.217 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 510607344 OHGZZXKHMOBTMI-UHFFFAOYSA-N 404.412 0.287 30 20 HCED CS(=O)(=O)N[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 522629844 JFTMGZRQVYOGNN-CABCVRRESA-N 409.487 0.999 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1Cc1ccon1 532193770 SIWCNQMJHYCYLK-UHFFFAOYSA-N 410.455 0.342 30 20 HCED C=CCCOCCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 535313625 NPHABTVXTYPFRV-UHFFFAOYSA-N 412.508 0.968 30 20 HCED CCc1nc(CN2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)no1 538148823 LCLDXLJQBQBQTE-QGZVFWFLSA-N 403.531 0.442 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 539691090 GEMLEMGMRCUABH-KBPBESRZSA-N 402.451 0.293 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)N3CCNC(=O)C3)cc1)CC2 550521072 ZSNDIRZJYPBWIY-UHFFFAOYSA-N 410.455 0.882 30 20 HCED COCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 552622925 SCHPQROIEHDOLE-MRXNPFEDSA-N 405.474 0.477 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1 552736133 LCODQNDJVLMRNF-SUNYJGFJSA-N 414.487 0.999 30 20 HCED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 554813851 DLOPKTXIDTXPNP-UHFFFAOYSA-N 409.494 0.777 30 20 HCED CN1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc2)CC1 554960345 MUKQEJQNUKSPBS-UHFFFAOYSA-N 414.491 0.622 30 20 HCED COc1ccc(CN2CC[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C2=O)c(OC)c1 561548897 QNIBLJDPEPGMSH-CJNGLKHVSA-N 410.496 0.731 30 20 HCED C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 562474302 HGJDVTDWZGVMBL-CRAIPNDOSA-N 415.494 0.957 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(CCN3CCOCC3)CC2)cc1 564437220 ARXWSVFFDOCTNJ-UHFFFAOYSA-N 420.535 0.797 30 20 HCED CS(=O)(=O)Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 564616792 WFQRZQIRSDXMSO-UHFFFAOYSA-N 421.500 0.698 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCN3CCCC3=O)C2=O)cc1 576414853 SHFUZEXWYGCRPH-QGZVFWFLSA-N 411.462 0.299 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 584137029 ZRCLGPGICDHPMX-SJLPKXTDSA-N 421.519 0.940 30 20 HCED Cn1cc([C@H]2OCCC[C@@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 589491507 NGBXNBJNQALVCI-FUHWJXTLSA-N 403.464 0.607 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCOc2cccc(S(C)(=O)=O)c2)c1=O 606151740 MCPNHEKHUUGOLQ-UHFFFAOYSA-N 407.448 0.026 30 20 HCED C[C@@H](NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)CC1 609448023 LSRWAZQPDXLPBH-PBHICJAKSA-N 404.492 0.289 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(C)=O)CC2)cc1 622963909 YJULVVYWGWBBRM-UHFFFAOYSA-N 422.507 0.559 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577314 NOBAGYJIEPMAJB-UHFFFAOYSA-N 422.491 0.632 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 728532769 JLEVOGIGQAHUCZ-UHFFFAOYSA-N 420.535 0.223 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 728571037 UNAGLLDVWBHAFR-IAGOWNOFSA-N 416.522 0.637 30 20 HCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2=O 731862296 CBXPSFFCCRDSDG-VTIAMPFASA-N 403.439 0.130 30 20 HCED C[C@@H](OC(=O)Cn1ncn2nccc2c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 732862879 KIKQXKDGCVHDEB-CYBMUJFWSA-N 412.381 0.909 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)C2CCN(S(N)(=O)=O)CC2)ccc1OC 733278384 UOVLVOQHRPRRFW-OAHLLOKOSA-N 410.496 0.908 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(NC(C)=O)ccc2C)CC1 735922575 GQVJIIINACQEAA-UHFFFAOYSA-N 406.508 0.399 30 20 HCED COC[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 740508325 UQSFBEYJOJJBIH-NNLSSIJJSA-N 422.507 0.933 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C 745736006 KVUMXLGEEVEPGE-UHFFFAOYSA-N 404.467 0.909 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 747045329 PFHNAFIXOXBIIR-VIFPVBQESA-N 403.254 0.700 30 20 HCED CC(C)(C)OC(=O)NC1(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCC1 747117679 HAZIQBPCJOUENQ-ZDUSSCGKSA-N 413.496 0.790 30 20 HCED COc1ccc(C(N)=NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 749790256 VYYNKMYGVALJDU-UHFFFAOYSA-N 405.499 0.391 30 20 HCED C#CCNC(=O)CN1CCN(Cc2csc(CNC(=O)c3ccccc3)n2)CC1 750826241 OLWQUMBZGQWTQI-UHFFFAOYSA-N 411.531 0.940 30 20 HCED CS(=O)(=O)CC1(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCC1 753313325 PWGQUPBTYHCQRA-UHFFFAOYSA-N 400.478 0.595 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758075407 HRPKODGUZSRADJ-UHFFFAOYSA-N 406.467 0.283 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)C2)nn1 761077273 CJHAVFYIBONCMF-OLZOCXBDSA-N 412.406 0.768 30 20 HCED CCOC(=O)N[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 764891466 UGNDITPZAUMUBE-ZFWWWQNUSA-N 408.480 0.962 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)Nc2cnn(C[C@H](O)CN3CCCC3)c2)c1 765365707 JGSCYVFFNKZENW-GOSISDBHSA-N 411.462 0.929 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCC(C(=O)NCCO)CC3)ccc2c1=O 771774232 CLNONXKLPQKIDH-UHFFFAOYSA-N 416.503 0.832 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cnn(-c2ncccc2C#N)c1)c1cc[nH]n1 772549635 TVNCBEUNIAYTOD-UHFFFAOYSA-N 408.378 0.785 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1 772937723 RDOYKSRMCOHCQL-UHFFFAOYSA-N 407.883 0.339 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 775797247 CANCHKGKJJTGKM-OALUTQOASA-N 421.519 0.299 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1)[C@H]1CCCO1 778729701 RAMJWMGFKFREHY-IAGOWNOFSA-N 403.410 0.534 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 779480122 SMMVNAAGTYDLCF-MWPNVGDWSA-N 422.507 0.714 30 20 HCED CO[C@H]1Cc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2C1 782906505 SEADKFQFIVGVTE-IBGZPJMESA-N 400.479 0.813 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 783537256 YULXRLFSUIXUJQ-UHFFFAOYSA-N 402.494 0.038 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 788107456 SXGUYHSSWNCCKB-MRXNPFEDSA-N 418.498 0.885 30 20 HCED CC1(C)OCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 806650573 XEQPBLATDQMZKI-MRXNPFEDSA-N 400.435 0.438 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2=CCCOC2)c1 807517114 LQHFKKCKVWHANW-XLNRJJMWSA-N 420.491 0.901 30 20 HCED Cn1nncc1CN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 807936855 UAVWLAWEIMSQOS-QQMHEVNUSA-N 413.507 0.922 30 20 HCED COc1ccc(OC)c([C@@H](O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 810101442 GYUUYNBJAILQBL-KRWDZBQOSA-N 419.459 0.704 30 20 HCED C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 810428634 IFYCGJNUXNWSTI-UHFFFAOYSA-N 409.508 0.586 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H](O)c3ccc(OC)cc3)CC2)C1=O 812632744 SXDNYIRZCZRKJT-SFHVURJKSA-N 415.446 0.944 30 20 HCED CO[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C1CC1 815852124 IDBNVZFEJGYPQH-ZESIPNTPSA-N 422.507 0.979 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 916809015 LIOCBLHWZGUUSR-HXUWFJFHSA-N 424.438 0.757 30 20 HCED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCNc1ccc(C#N)cn1 917099234 NEJMOLOQTAKNHT-UHFFFAOYSA-N 406.450 0.873 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1F 918007785 YNVAZOISCXGIRO-UHFFFAOYSA-N 410.427 0.104 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 918238612 IWNPCMXVBWICPE-HDOZFUISSA-N 408.480 0.733 30 20 HCED NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CC#Cc2ccccc2)cc1 1116274556 FBOPHUVMOMBMNX-UHFFFAOYSA-N 400.456 0.978 30 20 HCED CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1117689011 JRAANCURFMQTBO-ZIAGYGMSSA-N 416.511 0.577 30 20 HCED COCC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1301453395 YYKZRSQYUWPSOU-YJBOKZPZSA-N 411.528 0.708 30 20 HCED CS(=O)(=O)Nc1ccccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1321875526 RTYYDKRSVBJOPL-UHFFFAOYSA-N 422.488 0.413 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1 1321917947 VFCGYCVRJJHHFV-AWEZNQCLSA-N 410.448 0.572 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC[C@]34NC(=O)N(C)C4=O)CC2)o1 1322418833 UHVUFTCVEKUYBR-VLIAUNLRSA-N 414.466 0.908 30 20 HCED CCOC(=O)c1c(NC(=O)CN2CCCCS2(=O)=O)c(C#N)cn1CCOC 1353664666 RESKRCLJCVVRMB-UHFFFAOYSA-N 412.468 0.547 30 20 HCED COCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1504859104 SJRCVQXBAFGILI-GOSISDBHSA-N 424.509 0.824 30 20 HCED CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1545698817 NGNBCRDBWVDVCS-ZNMIVQPWSA-N 424.527 0.214 30 20 HCED N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCOC2)CCO1 1555995223 NRCPLVRPGCMLEH-KUHUBIRLSA-N 403.414 0.876 30 20 HCED CNC(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1559910132 WVCBTADBDBMXEM-IBGZPJMESA-N 416.501 0.928 30 20 HCED N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CC2)c1 1615917840 YLCWODJTLZVDNS-UHFFFAOYSA-N 403.439 0.985 30 20 HCED Cn1cc(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)c(-c2ccc(C#N)cc2)n1 1634169412 FDEKHJAYDONCQL-UHFFFAOYSA-N 417.491 0.698 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3cc(=O)n4ccccc4n3)CC2)c1C#N 1636596985 VVJSTBDFTAUDRP-UHFFFAOYSA-N 406.450 0.640 30 20 HCED COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)COc1ccc(C#N)cc1OC 1642207091 ZAMPYTIGZPXJHP-JSGCOSHPSA-N 421.475 0.915 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1663879466 YRUDFGLENLLLET-HNNXBMFYSA-N 407.540 0.952 30 20 HCED CC(C)(CC#N)CS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1666228061 VNMNLBOEKKIRBG-MRXNPFEDSA-N 421.585 0.467 30 20 HCED CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)NC 1694757995 MELVLGIXXKMKFV-INIZCTEOSA-N 404.496 0.839 30 20 HCED Cn1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C)(C#N)CC2)n1 1696872049 RBBMTWUOVTUOHG-ZDUSSCGKSA-N 404.500 0.487 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1711340066 LYRQEZRCKBPWMS-DYESRHJHSA-N 410.478 0.931 30 20 HCED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1746362395 MOOMRIJBIKCSNV-UHFFFAOYSA-N 414.495 0.957 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1767691549 SSSJPFKKNYODPV-NRFANRHFSA-N 410.478 0.931 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1779064347 HJWYQWHKSWQWAB-NRFANRHFSA-N 400.479 0.412 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)N3CCOCC3)C2)C1 1779084821 OMLGBINUOZKURO-UWJYYQICSA-N 409.527 0.459 30 20 HCED Cn1ncc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1Cl 1779860891 BKQLMILEHQAYQI-LJQANCHMSA-N 422.917 0.799 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)cc1 1780698660 PEODXBBYDWWGIA-GOSISDBHSA-N 424.379 0.680 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1781270534 HLHQOOSVQCKLEY-OAQYLSRUSA-N 407.511 0.812 30 20 HCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nnc3cc(C)nn3c1C)CCO2 1783905356 FQIIHNLJSGHFHE-OAQYLSRUSA-N 410.478 0.988 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784280073 GSDPWDWEMQFQTL-UGUYLWEFSA-N 410.471 0.219 30 20 HCED 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WUATZYDIDWWIAO-GOSISDBHSA-N 414.462 0.759 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1841599630 CLXOTMPCTFHQMH-GJZGRUSLSA-N 409.483 0.114 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842563535 BZHZKFJUKROYJH-OAHLLOKOSA-N 401.467 0.017 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1 1844505440 CYFFVCHIGCHCDT-ZDUSSCGKSA-N 417.466 0.849 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCSCC1 1847248011 ZWAUGNMQFZBNBM-OQOUNPCQSA-N 410.540 0.766 30 20 HCED CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1C#N 1847789873 BKWOZPPCKVKAHO-HOTGVXAUSA-N 405.476 0.574 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H]1NC(=O)NC1=O)c1ccccc1 1848131789 ROPWXARHIZZYPW-RDGPPVDQSA-N 422.485 0.984 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N(CCO)CCO)c2)c1 429990344 LMVXCXTZXFRSSX-UHFFFAOYSA-N 410.426 0.625 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 437494458 MINKOVNNSFHPFS-YJBOKZPZSA-N 407.492 0.518 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](O)Cc1ccccc1 438253565 DPKXBQZIEKEAPX-HNAYVOBHSA-N 418.457 1.245 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)n1 439023119 PLJVCULNVCXOMK-UHFFFAOYSA-N 406.406 0.676 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 442238611 ITCAKTBRTQSCMP-UHFFFAOYSA-N 408.414 0.911 30 20 HCED COC(=O)[C@@](C)(CNC(=O)C(=O)Nc1ccn(CCC#N)n1)c1ccc(F)cc1 447454528 VTZJAPDKXIBIRD-IBGZPJMESA-N 401.398 1.121 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)ccc21 448441805 AUTKPRPHEDJMCA-UHFFFAOYSA-N 409.446 0.999 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 467183964 ZIQVKGLIEHQCFH-UHFFFAOYSA-N 411.422 0.151 30 20 HCED N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1F 472751125 LSBNEZPJOTXWDT-QGZVFWFLSA-N 418.450 0.579 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 475158266 SNWRXVNWOHPYDA-CQSZACIVSA-N 410.434 0.429 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)Cc1ccccc1 479095663 MIGDIZXHRIGASY-UHFFFAOYSA-N 406.490 0.850 30 20 HCED CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)CC1 480394127 HHRFECJAVVEQQA-SJORKVTESA-N 419.569 0.915 30 20 HCED N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(F)c1 481019210 YSNAQJIGEIKHIH-UHFFFAOYSA-N 408.455 0.294 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCc2ccccc21 481528063 LKEIVDYYEVXBLO-CQSZACIVSA-N 412.471 0.931 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481897838 UUTWNLIWPFMUGO-CHWSQXEVSA-N 401.510 0.507 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 485745765 QVTGTGICUSZIRN-RTBURBONSA-N 402.520 0.858 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)CCCN3CCOCC3)C2=O)cc1 486632392 SATQOPOOCWYHAH-SFHVURJKSA-N 406.508 0.301 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)nn1CCC#N 487724301 JEYQZSYCWXZFLW-GOSISDBHSA-N 410.478 0.579 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)CC2)o1 502108105 GCICWYYPGXFVSH-UHFFFAOYSA-N 406.786 0.927 30 20 HCED CNC(=O)CN1CCC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 503321593 XRHUIYUHMCFXKI-UHFFFAOYSA-N 412.538 0.986 30 20 HCED CCn1c(CCC(=O)N(C)CC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 504622913 UKDRFTFVKACUIE-UHFFFAOYSA-N 419.507 0.992 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc(-c3ccccc3)nc2)CC1 504669232 LCVXTDDSIFDYLR-UHFFFAOYSA-N 408.462 0.529 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1C 505153385 TZPBCDDOXKHEED-INIZCTEOSA-N 423.429 0.934 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 505622409 ONQLJZSREMQRSA-IAGOWNOFSA-N 416.503 0.242 30 20 HCED N#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1F 505992110 PDHAGRZWZJVGEL-KRWDZBQOSA-N 416.434 0.941 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)n1 508346277 XZBQPAKAPDJQFU-UHFFFAOYSA-N 410.369 0.971 30 20 HCED C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(S(C)(=O)=O)CC1 508812809 XLXCXXYODHXIPC-UHFFFAOYSA-N 405.480 0.984 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)CC1 512304969 QLJKYVOTDRULQS-CVEARBPZSA-N 418.498 0.797 30 20 HCED CCN(C(=O)CN1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)[C@H]1CCS(=O)(=O)C1 513974906 VBRGWJCCRUYULF-AUSJPIAWSA-N 416.503 0.367 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CC1 516434363 UJRKCAFUIMMXKK-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCS(N)(=O)=O 516613140 BFQBZNYAXJZKSA-UHFFFAOYSA-N 420.285 0.893 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 517116441 NIMKDLMRRPVZCU-UHFFFAOYSA-N 413.459 0.644 30 20 HCED Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(=O)n(C)c1=O 520269588 CQWRBPHYQKZWJK-ZDUSSCGKSA-N 421.454 0.042 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)n(C)c2n(C)c1=O 523696751 PWLPBCNIBOFUTO-MRXNPFEDSA-N 420.473 0.426 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)c2)c1=O 523743967 VVRODPGCZWQAGQ-UHFFFAOYSA-N 415.515 0.983 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CC(N)=O 524281441 XJMYAOOKWFAVRR-UHFFFAOYSA-N 421.425 0.725 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(COC)o2)c1=O 531684457 JKJZNWCZQAPWBP-UHFFFAOYSA-N 417.487 0.467 30 20 HCED C=CC[C@H](CO)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 537086010 XYLZXUQRPHCFCY-INIZCTEOSA-N 411.528 0.017 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 537248730 MULQJKROQNLTOT-FHWLQOOXSA-N 418.469 0.797 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)CC1 539885362 JIJVRENPRUPTHZ-UHFFFAOYSA-N 402.480 0.142 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 550510299 RRHNRXMETKQVDX-FQEVSTJZSA-N 416.522 0.955 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)CN3CCCCC3)CC2)c1C#N 550693393 MDSMFRNPRKQVDG-OAHLLOKOSA-N 401.515 0.239 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCOCC 551920379 WHVYRCDYOYNWPV-UHFFFAOYSA-N 417.535 0.408 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 558041422 OPXIGPSJKYLXHY-HOCLYGCPSA-N 401.442 0.519 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncnn1CC(F)F 558980550 ZSGHBEBMIKMOBD-NSHDSACASA-N 418.474 0.957 30 20 HCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C1 559545249 KMGQKISXANMGFW-HZPDHXFCSA-N 412.494 0.540 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1 562069655 CMUFXFOJRMTOHL-UHFFFAOYSA-N 410.481 0.204 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCn1cnc2ccccc21 564743161 QZURUGAJVLQRGI-UHFFFAOYSA-N 408.466 0.811 30 20 HCED CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCn1cnc(C#N)n1 567457550 VZFBMYSVYXOXSS-CQSZACIVSA-N 417.451 0.726 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 568739842 BKPLCDXDWOOGHZ-AWEZNQCLSA-N 404.433 0.813 30 20 HCED CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 573888144 KMINVKUSEPIQRH-NVXWUHKLSA-N 424.509 0.882 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O 577663290 TVCXTLBMNVSTMW-UXLLHSPISA-N 403.483 0.612 30 20 HCED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 578776899 SQBIJCDKOOBXKV-FHWLQOOXSA-N 409.490 0.470 30 20 HCED CCOC(=O)C(C)(C)n1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 578926080 VOVLXPGOMYUASB-UHFFFAOYSA-N 419.463 0.970 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCN1CCCS1(=O)=O 579486916 YDJIZYQMUHBUEK-UHFFFAOYSA-N 408.299 0.635 30 20 HCED CCn1c(=O)c(=O)n(Cc2ccc(C#N)cn2)c2cc(S(=O)(=O)N(C)C)ccc21 582702467 FEAXCANOGQQHKY-UHFFFAOYSA-N 413.459 0.748 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](O)Cc2ccccc2)c1 583791848 WDMBBZAQYLVAJO-QZTJIDSGSA-N 418.471 0.938 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCn2cnc(C#N)n2)cc1 586828193 KJYBDFBYFZCFSS-INIZCTEOSA-N 404.496 0.968 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)n1 588732743 XMARMGRYNFHNFH-OAHLLOKOSA-N 403.468 0.766 30 20 HCED N#Cc1ccc(OC[C@@H](O)Cn2nnc(CCN3C(=O)c4ccccc4C3=O)n2)cc1 590647786 VEPNAINQIKRREU-HNNXBMFYSA-N 418.413 0.823 30 20 HCED C[C@H](NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)CC1 609448025 LSRWAZQPDXLPBH-WMLDXEAASA-N 404.492 0.289 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 610239413 AYRYGQJTYPKCSX-GOSISDBHSA-N 420.535 0.854 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 610664240 PHRDPZPQYWYPOX-UHFFFAOYSA-N 408.422 0.821 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nn1 611571706 ATSDCWPEYMXAMQ-UHFFFAOYSA-N 400.420 0.190 30 20 HCED C=CCn1c(N)nnc1SCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 641980738 FFOUMFTYJPNQJL-UHFFFAOYSA-N 416.507 0.927 30 20 HCED C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 685030904 MXPOAEBFPIWUTF-CQSZACIVSA-N 409.512 0.573 30 20 HCED CO[C@H](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 726723833 HJRIGFGDRHYLAO-IQQDNESTSA-N 410.496 0.979 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)COc2cccc(C#N)c2)c1 729975381 KZPGWXNLGNNXOB-CYBMUJFWSA-N 416.459 0.989 30 20 HCED CC(C)COc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 737305265 GEIXXGAWTJPWKO-MSUUIHNZSA-N 401.423 0.698 30 20 HCED CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 740793219 LFAITFBVYQXYHK-UHFFFAOYSA-N 421.500 0.787 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCNc1ncccc1C#N 742056100 ZPTXALLJEMPHCX-LBPRGKRZSA-N 405.484 0.199 30 20 HCED C[C@H](CC(=O)N(C)[C@H](C)CS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742664003 AYQJICAOBQESMB-VXGBXAGGSA-N 401.510 0.395 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 743892118 XHXQPEBLNRWJHS-ZDUSSCGKSA-N 411.455 0.564 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752034497 BRZAXGAXRSBLAA-JTQLQIEISA-N 404.466 0.872 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)c(Cl)c2)c1=O 755689008 IQZQUAFMZRDNLY-UHFFFAOYSA-N 411.867 0.774 30 20 HCED COC(=O)c1cccc(COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1C#N 756187170 QQYJYKSGQOBTRT-UHFFFAOYSA-N 410.386 0.591 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2Cl)c1=O 758039099 ACBDQDARHRUEFT-UHFFFAOYSA-N 415.902 0.852 30 20 HCED N#CCc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 758695810 LJXIHZHUTQVBMB-KRWDZBQOSA-N 405.476 0.241 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 762694902 DZGFVGOKXBBLEE-UHFFFAOYSA-N 417.491 0.989 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc(S)n1C1CC1 765428541 XZYFJZPXBOCPFY-SNVBAGLBSA-N 406.493 0.757 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(=O)N(C)C)c2=O)cn1 772303350 OYLNKEYEPLXBBX-ZDUSSCGKSA-N 413.503 0.413 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CSc3nnnn3CC(F)(F)F)nc12 783511863 CMSVNOKMSGHNPS-UHFFFAOYSA-N 414.329 0.691 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)c1 786996135 JNQKLLUHWHRVAX-GOSISDBHSA-N 414.462 0.753 30 20 HCED C[C@H](OC(=O)/C=C\C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)C(=O)NC1(C#N)CCC1 787579575 FVECVOJOUQVDDX-LAWSMPECSA-N 416.434 0.531 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C(=O)N1c1ccccc1 787756039 NSRMMHQFUFJLIY-PBHICJAKSA-N 406.446 0.792 30 20 HCED CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787758681 IUFYRJOYKSLZFU-AWEZNQCLSA-N 416.482 0.855 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 793198565 YJJKYTSWGIATOF-CYBMUJFWSA-N 405.432 0.770 30 20 HCED CN(CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 793586685 FJIXDFSWIMPSCG-MRXNPFEDSA-N 405.480 0.246 30 20 HCED COC[C@]1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 796210367 BWFPLGVEIYQPSS-RHSMWYFYSA-N 418.516 0.461 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)c(F)c1 802566056 XQUGORMXGYJQIG-NSHDSACASA-N 403.345 0.736 30 20 HCED N#CC1(OCCOC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CCOCC1 809085136 MUDOZNSTWSJXQY-MRXNPFEDSA-N 404.398 0.878 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2cccc(F)c2)c1 810142889 WCOUXUMWXPPDNM-HNNXBMFYSA-N 407.423 0.532 30 20 HCED N#Cc1cc(NC(=O)CNS(=O)(=O)c2cccnc2)ccc1N1CCC(O)CC1 810449479 SAMFYNYPTREAFD-UHFFFAOYSA-N 415.475 0.831 30 20 HCED C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813982906 YSESLNMIZRFNJR-VXGBXAGGSA-N 419.463 0.505 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCn2ncn(C)c2=O)c1 815045692 BJYNNIAVXYNUJN-HKWRFOASSA-N 406.468 0.423 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(O)C1=O)S(=O)(=O)c1ccc(Br)cc1 816754318 BABFZBOSAJBCQX-GFCCVEGCSA-N 420.285 0.566 30 20 HCED C[C@@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)N(CCC#N)c1ccccc1 914897845 IHDDLYCHVITPTG-CQSZACIVSA-N 408.480 0.780 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 915798958 WRQSSHPRBWMFBM-RTBURBONSA-N 420.491 0.912 30 20 HCED Cc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 916867018 ROFLECVAYOBROS-MRXNPFEDSA-N 405.476 0.961 30 20 HCED 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421.416 0.476 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1831387166 DZWXPHVIRMLCPH-UWJYYQICSA-N 418.494 0.145 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CSCC(=O)OC)CCO3)C2)C1 1831437558 CSTOILMGMNLKTC-LJQANCHMSA-N 412.508 0.315 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1831498055 IHUHLWJSGMVMAJ-DOTOQJQBSA-N 420.553 0.215 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1831500242 YPGZAGZOZVOZMN-JTDSTZFVSA-N 400.541 0.824 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832552788 FSQWLSUSUIZYAT-DYESRHJHSA-N 421.494 0.881 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccnc3S)CC2)CC1 1833081415 QZRVQWAKIFHBRO-UHFFFAOYSA-N 416.503 0.644 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1833123689 JFVLPJKEUUXXGR-OAQYLSRUSA-N 400.479 0.669 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CCN(C)C(C)=O)CC2)CC1 1833668368 FAUBXMCYIOWLCY-KRWDZBQOSA-N 420.554 0.465 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)C(F)(F)F 1833883090 GTLDYJDFCZZAPE-OAHLLOKOSA-N 403.361 0.004 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1cccn1 1835102680 WPGTZMKABGDJDU-CVDCTZTESA-N 422.485 0.952 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1835344778 UICNBEKHXIKOQO-JOCHJYFZSA-N 415.490 0.445 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](NC(C)C)C(C)C)CCO2 1835892810 IJTHDIDZZAPEOW-WOIUINJBSA-N 423.554 0.504 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cccc1C=O 1835949681 NKOMWHOYNUSNBB-VGSWGCGISA-N 413.474 0.731 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1837305693 GZHRSGRKGLBYRO-QRWLVFNGSA-N 404.467 0.954 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1837399182 NVVBCUYILROHJI-LAUBAEHRSA-N 418.494 0.428 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837402657 JVGDPAKXMLCWRB-OXQOHEQNSA-N 409.458 0.797 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)cn3)CCO2)C1 1837892667 WPNHAEGDQGHPPQ-MGPUTAFESA-N 421.881 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)on3)CCO2)C1 1838121934 PJJQENWYZWGUON-YWZLYKJASA-N 405.451 0.345 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838271641 QKXXGNUABNLFPV-IIBYNOLFSA-N 418.494 0.091 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]cc3C)C2)C1 1839173805 MUWIREWBKGWZAB-OAQYLSRUSA-N 419.478 0.903 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1839242088 VLDLQRNBTRXGCJ-NRFANRHFSA-N 415.494 0.719 30 20 HCED COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487964 OHKDDRBIECLGLH-FQEVSTJZSA-N 413.434 0.151 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839882613 PANOADWSEOJSDR-NRFANRHFSA-N 407.511 0.737 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1839890101 HCNRJJRHBXWZEN-SUMWQHHRSA-N 403.426 0.179 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1)C(F)(F)F 1839893216 RSKCFSMTUJZWKD-OAHLLOKOSA-N 404.345 0.304 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840160725 QHEOAKHPFIIWCY-UGSOOPFHSA-N 405.480 0.118 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415557 HOEXLYKIAPSUGW-FXAWDEMLSA-N 421.498 0.278 30 20 HCED CC(C)(C)OC(=O)NCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840906026 YXUXXGZUWQCLHS-FQEVSTJZSA-N 424.498 0.661 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2c(=O)n(C)c3ccccc32)C1 1843859054 KWUAFWBGIKXCNS-MRXNPFEDSA-N 410.474 0.582 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1844237601 BHGRAXGBRJDGSE-HNNXBMFYSA-N 413.478 0.721 30 20 HCED CC(C)(C)OC(=O)NCCCCC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194716 JHGPBHHGQSMREF-UHFFFAOYSA-N 407.467 0.973 30 20 HCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)[C@H](C)S)C1 1846371214 HWOITKVZDCUCMP-HNNXBMFYSA-N 404.529 0.204 30 20 HCED C=CCCc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CNC(=O)O2)c(O)n1 1847847619 IVNXRZUPGACSMG-JYJNAYRXSA-N 400.435 0.830 30 20 HCED C=CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 24696211 MQTVKVSBTJMMTA-UHFFFAOYSA-N 408.524 0.501 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 25303489 RJBALNWTUODXEB-GOSISDBHSA-N 410.540 0.697 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCO1 409583318 GAYNVPCQBVNCQM-INIZCTEOSA-N 412.899 0.957 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 428282840 GRHMBPNEKCRJSS-UHFFFAOYSA-N 418.479 0.497 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)cc1 440687915 YYUCVIXCTSFGCZ-AWEZNQCLSA-N 413.521 0.368 30 20 HCED CCO[C@@H]1C[C@](CO)(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1(C)C 444577405 WLOQSVPLFGHXBQ-VQIMIIECSA-N 409.508 0.861 30 20 HCED C[C@H](C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(C#N)c1 462122856 VLGDEPPBNPOEOI-HNNXBMFYSA-N 406.508 0.819 30 20 HCED COC(=O)C[C@@]1(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOC1 464612203 XGBPXJGIRWALKG-BEFAXECRSA-N 406.508 0.769 30 20 HCED COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 469075958 WDGCSXMCBBXIDS-HNNXBMFYSA-N 406.508 0.952 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(=O)OC)C2)cc1 470142938 UYJRSTIHYUUUTF-LJQANCHMSA-N 423.491 0.843 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CC4)CC2)c1C#N 472868187 JHTQSTAPNOUFHD-UHFFFAOYSA-N 421.461 0.772 30 20 HCED CN1CCO[C@@H]2CN(C(=O)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C[C@H]21 473321486 BPLKTVLKNNVEOE-UKRRQHHQSA-N 412.368 0.979 30 20 HCED C=C(C)COCCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 474593507 BSRNFIRGKNLMCD-UHFFFAOYSA-N 403.439 0.894 30 20 HCED N#CCN1CCN(S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)CC1 481011304 WAJAAGYBMCWGBW-UHFFFAOYSA-N 400.258 0.861 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)c1C 483705900 CUSIBNGUKBWCDF-UHFFFAOYSA-N 424.461 0.914 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)nc1 484770840 SPYNKKLHWXHGKD-UHFFFAOYSA-N 401.452 0.610 30 20 HCED COc1c(F)cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1[N+](=O)[O-] 490465427 PLIHMIIZSIHIIG-UHFFFAOYSA-N 416.431 0.979 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 502053777 RMULIQNBGOQNNS-UHFFFAOYSA-N 423.498 0.207 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCN(c3ccccc3C#N)CC2)n(C)c1=O 505645182 DOXFWNLAEHYVKU-UHFFFAOYSA-N 421.461 0.044 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC(O)(CC#N)C2)cc1 506376830 AXHSARAKHFIKBQ-UHFFFAOYSA-N 411.480 0.071 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1C 508347321 YMUXWDSZFDIHSM-UHFFFAOYSA-N 403.406 0.579 30 20 HCED CN(CCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 510432264 VWOQWWYGZYPDOM-LJQANCHMSA-N 407.540 0.205 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 512324250 RADJWHNCHPAOKD-UHFFFAOYSA-N 421.523 0.337 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512461679 FHHWRRSQGRFOPM-RTBURBONSA-N 406.575 0.211 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H](C)C#N)CC2)cc1OC 514094925 OYCXVNBJBWAYGT-OAHLLOKOSA-N 424.523 0.628 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C3CCN(S(N)(=O)=O)CC3)C2)c(F)c1 517582208 JELSJIIDZVLTJR-HNNXBMFYSA-N 409.487 0.698 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 521289763 MYRADNHPLXCZNE-INIZCTEOSA-N 422.507 0.506 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 531784550 QDCSJQDBKJODMU-OAHLLOKOSA-N 413.478 0.660 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCCN1CCN(C)CC1 532302975 FGNACPZSMRKXMN-KRWDZBQOSA-N 400.531 0.596 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)N1C[C@@H](C(=O)NC(CC)CC)Oc2ccccc21 538548460 KEPKKXIHAQHZTA-KRWDZBQOSA-N 416.478 0.504 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cc(S(N)(=O)=O)cn3)C2)c(F)c1 539530673 LYCKYRZANVJPFK-ZDUSSCGKSA-N 406.443 0.326 30 20 HCED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 551135393 FSTDDSMZEZQJAF-UHFFFAOYSA-N 424.461 0.338 30 20 HCED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 552334776 XZSQKAZXKGNZLE-UHFFFAOYSA-N 424.433 0.645 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 555273178 SNWUGJZWWDYDIP-OCCSQVGLSA-N 411.532 0.505 30 20 HCED CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555375821 KMPRBIIKZNSIDW-INIZCTEOSA-N 423.477 0.532 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)C2)nc1 559985940 FRCARLCCFCSLJM-MRXNPFEDSA-N 409.402 0.436 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CS(C)(=O)=O)CC1 561708847 IYTFDAMPULJLDN-ZDUSSCGKSA-N 413.521 0.508 30 20 HCED C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 561716981 YCUARECBEHXRLL-QGZVFWFLSA-N 401.577 0.987 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccnn3CC)C2=O)CC1 567457840 ABCTZUIPRCTSHA-INIZCTEOSA-N 402.499 0.281 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 570691837 PKOGXUDZQJUFBM-ZOBUZTSGSA-N 403.483 0.125 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCC1 571208686 ZJAFOYBJGIXFQI-ZDUSSCGKSA-N 405.451 0.932 30 20 HCED Cc1nc(Cn2nnc(C(=O)N3CCN(c4snc(C)c4C#N)CC3)c2C)no1 572053819 KJRBKIFLUWXLKM-UHFFFAOYSA-N 413.467 0.925 30 20 HCED C[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)N(C)S(=O)(=O)c1cncc(C#N)c1 572565631 BAAODHVFSOPCRQ-LBPRGKRZSA-N 420.476 0.207 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 578913965 COKKEVBHUHVVOP-KRWDZBQOSA-N 422.507 0.073 30 20 HCED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 581347986 YMDWCRLYKNRHQS-NSHDSACASA-N 408.299 0.633 30 20 HCED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 582875410 WHGTWHOMVTWVBN-ZBFHGGJFSA-N 422.507 0.226 30 20 HCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(N)=O)c1C 590052480 WQNCKOMRFMKLGP-UHFFFAOYSA-N 421.482 0.131 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 609214299 VTYHOSXRULTDHY-OALUTQOASA-N 410.522 0.935 30 20 HCED N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCO1 609269376 OMXDRXPBBSXWMW-HNNXBMFYSA-N 421.475 0.609 30 20 HCED CC(C)[C@@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609413696 KXBIBWLFMQWWCM-GOSISDBHSA-N 418.519 0.942 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c(OCCN(C)C)c1 610027102 RVNZMNUNKGAXHN-UHFFFAOYSA-N 413.482 0.800 30 20 HCED C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 610406205 JIHIBBJLWLTJCB-PBHICJAKSA-N 408.466 0.712 30 20 HCED N#Cc1ccc(N2CCN([C@H]3CCOC3)CC2)nc1N1CCN([C@@H]2CCOC2)CC1 618156482 MYWFJYDTPVJHLI-VQTJNVASSA-N 412.538 0.775 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(=O)N(C)C 618433481 CQFHWVLPENGUEJ-UHFFFAOYSA-N 401.463 0.865 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)CCO1 619710533 ACBFCHNUVTWYCX-DLBZAZTESA-N 414.915 0.460 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 728533887 COTMKEGGBSIWGS-OAHLLOKOSA-N 402.882 0.587 30 20 HCED CCC(=O)N[C@H](C)C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729071288 YUWFKZVLRROZFE-CJNGLKHVSA-N 401.423 0.867 30 20 HCED 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0.252 30 20 HCED C#CCN(C(=O)C(=O)N1C[C@@H]2CCCN2c2ccccc21)[C@@H]1CCS(=O)(=O)C1 783481762 XRBGGBYJFZOQAC-JKSUJKDBSA-N 401.488 0.651 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)cc3F)cnc21 786563270 TXFIUKGKUKUCDU-ZDUSSCGKSA-N 413.340 0.951 30 20 HCED Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)NCc3ccc([N+](=O)[O-])cc3)cnc21 787063634 XHXWGMJSCTVUMF-CYBMUJFWSA-N 409.362 0.063 30 20 HCED C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 788343368 IVMNAHKIBNNHMA-MKEDIBEFSA-N 408.480 0.420 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2c(C)cnn2C)c1 795312470 PMLVOVFXHRGDQN-UHFFFAOYSA-N 402.476 0.764 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C(=O)OC(C)(C)C 805061799 VKRVFNJSMWKNDN-HOCLYGCPSA-N 407.515 0.995 30 20 HCED CC1(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)OCCO1 806371952 CFMVUUKYIYQPHP-INIZCTEOSA-N 400.435 0.439 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc(C(=O)NO)cc1 807949778 JKAIGUBPJSJTAR-GOSISDBHSA-N 404.423 0.037 30 20 HCED 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CC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 409571761 WVSPUQPRMVLDEA-ZBFHGGJFSA-N 410.496 0.663 30 20 HCED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 431908451 BPWJYYCGTXILPU-SFHVURJKSA-N 414.480 0.843 30 20 HCED C[C@H]1CN(CCN(C)C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)O1 435162185 INGLBCREHYHCBF-GASCZTMLSA-N 411.466 0.645 30 20 HCED CN(C)C(=O)NCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 440709025 AHHAETXWMVSOSU-UHFFFAOYSA-N 401.345 0.825 30 20 HCED Cc1c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)cnc2c1c(=O)n(C)c(=O)n2C 464682954 GZWZGKGQGANEIR-UHFFFAOYSA-N 416.401 0.645 30 20 HCED N#CCN1CCC(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 464797828 GYUSAUNEWICCBX-UHFFFAOYSA-N 412.537 0.734 30 20 HCED COCCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 476606403 WRGNCBFOBMAQPP-UHFFFAOYSA-N 408.480 0.199 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)c1 481880044 FMVRMXKFEHCFMO-UHFFFAOYSA-N 408.461 0.881 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482502501 UIYVANQZAXHCNJ-GJZGRUSLSA-N 422.507 0.321 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(F)F)cc2)CC1 491249461 YODCMFZWXLEKMX-UHFFFAOYSA-N 410.421 0.715 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1Br 498307080 WZTCAUMJTTZANQ-UHFFFAOYSA-N 415.269 0.411 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C)c1=O 502020111 TXHNQBBYULSDFI-UHFFFAOYSA-N 415.519 0.195 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)nn1-c1cccc(C#N)c1 502913200 QMEBBLOXTDSFPW-UHFFFAOYSA-N 406.446 0.615 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCOCC2)cc1 506561382 MZBDJMGGDFNODA-UHFFFAOYSA-N 411.480 0.166 30 20 HCED Cn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCO[C@H](C#N)C1 507935924 XNAVUNRUHQRNRF-OAHLLOKOSA-N 402.480 0.995 30 20 HCED CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 508090013 SXGCYHSMCOZADY-HNNXBMFYSA-N 419.550 0.631 30 20 HCED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C(N)=O)C1 508746042 IXTQMZFEXQRYCJ-ZDUSSCGKSA-N 419.511 0.423 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508944177 BWLINWLPGSRFQL-INIZCTEOSA-N 424.571 0.357 30 20 HCED CN(CC(=O)N1CCC[C@H](N2CCNC2=O)C1)S(=O)(=O)c1ccc(C#N)cc1 521034506 RWCUSSKJBZCTAI-HNNXBMFYSA-N 405.480 0.195 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)cc1 523050373 PLTKSZKFWMQMDI-UHFFFAOYSA-N 410.434 0.874 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 524281073 FHAKJEKYBLVUDL-LLVKDONJSA-N 414.443 0.422 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CC(=O)NC(C)C)CC3)CC2)o1 526970987 GJBOXBTXWPXBBK-UHFFFAOYSA-N 402.499 0.740 30 20 HCED COCc1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccc(C#N)cc2OC)no1 527156507 NASNIEFJVJFDIO-CYBMUJFWSA-N 401.379 0.635 30 20 HCED CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 534098570 PIEFPZORXKRWHX-CJNGLKHVSA-N 408.480 0.594 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)c1C 535620281 FPSDOZDRXVZHFQ-SFHVURJKSA-N 409.494 0.661 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 538350053 CSPJPISXUVUFAS-CABCVRRESA-N 411.553 0.080 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 540104354 UNDBGKYCUGWRLP-UXOAXIEHSA-N 415.406 0.074 30 20 HCED C=CCn1c(Cc2noc(-c3cnc4c(c3)nnn4C)n2)nnc1N1CCOCC1 545648061 JEPLUCOHMHKPDT-UHFFFAOYSA-N 408.426 0.618 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C)cn2)c1=O 548617448 DZIJJEBHZQKICF-HNNXBMFYSA-N 413.499 0.758 30 20 HCED C[C@H](NCCn1cnc(C#N)n1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 552098541 GVGNCAFHMZAFGZ-HNNXBMFYSA-N 405.528 0.731 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn2ccnc12 556008949 KBIZMICJQPHXGX-AWEZNQCLSA-N 404.434 0.980 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 558113559 WKWYXDWVHASBKF-SFHVURJKSA-N 409.490 0.330 30 20 HCED CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 558872288 HMYRMZTZUHJNEV-UHFFFAOYSA-N 409.494 0.817 30 20 HCED C=CCN(Cc1ccccc1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 559859668 MUUAFIHQBKYAAF-UHFFFAOYSA-N 408.506 0.930 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(OC)c3c2OCC3=O)c1=O 562040763 QOMMBSZMYZANIZ-UHFFFAOYSA-N 413.386 0.010 30 20 HCED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 564071382 UQPZYZDMPCPZJA-HRAATJIYSA-N 412.446 0.187 30 20 HCED COCC[C@](C)(C#N)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 566998060 PEIXQVYYLXSYDX-LJQANCHMSA-N 408.524 0.882 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 572154085 ZBRVTSQYLZNCIQ-GOEBONIOSA-N 404.492 0.696 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3nnc4n3CCC4)C2)c(F)c1 573464078 MXMULKFANZJFHC-AWEZNQCLSA-N 411.441 0.636 30 20 HCED Cc1nnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 580683629 VZQKZLRWSNYAAN-UHFFFAOYSA-N 420.520 0.977 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)c1 582170324 WHOZSSBOPUWCRI-UHFFFAOYSA-N 411.462 0.935 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCCCN3CCOCC3)CC2)nc1 585721060 VTSPCUHICICYQR-UHFFFAOYSA-N 414.510 0.267 30 20 HCED CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 588766213 IWXHVZYBFGBSPE-LJQANCHMSA-N 404.474 0.905 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 589448061 CJYCSKDUOGZDMX-UHFFFAOYSA-N 417.447 0.692 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1 590284879 YYACDEKGGCCELZ-UHFFFAOYSA-N 406.402 0.571 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1 590543140 IZPFMEBELHBRAR-INIZCTEOSA-N 405.476 0.698 30 20 HCED N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCO1 609283005 LWHXQIFIDPLPCF-CVEARBPZSA-N 408.480 0.578 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCc3ccc(CO)cc3)n2)cc1 611435965 DDDWMEODGDEBRV-UHFFFAOYSA-N 404.430 0.988 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)[C@H](C#N)C(=O)N3CCCC3)cnc21 727233644 UFWAYYFDYMRPTG-VIFPVBQESA-N 407.228 0.224 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(Cc2cscn2)CC1 727405208 UTLSXCXKWOXTEL-UHFFFAOYSA-N 419.532 0.916 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)CC1 728589335 BAFHSYPOUDWVBE-UHFFFAOYSA-N 420.535 0.224 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1 748755746 YJBKHUIKTNFFNU-MRXNPFEDSA-N 407.517 0.639 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 751479908 PCLHUBVDKMXLRX-LLVKDONJSA-N 413.456 0.720 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2C)c1=O 758050688 SDUQFQIEHRHSPH-UHFFFAOYSA-N 407.495 0.522 30 20 HCED N#Cc1c2c(cn(CN3CCN(c4cc(N5CCOCC5)ncn4)CC3)c1=O)CCC2 766636882 KFUCXOVFERELRP-UHFFFAOYSA-N 421.505 0.615 30 20 HCED CCN(CCO)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 769227629 GNJCYBYHXJYIIR-FXBPSFAMSA-N 411.528 0.935 30 20 HCED COC(=O)Cn1cc([C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nn1 770711754 QMZLPCFXJSVUAR-VXGBXAGGSA-N 421.435 0.294 30 20 HCED C=CCNC(=O)Cc1noc(CCCN(C)C2=NS(=O)(=O)c3ccccc32)n1 770990943 JGHOCMKGPGCBEK-UHFFFAOYSA-N 403.464 0.928 30 20 HCED C#C[C@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)[C@@H]1CCCO1 775759691 HHHCHGUXDBRYED-HOTGVXAUSA-N 413.434 0.869 30 20 HCED O=C(O)C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 776641236 ZEAZSKIULZAHNI-CQSZACIVSA-N 423.491 0.988 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 780052259 XVLPVHJPVPNVFV-MRXNPFEDSA-N 413.478 0.683 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2sccc2Cl)c1=O 782749530 LPZHIFUXVUEHHW-UHFFFAOYSA-N 414.921 0.201 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 783918242 HCBKAHOGXNBAAG-UHFFFAOYSA-N 400.483 0.255 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)CC(C)(C)C#N)CC1 785079308 CUUQXCLNEXWMEQ-UHFFFAOYSA-N 412.468 0.607 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCc2ccc3c(c2)OCO3)n1 785501294 LZEIHERUQXXSCZ-UHFFFAOYSA-N 412.446 0.579 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 786548361 KHBVDOBATDTMHG-GVDBMIGSSA-N 417.487 0.356 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 787076035 MICVENRUXKAMMO-IGCXYCKISA-N 418.416 0.774 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C(C)(C)C2)cc1 791007941 XQJSJDQOWWGMFS-SSPLZPMDSA-N 422.507 0.667 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(S(N)(=O)=O)ccc3F)C2=O)cc1 792658906 OBKPGEYTIMKUBN-KRWDZBQOSA-N 416.434 0.876 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCN(C(C)(C)C)CC2)n1 793738056 NHXGZRTUUABTJB-UHFFFAOYSA-N 403.527 0.870 30 20 HCED C#CCNc1nc(N[C@H]2CC(=O)N(C(C)C)C2)nc(N[C@H]2CC(=O)N(C(C)C)C2)n1 804406315 WUAUPQGMORTXQX-GJZGRUSLSA-N 414.514 0.759 30 20 HCED CC(C)NC(=O)OC1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 807806675 MNONIWRRPZXOTL-GFCCVEGCSA-N 408.480 0.849 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)n1 810377976 KKPOFZTZAZVMMT-QAPCUYQASA-N 420.429 0.678 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815547513 SWJSRMJVNPOGIB-UHFFFAOYSA-N 405.455 0.617 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1CCc2ccccc2C1=O 816128756 VQZQUQHDNOCYCA-UHFFFAOYSA-N 414.399 0.970 30 20 HCED Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nnn1Cc1ccncc1 820465500 MNEBBPABFYOJED-UHFFFAOYSA-N 411.447 0.707 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCOCC2)C(C)C)cc1 878407693 YFMBVRFBEGQVKH-KRWDZBQOSA-N 408.476 0.638 30 20 HCED COCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccn2)c1=O 916198942 YAIFHRQXUQJMMV-UHFFFAOYSA-N 410.455 0.364 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 916949386 BKSXFCTUHIXPAQ-AWEZNQCLSA-N 424.417 0.180 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116388392 KDHIWYKWDOPMDL-UHFFFAOYSA-N 413.474 0.966 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 1210950023 OPVIFRNLMXOPRB-CYBMUJFWSA-N 412.475 0.767 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)NCc1nnc2c(=O)[nH]ccn12 1213756581 RPEMWOQCUBBUQX-UHFFFAOYSA-N 409.225 0.530 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CC(N)=O 1253612270 MXRUSKMJYPFIME-NSHDSACASA-N 417.462 0.661 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(=O)n2ccccc2n1 1300208897 PQWFOKRFZQQTSW-ZDUSSCGKSA-N 411.443 0.549 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1313549254 XJABOEYHFJBBGI-MRXNPFEDSA-N 408.466 0.509 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)CC1 1459440765 YMCLERDXSRJLGS-UHFFFAOYSA-N 423.514 0.360 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1466065310 ZPNYADIWEPRLMR-KBPBESRZSA-N 404.471 0.661 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1478420105 MZIJVPVQCBTHMD-DJIMGWMZSA-N 400.435 0.619 30 20 HCED COCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1555527907 NCGQZRAEKZGIAJ-VQIMIIECSA-N 424.571 0.888 30 20 HCED N#Cc1cn(CCNC(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)c(=O)nc1O 1557603600 YBJGGOCWLGYLOZ-UHFFFAOYSA-N 409.324 0.680 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)[C@@H]3CCCOC3)CC2)cc1 1570325013 IXQDJGVNECVTRZ-IEBWSBKVSA-N 421.519 0.863 30 20 HCED C[C@@H](CC(=O)N1CCC(NC(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1637168826 QGHCCXQGVAOBKT-ZDUSSCGKSA-N 421.523 0.766 30 20 HCED COC(=O)[C@@H]1CN(C)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1681517104 YCAJQDAQYGSJSU-AEFFLSMTSA-N 413.478 0.800 30 20 HCED C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1690229457 WQDYLXYJTDMEGV-LBPRGKRZSA-N 420.333 0.772 30 20 HCED CCc1nnc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)s1 1694619354 ZAVYXLGIQPGHKR-LBPRGKRZSA-N 402.484 0.591 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1694740898 OSQGPVVNAVPWIH-HOCLYGCPSA-N 407.544 0.299 30 20 HCED N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2nccn2C(F)F)CCO1 1698492746 JPXZPUFNKNURHX-LBPRGKRZSA-N 406.397 0.769 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1749865099 TZMYNZCTUIZYTN-ZRGWGRIASA-N 406.462 0.719 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1752450756 URNJQUQOBJCXKW-GMBSWORKSA-N 423.539 0.850 30 20 HCED 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CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837316109 WPPXAVBHQKLMPR-INIZCTEOSA-N 421.372 0.098 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1837394673 HEMXBXQKSGFZJR-IERDGZPVSA-N 420.462 0.283 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cc(C)on3)CCO2)C1 1837552192 CICGOUILWUVFKV-DFUKUNQBSA-N 417.462 0.491 30 20 HCED COCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837560893 YQKOHMWVGRLHBW-JLDPKJTDSA-N 407.467 0.582 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1O)CCO2 1837816301 FGDRITBSDCCPOO-HSZRJFAPSA-N 421.453 0.909 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837846477 SVFIZNYIEBXFEC-IERDGZPVSA-N 421.469 0.864 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(CO)o2)CCO3)c1 1837969540 KHYGQEOEVRWOCU-HXUWFJFHSA-N 414.418 0.355 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCn3c(=O)oc4ccccc43)C2)C1 1839806897 GIABHPPZIHYMES-OAQYLSRUSA-N 413.430 0.074 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)O)CCO3)c1 1840025676 MMPXTBBZSZXNEW-VLIAUNLRSA-N 403.435 0.018 30 20 HCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840141550 KQZOLXFBGTZLQG-LZJOCLMNSA-N 419.478 0.502 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1840295371 KZMICGVUHNJTDR-XLIONFOSSA-N 412.552 0.750 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1840567087 ZUGBEGIAMRBDSW-JOCHJYFZSA-N 414.506 0.968 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840872527 WTJMEWABGRLQOM-WIYYLYMNSA-N 410.511 0.852 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2 1841053147 VVCQMLKPIIPZTO-GIFJBRJJSA-N 404.511 0.599 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1841429003 DZZJRQPYDMFJIR-INIZCTEOSA-N 405.495 0.879 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](N)Cc1cscn1)C2 1845188183 RJSMIUGSSMIKTN-HNNXBMFYSA-N 406.508 0.726 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCC(=O)NCCC#N)cc2)C[C@@H](C)O1 8629327 VDWFGDXGDKZLHW-ZIAGYGMSSA-N 409.464 0.671 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)CO[C@H]2CCCc3ccccc32)c1=O 42185381 YTZVDUIJZHUNPO-MJGOQNOKSA-N 413.474 0.999 30 20 HCED N#Cc1ccc(N2CCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)nc1 65729299 ZETXETCHBDKURV-UHFFFAOYSA-N 404.430 0.967 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 409514882 RRMKOVSBCYOILR-MRXNPFEDSA-N 423.539 0.978 30 20 HCED N#Cc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(Cl)c1 426149073 LXROBKXECZZQSP-UHFFFAOYSA-N 405.842 0.747 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(C2CCN(C)CC2)n1 428346575 FWQKXJOWLTVDDV-CQSZACIVSA-N 416.507 1.327 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(=O)NCCN1CCCCCC1 431607862 WWNFRVRICRGMSL-UHFFFAOYSA-N 409.468 0.737 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)COCC)nnc12 433359614 CPQCLDWVSDMSNN-ZDUSSCGKSA-N 417.491 0.836 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCC(=O)N3)CC2)cc1 433942649 RAODSLXZTROYTB-MRXNPFEDSA-N 404.492 0.744 30 20 HCED C=C(C)CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 435440192 UMQILJIZUBYBET-UHFFFAOYSA-N 401.510 0.890 30 20 HCED N#C[C@@H]1CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCO1 436125280 HSOVBGKDZIIJTO-QGZVFWFLSA-N 406.508 0.702 30 20 HCED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1nn(C(C)C)cc1C#N 439223801 OCAYVIFTEMXEPI-KRWDZBQOSA-N 403.531 1.149 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 441918043 FJLHPYYRVWZFIA-CYBMUJFWSA-N 419.528 0.273 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)CC1 442299592 RFJONRSRUQRGND-UHFFFAOYSA-N 403.435 0.965 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCSC 443670739 ACFLHZOTTQDUFW-UHFFFAOYSA-N 417.556 0.847 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 444554164 QKDXQHXNNPIVQY-HUUCEWRRSA-N 408.524 0.529 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1ccc(S(N)(=O)=O)cc1 464853679 DUXRUWWKUQMPHN-CYBMUJFWSA-N 415.479 0.145 30 20 HCED CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465124149 VVQZZKCVAFZKRP-AWEZNQCLSA-N 414.491 0.997 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)o1 465127381 ICGSCFNCWNVENE-LLVKDONJSA-N 404.452 0.509 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1C#N 472201588 QZKOPYSXVYQLRA-UHFFFAOYSA-N 423.520 0.515 30 20 HCED Cn1cc(CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1C#N 483144171 MKRBHNRMQBWCMO-UHFFFAOYSA-N 400.464 0.985 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 484592313 QVCDCCOUMQMOBE-UHFFFAOYSA-N 416.484 0.433 30 20 HCED Cc1onc(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 498555050 NWVKYRBJNOWVFB-UHFFFAOYSA-N 419.419 0.839 30 20 HCED C=CCN1CC[C@@H](N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)C1=O 499537902 KJESYZHGYQKZLV-LJQANCHMSA-N 406.552 0.678 30 20 HCED CS(=O)(=O)c1cc(Br)ccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 501449872 OEBSJUWJWBWWBP-JTQLQIEISA-N 416.253 0.542 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(C(=O)O)cc2Br)n1 505828157 UCWXXBFFXZKDJQ-UHFFFAOYSA-N 400.214 0.589 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N(CCC#N)Cc3ccccn3)cnc21 507727736 VVUFMUDWVVMMDX-UHFFFAOYSA-N 400.420 0.534 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(S(C)(=O)=O)CCCC1 508263628 DWQYDEMJWMMZGX-UHFFFAOYSA-N 423.491 0.996 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508461520 MZOKOTLRSLCYTH-UHFFFAOYSA-N 409.516 0.353 30 20 HCED Cc1nccn1CCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 508714114 UPPBMQHICWZTHL-LJQANCHMSA-N 422.489 0.877 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 509248259 NQBQUASWMRXIFX-KGLIPLIRSA-N 412.516 0.444 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1 509405871 UWHDPFUJAVBRFG-LBPRGKRZSA-N 419.529 0.467 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C1CC1 512790799 SCWLDGZAIVTSOQ-UHFFFAOYSA-N 415.519 0.507 30 20 HCED N#Cc1ccccc1OCC(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 518890590 PZIWHLKYYQWDAK-SFHVURJKSA-N 421.519 0.675 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2)nc1 522992874 UTKMPQXBARLLGX-UHFFFAOYSA-N 424.465 0.363 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2nc(-c3cccnc3)no2)C(C)C)C1=O 524378291 MTEUXGSTFJZTDG-AWEZNQCLSA-N 412.406 0.922 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1C 536115977 WLPHDQLZCJTULT-UHFFFAOYSA-N 416.459 0.783 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 539178704 PEZRFTRHBZNTQY-UHFFFAOYSA-N 417.514 0.677 30 20 HCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548698149 ZXFOYTNZOBCDPC-UHFFFAOYSA-N 409.424 0.915 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 551924443 CITZXMBTBRJENM-AWEZNQCLSA-N 423.450 0.250 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)CCS(=O)(=O)c2ccc(C#N)cn2)CC1 562894490 RAUSIBQKCKBGNC-UHFFFAOYSA-N 422.507 0.460 30 20 HCED COC[C@]1(CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)OCCc2ccccc21 573050082 MNPQPJHOUPXEMW-NRFANRHFSA-N 411.462 1.275 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1 585685480 PLMWVVWMEDLEOM-IBGZPJMESA-N 417.485 0.419 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCN3C(=O)CNC3=O)C2)c(F)c1 609467272 WWEVAYZATUZJPK-CQSZACIVSA-N 402.430 0.907 30 20 HCED C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610388117 BYRMYAFIZGKRSE-GEQZRMBCSA-N 423.473 0.589 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 674453682 VWYWZCLYUWSNPP-IFXJQAMLSA-N 420.491 0.601 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)CC1 728532725 IJLQKFVUHGMERR-KDURUIRLSA-N 412.534 0.803 30 20 HCED C=C(Br)CNC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1 729228138 PSNOUNAQJWEIOU-UHFFFAOYSA-N 405.274 0.741 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2cccc(C)c2)C1=O 730865081 OZZXSQXAKOUFOQ-CQSZACIVSA-N 402.407 0.755 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 733150860 YRTSJGOVXOGOPA-UHFFFAOYSA-N 423.473 0.355 30 20 HCED CCS(=O)(=O)C[C@@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733291760 MRHFDYJRRZQOKM-GFCCVEGCSA-N 401.510 0.445 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCN2C(=O)CCC2=O)cc1 733844016 RSINMTARTQFEFM-RCCKNPSSSA-N 421.479 0.770 30 20 HCED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC(=O)NCc1cccs1 741340798 OFZUPQZBFJNWEN-FOCLMDBBSA-N 406.420 0.534 30 20 HCED COC(=O)C1=C(C(=O)c2cc(OC)ccc2OC)[C@@H](c2cn(C)nn2)NC(=S)N1 741651870 QLXUXKISIJTKOA-CQSZACIVSA-N 417.447 0.661 30 20 HCED COCCc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)n1 755548159 CJTOTLPIFCSIPG-JSGCOSHPSA-N 420.470 0.423 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 757152262 VJCZHOYBZHPSIN-YVEFUNNKSA-N 423.399 0.959 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(C)c2C)c1=O 758078827 BOJBPMZSCAIUIY-HNNXBMFYSA-N 409.511 0.814 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934361 BZQLHSSGJNJABO-CHWSQXEVSA-N 424.479 0.004 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C 774528019 ACJGCRQRDLILNE-UHFFFAOYSA-N 424.526 0.631 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2[C@H]3CCC[C@H]32)CC1 776697566 NGMMBXZPQUDCOL-MNZLEMJZSA-N 417.487 0.980 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CCCC1 779315010 OBKFLAZHDLFFIS-UHFFFAOYSA-N 404.448 0.882 30 20 HCED CN(C)C(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 782908032 XCUPODPDFJNOIM-UHFFFAOYSA-N 401.467 0.401 30 20 HCED C[C@@H]1CCCCN1C(=O)CN1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 784565359 HQXPFDXTWJLQNA-OAHLLOKOSA-N 405.524 0.729 30 20 HCED COC(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 785492896 JPDQOCFIHKFVHP-FOCLMDBBSA-N 409.420 0.287 30 20 HCED C[C@H](O)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)CO 786012790 WRXNYDBEEWLZTP-GJZGRUSLSA-N 411.524 0.876 30 20 HCED CN(Cc1nccn1CC(F)(F)F)C(=O)C(=O)NCCNc1ncccc1C#N 787778341 PPJUDQSGZFLTFY-UHFFFAOYSA-N 409.372 0.899 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 789810586 WZKMADJHGILJLI-OAHLLOKOSA-N 423.466 0.803 30 20 HCED C#CCn1ccc(CN(CC)C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 790109937 JJTMCLHLZPQOAY-AWEZNQCLSA-N 406.512 0.582 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc([C@@H](C)O)cc3)CC2)c1C#N 793647385 VERSIYUNDGRVSJ-OAHLLOKOSA-N 410.478 0.619 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 799284276 CHMUVVATWSZRAD-DAYGRLMNSA-N 401.463 0.765 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)NCCCC)ccc1C 799836680 XVUPIWIYRBPBFT-HNNXBMFYSA-N 409.508 0.902 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCc2nnc(S(C)(=O)=O)s2)c1 803253146 NGVHKEQXQHVKIZ-UHFFFAOYSA-N 417.490 0.763 30 20 HCED COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 805502797 OHLMUXHCGFJCQX-VXGBXAGGSA-N 410.448 0.925 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 807379148 OCPBVPXLXCNGNO-CQSZACIVSA-N 400.357 0.907 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)CC1 808289769 AQWFUKSQGQBART-UHFFFAOYSA-N 421.519 0.616 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1)[C@H]1CCCO1 809309913 HPRRFBPKAIXHLQ-PKOBYXMFSA-N 403.454 0.776 30 20 HCED COCc1cc(C(=O)OC)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 813667295 SPRHIZPVOXIFHC-MSUUIHNZSA-N 423.447 0.424 30 20 HCED Cc1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc(S(=O)(=O)N(C)C)c1C 813984746 YWLOBHNQSWZRGN-UHFFFAOYSA-N 422.488 0.939 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nc(O)n[nH]2)C1 816542428 OHYBTWJPQKZDGF-NSHDSACASA-N 404.452 0.345 30 20 HCED CCn1ncn(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1=O 820391520 OPIGSVXVVCWFBZ-ZDUSSCGKSA-N 406.468 0.288 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 913340748 MQQWKYFZPYAIKV-SFHVURJKSA-N 409.464 0.577 30 20 HCED CN1CC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 918640254 SROIKUQEYUNFHQ-XMHGGMMESA-N 407.452 0.332 30 20 HCED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 1166345973 NXJOQURXOXNMCZ-UHFFFAOYSA-N 418.450 0.701 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1286630135 QIVSRDRHUFDYTJ-UONOGXRCSA-N 419.935 0.836 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)C1 1302979135 OFMWWDIJIAOHTP-INIZCTEOSA-N 406.447 0.213 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 1327715578 BAWMUOKCBLCCBO-UHFFFAOYSA-N 413.500 0.049 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CC1 1505320845 XHOTUOQREARPKW-INIZCTEOSA-N 423.539 0.852 30 20 HCED C[C@H](CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1556503223 MVFMQRUDRCVHBY-QLFBSQMISA-N 406.508 0.171 30 20 HCED COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1=O 1570029080 OZROYTYYJPJWBW-GOSISDBHSA-N 424.505 0.961 30 20 HCED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 1589383669 YYQLLHOCHDQMLH-UHFFFAOYSA-N 424.303 0.882 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)c1 1626146976 IUBFUZVIFOMNOR-UHFFFAOYSA-N 408.462 0.991 30 20 HCED 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30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5ncon5)CCO4)C3)c2c1 1782196960 TUPFKQAPHWFYPP-LJQANCHMSA-N 407.390 0.575 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1782624692 IPVNCBLYOMKHJS-AUODYFPDSA-N 405.499 0.328 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782796065 QAINHVWRGUKRSQ-OAQYLSRUSA-N 409.446 0.733 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1 1783195400 RRYCCCNWSVNMLN-LJQANCHMSA-N 414.497 0.665 30 20 HCED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1)C(F)(F)F 1783207681 CNGLUUUAXAWGCG-QGZVFWFLSA-N 403.401 0.947 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1784500653 VWVIWZJJCVAFRX-WWMYMODYSA-N 404.511 0.922 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@H]4CC[C@@H]5CCC(=O)N5C4)CCO3)C2)CCC1 1785367243 DNWHVHIGYLXUKO-JKSBSHDWSA-N 414.506 0.911 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786560369 QWYVFCWEAQDILZ-SEVLPDGMSA-N 411.502 0.885 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4nc[nH]n4)[C@H]3C2)cc1 1787218781 YZQJTUMYUSLAMU-BZSNNMDCSA-N 408.462 0.902 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1788576622 WVCLDFJQOOMSBA-WOYTXXSLSA-N 405.499 0.392 30 20 HCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]3C2)no1 1791259010 KKVFGBGKFAELKO-RFGFWPKPSA-N 410.496 0.610 30 20 HCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CCC(=O)NC2)cc1 1792576417 QKYNRMNNVVKIGU-VWNVYAMZSA-N 424.501 0.607 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793369625 IJTHXHCFRSVPEG-DGADGQDISA-N 417.528 0.058 30 20 HCED COCCOCCOCCOCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1CC1 1793470892 IKGLYESTTAMTLQ-ACDBMABISA-N 422.522 0.734 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](S)C(C)C 1793606148 DVDVBCPJLLRNBI-SBJFKYEJSA-N 405.586 0.907 30 20 HCED 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PPKYOKHWUJLFSJ-LIRRHRJNSA-N 420.535 0.899 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)n[nH]1 1820753387 WNUYCQHZEZZDAB-BPUTZDHNSA-N 419.482 0.634 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1nnc3ccccc31)CC2 1825661258 MEFPPQHYFTVXQU-LLVKDONJSA-N 424.442 0.588 30 20 HCED NC[C@H](C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)c1ccccc1 1825664442 HBAKPDSKGGMGFD-KBPBESRZSA-N 412.471 0.886 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc3ncnn3c1)CC2 1825669433 FZIXHGSOWAMCFG-GFCCVEGCSA-N 424.442 0.429 30 20 HCED NC[C@H](N)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1827584204 VNGUALCBSDPFKV-RBUKOAKNSA-N 404.555 0.591 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)S)CC1 1828763117 KOUCTSWUZVLVTA-BPLDGKMQSA-N 401.529 0.989 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829828502 JIDBDNKKFBBVBY-WRWLIDTKSA-N 423.466 0.570 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829907614 LPRIBORNWJDFRK-KKSFZXQISA-N 401.463 0.592 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831213019 FUBLVPRIMDMEOE-JOCHJYFZSA-N 408.458 0.818 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1831406747 CHXSFUNJMAHPNI-HXUWFJFHSA-N 404.467 0.529 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1831419597 NVLGFPWCMBZTOJ-YWZLYKJASA-N 407.442 0.882 30 20 HCED CC(=O)c1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n[nH]1 1831486190 UPGGYNAFEZLQKC-APWZRJJASA-N 424.523 0.637 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831596652 PQIBBPPRWVXOAJ-KKSFZXQISA-N 409.527 0.947 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)n(C)n3)C2)C1 1832447042 PFGLOMYZXQVFTL-HXUWFJFHSA-N 422.551 0.647 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn(C)c1)CCO2 1833854423 BWNISPTZOFXFQV-OAQYLSRUSA-N 419.478 0.605 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC)nc3)CCO2)C1 1833886904 CDQSKZWTUGZFOK-VGSWGCGISA-N 415.490 0.752 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cscn4)CCO3)C2)c1 1834258736 QFYVQLWTJMUIHS-GOSISDBHSA-N 401.448 0.727 30 20 HCED COCCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834561533 AEPXOYMIAFXXCS-UHFFFAOYSA-N 407.559 0.876 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834773777 ATDQUDNNZPGOAC-XQBSKJPRSA-N 424.494 0.135 30 20 HCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835352289 RTLUOCJVEGRMJA-LAUBAEHRSA-N 415.494 0.752 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835421315 KTHCSHOEKCJUQO-GCJKJVERSA-N 424.538 0.833 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442191 RZZSURXGOCKLPL-AZIBHNPCSA-N 423.558 0.288 30 20 HCED CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837599111 KDUPGAPTGGUVJH-KMYGJPJSSA-N 421.494 0.968 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837600143 JJGCPDWNMXYIKY-FOIQADDNSA-N 404.467 0.770 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(Cl)ncn4)CCO3)C2)CCC1 1838260465 VFOLTFLRXJQBMZ-IBGZPJMESA-N 419.869 0.894 30 20 HCED Cn1nncc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361717 ZVFHPUSXNUJUBJ-OAQYLSRUSA-N 424.461 0.265 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nc2nccn12 1839548247 MULYRCSRFRXUQS-OAQYLSRUSA-N 424.461 0.412 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1840043521 DCNHPQBADAUKMB-QVKFZJNVSA-N 416.430 0.040 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n(C(F)F)n1 1840162257 QRQBUZTZUTVKEU-SJCJKPOMSA-N 418.466 0.975 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1840172175 XINUDDBPSWZISO-JTSKRJEESA-N 419.522 0.810 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2)C(F)(F)F 1840233497 LYRCEXMGLVADMT-SUMWQHHRSA-N 419.400 0.088 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840291191 JREWEUFMORRLPX-NRFANRHFSA-N 423.579 0.685 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1840293180 LMWUEEZZNWWNTL-JXFKEZNVSA-N 408.499 0.083 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1840295602 XCHOCGNZIQCWHP-JOCHJYFZSA-N 419.522 0.649 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CCC3)CCO2)C1 1840814153 RFONXAGYNAURCU-HRAATJIYSA-N 405.495 0.710 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3(C#N)CCC3)CCO2)C1 1840814155 RFONXAGYNAURCU-IIBYNOLFSA-N 405.495 0.710 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2 1844238521 GCLQBCSMRWITQM-UONOGXRCSA-N 411.499 0.606 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844240176 WNFPILKDUQGHOR-GFCCVEGCSA-N 411.549 0.623 30 20 HCED CCNC(=S)NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302268 LWTJORSJUUCGGD-XYHOIZSOSA-N 411.528 0.203 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847786656 YDRQEAZCKCRWTD-ILXRZTDVSA-N 415.512 0.025 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC(=O)NC2CC2)CC1 106032018 YEBMWFGVBHSXDU-UHFFFAOYSA-N 409.494 0.573 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)CCO1 409545392 XZALKOHEIDVVIK-OAHLLOKOSA-N 414.915 0.806 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 409567319 LXSHNFRMIKQQKA-TZMCWYRMSA-N 402.498 0.057 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409594132 KXARFCWYGIJZOM-MRXNPFEDSA-N 412.475 0.698 30 20 HCED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441847099 UYWKEKFDLIOHHL-OAHLLOKOSA-N 409.450 0.855 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCOC1 441932052 YKADPTSCELSDFI-INIZCTEOSA-N 413.499 0.212 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)OC)[C@H]2C(=O)OC)c1 442133843 OUXWUINBAKARAK-HOTGVXAUSA-N 424.475 0.718 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(C(=O)N(C)C)cc1 443003343 BOZICLJSLYSCKG-CQSZACIVSA-N 414.491 0.949 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 443936436 OWZMLDMSDXBKRP-UHFFFAOYSA-N 420.944 0.603 30 20 HCED COCCN(CCOC)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 445566760 ZMQWMQTXSJIFDJ-UHFFFAOYSA-N 405.842 1.457 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 446520640 CXIWXLGLTNXZPA-UHFFFAOYSA-N 411.466 0.339 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1C[C@H]1CCOC1 446803026 SUABCVXIAFUXQJ-LSDHHAIUSA-N 424.465 0.257 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 462602952 OJSFQKCHDPUYFZ-UHFFFAOYSA-N 410.477 0.691 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N1CCN(c2ccccn2)CC1 464858702 QDCXXJREGBZCGJ-GOSISDBHSA-N 420.521 0.993 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2=O)n(C)n1 465290481 ZQGDTPYZZOMLHS-CABCVRRESA-N 423.481 0.416 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C#N)ccc1Cl 475564261 JNIBAXLENDNYQL-NSHDSACASA-N 405.885 0.135 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cnn(CC(=O)NCCO)c1 476180523 YEDRGAIINDHKGD-UHFFFAOYSA-N 410.438 0.094 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C#N)C(C)C)cc1S(=O)(=O)N1CCOCC1 479119416 RFDPZYNJFHJLAF-HNNXBMFYSA-N 401.510 0.842 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1Cc1ccon1 480931932 GNTYKHIKAVOBOZ-UHFFFAOYSA-N 416.484 0.273 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486483418 AEQWGJHHLCGBRX-INIZCTEOSA-N 407.496 0.288 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1 487158675 BPGVTQYISRWSQV-GOSISDBHSA-N 405.462 0.981 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cn2)c1=O 505710459 IHNNJRXAJMATNG-UHFFFAOYSA-N 405.277 0.386 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC(F)(C#N)CC2)c(O)nc1=O 510919270 IIODKXGHKKZDLG-UHFFFAOYSA-N 424.477 0.638 30 20 HCED CNC(=O)[C@H](NC(=O)CN1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)c1ccccc1 513589392 WANHOBCQJHCOKX-AYPBNUJASA-N 417.469 0.935 30 20 HCED C[C@@H](O)CN(CCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 517205519 ZVJLGMBYBAIXKY-CQSZACIVSA-N 403.439 0.130 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C 531852255 YAYSPRFLYUAHRE-UHFFFAOYSA-N 423.498 0.288 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 531963755 SSSUEKZBUGHPKW-GDBMZVCRSA-N 404.492 0.838 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)C(=O)O 540999663 AZKBMFUFQSHRRQ-GFCCVEGCSA-N 404.466 0.602 30 20 HCED CNC(=O)[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 542919581 DDZJXASHCJLFQB-MRXNPFEDSA-N 412.406 0.959 30 20 HCED C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 549641570 RKGGKUVJQUCGOR-UHFFFAOYSA-N 411.470 0.316 30 20 HCED Cc1cccc(NC(=O)CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1C 554296834 PMBAOBHTOWOADU-UHFFFAOYSA-N 410.482 0.733 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)nc1 556019548 UJDODNQZCZOSGS-AWEZNQCLSA-N 419.397 0.415 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 556088604 LKCDLOUFJBDRKA-SFHVURJKSA-N 420.473 0.553 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 557377446 LJQBOOZUGYNTMC-GOSISDBHSA-N 405.462 1.511 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 564618176 YZSVQNLLMZTORQ-KRWDZBQOSA-N 405.524 0.075 30 20 HCED C=CC[C@H]1N(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCC1(C)C 573760169 UDQPXKRPQHTBSN-OAHLLOKOSA-N 412.512 0.804 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 580899458 NZEQXFLBEKGMKV-OAHLLOKOSA-N 414.491 0.855 30 20 HCED CN1CCC(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 585687652 YWBYWQPCTUFALT-UHFFFAOYSA-N 412.450 0.665 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 588292944 WXTVOILGEMXMCL-LLVKDONJSA-N 402.498 0.822 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 604017953 QRLBTLNXTNAHGH-LBPRGKRZSA-N 419.912 0.526 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 604527848 RUUUOWTWUJHBNC-MRXNPFEDSA-N 406.443 0.079 30 20 HCED CN(CCCNS(=O)(=O)c1cc(Br)cc(C#N)c1)S(C)(=O)=O 610657914 VFHRJRXFRCRZJT-UHFFFAOYSA-N 410.315 0.881 30 20 HCED COc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cc1[C@]1(C)NC(=O)NC1=O 610725181 KXLVCZLBEFIPIY-HNNXBMFYSA-N 407.433 0.879 30 20 HCED C=CCn1c(COC)nnc1N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 669810534 XOGCYVGAEBFHTA-UHFFFAOYSA-N 419.507 0.976 30 20 HCED CCC(=O)N[C@H](C)C(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 729089279 JRHBRHZDCSUMGS-GFCCVEGCSA-N 414.418 0.824 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 729370623 BCZHAQHCMPGKBS-OAHLLOKOSA-N 409.483 0.272 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2ncn3nccc3c2=O)c1 732863739 BUUGEXHNKCGNCT-UHFFFAOYSA-N 408.418 0.998 30 20 HCED CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 733225386 NAIJSGLKLAZSGT-JSGCOSHPSA-N 424.548 0.787 30 20 HCED O=C(COC(=O)CN1CCC(=O)NC1=O)NCC#Cc1cccc(C(F)(F)F)c1 733561435 HFBWHOJJTBMGIQ-UHFFFAOYSA-N 411.336 0.658 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 735923283 PXPFOGRLTURLMY-UHFFFAOYSA-N 410.452 0.049 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1cccc(C#N)c1 745441508 HFBZSHAUWMTQHW-MGTWRFQISA-N 411.414 0.979 30 20 HCED Cn1cc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 746351066 ZQHMOKMFMMBLFB-UHFFFAOYSA-N 402.480 0.198 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758051268 LHTFPSVAKJCCHN-UHFFFAOYSA-N 410.455 0.726 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC)c(Cl)c2)CC1 761023340 GRSLHYSTCVYSHS-UHFFFAOYSA-N 400.888 0.372 30 20 HCED N#Cc1ccc(OCCCOC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)cc1 762913519 MGAWPVSPGIAXBV-UHFFFAOYSA-N 406.420 0.276 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 765896076 PIELXYJFHHHPRL-KRWDZBQOSA-N 409.508 0.357 30 20 HCED Cc1ccc(C(=O)[C@H](C#N)C(=O)c2nccn2C)cc1S(=O)(=O)N1CCOCC1 770863862 WVVIXOJLHJOWBN-HNNXBMFYSA-N 416.459 0.955 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)cc1C#N 774482900 KDZAKNKWRHWKSL-UHFFFAOYSA-N 417.422 0.381 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCO1 775795853 PWYBBDHWQKGQPQ-MSOLQXFVSA-N 416.503 0.162 30 20 HCED Cc1ccc2[nH]c3c(c2c1)CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC3 778545838 YTMPDONBLKLYQK-UHFFFAOYSA-N 415.475 0.697 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 780057028 NRMSGMKTIPINFQ-LSDHHAIUSA-N 401.467 0.620 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 782052595 VXTSFIVUMRJCJM-IJYGLTAASA-N 424.523 0.756 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 783195378 ZQNZWCZWZMVANQ-QGZVFWFLSA-N 409.508 0.995 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CCCC1 785136206 VVAFBSWGDPDNLP-HZPDHXFCSA-N 415.494 0.862 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NN1CC(=O)N(C)C1=O 785300517 TUJKXYRPTGUHKS-UHFFFAOYSA-N 408.374 0.918 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 796274601 OIUOOPBCJHOKHN-UHFFFAOYSA-N 418.387 0.927 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(-c2ccnn2C)ccc1C)[C@@H]1CCS(=O)(=O)C1 799260829 AGGZKLYCSAZYKJ-MRXNPFEDSA-N 414.487 0.983 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)C(C)C 799273417 VKSPGWWZFBJGFA-GOSISDBHSA-N 420.535 0.725 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 800787970 RUYMPEWWQYUTSA-CQSZACIVSA-N 414.532 0.989 30 20 HCED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 804936840 YMVBKTKAYQLFDQ-UHFFFAOYSA-N 401.466 0.644 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@@H]1CCCO1 809313785 VDZPEUUFMBELFH-SFTDATJTSA-N 412.534 0.560 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1C#N 809503435 ZQBVULVXVDSPIU-UHFFFAOYSA-N 404.430 0.799 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(CC(F)(F)F)C1 819878010 DKQFUMBWMAZUCR-LLVKDONJSA-N 404.414 0.868 30 20 HCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 916872697 IPKRLOYNKOOBGU-DOTOQJQBSA-N 417.441 0.886 30 20 HCED C[C@@H]1CN(C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CCO1 917405691 VHVHTVDDBRFHFB-WBVHZDCISA-N 407.492 0.975 30 20 HCED COCCN1C(=O)c2ccc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc2S1(=O)=O 919541335 HHFZMNVAKYWUAA-UHFFFAOYSA-N 423.447 0.395 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1 1116095091 RJZPRBJFFCTKNP-FMQUCBEESA-N 422.445 0.764 30 20 HCED C=CCOCCN1CCN([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C(=O)C1 1131715971 ACKSIFCGUPFSCB-SIFVSHMBSA-N 403.523 0.748 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1309657416 OICGSJDCJFWQOZ-OAHLLOKOSA-N 415.541 0.117 30 20 HCED COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1315969315 RHYYUNQPXYZAMW-IBGZPJMESA-N 419.507 0.839 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)C1 1316526511 MIRCSHMSYIVFPL-SFHVURJKSA-N 417.449 0.130 30 20 HCED Cn1c(=O)c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cnc2n(C)c1=O 1318145784 LJPRMRPEFZOUKV-CYBMUJFWSA-N 418.413 0.495 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318903839 VUQVSJRLXYENQE-QGZVFWFLSA-N 414.462 0.245 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1319773511 GJTNTKHZOLCFRN-UHFFFAOYSA-N 400.523 0.968 30 20 HCED CN(C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1516991086 WZCGRQHKSRSTMK-HNAYVOBHSA-N 419.555 0.680 30 20 HCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1552738943 IJKTUKMXQIFBJU-UHFFFAOYSA-N 423.521 0.942 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)NCCc1nnc2n1CCNC2=O 1558355375 IJRJWPAUVUBSBD-UHFFFAOYSA-N 419.239 0.393 30 20 HCED Cc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)n[nH]1 1742605066 YDOJXWXLZFOHMJ-HNNXBMFYSA-N 418.527 0.980 30 20 HCED N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1750383684 YKONOOCYTDHLBJ-OAHLLOKOSA-N 414.491 0.578 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769101483 FOZUZKSQLPIHIO-LSDHHAIUSA-N 414.514 0.178 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1771537688 SVSYCULEZDKJER-INIZCTEOSA-N 407.434 0.914 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1778577887 LPSYAPJCRLOLHO-HXPMCKFVSA-N 405.476 0.779 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939068 JJMWAEBCNFOTKK-FQEVSTJZSA-N 418.570 0.743 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccncn1)CCO2 1779101570 NOCIVNVFBPKXQH-QBCXYNDESA-N 403.439 0.449 30 20 HCED CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)n(C)n1 1779768464 OAZJKCCXPRMSBX-OXQOHEQNSA-N 402.451 0.198 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020722 DDACPYGCSJTWIC-QKKBWIMNSA-N 413.478 0.987 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c1 1780169167 NZLZXUMLCVRPJA-UWJYYQICSA-N 412.446 0.289 30 20 HCED CC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780192979 URVMYABVKHTNKL-LJQANCHMSA-N 404.854 0.791 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1781396818 SOZUBUCTIFAPTH-YWZLYKJASA-N 414.466 0.974 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1781969293 YLMMQNUSLHGFLE-VFNWGFHPSA-N 414.437 0.667 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017977 YVPOPOKPHAGNCW-CSODHUTKSA-N 405.495 0.461 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2)C(F)(F)F 1783206540 NOSWWXYSTPDCIP-YJBOKZPZSA-N 418.460 0.571 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CCCC3=O)CCO2 1783561888 OHPYADZCBOLDPG-JOCHJYFZSA-N 410.426 0.737 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N(C)C)cn3)C[C@@H]21 1784478868 NOIFSCJECZESCM-DUPRYPCISA-N 414.506 0.779 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cc(C)cn3)C[C@@H]21 1784481788 WULZTBSQJVVBER-PJVZLEMVSA-N 402.495 0.771 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c4c(nn3C)CCC4)C[C@@H]21 1784483098 YLYIOSDVIYCZCP-MRHSLFKSSA-N 414.506 0.540 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787496041 QHBYWHFWMQDREW-CXOVXGEYSA-N 407.496 0.072 30 20 HCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCNC4=O)[C@H]2C1 1788258514 JLQJSNVJYCGLJI-ZQIUZPCESA-N 401.467 0.186 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCN(C)CC3)C[C@@H]21 1788524629 LMAALAFDXWNGEE-WOZUAGRISA-N 418.582 0.982 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)OCC)C[C@@H]21 1789890188 CHBVTYAGUNRAKP-YRXQITCTSA-N 422.478 0.595 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3C[C@@]3(F)Cl)[C@H]2C1 1791367101 PYDPEUJNMSLQQR-OIWIKXABSA-N 413.877 0.749 30 20 HCED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(C#N)cc2)n1 1792424978 ACNYZWGJCKLSLU-IZZQQSIFSA-N 408.462 0.523 30 20 HCED N#Cc1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C\C(=O)NC2CC2)C3)cc1 1792558132 MGZRSPGBTQEQES-NOOKGOPLSA-N 422.485 0.525 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1 1794226559 QTJRJRONLNFJKH-FAQVEIGNSA-N 421.453 0.790 30 20 HCED Cc1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)cn1 1794552684 WTTZXSWHGNXSHB-BJWYYQGGSA-N 400.483 0.270 30 20 HCED Cn1ncnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1Cl)C2 1794572030 XXPAYDPGXDZBHW-YWVIFJGQSA-N 414.853 0.857 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795614471 QTZLEDGTDNBCNS-DTJSUFBGSA-N 403.483 0.472 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc2c1CCCO2 1796097754 YMNWWXKLZXVJAD-DPIQGUFMSA-N 404.444 0.364 30 20 HCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796289487 QLENPFBHDXBKKW-JLVBRIDZSA-N 411.462 0.832 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1nccs1 1796409738 DKPLKNIQKNEGBC-GVRJEKJASA-N 406.508 0.571 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 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COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)C3(C#N)CC(C)C3)C2=O)cc1 767422775 LSWXLARWEIRDDP-GSBZXEOGSA-N 414.418 0.976 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cn(CC(=O)OC)nn2)cc1 770705069 JPPGEWJYCOGWTO-LBPRGKRZSA-N 406.420 0.281 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1[C@H]1CCCCC1=O)c1cc[nH]n1 772429875 CVDXLNSEMRPOEO-UKRRQHHQSA-N 406.439 0.680 30 20 HCED C#C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CCCO1 775796300 VLSZCVDQAPSKLV-IRXDYDNUSA-N 404.492 0.866 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](O)C2(C)C)c1 778834613 BWERZYPUAMDCEL-KKXVALRJSA-N 422.507 0.714 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCC(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783481924 ZGIGXVSXLFTYHM-HNNXBMFYSA-N 422.459 0.216 30 20 HCED N#C[C@@H](C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cnc2ccccc2n1 792100646 NRTCOSCSYJHKBM-QWHCGFSZSA-N 411.443 0.972 30 20 HCED CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C(C)(C)n1cncn1 794513989 FOLPDNUGWOUFMW-UHFFFAOYSA-N 406.516 0.832 30 20 HCED CN(CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O)S(=O)(=O)c1ccc(F)cc1 798045421 IYUXWAVJGZKKKB-ISLYRVAYSA-N 424.454 0.479 30 20 HCED CCOC(=O)CON=C(C(=O)NCCn1cc(Br)cn1)c1cc[nH]n1 804693502 WDOQRBHTRRVYPC-UHFFFAOYSA-N 413.232 0.469 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 804960368 WCKYYGIUNWTQAD-UHFFFAOYSA-N 423.495 0.517 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)cc(Br)n1 807401882 XDVSJDOJKQLGQT-UHFFFAOYSA-N 408.134 0.557 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@]2(C1)NC(=O)N(CC(=O)NC1(C#N)CCC1)C2=O 812252904 IRWPOELAXGTQNT-IBGZPJMESA-N 405.455 0.870 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CC(=O)N(c2ccccc2F)C1 813066253 UPWJATKIKBAGRT-HNAMICAMSA-N 401.398 0.757 30 20 HCED C[C@@H]1Cc2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)ccc2N1S(C)(=O)=O 813983282 ONFCKVPLEXBJHH-LLVKDONJSA-N 420.472 0.783 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)C2=O)cc1 815265863 WTCGIEOIVIJIFK-GDBMZVCRSA-N 406.464 0.512 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921130784 CSMGNTODGQTLTK-CYBMUJFWSA-N 414.509 0.227 30 20 HCED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2C[C@H]2C(=O)N(C)C)nn1 1003048449 GDZPJSYMOSZLPU-GAGVYUBLSA-N 400.483 0.440 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1143113747 MTFVEJWHADQENU-CYBMUJFWSA-N 405.455 0.974 30 20 HCED C[C@H](CC(=O)N1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 1143920538 KUIMALULGKUKIR-AAVRWANBSA-N 406.508 0.970 30 20 HCED C=CCN(CC=C)C(=O)CN1CCCO[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1150005871 MNASCSZIEMBISE-KKEPMVJESA-N 403.523 0.818 30 20 HCED Cn1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)n1 1314920653 PUEGHRYBXOROJY-CXAGYDPISA-N 404.500 0.487 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1321311655 MTIYPQAJCLXCHV-AEGPPILISA-N 419.459 0.146 30 20 HCED Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1344549918 QFWIJZXNCBVMCV-SOKVYYICSA-N 420.516 0.539 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)[C@@H](C#N)C1 1463253715 SQTXPOUJDYOGBP-ZDUSSCGKSA-N 423.557 0.974 30 20 HCED CC1(C)COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1510340067 MYUNZEUXDVHVSM-LSDHHAIUSA-N 403.487 0.069 30 20 HCED Cn1cc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cn1 1515682242 USHJBEYUTJSAHR-ZIAGYGMSSA-N 402.455 0.744 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)CCO1 1521129774 OEMZQESEIKWLSH-DLBZAZTESA-N 423.477 0.664 30 20 HCED C[C@@H]1CCCN1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1544250095 MUTOOGVKKKMWMG-BZUAXINKSA-N 408.528 0.393 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CC1 1560136609 YGDXKOFUSKPXPB-MSOLQXFVSA-N 423.558 0.592 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1593808275 QBRWDHOHMOLGOO-WDEREUQCSA-N 413.953 0.510 30 20 HCED CC(=O)NCC(=O)N1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1635263883 KSGFKCCCODXYBT-UHFFFAOYSA-N 413.478 0.864 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1C#N 1662465228 JRLWTCIECORQTN-ZDUSSCGKSA-N 400.478 0.688 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)n1 1723914185 NFXZGULTLNCPJQ-QWHCGFSZSA-N 409.520 0.388 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1771111371 IPRITZMDZLGBLG-UHFFFAOYSA-N 419.511 0.926 30 20 HCED CS(=O)(=O)NCCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1771369892 SWUJPAIUCRCEOH-QGZVFWFLSA-N 418.523 0.731 30 20 HCED CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1771406158 NYEBRPKOHSLSLC-OAHLLOKOSA-N 421.571 0.972 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[C@@H](O)C1)C2 1779364524 XGZIPEGMRGAYAV-ZJUDSCCPSA-N 406.527 0.743 30 20 HCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697881 AUEUKVIBAZBIFZ-LJQANCHMSA-N 405.476 0.436 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1)C(F)(F)F 1781097412 BSCRSDWBKBCRBF-QAPCUYQASA-N 418.460 0.571 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1781265898 VVRRXXQBKNCGQT-HXUWFJFHSA-N 420.466 0.382 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1781391458 SZRDEAVIMWBDDI-KDOFPFPSSA-N 422.442 0.422 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cncc3cnccc13)C2 1782013302 CHWZVVFENCBUDJ-XMSQKQJNSA-N 422.441 0.845 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1783557548 NXOYJCOPUFMDHK-GOSISDBHSA-N 409.345 0.215 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)COCCOCCOCCOC)CCO2 1783920954 HTPBJJGKCLAGEO-HXUWFJFHSA-N 414.499 0.089 30 20 HCED CSCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1783973620 YVQQMCVUFKAGGO-DSXZDUDKSA-N 412.556 0.402 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)C(=O)OCC)C[C@@H]21 1784486587 GZACAMPUJOFRGW-QAETUUGQSA-N 408.495 0.594 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Cn3cncn3)C[C@@H]21 1784503798 IIYBXRWKDADNCB-ATIWLJMLSA-N 405.499 0.485 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785446312 DQNPWSSZLVMVIP-JXFKEZNVSA-N 401.467 0.635 30 20 HCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)n[nH]1 1786859698 XUQBRBBJFFTILW-ZOBUZTSGSA-N 402.499 0.593 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@H]2C1 1787442457 YCKJTZVEBSWKPV-GVXVVHGQSA-N 412.393 0.693 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21 1788677069 QZPZUMPRWDHCQN-BBVZKACUSA-N 413.430 0.945 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C(=O)OC)nc1)C2 1793821038 JTSJKIWILVKZDV-JLVBRIDZSA-N 419.503 0.991 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C)cn1 1794457725 RNYWXYZFGOVDFP-OAFZBRQQSA-N 400.479 0.389 30 20 HCED COc1nn(C)cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795275050 OYMFNCAITYPWPO-XEMDLRDOSA-N 408.458 0.684 30 20 HCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797026509 SFRAMROKJZDIRM-XRGAULLZSA-N 403.508 0.887 30 20 HCED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)NC(=O)OCC 1797583450 CZIZHRXNNVDFSO-KYHPRHEASA-N 409.483 0.409 30 20 HCED CN1CCC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)C1 1797784855 RESUEUZAHGFWGI-HUUJSLGLSA-N 417.550 0.616 30 20 HCED Cc1n[nH]cc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815379 NKKZFKAMEQVSHW-LPUCPTHISA-N 405.455 0.450 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4nncn4c2)C3)c1 1798692485 PTWQVLJJTGJDCA-JLVBRIDZSA-N 405.418 0.446 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)C2 1799304081 LZFCRZCWFOZISJ-FMWJIXOUSA-N 419.522 0.426 30 20 HCED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1)C(=O)O 1799641762 KYNHQINKXCWSOP-ZMMAXQRCSA-N 414.462 0.019 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1800717496 PXMMTPIOERDGQB-BIWGCHKCSA-N 417.506 0.856 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CNC(N)=O)[C@H]1c1cccnc1 1803564824 AIUBMCXHJSDSDN-LPHOPBHVSA-N 403.483 0.739 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H]2CNC(=O)C2)[C@@H]1c1cccnc1 1803569982 BRYFXZSDKPESFJ-NOCIGQNYSA-N 400.479 0.815 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@@H]2c2cccnc2)c1 1807614830 WLUGTNQSIHUMNI-YJBOKZPZSA-N 405.422 0.288 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)CC(=O)NC)[C@@H]1c1cccnc1 1810248757 SHNRIWYWSQWNOT-TXPKVOOTSA-N 402.495 0.797 30 20 HCED C[C@H](Cn1cncn1)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1810480020 LWGDHQYJKNEHRG-ALKREAHSSA-N 410.434 0.103 30 20 HCED C#CC(=O)NC[C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cnccn2)[C@@H]1c1cccnc1 1812529295 QXYXALBBPNSYQT-ZSZQSSIHSA-N 406.446 0.329 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cnnc(Cl)c2)[C@H]1c1cccnc1 1812874220 IGIMJVTXPSLYDQ-ACJLOTCBSA-N 413.821 0.933 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(O)nc(O)c2)[C@@H]1c1cccnc1 1812880198 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LYILSAQLGPNYJL-FQEVSTJZSA-N 406.866 0.981 30 20 HCED Cc1noc(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1832553024 IITZVPZAABNFHU-NRFANRHFSA-N 401.463 0.704 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1ccsc1)CCO2 1833142037 CINGUDYYLJKREV-SNDJDQCESA-N 404.444 0.306 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)cc1 1833276713 ZMSGUIBHHVTMCO-JOCHJYFZSA-N 422.441 0.575 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2 1833438691 DDYXEJSIXLREFM-IBGZPJMESA-N 424.523 0.418 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(C)c3)CCO2)C1 1834279076 UTYFTIWCSLBKSK-UTKZUKDTSA-N 401.463 0.498 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448371 SZXHOKKQQMQDAF-BEFAXECRSA-N 407.471 0.291 30 20 HCED CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cn1 1835341092 OQDQPHRUAXUZQD-FQEVSTJZSA-N 415.450 0.249 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c[nH]1 1835676853 DLUCYPSUQMBCFN-OAQYLSRUSA-N 417.510 0.675 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCC=CO2)CCO3)c1 1837415492 YZZUJURBMCCCPI-XLIONFOSSA-N 400.435 0.649 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440659 RNLPONLHFKNZJM-IFPAPICYSA-N 424.542 0.322 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2 1837524536 CHWCZNUYZIFGGP-XUYQLWACSA-N 419.478 0.385 30 20 HCED Cc1nccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838736322 YDTHBXJXFRWQHU-FQEVSTJZSA-N 410.434 0.369 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c1 1838905430 FNTNHJUDBVCBSF-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1839051669 BKNBPTWBUFARGP-JOCHJYFZSA-N 412.490 0.388 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1839173575 ZOKFAERAQYLONG-LAUBAEHRSA-N 424.494 0.543 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1839223755 HHGRMKHSPPTRHB-UZLBHIALSA-N 404.467 0.953 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839361803 FQPWEAPHAWFSKA-KNQAVFIVSA-N 414.506 0.821 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1839890490 CLQJTZNQKXFNQR-KSSFIOAISA-N 415.437 0.180 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1840157454 PPFZRYXSDZCDMR-AUUYWEPGSA-N 410.492 0.546 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840160883 WZQJXFYQVYJGIJ-DIFFPNOSSA-N 412.537 0.804 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1840172228 AISOTRWBNKRTGV-NRFANRHFSA-N 402.447 0.990 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@@H](C#CC)c1ccc(O)cc1)CCO2 1840222364 MENXAFGQJCJWBT-AUSIDOKSSA-N 410.470 0.979 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)CCC1 1840814066 MPKMXWRGLNQHFT-OAQYLSRUSA-N 424.461 0.722 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841099430 GKFRGCREESXWLK-KRWDZBQOSA-N 400.435 0.369 30 20 HCED NC(=O)CC[C@H](N)C(=O)N1CCCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1842879129 VBYCJPGPYKPBJZ-INIZCTEOSA-N 402.882 0.488 30 20 HCED COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)n1 1844258849 AFDMUWBZCOGPDP-KGENOOAVSA-N 402.499 0.818 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)[C@H]1SC(=N)NC1=O 1844314317 XFWVORUCEFAVAV-ILEZELHHSA-N 417.491 0.704 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1[nH]nnc1C)C2 1847068409 BPLXYZYWHCUOPJ-AWEZNQCLSA-N 416.482 0.847 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)cc2C1=O 46043463 HOVLGMOQJJRMFB-UHFFFAOYSA-N 410.430 0.032 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2C(=O)NCCOC)C1 410399703 FVPVVWWQTQNKBH-AWEZNQCLSA-N 412.516 0.446 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 435441236 BACUAYROOCTSJS-UHFFFAOYSA-N 408.523 0.747 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 441951792 BVHFYZSUROFKPW-GFCCVEGCSA-N 410.455 0.193 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)n1 444568841 JQGFXGNRFDNXTH-UHFFFAOYSA-N 423.477 0.590 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)CC1 447914840 LSWVCFHTNHHADY-AVRDEDQJSA-N 419.570 0.973 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 460774071 AYTCGTQCXBPMOD-UHFFFAOYSA-N 418.460 0.896 30 20 HCED C[C@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 469052222 SYKACHLCDBQQDL-CQSZACIVSA-N 409.468 0.662 30 20 HCED C=CCn1c(O)nnc1S[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 470841116 REDBHHLTIVVDPY-NSHDSACASA-N 411.509 0.657 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C 475056861 YBYOBEVSRKTPJY-UHFFFAOYSA-N 410.496 0.364 30 20 HCED C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 475596284 QEVLERGEGLAHKK-CMPLNLGQSA-N 419.912 0.429 30 20 HCED CN(CC(=O)NCCCCCS(C)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 477285444 YZBYOKSYHCWQTD-UHFFFAOYSA-N 401.510 0.510 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccccn2)CC1 479871126 GVYRRMBHASGKHK-MRXNPFEDSA-N 413.503 0.964 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCNC2=O)CC1 480528346 ZORRLOXBIAYQAT-CYBMUJFWSA-N 405.480 0.241 30 20 HCED CCNC(=O)N(C)c1cccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1 483505687 YOMHABYSDPIAAI-UHFFFAOYSA-N 412.454 0.717 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 484081733 JHKYJJZIOJUSIW-MRXNPFEDSA-N 403.870 0.915 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2)C1 486610920 IPHMMUBEGVOFGP-MRXNPFEDSA-N 401.510 0.619 30 20 HCED CCS(=O)(=O)N(C)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 486728330 HUEVDTRMZKOVDX-UHFFFAOYSA-N 404.496 0.656 30 20 HCED COc1ccc(NC(=O)Cn2c(N)nc(C#N)c2C#N)cc1S(=O)(=O)N(C)C 490150453 MUZDOLQUMGORGS-UHFFFAOYSA-N 403.424 0.106 30 20 HCED CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 504071886 NORFMVCRDIPKEA-HXUWFJFHSA-N 402.451 0.780 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 507681628 CABAYJGKSRHVGN-QGZVFWFLSA-N 401.511 0.333 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508811147 RQKJOAWWSROGKB-HNNXBMFYSA-N 408.484 0.956 30 20 HCED CN(CC(=O)Nc1cccc(CS(N)(=O)=O)c1)S(=O)(=O)c1ccc(C#N)cc1 511985734 CKSPNIRRLWSLTN-UHFFFAOYSA-N 422.488 0.606 30 20 HCED C[C@H](C#N)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 512500363 WCKFLAVZZPGIPL-OAHLLOKOSA-N 422.507 0.382 30 20 HCED COc1cc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1OCC(N)=O 516564192 LTUJUAPACYVFSZ-UHFFFAOYSA-N 424.461 0.858 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 520278803 HSDYICHNSMZYPX-UHFFFAOYSA-N 415.537 0.760 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)C1=O 520491793 UOOORWYBURGYJP-UHFFFAOYSA-N 413.434 0.691 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1=O 523379262 VXHXVYQLLQHZKS-UHFFFAOYSA-N 406.420 0.142 30 20 HCED CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H](O)CN1CCOCC1 537248697 OGFBGFYKLQWIBE-ZWKOTPCHSA-N 421.567 0.082 30 20 HCED C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 540973571 RMACAYSUHGRJKC-CYBMUJFWSA-N 400.414 0.658 30 20 HCED COc1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1[C@]1(C)NC(=O)NC1=O 543682341 KLIGHBCXTFEWRV-HWPZZCPQSA-N 410.477 0.379 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545497161 RIEIQLTYAKOGEV-UHFFFAOYSA-N 422.445 0.365 30 20 HCED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 556029955 JKVDZZIFAZNYDQ-SNVBAGLBSA-N 409.240 0.311 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC 558765355 PPQXOZWPIBKFSF-GFCCVEGCSA-N 423.534 0.463 30 20 HCED CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)Cc1ccccc1 559411533 KQXKQNIZZNWUDT-HXUWFJFHSA-N 420.517 0.891 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 561414149 PGPPOTJVSZCBGY-CQSZACIVSA-N 408.524 0.620 30 20 HCED CC#CCN(C)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 564062022 OXAIJWFVMNOSDD-UHFFFAOYSA-N 423.473 0.536 30 20 HCED 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0.044 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCc2cnccn2)[C@H]1c1cccnc1 1812882382 NHUQCYCNSLTVLD-IERDGZPVSA-N 407.430 0.598 30 20 HCED O=C1CC(C(=O)N[C@H]2CCc3nc(NC(=O)C/N=C/c4ccco4)sc3C2)=NN1 1819952553 VXIJRANXRCKGLD-WHGJXMNKSA-N 414.447 0.643 30 20 HCED C=C(C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2)C(F)(F)F 1825264539 URJJUOIJEIYRHQ-QMMMGPOBSA-N 401.374 0.860 30 20 HCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)CC2 1826028348 VCFVEOHDXMGSIG-HOTUBEGUSA-N 403.551 0.951 30 20 HCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1826427038 KOGFNRPTSIUEOX-KUHUBIRLSA-N 420.535 0.899 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cncn2)CC1 1827185295 ICUOHPTZBKWTQP-HPFMTEOYSA-N 414.510 0.756 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOCC3)C2)C1 1829777619 DYOXAIXNRMOHRZ-JOCHJYFZSA-N 423.554 0.767 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-])CCO2 1830683763 WVMFRYGCDVABEG-IBGZPJMESA-N 421.837 0.880 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@H]1O)CCO2 1830822826 UIGRZGGQGKSXOP-UZKOGDIHSA-N 413.474 0.652 30 20 HCED CN(CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)C(=O)C(=O)O 1831167312 VDNLEMDHVZUEPM-MRXNPFEDSA-N 418.494 0.843 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1831213128 HBAQEUALJCADJQ-NFBKMPQASA-N 410.470 0.860 30 20 HCED CN(C)c1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)cn1 1831216267 IEVCYSDXUJOICU-JOCHJYFZSA-N 412.490 0.631 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3C)C2)C1 1831386738 JPZJKTZOEKJPHC-DYESRHJHSA-N 401.463 0.498 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1831387073 LAROZDYKXJQGEV-IIBYNOLFSA-N 417.462 0.199 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1831483996 ULJPXAWRLQMCRL-JTDSTZFVSA-N 414.568 0.948 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnccn3)C2)C1 1832462189 DRANOBOHKDZFGU-WUUFJKRQSA-N 418.519 0.865 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833677083 ADBUGAYWSZYGMY-OAQYLSRUSA-N 416.453 0.910 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C2)C1 1834768949 RKCSWKLGOPKOBA-USCONSEESA-N 424.457 0.266 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N(C)C(C)=O)CC2)CC1 1835120422 CIEXZMCDYAZOFI-IRXDYDNUSA-N 420.554 0.463 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4noc5c4CCCC5)C3)C2)CC1 1835341921 DXAHZIHYZYDIMT-NRFANRHFSA-N 414.462 0.927 30 20 HCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835731690 RFXDJGCSWFYVSR-CJLVFECKSA-N 423.558 0.039 30 20 HCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1)C(C)C 1835901842 WNKASAMAICDTBX-GJYPPUQNSA-N 401.573 0.784 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838204692 YMSLIQIPCACZAO-QRWLVFNGSA-N 407.467 0.626 30 20 HCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cnn1C 1838734573 CLQJDVMRUDPILZ-FQEVSTJZSA-N 412.450 0.312 30 20 HCED CN1CCC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838739359 RSOUMAGLCCQSJO-DYESRHJHSA-N 415.494 0.298 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705482 IRIJAJAPHWFILX-FXAWDEMLSA-N 421.498 0.278 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 1839722550 ZFNCEGLLVLBENY-DNVCBOLYSA-N 407.471 0.210 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059978 UEPNRNCKFREROR-LPHOPBHVSA-N 409.508 0.812 30 20 HCED CCOc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cn1 1840158545 NEWFUCPDVBBCHJ-SCLBCKFNSA-N 410.496 0.264 30 20 HCED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)c1ccccc1 1841891734 DULUPMPBRZWRTK-SFHVURJKSA-N 422.485 0.939 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)ccc1F 1842874673 DHBCBDGJTQNKLT-UHFFFAOYSA-N 424.369 0.168 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844347874 IAXYXURTRBBODW-RAGMITBNSA-N 404.471 0.647 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCO1 409485493 OGZYIKFYIREAAB-FZMZJTMJSA-N 402.835 0.643 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 409539342 VXLIPAUNWDWLCL-INIZCTEOSA-N 400.501 0.658 30 20 HCED CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 434953244 ALPVHVYSDRROHO-UHFFFAOYSA-N 404.430 0.759 30 20 HCED C[S@@](=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 442503610 CNTVSAFFKKQAOS-AREMUKBSSA-N 410.521 0.485 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)cc1OC 442816170 WLKYNOLYVDZPAH-ZDUSSCGKSA-N 403.478 0.846 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OC 443198107 BKCDNSWGJXNBAC-GFCCVEGCSA-N 421.269 0.571 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)cnn1-c1cccc(C#N)c1 443709882 QHDWOEUWGLDILG-SFHVURJKSA-N 424.461 0.608 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 460570748 BZZXHTDJIAXFEQ-GJZGRUSLSA-N 411.466 0.611 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1 465957816 RGTJAHBKGZCRGE-UHFFFAOYSA-N 400.527 0.988 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 471791054 UUKHMUVGXDCGEQ-KRWDZBQOSA-N 407.430 0.060 30 20 HCED CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)N(C)Cc1nnc2n1CCC2 472968060 NTDIDECSAASYEQ-GOSISDBHSA-N 423.477 0.834 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)cc1 473931972 JPTHYWIPWMGZDX-UHFFFAOYSA-N 411.393 0.671 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)Cc1ccc(C#N)cc1 476731226 WOPPGWJRGGUREJ-ZDUSSCGKSA-N 400.460 0.983 30 20 HCED CN(CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)S(=O)(=O)c1ccc(C#N)cc1 477288639 IKJRJNQWUYFSAG-SFHVURJKSA-N 412.471 0.618 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C 480479295 FPWGONFNSTYCQP-HNNXBMFYSA-N 404.558 0.425 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 482185758 STEUJCZTJHOAHV-LRDDRELGSA-N 419.484 0.870 30 20 HCED CC1(C)NC(=O)N(CCCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486009004 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404.452 0.951 30 20 HCED CCOCCS(=O)(=O)NCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 512311372 ABXRVOVIVLADMC-UHFFFAOYSA-N 410.496 0.715 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)cc1 518513247 YDDSYWIYWNZVDY-QGZVFWFLSA-N 422.507 0.143 30 20 HCED CN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)c1ccc(C#N)cc1 521134734 GWNIZIYRESKMCF-UHFFFAOYSA-N 411.447 0.675 30 20 HCED CN1CCN(CCCN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 521924845 NIUMLNCJKMQTLJ-UHFFFAOYSA-N 407.540 0.588 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 522383034 AAPZCJZPOLOTCA-UHFFFAOYSA-N 417.494 0.748 30 20 HCED N#Cc1ccc([C@@H](NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])C(N)=O)cc1 523936770 IZGLGMZUDUYQCE-MRXNPFEDSA-N 403.420 0.561 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1CC(N)=O 524281433 WVTLARUGBRFYKZ-UHFFFAOYSA-N 418.906 0.324 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 532201741 LZXRVCDXZWHLOS-ZFWWWQNUSA-N 413.521 0.651 30 20 HCED N#CCCN(CCC#N)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 535541955 DSFBCBBMWIFZCY-UHFFFAOYSA-N 405.480 0.775 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCCN(C)CC1 537066227 UVVMKCJYZFSKOR-INIZCTEOSA-N 402.495 0.704 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 539453278 JXVPHMKKYSAVQM-JYJNAYRXSA-N 406.508 0.719 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1=O 541762598 FTKZEKBWMGWXKO-CQSZACIVSA-N 413.521 0.535 30 20 HCED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCOC1 544472583 UDGQYRBJNZEKSP-WMZOPIPTSA-N 420.535 0.796 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)c(F)c1 548547320 CJVDGGONQJOXPP-UHFFFAOYSA-N 424.454 0.920 30 20 HCED CN(C)c1ncc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1C 554183784 ORSNXZGXNKTHOD-KRWDZBQOSA-N 423.477 0.286 30 20 HCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2C1=O 556327914 ZGYRWNXESVMHFL-AWEZNQCLSA-N 419.397 0.797 30 20 HCED COC(=O)CN1CCC[C@@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 556988529 HBESPTSYVYFXAG-INIZCTEOSA-N 422.507 0.180 30 20 HCED COC1CCN(C(C)(C)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 558526448 OTUQNSPKXCIFCD-UHFFFAOYSA-N 408.524 0.842 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCN1C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C1=O)CC2 559472705 ABADSSOUYLIFMT-CWLKWCNXSA-N 404.426 0.371 30 20 HCED C[C@H](COc1ccc(F)cc1F)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 560310145 UCQZSLXXTOOYDE-LLVKDONJSA-N 420.420 1.116 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2F)CC1 563973769 XDHYPEVWUDBWRN-OAHLLOKOSA-N 406.458 0.156 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 572416647 WUQRDCGJFXBJQW-UHFFFAOYSA-N 416.825 0.844 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 580221877 SDDSINGVJFEWBR-RDJZCZTQSA-N 417.485 0.619 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCCn2ccnc2)CC1 585774577 PJLUZKNPODVSNS-UHFFFAOYSA-N 411.466 0.865 30 20 HCED CN1CCC[C@H]2CN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC[C@H]21 587666495 VPWREBBOUUSWQD-PKOBYXMFSA-N 410.522 0.981 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)C2=O)cc1 588869844 OQCYLPSGDIIFNU-MOPGFXCFSA-N 420.473 0.836 30 20 HCED CN(CC(=O)N1CCN(c2ccc(C#N)cn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 604196002 ZLVMDRZSEQFGIJ-UHFFFAOYSA-N 424.486 0.794 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(C[C@@H]4CCCO4)CC3)CC2)o1 610002754 KFJNGDLXRHFJPL-SFHVURJKSA-N 416.526 0.690 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1S(=O)(=O)NCC#N 611157014 CGODMAMYTYHXSI-INIZCTEOSA-N 417.491 0.793 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)C1=O 614738277 FWWIEYOORVXQBK-UHFFFAOYSA-N 423.403 0.545 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)ccc1Cl 615634719 ISFJNYYRCNJJHD-OAHLLOKOSA-N 402.835 0.993 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CC[C@](F)(C#N)C2)c(O)nc1=O 615636064 QIODTERNNKXBPU-DJJJIMSYSA-N 424.477 0.637 30 20 HCED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 619568119 JLBXHQLTHAEOIG-INIZCTEOSA-N 403.458 0.752 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(CN3CCOCC3)c2)C1=O 623222993 RTRRRCARSJXOAU-UHFFFAOYSA-N 400.435 0.112 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1CC(N)=O 677959516 QYDBYAATMRVOET-UHFFFAOYSA-N 424.404 0.537 30 20 HCED CC(C)CN1C[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1=O 681341391 YLHNZYNTBGWJEJ-HDICACEKSA-N 418.538 0.231 30 20 HCED CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727008982 YWVXALYOXSQLDT-INIZCTEOSA-N 401.419 0.775 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1 727750685 AHLQTFWGVWGXLC-GOSISDBHSA-N 419.503 0.452 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cn2c(S)nnc2-c2cccs2)CC1 728533245 FDGWXJUMQMBOPX-UHFFFAOYSA-N 404.521 0.189 30 20 HCED C[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)N(C)CCC#N 729754681 RQXFSBHIOAKYPU-CYBMUJFWSA-N 424.479 0.088 30 20 HCED C#CCN1CCC(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 732647066 NYVCYQMMPXHYJH-UHFFFAOYSA-N 405.524 0.447 30 20 HCED COC(=O)CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 742956071 KZONZGCIOCEEKB-ZDUSSCGKSA-N 423.491 0.684 30 20 HCED C[C@H](C(=O)OCC(=O)NCc1cccc(C#N)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745445525 MEESKVAXXDCJSA-KHORDMKYSA-N 411.414 0.269 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 747742840 ZUFXNIMWQHAHHW-UHFFFAOYSA-N 402.476 0.480 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccncc2)CC1 747805284 ZFTCYHGAJQUGLZ-UHFFFAOYSA-N 414.443 0.643 30 20 HCED O=C1NCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccccc1 748786615 SZXPYSVAAWFRQL-SFHVURJKSA-N 412.471 0.815 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)CC1 749665524 DRNVUPCCUMDXMM-UHFFFAOYSA-N 415.450 0.028 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)C1=O 751070774 LOUKYLNLEOBCGD-CYBMUJFWSA-N 414.418 0.511 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccccc2C)c1=O 758066492 BNJMTLLHUDQTJW-UHFFFAOYSA-N 409.511 0.897 30 20 HCED COc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(N)=O 758641876 CNDZYXVXFRIOCL-RISCZKNCSA-N 424.479 0.831 30 20 HCED N#Cc1ccc(O)c(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c1 759720601 OEHMXOJTOPBFTR-LBPRGKRZSA-N 400.416 0.903 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC1 760815032 GSCXCUUANRJBGR-UHFFFAOYSA-N 409.240 0.865 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2cc(=O)oc3cc(O)c(CC)cc23)CC1 761032558 KHSMUPXTUPQPCA-UHFFFAOYSA-N 405.476 0.646 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\C(=O)c1cnc(O)n(C)c1=O 761805647 JHIMEPRPSQTRTE-UMBAGQNISA-N 412.855 0.900 30 20 HCED COCC#CCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 762753375 NUPHPHAYNOTCBJ-ZDUSSCGKSA-N 406.254 0.281 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1nnc(S)n1C1CC1 765469966 PGBRCOPIXGUAAE-LLVKDONJSA-N 420.520 0.799 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)c1 766271927 XJVQYKBGELUSJK-HNNXBMFYSA-N 413.521 0.469 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCOC 767956715 WMHMDNPRMHVUGY-UHFFFAOYSA-N 419.503 0.422 30 20 HCED N#Cc1c(Cl)nsc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 771241169 WEEJHOHGGIFGOH-VIFPVBQESA-N 410.930 0.307 30 20 HCED COC(=O)C[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCOC1 771654136 JNZASPFTBAFFHT-UGSOOPFHSA-N 409.464 0.454 30 20 HCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 773984524 UQYVPFOHRZSWCB-HNNXBMFYSA-N 407.386 0.682 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 775191097 MAMQNFKNCCNSIG-PFKVCDDJSA-N 422.507 0.739 30 20 HCED C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)S(N)(=O)=O 779603138 IRZLYXLXVUXDEU-PFMFLNCGSA-N 417.513 0.298 30 20 HCED COc1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)cc1[C@]1(C)NC(=O)NC1=O 780887878 QUUKOAGIXMCFST-SFHVURJKSA-N 415.431 0.495 30 20 HCED COC1(C)CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 784864587 VTDNWWBBQSDNOI-HKWRFOASSA-N 408.480 0.685 30 20 HCED C[C@@H]1[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C 786456784 MRESQAJKTJUDMP-MGPQQGTHSA-N 413.496 0.598 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790026454 JJFWFINHGQVFFW-GFCCVEGCSA-N 422.492 0.894 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(-c3cnn(C)c3)s2)c1=O 800848602 SHOQBMYIQBQWNV-UHFFFAOYSA-N 424.511 0.487 30 20 HCED C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 805057370 GOHLJHGIGUSCTM-GOEBONIOSA-N 407.515 0.852 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)n1 809542942 IFHNCGXDPRHGTO-IPMKNSEASA-N 414.506 0.955 30 20 HCED O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc(C(=O)NO)cc1 819552443 VSDZRPDXHVUNQI-KRWDZBQOSA-N 404.467 0.135 30 20 HCED Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N[C@H]2CCCN(O)C2=O)c1 820476586 NEBAWBAPSWAAGZ-ZDUSSCGKSA-N 404.452 0.656 30 20 HCED C[C@@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(N)=O 822354876 PMYPYXIALIXNSN-LLVKDONJSA-N 410.452 0.412 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 918439552 STLNEFJWXKJPFU-UHFFFAOYSA-N 423.454 0.790 30 20 HCED C=CCCO[C@@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1073546836 QXJJOISEIBTIMS-LBCBGTHCSA-N 403.523 0.746 30 20 HCED N#CCn1c(CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2ccccc2c1=O 1116324579 VKWCPHRKYDKWCA-HNNXBMFYSA-N 401.492 0.225 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1252397043 MGEJARRPOZJDPE-IKZORZIJSA-N 411.480 0.098 30 20 HCED Cn1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)n1 1298842863 PGLPXOMSVBUKRQ-AWEZNQCLSA-N 412.479 0.780 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@]4(CCS(=O)(=O)C4)C3)CC2)o1 1307775416 JXHROGBOGTUFQN-IBGZPJMESA-N 421.523 0.404 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)OC 1344432243 RESBESNYNCMTAN-LLVKDONJSA-N 404.828 0.693 30 20 HCED C[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1nnnn1C 1346274803 RJBUIJFRLDYBKV-BTNWAMHGSA-N 406.472 0.906 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1539118631 PAEHXHSHYWRLTD-SNVBAGLBSA-N 402.270 0.837 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1541989502 NCLDZKDZWOPPBX-ZWKOTPCHSA-N 404.496 0.953 30 20 HCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1555582852 PJKITRJKVZCFMJ-UHFFFAOYSA-N 407.482 0.877 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1589394763 OKTXLHGVULDFLZ-NEPJUHHUSA-N 409.288 0.949 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](c2cnn(C)c2)C1 1625108708 TUJXEVHMFHXWKR-QANKJYHBSA-N 417.491 0.995 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 1627514118 RSIZRFLJFVBIIB-MRXNPFEDSA-N 423.520 0.357 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1628508375 PXTKKYIWJLTPFQ-UMVBOHGHSA-N 405.838 0.947 30 20 HCED CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1697022424 MVQJRSNCTFBODD-UHFFFAOYSA-N 412.479 0.792 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccn(C)n1 1723780807 VIAITCDYNPSOPK-DZGCQCFKSA-N 422.515 0.131 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cnnn1C 1741920163 JWVPWZWVDIQPAQ-LBPRGKRZSA-N 407.504 0.195 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OC)C1 1768292996 QGVFRCVRTORDMP-INIZCTEOSA-N 404.496 0.981 30 20 HCED Cc1nc2ccncc2cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778442538 ZYSOAEGGQWNOIQ-NRFANRHFSA-N 408.414 0.470 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)NCCC)CCO2)C1 1778968760 VLILLVZOJDUDTD-HRAATJIYSA-N 409.527 0.696 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779537758 PHPMOPOXBJDJFC-GCKMJXCFSA-N 402.495 0.885 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 1779599638 DBHXGNBJHRXZSD-ZXYWRSMDSA-N 419.438 0.484 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1780802553 GLFYOIKHGJHNLU-RZQQEMMASA-N 424.498 0.753 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)NC2)CCO3)cc1 1781784109 QWLPKBNGNRWDAH-GCJKJVERSA-N 410.474 0.722 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc(O)nn4)CCO3)C2)c1 1781960029 DTOFJJPKTIOHGH-HXUWFJFHSA-N 411.393 0.950 30 20 HCED CCOC(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1782040652 GENXUURKCZSHPN-NRFANRHFSA-N 414.414 0.395 30 20 HCED CCC1(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)COC1 1782948804 OLCIXUOTMHKJJG-WXRQGEQDSA-N 409.483 0.772 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4n(n3)CCCNC4=O)CCO2)C1 1783109206 HNOPLUJTALMBGL-QVKFZJNVSA-N 415.494 0.672 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783395721 ULMDQZNQPIEORU-YWZLYKJASA-N 409.483 0.379 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1)C(F)(F)F 1783634084 PUSLDXYKWYMWNV-RFGFWPKPSA-N 403.401 0.611 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1 1784385173 OINDGTPCXQISID-OVWQWFNUSA-N 421.494 0.223 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1784500972 ADIPUZFXYUOTDG-OTRWWLKZSA-N 421.454 0.362 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788135398 BZSAPOKIJIZCDD-QZWWFDLISA-N 409.483 0.400 30 20 HCED C=C(C)CC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1788734159 QDFLXHFMLDQUQM-JYJNAYRXSA-N 420.510 0.510 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(CO)on4)[C@H]3C2)c1 1789377056 RWAPFEVPEUYXRI-IEZWGBDMSA-N 410.430 0.946 30 20 HCED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1789882380 RUANDTUWAYJMIY-XJOINEQPSA-N 402.426 0.425 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)[C@@H]1CCCO1 1791033283 IXNNGIBHYXLEEE-VJANTYMQSA-N 404.507 0.844 30 20 HCED C[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1791261852 GSOLMPBXSYNRTO-PKIAMQTDSA-N 417.487 0.733 30 20 HCED CC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792426144 KHUDRMWOKDFUCA-ZATISSGFSA-N 412.490 0.605 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCN(C)CC1)C2 1792486747 XDDBSTWFXIDCOV-PMBNNVTJSA-N 418.538 0.166 30 20 HCED COC(OC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793166942 USVKIXQSEZMERT-JLVBRIDZSA-N 406.866 0.900 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)CS(C)(=O)=O 1793366379 HOGCDFVIVGKLJR-AYDFFVQHSA-N 404.554 0.176 30 20 HCED COc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)cc([N+](=O)[O-])c1OC 1795085132 LRVYGYZMGGTXOY-FVCICTRLSA-N 418.406 0.729 30 20 HCED N=C(N)SCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795275102 UCHQQJZUPIEYLJ-HGKCTWBKSA-N 400.504 0.644 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)c1Cl 1795858697 AHRYXYOJLCKALG-FVCICTRLSA-N 415.841 0.102 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1Cc2ccccc2CN1 1796368312 CAWGOXFYFNQGBU-FSIJUFHLSA-N 413.518 0.882 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c(CC)c1F)C2 1797707387 KUYZIKPFOMUEHB-LMWOUKEDSA-N 408.474 0.888 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccccc1=O 1797935113 AIVFJUQBKWRTGP-KMOPNRPKSA-N 418.494 0.800 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(Cl)nc1Cl 1798030159 ZEDWOFYIPJSLFN-KEODLESXSA-N 412.229 0.680 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)C2 1798615102 OMPCSGDYGSABOX-LEHKBMDKSA-N 406.483 0.844 30 20 HCED CN1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)C1 1799118972 YFDAJPIPIVBKCQ-NPRGAOGOSA-N 402.495 0.630 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1799390552 ZGUHPYWUXRDKHD-ZJOBFFGXSA-N 422.442 0.182 30 20 HCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1)n1cnnn1 1799644340 DKURMVNMEBILMJ-RUGDWHBFSA-N 409.450 0.204 30 20 HCED Cn1cccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1=O 1803835111 HWDPPHITGWIKDW-BEFAXECRSA-N 408.414 0.188 30 20 HCED N#CCC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806080374 LUMXVLZYTPABAF-KBXCAEBGSA-N 407.434 0.255 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN2CCOCC2)[C@@H]1c1cccnc1 1806902994 YUKYQNJVSDWOAE-LMNJBCLMSA-N 414.506 0.458 30 20 HCED CN(C)C(=O)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1806944005 NDDVITOVTZADJF-ISOGNGSLSA-N 414.510 0.647 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@@H]2c2cccnc2)c1 1808256305 KXLNKVQFSXIHDJ-ONTIZHBOSA-N 420.517 0.878 30 20 HCED C#CCCC(=O)N1CC[C@@H](CNC(=O)CCNC(=S)NC)[C@@H]1c1cccnc1 1810309251 AIRWTBKDVVWCAT-LPHOPBHVSA-N 401.536 0.985 30 20 HCED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1812528100 DMOJXDUXTSTMLN-HNAYVOBHSA-N 406.446 0.364 30 20 HCED C=CCOCCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817245022 GRXMMOHJQDKYOB-HOCLYGCPSA-N 420.514 0.977 30 20 HCED N[C@H](CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)c1cccnc1 1822200372 KURWUEQSCFDLPD-ZBFHGGJFSA-N 410.434 0.975 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=N)N)CC1 1826827536 IKUXHIGWSPZPNJ-MRXNPFEDSA-N 407.515 0.599 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC[C@@H](N)C(N)=O)CC2)c1 1826934952 JYXBZDZHAGZXMN-AEFFLSMTSA-N 414.510 0.712 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC=CCC3)C2)C1 1829762730 PLOAAZKQIZUJKP-LKWHPCHFSA-N 417.506 0.658 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1830638062 FVLKBXNQGXUPOE-HXUWFJFHSA-N 404.467 0.954 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nc(O)c3)C2)C1 1831393418 LPQOPILCCCWUFM-IIBYNOLFSA-N 417.462 0.204 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@]3(F)Cl)C2)C1 1831401964 KRGSDLHVNPVIDD-DTTOXWODSA-N 402.850 0.406 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831424517 KYHKFUCNPQMOGN-KSSFIOAISA-N 414.528 0.051 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1831425954 XXDJIDBYHHUUEO-DYESRHJHSA-N 405.495 0.995 30 20 HCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)no1 1832934123 WGRXUVZSPYGODR-LJQANCHMSA-N 403.439 0.071 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833086803 DVIAOLWFQGBCKV-UTKZUKDTSA-N 420.510 0.221 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(CC)c3F)CCO2)C1 1833734578 VZRBRVXWGYHHMI-VLIAUNLRSA-N 424.473 0.772 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2)CCO3)cc1 1834031873 HVWZIOFFZPKPPI-QFIPXVFZSA-N 421.457 0.926 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1834605533 BYMWVMSFQZBOQY-UHFFFAOYSA-N 402.455 0.377 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1834759992 CQLZHXTXZANTPL-FQEVSTJZSA-N 413.434 0.039 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccc(F)c3)CCO2)C1 1835021008 OXYRDXCSNDDNIO-VGSWGCGISA-N 418.465 0.863 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)[nH]3)C2)C1 1835100420 RSLALQHTNRVDCI-OAQYLSRUSA-N 410.430 0.237 30 20 HCED CC(C)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835882870 OBMUEQFXZBJKKF-OAQYLSRUSA-N 423.558 0.113 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccccc4=O)CCO3)C2)C1 1835993539 ZQKACJFJZIIXSL-NRFANRHFSA-N 401.463 0.271 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cnccn1)CCO2 1837485016 HBEWXODLVOPUSD-JXFKEZNVSA-N 401.467 0.147 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839682767 GOEBMCDEBNBSML-IFXJQAMLSA-N 409.439 0.308 30 20 HCED Cc1ccc([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044624 OHWXIRBILQAJAR-VGOFRKELSA-N 414.458 0.643 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840233675 XXOCBHYUMUKKAC-LAUBAEHRSA-N 405.495 0.163 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840599243 MHFHKOKUHZOKEM-HAXCLKPSSA-N 421.494 0.772 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1841600468 BWWQUUFBTFUQRO-MRXNPFEDSA-N 410.474 0.582 30 20 HCED COc1cc(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)ccc1[N+](=O)[O-] 1845148621 ADLBJFOGXVELLA-UHFFFAOYSA-N 401.375 0.437 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)c(C#N)c1 1846460925 VJWORTANXSBQRX-UHFFFAOYSA-N 422.441 0.238 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(C)(=O)=O)cn1 1847801489 XLGAYSSRYAWMCR-COXVUDFISA-N 405.476 0.339 30 20 HCED CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1 409543590 GJHUREYXNSPYFK-MRXNPFEDSA-N 409.468 0.375 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)C1=O 410115336 KNCKZLXGWITSGP-OAHLLOKOSA-N 407.492 0.995 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CC(=O)N4C)CC2)c1C#N 435307248 PUFSWMBFBHHGON-UHFFFAOYSA-N 421.461 0.406 30 20 HCED C[C@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 438644034 AYGDSJWMFSPJDV-OAHLLOKOSA-N 422.507 0.525 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)C1=O 440270402 JUFOFSVILPULPV-MRXNPFEDSA-N 403.435 0.812 30 20 HCED CC(C)OCCOC[C@@H](O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443167315 CCCINZLGHHXQJI-ZDUSSCGKSA-N 401.441 0.889 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCO[C@H]3CCOC3)CC2)cc1 464754126 VQPITUNHVHCKTC-KRWDZBQOSA-N 422.507 0.770 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(F)c1 467146027 GLKJUOFHVZQRBZ-UHFFFAOYSA-N 412.418 0.292 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 467167008 ZGTVWMMUKVGVRR-UHFFFAOYSA-N 419.467 0.272 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)C1=O 467674821 VWEYDUAWKJOFEP-XIRDDKMYSA-N 409.508 0.268 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3c[nH]nc3-c3ccccn3)CC2)c1C#N 472864083 PZDNOKKBLJOPPY-UHFFFAOYSA-N 419.449 0.673 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc(OC)c1OC 480148808 BDBRBTUODMZMSB-UHFFFAOYSA-N 417.487 0.500 30 20 HCED COC(=O)[C@@H](C)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483416698 DHBMQIIBSBNVAB-CYBMUJFWSA-N 401.423 0.948 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(F)c1 489053721 RPMCUVLBGWSQFE-GFCCVEGCSA-N 403.457 0.011 30 20 HCED CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(CCC#N)CCN1CCOCC1 489212678 ZTCVBEZVABSDIL-SFHVURJKSA-N 400.545 0.655 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 491075184 IKFINMGMJUHUSG-UHFFFAOYSA-N 414.384 0.970 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCO[C@@H](C(N)=O)C1)CCCC2 497626221 KESKVLLZRKXRSE-KBXCAEBGSA-N 415.494 0.542 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 502343220 YFZYLWAFXDEHMB-UHFFFAOYSA-N 406.917 0.737 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3nnc4ccccc4c3=O)C2=O)cc1 504102930 HSEODUIFXBQINM-GOSISDBHSA-N 402.414 0.975 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 510148444 LRDQIGHXLCDBSI-CQSZACIVSA-N 414.509 0.032 30 20 HCED Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)NCC(=O)NCC#N 511898272 XUCJTQCGRDNYKG-LBPRGKRZSA-N 402.377 0.785 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc(OC)c(OC)c1OC 513041493 MEWOZXSAVGINBP-LLVKDONJSA-N 421.406 0.579 30 20 HCED CS(=O)(=O)N1CCc2c(cccc2NC(=O)NCCCc2[nH]nc(N)c2C#N)C1 513927467 IFWAXOCQXINRIW-UHFFFAOYSA-N 417.495 0.936 30 20 HCED COC(=O)Cn1cc(CNC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)nn1 514031991 ALLDLQTZKOEYAH-HXPMCKFVSA-N 409.406 0.006 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)C1=O 520510490 ZCMRXZBVDFQACI-UHFFFAOYSA-N 408.436 0.672 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)c1 523180805 IFBXFAQJTLGOCV-UHFFFAOYSA-N 423.498 0.763 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OCC(F)(F)F)nc2)C1=O 523379122 XYSPOFLFSKICSA-UHFFFAOYSA-N 400.313 0.616 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)n(CCC#N)n1 533456279 BXJOOSOYTWLYMP-LBPRGKRZSA-N 407.377 0.878 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)CCO1 535351268 WITIULIJDUCODW-QGZVFWFLSA-N 405.418 0.807 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)n1 536979788 CXOPTWVNDSGVLZ-UHFFFAOYSA-N 414.470 0.349 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)n1 538103433 WSNXGXJIBGGVRF-CQSZACIVSA-N 404.496 0.841 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 538682084 DJOTVIIAEJUMJH-INIZCTEOSA-N 412.450 0.760 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@H](COC(C)C)C1 547447648 FFGFDMFCBFTOAU-MRXNPFEDSA-N 412.450 1.038 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CCC 549550994 OFOGHHNRWIDQEA-UHFFFAOYSA-N 415.519 0.358 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)nc1 550781383 SFOXHSTVNOHTAC-GOSISDBHSA-N 420.473 0.905 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2sccc2C#N)C1 550806292 IAPXJWQXBQIMMR-ZDUSSCGKSA-N 414.509 0.457 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCCN1C1CCCCC1 554490519 IATKWBBAELNGHI-MRXNPFEDSA-N 415.542 1.168 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1nnc2n1CCC2 555860433 HEFUASGWIUHVQV-CYBMUJFWSA-N 411.441 0.761 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 568306266 WYDQDRKBXAUPMV-LJQANCHMSA-N 423.521 0.962 30 20 HCED Cc1cnc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)s1 575630403 KLLXUDUOXJCSBU-UHFFFAOYSA-N 405.505 0.950 30 20 HCED C[C@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)c1cccc(C#N)c1 587705080 QQMYJDSGEVAAEY-ZDUSSCGKSA-N 410.521 0.230 30 20 HCED Cc1noc(C)c1CN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589300629 LKDNGZDFRSIYAV-UHFFFAOYSA-N 417.491 0.786 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2F)c1=O 603793178 SCUSGLMGJDEMTD-UHFFFAOYSA-N 405.426 0.640 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 603793697 WZWBIVZIBIWVQZ-UHFFFAOYSA-N 417.437 0.736 30 20 HCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 609336651 DPBILUWYXSYQQF-HDICACEKSA-N 404.559 0.806 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1F 609450798 SLBOHHFMWMFISW-UHFFFAOYSA-N 416.478 0.118 30 20 HCED C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 610406206 JIHIBBJLWLTJCB-RHSMWYFYSA-N 408.466 0.712 30 20 HCED CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 615632185 NFVJQORNPVWHHP-FQEVSTJZSA-N 401.442 0.753 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)C1=O 726042936 PMQLOCSAIZDQPL-AICCOOGYSA-N 405.451 0.836 30 20 HCED COc1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1S(=O)(=O)NC(C)C 731772025 ITWMOSATDQHLAW-UHFFFAOYSA-N 407.452 0.889 30 20 HCED CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)CS(=O)(=O)CC 733122027 QLVUVSPRJKOADP-GFCCVEGCSA-N 401.510 0.397 30 20 HCED CCN(CC)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 735585700 MHURXVKAHGTVJQ-OQKWZONESA-N 423.539 0.896 30 20 HCED CCOC(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742467420 CVCXCZKNOKTMSW-ZDUSSCGKSA-N 408.480 0.804 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cn1 744827005 BPJJMFCBDHYJHG-UHFFFAOYSA-N 415.435 0.195 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCNCC1 746285775 WRRSXBMHJKJMQV-KRWDZBQOSA-N 421.567 0.695 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC)C(=O)N2CCOCC2)ccc1F 752482185 FWBZBSKJISMZNL-OAHLLOKOSA-N 413.471 0.657 30 20 HCED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 756772855 PZKUFHAMWHQVNA-UHFFFAOYSA-N 408.524 0.937 30 20 HCED COCC(=O)N(C)CC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 759232979 WXJDVKZDOPWDEZ-MRXNPFEDSA-N 412.450 0.385 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 761330407 DITMXYJTJCUILC-QGZVFWFLSA-N 408.480 0.950 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 764025557 MJVMLVLQRDDRBX-SJKOYZFVSA-N 414.484 0.539 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CCOc3cccc(OC)c3)CC2)CC1 766159788 BSTMKYJTYUSMSJ-UHFFFAOYSA-N 400.523 0.469 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)CCC(C)(C)O3)c(=O)n(C)c1=O 771898479 YMLBNMPHCXUROR-UHFFFAOYSA-N 406.464 0.500 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCc2ccccc2[C@@H]1C(=O)OC)c1cc[nH]n1 772327896 BFONVHAVSZNNKG-GOSISDBHSA-N 414.418 0.993 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1 772545069 FNVASZJJZYNYRF-UHFFFAOYSA-N 401.448 0.932 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(CCC)c2)c1=O 774540754 FOWFQMBTELJMHB-UHFFFAOYSA-N 409.511 0.761 30 20 HCED C#C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)[C@H]1CCCO1 776228593 ABWPWMWPFQYTJJ-QZTJIDSGSA-N 419.503 0.738 30 20 HCED C#C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1CCCO1 776231295 OSFLQRPIZLRTMC-CVEARBPZSA-N 421.475 0.311 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C1=O 779217083 OXKWRORDBOMNNS-UHFFFAOYSA-N 404.370 0.239 30 20 HCED CNC(=O)Cn1cnc(NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)n1 782810203 JRUVTKPBYFOFGO-UHFFFAOYSA-N 423.458 0.879 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCC(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 783482011 SXYRDWBIHMEBHH-OAHLLOKOSA-N 422.459 0.216 30 20 HCED COc1cc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)sc1S(N)(=O)=O 784072206 VJLPURYIKDDOTJ-UHFFFAOYSA-N 409.405 0.381 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 787105367 LMTULUNWWUUWDA-KRWDZBQOSA-N 400.483 0.241 30 20 HCED C[C@H](CC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)/N=C1/NS(=O)(=O)c2ccccc21 792542794 YKRDSTMUDBODDL-PJIJBLCYSA-N 407.492 0.910 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 799287579 RTSAMJKRGWPXFE-AWEZNQCLSA-N 411.480 0.165 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)Nc1ccccc1C#N 800233407 WHFVBCRCUYRQFV-GFCCVEGCSA-N 402.432 0.989 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)NCCNc1ncccc1C#N)C(F)(F)F 805769720 SIYHGBHDUNENIK-NSHDSACASA-N 408.406 0.487 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1)[C@H]1CCCO1 809312801 PIBLTWZZABAKLA-IXDOHACOSA-N 402.426 0.845 30 20 HCED Cc1ccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 821703413 KFWVEONNADOBGE-UHFFFAOYSA-N 401.444 0.893 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 915621612 NDONKFZISDXPDI-GOSISDBHSA-N 405.520 0.971 30 20 HCED COc1ccc(C(=O)[C@@H](C#N)C(=O)NC(C)C)cc1S(=O)(=O)N1CCOCC1 916946920 PRYGHHVQJZZCKT-CQSZACIVSA-N 409.464 0.563 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 916965868 JQUFSMUNSMHPEU-RBZFPXEDSA-N 412.402 0.826 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(OCC(N)=O)CC2)CC1 1116474269 CEMBGMLSFCSNTD-INIZCTEOSA-N 405.524 0.423 30 20 HCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1291189817 ITDXNTBRTLFILI-CYBMUJFWSA-N 417.495 0.033 30 20 HCED CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1303143188 YUKFWCRRLYMSMN-UHFFFAOYSA-N 403.439 0.680 30 20 HCED C[C@H](C#N)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1318426978 SBULSEALAXDIJU-XHUMFFGVSA-N 413.521 0.656 30 20 HCED N#CCN1CCC(CNC(=O)CCCC(=O)NCC2CCN(CC#N)CC2)CC1 1319072817 YOHMVHWMANSKCU-UHFFFAOYSA-N 402.543 0.860 30 20 HCED CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1322847107 QJKXFQIBGJRGFI-ZCXUNETKSA-N 406.464 0.470 30 20 HCED C#CCC[C@H](O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1325130071 MHDVHKFBEGTJIA-BBRMVZONSA-N 414.911 0.764 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)C(F)F 1337514329 HSSKPFOEUNGVDW-JTQLQIEISA-N 409.436 0.808 30 20 HCED CN1CCN(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1443497829 UGKUINFDXXCQSB-SFHVURJKSA-N 424.505 0.423 30 20 HCED CS(=O)(=O)N=S1(=O)CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 1473501053 VRCRUIVJRQEJOP-GFCCVEGCSA-N 402.523 0.468 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1521115482 WTANMAXORUCEBL-OAHLLOKOSA-N 422.511 0.762 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCN(C)C1 1546532801 VBAITZMBIBFEQN-QRWLVFNGSA-N 411.514 0.284 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)C1CC1 1614028769 OTNFTAMCZPFRFW-AWEZNQCLSA-N 409.498 0.743 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CCO1 1618694975 ZMIIPEHIEUAPPI-SFHVURJKSA-N 420.477 0.744 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@@H](c2ccc(O)cc2)C1 1642745308 OTJJCFIXLWCNIP-MRXNPFEDSA-N 400.460 0.604 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N[C@H]2CCOC2)C1 1645423048 MECAVJKTEWZGBF-YOEHRIQHSA-N 420.535 0.873 30 20 HCED CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1662972140 ZWWCQMHAQADDSG-NSHDSACASA-N 408.299 0.633 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1696876788 RXTJHCQSBQMVSE-UTKZUKDTSA-N 409.494 0.585 30 20 HCED CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1697122962 VGTLIIKNUZLKAF-HIFRSBDPSA-N 412.516 0.386 30 20 HCED C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1708039775 SKDOVSHRPFNJLS-BSXFFOKHSA-N 409.512 0.460 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1741131820 VGFIGTUJIPFKFO-BBRMVZONSA-N 411.466 0.737 30 20 HCED CO[C@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749224777 KKBNLTMBNDRLKY-AEFFLSMTSA-N 414.514 0.878 30 20 HCED 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N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(F)(F)Cl)C3)C2)c1 1838742209 YLPLGYCTWSWSNT-HNNXBMFYSA-N 402.785 0.788 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839223693 DYFKIEBYQZDWNY-UZLBHIALSA-N 421.498 0.599 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1839223753 HHGRMKHSPPTRHB-OXJNMPFZSA-N 404.467 0.953 30 20 HCED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1839831038 XCAPAQRVTIPEJD-NRFANRHFSA-N 415.446 0.616 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840023730 CMEBTGDOZDFUEN-DROOOQRISA-N 408.476 0.324 30 20 HCED CC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)N(CC)CC 1840157299 KQRUDDKRLUXFCW-FRQCXROJSA-N 401.573 0.882 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840161092 DGDCAZVZQRQBDX-KUHUBIRLSA-N 408.524 0.608 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840162047 KJUHYBRRJRKZCF-PIGZYNQJSA-N 401.435 0.748 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1840168871 WQFCXBKOXILDPM-FQEVSTJZSA-N 402.451 0.359 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840455454 PDMJMDKCSILISL-UTKZUKDTSA-N 401.463 0.719 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840538512 JTAPRXIBGYHOMI-UGKGYDQZSA-N 413.474 0.859 30 20 HCED CC(C)(C)OC(=O)N1[C@H]2C[C@@H](C[C@@H]2O)[C@H]1C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623823 HEVXUJQTHIGXHU-JKQORVJESA-N 418.494 0.862 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842796036 YCFWHNMLEFFGFX-LSDHHAIUSA-N 420.510 0.938 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1846650591 XIRLGSOYAHZRJH-KKJJZKEWSA-N 402.451 0.940 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)C1 1846892074 WWGUFPVPFNWHGL-UHFFFAOYSA-N 407.382 0.021 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccs1 1848219577 ADWSKENCRWMOIG-GJZGRUSLSA-N 417.535 0.962 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nncn1C 46962231 DGUFDGPZVMPOCE-ZDUSSCGKSA-N 403.468 0.464 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 105580887 DZOVLQJUKLNFKL-QGZVFWFLSA-N 405.476 0.062 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)o2)c1=O 440377756 IWSAAKPTIVBABH-UHFFFAOYSA-N 400.460 0.440 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C#N)o2)c1=O 440381465 LOJQUQXSSMUTJR-UHFFFAOYSA-N 412.471 0.606 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O 445101847 CHXOZQQRYOMXPP-LSDHHAIUSA-N 417.495 1.429 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCOCC1 460609160 WDXDIXDTFTULOH-QGZVFWFLSA-N 411.466 0.550 30 20 HCED Cc1nccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 460661469 KEWLRDKTTCSIDG-UHFFFAOYSA-N 417.433 0.525 30 20 HCED N#Cc1ccc(F)c(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 464056487 ZYVCWEJTSYOJST-UHFFFAOYSA-N 416.434 0.748 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1ccccc1 465268320 LQVRPVBAUMSPID-OAHLLOKOSA-N 414.491 0.754 30 20 HCED COC(=O)CN(CC#N)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 471153627 HSGQJJUDUJXZPA-UHFFFAOYSA-N 412.406 0.453 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCc3c(C)nc4ncnn4c3C)CC2)c1C#N 471708003 YHMPMSFXIXWOMT-UHFFFAOYSA-N 407.482 0.936 30 20 HCED CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CS(C)(=O)=O 482153934 RPIUVGIDCITWIL-QWHCGFSZSA-N 401.510 0.507 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 485694799 LRAUUQLSGWANJD-UHFFFAOYSA-N 415.519 0.821 30 20 HCED Cn1cc(S(=O)(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O 487444665 KXQMJVZKRLGQBE-UHFFFAOYSA-N 401.366 0.433 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488610208 IVPCRIBZYPTBFS-OAHLLOKOSA-N 407.434 0.270 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(NC(C)=O)c2)CC1 491017080 FFRAEVGCJMKJKQ-UHFFFAOYSA-N 421.885 0.683 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@@H](CC)CO)CC2)cc1 494341918 RXMAEEARQAYFEE-KRWDZBQOSA-N 403.483 0.848 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)Cc2ccccc2OC)c1=O 498429180 HMYJNIDLUKAYPJ-UHFFFAOYSA-N 400.435 0.211 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 500388073 YDTSMZPSYIKTBB-IYBDPMFKSA-N 421.523 0.739 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)c2ccc3c(c2)OCO3)n(C)c1=O 505659664 KBKZZBYXZFRDJM-UHFFFAOYSA-N 408.439 0.603 30 20 HCED C=CCOc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1OC 505963107 VOICJXPPNGKPRB-KBPBESRZSA-N 410.492 0.929 30 20 HCED CN(CC(=O)NC1CC1)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506095895 YEUUAXMVJJQCIQ-UHFFFAOYSA-N 412.450 0.665 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)N2CCCC2)C1 508733958 PEEGOLHWRPLXNO-HNNXBMFYSA-N 408.528 0.704 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 508811596 ICQCRSLGISDCOK-CYBMUJFWSA-N 411.557 0.853 30 20 HCED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508860255 YXPITQBLFVGFQD-UHFFFAOYSA-N 417.514 0.310 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1C 509386701 RVLOVKLOSLWFLH-UHFFFAOYSA-N 411.512 0.714 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 510003723 AQZYJEGCKUNIDV-INIZCTEOSA-N 415.560 0.016 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@H](C(=O)N4CCCC4)C3)n2)cc1 510641267 YIKXLBRKMNNSQF-KRWDZBQOSA-N 421.461 0.607 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCCOCC 512772111 VHZNKIWSSHCKIL-UHFFFAOYSA-N 415.519 0.358 30 20 HCED C=CCN(C(=O)NCCCN1C(=O)CNC1=O)[C@H](C)c1cccc(-n2cnnn2)c1 518736257 JKXAHDAUPQKUKQ-CQSZACIVSA-N 412.454 0.863 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OCC)c2ccc(F)cc2)C1=O 523382118 VDEQKSRKQRWTKW-AWEZNQCLSA-N 405.382 0.913 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCOCC 523476799 NAPAZLJELKDZRS-UHFFFAOYSA-N 413.499 0.760 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Cl)c(F)c2)c1=O 523735631 IYWLGYNYDOCETP-UHFFFAOYSA-N 409.870 0.988 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 532041201 LAMTYEBIRDAXFO-CQSZACIVSA-N 401.442 0.791 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 538166777 GLJJBGUBYJPJBR-UONOGXRCSA-N 400.439 0.717 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](CN2CCOCC2)C1 543223322 YAAFWQXOKIIYRS-QGZVFWFLSA-N 416.478 0.703 30 20 HCED Cc1noc([C@@H]2COCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 547804634 VIRSTJUGGNNDBC-HNNXBMFYSA-N 405.436 0.470 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1 554297211 KFSNTRQFDCTBOA-UHFFFAOYSA-N 400.418 0.255 30 20 HCED N#CC1CCN(C(=O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 557298341 FMXZSFLNDHZJAA-UHFFFAOYSA-N 417.897 0.867 30 20 HCED CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 558530234 PAYCMNQMRHMVHG-UHFFFAOYSA-N 418.479 1.403 30 20 HCED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NCc2cccc(C#N)c2)cc1 559723526 WNKXKIVOLNVTPE-UHFFFAOYSA-N 414.487 0.920 30 20 HCED C[C@@H]1CCCN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 560326979 WWWWGTZXIIXPLF-CQSZACIVSA-N 403.531 0.881 30 20 HCED Cc1c(I)cn(CCN2CCCS2(=O)=O)c(=O)c1C#N 564390491 RUQJLXGQOURMQF-UHFFFAOYSA-N 407.233 0.669 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3cn4ccccc4n3)CC2)nc1 565307820 NCQHSEUTVWOGPL-UHFFFAOYSA-N 403.446 0.608 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCOc1ccccc1Cl 573151255 WLQZJGYMRFCLQT-UHFFFAOYSA-N 404.858 1.103 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 579996685 IVAQJGHJTVYQDY-IBGZPJMESA-N 414.506 0.645 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 583894495 WYSWFTUYVXKIOA-ROUUACIJSA-N 408.543 0.344 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(CCOC)C2)cc1 584423757 VFYRXELBCYMKMT-UHFFFAOYSA-N 414.462 0.714 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N[C@@H](C)c1cccc(C#N)c1 587703974 LKISENSHRCLSGK-IYYOBANKSA-N 413.430 0.687 30 20 HCED C[C@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 588128726 IAPFPNGEUSQUNE-PXNSSMCTSA-N 413.522 0.496 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3F)CC2)cc1 589469713 LHXRGMVPHOGLHT-UHFFFAOYSA-N 403.439 0.719 30 20 HCED CC(C)CN(C(=O)Cn1cnnc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 590653883 AWQLWOFEMVWZFM-UHFFFAOYSA-N 422.449 0.732 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 604168667 HSQHZBMUNOAFRM-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 609598925 HGLVKKWJOIDRKG-INIZCTEOSA-N 406.512 0.645 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 610245107 SEDWEGVVVQBHCU-UHFFFAOYSA-N 412.471 0.076 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 610548169 LTHUQPGTETWWQM-QGZVFWFLSA-N 403.464 0.751 30 20 HCED CN(C)c1ncc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 611053012 GRJFKRFMBZYHPF-UHFFFAOYSA-N 410.438 0.567 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN1CCO 614957675 OABFHNQMYJZSDX-UHFFFAOYSA-N 411.466 0.052 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](N4CCNC4=O)C3)C2=O)cc1 617057383 PUBXIUHPEHLVPJ-ROUUACIJSA-N 410.478 0.858 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 737859555 BNEPLSGLQQWKTO-CYBMUJFWSA-N 421.431 0.149 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 747853311 ORINKIITIMOALW-UHFFFAOYSA-N 406.508 0.407 30 20 HCED C#CCN1CCN(C(=O)CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)CC1 748818871 ZMZPLLICDSVAGV-UHFFFAOYSA-N 424.489 0.052 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2sccc2C)c1=O 758053224 GQZDVMIFWJRVAX-CYBMUJFWSA-N 401.513 0.567 30 20 HCED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767675985 MEYPJCIKMCIPFI-VXGBXAGGSA-N 410.452 0.391 30 20 HCED COC(=O)CCc1nc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 767681216 PXLSYSSNSGWYCS-NSHDSACASA-N 422.419 0.457 30 20 HCED Cc1nn(CC(=O)OC(C)C)c(C)c1C=NNC(=S)NCCN1CCOCC1 768352729 RFTKNAYHOOBDSM-UHFFFAOYSA-N 410.544 0.582 30 20 HCED N#C[C@H](C(=O)Cc1ccn(-c2ccc(F)cc2)n1)C(=O)N1CCS(=O)(=O)CC1 768778550 BMGMJACWIPWHCI-MRXNPFEDSA-N 404.423 0.520 30 20 HCED COCCCS(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 770165157 GZGLVXSMDQXHJR-UHFFFAOYSA-N 403.844 0.649 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCC1 771080810 RTTASERVBHBDST-UHFFFAOYSA-N 416.459 0.198 30 20 HCED C#CCN1CCN(C(=O)CN[C@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 775066610 PGZMDLQGUGOSNT-LJQANCHMSA-N 400.523 0.972 30 20 HCED C#C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 775330907 WXVFQMQSSBLZMD-HOTGVXAUSA-N 408.476 0.813 30 20 HCED COC(=O)C[C@@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1 776942156 KJMHLBKTLMZPJZ-LJQANCHMSA-N 416.459 0.715 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 785288864 YEJBXGVYLKABOJ-MWDXBVQZSA-N 414.414 0.589 30 20 HCED Cc1nn(C)c(N2CCN(CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)CC2)c1C#N 788044920 RWDYYZFLGXQPHP-UHFFFAOYSA-N 422.445 0.680 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)o3)C2=O)cc1 796148650 MKZAUSUZLVEJIE-IBGZPJMESA-N 412.358 0.815 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)CC1 796768511 POZUMFFKJVMJGH-UHFFFAOYSA-N 416.409 0.709 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 796768916 VENWZNDJKWITPO-UHFFFAOYSA-N 414.462 0.046 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](CO)[C@H]2CCOC2)cc1C#N 797392075 LWBKQOVJRHEQIS-GXTWGEPZSA-N 404.423 0.826 30 20 HCED C=CCN1CC[C@H](N2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)C1=O 798364424 RQJLJTLNJITLJL-UGSOOPFHSA-N 407.423 0.537 30 20 HCED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC[C@@H]1NC(=O)OC(C)(C)C 805062159 ZQGZDBBILZVPFL-HOCLYGCPSA-N 407.515 0.852 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C#N 809005124 LURYNWAIMXSDQN-MLGOLLRUSA-N 410.434 0.227 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)C2)cc1Br 809125566 QTCQTDFCPLQHCL-ZETCQYMHSA-N 404.217 0.791 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 810407820 YPNORLKUABLYFT-KRWDZBQOSA-N 406.508 0.596 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(N3CCCNC3=O)cc2)C1=O 812759736 KOJJWITXINDQGZ-CYBMUJFWSA-N 413.434 0.760 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)c2cc(C(F)(F)F)ccn2)n(C)c1=O 813212660 FBJZWUZZAJWUSM-SNVBAGLBSA-N 406.324 0.724 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250744 YHYXBMDDDJFMKI-UHFFFAOYSA-N 405.430 0.032 30 20 HCED C=C[C@@H](O)C(=O)OCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 814548813 HBUCUNZWVKVQJP-MRXNPFEDSA-N 409.464 0.667 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 816127446 TWOGGYHHEZWWGM-LBPRGKRZSA-N 406.420 0.920 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 902507735 HWIIQQVARCYZLT-GFCCVEGCSA-N 413.452 0.168 30 20 HCED COc1ccc(C(=O)[C@H](C#N)C(=O)NC(C)C)cc1S(=O)(=O)N1CCOCC1 916946907 PRYGHHVQJZZCKT-AWEZNQCLSA-N 409.464 0.563 30 20 HCED C[C@@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)N(CCC#N)c1ccc(F)cc1 920640887 CYTVZSNNWYEBIT-CYBMUJFWSA-N 416.413 0.998 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1CCN(CCS(C)(=O)=O)CC1 1116017207 SVCZHPUTGSMPGM-UHFFFAOYSA-N 408.524 0.834 30 20 HCED COCC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1130302144 PUUOUBSOAJLUQW-TYZHSBRISA-N 403.523 0.679 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4cnccn4)CC3)C2=O)cc1 1251841811 BVKQCEXGNZTPOD-QGZVFWFLSA-N 419.445 0.902 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1286969857 SFSCWZRIMAMYQY-QWRGUYRKSA-N 404.443 0.157 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2cc(CO)nn2)CC1 1303941621 DTTKYXOEEIIMQS-OAHLLOKOSA-N 413.486 0.533 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)no1 1316101601 KXLOWHCSVCQTBG-CQSZACIVSA-N 408.484 0.891 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCN1CCCS1(=O)=O 1316536945 VFNIZEFTWZNVSM-INIZCTEOSA-N 408.528 0.948 30 20 HCED N#CCOc1cccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 1319947110 RWZCEOAUVZMCTJ-SFHVURJKSA-N 422.507 0.925 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)n1 1322286356 LZVUKIMEQFBDJB-QGZVFWFLSA-N 418.523 0.841 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)N=C3NS(=O)(=O)c4ccccc43)c2C1 1322452429 PEBHIDMFOJSGRR-LBPRGKRZSA-N 401.448 0.461 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1324257013 IOQAHENCTJSPEE-DZGCQCFKSA-N 402.451 0.945 30 20 HCED COC(=O)c1cccc(Cn2cnc3c(c(S(C)(=O)=O)nn3C)c2=O)c1C#N 1343937122 KZZHTSUDVFZRMY-UHFFFAOYSA-N 401.404 0.240 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1505140310 UYYTXBGBUZMNIY-OWCLPIDISA-N 424.527 0.672 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C)CCOCC1 1510223991 SBMZRMAAGPXTFB-UONOGXRCSA-N 412.516 0.434 30 20 HCED N#C[C@@H](C(=O)CCc1nnc(-c2ccsc2)o1)C(=O)N1CCS(=O)(=O)CC1 1515066716 LTKDHLWPWVUPAK-LBPRGKRZSA-N 408.461 0.697 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)Cn1c(=O)ccn(Cc3ccccc3)c1=O)CC(=O)N2 1535152263 SBLCNPFPTNRZGI-UHFFFAOYSA-N 415.409 0.915 30 20 HCED N#Cc1ccc2c(n1)CCCN2C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1537874801 KZBLSQRTIPLDGI-ZDUSSCGKSA-N 401.448 0.398 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1618636621 RTYWQISQEQDSCD-MRXNPFEDSA-N 405.466 0.956 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2ccsc2C#N)CC1 1629301748 KMJNBVGMODETDC-UHFFFAOYSA-N 407.496 0.909 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCOCC2)CC1 1638598521 JLQLXKWRLANZHV-UHFFFAOYSA-N 420.535 0.829 30 20 HCED CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 1662057482 TUIOVGVSXCVPJL-LLVKDONJSA-N 410.315 0.927 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 1729224306 ILPCGAGKVWFTQQ-UHFFFAOYSA-N 404.500 0.804 30 20 HCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC(=O)N1C 1743245836 RWEZPLJNWQHEEV-CYBMUJFWSA-N 402.480 0.528 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778476707 VCDTXHNSIGLBBN-IERDGZPVSA-N 413.478 0.746 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2)C1 1781857924 DHUYFXDZGBDOLT-LAUBAEHRSA-N 423.510 0.853 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCNC(=O)C2)CCO3)c1 1781969294 YLMMQNUSLHGFLE-YCRPNKLZSA-N 414.437 0.667 30 20 HCED CN(C)c1cncc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782010680 ICXJBIQPJPRHAT-DYESRHJHSA-N 414.462 0.363 30 20 HCED COC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c([N+](=O)[O-])c1 1782087463 BJJWCQLKSOTLLU-LJQANCHMSA-N 416.390 0.739 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CCC(N)=O)C3)C2)c(Cl)c1 1783153190 DWHDKTWTVPPRRJ-IBGZPJMESA-N 404.854 0.921 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](O)Cc4ccccc4)C3)C2)c1 1783341142 UHIMXBXLUCIEKD-SIKLNZKXSA-N 408.458 0.933 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1783567164 RXSDDKIDDAZITL-FQEVSTJZSA-N 409.402 0.003 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cscn3)C[C@@H]21 1784482517 OQHNXSPNKZLGBT-SRIISGBFSA-N 420.535 0.031 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784803439 JPCMFAUEIUYBLP-AVRDEDQJSA-N 419.570 0.971 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CNC(=O)c4cccnc4)[C@H]3C2)CC1 1785168515 MLZYVQJAPIXLRZ-ULQDDVLXSA-N 411.462 0.095 30 20 HCED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1785459153 CAVDTHDNGWMPKN-BJLQDIEVSA-N 422.489 0.913 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C\C(=O)NC3CC3)C[C@@H]21 1786562450 QYYYLQGJHRZVTK-CXCOUDOMSA-N 421.497 0.853 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21 1788570787 RHHIAYQFXVCZFF-XWJBARJFSA-N 406.479 0.866 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788713207 OJPFUIVBIKJRLN-HJWJTTGWSA-N 420.535 0.954 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1789954247 XZBLKJZMVLFHFY-UBDQQSCGSA-N 403.483 0.800 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)c(O)c(Cl)c3)[C@H]2C1 1790246113 MRDVPUWBJLAMHM-WBIUFABUSA-N 422.821 0.433 30 20 HCED 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C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798545413 MBQZKPUBIFQTAX-SCNOPHJPSA-N 408.520 0.969 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)n1nc(C)ccc1=O 1798586877 ZTEWDYQHFNPXRB-FJIDUMEYSA-N 414.506 0.963 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCC3)C2 1799394353 GEOKFOCKBMRVIJ-ZXFNITATSA-N 403.483 0.833 30 20 HCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC(N)=O)c(O)n1 1800514723 QOSQXOFIHBQRSQ-HBCWATKFSA-N 416.478 0.375 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(F)c(F)c1)C2 1800773861 ABZJMLYZWDIUGT-VTEUUUEMSA-N 406.385 0.575 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCSC 1801024472 NCVLPCBVILHHKI-DFGXFYAUSA-N 400.541 0.673 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1801454503 LLTRDEVETMMDDM-NZLQRSOGSA-N 416.526 0.814 30 20 HCED COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)C1 1801979709 YYTJPPNSJZQJLP-BPKGMFCQSA-N 403.479 0.859 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@@H]1c1cccnc1 1807367525 OLGJMZBTISYUJZ-KXBFYZLASA-N 423.498 0.626 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CN)[C@@H]1c1cccnc1 1814063291 GXHMTIXOIDPRFP-BBTUJRGHSA-N 422.489 0.324 30 20 HCED C=CCSCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](N)CCC(N)=O)sc2C1 1814800552 MIWNCVNLSZOKSM-QWRGUYRKSA-N 411.553 0.567 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815766374 TWIXLNNKPDNJCP-HUBLWGQQSA-N 422.511 0.954 30 20 HCED CC(C)(C#N)C(=O)N1CCC([C@@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825068870 JGIFYZZUAXEART-CABCVRRESA-N 403.483 0.754 30 20 HCED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1825256907 ZIIXVYXADQFOAI-NHCYSSNCSA-N 400.451 0.989 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)CC2 1825671217 FIILURZKFUGHJI-ZFWWWQNUSA-N 413.455 0.747 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nn(C)c5c4CCC5)C3)C2)C1 1829668324 KNYBBQLUOWFQEM-QFIPXVFZSA-N 414.506 0.945 30 20 HCED CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)COC1 1830034822 IZPIZCDYGJYCIB-QFIPXVFZSA-N 413.474 0.859 30 20 HCED CCN(CC)C[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221590 SSNPABFACZNBMY-XMSQKQJNSA-N 405.539 0.834 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3S)C2)C1 1831386623 BJJKSLQDBTZPGF-QRWLVFNGSA-N 419.503 0.479 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3O)C2)C1 1831391535 PZGHXSCGZFMKSI-IIBYNOLFSA-N 402.447 0.501 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CNC(=O)C2)CC1 1831409256 CNTMHJOAATWFLY-LUNNPTDRSA-N 416.522 0.601 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831875473 QEKVWRDLTNMYJM-HXUWFJFHSA-N 412.450 0.312 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832514125 LSOPVBDVQBTHAO-OGALPTFVSA-N 422.522 0.280 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1833466421 DAESHUDZWDIQRL-LPHOPBHVSA-N 418.538 0.217 30 20 HCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1833867120 NNVJJXFPRXQJDV-FQEVSTJZSA-N 417.466 0.193 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1834398060 MHGCKJHLNZQXTL-UHFFFAOYSA-N 400.439 0.274 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834597560 JUMDBLXPGMAHQX-GOSISDBHSA-N 412.389 0.921 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)nc4n[nH]cc34)C2)C1 1834758355 MOZYLMASHVGSOQ-GOSISDBHSA-N 418.841 0.595 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835123128 BQOSXLATQQMVFD-XGHQBKJUSA-N 405.495 0.490 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835260967 GNDINLFBTBSIJK-QFIPXVFZSA-N 415.490 0.718 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)CC1 1835340570 ALUZQZAHYPHSHJ-LJQANCHMSA-N 419.413 0.156 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CO)c(F)c4)C3)C2)CC1 1835349644 OQZPKVWJOBOSBD-OAQYLSRUSA-N 417.437 0.692 30 20 HCED Cn1nncc1C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836167291 WNIHXYBOOCKCIT-UHFFFAOYSA-N 410.482 0.514 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)c1 1836195350 LYDRKCQXOGDMAH-PKOBYXMFSA-N 410.540 0.602 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C)n3)CCO2)C1 1836306795 NMWOGLKHQSDYFC-PGRDOPGGSA-N 415.490 0.807 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2 1837277921 CGAOTDFJNGJOQE-NTLWEQJWSA-N 423.579 0.702 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489461 HMVBRQITCJXAAU-XMSQKQJNSA-N 421.538 0.139 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1837567252 ADQFOSJJWSJGCI-MZFFGNMWSA-N 417.462 0.047 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1837663098 NZGGTJHXOFOAJE-IIBYNOLFSA-N 424.542 0.028 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837811782 UEYOJIBGLWJUAU-KRWDZBQOSA-N 423.267 0.828 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838305311 HZDBQHJDHGRLOO-AUUYWEPGSA-N 424.885 0.182 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1838580418 AIXYDEGLNLYIKG-OAQYLSRUSA-N 412.446 0.941 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC=O)CC2)CC1 1838639473 GZMOIJSPJKFVII-HZPDHXFCSA-N 410.515 0.920 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(C(=O)OCC)c1)CCO2 1838723699 JOOZQEKJVCTQSZ-NRFANRHFSA-N 417.462 0.904 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839538222 ZRGOTWLJMAZQAV-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715140 JDCRLNRRZQEAAT-LAUBAEHRSA-N 420.510 0.221 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1839890058 FBFFPJSWWHWAKM-PBHICJAKSA-N 413.425 0.507 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1)C(F)(F)F 1839891982 KVQBMKNERJNBOG-KRWDZBQOSA-N 415.368 0.509 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(F)cc(F)c3)C2)C1 1840042090 ZOEQPTPGVDRVRQ-HXUWFJFHSA-N 422.384 0.052 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C2)C1 1840044224 RDVXEUDAJUQSFT-NJNPRVFISA-N 412.442 0.335 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4[nH]ccc4n3)C2)C1 1840161622 VZRBZYWZMPIRMN-BFUOFWGJSA-N 404.492 0.951 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4CCc5nc[nH]c5C4)CCO3)C2)CC1 1840362078 FPKAHWBMRXDGRW-VFNWGFHPSA-N 413.478 0.275 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840581753 QXVMTEXRDFECKM-UGKGYDQZSA-N 403.523 0.729 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840844000 YDIDXSZLGGUUDQ-HXUWFJFHSA-N 417.418 0.784 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CCNC3=N)C2)c(O)n1 1842908339 AHVGUUMCOFYFPY-UHFFFAOYSA-N 412.494 0.563 30 20 HCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1)NC(=O)OC(C)(C)C 1843350849 GFLYRCHXZRJHSN-CABCVRRESA-N 409.531 0.335 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1843983854 PBQABRSPIITOAA-QRWLVFNGSA-N 405.495 0.831 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845213611 DHZLLICRCSYATD-QVKFZJNVSA-N 423.510 0.668 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCCC#N)c2)C[C@@H](C)O1 15182148 VUAVNMAGWPLCIT-ZIAGYGMSSA-N 409.464 0.671 30 20 HCED C#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 139266847 UTZGUDAQKKOXGW-GOSISDBHSA-N 405.520 0.925 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 147979403 LHMFRTFSAHDAEA-MRXNPFEDSA-N 408.414 0.938 30 20 HCED COc1ccc(CN/C(N)=N/CCS(=O)(=O)N2CCSCC2)cc1OC 304747551 GMQNNSRQAUSWSF-UHFFFAOYSA-N 402.542 0.487 30 20 HCED C[C@H](NC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCOCC1)c1ccccc1 410127293 LEJXSAMKUZJAJY-FUHWJXTLSA-N 408.524 0.945 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCOC)C1=O 426318418 JVDZTWBEMKTNMA-UHFFFAOYSA-N 414.418 0.528 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)n1 439076019 FARVPDBJYYXXPP-QGZVFWFLSA-N 408.462 1.085 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 441044588 XIJLORJXUQEURR-ZIAGYGMSSA-N 400.435 0.384 30 20 HCED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1C#N 443080224 LRHXAVKZEJZPDW-UHFFFAOYSA-N 401.872 0.708 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 461756316 VUMPESCZDIAPHU-CQSZACIVSA-N 424.461 0.833 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)cc1 474220812 WFCDELHLQNMNPX-UHFFFAOYSA-N 401.448 0.641 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCn3cnnc3C2)cc1 477843779 LQYCDICVWJPKRA-UHFFFAOYSA-N 404.452 0.066 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486633837 WAWZNWCMNINWRF-IAGOWNOFSA-N 420.491 0.521 30 20 HCED CO[C@H]1C[C@@H](c2nc(C)no2)N(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 489828620 ICYNZQRYKOYPPW-HOCLYGCPSA-N 419.463 0.859 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)C1=O 498547575 SVEYFWZSYMASKC-OAHLLOKOSA-N 410.390 0.183 30 20 HCED CCn1c(N)c(C(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(O)nc1=O 502172290 LMEXVAIYPVMPJU-UHFFFAOYSA-N 424.461 0.956 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)cc1 507783376 MVTQACIRTDWMTB-MAUKXSAKSA-N 400.479 0.863 30 20 HCED N#Cc1ccc(N2CCC(C(=O)NCC(=O)NCCN3CCOCC3)CC2)c(F)c1 512700733 BCFCIIGQDVUXAI-UHFFFAOYSA-N 417.485 0.478 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccn4)c3)CC2)nc1 530779121 IPPFZTOAEMVHMY-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C1CCN(C)CC1 531655840 HLWQQCBSVYXBDC-UHFFFAOYSA-N 418.544 0.496 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 533770873 ZMWIKIUXZVHAGK-YOEHRIQHSA-N 424.523 0.519 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)c1C 535620268 FPSDOZDRXVZHFQ-GOSISDBHSA-N 409.494 0.661 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)n1 540275448 JGAJSWJGWBAKGE-UHFFFAOYSA-N 411.466 0.996 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 543637805 WXIVUEWLLQPYRC-UHFFFAOYSA-N 403.482 0.671 30 20 HCED COC(=O)c1cn(C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)nn1 546812077 UNOVTYSBGCDANR-SFHVURJKSA-N 417.514 0.394 30 20 HCED COCC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 554941302 QBKQEIDJTHXLFS-UHFFFAOYSA-N 407.492 0.834 30 20 HCED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 555274173 GHSXRYQBMCTKMT-UONOGXRCSA-N 417.557 0.226 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2c3c(cccc3C(=O)OC)NC(=O)[C@H]2C)C1=O 558292333 DXMFKEGHBPKICJ-SNVBAGLBSA-N 414.374 0.124 30 20 HCED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 561347363 JGQVFRJOXYIAJY-UHFFFAOYSA-N 413.522 0.966 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)C2=O)cc1 565098802 QTWBUBVXOKRNAF-LAUBAEHRSA-N 412.446 0.188 30 20 HCED CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566649484 JLNZXRZHSTXFCP-BPQIPLTHSA-N 406.508 0.547 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 573462149 NVVVNHOJCXSLOQ-HUUCEWRRSA-N 407.434 0.656 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 576963018 OUXZLGANRDEEPD-GJZGRUSLSA-N 402.455 0.386 30 20 HCED CN(CC(=O)N[C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 579538290 HBBIOCOJDUAVLW-GPMSIDNRSA-N 420.491 0.121 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CC1 588123672 FRWHUXORUGNMRY-UHFFFAOYSA-N 413.400 0.786 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)c2)nn1 589764529 XORGYBPLVSWDSK-UHFFFAOYSA-N 411.422 0.097 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 590423383 SNHLSMPVTDJRPO-LBPRGKRZSA-N 422.486 0.842 30 20 HCED COc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1[N+](=O)[O-] 604196065 GGAFTDOKGJLGPX-UHFFFAOYSA-N 424.417 0.949 30 20 HCED C[C@H]1COCCN1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609213305 BUDWLWRTEBKVHP-INIZCTEOSA-N 421.523 0.295 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 609628677 DACVKKSADWOLPN-MRXNPFEDSA-N 423.491 0.749 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnnc3C#N)cc2)C[C@H](C)O1 612402237 UPOPWXDYVKDJRR-STQMWFEESA-N 404.452 0.586 30 20 HCED CCCC(=O)NC1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 613096305 UXZAJDXPXYXVOI-UHFFFAOYSA-N 409.450 0.985 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@](F)(C#N)C2)CC1 615643109 CDYOUHWVBKTCTJ-SFHVURJKSA-N 405.455 0.329 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCN3CCNC3=O)CC2)cc1 728082255 VHCMKUJSPLNJOD-UHFFFAOYSA-N 406.464 0.527 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2C)CC1 728530878 XKWGAUNLKRSBEG-UHFFFAOYSA-N 400.870 0.736 30 20 HCED N#Cc1cnn(CCOC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1N 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CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 758118213 PSBHSFHRSFETGO-HNNXBMFYSA-N 415.519 0.242 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758642101 ODZOUVQDGSSFPD-IHRRRGAJSA-N 416.500 0.607 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)[C@H](C#N)C1 758760459 ORILZAJJRRUMNZ-VXGBXAGGSA-N 422.515 0.711 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)CC2(C#N)CC2)cc1 766064958 ZEDOJTJCPVZZFM-UHFFFAOYSA-N 400.478 0.498 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 766756817 LJGOOQQDQIDPAH-UHFFFAOYSA-N 418.516 0.731 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NC(C)(C)C 767634149 FEYULWMIHNRNEE-NEPJUHHUSA-N 424.479 0.781 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@@H]2CCCC[C@H]2O)CC1 768584892 WMEDNMHICQXHMS-IAGOWNOFSA-N 420.535 0.609 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780048372 PYOZEDMMHSLQGK-ZDUSSCGKSA-N 408.480 0.846 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 783541490 GHBGTWLMMOPQET-MRXNPFEDSA-N 400.522 0.947 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(C(=O)O)ccc3F)CC2)c1C#N 788293639 UXSPUPKFVHTREJ-UHFFFAOYSA-N 407.427 0.948 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 789110578 MUCYTOOUUHPMIK-IFXJQAMLSA-N 414.418 0.243 30 20 HCED CCN(C(=O)COC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 795821724 BFKDCOKVTWEGDP-IRXDYDNUSA-N 403.460 0.819 30 20 HCED CS(=O)(=O)N(c1ccc(OCCN=c2cc[nH]c(C#N)c2)cc1)S(C)(=O)=O 804590463 WHXFXZFYQXMPGT-UHFFFAOYSA-N 410.477 0.592 30 20 HCED CN(C[C@H]1CCCN1C(=O)C(=O)NC1CCN(CC#N)CC1)C(=O)OC(C)(C)C 805060442 CEYZDZGLFNRESG-MRXNPFEDSA-N 407.515 0.948 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 805785688 IVOSPSNMVUWAOV-IBGZPJMESA-N 412.490 0.334 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cncn2C)cc1 810432781 KVEMIEPDFXTNHI-CJLVFECKSA-N 418.479 0.488 30 20 HCED 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CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 446851240 BQJTYISFLNEBER-UHFFFAOYSA-N 424.479 0.417 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(CC(F)(F)F)CC2)cn1 460607929 RIKMNZXBCSNNAT-UHFFFAOYSA-N 407.356 0.784 30 20 HCED CO[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOC1 460996134 JHBWGMWWKLTVHQ-GOSISDBHSA-N 408.480 0.380 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)c2n(C)c1=O 465164942 LBFJUNZEZGYWSJ-UHFFFAOYSA-N 424.436 0.398 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 469080585 XWCARJBHAWKVDM-UHFFFAOYSA-N 407.452 0.525 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)CC2)c1C#N 471670361 GAJHQANVWCIWHP-UHFFFAOYSA-N 410.434 0.408 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCO)c2)c1 475644081 YRCVGLSWZNSDID-UHFFFAOYSA-N 401.423 0.524 30 20 HCED COCCCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 478017504 OKZQTANQKLDAJG-INIZCTEOSA-N 400.522 0.858 30 20 HCED C=CCOC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 481793783 HSQCYAXZUPAHMF-AWEZNQCLSA-N 404.872 0.821 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)CCS(C)(=O)=O 482411709 IOXFEVZUYSSGFT-GFCCVEGCSA-N 401.510 0.555 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487097755 PUAUWXOEDZDNAG-KRWDZBQOSA-N 421.523 0.630 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(c3ccc(C#N)cn3)CC2)cc1 497493760 DTYIEICJZSWUKK-UHFFFAOYSA-N 424.490 0.655 30 20 HCED COCCn1nnc2c1CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 499078644 GTJBWMYJWMRDQK-ZDUSSCGKSA-N 418.479 0.048 30 20 HCED COCCN(CCOC)S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 503741342 XINYNZDUBVPRMJ-QGZVFWFLSA-N 410.496 0.483 30 20 HCED Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C(N)=O 503760975 FGSNMICOBXWGFS-HNNXBMFYSA-N 401.448 0.470 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 504738744 BWQUCRGCPZFUHP-MRXNPFEDSA-N 420.491 0.458 30 20 HCED CN(CC(=O)NCCN1C(=O)Cc2ccccc21)S(=O)(=O)c1ccc(C#N)cc1 506373853 XFKLLDOTRVRKKF-UHFFFAOYSA-N 412.471 0.884 30 20 HCED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 507764879 ZCZFVUCDVSNIGI-RHSMWYFYSA-N 409.450 0.399 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 508672729 VVWILNNMNCFQHW-DLBZAZTESA-N 419.507 0.777 30 20 HCED N#Cc1cc(N(C#N)CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1F 509062752 BNVOCVHZZXHCSO-MRXNPFEDSA-N 405.455 0.316 30 20 HCED C=CCN(Cc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 511097450 VHFKAMRIZRKGFR-QGZVFWFLSA-N 414.549 0.883 30 20 HCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 515946552 GXLUZGKCMPZJJA-UHFFFAOYSA-N 420.473 0.871 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CC(=O)N(C)C3)nnc12 518204537 GOJMASZJLXRTCJ-LBPRGKRZSA-N 412.475 0.669 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 518336461 WASJVBRUQHNUDZ-JKSUJKDBSA-N 408.499 0.901 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 520265575 JALJAEQNAFQGPF-PKOBYXMFSA-N 402.495 0.163 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 521418129 YRQHVNSXGRAUQW-UHFFFAOYSA-N 411.441 0.518 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)cc1S(N)(=O)=O 536715534 LYZCICFNWTYFLG-UHFFFAOYSA-N 420.422 0.651 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 537501478 YZVVXEPXLIISJJ-UHFFFAOYSA-N 401.435 0.784 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C2CC2)CC1 541401964 RVVIHASFVQTCFC-UHFFFAOYSA-N 400.435 0.603 30 20 HCED CCN1CCN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542302224 GRDINZHLAOPNGH-UHFFFAOYSA-N 403.483 0.276 30 20 HCED C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 542995348 GRWSEUMWACTWSJ-PVXIVEMSSA-N 410.409 0.947 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 545294944 QLFXKWJPBQHAPO-UHFFFAOYSA-N 401.467 0.518 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 551279059 DCCCZXZAJIUHHW-GOSISDBHSA-N 413.522 0.076 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 552865783 DGJVFLDDVMYSBP-UHFFFAOYSA-N 419.485 0.982 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 554435135 JLNTVKVPUZIUMU-IAGOWNOFSA-N 411.462 0.295 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2)c(F)c1 560987682 ISGXPFXBSADDOK-IAGOWNOFSA-N 420.510 0.855 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCC(C#N)(c4ccccn4)CC3)cnc2n(C)c1=O 569002347 BJFBWHGPVPGROH-UHFFFAOYSA-N 404.430 0.725 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc4c3OCC(=O)N4)C2)nc1 569751901 UHZLSROYWPKMOG-ZDUSSCGKSA-N 407.386 0.903 30 20 HCED COC(=O)CN(CCN1CCOCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 570154431 AEJFSPUWSUGQBV-IBGZPJMESA-N 400.479 0.861 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1 572269074 AVJZZVVOYBBDTE-CYBMUJFWSA-N 401.510 0.292 30 20 HCED COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 584801571 HVQOCJXCZSJJNM-SFHVURJKSA-N 415.494 0.206 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCn3ccccc3=O)CC2)cc1 603733721 GIDJZXCAPYTVLU-UHFFFAOYSA-N 400.460 0.643 30 20 HCED C[C@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1cccc(C#N)c1 610364289 PIIMFASGUMTQFU-NSHDSACASA-N 400.416 0.991 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1=O 610636023 WLRXQKLQIHZEDC-VBKZILBWSA-N 407.434 0.776 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 642188730 CRQFBRFPWPYIPS-FGTMMUONSA-N 416.588 0.771 30 20 HCED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)c(F)c1 728293741 YZHHORWZPIYJFK-UHFFFAOYSA-N 413.456 0.854 30 20 HCED N#CCNC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 731241388 WLNKKXKFIOKAJD-AWEZNQCLSA-N 410.408 0.321 30 20 HCED CCNS(=O)(=O)CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 731685419 DZRPUDVRACDSFR-UHFFFAOYSA-N 407.496 0.858 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)CC1 732285934 KYDNKELHAJYKHM-UHFFFAOYSA-N 411.506 0.038 30 20 HCED CCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CC)c2)c1=O 732561215 JCGNXFALNDRLAN-UHFFFAOYSA-N 411.487 0.949 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)nc2)c(N)n(Cc2ccccc2)c1=O 734599129 GCDZTTKROBYFCY-UHFFFAOYSA-N 419.397 0.484 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 743887503 CXKHMICYRYULPH-INIZCTEOSA-N 403.410 0.626 30 20 HCED Cn1c(=O)c2ccc(C(=O)OCc3nnc(-c4ccc(C#N)cc4)o3)nc2n(C)c1=O 744680323 QVAKXFRGAHIVEV-UHFFFAOYSA-N 418.369 0.911 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 745478885 OQZLCXVKTDMROL-RKYPPNDESA-N 409.398 0.369 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OCC)cc2)CC1 749666903 NBQGWELEVSGOGB-UHFFFAOYSA-N 417.466 0.640 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNc1ccc(S(N)(=O)=O)cc1C#N 750170870 BQDOSYDEMQUNHT-UHFFFAOYSA-N 424.504 0.431 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)[C@@H](C#N)C1 754378500 GVJYRTQAKRYQRZ-HJORKGSMSA-N 418.450 0.120 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)[C@H](C#N)C1 755537801 NGMQEHVUXKNDMJ-TZMCWYRMSA-N 401.423 0.599 30 20 HCED COc1cc(C(=O)OCCn2ncc(C#N)c2N)cc(NS(C)(=O)=O)c1OC 759326353 USGXYTXOAGUVSG-UHFFFAOYSA-N 409.424 0.583 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761147869 BNQRJHYNMPOFKH-CYBMUJFWSA-N 406.414 0.762 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CCC1 771080630 MHRVFNHGULXCTC-LLVKDONJSA-N 410.408 0.932 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)c1cc[nH]n1 772390165 XZHBRXYZCHYSMO-HOCLYGCPSA-N 407.471 0.453 30 20 HCED Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 772778148 QAYZEXDBHUMRDL-AWEZNQCLSA-N 415.475 0.723 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(CCN2CCNC(=O)C2)C1=O 781104151 MQJMMFJMUNADHT-MRXNPFEDSA-N 417.535 0.803 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Br)cs1 782252207 JDPDJECMAAQWIN-UHFFFAOYSA-N 421.298 0.611 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 783480005 NZGFAGFAOICMJC-FUHWJXTLSA-N 420.487 0.832 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 784823050 QACBMFRZZCDTDI-IRXDYDNUSA-N 415.494 0.439 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@H](CO)C1 787471559 RCZBPJDSLWRFJS-DZKIICNBSA-N 409.508 0.892 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)c1C#N 788475995 LEFHKSNYKINQKC-GOSISDBHSA-N 420.477 0.369 30 20 HCED N#CCn1c(CN2CCC[C@@H](N3CCCS3(=O)=O)C2)nc2ccccc2c1=O 789372941 CRWTUGJJFOGTMT-OAHLLOKOSA-N 401.492 0.920 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 790297093 OVEOHZGKAJRBDT-SJORKVTESA-N 422.526 0.342 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cccc(OC)n2)c1=O 790428328 UURHARLIMMQOFD-UHFFFAOYSA-N 420.450 0.359 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccn(C)c2)c1=O 794581760 QALUXGNHIQOFSC-OAHLLOKOSA-N 401.488 0.393 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NCC(C)(C)N2CCOCC2)[C@@H](C#N)C1 796492642 OFOJTTCGFNSJLA-INIZCTEOSA-N 409.531 0.658 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)C1=O 798546206 QLDIHSCLHYHLRR-OAHLLOKOSA-N 421.475 0.336 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)NS(=O)(=O)c2ccc(CNC(N)=O)cc2)c1 815922696 YBYSUCKZYVNWOE-UHFFFAOYSA-N 401.448 0.911 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCCOC)CC2)cc1 918381681 RPIZVBLBSKJSTN-UHFFFAOYSA-N 421.519 0.603 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1nc(CCC(N)=O)n(C)c1=S 1116246914 JMFHQZCBOHXVEK-GFCCVEGCSA-N 401.500 0.199 30 20 HCED CC(=O)NC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CCO1 1209911154 LINQCLAGEGLSHK-NSHDSACASA-N 420.260 0.985 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1)C1CCCC1 1211881388 QDYVVKRSQKUYDF-KRWDZBQOSA-N 414.553 0.986 30 20 HCED CCOC(=O)c1c(NC(=O)NC2CCN(CC(=O)NC)CC2)c(C#N)cn1CC 1219175072 YDDFLXBJLSHRFZ-UHFFFAOYSA-N 404.471 0.888 30 20 HCED CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1360684795 QWIXJZDUDXTXOH-BBRMVZONSA-N 401.512 0.670 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)cc1 1473774927 MMEOGEGYLQMEQA-UHFFFAOYSA-N 413.503 0.795 30 20 HCED C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1612978364 PYJJRIMSBLBKFP-CQSZACIVSA-N 420.495 0.503 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1621928647 ODZABDSVCDABLT-UHFFFAOYSA-N 416.525 0.454 30 20 HCED N#CC1(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCOCC1 1676738021 MCRKWZWTQOTEAC-HNNXBMFYSA-N 402.451 0.931 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690342274 HKFNWYDEFVLKRF-ZDUSSCGKSA-N 416.935 0.747 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695872703 KGSZRUHBOATITM-QINHECLXSA-N 418.521 0.697 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1COCCO1 1706622943 ZVYOKGXLWWWLCB-HZPDHXFCSA-N 403.487 0.008 30 20 HCED CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1748051000 IREHHMDFAIHEIU-DYESRHJHSA-N 409.494 0.585 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 1778612798 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O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1780878072 CHIGQPKDDRKNFC-HXUWFJFHSA-N 417.393 0.072 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCC(N)=O)C1 1781771011 MGAFOXAFHPALSD-FOIQADDNSA-N 409.483 0.275 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C2)C1 1782673247 QNSYGZJZHVRXBZ-JTSKRJEESA-N 412.490 0.833 30 20 HCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnn1 1782762297 LPAXBYHHXOVZIB-UHGMPXKVSA-N 403.487 0.141 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783108276 DDOLEISLJSQTQY-UTKZUKDTSA-N 406.527 0.193 30 20 HCED C=C(C(=O)N1CC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1)C(F)(F)F 1783211703 ZSLQHTCFOHPDAD-MRXNPFEDSA-N 416.356 0.509 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC3)C[C@@H]21 1783528364 QWOCYPGRHWMOGM-IPUDEONCSA-N 401.507 0.871 30 20 HCED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1783580204 IIPFMUYEQUSUSX-VUPSAYJESA-N 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C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 56089754 QKHNACNIXXXASC-OAHLLOKOSA-N 415.537 0.695 30 20 HCED NC(=O)[C@@H]1CCCN(Cc2cccc(C/N=C(/N)NCCCN3CCOCC3)c2)C1 304749100 HMSFFKZNMYQUIB-HXUWFJFHSA-N 416.570 0.511 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)CCO1 410119248 XNECXOUMBZRRGH-OLZOCXBDSA-N 402.423 0.925 30 20 HCED C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1(=O)=O 429532930 FISZRKOJUBTEBX-JKSUJKDBSA-N 410.565 0.966 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 439402431 GYFKPUDLZZJMBJ-UHFFFAOYSA-N 423.495 0.460 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)C[C@H](C)O1 442853153 ITHZHLLYFBAJRW-KBPBESRZSA-N 408.480 0.376 30 20 HCED COc1ccc([C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N(C)C)cc1OC 444592914 JLAGHPYWGUJONJ-HNNXBMFYSA-N 414.466 1.172 30 20 HCED CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460688288 JUJXONSLIFSWFP-INIZCTEOSA-N 412.450 1.040 30 20 HCED C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468031364 VOIRVCSPIWIZMB-SBUWESJJSA-N 422.485 0.753 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@]2(O)CCO[C@@H]2C)C1=O 468728124 JTZGOAIUCTULOM-QVKFZJNVSA-N 415.446 0.532 30 20 HCED COC[C@H](CCO)NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471049569 ZXVUXHACDAZPES-INIZCTEOSA-N 402.451 0.722 30 20 HCED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@@H]1CCCN(CC#N)C1 473700955 YWTMBQZPZJXYGO-SUMWQHHRSA-N 400.401 0.970 30 20 HCED COc1nn(C)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 474985775 LIWJNXSCNCCXSD-UHFFFAOYSA-N 404.452 0.839 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 478025094 MSNLFYMHSVKZDW-UHFFFAOYSA-N 408.524 0.986 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 481037402 PGEWKFZDYGLTIU-AGIUHOORSA-N 424.479 0.950 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488659848 KXRIELYJLYXZEO-KRWDZBQOSA-N 424.461 0.647 30 20 HCED COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1 490422382 OMSPVGQAYHZSDR-ZDUSSCGKSA-N 408.480 0.700 30 20 HCED C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O 494164344 QCVRMRXVJHWCLX-DAXOMENPSA-N 407.434 0.262 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)[C@@H](NC(=O)C3CC3)[C@H](C)O)c(C#N)c2N)cc1 499697538 VKWFXXGCGIBDHU-LIRRHRJNSA-N 424.505 0.959 30 20 HCED C=CCc1ccc(OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(OC)c1 503116388 BMHKPWZVZGWXDU-IAGOWNOFSA-N 424.519 0.417 30 20 HCED C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508894150 KCCWMMOPBSZMGK-OAHLLOKOSA-N 419.445 0.933 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)c1 511060319 FBZHRCBOHDXUAO-UHFFFAOYSA-N 413.499 0.597 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 513569331 XYHMVQKKVZYMMF-CQSZACIVSA-N 405.451 0.549 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCN(C)CC3)c2=O)o1 516371786 YHLUKULDDRDKII-UHFFFAOYSA-N 412.515 0.860 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 517554729 CXYHAHCGYJKGQS-UHFFFAOYSA-N 403.464 0.716 30 20 HCED C=CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 533066012 VHNGKHYOVOTPGA-AWEZNQCLSA-N 409.464 0.781 30 20 HCED COC(=O)[C@@H](O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540550527 UYBPNKKHMFYMMO-LPHOPBHVSA-N 420.535 0.703 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCN3CCCCC3)CC2)c1C#N 550135915 VEYGZNPSDHQPMM-UHFFFAOYSA-N 401.515 0.241 30 20 HCED C[C@@H]1NC(=O)CC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 554150843 NUPKVUOKLWQXOU-NOLJZWGESA-N 401.442 0.566 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)c(F)c1 561883610 PKMFZQQJYJISKE-OAHLLOKOSA-N 413.453 0.473 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccn(CCc3ccncc3)n2)c1 569294418 ULHCRMQZBBCYOJ-UHFFFAOYSA-N 410.459 1.309 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)ccc1C#N 574443675 NMIOCLHLAQMUQW-UHFFFAOYSA-N 421.413 0.874 30 20 HCED N#Cc1ccc(NCC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)nc1 580049423 USRRMIBXWRDHGQ-UHFFFAOYSA-N 411.846 1.252 30 20 HCED CO[C@@H]1COC[C@H]1n1cc(CNC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)nn1 589335186 SSBOMACTNLIBLY-HZPDHXFCSA-N 423.437 0.947 30 20 HCED CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc(C#N)n2)CCN1C(=O)c1cccc(C#N)n1 589840677 RHLVRWJIWNESRC-SFHVURJKSA-N 417.429 0.275 30 20 HCED Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)c1C#N 591359409 QKSQVZAKQKMCQU-OAHLLOKOSA-N 401.448 0.908 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCO[C@@H](C#N)C2)CC1 609268930 JQZIEDOUIWTLOP-HNNXBMFYSA-N 421.475 0.625 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)cn2)c1 609405516 SGTUPNBFHBGMNM-UHFFFAOYSA-N 422.401 0.742 30 20 HCED CN1CCC[C@@H](N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1 609664869 LLPZSEVJRMIDTB-LJQANCHMSA-N 404.536 0.711 30 20 HCED N#Cc1cc(NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1F 609826861 HCCMJVUKUJOKAL-UHFFFAOYSA-N 411.459 0.860 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(COC)c2)c1=O 610358265 YCZLLAWDBYXPQY-UHFFFAOYSA-N 401.488 0.342 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(CCCOCC)C[C@@H]2C)C1=O 672648271 SZBMKURTBKAZPX-BZSNNMDCSA-N 408.543 0.485 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1=O 726043818 RZAFKAOUHRPYSB-JTQLQIEISA-N 403.347 0.262 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 727109559 IEJSJNAPUAZOJO-ZDUSSCGKSA-N 402.480 0.536 30 20 HCED CCS(=O)(=O)CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 727741932 KYEQFMXWJUQJML-CQSZACIVSA-N 415.537 0.691 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H](C)CS(=O)(=O)CC)cc1 733184340 PPEWDHUMKNHGBH-AWEZNQCLSA-N 400.522 0.883 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2COc3cc(O)ccc32)CC1 734750834 GGNDIPHCNYRCBK-UHFFFAOYSA-N 403.464 0.932 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737307260 RCSJKZIXBNGDQR-ZCXUNETKSA-N 411.418 0.927 30 20 HCED C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NC(=O)NC1CCCCC1 741343509 UTFVBZXWECTJRW-XCHVRBFASA-N 406.439 0.993 30 20 HCED Cc1cccc(N2CCN(CCCNC(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746356538 SJTFMNMRVUDEQJ-UHFFFAOYSA-N 409.494 0.982 30 20 HCED CN1/C(=C/C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)C(C)(C)c2ccccc21 748694078 MQIPWQGPOVESSC-KFXAOSDLSA-N 411.462 0.894 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)o2)CC1 759027502 LQBQGQYOBYBWNR-UHFFFAOYSA-N 404.286 0.488 30 20 HCED N#CCOc1cccc(CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1 760543359 UOHPOTRQDJPJCF-UHFFFAOYSA-N 400.464 0.766 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 761036302 CWTYNOPPULHKRG-LJQANCHMSA-N 403.504 0.665 30 20 HCED CN1C(=O)CN(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 765155730 RMDVBYGQBNARTN-UYRXBGFRSA-N 408.440 0.430 30 20 HCED N#CC1(CS(=O)(=O)Oc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)CC1 766020769 HCCJHZWFNBEHMW-UHFFFAOYSA-N 413.477 0.582 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCN(CC(F)(F)F)CC1)c1cc[nH]n1 772152315 RWVYKFSMKCKKTC-UHFFFAOYSA-N 405.377 0.790 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(OCC)cc3)c2=O)cn1 772274197 CCLIHNWAAGKGJR-UHFFFAOYSA-N 421.482 0.844 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CC(N)=O)c2=O)cn1 772310589 BCMIKGOQBSLPSF-UHFFFAOYSA-N 423.429 0.217 30 20 HCED N#Cc1c(F)cccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 778373829 NSGLZKRWYBWLCS-UHFFFAOYSA-N 405.407 0.860 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c[nH]nc3-c3cnn(C)c3)CC2)o1 781405642 OJOPIGMAQWLGCA-UHFFFAOYSA-N 424.421 0.484 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CCOc3ccc(S(N)(=O)=O)cc3)nc12 783372143 ATBHLMMTDCXRLK-UHFFFAOYSA-N 417.403 0.466 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1CN(CCC)C2)[C@H]1CCS(=O)(=O)C1 783474276 GUUHOLUVWQRYKH-INIZCTEOSA-N 403.504 1.000 30 20 HCED N#CC1(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CCC1 784216930 RCJJQXWQVOPCLF-UHFFFAOYSA-N 412.493 0.471 30 20 HCED C[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)NC1(C#N)CCC1 787550889 DLBVTYVDTXCDKI-ABAIWWIYSA-N 401.398 0.740 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)NC1(C#N)CCCCC1 789109744 CVQIUCBPLMTOHN-SFHVURJKSA-N 420.466 0.488 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789959036 MCKIGVKPYJHXTN-HXUWFJFHSA-N 412.446 0.338 30 20 HCED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)[C@@H](C)n1cnc(C#N)n1)n2C 798742092 HBEFZPFDWZHNNW-SNVBAGLBSA-N 400.399 0.403 30 20 HCED C#CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 799086178 NABYCFHPWAIAML-BAPRJRNISA-N 423.516 0.365 30 20 HCED C=CCN1CC[C@@H](N(C)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)C1=O 799144028 TURYYPIZQAFJMF-OAHLLOKOSA-N 408.480 0.521 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H](C)C(=O)NCCF)C1=O 799862129 OUGOTDFREQKRNK-RDHPIONJSA-N 409.487 0.534 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 800911276 VQSGAEVDNVOJHG-HNNXBMFYSA-N 403.549 0.950 30 20 HCED COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 802163419 OYIDHLRIXWVTIM-ZWNOBZJWSA-N 421.479 0.794 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 802628212 MIUNUZMLZBGGNO-UHFFFAOYSA-N 423.466 0.803 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc[nH]n1 804385781 RLMRTXVKVKSFHG-CQSZACIVSA-N 420.470 0.490 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CCN(c3ccccc3)CC2)n1 812559206 UDMVZYYFLHDPDL-UHFFFAOYSA-N 409.490 0.840 30 20 HCED COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)CC2 813980084 PQYANDUGMALLRE-UHFFFAOYSA-N 416.459 0.834 30 20 HCED CC(C)(NC(=O)C(F)(F)F)C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816130359 JQILGDBDSVAYMI-UHFFFAOYSA-N 408.314 0.728 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 831700445 GUZIWVFUYCWGBX-GOSISDBHSA-N 424.479 0.521 30 20 HCED C=CCN(C(=O)CCc1c(C)nc(N2CCOCC2)nc1O)[C@@H]1CCS(=O)(=O)C1 1115890479 KGKMZMIUXIFWJL-OAHLLOKOSA-N 424.523 0.462 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@](C(N)=O)(c4ccccc4)C3)CC2)o1 1195165403 JUQCUJPLKHBXJC-QFIPXVFZSA-N 422.489 0.632 30 20 HCED COc1cc(OC)c(C[C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)c(OC)c1 1298069143 JOJSLGOYKNIRDO-NSHDSACASA-N 402.407 0.594 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1310111648 QJFLXKRYMNIUFV-UHFFFAOYSA-N 416.434 0.829 30 20 HCED Cc1ccc(C(=O)N2CCC(CS(C)(=O)=O)CC2)cc1S(=O)(=O)NCC#N 1324303051 PDDQEZHNWXYQDR-UHFFFAOYSA-N 413.521 0.694 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1339649455 AQWLBMMXUBDHMH-LLVKDONJSA-N 415.493 0.129 30 20 HCED Cc1nn(CC(F)(F)F)c(C)c1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1342585678 YSAQDQGOOAQIAD-ZDUSSCGKSA-N 420.413 0.571 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)n1 1612479572 XKCODCLTXSDOLY-OAHLLOKOSA-N 414.514 0.985 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(F)c1 1657205662 XSWGNBYJJOUCIQ-UHFFFAOYSA-N 403.443 0.853 30 20 HCED CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729225567 QLEVWORFCVOGTO-INIZCTEOSA-N 407.544 0.661 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)CCO1 1731189999 OGUGYTRZBVSCQK-JKSUJKDBSA-N 409.450 0.987 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760699105 WSKZRKLGQHELBF-HUUCEWRRSA-N 423.543 0.278 30 20 HCED CCCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1764486649 ZIQYEALKUJDQRV-IKGGRYGDSA-N 422.555 0.783 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1766687669 WLIVVJOSNIIXJL-UHFFFAOYSA-N 416.507 0.953 30 20 HCED COC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1769231313 NBOMGNGTMAEMMV-CVEARBPZSA-N 405.503 0.254 30 20 HCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)ccc21 1777865194 WQKFFEDRXMJDPV-HSZRJFAPSA-N 422.485 0.734 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](NC(C)=O)C(C)(C)C)CCO2)C1 1778967860 JKACBZGNOGQWQH-HOIFWPIMSA-N 423.554 0.940 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccn1 1779020558 PYIXSGUZVPBPKT-YKBPCDFTSA-N 402.499 0.746 30 20 HCED COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105332 UABWYNQLFCRAPC-FRJAKYGPSA-N 413.471 0.008 30 20 HCED 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N#CCCC(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835659024 CJZOGRBYPZXEDA-WAYWQWQTSA-N 401.511 0.697 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836312100 CZDISLJOWFFXHW-QRWLVFNGSA-N 407.442 0.882 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3(F)CC3)CC2)CC1 1836517568 KQLBEUKSCPPPCU-ARJAWSKDSA-N 406.502 0.919 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1836864964 SHHSUIWDYOBKPS-MRXNPFEDSA-N 421.542 0.416 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1837305873 LHTMQBPDLUFDOL-AVRDEDQJSA-N 419.522 0.834 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1837400985 RXJHTMDCHIVOIP-NPPFBWRTSA-N 423.554 0.358 30 20 HCED COCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837527607 QUAIDHRZUDRIOS-RQGFIMDQSA-N 413.471 0.008 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837588552 QDXULQRYMNXJRX-LAUBAEHRSA-N 420.510 0.290 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)C=C)CCO2 1837703056 UEAXJJGYEFMVHJ-LAUBAEHRSA-N 405.495 0.327 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839223444 VPZOIUSHNQZVEW-UWVAXJGDSA-N 410.515 0.338 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840163580 KOAQWEAXZFTUMX-AUUYWEPGSA-N 404.492 0.723 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840292108 XGOHUSBCYSRWAF-DYESRHJHSA-N 407.511 0.551 30 20 HCED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1)c1ccccc1 1841960448 ZRMYKTFLGAQDIN-QZTJIDSGSA-N 422.485 0.985 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1SC(=N)NC1=O 1843406934 VFQWLDDDAGPGDA-HYUFQJMUSA-N 420.539 0.464 30 20 HCED CN1CCN(CC(=O)N2CCCC23CN(C(=O)Cc2ccc(F)c(C#N)c2)C3)CC1 1843915187 QGRNPNCYASWMMG-UHFFFAOYSA-N 413.497 0.691 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673237 SJCMUMFXUVZKSD-UHFFFAOYSA-N 423.477 0.188 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)C1=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 1845960642 YSFQXEFWUVAGKA-NRFANRHFSA-N 416.478 0.979 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[C@@H](C(=O)OC)C1 1847258932 JXYZQTGMARFCJZ-HTCRWKDNSA-N 403.479 0.636 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c1 13258510 BMHZWZGYWLKQMY-UHFFFAOYSA-N 415.427 0.665 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1 56139952 JXJLTRNXCAAVCN-CYBMUJFWSA-N 401.510 0.615 30 20 HCED COc1ccc(NC(=O)CN2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 60893717 BSEXYBIRGAGXAU-UHFFFAOYSA-N 422.507 0.890 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 149387973 RAVXZTKRCTYBNB-OAHLLOKOSA-N 408.480 0.081 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 303902331 TVUPOQJVZUSHEN-UHFFFAOYSA-N 418.498 0.269 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)Nc3ccccc3-n3cnc(C#N)n3)[nH]c21 426829294 YRIJEDIKEKYZKR-UHFFFAOYSA-N 405.378 0.386 30 20 HCED Cn1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2=O)cn1 426841405 VHZDSOBXYSTZEO-UHFFFAOYSA-N 416.463 0.101 30 20 HCED N#C[C@H]1CN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 434469471 BSUQZOVYYPDDCL-AEFFLSMTSA-N 404.442 0.777 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)C1=O 440251876 CPVJVQDERNJXIL-HNNXBMFYSA-N 408.480 0.266 30 20 HCED CCO[C@@H]1C[C@@](CO)(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1(C)C 444805474 VJFKIDMKKXFOAS-UZLBHIALSA-N 405.499 0.659 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446526845 BEKPGIPKHRPXKI-UHFFFAOYSA-N 401.467 0.401 30 20 HCED CNC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446528963 HYFGAUULRBOFGG-UHFFFAOYSA-N 401.467 0.368 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cn2c(n1)SCC2 466342620 DZBRPPLWSDLDQL-GFCCVEGCSA-N 405.505 0.886 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 475563881 WSUGLNYOWKKOGR-ZDUSSCGKSA-N 403.913 0.705 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 481018956 SJQICVKLPVXDOT-OLZOCXBDSA-N 414.509 0.775 30 20 HCED C[C@]1(C2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)NC(=O)NC1=O 481143462 RYLLANIUOTULRX-GOSISDBHSA-N 403.826 0.987 30 20 HCED C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CN1CCN(C)CC1 482172585 DBVMMKFFYLVOLO-JKSUJKDBSA-N 407.540 0.225 30 20 HCED C=CCN(C(=O)NCC1CN(S(C)(=O)=O)C1)[C@H](C)c1cccc(-n2cnnn2)c1 489492160 YTMRBLAMADRECK-CQSZACIVSA-N 419.511 0.812 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 503657315 DHZLURMCDRNXEW-UHFFFAOYSA-N 416.507 0.305 30 20 HCED Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508372156 SRPVOAUEFKUKJO-UHFFFAOYSA-N 400.349 0.583 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)nn1CCC#N 508409944 FAIVGSBSQLEBPO-AWEZNQCLSA-N 402.842 0.910 30 20 HCED COc1cc(CNCCn2cnc(C#N)n2)ccc1OCC(=O)N1CCOCC1 512895667 QIZLEEZFSBBPEA-UHFFFAOYSA-N 400.439 0.186 30 20 HCED Cn1cc(S(=O)(=O)NCCN2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 513978233 HWLJMRPESITMNW-FZKQIMNGSA-N 400.464 0.044 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 515930170 AYLFMOCTOLTDPA-UHFFFAOYSA-N 401.448 0.587 30 20 HCED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 518517331 QYQCVPMEXNFPHG-OAHLLOKOSA-N 420.491 0.859 30 20 HCED N#Cc1cncc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 521319450 VEUQGMLMDCGAIY-UHFFFAOYSA-N 414.509 0.205 30 20 HCED CSc1nn(C)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1C(N)=O 524833261 GDMIVIMDPUYUSH-UHFFFAOYSA-N 422.492 0.372 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 527073545 HEHQHSVBQXYQJH-UHFFFAOYSA-N 422.869 0.217 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[S@]1=O 533288678 VOCLHUDNCMYTSN-IZPCHGGPSA-N 417.491 0.908 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCC(=O)N1CCOCC1 539586682 LETMLMPXNCGXIF-UHFFFAOYSA-N 409.402 0.659 30 20 HCED C[C@H](Nc1cnn(CC(=O)NCCO)c1)C(=O)N(CCC#N)c1ccc(F)cc1 546539032 KZVIQYGYBYYZAV-AWEZNQCLSA-N 402.430 0.878 30 20 HCED CN1CCC(C#N)(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 549606078 PYZANRCNUPEYKE-UHFFFAOYSA-N 408.480 0.230 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C)C1 553779681 GSZYNZACLUODIU-CQSZACIVSA-N 413.521 0.355 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 554262183 AKOUVOIMKOCDMV-UHFFFAOYSA-N 410.459 0.452 30 20 HCED O=C(NCC#Cc1cccc(F)c1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 555289358 SCHDBAORFRJLRL-UHFFFAOYSA-N 408.389 0.984 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 556571634 PZIYVHZOKYFJSD-OAHLLOKOSA-N 423.491 0.805 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1ccc(F)cc1C#N 557366791 UULGZFMZPJXJKW-UHFFFAOYSA-N 420.422 0.821 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 559560073 BTFIWLYTSHASRI-MJGOQNOKSA-N 401.511 0.547 30 20 HCED COCC1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCOCC1 559937852 PIYDIUGDVVXZLL-UHFFFAOYSA-N 415.425 1.381 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 578285300 KGAKBXJTKBYBSE-OAHLLOKOSA-N 415.450 0.538 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(C#N)o3)c2)CC1 580120294 YJVDYFDOEJYJBD-UHFFFAOYSA-N 410.477 0.888 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 588292279 WGLRURYAYWXGBB-PKSQDBQZSA-N 400.482 0.574 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1C 615255973 CLBXPUYONVIOKY-UHFFFAOYSA-N 408.480 0.763 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC2CCCC2)cc1 622243206 BVAACQIVCOPJQR-UHFFFAOYSA-N 422.507 0.607 30 20 HCED CCOCCCN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)C1 734669637 YVAIGQMGHSYRHX-MKRGEVTBSA-N 407.515 0.949 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2SC(=N)NC2=O)c1 742552176 OLBZFNMHSAPHQW-UNDKWDADSA-N 409.493 0.994 30 20 HCED CS(=O)(=O)N1CCC(=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 747632495 DUQXCGXIMRSISX-UHFFFAOYSA-N 401.514 0.689 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 749665944 YFVRZFLCJPNIPB-OAHLLOKOSA-N 400.435 0.625 30 20 HCED COCCn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 755545541 IKRYKDUOQXUIKC-STQMWFEESA-N 406.443 0.343 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)COCC(=O)NCc2cccnc2)C1 756885133 KLHWAUMKEDZAIB-HOTGVXAUSA-N 417.466 0.590 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 756894184 IRACZSOEXVPPTJ-GJZGRUSLSA-N 408.480 0.964 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758069372 OVWMZIFNWVATMQ-UHFFFAOYSA-N 412.471 0.077 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758757623 GPKSMTBXAXBNAM-STQMWFEESA-N 403.505 0.374 30 20 HCED COCCN(C(=O)CN1CCO[C@@H](c2cccc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 761757239 JFAIHEVCPCSYAC-RBUKOAKNSA-N 421.519 0.594 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 770681203 ZPKRNNXSOVSTLQ-MAUKXSAKSA-N 405.480 0.296 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1)[C@@H]1CCCO1 773794495 MSTDPPUMEPRMOG-JQFCIGGWSA-N 407.492 0.999 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1)[C@H]1CCCO1 773798528 UIQWWJFNENHCDW-HZPDHXFCSA-N 415.446 0.588 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(C)OCCO2)c1 774405422 XPFSSVACDHLNBD-RCCKNPSSSA-N 424.479 0.317 30 20 HCED CC(CCc1n[nH]c2ccccc12)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 782226985 DAXXVHNXLKPHKM-UHFFFAOYSA-N 404.452 0.247 30 20 HCED C#CCn1ccc(CN(CC)c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)n1 788565003 AQCPNMAHRDCVBH-UHFFFAOYSA-N 401.492 0.808 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCC(=O)c3cnn(C)c3)CC2)o1 796150424 JNHYQHCKPFZCEW-UHFFFAOYSA-N 414.422 0.443 30 20 HCED C[C@@H](C(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cnc(C#N)n1 798816617 NMLFIQKCMJHAOD-XJKSGUPXSA-N 422.405 0.677 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(Cl)cc2C#N)(C(N)=O)C1 805077823 KGQRZFFHZRPXJD-UHFFFAOYSA-N 414.871 0.965 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 810772133 UZMSDVHNPINEST-UHFFFAOYSA-N 420.896 0.444 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 812932839 HWYXSUBSMSNTTM-UHFFFAOYSA-N 413.499 0.655 30 20 HCED Cc1nn(C)c(N)c1C=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 814687182 BFFWWTLTQOFEEG-UHFFFAOYSA-N 423.455 0.686 30 20 HCED Cc1ncc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 815274835 ICTMWLYFAUUWIM-ZDUSSCGKSA-N 406.445 0.933 30 20 HCED CN(C)C(=O)[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCN1C(=O)[C@@H](F)C(F)(F)F 815786022 QXERNHUAMSPTPH-BIIVOSGPSA-N 413.265 0.915 30 20 HCED CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 815803655 AEOZOHSZTKLKBJ-HNNXBMFYSA-N 400.370 0.437 30 20 HCED Cn1cnn(CCC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1=O 816058591 VHQIDWPTKUHNQV-UHFFFAOYSA-N 403.342 0.367 30 20 HCED CCO[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 917305178 QBYZCAFNJQSMPN-JKSUJKDBSA-N 421.475 0.359 30 20 HCED N#Cc1cccnc1NCc1cccc(C(=O)NCC(=O)NCCN2CCOCC2)c1 1136627305 DCOVOXPXNNXACM-UHFFFAOYSA-N 422.489 0.744 30 20 HCED N#CCCN(Cc1cccnc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1251341642 FCDXJHZFAKLXCJ-HNNXBMFYSA-N 403.464 0.489 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 1256719781 LIEYWTLHAKRCCY-UHFFFAOYSA-N 419.503 0.150 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1261299030 AXRJLEANJFSIPU-LBPRGKRZSA-N 418.397 0.737 30 20 HCED COc1ccc(OC)c(CN(CCO)C(=O)CCn2cc(C#N)c(O)nc2=O)c1 1295832961 YFPWURIODFLRFQ-UHFFFAOYSA-N 402.407 0.249 30 20 HCED CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1302426295 XZILHDYLKHVLBL-LRDDRELGSA-N 410.475 0.638 30 20 HCED Cn1c(=O)[nH]c(N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)c(C#N)c1=O 1307215929 NSVQTXSJRFVNNP-UHFFFAOYSA-N 405.455 0.552 30 20 HCED CS(=O)(=O)CC1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1319063617 QLTKKINPXWJIQC-OAHLLOKOSA-N 418.475 0.704 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NC3CC3)cc2)CC1 1342625042 VZGFONAYVDCJOV-KRWDZBQOSA-N 418.475 0.140 30 20 HCED 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408.842 0.727 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C(F)(F)F)nn3C)C2)C1 1839808980 NDMQOQLKDUFBAQ-INIZCTEOSA-N 400.357 0.142 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1839887120 VPJKSLLDKNYHNX-QGZVFWFLSA-N 417.409 0.106 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840060053 WDPIZOZXAVGTLI-QRWLVFNGSA-N 405.451 0.448 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1840159870 PQWSVQBZLXSGOG-BFUOFWGJSA-N 404.492 0.903 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840207523 CPJPSMLMKGIRED-XKRVECJUSA-N 422.503 0.978 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1)C(F)(F)F 1840466796 YMLDEBRLOXDKNT-KRWDZBQOSA-N 416.400 0.538 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840481471 WFCIQDZYPCXFHP-KKSFZXQISA-N 419.478 0.255 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3OCC)C2)C1 1840839964 PKEOVXPIWWIKHK-OAQYLSRUSA-N 401.463 0.964 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H](C)n2cnnn2)C3)c(C#N)c1 1845139875 OLDMCEZTCCEEFW-AWEZNQCLSA-N 409.450 0.560 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCO)C1 1845213748 UMPILSTYHZKJPX-OAHLLOKOSA-N 409.483 0.115 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C1CC1 22105590 NOQPUIFKUGXSAU-SFTDATJTSA-N 410.430 0.732 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](c1cccs1)N1CCOCC1 409550816 GRLMARGEQWUDAV-OAHLLOKOSA-N 402.542 0.818 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 426808099 KRFTYDVYCNQSDJ-OAHLLOKOSA-N 409.450 0.258 30 20 HCED CN(CC(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O)S(=O)(=O)c1ccc(C#N)cc1 427923678 GSLBHXCUGZWCAD-IRXDYDNUSA-N 405.476 0.775 30 20 HCED N#Cc1ccsc1N1CC[C@H](N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1=O 436217396 IKFWMDIHKPUZCA-AWEZNQCLSA-N 415.475 0.018 30 20 HCED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 443263656 NFXOLFJWDKIYPV-BMIGLBTASA-N 400.826 0.977 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)cc1C 463794377 QPAVPDPVRAPTST-UHFFFAOYSA-N 412.475 0.776 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)c1ncc(C#N)cc1Cl 468966237 JQSAKPHZBLOCJX-UHFFFAOYSA-N 401.857 0.786 30 20 HCED CCOC(=O)C1CCN(C(=O)[C@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472164872 YWNQNCCSWJZXBL-INIZCTEOSA-N 416.526 0.912 30 20 HCED Cn1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 474403533 QSCZWEMMPZHDTQ-UHFFFAOYSA-N 415.475 0.788 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)c1 476492767 KFSKXRLPEIEREM-UHFFFAOYSA-N 412.494 0.557 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 480528908 SJVZIBVVQXUIKX-RHSMWYFYSA-N 418.519 0.990 30 20 HCED CCOC(=O)CN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481288442 QHKQZTZTQYLIEC-HNNXBMFYSA-N 422.507 0.322 30 20 HCED CN(CCC#N)S(=O)(=O)N1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 486724001 UAXXDEJVGMBWCB-CXAGYDPISA-N 403.468 0.970 30 20 HCED COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508369113 LOLPNDOQBCNGEK-UHFFFAOYSA-N 410.312 0.710 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CC(N)=O)c1ccccc1 512261346 AEQXUJQKNBQZFE-CXAGYDPISA-N 400.460 0.958 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 516014323 SCBCRLKJUFPEDK-UHFFFAOYSA-N 406.446 0.990 30 20 HCED C[C@H](O)CN(CCO)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 517205516 ZVJLGMBYBAIXKY-AWEZNQCLSA-N 403.439 0.130 30 20 HCED COCCN1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 520767404 OUPIRACVSXHYHB-GOSISDBHSA-N 420.535 0.796 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)C3CCOCC3)CC2)cc1 524069411 BEXKBIHNWKZMRS-IBGZPJMESA-N 421.519 0.863 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cc(CC#N)ccn2)c1 532184327 ALLUMVOFBDTDDF-UHFFFAOYSA-N 401.448 0.766 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)c1C 539191897 VJRBNIXOMKVWAN-UHFFFAOYSA-N 424.461 0.615 30 20 HCED COc1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1[N+](=O)[O-] 548697594 ZTNIMERPJOPDEH-UHFFFAOYSA-N 408.396 0.836 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)C(=O)Nc2ccc(C#N)cn2)c1 550903169 WWRHFDREWPQROX-UHFFFAOYSA-N 422.405 0.543 30 20 HCED Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 551542284 AWWBKPRZXAWOBI-UHFFFAOYSA-N 406.402 0.685 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)c2ccccc21 558123121 SFKIFOSDWXLUIT-UHFFFAOYSA-N 414.466 0.337 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc2[nH]ccc12 558222519 FAQVZRDMJZXUKV-UHFFFAOYSA-N 423.433 1.161 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3cnn(C(C)C)c3)CC2)c1C#N 562063938 HLDLZNSUQABMTN-CQSZACIVSA-N 412.498 0.904 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccs3)C2=O)cc1 571696498 AWWYHBQMORZVTE-OAHLLOKOSA-N 418.500 0.815 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 577563497 SPZINIBFQWQCDG-HNNXBMFYSA-N 421.527 0.521 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 578216411 KHFLSRVWQCBUNJ-SFHVURJKSA-N 401.463 0.717 30 20 HCED CN(C)C(=O)CCN1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 580025604 ZHHIPVVPLUZLQG-UHFFFAOYSA-N 413.526 0.728 30 20 HCED COc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2CCN(CC#N)CC2)c1 588124753 JERLIMMJKWHFNV-UHFFFAOYSA-N 401.511 0.690 30 20 HCED COCCN(CCC#N)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 588631045 JEEFJODMRGJAEE-JKSUJKDBSA-N 414.462 0.411 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 603575635 BLJVDOGYUXLHTQ-UHFFFAOYSA-N 416.525 0.326 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2nc(N)c(C#N)cc2C#N)CC1 603913693 AOUFREUBPWNBBB-UHFFFAOYSA-N 415.523 0.558 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 604183096 HOHXHSYFACYXOK-UHFFFAOYSA-N 416.463 0.606 30 20 HCED Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1C 608912336 SCKZBVXKFAMDRD-UHFFFAOYSA-N 424.526 0.446 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)nc1 609005579 PSYODPFUEJIJEX-UHFFFAOYSA-N 417.433 0.653 30 20 HCED COc1ncnc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609287302 OQGKCNJZGIEDAG-UHFFFAOYSA-N 417.447 0.512 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CCn2cncn2)CC1 610113658 JOZSDEPIPJHXLE-UHFFFAOYSA-N 407.482 0.586 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 610913336 UCTIFTLHKHMPBS-WMLDXEAASA-N 406.508 0.595 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(O)c3)CC2)cc1 610913377 RSCRAONOAMZYEG-UHFFFAOYSA-N 400.460 0.891 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 613104218 BWYBNWGFCAFPPD-HZPDHXFCSA-N 410.434 0.792 30 20 HCED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 619647439 PKWLLJOGXHOXJY-FHLIZLRMSA-N 408.499 0.700 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 726043474 OBLIDSAZTOBVAJ-RYUDHWBXSA-N 405.382 0.911 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(NS(=O)(=O)CCC)c2)CC1 728533150 BLXXVJUGSPTIMH-UHFFFAOYSA-N 406.508 0.346 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 729066836 QPBGNHMPEGITMP-UHFFFAOYSA-N 401.467 0.540 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cc(C)ccc3C)c2=O)cn1 732560866 AIODGFXOBYRVHB-UHFFFAOYSA-N 407.499 0.981 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732798478 YMXNPTFMRWQFHT-UHFFFAOYSA-N 417.560 0.786 30 20 HCED CN(C)C(=O)C1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 733277140 GGXXFGVWANFUMK-UHFFFAOYSA-N 406.508 0.880 30 20 HCED CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 733318640 DCWSWJFAJYLYSO-CYBMUJFWSA-N 422.463 0.252 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1 746013130 LJTLPYIXGMXMQS-LJQANCHMSA-N 418.475 0.048 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)c1=O 746561283 UYBTXVHCBJWJAZ-UHFFFAOYSA-N 420.425 0.914 30 20 HCED N#Cc1cccc(C2(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)c1 749016411 WCRSZVVAFYFYLI-HNNXBMFYSA-N 400.460 0.829 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1 750395799 SHVTTWVWHDCZHX-CQSZACIVSA-N 412.406 0.504 30 20 HCED 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CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 477419195 OOJOWLBYXPVZSL-UHFFFAOYSA-N 412.487 0.690 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNC(=O)c3cccnc3)C2=O)cc1 487157998 AIXSAKPMBUCLLW-GOSISDBHSA-N 406.446 0.783 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N[C@H](C#N)c2ccccc2Cl)n(C)c1=O 505642603 ZOYHNSVBQZLUSQ-CYBMUJFWSA-N 400.826 0.858 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)Cc3c(C)noc3C)CC2)c1C#N 506828113 SCVCAWFWHLJTGN-LBPRGKRZSA-N 413.482 0.601 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 508505070 MFFPJCNKTAVSGE-SFHVURJKSA-N 414.572 0.863 30 20 HCED C=CCN(C(=O)NC[C@H]1CS(=O)(=O)CCO1)[C@@H](C)c1cccc(-n2cnnn2)c1 509105648 ALLSNANGAPOUDG-YOEHRIQHSA-N 420.495 0.735 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c1 513110661 RMVLPICTFMWRDV-CYBMUJFWSA-N 401.510 0.162 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCO[C@@H](CNC(C)=O)C1 522784041 OGFBZFGKXJFDOO-KRWDZBQOSA-N 405.499 0.789 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 532101648 ORPXVLCIWUREMV-HNNXBMFYSA-N 423.495 0.909 30 20 HCED Cc1ccc(C(=O)NC[C@H](O)COc2ccccc2)cc1S(=O)(=O)NCC#N 532147458 FENMUXVCQIJQDW-INIZCTEOSA-N 403.460 0.967 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(CCC(=O)N(C)CCC#N)CC2)c1 534216247 JOHWSLYIQLIESA-UHFFFAOYSA-N 424.523 0.772 30 20 HCED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 537130923 HADLLXLJDTZANG-GDBMZVCRSA-N 408.480 0.244 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 540022472 CDFJODWGSBFQKA-OAHLLOKOSA-N 414.509 0.032 30 20 HCED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)cn1 545887968 TVMLFQSQKMHFRX-AWEZNQCLSA-N 404.434 0.902 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(N)=O 550106080 AVNUBKQUNDVQGN-UHFFFAOYSA-N 412.515 0.377 30 20 HCED C=CCOC[C@@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1=O 557416167 AHMYHQZNBSZBKC-HOTGVXAUSA-N 416.482 0.405 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 557497283 IBAGYPMTCJDCRE-WMLDXEAASA-N 422.507 0.321 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4cncc(F)c4)CC3)CC2)o1 560048213 DRIGDKFDAQIEBY-UHFFFAOYSA-N 413.457 0.860 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 560680092 PKEISSISVDPQEK-UHFFFAOYSA-N 410.584 0.957 30 20 HCED COc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1S(=O)(=O)N1CCOCC1 562322987 FYUAEDGYQRZZBH-SFHVURJKSA-N 410.496 0.290 30 20 HCED CC(C)c1nc([C@@H]2COCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 564522175 WNILTGMPDXZDOM-HNNXBMFYSA-N 419.463 0.943 30 20 HCED CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 565495915 TWAMWHMKHLIYOD-OAHLLOKOSA-N 408.480 0.800 30 20 HCED CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1(C)C 572654047 QWYBZLYENXZETM-YWZLYKJASA-N 412.450 0.760 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)C1=O 589920756 OSKSVKSAQSXSMY-QGZVFWFLSA-N 413.478 0.068 30 20 HCED COC(=O)CCc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)s1 609871746 XORQTVPGBJFMMC-UHFFFAOYSA-N 423.476 0.775 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)ccc1F 609954035 OTDPKGBFWRWSFD-UHFFFAOYSA-N 424.436 0.886 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 610810766 GSQAAFHWUOIPQW-CZUORRHYSA-N 423.491 0.794 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 613163542 IYMJQZKLKQLUHX-AWEZNQCLSA-N 403.468 0.993 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C(N)=O)CC2)cc1 616703264 GBFUKOHWBCZJDJ-UHFFFAOYSA-N 408.480 0.156 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1=O 619839631 FWZUIWIHOUTEQF-UHFFFAOYSA-N 409.402 0.959 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(CN(C)CCO)c2)C1=O 670383051 SPMURAWSDQTYNB-UHFFFAOYSA-N 408.842 0.679 30 20 HCED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 679752923 HGHXOKSWHXPLSK-UHFFFAOYSA-N 417.437 0.936 30 20 HCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 728573437 ROPOTYWGKDRSBP-UHFFFAOYSA-N 403.439 0.299 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(CC)Cc2ccc3c(c2)OCCO3)CC1 728686674 VJRQHYXFJPVEII-UHFFFAOYSA-N 414.506 0.173 30 20 HCED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc(C#N)cn1 730895063 DQIOSMUSHLQNEW-NSHDSACASA-N 400.416 0.735 30 20 HCED Cc1c(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccccc1 732908261 ILJRLWITPYHQLU-HNNXBMFYSA-N 401.448 0.084 30 20 HCED CCc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910643 RLMBHHQRNSXQSG-WBVHZDCISA-N 417.487 0.568 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 733000340 AWYGNOPPRDQBQD-UHFFFAOYSA-N 414.434 0.669 30 20 HCED O=C(Cn1ccc(C=NO)nc1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 736302607 NXMZEKZTXOALHM-UHFFFAOYSA-N 405.436 0.475 30 20 HCED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 741243452 XZQOIVSWIZQBCO-DLBZAZTESA-N 421.519 0.894 30 20 HCED COc1ccc(NC(=O)NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741341191 JHHXAAUHMSJJAQ-ZCXUNETKSA-N 416.390 0.803 30 20 HCED O=C(NC[C@@H](O)C(F)(F)F)C(F)(F)C(F)(F)C(=O)NC[C@@H](O)C(F)(F)F 748411388 BLVHFVKJXVFEAK-QWWZWVQMSA-N 412.180 0.336 30 20 HCED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 749671585 JWLRNYYHIMYAHB-HXUWFJFHSA-N 416.401 0.940 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 758054678 MQMHWDBCQDWLBM-UHFFFAOYSA-N 403.385 0.742 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3nc(COC)nn3C2)ccc1F 758328869 UWIHGCCSSWQKEX-ZDUSSCGKSA-N 423.470 0.773 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1 761030359 VKDZHTJHXNFZOT-HZPDHXFCSA-N 408.524 0.346 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 761030474 HYPZFBOJMOXUOV-UHFFFAOYSA-N 415.859 0.272 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1 761036267 FIJOLCMFSUSVFF-CYBMUJFWSA-N 416.450 0.700 30 20 HCED CCOC(=O)CN1CCC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 766379579 GGWBJQUVGLFEIQ-GDBMZVCRSA-N 423.491 0.796 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(F)cc2Cl)c1=O 767892893 XNJLXVXMGUIYDG-UHFFFAOYSA-N 411.867 0.774 30 20 HCED CC(C[C@H](C)NC(=O)OC(C)(C)C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 769583196 DKRHAGLFLHFFNA-JTQLQIEISA-N 417.488 0.042 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 770293043 NVFYKYVWKFZQHL-JKSUJKDBSA-N 421.567 0.646 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCC1 771079621 ULYXNEVHEXPCNB-UHFFFAOYSA-N 406.376 0.331 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccccc2OC(F)(F)F)c(=O)n(C)c1=O 771891351 NANOOJWFXBWPOB-UHFFFAOYSA-N 406.342 0.295 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2ccccc2c1O 771896485 AFOYOTIXKFEHGH-UHFFFAOYSA-N 402.432 0.645 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ccc(F)cn2)CC1 774828497 YBMFWKLAUMWRLN-UHFFFAOYSA-N 417.466 0.998 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 785065829 LOJGGTLQCFKMJS-FKIZINRSSA-N 413.434 0.753 30 20 HCED C[C@@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)c1cccc(S(N)(=O)=O)c1 785525245 UJBLCLGIYOWQOX-LLVKDONJSA-N 404.423 0.838 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785658963 FKYDNSWFSBWADN-KRWDZBQOSA-N 414.462 0.415 30 20 HCED CC#CCNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786426384 DBOPLKAHPQLRFD-UHFFFAOYSA-N 402.455 0.612 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCCCO)cc1 790986626 IVVNTMSCGKQFDZ-PGMHBOJBSA-N 410.496 0.717 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C1=O 793643659 GHJDABNDYCVRHD-GJZGRUSLSA-N 408.499 0.651 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCO1 796245897 OIQTXQDWRBPQEZ-CVEARBPZSA-N 400.501 0.979 30 20 HCED C#CCN(CC#N)C(=O)COc1cn(-c2ccccc2)nc1C(=O)N(CC#C)CC#N 799088718 OJXVJYQBZZDUMB-UHFFFAOYSA-N 414.425 0.835 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800902070 UAIPRHKPWIJVCO-ZDUSSCGKSA-N 403.505 0.134 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)c1 804052653 DNYUODQVCZQDGP-XLIONFOSSA-N 412.490 0.907 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 806766185 OMKDTGZGNHYJCB-NSHDSACASA-N 407.475 0.284 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)C2=O)cc1 808240389 UDOZBTJYNNJBDI-IBGZPJMESA-N 420.473 0.905 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)[C@H]1CCCO1 809310768 RUGLYIQIMFOFLD-QZTJIDSGSA-N 417.893 0.850 30 20 HCED CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3cccc(C#N)n3)cc2)CC1 810587239 VWEQAKPMPABSHK-UHFFFAOYSA-N 414.443 0.890 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 810773602 CCZVADONGZWREZ-CQSZACIVSA-N 411.505 0.609 30 20 HCED Cn1ncc(I)c1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813984580 XPCHMAUFABPKQK-UHFFFAOYSA-N 417.188 0.410 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)Nc1ccccc1C#N 914656551 ULGTXSBOYDLALO-CFVMTHIKSA-N 419.459 0.464 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 916199234 CZMGMSQPNTUEOP-UHFFFAOYSA-N 419.453 0.960 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCOC 917768997 QHZDLSWZMKQTTB-UHFFFAOYSA-N 406.533 0.741 30 20 HCED CCC(=O)N1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 920458068 JUEUZEHZGFKPQE-UHFFFAOYSA-N 406.508 0.976 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 1116046103 AISGXRCYOVGHMT-UHFFFAOYSA-N 414.429 0.660 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)CC1 1233891035 LGAMDXYELGUROL-UHFFFAOYSA-N 400.501 0.536 30 20 HCED N#Cc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 1309958256 RNSMBXUHHDJMLQ-UHFFFAOYSA-N 422.488 0.453 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1321266274 BCJCXLTVFXZVLD-KRWDZBQOSA-N 416.521 0.158 30 20 HCED CS(=O)(=O)NCCc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1322711299 NZBLTZUHVIFQBR-VLGSPTGOSA-N 406.464 0.035 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCCS2(=O)=O)CC1 1463638653 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0.432 30 20 HCED CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1762532394 QBGBATRLHVQZCF-GJZGRUSLSA-N 424.527 0.530 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1777847080 FAIIXUQTEYIBQL-PZPWOCDFSA-N 400.479 0.941 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)c1 1778722407 GRCPEYVGMPJGGF-QFIPXVFZSA-N 419.441 0.887 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1778968620 UXZRQIXYVDRQML-DYESRHJHSA-N 404.511 0.903 30 20 HCED Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)[nH]1 1779060395 BJNQLFKCQJQAJN-NRFANRHFSA-N 400.479 0.860 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060533 DVTCCNOWHIZDGG-QFIPXVFZSA-N 419.522 0.383 30 20 HCED N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)c1ccccn1 1779137495 ORQCEHLVSDKKHW-YIPJSWNASA-N 411.462 0.623 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1Cl 1780191256 BOKNNTJJPWMEBZ-LJQANCHMSA-N 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CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837876381 RGKWPZHXYPAKKZ-KXBFYZLASA-N 405.455 0.348 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058238 PEQGKWXSAPTHCY-DYESRHJHSA-N 401.463 0.119 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839173230 FWQUKJZJADWTPY-LAUBAEHRSA-N 423.510 0.046 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839223309 SCHUMNINJLUDHB-YLJYHZDGSA-N 421.498 0.449 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1839223391 ULRWKRHRJJHUEK-OXJNMPFZSA-N 421.498 0.600 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839225155 YZTHKTYRXGICAA-LIRRHRJNSA-N 423.470 0.436 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1840159951 RTZCSJAHUURMPL-FZKQIMNGSA-N 405.480 0.118 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1840168886 WZPPIHWGXIOMFF-LAUBAEHRSA-N 407.511 0.551 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840170416 DOSHIOOFSIZJSJ-VGSWGCGISA-N 414.506 0.775 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1840293698 PWUNVGYXYHEHGL-ISHFTEKXSA-N 417.550 0.977 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840535804 BFVJXLRSOYYIGW-RNXLQWHDSA-N 405.451 0.191 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1840843842 OMSKEGCURBBQCJ-QFIPXVFZSA-N 423.473 0.751 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1844238520 GCLQBCSMRWITQM-KGLIPLIRSA-N 411.499 0.606 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282727 ZVGGVXDAADUZDI-IBGZPJMESA-N 410.518 0.853 30 20 HCED O=C(c1cccn2c(O)nnc12)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844314160 DGOVFUUVHHZHCL-UFFVCSGVSA-N 408.418 0.964 30 20 HCED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)[C@@H](N)CCC(N)=O)C2)c1ccccc1 1844335093 KZLQANOOGXAODE-OALUTQOASA-N 410.518 0.980 30 20 HCED CCOC#C[C@@H](NC(=O)[C@H](N)c1ccc(O)cc1)[C@H]1N[C@@H](C(=O)O)C(C)(C)S1 2048529307 FUPMDIHCHGVAAL-AIANPOQGSA-N 407.492 0.769 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1=O 31794552 SDAXXQCFBNUAQP-UHFFFAOYSA-N 410.839 0.597 30 20 HCED CN1C(=O)C(/C(N)=N/OCC(=O)Nc2ccc3c(c2)OCCO3)=C(N)C12CCCC2 148764307 LJQBIXARTSUFFF-UHFFFAOYSA-N 415.450 0.683 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCO1 409513742 OBZICLLTOHIRRY-BXUZGUMPSA-N 402.835 0.643 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O 427290265 ZDTUINJFPXGWLB-HZPDHXFCSA-N 420.510 0.701 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O 427902725 ICUDZNYFGQEIKT-JQFCIGGWSA-N 405.476 0.822 30 20 HCED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 434814128 MWOVEIVDNHGPTC-CQSZACIVSA-N 409.512 0.982 30 20 HCED N#CCCN(CCN1CCOCC1)Cc1ccccc1S(=O)(=O)N1CCOCC1 434981420 GFLGFWCFQOCOCP-UHFFFAOYSA-N 422.551 0.755 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 435703629 BJYFZFFWMBIIJY-UHFFFAOYSA-N 424.461 0.858 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2ccn(CCC#N)n2)CC1 438311303 FPLHKWGSIRAGOT-UHFFFAOYSA-N 421.483 1.330 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)Nc1cccc(F)c1 438876335 SQTCTXHQFDDJJF-UHFFFAOYSA-N 421.392 1.280 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1C 443699786 QNBIFSMSZGUJBT-UHFFFAOYSA-N 407.390 0.900 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 464957121 WHDFGXVSJVDDAL-NEPJUHHUSA-N 411.388 0.732 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 465276974 UVLKQDDPYNBJKH-ZSEKCTLFSA-N 419.445 0.754 30 20 HCED COc1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1-n1cnnn1 471701585 PWDKLSYHOFUVCR-UHFFFAOYSA-N 407.438 0.547 30 20 HCED COCCCN1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472108152 LRRAYMBELOOQQU-UHFFFAOYSA-N 403.531 0.933 30 20 HCED C=CCCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 473315744 NQMYCQQFQKHGQQ-UHFFFAOYSA-N 408.480 0.218 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 475552567 WNQAKKHWTRZDMF-UHFFFAOYSA-N 410.883 0.667 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 475796731 ZKXFEGUDSWWWMP-QGZVFWFLSA-N 414.572 0.949 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 480950105 CUPAAVRHSWCVFW-GJZGRUSLSA-N 418.460 0.918 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H](N(C)C)C3)CC2)c1C#N 483430885 OSNRXDDMCYFORU-CVEARBPZSA-N 401.515 0.238 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 485698047 RHIKVIYXXGMJIF-MRXNPFEDSA-N 421.475 0.512 30 20 HCED COc1ccc(NC(=O)CN(CC#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 503545789 ADBOJDZJEBDRLW-UHFFFAOYSA-N 408.480 0.643 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 505597440 QZWUDFBATNQQLG-QGZVFWFLSA-N 402.451 0.695 30 20 HCED C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508907248 LQNYBUNWNUMALH-HIFRSBDPSA-N 414.441 0.890 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508921893 NRQHZGNYSBHULQ-OAHLLOKOSA-N 424.509 0.901 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)n1 510611999 CZPLHTBHWHIRCC-UHFFFAOYSA-N 413.873 0.978 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC2(CC1)NC(=O)NC2=O 511521594 GSNARCJQXXCPIP-GLIABKTBSA-N 412.454 0.089 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CC(N)=O)c1ccccc1 512378889 WIAFAJRZNUEUOU-DYVFJYSZSA-N 400.460 0.958 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CCO1 517327357 HYHNGHNGTYKHSI-OAHLLOKOSA-N 406.464 0.551 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 517848233 KZASBJFLWYIRFI-GOSISDBHSA-N 419.503 0.713 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3csc(CC)n3)CC2)C1=O 517864089 IJWLKPJIGOQQPJ-UHFFFAOYSA-N 405.480 0.327 30 20 HCED N#Cc1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c(Cl)c1 518448705 PPQPNEZMQKZPEH-UHFFFAOYSA-N 416.825 0.844 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C)c(F)c3)c2=O)cn1 521335906 LAIOKFSACMGDNO-UHFFFAOYSA-N 411.462 0.812 30 20 HCED CN(C)[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 522084150 VMBDDKXGOQEIQP-SFHVURJKSA-N 419.551 0.417 30 20 HCED C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)OCC 534401475 IXRUCXPMVAUJNT-BBWFWOEESA-N 403.545 0.856 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 539251159 ULKFNLHMJQYGHJ-WOJBJXKFSA-N 418.586 0.307 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ncn(C3CCCCC3)n2)CC1 551190485 OVSBILRHKQDHQQ-UHFFFAOYSA-N 408.466 1.337 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cc1 553682650 CSMGOELLKWWRPB-MRXNPFEDSA-N 404.492 0.963 30 20 HCED C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 557747117 KORXOYUAVFOFAZ-YXWSMURKSA-N 409.446 0.153 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(=O)OC)C1 559004665 QNGBQLXPPLXENI-MRXNPFEDSA-N 410.438 0.875 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)n1 561937465 NZMKBHQIFJGTKE-UHFFFAOYSA-N 407.438 0.326 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2=O)n(C)n1 564624716 VMNVDGUDFGLOPB-INIZCTEOSA-N 408.466 0.632 30 20 HCED N#CC1(CNC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 583240062 MVIONLUUNCFEPF-CYBMUJFWSA-N 412.493 0.577 30 20 HCED Cc1nccn1CCCN(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 584676513 KPJIHMPXNLHIRI-LJQANCHMSA-N 422.489 0.829 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 589158390 KQIYFXCSCHNHGD-UHFFFAOYSA-N 405.426 0.792 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)C1 589422127 SIFYSXHUIXYSBB-KRWDZBQOSA-N 405.524 0.075 30 20 HCED Cc1c(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] 609847934 NSUSAMCJQPZYFN-INIZCTEOSA-N 409.468 0.857 30 20 HCED CCN(CC)CC(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 728930097 IFHDERXJXKKPHE-KRWDZBQOSA-N 424.505 0.998 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 729281664 LUXUVDHJKUSSKH-LJQANCHMSA-N 410.518 0.886 30 20 HCED O=C(CNC(=O)c1cccc(Br)c1)NCCN/C(O)=C1/N=CC=CC1=O 731863383 VEMKSPZZMISKMF-ICFOKQHNSA-N 421.251 0.822 30 20 HCED NC(=O)N1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 733972099 QUNAKLFQEQKFOQ-CYBMUJFWSA-N 407.496 0.555 30 20 HCED C=C(Br)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 746170502 HYSOHKGYLISYBI-UHFFFAOYSA-N 410.315 0.687 30 20 HCED Cc1nsc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 746303833 YJQIVXXTDVEPHV-UHFFFAOYSA-N 406.493 0.234 30 20 HCED COc1cc(C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)ccc1S(=O)(=O)C(F)F 747065947 FPXUEXVCQASBJS-XQRVVYSFSA-N 414.386 0.985 30 20 HCED CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 747591586 YTILCTTVYNDNFR-KRWDZBQOSA-N 415.494 0.955 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(C)C[C@H](O)CN3CCOCC3)ccc2c1=O 751431270 NNFLQVXAJHYQPQ-HNNXBMFYSA-N 418.519 0.636 30 20 HCED CC(C)(CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)NS(C)(=O)=O 758483976 ZQQJMVHIHNUOPT-NEPJUHHUSA-N 403.505 0.372 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3ccc(OCC)cc3)no2)CC1 761023543 HWFPMBNSLHKFSC-UHFFFAOYSA-N 405.480 0.721 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 766982038 LCJIVQBTHJGVMB-UHFFFAOYSA-N 408.436 0.482 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CO)CC2)cc1 767854534 ZZQYDEIBOXPUHH-CAPFRKAQSA-N 423.495 0.168 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncs2)c1=O 767884351 QZHCXGXEXQVIDS-UHFFFAOYSA-N 404.517 0.528 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767888903 VIYDTRAXZHIFSL-UHFFFAOYSA-N 401.473 0.432 30 20 HCED CC(C)(C#N)c1ccccc1COC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 768035007 JIRROYDSJRTEBS-UHFFFAOYSA-N 404.448 0.936 30 20 HCED C#CCNC(=O)C1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 779892946 MEMSHKPWCONXTG-UHFFFAOYSA-N 401.286 0.457 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CCN2CCNC(=O)C2)C1=O 781101684 CIJPQIMTVXMURP-MRXNPFEDSA-N 417.535 0.803 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C 783545750 CEVQUBUTBFLTIU-UHFFFAOYSA-N 404.435 0.962 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)nc1 786118988 XWDYRWRRSAHCBT-UHFFFAOYSA-N 410.434 0.495 30 20 HCED Cc1cc(-n2cccn2)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 789570784 JQQCONMLBTZQOS-ISLYRVAYSA-N 408.418 0.762 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)[C@H]1CCS(=O)(=O)C1 789752052 KWRNRTFIOJSMDA-YOEHRIQHSA-N 419.503 0.659 30 20 HCED C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCOC2)O1 794306023 JCNDDGCUNJQEBU-AUUYWEPGSA-N 407.492 0.912 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 795824827 VEFRLJMYUSJJFU-UHFFFAOYSA-N 418.834 0.443 30 20 HCED C=CCN1CC[C@H](OC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1=O 798579063 MFSJJNVZEUYJMI-INIZCTEOSA-N 424.475 0.846 30 20 HCED C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 805969143 WIRJKGARSIAETR-QFBILLFUSA-N 400.479 0.907 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)n1 807367341 ROTVLTXDDYSVMB-HHHXNRCGSA-N 400.342 0.532 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1C#N 809501751 RMTMRGDWJIIMBG-QAPCUYQASA-N 411.462 0.889 30 20 HCED Cn1ccnc1[C@@H](O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810654858 AJFKUEQFTPTZLT-SFHVURJKSA-N 417.491 0.542 30 20 HCED CNC(=O)[C@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917431205 NHHGVUIAVUVHTL-CYBMUJFWSA-N 420.447 0.224 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(CCN(C)C)c1 1003069065 ASXJTTWHLCPCPX-QQXKLLMISA-N 401.511 0.898 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2C1 1116773450 QNZCLHHEQZZPLP-QGZVFWFLSA-N 407.478 0.811 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)CS(C)(=O)=O)cn1 1318560926 HZZGPPLVYMPQNK-JQWIXIFHSA-N 401.514 0.404 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1318713724 CDYZDRMBTHKQPU-UHFFFAOYSA-N 422.482 0.822 30 20 HCED CO[C@]1(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS(=O)(=O)C1 1352388373 KDAXPIHSNSQFKY-HXUWFJFHSA-N 414.487 0.959 30 20 HCED N#Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)ncc2c1COCC2 1436896563 VGYQTTYJXQQQCE-UHFFFAOYSA-N 418.431 0.892 30 20 HCED CS(=O)(=O)C[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1449902794 WXRYMYNLVGWLOM-ZDUSSCGKSA-N 413.521 0.541 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cc(F)ncn2)CC1 1449990483 XVFDCWHEEDVYAP-ZDUSSCGKSA-N 418.454 0.503 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN(CC(N)=O)C(=O)C2)n(C2CCCC2)c1C 1460223944 SUWWZFBZUNOFRA-UHFFFAOYSA-N 400.483 0.660 30 20 HCED CS(=O)(=O)c1ccccc1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1534456259 MNKLCPQBCPVJSC-UHFFFAOYSA-N 421.500 0.488 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C#N)C1 1543735654 PYYKRAIHLDQWHW-KBPBESRZSA-N 400.501 0.629 30 20 HCED N#C[C@H]1CN(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1555995086 MQJDCOGODIOOFN-HNNXBMFYSA-N 421.483 0.067 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C1CC1)C1(CO)CCOCC1 1557259747 VWUUHFHGGMPAQG-KSSFIOAISA-N 421.519 0.909 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)C1 1620347004 LONCOVQDKAPVMO-LKFCYVNXSA-N 403.340 0.350 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1629732594 KDVABYDXWZFSNS-UHFFFAOYSA-N 421.500 0.899 30 20 HCED COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640451162 VRIPMRNBITYKBG-SMDDNHRTSA-N 423.413 0.623 30 20 HCED CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(S(=O)(=O)N1CCO[C@H](C#N)C1)C2 1670628624 BCHHICWIDNVVPV-VBQJREDUSA-N 400.501 0.835 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC1 1691008854 OGRMHOMECGWNDE-MRXNPFEDSA-N 401.515 0.861 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1750970545 ULCUHAQPHOXHPI-HNNXBMFYSA-N 415.429 0.923 30 20 HCED CCc1nn(C)c(CC)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1764667114 WRILNNXXVWEYHI-XJKSGUPXSA-N 412.498 0.865 30 20 HCED CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1766867769 QQPXZXAIUNZUCB-ZIAGYGMSSA-N 411.532 0.497 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018580 BDQVCQOQLOXAEP-PIVOIACGSA-N 418.542 0.760 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106801 VCPSFICBZAJJFJ-VZNYNTKLSA-N 405.455 0.691 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1779265910 YJVUXZBECMVMCD-CBGDNZLLSA-N 403.479 0.830 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779316584 WKYDOCMKTLLNRN-WIYYLYMNSA-N 414.462 0.153 30 20 HCED NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779363682 IIGZEBWZGBNGAB-FBNGPRBQSA-N 407.515 0.238 30 20 HCED Cc1cc(C(=O)NCC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)no1 1779432397 COGMUNDJZSQTQY-DNVCBOLYSA-N 403.439 0.140 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](COC)NC(C)=O)C1 1779560172 ONEQOKVNTOOPHD-NNMXDRDESA-N 421.538 0.845 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnn4ccncc24)CCO3)c1 1780334274 ISGBSSXAKKLESZ-FQEVSTJZSA-N 405.418 0.686 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780396902 RDLSGOHCIKXNQJ-YBCYLVPRSA-N 405.455 0.082 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1780417586 ZDBYELQQDVKIRX-IFXJQAMLSA-N 406.439 0.940 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C(OC)OC)CCO3)c(C#N)c1 1781171210 MMFMWDCIMZXZAH-NRFANRHFSA-N 417.462 0.558 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CC)CCO2 1781264360 XDFRIBMVSBPYID-YWZLYKJASA-N 409.483 0.240 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccnn2)C1 1781545117 BSEMPNLWVVFRRF-AXVVYFOYSA-N 405.499 0.944 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1781742195 NKGZGZNFQDPRNN-VGUOSERISA-N 409.527 0.363 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)CS(C)(=O)=O)CCO2)C(F)(F)F 1783201034 PPXDRDIAFGAYRD-NHYWBVRUSA-N 412.430 0.616 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)Cc3cnc(C)s3)C2)C1 1784434989 ZIWZYWQBAFZCHR-FBQMEGEOSA-N 418.519 0.682 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)cc3)C[C@@H]21 1784474541 OAQGTZKTEDZZDO-FVCZOJIISA-N 416.474 0.789 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ncccc3C)[C@H]2C1 1784703376 OCAOOVOGRXFJTJ-AKSSPNHOSA-N 412.490 0.842 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc5c(n4)OCCO5)C[C@@H]32)CC1 1786694768 MKRBMRWACOJSOS-ZQIUZPCESA-N 412.446 0.750 30 20 HCED CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637085 CPUBTEPVLJYTFS-FHWLQOOXSA-N 419.522 0.191 30 20 HCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(O)nc4O)C[C@@H]32)c1 1789510497 RDKLHTFWUXLPET-XIRDDKMYSA-N 423.429 0.667 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(Br)nc3)C[C@@H]21 1790794096 WTDKEKHYYDWRHU-KKUMJFAQSA-N 406.280 1.000 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCC4)C[C@@H]21 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CN(C)c1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)o1 1797739053 RABANGCXPWFUTN-XVAHYZHKSA-N 418.498 0.416 30 20 HCED CN[C@H](CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1)C(=O)O 1798495362 SNCGEEASFIAJBT-PUZPGQGGSA-N 410.471 0.216 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](N)Cc2cscn2)C3)c1 1798693586 QQJLKMXAFDLRND-YXPYIKCWSA-N 414.491 0.116 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863539 ZPAOPEXEWXYQFH-NNNWTRQLSA-N 415.446 0.377 30 20 HCED N#Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CCOC2)C3)ccc1F 1799327540 WTIHPCNGOQSPAB-REGYPHIPSA-N 401.438 0.866 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccc(C)c12 1800104177 UWMBUMQZUNMTRF-BMFAXAFESA-N 410.474 0.884 30 20 HCED Cc1cc(C)c(OCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c(C)c1 1800774218 SWMNBSZEFIJQLZ-UPHUGPLXSA-N 414.458 0.668 30 20 HCED 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HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1cccnc1)CC2 1825664106 PTMBREKEPQWZMU-LLVKDONJSA-N 400.416 0.617 30 20 HCED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2CCNC2=N)CC3)CCC1 1828009112 HGUPHJWBZSNCFO-LLVKDONJSA-N 401.496 0.589 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)cc1 1829632123 PYASXKMEZMVXFI-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1831420309 WHPAHBGFNLFIGH-WIYYLYMNSA-N 420.510 0.547 30 20 HCED Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831491143 XEOJAHPZNLNLSG-GUYCJALGSA-N 414.553 0.871 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1831867109 DZLJNHVJVIWZTD-IBGZPJMESA-N 408.524 0.718 30 20 HCED COc1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccn1 1832601104 XBJOXEQPXHPLGW-QRWLVFNGSA-N 423.535 0.798 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)c3ccco3)CC2)CC1 1833086029 CPTCDUHNTJAYAH-JXFKEZNVSA-N 417.506 0.923 30 20 HCED COC(OC)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833390984 ZFKAJOCQKPIOOA-UHFFFAOYSA-N 403.483 0.690 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833472839 IKFHYCVCQDHVSO-IAGOWNOFSA-N 420.554 0.675 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1OC)CCO2 1833861361 VSUKSYRNUHBJHB-LJQANCHMSA-N 424.523 0.418 30 20 HCED Cc1cnc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)s1 1834061365 POEBZWIVYJQHDY-UHFFFAOYSA-N 404.492 0.725 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)c3cnc[nH]3)CC2)CC1 1834166034 NSXNXCTTWLSMCN-ARJAWSKDSA-N 414.510 0.453 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3CC)CCO2)C1 1834513870 HNBUZLHJVIHFIT-FOIQADDNSA-N 405.451 0.345 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)[C@@H]3SC(=N)NC3=O)CC2)CC1 1835113400 FMXCAFPQOJOCLN-DYVFJYSZSA-N 421.567 0.937 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1835344834 YIKBPVBEZHVXES-CNSRZQHFSA-N 403.483 0.218 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837391718 UNVLXANNSJBOPA-WWMYMODYSA-N 410.511 0.585 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837403625 WOHGMVZZHORFEJ-UTKZUKDTSA-N 408.495 0.710 30 20 HCED C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445381 WBKDYAQNDLSUNX-HYBJDKIXSA-N 406.527 0.961 30 20 HCED C=C(C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1)C(F)(F)F 1837968399 TZEBBTMGRHWQOS-UHFFFAOYSA-N 416.404 0.790 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838015479 PXTKQDIWWDPKEX-QFIPXVFZSA-N 423.473 0.915 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(C)c3C)CCO2)C1 1838380515 QADPPHKIPCCMOV-GCJKJVERSA-N 417.506 0.750 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncc4F)C3)C2)c1 1838737298 NNMTUCVGSIHGDR-FQEVSTJZSA-N 413.409 0.804 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839059963 NGFBYFPPUYDNCS-LAUBAEHRSA-N 418.494 0.881 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839676179 BEWLYRIOWDSZQE-LAUBAEHRSA-N 406.527 0.724 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1839811099 GPCWZYMZHICJLA-NRFANRHFSA-N 400.431 0.485 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840060050 WDPIZOZXAVGTLI-MGPUTAFESA-N 405.451 0.448 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H]3CCOC3)CCO2)C1 1840589083 YIHYDDQOXRUQFN-FGSXEWAUSA-N 424.538 0.833 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1)[C@@H]1SC(=N)NC1=O 1842919877 LDXPOWXCJIJLJY-STQMWFEESA-N 420.539 0.274 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C(=O)NCC)nnc12 25681456 ZMDLBTLMTVNWQC-GFCCVEGCSA-N 414.491 0.963 30 20 HCED CN1C(=O)C(/C(N)=N/OCC(=O)N2CCc3sccc3C2)=C(N)C12CCCC2 63456302 DJJYVZRUNXVACQ-UHFFFAOYSA-N 403.508 0.919 30 20 HCED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409500724 KMODGVFAMZRLSU-ZDUSSCGKSA-N 407.414 0.891 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 410117031 LLIXLXDXVZLNBO-CQSZACIVSA-N 418.541 0.694 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c(F)c1 433878640 RMKYIHDKWDDHTK-UHFFFAOYSA-N 400.457 0.131 30 20 HCED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 441585623 CHEAEGILTLMCMP-HNNXBMFYSA-N 414.853 1.463 30 20 HCED COC(=O)Cn1cc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)nn1 441894315 SLBZDRVIAINJPJ-UHFFFAOYSA-N 414.241 0.564 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCOC1 441940862 HMGYXOCLNQRWMZ-AWEZNQCLSA-N 413.474 0.891 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(C(=O)C2CC2)CC1 445154748 BKLVDONNVMJSTA-UHFFFAOYSA-N 414.462 0.993 30 20 HCED C=CCNS(=O)(=O)c1cc(-c2nc(CS(=O)(=O)NC3CC3)no2)ccc1F 445681123 CBQJRXXCZZAIKC-UHFFFAOYSA-N 416.456 0.922 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 445776304 USVVWOBKCTTYJV-GFCCVEGCSA-N 414.853 1.463 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cn1 462147560 VFWZYVNVNNMDNT-UHFFFAOYSA-N 405.480 0.680 30 20 HCED N#Cc1c(CCCNC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)nn(-c2ccccc2)c1N 471460308 TXOOSIVJFOVWCN-RHSMWYFYSA-N 411.466 0.591 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 476411371 OXWQFOGXLNUWAY-UHFFFAOYSA-N 407.558 0.774 30 20 HCED CCOC(=O)c1cc(NC(=O)NCCn2cnc(C#N)n2)cc(S(C)(=O)=O)c1 477133551 MDGDGEFBMHKPIK-UHFFFAOYSA-N 406.424 0.552 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCCN(c4ccccc4C#N)CC3)nc2n(C)c1=O 481086036 YDJBFNLPQUEOLJ-UHFFFAOYSA-N 418.457 0.856 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(COC)o2)c1=O 489007423 SDKCJBQCCRJVFW-CYBMUJFWSA-N 400.456 0.944 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cnc1C 489120312 ZVBNPLNFOJPQSV-UHFFFAOYSA-N 401.448 0.954 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2)nc1 489131730 DFZAUVALBJAPOM-DLBZAZTESA-N 400.483 0.703 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 499681300 VLXDNJMFUSGJPO-OIISXLGYSA-N 404.492 0.972 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)CC1 499904980 BXTKNJWLQLNAFK-OEAITIMISA-N 423.494 0.718 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCCN3CCC[C@@H]3C(N)=O)C2=O)cc1 503934858 CJACQUKJAXYDSN-QZTJIDSGSA-N 412.494 0.693 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCCN(C)S(=O)(=O)N(C)[C@@H](C)CC#N 509223107 JHTCRUBRGFWJPB-GJZGRUSLSA-N 422.577 0.198 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)n1 513176646 GNTKBJATRUTDBX-UHFFFAOYSA-N 412.381 0.477 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 513580447 OHDHISIOXXAYBB-UHFFFAOYSA-N 401.510 0.919 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O 513947105 SXJNPHOYVWOZBD-WFASDCNBSA-N 406.464 0.221 30 20 HCED CCC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 536174802 PMYIJUUMNSJHON-SFHVURJKSA-N 420.535 0.892 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 540401898 CPNXRNWNXJTTMF-QFBILLFUSA-N 421.567 0.938 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 542790909 YKDWHPOVLAZNDY-CQSZACIVSA-N 417.484 0.512 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(S(N)(=O)=O)cc1F 546607957 KUXLGKUXNURCOD-UHFFFAOYSA-N 400.395 1.486 30 20 HCED COc1ccccc1CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 550042379 QSCUMZUDWBAVHD-UHFFFAOYSA-N 410.478 0.616 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc2)CC1 551846400 SZNJLLHKMYSFMX-UHFFFAOYSA-N 421.523 0.569 30 20 HCED N#CCNC(=O)CNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 553427704 BFMAJXDWZCYQNL-UHFFFAOYSA-N 406.386 0.520 30 20 HCED COCCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 554150217 HYSOHFFDEGTIIU-QGZVFWFLSA-N 417.485 0.573 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 556048885 RVCAGYUOOVEEMK-ZDUSSCGKSA-N 412.493 0.211 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](CC)C(=O)OC)CC2)c1 557498303 XFHVXYGVFTWXSP-QGZVFWFLSA-N 409.508 0.860 30 20 HCED Cc1nsc(N2CCN(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 558606290 ZLMIKMDQWYWVTN-CYBMUJFWSA-N 412.541 0.436 30 20 HCED CC(C)(CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1CCOCC1 559382656 BEAYRXKQSOQIEI-UHFFFAOYSA-N 413.522 0.429 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 562116022 BKVPOWDHMQFKRE-UKRRQHHQSA-N 413.521 0.508 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)cn1C 574655821 AFIQYAVNMYSGGB-UHFFFAOYSA-N 422.492 0.133 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(CC)CC)CC1 578802236 UAVTXFQYHNIMRV-JQHSSLGASA-N 408.543 0.389 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(C)Cc1cccc(OC)c1OC 582017987 NMIKTUGWPOQUJN-UHFFFAOYSA-N 410.452 0.619 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)Cc2cc(OC)ccc2OC)C1=O 601023056 LSFGBRPIBUSCPX-UHFFFAOYSA-N 405.407 0.002 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)CC1 672356390 WZKHGJFAJFKFEO-FQEVSTJZSA-N 405.587 0.770 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)nn(C)c2C)c1=O 725764523 WZXVPPCDKRTMTG-UHFFFAOYSA-N 415.519 0.078 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NNC(=S)NCCCN(C)C)CC1 731929332 VNGLFPIXIXTFBE-UHFFFAOYSA-N 415.589 0.583 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 733149611 NDCXLZSIBDEGIC-OAQYLSRUSA-N 412.515 0.899 30 20 HCED CN1CC[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 737242269 RKTQEXLINUBXPK-KTNMXJNISA-N 421.523 0.506 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)cc1 741239168 JMPGSKDABICHHR-ROUUACIJSA-N 406.504 0.990 30 20 HCED CC(=O)NCC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742578970 WIQOVDYEIOKTLD-ZDUSSCGKSA-N 406.508 0.878 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743727665 RGSOFGMGKIXKIZ-UHFFFAOYSA-N 415.519 0.334 30 20 HCED C[C@@H](CC(=O)N1CCN(C2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 747432959 VZQLMMITZQYLLR-HNNXBMFYSA-N 420.535 0.827 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 747734991 BNPOQQBWYUVTQJ-NRFANRHFSA-N 414.437 0.581 30 20 HCED 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CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccc(F)c2C#N)c(=O)n(C)c1=O 778375757 YIGFFRWBNMCKSK-UHFFFAOYSA-N 402.382 0.836 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 778707865 XJTISEAATAXEKX-SJORKVTESA-N 406.527 0.916 30 20 HCED C=CCCOCC(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 779235550 YXTABSHEAWIKEK-UHFFFAOYSA-N 410.539 0.628 30 20 HCED Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cnc2c1c(=O)n(C)c(=O)n2C 779316081 NCBKTAHCTWNEDH-UHFFFAOYSA-N 419.463 0.084 30 20 HCED C=C[C@](C)(CCOC)C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 782438481 GXLAZSSNAPBHJV-HXUWFJFHSA-N 416.482 0.784 30 20 HCED CS(=O)(=O)c1nc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c2ccccn12 783156339 LETSXVJNTDWOFH-UHFFFAOYSA-N 412.387 0.715 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)c1 783461943 FRHLXQYISLLMOW-UHFFFAOYSA-N 421.392 0.785 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)[C@H]1CCS(=O)(=O)C1 783475938 SECMIKQURYPSGA-YJBOKZPZSA-N 419.503 0.499 30 20 HCED C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 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C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835392711 GOBXXDPDMBMPQZ-QFIPXVFZSA-N 421.538 0.543 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835849663 FUEJABVEPYBJOK-FQEVSTJZSA-N 404.467 0.954 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837045132 OGEZZTGHHRWLAJ-FQEVSTJZSA-N 414.487 0.879 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1837305178 RUVMDIDCXBBOGY-PGRDOPGGSA-N 421.538 0.983 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837373029 OOVANVCLZNFCST-GOSISDBHSA-N 403.826 0.086 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n[nH]1 1837588933 LDCKRORCGKJCAY-QFIPXVFZSA-N 423.473 0.903 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838512403 OTNLTMCSXDNTBQ-IIBYNOLFSA-N 419.478 0.269 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1838915662 AJTPFUIEQOGDGY-FQEVSTJZSA-N 404.394 0.292 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1838951815 JTONIZLDJMICQR-FQEVSTJZSA-N 412.402 0.636 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1839228016 QKNSTXJSBRPCCH-YWZLYKJASA-N 420.466 0.658 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(=O)C3CC3)cc1)CCO2 1839250782 LGEIHHFUVCRJKF-JOCHJYFZSA-N 411.458 0.738 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC(N)=O)C3)C2)c1 1839421917 SCWDOSVJYYNTDJ-FQEVSTJZSA-N 418.425 0.033 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1)C(F)(F)F 1839891530 KHFWHAOMMXUGRF-AWEZNQCLSA-N 406.386 0.727 30 20 HCED Cc1ccc(F)c(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043484 BDTWXFABJCELQZ-FQEVSTJZSA-N 404.394 0.292 30 20 HCED COc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840157754 ZOMAXQPFSYLKQG-FOIQADDNSA-N 424.519 0.849 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1840169273 UONZTAJRNBNQTM-NRFANRHFSA-N 406.479 0.756 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=S)NCC)C2)C1 1840295127 XUXCLNWNPZNLCS-HXUWFJFHSA-N 424.567 0.120 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1840840266 IVDZYYCNEJGCPB-SPEDKVCISA-N 420.506 0.836 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840939525 IRHGDHPBYNHAJD-GCJKJVERSA-N 423.554 0.502 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1841603322 YLRCYIMCOKIMPN-CYBMUJFWSA-N 414.487 0.981 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1845255309 SUWINUZKXHBXJQ-KGLIPLIRSA-N 412.487 0.834 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)C2 1846196529 LFOCHEGLUKYUAR-UHFFFAOYSA-N 406.398 0.754 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)C1 1846410563 YOHSFLKQERFGRQ-QFIPXVFZSA-N 417.506 0.975 30 20 HCED CCN(CCC/N=C1/NC[C@H]2CN(C(=O)OC(C)(C)C)CCN12)S(C)(=O)=O 305047575 YQIAQFRTGXYFLQ-AWEZNQCLSA-N 403.549 0.539 30 20 HCED C=CCNC(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1Cc1ccccc1 429884696 GAQFRZUXBWNSPN-UHFFFAOYSA-N 405.480 0.239 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 430396265 SQVKQVHJZFUJPX-QRTARXTBSA-N 409.508 0.951 30 20 HCED N#Cc1ccsc1N1CC[C@@H](N2CCN(C(=O)CN3CCOCC3)CC2)C1=O 433200749 SADOCZMTHDUTOY-MRXNPFEDSA-N 403.508 0.201 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCN3CCOC(C)(C)C3)CC2)o1 434707173 NNFRHFHTZHQCLX-UHFFFAOYSA-N 404.515 0.546 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C1CCN(C)CC1 440391333 NXMSINBDMFFJPX-UHFFFAOYSA-N 412.515 0.883 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N(CCC#N)CCCN(C)C 442012930 HXHLBXANZABQQA-UHFFFAOYSA-N 410.486 0.558 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442522164 JJTMJNWGRUJBLV-JSGCOSHPSA-N 401.398 0.820 30 20 HCED N#CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 465141935 VEIAFQRIXYRTQP-HNNXBMFYSA-N 421.479 0.663 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)cn2)c1=O 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0.992 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)C2=O)cc1 502295112 WBJLSMQQDLMCLW-OKZBNKHCSA-N 423.473 0.045 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 504747275 DFKCSTINZUORBP-CQSZACIVSA-N 424.454 0.289 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(C)C 505690576 SVWJEIWUONQFIX-AWEZNQCLSA-N 417.535 0.262 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cc2F)CC1 507175726 BSMOMALEMMATIX-GDBMZVCRSA-N 408.499 0.853 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 516501391 ILTHHJKMBYKJDS-MRXNPFEDSA-N 401.442 0.471 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 531131799 CRGMKIRCLXVEKV-UHFFFAOYSA-N 400.485 0.447 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(CC(N)=O)c2=O)n1 531655427 SZBCDGAALJSPMC-LBPRGKRZSA-N 414.487 0.307 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 531708603 SYCIADAYGRRVBI-GDBMZVCRSA-N 404.492 0.838 30 20 HCED C[C@@H](C#N)CN(C)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 536987041 QKVONQMELOZOQB-AWEZNQCLSA-N 411.484 0.801 30 20 HCED N#Cc1ncn(CCNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 552328349 TUAITFZCIIDNGP-CQSZACIVSA-N 404.452 0.037 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H](c3nc(N(C)C)no3)C2)CC1 557756170 MSVDHKFWCUJNGU-OAHLLOKOSA-N 404.515 0.998 30 20 HCED COc1ccc(CN2CC[C@H](NC(=O)NCCn3cnc(C#N)n3)C2=O)c(OC)c1 566370591 QWADWSLAMRNGJI-HNNXBMFYSA-N 413.438 0.267 30 20 HCED Cc1cccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 573647408 MLVCQAOSLMHKPV-UHFFFAOYSA-N 400.460 0.691 30 20 HCED CC(C)(C#N)CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 578283228 DSZXOWQNLSSVDA-UHFFFAOYSA-N 414.572 0.807 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)cc1F 579060064 LSPDSMDCWZFWDI-UHFFFAOYSA-N 401.442 0.793 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)C2=O)cc1 580851705 IRHGNVPEQKINNO-DOTOQJQBSA-N 406.446 0.567 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(Cl)cc2OC)CC1 582377959 IOBBJMQTBGMSCJ-UHFFFAOYSA-N 408.886 0.411 30 20 HCED Cc1cnc([C@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 582569081 GJMJTWRJMURGOE-GFCCVEGCSA-N 415.523 0.934 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CC2)c1 584458369 LIYDYGIYUBRWPA-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)[C@H]2C1 589032938 SBQWEPYKJLHHIE-BPUTZDHNSA-N 400.483 1.211 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc3c(c2)OCCO3)cc1 603467171 DLJWPURGOVJECG-UHFFFAOYSA-N 401.444 0.967 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2CO)CC1 610657108 CVFYRFZNTAOMBF-QGZVFWFLSA-N 406.508 0.238 30 20 HCED C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 645778758 DNMCGTGEXBTYBS-UHFFFAOYSA-N 423.539 0.820 30 20 HCED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 670208436 QACDYPATHAWDEL-OAHLLOKOSA-N 406.487 0.115 30 20 HCED C=CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 726655305 NEFISDYQVLBIIN-UHFFFAOYSA-N 411.436 0.937 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 728570614 HXCWWZIRBQHDLD-INIZCTEOSA-N 404.486 0.548 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 728571104 VLXRAVFBCNIGCU-FPOVZHCZSA-N 411.550 0.133 30 20 HCED Cc1ccccc1[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(N)=O 732907626 BNDOSOLVPHMCFL-LSDHHAIUSA-N 406.464 0.060 30 20 HCED C[C@@H](CC(=O)N(C)CCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742658552 WZTCQEXTZFNMCY-INIZCTEOSA-N 421.567 0.600 30 20 HCED CC(=NOCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn(C)c1 746330797 KRPUQJFSKATREB-UHFFFAOYSA-N 421.479 0.820 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1CCOCC 752190171 IWZVLIAWVRVVFK-UHFFFAOYSA-N 418.544 0.770 30 20 HCED CS(=O)(=O)CCCC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 754786275 KRNZALMNUYGJER-UHFFFAOYSA-N 409.283 0.950 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)c2OC)c1=O 758077107 RPBXXGPBHADACZ-UHFFFAOYSA-N 411.483 0.588 30 20 HCED C=CCn1c(-c2cnccn2)nn(CN2CC(n3cc(C(=O)OC)nn3)C2)c1=S 758969346 AFWJSRXOZHJOOE-UHFFFAOYSA-N 413.467 0.950 30 20 HCED N#Cc1cc(NC(=O)C2CCN(S(N)(=O)=O)CC2)ccc1N1CCC(O)CC1 762249404 VLZVIUVOXLUTJS-UHFFFAOYSA-N 407.496 0.373 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1cccc(F)c1 765888836 BEJWYQOMJREUHR-CZUORRHYSA-N 421.450 0.920 30 20 HCED C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 768985705 CEUVLCUICSRBKR-JPDJOPTESA-N 410.496 0.715 30 20 HCED N#CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 769629907 FIUKTKQUAUKKNL-UHFFFAOYSA-N 412.427 0.937 30 20 HCED CCN(CC)CC#C[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 770792279 OUPDLPRVOWEGQE-INIZCTEOSA-N 421.519 0.698 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCCO1 775800333 RJFRAJVLVWAZFA-DLBZAZTESA-N 409.483 0.429 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCc3ccc(C#N)cn3)cn2)CC1 782040018 CHORZGBMTDZEQO-UHFFFAOYSA-N 415.479 0.752 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)OCC 782770830 VFLVOYYYWVEZDE-KBPBESRZSA-N 411.480 0.324 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 783546647 OYYOSTJSPTUOPJ-INIZCTEOSA-N 400.522 0.865 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCCO1 787873937 HNSPOSSIUGWMMO-CCKFTAQKSA-N 413.474 0.818 30 20 HCED N#Cc1ccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)cc1Br 788589247 SHQRCKAUNSRUED-UHFFFAOYSA-N 401.286 0.549 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)c1 790930757 DEGWLQRGTTXDLV-SIFCLUCFSA-N 404.467 0.783 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc[nH]n1 804385778 RLMRTXVKVKSFHG-AWEZNQCLSA-N 420.470 0.490 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 916870797 NTVOAZKNSDRTHM-IFXJQAMLSA-N 404.398 0.454 30 20 HCED N#C[C@H](C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 916965567 HZOCFFXIKGQUAY-FZNKHGCOSA-N 421.409 0.912 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CS(=O)(=O)C3CCCC3)CC2)o1 919280167 OTGLZSHHBHYXPJ-UHFFFAOYSA-N 424.479 0.404 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 931904062 SDLKLUCCVKQWGT-UHFFFAOYSA-N 404.492 0.572 30 20 HCED COC(=O)Cc1ccccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1140534491 UKAZSHLXRTWANJ-UHFFFAOYSA-N 401.444 0.868 30 20 HCED C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1288642169 WUHYKTFVTZPJOL-RDJZCZTQSA-N 423.525 0.773 30 20 HCED CC(=O)N1CCN(CCn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1301767630 UBLGKAJARFKJIM-SFHVURJKSA-N 401.515 0.829 30 20 HCED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(O)CCOC1 1302685787 PPOJQEZXHBNWDF-QRWLVFNGSA-N 412.498 0.930 30 20 HCED CC(C)NC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1303443833 FIHKIYSVAFONLZ-ZDUSSCGKSA-N 411.532 0.543 30 20 HCED N#CCc1ccc(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 1319423997 CRRIOTNJHZIRLB-ZDUSSCGKSA-N 400.503 0.927 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1324072678 PGTRPUXSZLDZJI-QFBILLFUSA-N 419.507 0.521 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1cc(Br)ccc1C#N 1475481957 PYHNVWPPMSOGGH-WDEREUQCSA-N 409.283 0.411 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2n[nH]c(C)n2)CCOC1 1547920296 VBHNVLMQXUNQCJ-KDOFPFPSSA-N 402.459 0.328 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCCC2)CCO1 1555992360 OQBPARPOYFKELE-CQSZACIVSA-N 401.471 0.289 30 20 HCED CCCn1c(=O)n(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc21 1630030636 PNYFGCUERHMDGW-UHFFFAOYSA-N 410.434 0.553 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 1634500004 PFDRJRARRRVBBQ-UHFFFAOYSA-N 402.480 0.711 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1681906579 OFROBOKEUYLWRK-UHFFFAOYSA-N 405.524 0.713 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1696914279 OLRFODBLHJESTB-CQSZACIVSA-N 423.481 0.724 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1741924244 UWFIFPMEURRNPX-QEORTHHSSA-N 413.523 0.670 30 20 HCED Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748031639 LDNIJISDVRUECX-IBGZPJMESA-N 418.523 0.963 30 20 HCED COC[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1)OC 1749334860 BAZWZGKRKAWHIO-HUUCEWRRSA-N 411.528 0.972 30 20 HCED N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)CCO1 1750389062 VVTHOYCRNDWIRH-ACJLOTCBSA-N 418.479 0.150 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1766945674 QZOGBOAKXQICGM-KRWDZBQOSA-N 406.516 0.700 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2c(=O)n(C)c3ccccc32)C1 1778788350 JBICGDVPARJZOP-XMSQKQJNSA-N 410.474 0.487 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Cn3cccn3)CCO2)C1 1778966706 ARXXZRUZXSLYGE-XGHQBKJUSA-N 404.511 0.922 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1778969810 AQRPWVLSXNUDGE-KZULUSFZSA-N 407.427 0.335 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1779099108 AMLMALMRVIEEKG-XPLSHGQHSA-N 419.438 0.155 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779217474 MGNZPGCJHQFGFM-XMSQKQJNSA-N 407.474 0.796 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379935 NGBAIQLLHGXMFF-SFHVURJKSA-N 419.442 0.043 30 20 HCED CN(C)C(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780191591 GFKUPXSKWQYKKH-LJQANCHMSA-N 404.854 0.743 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CNC(=O)c4cccnc4)CCO3)C2)c1 1780330687 BUAMLYCQETWVCC-NRFANRHFSA-N 422.445 0.155 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781102526 YHVVBNJLMCJKGT-HLIPFELVSA-N 412.600 0.407 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1781270805 XAHMTKHBUZEWRO-QRWLVFNGSA-N 407.467 0.016 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1781399213 CDORLALDVMYYFE-QRWLVFNGSA-N 404.467 0.839 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782194846 OLWQFCBJHNJHJR-NRFANRHFSA-N 419.445 0.925 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1 1783199026 SRADRDGPWYMQBU-CQSZACIVSA-N 413.343 0.706 30 20 HCED C=C(C(=O)N1CC[C@]2(CN(C(=O)CCN3CCN(C)CC3)CCO2)C1)C(F)(F)F 1783203900 JAQLFXXMOPAPDI-SFHVURJKSA-N 418.460 0.572 30 20 HCED CC#C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1783567223 JNWIXEHHVBEBDL-MBSDFSHPSA-N 424.453 0.807 30 20 HCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1 1783917650 SFXFICXKWUNTOA-FHWLQOOXSA-N 409.442 0.559 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1784380313 BJCNTSXGPFTUFP-ZOBUZTSGSA-N 402.426 0.789 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn4cncc4c3)C[C@@H]21 1784483735 JSZHIPPDVQWSSY-LQJIQPLVSA-N 410.474 0.966 30 20 HCED N#CC1(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)CCC1 1785363966 TXNQQYFELHQRGD-OAHLLOKOSA-N 421.347 0.865 30 20 HCED Cc1ccc(C(=O)NCC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1 1785560895 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C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ccccn3n1)C2 1792489453 XYBLJKWBPIPMTP-IBRLJDPESA-N 423.473 0.396 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3ccc(F)cn13)C2 1793346332 LPZKTQUJUJBIJC-BKEDOTJMSA-N 414.437 0.715 30 20 HCED O=C(CC1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795457982 RZXPHRCTHYSKNY-XDWMUTNVSA-N 423.510 0.922 30 20 HCED CN[C@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2)C(=O)O 1796091520 NMBBCPSRYIJRTO-YYIAUSFCSA-N 405.495 0.386 30 20 HCED CC(C)CNC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1796465979 JEYARDITDRJNEC-REPLKXPHSA-N 412.490 0.728 30 20 HCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(OC)ccc1[N+](=O)[O-] 1796719986 CDMNXWYUFOCNDX-FVCICTRLSA-N 402.407 0.615 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccncc1)C2 1797814978 FRYYHKIZIDLLLG-NEDQEEEMSA-N 416.478 0.743 30 20 HCED Cc1cc(C(=O)NCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](S)C(C)C)C3)no1 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O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1Cc3ccccc3CN1)CC2 1825665592 SXPIJZBGCHSFIG-ZBFHGGJFSA-N 424.482 0.858 30 20 HCED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)C3(C#N)CCC3)sc2C1)C(=O)O 1828009133 IVVICHBERRVGFI-ZYHUDNBSSA-N 405.480 0.812 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1830054696 XPTXHACYVMSPSA-LAUBAEHRSA-N 401.463 0.726 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1ccccc1=O 1830057628 IAOOSPFLJVPREU-IIBYNOLFSA-N 416.478 0.415 30 20 HCED CN(CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C2(C#N)CCC2)CC1)C(=O)C(=O)O 1831167311 VDNLEMDHVZUEPM-INIZCTEOSA-N 418.494 0.843 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1831419722 PRSOBBBVXRSDGV-LQWHRVPQSA-N 409.527 0.518 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1831486768 HGJLXRCOYMQNPQ-UWVAXJGDSA-N 422.551 0.492 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)o1 1831790715 VVFJUOFGAAVOBC-OAQYLSRUSA-N 418.494 0.940 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)on1 1832563137 FGPPPPIMPCAZQR-IEBWSBKVSA-N 411.524 0.936 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834303491 MTCPVQOGAXRSEK-QFIPXVFZSA-N 406.442 0.598 30 20 HCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834753368 HSJPKZQTBBDZLO-OXJNMPFZSA-N 401.467 0.362 30 20 HCED Cc1nccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835099921 WPIKTNCWPRFHPI-QHCPKHFHSA-N 420.469 0.907 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)CC1 1835341763 FDZVYHCZSRFUDD-FQEVSTJZSA-N 410.434 0.332 30 20 HCED CCOC(CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)OCC 1835348068 OALRURVSRKCMGK-FQEVSTJZSA-N 409.483 0.536 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1 1835714671 TUBWTNFERQRRNN-XUJQIHCRSA-N 407.555 0.902 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835880571 FQXQURYCYOHVOR-LJQANCHMSA-N 417.491 0.920 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COCCOC)C2)C1 1837305658 FVTINUXXRUWAEQ-WIYYLYMNSA-N 410.511 0.874 30 20 HCED COc1cccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1837353528 YPUMHFSYEBXUEC-UHFFFAOYSA-N 415.446 0.790 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1837394625 FIOXHMGXLUTEOP-LAUBAEHRSA-N 420.510 0.546 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648789 UTFNYTLXGADEMH-XLIONFOSSA-N 403.483 0.174 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CC2)CC1 1838680702 XREKHAOLMBPMFE-QGZVFWFLSA-N 409.483 0.461 30 20 HCED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949580 JROMXPNSSNNKFD-FQEVSTJZSA-N 403.435 0.247 30 20 HCED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838949921 CURTYOOOCUQNQT-OAQYLSRUSA-N 400.479 0.580 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@H]1F)CCO2 1839101081 IYJQNSUWMZHWOK-CSODHUTKSA-N 417.437 0.751 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1839451438 SIJPWWDWYQLOQG-OAQYLSRUSA-N 424.461 0.379 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839840518 HIXQMUCMRKKCCD-UTKZUKDTSA-N 403.479 0.517 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(n3)OCCO4)C2)C1 1840159372 AIXUAKVKTZBNFL-BFUOFWGJSA-N 423.491 0.241 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840161975 HUWLMYDWEWJLPC-XIKOKIGWSA-N 409.464 0.199 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840167529 WRQUXGYZOWKMQN-IRLDBZIGSA-N 400.475 0.980 30 20 HCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)CC1 1840816052 NJDZOMOTIPZVGN-IBGZPJMESA-N 405.451 0.090 30 20 HCED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1)C(=O)O 1840835898 NDQQKTUDYKHJKJ-UTCNALHMSA-N 400.497 0.428 30 20 HCED COc1ccc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nn1 1844603781 VBRKYNYYHSMLJJ-PBGVMVHZSA-N 403.439 0.831 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nccc(OC)c2OC)C1 1844840430 VBEAUBALDVDMIW-SREVYHEPSA-N 414.462 0.774 30 20 HCED CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCCC#N 11546012 QLGCLEGPDDZNCQ-CQSZACIVSA-N 406.464 0.857 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 15514079 CYWXRRZZINXOMA-UHFFFAOYSA-N 402.476 0.802 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(C/N=C(/N)NCCCN2CCOCC2)cc1 305731284 ZHTGPIGOOPPQFH-UHFFFAOYSA-N 411.572 0.748 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 409581246 KBAFFZLRKVTLQH-UHFFFAOYSA-N 424.523 0.489 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(NC(=O)c3ccccn3)c2)CCO1 409585961 PKMXHPMKQMXTEJ-INIZCTEOSA-N 401.448 0.893 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 409586405 KEODOSQWRITHNR-OAHLLOKOSA-N 411.503 0.790 30 20 HCED Cc1ccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1S(=O)(=O)NCC#N 426867943 YDQHPXCVBTWCHK-UHFFFAOYSA-N 416.463 0.019 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 437065198 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Cc1nn(C)c(N2CCN(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)c1C#N 472076061 YQAHFCFGFCEJIS-INIZCTEOSA-N 416.530 0.019 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3c4ccccc4C[C@@H]3O)n2)cc1 472810968 QPUPZBJHXRDZNK-ZWKOTPCHSA-N 402.414 0.911 30 20 HCED CN(CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)S(=O)(=O)c1ccc(C#N)cc1 474758496 PZRYZYXPIFSAHR-QGZVFWFLSA-N 420.491 0.075 30 20 HCED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475217664 XVGOKUVFWALOOH-UHFFFAOYSA-N 411.462 0.895 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@H](C#N)c1ccccc1F 476751079 WCHJDUOGROBGCI-BDJLRTHQSA-N 404.423 0.972 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488639253 GLKBXGGVHJWWMG-QGZVFWFLSA-N 423.477 0.172 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)C2)nc1 489446460 NVFJQDAXMJXZQZ-HNNXBMFYSA-N 420.451 0.224 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCCSC 497552190 XYLIIYUSELTULK-UHFFFAOYSA-N 406.558 0.925 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(-c3ccco3)cs2)CC1 498996963 AAZUVBJZTAMUDC-UHFFFAOYSA-N 403.464 0.788 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 500648350 DHOMQXSMDKJHBM-GFCCVEGCSA-N 422.912 0.568 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 504663687 VPFLXAMGSVFMSC-UHFFFAOYSA-N 412.498 0.415 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2C)C1=O 504704133 TWLDYPUVXCZMBW-UHFFFAOYSA-N 414.418 0.383 30 20 HCED CSC[C@@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 508090015 SXGCYHSMCOZADY-OAHLLOKOSA-N 419.550 0.631 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2CC)c1=O 512757360 JCZNRJYCOFJZMP-UHFFFAOYSA-N 415.544 0.391 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 516560336 ZDFAEHRCVMTMHS-UHFFFAOYSA-N 410.496 0.375 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)C1=O 522023224 GWVAQXJRYJFQDN-QGZVFWFLSA-N 416.478 0.501 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2N2CCC(CO)CC2)C1=O 534257596 WJGBBYUKHXMMOA-UHFFFAOYSA-N 400.435 0.811 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 539382375 MFKMOIJOODFGDR-CABCVRRESA-N 422.507 0.321 30 20 HCED Cn1c(N2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(C#N)c(=O)n(C)c1=O 542018478 QCVVDDWYLHRCRK-SPLOXXLWSA-N 419.445 0.959 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)C(=O)NCC2 543609675 PXBKNSQBBQXQCL-CYBMUJFWSA-N 412.471 0.827 30 20 HCED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549656495 JNEBJTREFYRLPX-HIFRSBDPSA-N 403.443 0.772 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cc(OC)c(OC)c(OC)c2)C1=O 550492988 CBLJHKZVSAVDFL-CQSZACIVSA-N 405.451 0.574 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@H](C(CC)CC)C2)CC1 554683964 OWWKHZFLIQLAPB-MSOLQXFVSA-N 408.543 0.533 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@]2(CCOC2)O1 555035327 IKSXNYRMMPMMRT-JLTOFOAXSA-N 410.434 0.874 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc(OC)cc1OC 555036566 UBLQROQYUODXTI-UHFFFAOYSA-N 415.406 1.568 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2C[C@H]2CCOC2)CC1 555520030 VKQWNPVCQLDLCL-YQVWRLOYSA-N 418.542 0.836 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1C 560053381 ZINGOUYXFMZCFY-UHFFFAOYSA-N 406.446 0.909 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 569305255 FTUWPOKFHKJWDW-UHFFFAOYSA-N 423.498 0.763 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 573599728 PSTDDVQQWMABAT-AWEZNQCLSA-N 411.459 0.413 30 20 HCED C[C@H](NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 573929150 UWFVUTRSDPBVBT-AWEZNQCLSA-N 400.460 0.830 30 20 HCED CN(Cc1nnc2n1CCCCC2)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 582151039 FHGDBHPNJFCHRB-UHFFFAOYSA-N 402.480 0.813 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC[C@@H]3CCOC3)CC2)cc1 583276268 UJUSRJGBINEPEB-INIZCTEOSA-N 413.521 0.621 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccncc2)C[C@H]2CCCN2CC)C1=O 597884791 PAQYVPIMYLRZPL-QGZVFWFLSA-N 413.478 0.871 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCCC#N)c2)c(=O)n1C 608855549 QLBDEULMXHVLMY-UHFFFAOYSA-N 408.483 0.935 30 20 HCED N#CCn1c(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc2ccccc21 609170882 ZLOVKXSPGAJBKP-QAPCUYQASA-N 402.476 0.392 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cn1 609185347 ZTHZCDIBBUAUEG-UHFFFAOYSA-N 403.464 0.640 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 619762677 HRBDGXLODRSBMK-UHFFFAOYSA-N 408.484 0.335 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCOC2)CC1 727907642 NYQMKZYBTKQFDF-INIZCTEOSA-N 421.475 0.361 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)nc1 730892118 HVMJRBCPMWZLTB-UHFFFAOYSA-N 408.414 0.899 30 20 HCED N#C[C@@H](C(=O)COc1cccc(Br)c1)C(=O)N1CCS(=O)(=O)CC1 732910808 SMLVZDGTYVNGDW-ZDUSSCGKSA-N 415.265 0.794 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)COc3cccc(C=O)c3)CC2)o1 733597137 UNMIPCZZIBHSLQ-UHFFFAOYSA-N 412.402 0.938 30 20 HCED C[C@H](OC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)N(C)CCC#N 744759979 PKMWPLLOEXRHFD-JLJPHGGASA-N 405.426 0.634 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c1 746275799 FUPAFEICRQSPKS-UHFFFAOYSA-N 424.482 0.828 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3ccncc3)n2CCOC)CC1 748649986 JPNONKVGKVWVOZ-UHFFFAOYSA-N 400.508 0.856 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4=NC[C@@H](C)S4)CC3)CC2)o1 750829783 LUKAGNVODPLUDI-CQSZACIVSA-N 417.539 0.612 30 20 HCED CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 751449805 HMIWGXKKEHBRGW-UHFFFAOYSA-N 400.400 0.917 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3C)C1=O 753361803 QEYMWXYRKQNLCY-UHFFFAOYSA-N 413.386 0.298 30 20 HCED CCS(=O)(=O)NCCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 753387908 HQVAVOZDHUELKK-GFCCVEGCSA-N 403.482 0.098 30 20 HCED N#Cc1c(N2CCN(CC(=O)NC3CCCCC3)CC2)cccc1S(N)(=O)=O 754993550 OCVWIANNMNWOIV-UHFFFAOYSA-N 405.524 0.777 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 761669559 ZKGKADXXWRBJFF-UHFFFAOYSA-N 417.397 0.553 30 20 HCED CN1CC[C@](O)(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 762720741 ZJGDGCQECCIMLA-IBGZPJMESA-N 408.524 0.468 30 20 HCED COCC#CCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 762754085 JDRDCMOGTBWFEL-UHFFFAOYSA-N 422.503 0.801 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 767810415 LQEIDOXHRBPUNO-GFCCVEGCSA-N 419.463 0.511 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769641556 PXEXYFQEHIMYJT-SCLBCKFNSA-N 406.464 0.823 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C3CC3)c2=O)cn1 772301814 ZDNSEYAVRWTOMO-UHFFFAOYSA-N 424.530 0.209 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(C)(C)O)cc1 773898374 DMXPXPDFDWICEA-RCCKNPSSSA-N 410.496 0.715 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)n(C)c1 778911004 PPQCWNNLCOHTGG-UHFFFAOYSA-N 404.448 0.620 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 782986973 HPOJJVJWXWFEDO-UHFFFAOYSA-N 414.427 0.858 30 20 HCED N#Cc1c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cccc1S(N)(=O)=O 784556456 IVSVQPSVWHJAEF-UHFFFAOYSA-N 414.443 0.897 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[C@H](OC)C3)CC1 784732150 NAMBFMCZBVDXRQ-GOSISDBHSA-N 400.479 0.185 30 20 HCED COC(=O)[C@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(C#N)c1 785657873 ONRZCVZCRMPLOR-IEBWSBKVSA-N 415.446 0.496 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](O)C2)c1 789607527 IKWISLSQCWMTMX-GMQBNRQOSA-N 422.507 0.715 30 20 HCED C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cn1 791265246 XWNAWNAQCNIUJJ-UHFFFAOYSA-N 406.439 0.606 30 20 HCED Cc1oc(C(=O)NS(=O)(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCCC1 793205562 XLOMYUDHLSXHST-UHFFFAOYSA-N 401.466 0.736 30 20 HCED C#CCN1CCN(C(=O)CNc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)CC1 795282637 HEKVHLDKXHWULL-SFHVURJKSA-N 420.535 0.021 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 799260950 GKNJYXYXJKFNJZ-HNNXBMFYSA-N 411.911 0.989 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)CCO1 800101584 XHVNAMYVQYUPEC-YPMHNXCESA-N 403.844 0.203 30 20 HCED C#CCNC(=O)COC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803968216 RPCKKJHIZLUWRK-UHFFFAOYSA-N 402.469 0.093 30 20 HCED C=CCCCCCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 806003759 YIEFHJFLESHMOJ-UHFFFAOYSA-N 401.577 0.942 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)c2ncccc2c1)[C@H]1CCS(=O)(=O)C1 815590780 IQVUUFFPUGHHNE-HNNXBMFYSA-N 401.444 0.831 30 20 HCED COCCCn1c(S)nc2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccc2c1=O 820475935 CTOROKKPVMYWPH-CYBMUJFWSA-N 406.464 0.832 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)NCC(=O)OC)ccc1F 914657293 HDPFWCKNABPTKK-JTQLQIEISA-N 402.400 0.125 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916867524 BYEUWCDPNJMOOC-QGZVFWFLSA-N 423.491 0.573 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)nc1 918684450 QKPRNLTZDXZWQY-UHFFFAOYSA-N 411.443 0.447 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccc3nnnn3n2)CC1 921163778 QOQSSAKGWAFBKI-UHFFFAOYSA-N 404.434 0.737 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(O)n(C)c1=O 996930658 JNFDOBRGWWHVTO-MLEONAHRSA-N 402.451 0.329 30 20 HCED C=CCOc1cccnc1C(=O)NCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058232331 LYZLXKSPTRLIHB-KSTXQTNUSA-N 401.463 0.621 30 20 HCED CS(=O)(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 1272630933 QIGGUTHSJLYUOR-UHFFFAOYSA-N 411.436 0.906 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCCC2)C1 1316532398 OCLQBNLNQXCHIP-LJQANCHMSA-N 403.462 0.888 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCS(=O)(=O)Cc1ccccc1 1318454237 IQTAOXWRULKMJL-WUKNDPDISA-N 406.464 0.427 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCC[C@@H](C(N)=O)C1 1320673395 QECQBEUTAYBDBB-IMJJTQAJSA-N 412.446 0.567 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NCCN3CCCS3(=O)=O)CC2=O)cc1Cl 1435985862 MJOUKOUHULKYAF-ZDUSSCGKSA-N 410.883 0.716 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCOCC2)C1 1469681501 JQCSRKWLNPDOHU-KRWDZBQOSA-N 420.535 0.827 30 20 HCED COCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1474844534 SSSRGPPHPUQZAR-UHFFFAOYSA-N 402.270 0.800 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1508422915 KHFVWYZNDPIHIJ-CYBMUJFWSA-N 408.466 0.876 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)C(=O)NC 1545928878 LJDZSYSOPPLURV-AWEZNQCLSA-N 405.503 0.697 30 20 HCED N#CCC1(CS(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1561233665 VHPNXWXPZSSQLZ-MRXNPFEDSA-N 420.539 0.895 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1611308084 LJMGDEKNINBTNJ-DZGCQCFKSA-N 422.515 0.131 30 20 HCED C[C@H](CN1CCOCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1611621607 OECSRXDJJBCEDW-SPYBWZPUSA-N 405.478 0.639 30 20 HCED CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1615626773 ZJKFFNUYONIHTE-CABCVRRESA-N 412.516 0.182 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1627574932 UQSSSRLGQCVXTN-LBPRGKRZSA-N 405.455 0.972 30 20 HCED N#Cc1cn(CCC(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)c(=O)nc1O 1639156243 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0.235 30 20 HCED C=C(C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2nccn2)C1)C(F)(F)F 1780822837 XTNKHWOXDSFLGJ-CZUORRHYSA-N 401.389 0.911 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1781272192 YOJUKKXZLBMINV-IBGZPJMESA-N 405.455 0.008 30 20 HCED C[C@@H](NC=O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299115 CXEPGFJUHPKQOQ-VLIAUNLRSA-N 402.426 0.204 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1782192030 MPRDKTJJYIMONE-TYCQWZJGSA-N 408.495 0.920 30 20 HCED COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(C#N)c[nH]5)CCO4)C3)(C1)C2 1783443849 NTUUGBRPMYRKIY-XVAXZDLZSA-N 412.446 0.673 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cscn3)C[C@@H]21 1783530197 KXCMSKLORJVBIN-MYVDIJBLSA-N 404.492 0.595 30 20 HCED CSCC[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1783970812 CTKZMZZGXCINOI-MPGHIAIKSA-N 401.529 0.731 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NCCC)[C@H]2C1 1784374184 MDYVAZFAKLOLLJ-OWSLCNJRSA-N 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C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1845228704 GGBSQEAOFLANHC-HZPDHXFCSA-N 423.510 0.504 30 20 HCED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2)c1ccc(O)cc1 1846415691 ATXIVHADEOXNFC-GOSISDBHSA-N 423.517 0.933 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)ON=C(C)C 1847786453 REOITZHGKRCQGA-QPSCCSFWSA-N 402.517 0.317 30 20 HCED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1848094693 SIQNLXPIAODFRE-HOTGVXAUSA-N 417.462 0.843 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C1CC1 25875825 CMRIEPWKFFKTBN-QGZVFWFLSA-N 415.418 0.985 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29249713 GFULGTHDJSZAJO-UKRRQHHQSA-N 421.523 0.580 30 20 HCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCN(CCO)CC1)CCCC2 97286775 GJNNRPSUIPEODL-QGZVFWFLSA-N 415.538 0.966 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 431491997 ACBWOCZVVHYEGQ-UHFFFAOYSA-N 424.479 0.016 30 20 HCED COC(=O)[C@@H](NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(C#N)c1 434859158 CSMYRKUVMLKDNN-SFHVURJKSA-N 417.491 0.949 30 20 HCED N#C[C@@H]1CN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)CCO1 436136731 XUGINGPWEMNDLY-QGZVFWFLSA-N 418.519 0.975 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 440094018 DDARYONUWZODIT-CVEARBPZSA-N 415.537 0.741 30 20 HCED N#Cc1cccc(CCNC(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)c1 440137413 YZZYVOKEPJRVGY-UHFFFAOYSA-N 423.477 0.850 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)n1 440151567 PNSCEVUIEKRNDY-UKRRQHHQSA-N 412.837 1.073 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 440388150 HWYPKTFUMAFVQO-UHFFFAOYSA-N 419.466 0.811 30 20 HCED N#Cc1ncn(CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 447728726 MIKFXAAGTDDELR-OAHLLOKOSA-N 400.414 0.123 30 20 HCED CCC(=O)N1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 448340384 WKUNVRBGLCPGTL-MRXNPFEDSA-N 404.492 0.650 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 470792298 IUSQBFGBBIKLTJ-VQTJNVASSA-N 411.462 0.865 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473395607 MZFLIRYMTKFHKA-SFHVURJKSA-N 418.519 0.980 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cccc(C(N)=O)c1 481513281 VIEZTLYMWKZXDH-CYBMUJFWSA-N 400.460 0.683 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C 481975895 IGZTYELYGTYJTC-UHFFFAOYSA-N 402.501 0.426 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 487761278 WPKAJYMQLOZQPY-WBVHZDCISA-N 408.524 0.434 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C#N)nc2)cc1 507435997 RSWIHQAQAKVNPA-UHFFFAOYSA-N 410.477 0.356 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 507982047 OPQDFUNFWLAMAP-UHFFFAOYSA-N 411.466 0.439 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC2(CC1)NC(=O)NC2=O 511521593 GSNARCJQXXCPIP-BYKITBGFSA-N 412.454 0.089 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511903916 ANBBJTJFJJWSRJ-XBMUEBEBSA-N 417.510 0.978 30 20 HCED Cc1cc(CN2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 512457570 OHGPWTTVJLWEIP-UHFFFAOYSA-N 417.491 0.820 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 515392963 HIKZAEYFKPEJNR-UHFFFAOYSA-N 407.559 0.156 30 20 HCED N#CCCCS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 520362819 YTGVDQJRKDWMKJ-HNNXBMFYSA-N 401.510 0.867 30 20 HCED N#C[C@@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 521575563 VJWCEFSCWVQXFP-CQSZACIVSA-N 409.464 0.657 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 526106169 CYWVRLAZZXPUKG-CQSZACIVSA-N 423.491 0.843 30 20 HCED COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)CCCc1[nH]nc(N)c1C#N 534830668 ZQEWPDZPTVRATB-UHFFFAOYSA-N 413.482 0.800 30 20 HCED N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cn1 545184858 YOJJUIYFQHIVGY-UHFFFAOYSA-N 404.433 0.587 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](Cc2cnn(C)c2)C(=O)O)c1 548552811 XUIVOHVLTAWZNJ-HNNXBMFYSA-N 406.464 0.558 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 550278050 SPVXQKZLOHNXML-GOSISDBHSA-N 414.510 0.075 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CCN(CC4CC4)CC3)C2=O)cc1 551288331 KKSKIQUSTHKCDR-FQEVSTJZSA-N 423.517 0.766 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H](C)N1CCOCC1 553277128 AKWPBMTUZAZGOP-NSHGMRRFSA-N 413.522 0.448 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCOC2)CCO1 559212758 RUMFYLBHBSAQST-PBHICJAKSA-N 407.438 0.686 30 20 HCED Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 562196759 WOKLPIGICIZSJI-RDJZCZTQSA-N 403.464 0.607 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 565356001 QTBMBXOFOCYUSQ-OAHLLOKOSA-N 421.461 0.842 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CC2)n1 572621814 UWKCVVSUNPFYFZ-UHFFFAOYSA-N 419.489 0.782 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCc2nnc3n2CCCCC3)c1 578103002 JEHAPMRWPDVDNZ-UHFFFAOYSA-N 416.507 0.903 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 579074825 DOOJDVFSXWGKFM-LLVKDONJSA-N 404.370 0.666 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 582317067 ALJHAGSEEZNIBU-IAGOWNOFSA-N 410.584 0.671 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)CC1 588125098 WWPGDTBJNXNJPM-UHFFFAOYSA-N 418.542 0.713 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588866320 NQURUBWZZUHZRN-JMGYQRAPSA-N 402.476 0.197 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1Cl 604031798 OWIRLTAUHXHAGS-LLVKDONJSA-N 405.885 0.183 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 608922643 NZEMDYIFULMWON-UHFFFAOYSA-N 402.432 0.610 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCCN3CCC[C@@H]3C(N)=O)CC2)c(F)c1 609355103 KXWCSERHHPDDQO-GOSISDBHSA-N 402.474 0.869 30 20 HCED COCCNS(=O)(=O)c1cccc(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)c1 609804449 NRNHHUWYOZVQDT-GOSISDBHSA-N 402.476 0.799 30 20 HCED N#C[C@]1(F)CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 615646313 RCZJHISLXOFRHM-FXAWDEMLSA-N 402.426 0.435 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O 726040586 XBXHFBWLZIBXED-UHFFFAOYSA-N 416.434 0.231 30 20 HCED C=CCN(CC(=O)OCC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 742615530 IJXMPRBKLQZCGL-UHFFFAOYSA-N 409.508 0.571 30 20 HCED C[C@H](CC(=O)O[C@H](C)C(=O)NC[C@@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 745496581 NHUPXVANNAVPAY-MCIONIFRSA-N 423.491 0.731 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)NC(C)C)ccc2c1=O 746399674 UMDABQNQSKJPJB-UHFFFAOYSA-N 410.521 0.929 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CC1 747992139 URPSAYKFIRQXCJ-UHFFFAOYSA-N 400.479 0.554 30 20 HCED CN(C(=O)COC(=O)COc1ccc(S(N)(=O)=O)cc1)C1(C#N)CCCCC1 750172398 OGYMNOIOKJUVES-UHFFFAOYSA-N 409.464 0.941 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C1 755543367 BODIYMZRNQCIJJ-WDEREUQCSA-N 412.397 0.962 30 20 HCED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 755722948 SIZAEPOEOHFLBN-FQEVSTJZSA-N 408.466 0.624 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 757868842 PVMJZWWMRKXJRN-UHFFFAOYSA-N 422.479 0.729 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 761109425 LIUBZKPFRARSKH-UHFFFAOYSA-N 424.385 0.769 30 20 HCED C#CCCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 762294141 LXIVQYNWQPBINU-UHFFFAOYSA-N 417.535 0.737 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCS(C)(=O)=O)c2=O)c1 763457759 GEQBRFCAZVWVJL-UHFFFAOYSA-N 421.544 0.411 30 20 HCED N#Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 767194224 BFCJCAACAVRSKY-CYBMUJFWSA-N 414.465 0.105 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F 767628471 RLWOHEIFQXURAR-ZJUUUORDSA-N 407.370 0.835 30 20 HCED C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@@H]1CCCO1 773299938 WGCMMEHADCTAIT-MSOLQXFVSA-N 420.535 0.603 30 20 HCED CCn1c(=O)n(CN2CCSC[C@@H]2C#N)c2cc(S(=O)(=O)N(C)C)ccc21 774642677 JVXWBDRVQUYLBD-ZDUSSCGKSA-N 409.537 0.972 30 20 HCED N#Cc1cc(O)cc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 776280473 QUNZRIQMXKXNTI-UHFFFAOYSA-N 403.416 0.427 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 777252137 NUVYPBRWDPFSLJ-YHUYYLMFSA-N 412.487 0.865 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@@H]2CCOC2)cc1 785150998 LDYWUMJHGCOQKY-CHOFAJOMSA-N 422.507 0.981 30 20 HCED Cn1cc(/C=C\C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 787060685 TWHMAIJOFJZNSJ-GTBONMDNSA-N 411.374 0.031 30 20 HCED CN1CCN(c2cc(CNC(=O)C(=O)NCc3cc(C#N)ccc3F)ccn2)CC1 787197054 JFVXRWJMUCYFKN-UHFFFAOYSA-N 410.453 0.777 30 20 HCED C[C@H](C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)S(=O)(=O)C1CCOCC1 796993151 RJFLLYNHAXJZEX-SNVBAGLBSA-N 420.896 0.999 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)n1cnc(C#N)n1 798839701 DPFZNMVLKGOIHT-QMMMGPOBSA-N 409.225 0.850 30 20 HCED COCCN1C(=O)/C(=C(/Nc2ccccc2C#N)[C@H](F)C(=O)OC)C(=O)NC1=S 799135268 BDUWYKVEABXQGM-REQDGWNSSA-N 420.422 0.625 30 20 HCED CN(C)Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Cl 799254896 JRSMGXOFATUFPN-WUKNDPDISA-N 419.869 0.983 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3CCN(C4CC4)CC3)CC2)o1 801874410 PTHJWEVAIFCQEG-UHFFFAOYSA-N 401.467 0.921 30 20 HCED C[C@H](C#N)OCCNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 802741742 WSGCOVAYADZOMU-MRXNPFEDSA-N 424.523 0.885 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 804012906 FMJDIPCLERKPJL-MRXNPFEDSA-N 414.466 0.385 30 20 HCED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 804820041 YEXOLGGTEUDRED-UHFFFAOYSA-N 405.263 0.804 30 20 HCED N#CCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 806162884 IDXHQBWABKVVDN-UHFFFAOYSA-N 406.468 0.699 30 20 HCED COc1cccc([C@]2(C)NC(=O)N(NS(=O)(=O)c3ccc(C#N)nc3)C2=O)c1 808331147 UJKKHBWCEFCKOR-KRWDZBQOSA-N 401.404 0.622 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1C#N 809504455 WLTKGJMZFHRXTD-UHFFFAOYSA-N 407.430 0.563 30 20 HCED CON(C)C(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 813028376 PWSCUPUBXHIHRP-UHFFFAOYSA-N 411.422 0.336 30 20 HCED C[C@@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 815266625 QEDOHCNGAPQNFU-PWSUYJOCSA-N 414.871 0.997 30 20 HCED C[C@H](CC(=O)NCCCc1nnc(S)n1C)/N=C1/NS(=O)(=O)c2ccccc21 818193397 IODMOVNKAMGAQN-LLVKDONJSA-N 422.536 0.670 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CC[C@@H]2NC(=O)NC2=O)n1 917075825 PFFQCBANSQTAQJ-VIFPVBQESA-N 407.481 0.727 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2C(=O)CN(C)C2=O)n1 917076110 YEBRTJOOMRRSGK-UHFFFAOYSA-N 407.481 0.633 30 20 HCED COCC(=O)NC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 917183286 FQIXTZREEBAQKR-UHFFFAOYSA-N 422.507 0.259 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)CN1CCS(=O)(=O)CC1 919141817 IBCJRKKEERPONZ-CQSZACIVSA-N 400.522 0.925 30 20 HCED Cn1nccc1[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1140896748 YZJNZOSIKQBUKG-PBHICJAKSA-N 403.464 0.607 30 20 HCED 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418.538 0.976 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667823 XNOIVZOCNQMFPR-GHMZBOCLSA-N 406.464 0.448 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)[C@H](O)N3CCOCC3)CC2)CC1 1826682435 SNBAQMSNEGJRIQ-HKUYNNGSSA-N 404.511 0.560 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826817476 DAHURGLKBLEIBF-SZMVWBNQSA-N 408.543 0.790 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]n1)CCN2C(=O)OCc1ccccc1 1829037155 UKFJGNMAJJINEK-NRFANRHFSA-N 422.445 0.504 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1829776515 CLRNIFLBOLAVAS-NRFANRHFSA-N 423.510 0.887 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830464802 TVCCSOSFTDZIJC-NQIIRXRSSA-N 420.893 0.919 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2CCCCC2=O)CC1 1831673314 FOMVXNSSEUAEOJ-QGZVFWFLSA-N 403.479 0.707 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)c1 1833222812 UKKPXJWUKLTWLJ-OAHLLOKOSA-N 414.506 0.810 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)COC)C3)C2)c(O)n1 1833698416 HHNKMEVGQIAGIZ-OAQYLSRUSA-N 419.478 0.622 30 20 HCED COC(=O)c1ccc(C(=O)N2CCC(N3CCC(NC(=O)CC#N)CC3)CC2)cn1 1834398321 CXDOCNSIDVEGCD-UHFFFAOYSA-N 413.478 0.967 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834605976 FPPMRJDTRRHVFS-YWZLYKJASA-N 421.450 0.511 30 20 HCED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835096262 XNBNSMMGVUVQHZ-HSZRJFAPSA-N 412.486 0.921 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835128992 VNPLXEHBIPWXJX-UGKGYDQZSA-N 423.554 0.910 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c5nccc-5c4)C3)C2)CC1 1835342251 OVYFZUVNXIILRR-NRFANRHFSA-N 409.446 0.888 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835998956 FKAYPAOMDDXPJV-DYESRHJHSA-N 403.479 0.517 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1836370409 LJFMZCYCRATVAP-IBGZPJMESA-N 402.838 0.691 30 20 HCED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1836823614 BRUQLUCQVYZZBF-UHFFFAOYSA-N 414.462 0.913 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836966462 AGNNSJZSFUGJNE-HXUWFJFHSA-N 417.466 0.285 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1837396488 IDKHLNBPCNLNDI-FOIQADDNSA-N 406.483 0.361 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(C)=O)C2)C1 1837402974 MOVMCTGXTFAPBM-LDBYXDLTSA-N 410.511 0.631 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1837531017 AZYGHNPENQUXFD-FHHJFJGDSA-N 413.446 0.330 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1837563671 TULYJBDBJDWION-KXYPXVJBSA-N 411.405 0.810 30 20 HCED CCOCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837567355 GGSBYGAOSNDOSD-BCVDLATCSA-N 407.467 0.582 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1837799236 XNFGFUXSJSKLFL-GOSISDBHSA-N 405.411 0.191 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(-c3ccncn3)noc1C)CCO2 1838492472 PJWIBIIBQJWMLY-FQEVSTJZSA-N 411.418 0.143 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1ccnc1 1838732961 GPKCDXVYFQSEBB-YWZLYKJASA-N 412.450 0.414 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccc(O)cc1 1839171409 UXNZCDUOTICRLA-QVKFZJNVSA-N 416.430 0.040 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)C1 1839173255 GSGRBYHWNKEXPT-NPPFBWRTSA-N 420.506 0.998 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1839843531 GSYYKCKQBQGXAL-IERDGZPVSA-N 418.494 0.948 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839844797 VIPBSFHCGSMYKZ-NNMXDRDESA-N 422.570 0.291 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1839887000 TZSAEPYSQNSRRT-RDTXWAMCSA-N 417.453 0.569 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2)C(F)(F)F 1840064602 WPLLMAYEQOXESI-QGZVFWFLSA-N 415.368 0.976 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1840167355 LEBGAJTXBTUQSV-OAQYLSRUSA-N 402.495 0.613 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1840170952 FNPTYTHKGAHFEH-OAQYLSRUSA-N 408.495 0.836 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(NC(C)=O)n3)C2)C1 1840171826 BDRUEKXAWOCSJG-FQEVSTJZSA-N 402.451 0.686 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Cn2ccnc2)CCO3)C1 1840428751 VXKAYIMDRXFCHD-DYESRHJHSA-N 402.495 0.942 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C)cc3O)CCO2)C1 1840667322 ZZCZLHHZNDCKNF-VGOFRKELSA-N 416.474 0.809 30 20 HCED CCN1CCC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1840815667 AUXVEYRQVCVDGU-QFIPXVFZSA-N 418.538 0.869 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)C2 1841055268 NEWKQZBGEQPMSS-SREVYHEPSA-N 414.418 0.976 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CC(=O)N(Cc3cccs3)C2)C1 1841980522 WHDZXDCPHXUEMT-AWEZNQCLSA-N 415.471 0.388 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1843338258 CJKHOKPFUWFZGW-INIZCTEOSA-N 401.442 0.890 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1845187483 KCKQKFINLQROMQ-AWEZNQCLSA-N 415.512 0.027 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1845485804 RYPKJFAIFDZDQV-GOSISDBHSA-N 402.426 0.165 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CCC(N)=O)C3)c(Cl)c1 1845487687 AOEKMBNTLJEKJT-HNNXBMFYSA-N 403.870 0.621 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1846381457 RFPZBILTSSEEBG-IBGZPJMESA-N 406.479 0.504 30 20 HCED CC(C)CS(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 47937705 AYSCYWVISUFVDH-UHFFFAOYSA-N 413.521 0.462 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 64765535 LYTPUHKGFOYWFI-UHFFFAOYSA-N 416.459 0.741 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 409564350 YROICLDDIMWICW-ROUUACIJSA-N 401.577 0.584 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 437389756 DAYBIAYKPKJSOZ-CQSZACIVSA-N 408.480 0.654 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]1[C@H](O)C(F)(F)F 440098389 FRPOKSVHVUQMGX-OCCSQVGLSA-N 422.367 1.300 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)c(Cl)c1 443942518 QMKITBNGSQTXSR-UHFFFAOYSA-N 418.928 0.309 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(SC)cc2OC)CC1 446671179 HCIHABYBXCVATM-UHFFFAOYSA-N 406.508 0.802 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@]2(CCO[C@@H]2C)O1 448429190 AQYXDRKAPRGVFK-JZKQVHKSSA-N 410.434 0.872 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3c3ccccc3)C2)C1=O 464539582 VYWDEHYLQGOZKG-OWCLPIDISA-N 410.430 0.236 30 20 HCED CN(CC(=O)NCC1CCN(CC#N)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 464975913 XAIJFNOMMIXSAY-UHFFFAOYSA-N 409.468 0.567 30 20 HCED Cc1nnnn1-c1ccc(F)c(NC(=O)CN(CCC#N)CCN2CCOCC2)c1 472590369 MZCFLTRXKUNMQD-UHFFFAOYSA-N 416.461 0.596 30 20 HCED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 477679680 KGHILDIRLWPHSL-UHFFFAOYSA-N 424.465 0.730 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)COCC(=O)NCc3cccnc3)C2=O)cc1 490262956 UBJTWTDNAUBQHJ-IBGZPJMESA-N 421.457 0.503 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCS(=O)(=O)N3CCSCC3)cc2)c1N 500905517 SJXLKTFXLKOUIG-UHFFFAOYSA-N 420.520 0.435 30 20 HCED CCOC(=O)c1ccn(-c2ccccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)n1 508348083 ITWILBFDRKEDBZ-UHFFFAOYSA-N 422.405 0.267 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 511437032 MGGZQLCVHANFOB-LLVKDONJSA-N 402.454 0.559 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CC(N)=O)c1ccccc1 512245689 WIAFAJRZNUEUOU-CXAGYDPISA-N 400.460 0.958 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c1 513110662 RMVLPICTFMWRDV-ZDUSSCGKSA-N 401.510 0.162 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 513580374 NJQANQUPKLHKKY-UHFFFAOYSA-N 413.521 0.681 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)s1 518713674 BHRGYQWQBNNDDT-UHFFFAOYSA-N 413.528 0.988 30 20 HCED CC#CCN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 520876514 HRSKWPSHXRUOAZ-HNNXBMFYSA-N 420.940 0.903 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)CC1 521638056 XMPUVPASJIUYHW-IBGZPJMESA-N 404.536 0.711 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)Nc2ccccc2OC)C1=O 523002919 XGYFFSRHDFWBLT-UHFFFAOYSA-N 402.407 0.459 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3ncccc3C#N)CC2)c(O)nc1=O 532758266 BYGFDHGHZOAKOY-UHFFFAOYSA-N 411.466 0.459 30 20 HCED C=CCCOCCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 534570801 XSSLMKIQCZBUPJ-UHFFFAOYSA-N 403.439 0.894 30 20 HCED COc1ccnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)c1 539239901 RCGCEVOPTDHSBR-IBGZPJMESA-N 400.527 0.905 30 20 HCED COc1ccc(CCNS(=O)(=O)c2ccc(C#N)cc2F)cc1S(N)(=O)=O 539858816 PHKSDQHXAPKHBP-UHFFFAOYSA-N 413.452 0.874 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CCCCS2(=O)=O)n1 541356116 AQLYEWJLANPNRH-GFCCVEGCSA-N 419.438 0.905 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC1 551059935 NTPPLIDRNQQFQM-NRFANRHFSA-N 413.566 0.858 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1 553983779 PGHCODUQNWWJIQ-UHFFFAOYSA-N 400.479 0.290 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H](S(=O)(=O)NC(C)C)C3)CC2)o1 555281729 QFOBHJPFXWMSOS-OAHLLOKOSA-N 409.512 1.000 30 20 HCED Cn1ncc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1C(F)(F)F 560052852 NVXSVZHWXPQOLU-UHFFFAOYSA-N 407.356 0.993 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCOc4ccccc43)CC2)c1C#N 560926780 FCXVOLWGDPXUGT-MRXNPFEDSA-N 422.489 0.931 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(=O)Nc3ccccc3)CC2)c1C#N 562194054 SNZXLXKZTKBJPM-UHFFFAOYSA-N 423.477 0.394 30 20 HCED CNc1ccc(C#N)cc1NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 574471400 HVMCRUUHWWUOGT-UHFFFAOYSA-N 407.434 1.543 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 576265790 AAVBTJAVRXFEOK-NVXWUHKLSA-N 406.458 0.771 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN3CCCC[C@@H]23)CC1 585739555 RVPHCHQOVCSWNX-RDJZCZTQSA-N 412.494 0.815 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)CC1 588251662 ALVBTUQXOXAMAA-CQSZACIVSA-N 409.450 0.469 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 588291123 AMUDRDGGRVMDDK-TZMCWYRMSA-N 414.509 0.918 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)C1=O 612861302 CYJBEHBOVMKMNL-AWEZNQCLSA-N 411.480 0.312 30 20 HCED CS(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 727937087 RXUVNENAAAXPRS-UHFFFAOYSA-N 408.459 0.742 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N(C)CCC#N 728923032 IZUXOOSSMIQRMT-AWEZNQCLSA-N 409.464 0.625 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 729256714 FDBYYEXUSLNGDZ-UHFFFAOYSA-N 411.422 0.073 30 20 HCED COc1cc(C=NNC(=S)NCC(N)=O)cc(I)c1O 731929747 KPMPMTXAVHBATC-UHFFFAOYSA-N 408.221 0.289 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 733557675 PDMWRMSECPVYIF-SNVBAGLBSA-N 410.408 0.816 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C3CCC(C)CC3)CC2)c1=O 734478388 MRFQQCCAKQHUAB-UHFFFAOYSA-N 403.527 0.698 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 740518208 CLZNSVQIONVKJQ-UHFFFAOYSA-N 413.521 0.757 30 20 HCED CC(=O)N[C@H]1Cc2ccccc2N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 749070850 ZTUDMSKOYQUKCF-HNNXBMFYSA-N 412.471 0.819 30 20 HCED Cc1ccc(C(=O)N(CCS(C)(=O)=O)C(C)C)cc1S(=O)(=O)NCC#N 753754708 FOMYNJFPRIAFNW-UHFFFAOYSA-N 401.510 0.692 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758077754 YJQKFYYHEAITAL-UHFFFAOYSA-N 421.526 0.566 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)CC1 761036137 DLRPJNKAFQVCJT-GBESFXJTSA-N 411.568 0.442 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)CCO2)c1 762010591 IYIRRZREPUQLAG-GOSISDBHSA-N 422.445 0.572 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767627445 NEKGUZOVYRGZPN-KBPBESRZSA-N 406.464 0.776 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)oc2C)c1=O 767953616 UPLNHJQEKWSQTA-UHFFFAOYSA-N 401.488 0.961 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C(N)=O)no1 769261948 VFLKSDQONSMTGU-CQSZACIVSA-N 419.463 0.543 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 770356134 PLOCCRZXCRMHDH-UHFFFAOYSA-N 410.500 0.059 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 776144253 YULLPILRHNDIBD-KRWDZBQOSA-N 410.427 0.588 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N(C)C(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 783478877 FSLPNJVJZDFWCF-INIZCTEOSA-N 421.475 0.867 30 20 HCED C[C@@H](OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)NC1(C#N)CCC1 787722733 RFNAQESCSKWSON-CYBMUJFWSA-N 408.455 0.560 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(C(=O)N2CCCC2)C1 803503021 HKNLBBNDFGQTIN-CQSZACIVSA-N 419.507 0.522 30 20 HCED CN1CCC(N2CCC(NC(=O)C(=O)NCc3cc(C#N)ccc3F)CC2)CC1 804008174 JNKFUMZERJNHES-UHFFFAOYSA-N 401.486 0.988 30 20 HCED CNC(=O)OC[C@@H]1CCCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 805828685 OQRGGVRLAASUFL-HNNXBMFYSA-N 404.471 0.714 30 20 HCED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2ccc(C#N)nc2)CC1 808062536 QSJOKHQGFBJQQS-UHFFFAOYSA-N 421.504 0.331 30 20 HCED N#CC1(OCCOC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CCOCC1 809084907 XTZBCIJQQWOUCD-UHFFFAOYSA-N 414.436 0.547 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OCC)CC1)[C@H]1CCCO1 809306955 XDUMNHZUDDRXJI-PKOBYXMFSA-N 413.474 0.667 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@H]1CCCO1 809310534 JRBXFNLCQMRQNR-QZTJIDSGSA-N 422.503 0.614 30 20 HCED Cn1c(S)nnc1C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810353742 AZUPYOIYHSTUOT-UHFFFAOYSA-N 420.520 0.660 30 20 HCED C[C@@H]1CN=C(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)S1 810440642 YEQDQPBJGJTZCN-CYBMUJFWSA-N 407.521 0.472 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)CN(C)C 815684417 NMXLOMMQVIUUJY-CHOFAJOMSA-N 423.539 0.752 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 817155060 SKYMJQYHOWKAPY-OAHLLOKOSA-N 418.519 0.023 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 831453436 HAFVTPWBPPYWGK-VIFPVBQESA-N 403.800 0.208 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 831543641 KPHSTIYCNAGNRX-AWEZNQCLSA-N 405.476 0.967 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 854123753 VWZJKQFUJGKCGR-SNVBAGLBSA-N 408.354 0.545 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@]34CCC(=O)N3CCS4)CC2)o1 915379509 ASKHESAIJXYMOE-SFHVURJKSA-N 419.463 0.112 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)CCO3)c1=O 917770033 DUOFYNZKONHVDS-UHFFFAOYSA-N 413.499 0.519 30 20 HCED CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918288365 FPYSJWGSHFZESY-CAPFRKAQSA-N 407.496 0.212 30 20 HCED COc1ccc(NC(=S)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1OC 920364036 MZSSUOVZNBEMJN-UHFFFAOYSA-N 417.451 0.710 30 20 HCED C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 981365262 LYTRHEASOOJVAX-RNGZQALNSA-N 403.483 0.530 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCOC2=O)CC1 1148767915 OASLNPPXGQMIOZ-ZDUSSCGKSA-N 406.464 0.668 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@](C)(NC(=O)C(F)(F)F)C2)CC1 1197168045 OVRJLUOVLXMJQI-PBHICJAKSA-N 403.449 0.822 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1254792202 ABPPHZZSIMDRJE-RDJZCZTQSA-N 414.462 0.731 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](OC)C1 1315072163 MOWAHSMSXPOEHH-MRXNPFEDSA-N 420.495 0.503 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1316348817 PBYSSOOCRMFWJY-UHFFFAOYSA-N 416.507 0.953 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1316532649 SCSOTFXRTGTTAG-ROUUACIJSA-N 420.470 0.255 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCN(CC#N)C3)CC2)cn1C 1319352960 PFLVHHIPUHSHIF-MRXNPFEDSA-N 422.555 0.481 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2(O)CCOCC2)cn1 1323518883 JGXURJORPNOYOK-CQSZACIVSA-N 409.512 0.902 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)COc3ccccc32)c1 1338090535 XDKQDEOSSMLOTL-UHFFFAOYSA-N 413.455 0.754 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNC(=O)C(C)C 1360240527 JSPVDKALSYWRJA-MRXNPFEDSA-N 416.530 0.365 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCn1cncn1 1499330630 XKERZYAXGVOMRP-QGZVFWFLSA-N 421.465 0.735 30 20 HCED CS(=O)(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1505122158 YYDBAVSDAIGBME-CQSZACIVSA-N 422.511 0.097 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1505131035 QYMQLHKKNCMPRO-INIZCTEOSA-N 416.507 0.953 30 20 HCED CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CCO1 1514138233 JHIYDMHUAQSWDR-MRXNPFEDSA-N 404.496 0.981 30 20 HCED COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1555409614 WYZLWOGBYYXPPL-KGLIPLIRSA-N 414.532 0.680 30 20 HCED CC(C)N1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1608060245 QSCDELUUQMWKQT-QGZVFWFLSA-N 414.514 0.643 30 20 HCED CS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1620165551 STDWRKBZTXSUEQ-UHFFFAOYSA-N 401.496 0.793 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1741803528 QVNAODKYHMQDJC-CVEARBPZSA-N 424.571 0.765 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778739315 HTWJUOZABFNUCB-ZJHLSYPMSA-N 422.445 0.885 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778742118 PMJVIRYFXBIVCP-MGPUTAFESA-N 414.466 0.974 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1778790983 CEYRCZBINRMHDK-MHVQWJQTSA-N 421.494 0.262 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CSc3ncccn3)CCO2)C1 1778969680 PSEDIELWTCUARI-QRWLVFNGSA-N 420.535 0.972 30 20 HCED COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1779557712 RUGVLWPNXROKAI-NRFANRHFSA-N 415.494 0.816 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780157454 ISDOOMZGHRPKHF-VLIAUNLRSA-N 422.503 0.598 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1781267162 LSQNJJCSSNAKJR-FQEVSTJZSA-N 403.435 0.740 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCc3ccc(O)nn3)C2)CC1 1781467096 SDENVKJLAWACLN-IIBYNOLFSA-N 413.478 0.932 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781601064 HSXDHRPXIBQMLU-RMUOZIPVSA-N 417.437 0.833 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)C2 1781799244 INTRWFQNFHTRIJ-PMUMKWKESA-N 416.469 0.305 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CCS(C)(=O)=O)CCO3)C2)c1 1782060840 KYDNFJJWCWGVHG-HXUWFJFHSA-N 419.503 0.745 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1782186828 LBVNIYYGTVVRFK-VEVIJQCQSA-N 410.496 0.393 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782581382 GAQYFACPHLTGRQ-UTKZUKDTSA-N 413.478 0.975 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)CSCC(=O)OC)CCO2)C1 1783188689 ARHOLFVGFJAAQB-MRXNPFEDSA-N 406.451 0.934 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783628626 SHNSBAWQWVGNCL-QUSNUVHPSA-N 407.511 0.065 30 20 HCED CC#C[C@@H](CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2)c1ccc(O)cc1 1784015567 YYQHYGJIMKNXFO-LQBOVUBWSA-N 414.506 0.005 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784304994 DPXFHGAYGLWOMT-DPZZJQGRSA-N 400.483 0.535 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CCC(CO)CC3)C[C@@H]21 1784477705 KKPXHGSWCBOLHH-FSFBDPGSSA-N 406.523 0.803 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)OC(=O)OCC)C[C@@H]21 1784483413 XOIPZZZGPLLRDO-NRKLIOEPSA-N 410.467 0.566 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc(C)n(C)n3)C[C@@H]21 1784500761 ZFPPGDQGKZFWCS-CAMMJAKZSA-N 404.511 0.842 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1cccn1 1784518448 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C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1C1CC1)CCO2 1830488270 HMEPPSQSEQYMQD-STZQQKCDSA-N 417.506 0.347 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@@H](C)CC)C2)C1 1831404541 PZEKXUDUXCSLFR-HFSMHLIXSA-N 412.527 0.833 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831483843 PQSVXRQBOSNUHP-HKUYNNGSSA-N 408.524 0.430 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1832431405 SNSXBHDTRRALRT-LJQANCHMSA-N 405.382 0.366 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832657905 PTTOTKCHSZKAKP-OAQYLSRUSA-N 420.462 0.902 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)n(C)n1)CCO2 1833410900 VAEXVEVPKUDSEW-HXUWFJFHSA-N 404.467 0.389 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CCN3CCOCC3)CC2)CC1 1834638029 RJPZMDIJHPGOGO-UHFFFAOYSA-N 404.555 0.694 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835449561 JGMUDKDCIOUEMJ-JOCHJYFZSA-N 421.538 0.359 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835525782 PZEJNKRZWCPACI-SQBHOSFOSA-N 421.519 0.538 30 20 HCED COCC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767897 YQFICYVXDOMADE-DOAWATSRSA-N 410.515 0.733 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 1836608129 HDKKQJUYSWKIKR-LZJOCLMNSA-N 424.494 0.520 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1 1837305657 FVTINUXXRUWAEQ-RXVVDRJESA-N 410.511 0.874 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)n3)CCO2)C1 1837926858 YHKMMSFMGBKYMI-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED Cc1nc(F)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1838264220 XDALZQNTUHPKKX-FQEVSTJZSA-N 402.426 0.903 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)c1 1838580997 ZJQWNSGBHKQWSA-NRFANRHFSA-N 416.478 0.198 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-c3cnccn3)c1)CCO2 1838593533 ZLIXLCACEDNNSB-QFIPXVFZSA-N 406.442 0.847 30 20 HCED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)CCCN1 1839121864 HDPPPQUKQWEHAU-UXHICEINSA-N 401.467 0.098 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccc4[nH]3)CCO2)C1 1839493883 VPTZXJYZYMIOPT-YJYMSZOUSA-N 404.492 0.951 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839517366 YUGPAHHJMZITEG-IBGZPJMESA-N 403.439 0.039 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1)C(F)(F)F 1839891950 ISVRGOGXMLZTMX-INIZCTEOSA-N 402.373 0.609 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2 1840181479 BCMAQCCIAANFHC-LEWJYISDSA-N 424.494 0.252 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(Cl)nc4)C3)C2)CCC1 1840811848 YMRXXESERDXOMI-LJQANCHMSA-N 419.869 0.894 30 20 HCED C=C(C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1)C(F)(F)F 1843838576 PZQZAMIRJIWQEZ-UHFFFAOYSA-N 423.457 0.980 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CCN1C(=O)C=CC1=O)C2 1845187618 YURMSBANJJGBHK-UHFFFAOYSA-N 403.435 0.014 30 20 HCED CCCn1c(N)c(N(CCOC)C(=O)COc2ccc(C#N)cc2)c(=O)[nH]c1=O 6375948 XPVCMWSVAZODLY-UHFFFAOYSA-N 401.423 0.459 30 20 HCED CCN(CCC#N)S(=O)(=O)N(C)CCCN(C)S(=O)(=O)N(CC)CCC#N 409512046 HOTCBCXTOHWPAI-UHFFFAOYSA-N 422.577 0.201 30 20 HCED C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 409537706 RIALASOCKQUSPH-KBPBESRZSA-N 421.479 0.151 30 20 HCED CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409564953 GAVUIBUTKUPGHW-INIZCTEOSA-N 416.525 0.073 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3S(=O)(=O)c3cccnc3C#N)no2)cn1 428375101 OTAYMLAMPTWAIP-ZDUSSCGKSA-N 401.408 0.499 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 428931003 NWIJEPRMABYRSO-IBGZPJMESA-N 420.429 0.446 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 431305083 LSIFZIKYCUTVAT-UHFFFAOYSA-N 405.473 0.370 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1C#N 441655044 WISJZENVPHSYGJ-UHFFFAOYSA-N 404.434 0.831 30 20 HCED CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 444651322 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N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)cc1 475440755 BWOGJMSEYIHFNA-QGZVFWFLSA-N 412.471 0.899 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCC)n2)c1=O 477437913 HVXUUQWXEZUUKN-UHFFFAOYSA-N 414.487 0.155 30 20 HCED N#Cc1ccc(OCc2ccc(C(=O)N3CCN(CCS(N)(=O)=O)CC3)o2)cc1 479906688 ZCBJIZUWJKMPGT-UHFFFAOYSA-N 418.475 0.777 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCN(c2sccc2C#N)C1=O 484667970 KCLMCJFKOIXLLY-KGLIPLIRSA-N 410.521 0.350 30 20 HCED CN(C(=O)C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 497760918 DBQANHYEKSYUAN-LLVKDONJSA-N 400.254 0.905 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 497930914 XCFJSMWXYMPBIT-UHFFFAOYSA-N 416.526 0.349 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)c(C(F)(F)F)nn2C)CC1 499001643 NQNOMGHKJQDTAQ-UHFFFAOYSA-N 416.404 0.132 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H](CNS(N)(=O)=O)C1 500314229 KHJGEBGNNDAAPV-JKSUJKDBSA-N 423.539 0.835 30 20 HCED COCC[C@@H](CCCC(=O)N1CCN(CC#N)CC1)C(=O)N1CCN(CC#N)CC1 503662030 FAAWZMISYKWYPF-LJQANCHMSA-N 418.542 0.145 30 20 HCED Cc1nc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc1SCC#N 504691541 IEDQYFXDFKRLBW-UHFFFAOYSA-N 405.465 0.453 30 20 HCED CCNC(=O)CN(CC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 506104916 WELSMPLQPIXLSN-UHFFFAOYSA-N 414.466 0.913 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 508119344 LMOSLXCOJPUXTR-IAGOWNOFSA-N 404.492 0.289 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 508460597 ZMRSJAKXKKHYIT-MSOLQXFVSA-N 421.461 0.892 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 508537166 ONQXILSXZIBJTI-UHFFFAOYSA-N 417.495 0.336 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 509430214 LABWEQBZUZAHFZ-AWEZNQCLSA-N 403.512 0.808 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513549115 YSLCUZLFDVAJCA-UHFFFAOYSA-N 414.397 0.137 30 20 HCED C=CCN(C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)[C@H]1CCS(=O)(=O)C1 519443855 IUQHCICKKRTGDM-HNNXBMFYSA-N 415.471 0.825 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)COc2ccccc2C#N)c1 520544438 CXFTYTHOKZSRGP-UHFFFAOYSA-N 402.432 0.600 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)COc2ccccc2C#N)c1 521572202 PPWBSMFWMLYNES-CYBMUJFWSA-N 416.459 0.989 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCS(=O)(=O)NCC2CCC2)cc1 521888331 NSAMCRORZGMLNL-UHFFFAOYSA-N 413.521 0.309 30 20 HCED N#Cc1ccc([C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(N)=O)cc1 523735334 GXCGZDWGHMOTSB-IBGZPJMESA-N 414.487 0.895 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C 525904870 ULFORVAVCXNFPV-INIZCTEOSA-N 403.483 0.714 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cn1 527339195 YICYDWMQTDSXAD-UHFFFAOYSA-N 401.427 0.313 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C#N)c1C 533215849 AFVXRXMPIWVEOZ-AWEZNQCLSA-N 417.466 0.098 30 20 HCED CNCCCc1[nH]nc(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1C#N 534057062 WSJUHVMUZPFTGZ-UHFFFAOYSA-N 421.461 0.444 30 20 HCED CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCN(CC#N)CC1 534882406 DESYIDSEVHBKBB-UHFFFAOYSA-N 402.498 0.287 30 20 HCED CC(C)CS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 539649065 DBXVOTAMGRCDEJ-UHFFFAOYSA-N 424.527 0.841 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(N)(=O)=O)cc1 540632154 FAAZHUGMFMNMNO-LBPRGKRZSA-N 401.452 0.738 30 20 HCED COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1O 548697850 LEKOXNDQIXQSNG-UHFFFAOYSA-N 407.408 0.411 30 20 HCED Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 551190161 YXZGPIDDWOQCQM-KRWDZBQOSA-N 409.450 0.826 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 557769852 TZFQLJOLMBSUMA-QGZVFWFLSA-N 414.572 0.464 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)OCO4)CC2)c1C#N 559309787 GMFLJUIPKLOQDG-UHFFFAOYSA-N 410.434 0.294 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)C2 559588797 HXBZQAGVIFFVHE-PMACEKPBSA-N 418.501 0.995 30 20 HCED COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)n1 565513489 BXHHCDMTPPPHBZ-LBPRGKRZSA-N 404.448 0.954 30 20 HCED Cn1cc([C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C(F)(F)F)cn1 575631881 CFPGKRFHRMVBEL-CQSZACIVSA-N 401.370 0.990 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 577094795 CCLXZQFRARGGPA-ROUUACIJSA-N 423.473 0.415 30 20 HCED C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 579630733 ZMPUIPTTXKTHLU-BEFAXECRSA-N 423.521 0.891 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CCOCc1ccc(C#N)cc1 581332373 JEXJGLQAKAJSNN-UHFFFAOYSA-N 403.526 0.618 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2)CC1 588236832 JZORYIOIJFMZIE-LJQANCHMSA-N 424.549 0.492 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 588946973 MVNGIVPYUXEYEW-OAHLLOKOSA-N 405.405 0.290 30 20 HCED N#Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 588958628 GGMUVYHZYGYHAJ-UHFFFAOYSA-N 402.432 0.992 30 20 HCED N#CCn1c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc2ccccc21 609164890 GZTRAMNRIXUUFI-UHFFFAOYSA-N 407.430 0.598 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CCO1 609282593 ALHVCPKUKJWDAO-MRXNPFEDSA-N 402.476 0.494 30 20 HCED C[C@@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609316064 VJEDZUMOBWEHTH-AEFFLSMTSA-N 420.535 0.626 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)NCC2 610700734 JQYYFIFXMOWBKM-CYBMUJFWSA-N 419.445 0.310 30 20 HCED N#CCN1CCC(NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 619677042 GHKJWYXESGHZTF-UHFFFAOYSA-N 401.286 0.814 30 20 HCED CC(=O)N1CCc2ccccc2[C@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910471 QBTHGJQQWUYVDX-ZWKOTPCHSA-N 417.487 0.488 30 20 HCED C#CCCN1CCC(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 743490928 AEKKOVNRRWHMDK-UHFFFAOYSA-N 421.299 0.496 30 20 HCED C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 745742080 FAJGBNJYBRNMDI-PXAZEXFGSA-N 411.418 0.501 30 20 HCED CN1/C(=C/C(=O)CN2CCN(CCS(N)(=O)=O)CC2)C(C)(C)c2ccccc21 746488380 RSHOPYPXQPFRMS-XMHGGMMESA-N 406.552 0.773 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1 749507654 COXSXPDXAFERGG-HNNXBMFYSA-N 406.508 0.296 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)nc1 749968513 PRUBXIPJCPWVHG-SFHVURJKSA-N 412.475 0.768 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 751669042 XPCPBEBUKDHQCR-MUGBGTHKSA-N 415.427 0.431 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[C@H](C#N)C1 754382424 AWVPFGXMQGXCKJ-BFUOFWGJSA-N 405.455 0.678 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 755548408 QPHUIRQHMXDGKV-YGRLFVJLSA-N 419.413 0.738 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758081922 AEXJPCMPLZZWQD-UHFFFAOYSA-N 416.484 0.788 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)C1 758638646 CASJGMMAIMUHQC-WFASDCNBSA-N 419.467 0.700 30 20 HCED O=C(O)CCCNS(=O)(=O)c1ccc(C(=O)/C=C/c2cn(CC(=O)O)nn2)cc1 759077390 XERUVXRAVXVFGX-VMPITWQZSA-N 422.419 0.402 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(C(=O)O)cc(F)c1F 761238574 BPTZWIMPKSPMTE-UHFFFAOYSA-N 403.407 0.900 30 20 HCED C#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 762299738 XMGSHZVHASNECO-UHFFFAOYSA-N 422.526 0.300 30 20 HCED CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 764878315 YNLARSQKJIVMGX-MBSJSRAVSA-N 413.521 0.752 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 767468808 UDEGOCFIAFKLJD-GJZGRUSLSA-N 414.528 0.513 30 20 HCED C[C@H]1CN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 767630565 NKRDWZWLRSPYFW-MJBXVCDLSA-N 409.464 0.404 30 20 HCED COc1cccc([C@H](C#N)NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OC 767884146 WEEQTMJFDBBNCD-AWEZNQCLSA-N 418.431 0.671 30 20 HCED N#CCn1c(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc2ccccc21 778113465 AZHKPLGHRGBCGQ-CYBMUJFWSA-N 418.431 0.335 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(Cl)c(C)c2)c1=O 779855950 XRGGWBQJSTYEPV-UHFFFAOYSA-N 415.902 0.771 30 20 HCED CCOC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 781376052 UBGZSYBRCODIME-CXAGYDPISA-N 423.491 0.590 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc2)CC1 784438472 FHRIXMJSWDNPAE-OAHLLOKOSA-N 401.467 0.681 30 20 HCED C[C@@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 801293119 RNTDSFSEZLWRPT-ARYPMIFLSA-N 409.446 0.153 30 20 HCED C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2F)C[C@H](C)O1 807366791 GTTCVVYAXQDVCZ-STQMWFEESA-N 415.429 0.657 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccnn2C)cc1 807470971 SILCZBOSQOHNEZ-QNGOZBTKSA-N 404.452 0.810 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c(F)c1 810423241 PQLPQUGNHVXBHX-UHFFFAOYSA-N 417.372 0.579 30 20 HCED CC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811643903 NHQUTYRZDQVZRF-UHFFFAOYSA-N 403.376 0.827 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2=O)cc1 812649366 YCKYGIITQJFFTF-INIZCTEOSA-N 412.427 0.704 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)o1 915388552 RNCSELBKITVKTR-AWEZNQCLSA-N 417.466 0.694 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 916874559 CAEMYQMYHCQFQI-INIZCTEOSA-N 423.491 0.491 30 20 HCED C#CCN1CCN(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 917423661 YCHJYCIYJCTWML-IBGZPJMESA-N 404.492 0.065 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCCN2C(=O)CNC2=O)c1 918616243 FZEGLTIERSVODV-RCCKNPSSSA-N 421.479 0.770 30 20 HCED C#CCOc1ncccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](OC)C1 944037711 GYHMRPZDRSYQFT-ZBDIRKKZSA-N 411.458 0.473 30 20 HCED CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NS(=O)(=O)CCCC#N 1116477050 ZRTDFQFGLPUFQO-GFCCVEGCSA-N 402.498 0.729 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)cn1 1224984489 ZRSMHEIRFZTYML-HNAYVOBHSA-N 419.507 0.521 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)CC1 1228784205 RFQPSJDIWYNISG-UHFFFAOYSA-N 408.480 0.925 30 20 HCED CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1292268541 UYYCDMDGYYSINZ-IUODEOHRSA-N 402.496 0.881 30 20 HCED CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1302172727 NQGGTFOKPIZSNV-HUUCEWRRSA-N 410.544 0.877 30 20 HCED COC(=O)[C@](C)(CO)NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1307825471 KLOPNLJEQHMKQN-QKKBWIMNSA-N 418.494 0.870 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(OCC)cc1 1317759146 LBQUEBTYOZYAHL-GFCCVEGCSA-N 413.452 0.307 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1320531926 MSPBLMJQNALRGW-UHFFFAOYSA-N 406.508 0.840 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccccc1Cn1cncn1 1323522436 QKSWNXXJRIUTNP-WUKNDPDISA-N 402.436 0.131 30 20 HCED COC(=O)CCN(CC(OC)OC)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1342635990 MEJKNNRGEPJOJN-OAHLLOKOSA-N 403.435 0.922 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)c(C#N)cn1CCOC 1476381782 ZRHUUPKISQLNIY-YPMHNXCESA-N 412.468 0.737 30 20 HCED CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509581011 ZNWKPVXEAVLURJ-KBPBESRZSA-N 411.532 0.436 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1555557562 UYFNSCSURCXPHS-LSDHHAIUSA-N 424.527 0.420 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1555809358 SILAVEGBEAIKAJ-GUYCJALGSA-N 420.474 0.459 30 20 HCED CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1617622995 LTTAEOODCRPLQZ-UHFFFAOYSA-N 424.509 0.115 30 20 HCED Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2=O)n1 1624912947 PNHFTCXHWZTRMD-UHFFFAOYSA-N 404.434 0.802 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1641848443 VGQNUYFZICUCQW-AWEZNQCLSA-N 408.480 0.962 30 20 HCED CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)n1 1650441899 IRRGNMGHOZFVGK-UHFFFAOYSA-N 412.475 0.916 30 20 HCED N#Cc1nc(NC(=O)NCC2(O)CCS(=O)(=O)CC2)ccc1Br 1672174942 SMEGTTIDYHLXLZ-UHFFFAOYSA-N 403.258 0.777 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1710268350 WMRKRODILAKBTM-GVDBMIGSSA-N 402.547 0.994 30 20 HCED CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H]1OC 1712682093 VYOILZNQMLZSBU-IYBDPMFKSA-N 420.495 0.216 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760364967 IIIKZSUOIYIMLZ-OAHLLOKOSA-N 423.949 0.912 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778157808 UBNSQLVGOLSTFR-QFIPXVFZSA-N 411.458 0.710 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778440563 HGXFTINXKSIVTE-OLEQZPESSA-N 424.461 0.031 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1778967249 CUGNRCZERCQBDJ-UWJYYQICSA-N 403.479 0.863 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1778974106 XAAMJTFAGYNOCZ-IIBYNOLFSA-N 413.478 0.746 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067869 PYRUJMUSQXGCGQ-QMPJNXRZSA-N 417.506 0.555 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1cccn1 1779105725 LRMZRELBIVIMKR-YJOAHCHKSA-N 419.482 0.803 30 20 HCED COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359291 FHCDQXIRCPWGBP-ORHXZUFZSA-N 424.542 0.635 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1780098493 ASKSQOVMBYMWGJ-HSZRJFAPSA-N 420.469 0.943 30 20 HCED C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780160821 VNLRBDNVDLUFHW-JOCHJYFZSA-N 414.458 0.693 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c(C#N)c1 1781176178 XFGNDOZRDHPCPS-QFIPXVFZSA-N 411.458 0.918 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1781267445 TXBLVYMOWQGCNM-IBGZPJMESA-N 406.439 0.518 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1781396362 LKLIKVPRSLUBPY-WBMJQRKESA-N 423.388 0.723 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1781396995 SVDMHIHZKOKWOY-JXXFODFXSA-N 418.498 0.908 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782792474 UHPUCIYFTLLBGD-TYJLCGHTSA-N 405.455 0.311 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1782917205 NZZLERADQVVSBN-QRWLVFNGSA-N 408.495 0.733 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)C(F)(F)F)C2 1783173175 NWDBBXFMCTZSRX-CXAGYDPISA-N 403.401 0.592 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1783461028 BCNABTVOPNQJNY-GQWLDOHISA-N 418.494 0.987 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783889644 RSEJVSVOEIPOBK-VEVIJQCQSA-N 417.528 0.020 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784640810 KBGZSVDTHTYXCL-OAQYLSRUSA-N 415.494 0.441 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C)[nH]3)[C@H]2C1 1784717027 DYJRAIWYDJQAIE-ZOBUZTSGSA-N 404.467 0.821 30 20 HCED N#CC1(C(=O)N2CC[C@]3(C2)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO3)CCC1 1785363965 TXNQQYFELHQRGD-HNNXBMFYSA-N 421.347 0.865 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(C)nc3)[C@H]2C1 1785834929 RXLRVBVJMBWDIB-LEUOFYLZSA-N 402.495 0.951 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)OCC)[C@H]2C1 1786375841 JNYQRPGZGXRHSG-XHQHVPHSSA-N 408.495 0.659 30 20 HCED CC(=O)N/C(C)=C/C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1790558946 VVIVDTPBZYXROO-QOIDBLPYSA-N 419.526 0.478 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1cc(C)cn1)C2 1792491341 NKWNSKQDZDCYSB-GATAPVRGSA-N 415.494 0.201 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)c1ccc(OC)cc1 1792714478 CMRJBCAMVBRCKZ-LFWUDYNKSA-N 418.490 0.909 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)n3ccnc3n1)C2 1793361778 SJTZTBVJFINDML-XLMAVXFVSA-N 413.478 0.832 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCC)cn1 1794337757 OACYTFYHZRDICF-ZXFNITATSA-N 404.467 0.670 30 20 HCED Cc1nscc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794517872 RGJHPQYTNZWCLI-MIFYACCESA-N 405.524 0.937 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2n(n1)CCNC2=O 1795350276 IMJGXWQJLWFIIR-XQLPTFJDSA-N 416.482 0.679 30 20 HCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](N)Cc2cccnc2)cc1 1796399530 VKHJMFKPDKNYPY-WOZUAGRISA-N 419.485 0.726 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cnc3snnc3c2)CCC1 1798506939 WCLSWYQNDKUQSS-AGGWBTHJSA-N 412.475 0.983 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1799393420 FLRAMEGXDSJFNV-BIYBGRMPSA-N 423.539 0.403 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3[nH]ncc3c1)C2 1799394512 JPLGSDDXGLMIDF-SJWGOKEGSA-N 414.466 0.962 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCSC 1801024473 NCVLPCBVILHHKI-KYHPRHEASA-N 400.541 0.673 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)CC1 1807021569 KTBRTWDUDQCXJG-ZBFHGGJFSA-N 421.394 0.116 30 20 HCED C=CCSCC(=O)N1CC[C@@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807112763 VBKZLKVBUVEMLC-QFBILLFUSA-N 416.551 0.847 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)Cn2nccn2)[C@H]1c1cccnc1 1808935494 UREHJNZTYBVDTG-IEBWSBKVSA-N 424.509 0.661 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC2(CCCN(C(=O)C[C@H](NC)C(=O)O)C2)CC1 1809834990 WLHMSVJCPIXGKP-INIZCTEOSA-N 423.510 0.790 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccnc3c2OCO3)[C@@H]1c1cccnc1 1811315220 IQOWACGEDLBARJ-KDOFPFPSSA-N 422.397 0.613 30 20 HCED Cc1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c(O)n1 1812878192 UIFVPKMAEHYPFA-BEFAXECRSA-N 408.414 0.898 30 20 HCED NC(=O)NCC(=O)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1814226605 SGXPLCLKTJHZMN-NGZPXXNWSA-N 412.450 0.468 30 20 HCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819778019 JVEUIRMYJIWGOI-XHYHKRIYSA-N 420.539 0.250 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])[nH]n1 1822201379 ZCHOBZORELOKJR-SNVBAGLBSA-N 401.339 0.435 30 20 HCED C#CCCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822583111 GDBOZDDQUNKYRV-GOSISDBHSA-N 419.526 0.882 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](N)CCC(N)=O)CC1 1824503149 AIAVHUVZZMKOGP-BPQIPLTHSA-N 408.543 0.790 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c(O)n1 1825669661 OQVJIUMZZXIDHN-JTQLQIEISA-N 400.416 0.866 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)COc1cccnn1)CC2 1825674716 NQYYNSFVSPTORX-SNVBAGLBSA-N 401.404 0.012 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)C1 1829668970 LUNVPUPWELUKQL-OAQYLSRUSA-N 411.462 0.994 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)C(=O)Nc2cccnc2)CC1 1831671329 LRVACOYLZRGJSX-KRWDZBQOSA-N 412.446 0.728 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1832938627 TUPTXTPEOYRZQM-QHCPKHFHSA-N 422.485 0.850 30 20 HCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3ncnn3C)CC2)CC1 1833489887 VOORLLUWENLJBM-MRXNPFEDSA-N 408.572 0.955 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)CC2)CC1 1834402427 MRJKWJXAIQMZFJ-QFBILLFUSA-N 415.538 0.873 30 20 HCED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1834411479 SHZXQXJPTVVGOL-HXUWFJFHSA-N 401.467 0.667 30 20 HCED CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1)C(=O)OC(C)(C)C 1835211385 XDYZRRXZZMUHSI-FQEVSTJZSA-N 424.498 0.613 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1835267917 UEFPSQFNQZWZEC-NRFANRHFSA-N 401.463 0.789 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(F)cn3)CC2)CC1 1837558073 HQWHYYNOTZRZEU-UHFFFAOYSA-N 403.410 0.921 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837952238 OYEOEVLSBNSGNS-IIBYNOLFSA-N 417.462 0.199 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838271440 HKMHNHZCOFYAOF-KKSFZXQISA-N 420.510 0.644 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1838739968 DBHRGTWMKWIZNQ-CJNGLKHVSA-N 418.581 0.881 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)cc1 1838950315 ITBLHPYDGLCFIY-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)cc3)CCO2)C1 1838965264 FGCSEFKLYMDFIS-HTAPYJJXSA-N 416.474 0.804 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1839175126 QHRXAQSEPUWSMN-FQEVSTJZSA-N 421.450 0.562 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3Cl)C2)C1 1840043304 QSMZUPQVFZFTJO-IBGZPJMESA-N 406.822 0.498 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840159888 PXMAWLLGJXNSHK-ORAYPTAESA-N 408.524 0.677 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840292717 GCOAJXIUOZOIDK-OAQYLSRUSA-N 401.463 0.584 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)CCC1 1840382257 SFYVDAYMKVLLKX-GOSISDBHSA-N 420.495 0.047 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1840841892 BDMCNMSENNEVHW-LJQANCHMSA-N 410.421 0.841 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842562860 WDDHYMUYXJUKLN-UHFFFAOYSA-N 401.467 0.426 30 20 HCED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1)c1ccccc1 1842945529 CNICYRCAQCWIKM-RBUKOAKNSA-N 410.518 0.980 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843718816 FEMVHTQXMUZWKE-FPQGOQEYSA-N 413.438 0.470 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C/N=C/c1ccco1 1847784062 FBBUWDQDUTUBNQ-YIMODRHRSA-N 410.496 0.228 30 20 HCED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 30359160 LCWPJAHYQKZZFR-UHFFFAOYSA-N 424.479 0.856 30 20 HCED CCCNC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 50995689 HPBHLNSVYIGODN-INIZCTEOSA-N 402.499 0.742 30 20 HCED C=CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 57237775 AFLLRBQODRBBGN-LBPRGKRZSA-N 413.477 0.988 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCc2nc(N)nc(N(C)C)n2)ccc1F 105951172 UEVODUABRYYMAU-UHFFFAOYSA-N 410.431 0.480 30 20 HCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 140450712 BZHNPQXEZVMHQQ-UHFFFAOYSA-N 404.430 0.939 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 409595134 FEDDEJBYGOVODG-UHFFFAOYSA-N 405.524 0.674 30 20 HCED COC(=O)C(C)(C)N1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 429537094 DDLYJVTVGMBWJW-UHFFFAOYSA-N 411.466 1.549 30 20 HCED Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 435001676 YUFNFRNSRDAVJL-INIZCTEOSA-N 404.471 0.285 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 437208610 LFVYIRTYCAFFTC-CQSZACIVSA-N 424.504 0.959 30 20 HCED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 439562477 SNHHBOLTZLOEJU-UHFFFAOYSA-N 416.869 1.126 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(-c3ccnn3C)ccc2C)CC1 440054747 UDMMFTWEZFGCAA-UHFFFAOYSA-N 424.505 0.780 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)n1 442433638 DEWJUJVLFYQDQK-OAHLLOKOSA-N 422.424 1.264 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 445645307 OUOGDOPKJJIJMF-HNNXBMFYSA-N 416.507 0.303 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC2(CCOCC2)O1 448320571 VQVOTTODOFGFSB-AWEZNQCLSA-N 410.434 0.874 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460574633 LAZKIBOGVBRKBA-UKRRQHHQSA-N 409.450 0.841 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC(=O)NC1CCCCC1 460615042 ZLLPYKWNSJQNHG-UHFFFAOYSA-N 409.450 0.951 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473395025 ZVOBCWGEFGKGPV-QGZVFWFLSA-N 404.492 0.589 30 20 HCED C=CCc1cc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc(OC)c1OC 476552954 VAROWOZBONKZSG-IRXDYDNUSA-N 424.519 0.348 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CC1 478867713 SMEYALXEYYFQET-UHFFFAOYSA-N 415.519 0.678 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cccc3c2OCCO3)c1=O 488998514 XEMGGFIINXIILG-HNNXBMFYSA-N 424.478 0.976 30 20 HCED C[C@H]1CN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 496829971 HQFOCSDXSGQRES-IYBDPMFKSA-N 408.524 0.794 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 497898530 MSNYWEYGOBINAB-UHFFFAOYSA-N 403.258 0.315 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 501468236 QJOCLJPWDVBLDW-UHFFFAOYSA-N 407.477 0.676 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)CC2)nc1 501613685 SGTBYMBUDMCRSR-IBGZPJMESA-N 410.522 0.983 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)cc1 501646365 LDQASMZKSLAHLF-OAHLLOKOSA-N 409.464 0.045 30 20 HCED COC(=O)[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C(=O)OC)C1 503885561 ONUXKASQZMFQRH-GWCFXTLKSA-N 402.375 0.952 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 509006587 YWLLEIIROGIPIV-UHFFFAOYSA-N 400.826 0.709 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 517996332 UTRLQJCBBFPGLU-IBGZPJMESA-N 411.506 0.576 30 20 HCED Cc1nn(CC(=O)NCc2cccc(C#N)c2)c(C)c1S(=O)(=O)N1CCOCC1 520153214 SYOVUJIFKMBFHA-UHFFFAOYSA-N 417.491 0.709 30 20 HCED CN1CCC(C#N)(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 521859230 MSNJVWVZBDDMAA-UHFFFAOYSA-N 421.342 0.893 30 20 HCED N#Cc1cccc(OCCCCC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 521963247 OICPHKRTMPMWRY-INIZCTEOSA-N 407.492 0.917 30 20 HCED COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 523054982 YZANCSOUMAELSM-UHFFFAOYSA-N 406.442 0.737 30 20 HCED COCCOc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 531946152 BSSJTALXLDQVSV-CQSZACIVSA-N 418.475 0.962 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 532193998 PPUCQYVKLWWONZ-UHFFFAOYSA-N 405.501 0.583 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCN(C(N)=O)CC2)CC1 539452027 KQMISHNVVQKOSN-SFHVURJKSA-N 402.474 0.621 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 539700487 DDRGHRZQGULJQR-UHFFFAOYSA-N 407.492 0.708 30 20 HCED CCOc1ncccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 550538008 YVBYEKLWJLNJKO-UHFFFAOYSA-N 411.466 0.359 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCn3cnc(C#N)n3)c2)C[C@H](C)O1 552673588 BVQDHRQQMAWRPU-KBPBESRZSA-N 418.479 0.378 30 20 HCED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 555589312 ZLCROLJFVFUKFH-WDSOQIARSA-N 409.490 0.865 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 557757521 YKYZHYSODYHYFV-UHFFFAOYSA-N 419.570 0.300 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 571949118 DERVRYDJUHHWKO-UHFFFAOYSA-N 415.542 0.175 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)n1 574966311 YDDYDZCFXMKLCA-UHFFFAOYSA-N 419.401 0.655 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 580369883 JEJPWXCNOGDRNC-QGZVFWFLSA-N 408.462 0.558 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 588780907 GFBNENCPIFMYOC-SFHVURJKSA-N 424.505 0.509 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608828467 VOVGQJRFJJFQGE-UHFFFAOYSA-N 422.441 0.386 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 610797195 JCTSIKUARYUATN-LBPRGKRZSA-N 422.488 0.772 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCCN(C)CC1 610807355 DNXILPWPYNKOAV-INIZCTEOSA-N 407.540 0.369 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 613159812 SAICBCZLYRAHLP-UHFFFAOYSA-N 418.483 0.403 30 20 HCED CC(=O)NCCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 726106848 VNECFIKYAXFLGU-VFOOBRQFSA-N 403.508 0.729 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)nc1 727342621 OZJVKGMNPJDHGQ-UHFFFAOYSA-N 412.475 0.536 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)Nc2ccccc2)cc1 729358020 DDSOFHSLCRRMBG-UHFFFAOYSA-N 416.415 0.728 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CN(C)CCN1C 732148278 XOCUHHZOBNKQLP-WBVHZDCISA-N 421.567 0.502 30 20 HCED CCN1C(=O)c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2S1(=O)=O 749385024 PPZZJCYDAHRWBL-UHFFFAOYSA-N 420.491 0.539 30 20 HCED CCN(CC)S(=O)(=O)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 751468128 DAMCSGSDXIXAPM-HNNXBMFYSA-N 411.553 0.929 30 20 HCED COC(=O)c1c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n[nH]c1C 751480706 VZIJXFAMZSIAKD-LLVKDONJSA-N 413.456 0.638 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758354774 QYYMSZGODOBNGI-DZGCQCFKSA-N 408.503 0.255 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(CC(=O)NC3CC3)CC2)C1 758779432 VNTDJESPROTOEN-GOEBONIOSA-N 420.514 0.351 30 20 HCED C#CCN1CCN(C(=O)CC[C@@H](CC(C)C)C(=O)N2CCN(CC#C)CC2)CC1 759218809 QWFRPYYHSSAYBA-NRFANRHFSA-N 400.567 0.984 30 20 HCED C[C@@H](CCS(C)(=O)=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 762200219 HDVYITQQVAJTSU-NWDGAFQWSA-N 401.510 0.443 30 20 HCED CN(CCCNC(=O)CON=C(N)c1ccc(Br)o1)S(C)(=O)=O 762771079 WWBYMYSOPHAKKM-UHFFFAOYSA-N 411.278 0.077 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 763402241 GEYDMZBBHQLREA-AWEZNQCLSA-N 411.422 0.733 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccn(C)c2)c1=O 763465303 HDALJUSBDMYVNH-UHFFFAOYSA-N 417.446 0.996 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(F)ccc2C(=O)N[C@@H](C)C(=O)OC)CC1 768384064 BSBRVKLDUZSVQZ-AWEZNQCLSA-N 404.442 0.306 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 770270313 UUVRGUQIVPTDJC-UHFFFAOYSA-N 409.233 0.955 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2nccs2)CC1 773510096 WTDNLYZCLXDOPY-UHFFFAOYSA-N 420.472 0.705 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nn1CCC#N 773858322 PPUXCEAUKPRWOR-CQSZACIVSA-N 420.470 0.796 30 20 HCED COc1ccc(-c2ccncc2)cc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 774540080 LHCOJCLKGFIARU-UHFFFAOYSA-N 417.450 0.492 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 775961699 RCLYGNTYIGVWFB-SFHVURJKSA-N 413.547 0.918 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCCC1 779315486 XDVQPVVWMYFBRY-UHFFFAOYSA-N 420.403 0.721 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(C(=O)OC)cn2)c1 779880075 WFABYXGZIAPPFN-UHFFFAOYSA-N 408.414 0.750 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(Cc3cccc(F)c3)no2)C1=O 783353761 CFJKCHOXEPGTTF-UHFFFAOYSA-N 402.338 0.820 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 784927911 AFRHDZAEGOFPSW-UHFFFAOYSA-N 407.474 0.564 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 787786910 FFUZLUJOOHQHHK-JKSUJKDBSA-N 413.434 0.425 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCCO3)c1=O 795196983 WHOCPCLVBHQPSS-UHFFFAOYSA-N 405.439 0.739 30 20 HCED C#CCN1CCN(C(=O)CCC[C@H](CCOC)C(=O)N2CCN(CC#C)CC2)CC1 800494496 WQYCJYOOKGODQE-OAQYLSRUSA-N 416.566 0.364 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)nc1 806420643 DMGZKJBIIVMFIL-KRWDZBQOSA-N 406.446 0.793 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCC(C(=O)OC)CC2)cc1 811831629 NYVOTEJDVCRTTG-UHFFFAOYSA-N 422.459 0.167 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(F)cc1 813042781 SWNJYBTWBWSTOK-KRWDZBQOSA-N 410.405 0.812 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC3=O)CC1 814383921 XSGBHOUPEDJOPS-UHFFFAOYSA-N 403.504 0.651 30 20 HCED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 815009345 GQQQVXKQQMDCGG-UHFFFAOYSA-N 410.452 0.049 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2S(N)(=O)=O)cc1 815786981 RQFRUELBMICYMJ-UHFFFAOYSA-N 401.444 0.943 30 20 HCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 917036903 RBNHHSXNQDZXJT-HNNXBMFYSA-N 421.413 0.280 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 918314542 ZRSMKDJAXHXKNH-UHFFFAOYSA-N 413.478 0.684 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)cc1 921304540 XMZLJMQEVMCHRG-UHFFFAOYSA-N 401.404 0.204 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CC[C@@H](O)C1 1150929684 XGONXNLXHROWEP-GDBMZVCRSA-N 408.524 0.323 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H](CO)CC[C@H]3CO)CC2)cc1 1163518771 VQCGGEVIAREZNJ-IRXDYDNUSA-N 407.492 0.303 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1286630138 QIVSRDRHUFDYTJ-ZIAGYGMSSA-N 419.935 0.836 30 20 HCED Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCNS(C)(=O)=O)o1 1289597875 DYJIDGIWCSIFKI-OAHLLOKOSA-N 419.511 0.572 30 20 HCED Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCS(C)(=O)=O)cn1 1298817873 MGUYVDXVANSYRL-MRXNPFEDSA-N 418.527 0.290 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1306248631 WKXQAWBYEHFCCN-MRXNPFEDSA-N 416.507 0.966 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CCc4ccncc4)CC3)CC2)o1 1308004297 JIOAUQZNIYWRPG-UHFFFAOYSA-N 423.521 0.759 30 20 HCED Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)N3CCO[C@@H](C#N)C3)CC(=O)N2C(C)(C)C)cn1 1309681223 YTHGOFWQRDGRCX-KMFMINBZSA-N 424.527 0.167 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1315000935 LUZAAUQCHFPCHZ-JOCHJYFZSA-N 423.521 0.846 30 20 HCED Cc1nn(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(=O)n1C 1452964607 YMIQOCYHRAHNSR-UHFFFAOYSA-N 406.450 0.501 30 20 HCED CC1(C)CNC(=O)[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1473762703 MYPHXKZMSXHLIB-MRXNPFEDSA-N 412.450 0.569 30 20 HCED CS(=O)(=O)CC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1505128049 UEBQXKGVLKATMX-SJCJKPOMSA-N 410.475 0.496 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 1556586509 WLDGNZXXOZKEQV-UHFFFAOYSA-N 404.448 0.373 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1609507929 XZHGPGYLIKGBDN-CYBMUJFWSA-N 412.516 0.358 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CC1)C[C@H](O)CCO2 1639080864 KWBBUBVJPMMVSV-GDBMZVCRSA-N 407.492 0.758 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)C[C@H](C)O1 1672180144 YPYPWHXSMHBIBJ-GJZGRUSLSA-N 422.511 0.651 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1687013033 YXWIDXQLMKDRON-QZTJIDSGSA-N 406.508 0.588 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1691005002 WGEWHWICXVFFID-PMPSAXMXSA-N 410.544 0.497 30 20 HCED 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0.742 30 20 HCED CN(CC(=O)N1CCN(C(=O)c2ccco2)CC1)S(=O)(=O)c1ccc(C#N)cc1 31685342 PSQHJAFVFPGJGE-UHFFFAOYSA-N 416.459 0.756 30 20 HCED CN(CC(F)(F)F)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 52077389 QVMCVSKMQZIAST-UHFFFAOYSA-N 404.414 0.885 30 20 HCED CC(C)N(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 62122449 XNJBYMCHXSKDCZ-UHFFFAOYSA-N 423.539 0.942 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 110440336 KPOFQLDMICETAP-INIZCTEOSA-N 421.523 0.196 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](C)CS(=O)(=O)c1ccc(C)cc1 409505910 ZUYYSVMVLYEFJW-OAHLLOKOSA-N 403.526 0.854 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CCO1 409542286 GGLRZEUNPBWVSC-ZWKOTPCHSA-N 404.492 0.505 30 20 HCED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 439331215 OGMKOVQCYODQCZ-OAHLLOKOSA-N 421.523 0.712 30 20 HCED COC(=O)Cn1cnc(NS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 443363770 DBPIEGNYHQBIMC-UHFFFAOYSA-N 400.214 0.886 30 20 HCED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 443393634 NSPQKVQAJXKSAV-QAPCUYQASA-N 415.494 1.449 30 20 HCED Cn1cc(-c2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)c(O)nc1=O 445435428 HKYWVMFXSBCVSN-UHFFFAOYSA-N 402.392 0.395 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)[nH]c1=NC(=O)C(=O)N1CCC[C@H](c2nccn2C)C1 447369054 RWKCJZHRTMPQJN-INIZCTEOSA-N 418.461 0.948 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 467723463 DQFKEICADNGZLC-MRXNPFEDSA-N 403.479 0.923 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 472742056 YMQRMGVIWOORGW-KRWDZBQOSA-N 400.460 0.439 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 475955356 HWVJKMSVKCLRLL-MOPGFXCFSA-N 410.474 0.945 30 20 HCED CC(=O)N[C@@H](C)C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 477674770 NQINLTSUWPXNCQ-AWEZNQCLSA-N 423.477 0.900 30 20 HCED N#C[C@]1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOC1 478661002 ZLRZYKVYNJNXGK-LJQANCHMSA-N 420.491 0.099 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1 479744107 KQASCQJNOUXXED-QGZVFWFLSA-N 412.450 0.488 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@H]1C(=O)NCC1CC1 481203202 DMZNQRWYQZNZSC-LRDDRELGSA-N 422.532 0.653 30 20 HCED COCCc1noc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 482802407 LNXODNZBKKDLSW-LBPRGKRZSA-N 407.452 0.456 30 20 HCED CCn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cn1 488242335 HLFAOXWZEQAYKS-ZPJKGSQLSA-N 420.583 0.701 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 498158031 XIIAGQJGUWKGBB-WCQYABFASA-N 405.498 0.160 30 20 HCED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 501913652 DRMXGDPEAZMTKW-ZDUSSCGKSA-N 419.488 0.770 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3c(F)cccc3C#N)CC2)C[C@H](C)O1 505361975 JKLPHBCNZPVQJO-GJZGRUSLSA-N 424.498 0.738 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C2CC2)c1=O 505690016 LAYANVLTHNKCGT-AWEZNQCLSA-N 413.503 0.085 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 508121844 SBVDQHXGMRJIBW-PKAMJGAUSA-N 409.446 0.938 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1)C(N)=O 508942375 NTXJAPBCJSTBFM-UHFFFAOYSA-N 411.462 0.066 30 20 HCED C=CCN1CC[C@H](N(C)c2nc(OC)nc(N(C)[C@H]3CCN(CC=C)C3=O)n2)C1=O 513060545 XPDXSMIJJVCHHA-GJZGRUSLSA-N 415.498 0.326 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC(=O)N(C)C1=O 513944087 JXZGOBGFAMLQEW-WFASDCNBSA-N 406.464 0.221 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCOC2)cc1 523065275 AJLATZAPEBEOGE-SJLPKXTDSA-N 401.463 0.953 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2ccccn2)c1=O 523181308 GZAUALYQYHKVEZ-UHFFFAOYSA-N 420.498 0.063 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 533242205 BEUMRVFHWKFFKV-UHFFFAOYSA-N 421.461 0.105 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 537453788 HMDKLGGIPIUWIL-UHFFFAOYSA-N 400.888 0.658 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC3(O)CCOCC3)n2)c(Cl)c1 548135482 CZVGEFQSSDDFNL-UHFFFAOYSA-N 403.826 0.994 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 549691947 BHPNFAQANHPBRH-CYBMUJFWSA-N 424.506 0.720 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCOc3ccccc3)CC2)c1C#N 550246682 GADYEHVPTFXUAM-UHFFFAOYSA-N 410.478 0.834 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)cc1 552674075 QYEWBKLJVOSBMR-UHFFFAOYSA-N 418.479 0.375 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C 553069430 ZHOLJMNUIFXNNX-YQQAZPJKSA-N 406.508 0.547 30 20 HCED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 555243649 CAVQQVFKAIZUAJ-ZWKOTPCHSA-N 418.542 0.727 30 20 HCED COCc1ncc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(N)n1 560628956 IPQUDNDNXOITLN-UHFFFAOYSA-N 404.452 0.327 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)CC1 561413735 QYAAJJSMGYTXSW-KDURUIRLSA-N 405.587 0.770 30 20 HCED Cc1nsc(N2CCN(CC(=O)c3c(O)nc(=O)n(C4CC4)c3N)CC2)c1C#N 571810707 NGHNSEHOJZWIEC-UHFFFAOYSA-N 415.479 0.508 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 581324484 FCBFQHITAHWLII-UHFFFAOYSA-N 403.888 0.396 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)C1=O 581904093 ZOYVVPSHAWUEMH-SJORKVTESA-N 404.511 0.529 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2cnccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 590013980 PIAXDRNKURSSIO-WMZOPIPTSA-N 419.551 0.889 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 590270065 NYDCZCBOIBQWNJ-UHFFFAOYSA-N 420.495 0.030 30 20 HCED Cn1ncc2c(N3CCN(S(=O)(=O)c4ccc(C#N)cc4F)CC3)ncnc21 610082014 SQLABMMVVMMGDE-UHFFFAOYSA-N 401.427 0.885 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 615632846 OEWGIKWLTAOPEQ-HXUWFJFHSA-N 417.441 0.151 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617092834 OHGDXEATWUYEEP-HNNXBMFYSA-N 423.429 0.837 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3cnccc3c2)c1=O 618638665 LUUBIDVSKWDZHV-UHFFFAOYSA-N 408.483 0.744 30 20 HCED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 619741708 WOESBMVRBVNVPZ-UHFFFAOYSA-N 401.496 0.931 30 20 HCED Cc1cn2ccnc(C(=O)NCC#CCNC(=O)c3nccn4cc(C)nc34)c2n1 683335707 OBIHWVZDRZQQOG-UHFFFAOYSA-N 402.418 0.552 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CCC)CC2)cc1 731125183 BTQIBAGROAUZRX-UHFFFAOYSA-N 407.492 0.958 30 20 HCED N#CCOc1ccc(CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 732068483 LMGKQZNHPYGIMG-UHFFFAOYSA-N 408.462 0.777 30 20 HCED NC(=O)[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1Cl 732467098 VMASJCOOIXJSMW-VDMFXUGISA-N 419.869 0.810 30 20 HCED COc1ccc(C)cc1-n1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)n1 732909415 BHRXMHVWDPFXMV-CQSZACIVSA-N 416.459 0.769 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 733149243 BBXBEQKUFZXOND-UHFFFAOYSA-N 402.407 0.263 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1 742634421 PUQAPGJSPIGABX-UHFFFAOYSA-N 403.870 0.377 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 743889021 JKIAQFBOBDHNBU-UHFFFAOYSA-N 416.453 0.543 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745443452 FFJMQVZDBGNAGM-WGSUBKMSSA-N 411.414 0.785 30 20 HCED CCCNC(=O)NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496578 NELUVZQFQFIKRN-NSHDSACASA-N 410.452 0.283 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cnc21 746911692 NUCSLULSQJZWRY-OAHLLOKOSA-N 405.370 0.868 30 20 HCED C#CCNC(=O)C1CCN([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 747820009 GXWBVTADUGBBSG-MRXNPFEDSA-N 400.479 0.414 30 20 HCED CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 747933138 ZABJIMOWPCBATD-UKRRQHHQSA-N 408.524 0.980 30 20 HCED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 750841465 FTVBHYOJVHZLHW-MRXNPFEDSA-N 421.567 0.600 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 761033164 SWHGEOCANVCJKX-HUUCEWRRSA-N 412.943 0.991 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(C)CC(F)(F)F 767625673 CUHCWBPTSHUGEG-JTQLQIEISA-N 407.370 0.789 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c1 771240441 INJYNQLIIBEURC-HNNXBMFYSA-N 419.445 0.812 30 20 HCED Cc1cc(-n2c(C)cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2C)no1 771890890 IUSNZPNVOMUMTQ-UHFFFAOYSA-N 420.451 0.100 30 20 HCED C[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CN1Cc1ccccc1 771897252 KNWPRXFSTWFNCC-ZDUSSCGKSA-N 405.480 0.013 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)[C@@H]1CCCO1 773058799 UYWSTUCAKGXRBC-KBPBESRZSA-N 402.494 0.916 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCCO1 775795667 PDVHRLBCGWSMNN-WOJBJXKFSA-N 419.547 0.907 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc1 778838933 XMQNWYLZMCVRKI-JPGOUWDJSA-N 422.507 0.714 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H](C)c2ncn(C)n2)C1=O 780323896 YJMLKVKBAOKCFG-HXDQEIOOSA-N 401.496 0.950 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 783345973 BIMXNCVQQZDSML-UHFFFAOYSA-N 414.871 0.525 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 783464760 VBPFWSPCEVGJNP-UHFFFAOYSA-N 413.397 0.814 30 20 HCED CC(C)C[C@@H]1C(=O)NCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 783743379 CWPMOJOJYJAAOR-OAHLLOKOSA-N 406.508 0.878 30 20 HCED CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCc1cc(C#N)ccc1F 786085094 UIZQRJPLPNXNHV-UHFFFAOYSA-N 418.450 0.880 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1N1CCNC1=O 787457860 ZHKHVFIIYYBBQE-UHFFFAOYSA-N 407.434 0.958 30 20 HCED Cn1nc([C@H]2CCCOC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 791087603 FFJVXWLTAGDGGC-LBPRGKRZSA-N 403.464 0.991 30 20 HCED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 799199757 GKBFGBPBUKCTSU-UHFFFAOYSA-N 402.476 0.181 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CC(N)=O 799940131 XITKYIUIBFZNOG-NSHDSACASA-N 417.462 0.661 30 20 HCED C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccc2c(c1)CC(=O)N2C 804570330 DRXJIVVYLABUPP-ZDUSSCGKSA-N 406.446 0.878 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NCCCOC 804946063 XRBRSIRQQOUOAJ-OAQYLSRUSA-N 415.446 0.847 30 20 HCED CC(C)(C)OC(=O)N1CC=C(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 805062348 CODJUPKAFIRDRL-UHFFFAOYSA-N 405.499 0.774 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn2n1 810385522 SHMQYBOYGAYGLY-JSGCOSHPSA-N 413.438 0.852 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccc(F)cc1 813037643 CNGCROWPDUBGHN-KRWDZBQOSA-N 410.405 0.731 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)[C@H]2CCCN(C(N)=O)C2)cc1OC 916923989 STXPLIWUSMGHMC-GJZGRUSLSA-N 402.451 0.862 30 20 HCED C=CCn1cnnc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1115815874 XVUKOEBSOKGFCC-KGLIPLIRSA-N 400.526 0.751 30 20 HCED C=CCOCCNCc1nnc2n1CC[C@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CC2 1128012148 JSAFTDWIRRYLPP-UWGWQUPMSA-N 401.511 0.815 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1286970758 XTGQONXDZKPHDC-HOTGVXAUSA-N 424.571 0.887 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301014030 VBWNTKCKBFVHBM-UHFFFAOYSA-N 423.949 0.913 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1301868333 UNRDJWLLBWSSOL-OWCLPIDISA-N 404.471 0.006 30 20 HCED CCS(=O)(=O)NCc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1319065625 JQQKICDOMLMPRM-VLGSPTGOSA-N 406.464 0.382 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccncc1 1360685285 UYGISQYZKPQHBQ-DYVFJYSZSA-N 407.475 0.968 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@@]1(O)CCCOC1 1470426949 LDKMQSAYQDVPLN-IFXJQAMLSA-N 409.508 0.909 30 20 HCED C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512518987 RPZMODBDRGYZAM-JZXOWHBKSA-N 414.514 0.907 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1539804045 QEARLRIBABKILO-CYBMUJFWSA-N 401.920 0.895 30 20 HCED Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1540762211 LRYCRDRIILSMAZ-IYBDPMFKSA-N 406.508 0.979 30 20 HCED 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0.870 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)CC(=O)NC)[C@H]1c1cccnc1 1803474025 DAKMFVQNYPTYDM-RXPVHBRLSA-N 413.478 0.082 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)[C@H](C)CS(C)(=O)=O)C2)CC1 1806040478 HXVQBHCNJXXNGW-SJORKVTESA-N 412.552 0.937 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2c2cccnc2)CC1 1808280605 VONFHTBZNCXMCF-DZGCQCFKSA-N 408.418 0.906 30 20 HCED O=C(NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1)[C@@H](O)N1CCOCC1 1810348643 NEKSJYHWEVSSDM-CZTZKLFOSA-N 412.490 0.151 30 20 HCED C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)cn2)[C@H]1c1cccnc1 1812525984 NZIVAJDKBSMNGS-BEFAXECRSA-N 412.471 0.833 30 20 HCED CN1CCC(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1812876040 YLHGFFRSXRJGDU-AVRDEDQJSA-N 412.490 0.907 30 20 HCED CC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1825166404 QZBRBUPBRMKCFG-HJMLNICGSA-N 423.495 0.720 30 20 HCED NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@@H]1CCCCO1)CC2 1825181703 VZLDAFORWWBTHV-PKKHRWBISA-N 423.495 0.850 30 20 HCED Cc1nc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c(=O)[nH]c1C 1825664037 OUOUTCPKHNNBHZ-JTQLQIEISA-N 415.431 0.157 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830055946 IVQSJZXCGMLVNX-HRAATJIYSA-N 415.494 0.888 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830063310 NWYTYWIOQJSOAO-LAUBAEHRSA-N 406.527 0.865 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1831216295 JPUQEJPZXKQPAY-NRFANRHFSA-N 409.446 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1831396394 LJKJLUDBFRRELH-IFXJQAMLSA-N 422.869 0.238 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1831406000 OZYLSBVSZCOXMM-GOSISDBHSA-N 410.496 0.591 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1831419039 KGODQWQBSYFOSO-LIRRHRJNSA-N 424.885 0.791 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1831425685 WBJOCVWGXPWXMX-FXAWDEMLSA-N 406.483 0.239 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831434243 USRQWMGGWHQWPY-DYESRHJHSA-N 423.510 0.046 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831736378 CYUIXMLOGPDAKM-QGZVFWFLSA-N 412.393 0.464 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cnc[nH]3)CC2)CC1 1833073948 RMDLUUBUHFLNMG-ARJAWSKDSA-N 414.510 0.453 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1833463580 QUALWZRHLIQGBF-OAHLLOKOSA-N 417.510 0.349 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCF)cn1)CCO2 1833574528 FSKNSJJLXCBHFF-IBGZPJMESA-N 406.414 0.266 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1C)CCO2)C(F)(F)F 1834329614 RFSAPVQLVTXLJN-MRXNPFEDSA-N 402.373 0.609 30 20 HCED COCC(=O)NC1CCN(C2CCN(C(=O)C#CC3(O)CCCCC3)CC2)CC1 1834476707 VTFJEOMDSCXXEP-UHFFFAOYSA-N 405.539 0.903 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834585309 SLEQNHFDOFZBLO-CRAIPNDOSA-N 406.527 0.428 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1835098961 VHBHENGWOAJKAU-QHCPKHFHSA-N 412.486 0.921 30 20 HCED Cn1ncc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cccc21 1835342155 RSYFYMVXISRWRT-QFIPXVFZSA-N 423.473 0.947 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1835351041 HZDZRSYNNUSUOE-SFHVURJKSA-N 408.842 0.814 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cc(Cl)ccn3)C2)C1 1835360184 WLVPVWCSDAHQNS-IBGZPJMESA-N 422.869 0.874 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1835361614 UJVFXXIREQZUPJ-IBGZPJMESA-N 405.407 0.177 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1835406137 UVKHRCNXQGKALO-OAQYLSRUSA-N 423.510 0.048 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 1836095794 ZAFDQFLRBJSXLM-JXFKEZNVSA-N 406.504 0.785 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccnc1)CCO2 1836153297 GGTXBBOUPJQYMJ-HXUWFJFHSA-N 405.520 1.000 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253661 NPMBNRRQDAXGCV-RJQFULPZSA-N 405.495 0.490 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(OC)CCC3)C2)C1 1837401983 BIWWIKDHINWKSI-VGSWGCGISA-N 424.538 0.975 30 20 HCED O=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)C1 1837497510 VYSDIXIUDHPXHE-JOCHJYFZSA-N 418.490 0.121 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)OC(C)C)CCO2 1837592416 RBKOWXDLDJWGDT-ZVYDBLGCSA-N 423.510 0.115 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=CCCS4)C3)C2)c1 1838732786 ARBKZBNDXYRRSU-IBGZPJMESA-N 402.476 0.977 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc(Cl)ccc1OC)CCO2 1839790855 HDUAGNFNNPTLAQ-HXUWFJFHSA-N 406.866 0.981 30 20 HCED Cc1ccc(C)c(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839935699 FVCHHUCYJGXVKX-JOCHJYFZSA-N 414.458 0.390 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840198720 WSCYXZMNSDWOGR-LPHOPBHVSA-N 422.507 0.070 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840428673 RXIVZBWHNIKPNJ-UEXGIBASSA-N 418.494 0.014 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@H](NC)C(=O)O)C3)c(O)n1 1842296952 BEVZRLRQLZIWRI-INIZCTEOSA-N 416.478 0.786 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)Nc2cnccn2)C1 1844280050 PNJXXDHDUIQASS-OAHLLOKOSA-N 401.467 0.990 30 20 HCED COCCOCCOCCOCC(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2 1846257558 CAKXEIZXHZTJDJ-UHFFFAOYSA-N 423.510 0.580 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1847644191 ORBUJFFESQAPBY-XUXIUFHCSA-N 401.529 0.782 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 55854520 MOJFWGBNGJMWRC-SFHVURJKSA-N 407.496 0.273 30 20 HCED Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1F 409569980 IQUFTAOQNHUPAW-QGZVFWFLSA-N 424.498 0.932 30 20 HCED COCCN(C)CCOc1cccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 410126200 WPFSGSKODMUEKD-SFHVURJKSA-N 412.512 0.202 30 20 HCED CCN(CCC#N)S(=O)(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 410147460 BHSZRQDCHNEVTO-GOSISDBHSA-N 422.507 0.887 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2CCO)CC1 426249223 OTARRTAAZLWRRQ-KRWDZBQOSA-N 406.508 0.238 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 426808009 PRDXSMBSKVGUPQ-LJQANCHMSA-N 423.433 0.693 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nn1CCC#N 427403166 HELQWMASJNLCHG-HNNXBMFYSA-N 401.471 0.648 30 20 HCED Cc1nsc(N2CCN(C(=O)COCC(=O)NCc3cccnc3)CC2)c1C#N 427596393 JDVZTIIGARANAE-UHFFFAOYSA-N 414.491 0.700 30 20 HCED C[C@@](O)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 430877617 ZRYFIACLOFYRPR-IBGZPJMESA-N 407.492 0.569 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)c(F)c1 433530148 XDIGYCPTAJAURO-UHFFFAOYSA-N 411.441 0.754 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434915306 SYASQORVQHBECD-AWEZNQCLSA-N 414.510 0.865 30 20 HCED COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H]1C(=O)OC 442116314 VCCMUGKLMYGOGC-HZPDHXFCSA-N 411.418 0.893 30 20 HCED CCCc1c(NC(=O)C(=O)NCCN2C(=O)CCC2=O)cnn1-c1cccc(C#N)c1 443732314 LEELLOXODUUIHC-UHFFFAOYSA-N 422.445 0.900 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(CC)CCC#N)c2)CC1 446864851 GUFGMDZTTWSNJW-UHFFFAOYSA-N 421.523 0.713 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 460805265 QTHNKCKCHZOTID-ZIAGYGMSSA-N 419.573 0.868 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 461292460 IZXIXTOYNXCBGE-OAHLLOKOSA-N 402.480 1.448 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 465269629 ZDTBFHABJJNGEX-AWEZNQCLSA-N 414.491 0.949 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)COc2cccc(C)c2)CC1 476393978 SSIWSTVBFSYJJU-QGZVFWFLSA-N 402.495 0.325 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 480478704 DOTADAJNAAWFCK-CYBMUJFWSA-N 422.550 0.267 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C 480479296 FPWGONFNSTYCQP-OAHLLOKOSA-N 404.558 0.425 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480927228 NLWOKAYOVSCJEV-UHFFFAOYSA-N 422.466 0.308 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNC(=O)c3ccccc3)n2)cc1 490785988 VCRIFNNWUPXQJL-UHFFFAOYSA-N 417.429 0.683 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1sc(C)c(C)c1C#N 497568592 WEMXBAKGTWVILA-AWEZNQCLSA-N 408.480 0.555 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cscn2)c1=O 497577062 YWRGQMHHYSPJDQ-CQSZACIVSA-N 418.544 0.821 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 502558626 CMOIEMQVJFEJKZ-UHFFFAOYSA-N 417.422 0.395 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)cnn2C)c1=O 505695723 WPSBCJVZLIPKIN-UHFFFAOYSA-N 403.508 0.018 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 508894624 LOPUBUIKQNMEPN-CQSZACIVSA-N 416.511 0.668 30 20 HCED CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc21 508993273 FETHVTNPXCANET-UHFFFAOYSA-N 401.423 0.153 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCCC#N)c2)CC1 510369044 JKUFMMNDZWOFRO-UHFFFAOYSA-N 407.496 0.371 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 518328221 VPIFQFNQYQEKMC-UHFFFAOYSA-N 422.507 0.377 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C(=O)N2CCOCC2)cc1 518811331 OKBIVTMIYCKOGE-CQSZACIVSA-N 410.496 0.862 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)C1=O 523389674 YADYXZWKNWEOAT-UHFFFAOYSA-N 400.391 0.737 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 536812829 WMUNTVWYARMDKU-UHFFFAOYSA-N 405.480 0.800 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 538591699 DXDPKPBCLGYGDH-UHFFFAOYSA-N 405.520 0.994 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 544212997 XLOLEHMLYJNULB-RHSMWYFYSA-N 418.450 0.274 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 545332811 IYPWHKWTTSQOPA-UHFFFAOYSA-N 420.539 0.847 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)C1=O 550171432 GDUXKIWEIIKBMO-MOPGFXCFSA-N 414.506 0.421 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)CC1 551543583 SUWIOUQECHKAOQ-UHFFFAOYSA-N 402.418 0.821 30 20 HCED O=C(NCC#Cc1ccccc1)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 559558429 XXQHFWUJODLTEH-UHFFFAOYSA-N 403.446 0.966 30 20 HCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cn1 567763888 TVAPULXEBPVSTA-KRWDZBQOSA-N 408.462 0.297 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 567803442 DRBQZROMUJRGSK-MRXNPFEDSA-N 408.480 0.169 30 20 HCED Cc1nnc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 575211367 NRTLWJLVWXPBSR-IAQYHMDHSA-N 412.475 0.813 30 20 HCED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 581974308 BIKCDKDQWHREAN-UHFFFAOYSA-N 413.887 0.491 30 20 HCED C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1(=O)=O 584306911 LQUCKDWIILWECU-GWCFXTLKSA-N 421.866 1.028 30 20 HCED CN1CCC[C@H](CN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 588865301 XEXHLVFQKPYWLD-HKUYNNGSSA-N 411.506 0.970 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CC(N)=O)cc1 589534197 VKGLJPMFORVYSS-ZDUSSCGKSA-N 400.460 0.569 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cn2)CC1 609565909 CNYYEBBDESFWRN-UHFFFAOYSA-N 421.504 0.836 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 610804382 NCHGOALIVJOUCJ-AEFFLSMTSA-N 420.535 0.938 30 20 HCED C[C@]1(C#N)CCCN(CC(=O)N2CCN(C(=O)CN3CCC[C@@](C)(C#N)C3)CC2)C1 612165991 SCMLVTRMBLAVHR-SZPZYZBQSA-N 414.554 0.909 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(C)c3C(F)F)CC2)c1C#N 616004233 SAZBOKUTDASMHN-UHFFFAOYSA-N 406.397 0.559 30 20 HCED C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)c1C 642119192 YTTYYNOBDFIYAW-MRXNPFEDSA-N 402.451 0.643 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)c1 642172997 JLJHFIUHFVZOMT-UHFFFAOYSA-N 403.526 0.599 30 20 HCED C=CCNC(=O)CNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 679822137 WXWDERICUJGLCH-NVXWUHKLSA-N 423.535 0.526 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 728532009 PHVPFTVXKDEBFE-INIZCTEOSA-N 418.441 0.485 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 728573466 XCXVWXRXNYTKLJ-UHFFFAOYSA-N 420.897 0.807 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1OC 729435777 ZHZHXTOCJVWTNO-WBVHZDCISA-N 416.478 0.565 30 20 HCED CCN(CC)C(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731851134 IGLMOCLJUKPMRL-ISLYRVAYSA-N 420.491 0.973 30 20 HCED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910118 MKMLPRHPJFDHIJ-ZWKOTPCHSA-N 415.471 0.916 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CS(=O)(=O)c2ccccc21 736157401 SGLPQFOKKZPYMX-CQSZACIVSA-N 419.484 0.760 30 20 HCED C[C@H](CC(=O)Nc1ccn(CCC(N)=O)n1)/N=C1/NS(=O)(=O)c2ccccc21 742687262 JMUJCVWWKXERFA-LLVKDONJSA-N 404.452 0.214 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 747854147 GLGJTFYELUIYBB-UHFFFAOYSA-N 403.483 0.412 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)COc2ccc(S(N)(=O)=O)cc2)n1 750173096 XHNDQXIYYHLDGS-CYBMUJFWSA-N 409.445 0.897 30 20 HCED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753359672 SMXMXHIHYANFKB-UHFFFAOYSA-N 403.460 0.399 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 756232997 YUJXMCVXQLOLGI-USJZOSNVSA-N 407.426 0.560 30 20 HCED C[C@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)N(CCC#N)c1ccccc1 756452781 PMUSRCUJARWXND-AWEZNQCLSA-N 419.463 0.577 30 20 HCED CC(=NNc1ccc(C(N)=O)nn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 756838497 NKHRJUNSQBIFFF-UHFFFAOYSA-N 404.452 0.433 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)c(C)c2)c1=O 758074895 CFMHXYKQQXHVHT-UHFFFAOYSA-N 413.474 0.646 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 761026388 ZBDJUSNRSYZZSQ-UHFFFAOYSA-N 420.413 0.609 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(=O)N(C)C 763460388 GZLIBCNMXSNHIT-CYBMUJFWSA-N 400.504 0.455 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]2(CC(=O)OC)CCOC2)ccc1F 766780472 GWVJHIOFIPPMQZ-QGZVFWFLSA-N 400.428 0.742 30 20 HCED C[C@H]1CN(C(=O)Cc2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)C[C@@H](C)O1 771224029 NWNGNTULAQNPAU-TXEJJXNPSA-N 419.463 0.487 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Br)c1 771897835 SKBBJYDGNPQFFD-UHFFFAOYSA-N 415.269 0.549 30 20 HCED COc1ccc(C#N)cc1COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 772245785 OJCAIPWMZSHULC-CQSZACIVSA-N 405.432 0.776 30 20 HCED O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)NCC#CCO)cc1 773550012 GVURLVRIESQIDP-INIZCTEOSA-N 414.487 0.835 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC)[C@@H]1CCCO1 773791505 CHFMUWFFZVAVRB-CJNGLKHVSA-N 409.464 0.181 30 20 HCED C#C[C@H](NCC(=O)N(CCCC)c1c(O)nc(=O)n(CCC)c1N)[C@H]1CCCO1 775791861 XJRMRPLTPSOHST-LSDHHAIUSA-N 405.499 0.845 30 20 HCED COc1ccc([C@H](CO)N(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 777830239 WFYPJNYUOQQTER-INIZCTEOSA-N 403.460 0.926 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780609408 RKWJAJJGUNKBTH-VGOFRKELSA-N 418.538 0.917 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 784924963 WRGTZRKHHQLLNO-UHFFFAOYSA-N 423.517 0.320 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(C(=O)c2ccoc2)CC1 786648429 HAAWPZSSBBORMS-UHFFFAOYSA-N 410.434 0.495 30 20 HCED C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCCNc3ccc(C#N)cn3)cn2)CCO1 787204173 WWWFMGJFLDBRIK-OAHLLOKOSA-N 423.477 0.418 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccsc1 790433981 OOKCFBTWVTWJTB-UHFFFAOYSA-N 411.512 0.982 30 20 HCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c1 795074266 XIAABJSEOPLAGG-UHFFFAOYSA-N 407.473 0.726 30 20 HCED CN(CCCNC(=O)COC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)S(C)(=O)=O 795815338 BKKPVNFSFJYFTC-INIZCTEOSA-N 406.464 0.181 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccccc2C#N)CC1 796184785 QTKSABACRJZQFQ-UHFFFAOYSA-N 400.478 0.689 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC 799287961 VPYAPCURWXEYFV-OAHLLOKOSA-N 400.435 0.778 30 20 HCED COCCN(CCC#N)S(=O)(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 800131385 VWDRHEJHMJIZQW-GOSISDBHSA-N 423.495 0.541 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1nnn(CCOc2ccc(F)cc2)c1C 800325954 ACVPXVLOSSTOAH-UHFFFAOYSA-N 405.386 0.973 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2[C@H]3C=C(c4ccnn4C)C[C@H]2CC3)c1=O 802749175 QQQXJXTVESNKPO-IAGOWNOFSA-N 410.478 0.555 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccnc1-2 806966406 FLKMIDVDYJVHRV-KRWDZBQOSA-N 417.429 0.464 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCc3nc(C)sc32)CC1 807646750 XDDJACNHDRXRGK-HNNXBMFYSA-N 405.524 0.392 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1CCCO1 809308751 KAHVPZBCLXRKIR-MSOLQXFVSA-N 422.503 0.614 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[S@](=O)Cc2ccccc2)cc1 810373016 NRFNFTXTQFYZIB-SANMLTNESA-N 405.501 0.902 30 20 HCED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 815010117 SCLFMOGIRBPDAC-UHFFFAOYSA-N 420.354 0.956 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccncc2)no1 841038215 YAKUPNUGZKNJCS-UHFFFAOYSA-N 412.431 0.877 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCNS(C)(=O)=O)c1 916692997 KQVJFIRMWYPSOS-RGEXLXHISA-N 417.513 0.170 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)ccc1=O 1004791830 NYSXBDHJEXUTLO-SUFIHLRJSA-N 400.479 0.781 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCCN3CCCC3)C2)cc1 1137369624 NIIYATQWQVUMPT-QGZVFWFLSA-N 406.508 0.550 30 20 HCED CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)Cn1cc(C#N)c(O)nc1=O 1147572877 RJPGSDRGEBTQQV-UHFFFAOYSA-N 408.317 0.809 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)C3CCOCC3)CC2)nc1 1312727056 LNGAMCODPQUCRX-UHFFFAOYSA-N 407.496 0.379 30 20 HCED Cn1c(CC#N)nnc1SCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1322445380 IAFYITMPDOQTFU-UHFFFAOYSA-N 414.491 0.762 30 20 HCED N#CCOc1cccc(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)c1 1333245375 PEYFLQSMHDQVLL-UHFFFAOYSA-N 409.489 0.987 30 20 HCED C[C@H]1CN(c2cccc(CN(C)c3c(C#N)c(=O)n(C)c(=O)n3C)c2)S(=O)(=O)C1 1458344774 DKGCPSRIAYLQLE-ZDUSSCGKSA-N 417.491 0.378 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(CCC#N)CC2)cc1 1478186599 KUXBOIPPZXULTA-UHFFFAOYSA-N 422.507 0.515 30 20 HCED CCN(CCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1502182134 JOICVHCAPHHSIC-KRWDZBQOSA-N 424.506 0.792 30 20 HCED N#CCCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 1622471554 ZPLHROLHLHOTQT-UHFFFAOYSA-N 412.537 0.691 30 20 HCED N#Cc1cn(CCC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)c(=O)nc1O 1626060805 ZRBHPUXKGWUKEQ-QGZVFWFLSA-N 415.425 0.539 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1627617987 LNLFJTOUJMRUIP-UKRRQHHQSA-N 411.505 0.293 30 20 HCED COC(=O)c1cnn(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1 1650979413 VNDKPHVTHAIEIH-UHFFFAOYSA-N 408.212 0.853 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1656278062 KPGYGVFKXNMVLC-UHFFFAOYSA-N 414.553 0.728 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)CC1 1761554517 PGOLGLFRXGCWTI-OAHLLOKOSA-N 415.498 0.608 30 20 HCED CN(C)C(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768450946 MLKSDWULOLCBOT-GOSISDBHSA-N 408.510 0.919 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)c1cccn2c(O)nnc12 1777955645 MSNLOLQRGXWLNY-VGOFRKELSA-N 423.473 0.976 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1779020244 KMUMYRKWLPCHEJ-RXULLKCLSA-N 402.499 0.644 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065152 SMRPRTGZAJXUPY-QFIPXVFZSA-N 405.539 0.903 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H]3NC(=O)NC3=O)CCO2)C1 1779238522 ZBJLWQVEABYLMN-JLTOFOAXSA-N 406.483 0.407 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N2C[C@H]3C[C@@H]3C2)C1 1779249398 ZJMDLZSZMCOSLF-GCIBVHORSA-N 417.550 0.879 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(=O)nc5sccn45)C3)C2)CC1 1779948313 HWZYLHCYEDWJEB-IBGZPJMESA-N 413.459 0.503 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782015314 JYQLOPLMJJZDOH-DYESRHJHSA-N 413.405 0.913 30 20 HCED CN1CC(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C/N=C/c2ccco2)C3)C1 1782748951 JVEANLXQFKETLI-AZYJHZSQSA-N 402.495 0.774 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783604348 MEHRYHFDZHMJLD-DPZWOIPNSA-N 412.490 0.605 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(N(C)C)o3)C[C@@H]21 1784501553 VPQVDRWNPOEPSL-UGUYLWEFSA-N 406.483 0.925 30 20 HCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(N4C(=O)C=CC4=O)cc3)C2)C1 1785223685 VMCXICMJYNUSTJ-NRFANRHFSA-N 408.414 0.473 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1786706351 NSGFRJIMMBYTQO-DCAQKATOSA-N 400.361 0.721 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1788638896 RFWKQERRXYNKMK-LNLFQRSKSA-N 412.490 0.769 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)S)C[C@@H]32)n1 1788733298 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O=C(Cc1cncnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1794163416 ZINSQYZIFPBKBB-FTLRFMLOSA-N 417.466 0.138 30 20 HCED O=C(CC1CCOCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795457984 RZXPHRCTHYSKNY-YDFITHNESA-N 423.510 0.922 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cscn1 1796305143 XYYYEZQRVDVJSX-HIRMHNASSA-N 422.551 0.585 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1 1797781119 UMADNUGRBKQWRD-FDPKGLCPSA-N 418.498 0.668 30 20 HCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)on1 1797781221 BWSIEDFYJIEHFY-HGKCTWBKSA-N 401.463 0.885 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783761 HLMPAJUFOOJVJT-RHABUHQKSA-N 417.506 0.315 30 20 HCED Cc1n[nH]cc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1798658780 CNQKWTJVSSFRJK-LPUCPTHISA-N 405.455 0.450 30 20 HCED 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CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273422 UXFMTPOEEPDJNZ-AEBIURJHSA-N 414.568 0.948 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)c1 1841962326 JZWOXNPHSKVBCE-XJKSGUPXSA-N 409.446 0.729 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnc3sc(C)cn3c2=O)C1 1843784360 HVMBJYPPYAKEBI-CQSZACIVSA-N 414.487 0.920 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)C1 1843809748 RBWGZLQZQDINOR-NSHDSACASA-N 412.475 0.706 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cccn3c(O)nnc13)C2 1845188223 VVTWITSDEGUKMW-UHFFFAOYSA-N 413.434 0.761 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[C@H](C(=O)OC)C1 1847258930 JXYZQTGMARFCJZ-DYLMQSBXSA-N 403.479 0.636 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cn2ccncc2=O)c1 1847473574 OFSWDEDWGCBYPR-OALUTQOASA-N 405.458 0.950 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 14326858 YOQOBKCSAJMENS-UHFFFAOYSA-N 417.491 0.529 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)c1 109198478 BUAAKBMVCMSLPG-UHFFFAOYSA-N 413.521 0.094 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 409549856 CEIYEPPNLGTPGR-UHFFFAOYSA-N 410.496 0.560 30 20 HCED C=C[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 426859677 RQOAZQKXNCXNSW-RULNRJAQSA-N 409.291 0.780 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)nc1 428793013 YGTYEQVPJFTBDW-OAHLLOKOSA-N 401.448 0.692 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)NCC1(CC#N)CC1 430323775 RUOBZVAKNDATDQ-UHFFFAOYSA-N 420.491 0.679 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C1CCC1 430970486 JYLUYSUXGBEKJI-UHFFFAOYSA-N 412.515 0.994 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(C2CCC2)c1=O 430973109 VRVYQQOJPMBPNF-UHFFFAOYSA-N 415.519 0.507 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C[C@@H](C)C#N 437406272 FSVYJRFWXHTYEH-ZDUSSCGKSA-N 424.479 0.273 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@H](C)C1CCN(C)CC1 438776139 MYDDGPLRONYKLJ-OAHLLOKOSA-N 409.494 1.575 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 439826587 GUIOVKLCXQGSNA-NSHDSACASA-N 413.272 0.672 30 20 HCED COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 441869751 QKZAVLYQKPXHOM-UHFFFAOYSA-N 415.475 0.907 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1C#N 442135365 QMUMNONELXWXGA-XCLFUZPHSA-N 413.434 0.778 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)n2)c(Cl)c1 443257773 QLAYZGTYPBUXRM-HKAKVCCISA-N 411.849 1.564 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463203662 GWMFQMZBCNWDLV-CPDPWVEUSA-N 422.485 0.948 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)NCC1CCC1 464942466 JLZJXVUIQBXYQW-AWEZNQCLSA-N 421.527 0.288 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)NCC1CCC1 464942467 JLZJXVUIQBXYQW-CQSZACIVSA-N 421.527 0.288 30 20 HCED Cc1oc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(=O)(=O)N(C)C 465119547 HUGBQBVKGVANOP-GFCCVEGCSA-N 418.479 0.851 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 465121320 MQNCRQWERWTHNX-AWEZNQCLSA-N 419.445 0.751 30 20 HCED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(CC#N)CC1 465140009 MLXXMRJYGYMGJX-AWEZNQCLSA-N 408.480 0.182 30 20 HCED Cc1nn(C)c2ncc(S(=O)(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc12 465502524 BNYVPTLYICKPSE-GFCCVEGCSA-N 412.479 0.838 30 20 HCED CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 466813744 FHYGIMIVKYGELI-UHFFFAOYSA-N 415.475 0.872 30 20 HCED Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1C#N 474193119 UQOFAGXTDXCFDQ-UHFFFAOYSA-N 413.381 0.856 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480288855 JQHSBAQFESOWHI-UHFFFAOYSA-N 416.459 0.494 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@](C)(O)CN2CCOCC2)cc1 481017011 QLDQACTXSXVYDL-KSSFIOAISA-N 410.496 0.577 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 481802015 AZRHWXUEFSGNNG-HNNXBMFYSA-N 416.507 0.303 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CS(C)(=O)=O 482153933 RPIUVGIDCITWIL-OLZOCXBDSA-N 401.510 0.507 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 482841583 GYISTPMCXOWWCJ-WBVHZDCISA-N 406.508 0.406 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1=O 482847275 KRJGZSXJEMBOON-XJKSGUPXSA-N 422.507 0.017 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 484110631 NSYAZPVBMWXAGN-LJQANCHMSA-N 423.521 0.915 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 484620806 OJIKPEOEQWZGBT-UHFFFAOYSA-N 418.494 0.682 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)cn1 491589777 UEWWWBCUNDPCAU-UHFFFAOYSA-N 404.814 0.748 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)NCc2ccccc2CN2CCOCC2)C1=O 499938477 GMIQOVNNZGNMHK-FQEVSTJZSA-N 400.523 0.854 30 20 HCED N#CCCN(Cc1ccco1)C(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 502556300 UWYPQIYADXDESB-UHFFFAOYSA-N 404.404 0.777 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCOC2)n1 508307518 UOBQLCUHANYRHN-GFCCVEGCSA-N 418.841 0.973 30 20 HCED Cc1nccnc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 508373842 CHPPMVJFVWVHQA-HNNXBMFYSA-N 414.491 0.672 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)nn1CCC#N 509289501 NRCZVTBMKXZXJT-CYBMUJFWSA-N 408.484 0.117 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 513116489 GKAXRHNXBQZUEN-YTQUADARSA-N 420.510 0.653 30 20 HCED CN(CCOc1ccc(Br)cc1)C(=O)Cn1c(=O)c(C#N)cn(C)c1=O 514490829 PFTMTTNODSZMQM-UHFFFAOYSA-N 421.251 0.719 30 20 HCED CN1C(=O)COc2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc21 515718266 DANKVIZKQAUSLE-UHFFFAOYSA-N 400.416 0.830 30 20 HCED CCOC(=O)c1n[nH]c(C2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n1 519730955 UIVIZJHXGYSQJJ-UHFFFAOYSA-N 418.479 0.901 30 20 HCED C[C@@]1(c2cccc(C(=O)N3CCN(c4cnccc4C#N)CC3)c2)NC(=O)NC1=O 521220431 VLGFVNSYZBXXEE-NRFANRHFSA-N 404.430 0.970 30 20 HCED N#C[C@H]1CN(CC(=O)Nc2cc(N3CCO[C@@H](C#N)C3)ccc2[N+](=O)[O-])CCO1 532548108 HGWXREDPGGTUTQ-GJZGRUSLSA-N 400.395 0.486 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 539647632 DVGRTOKHLCDWTC-UHFFFAOYSA-N 413.478 0.330 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)CC1 540348883 YOCITNBPTBRBGE-HKBOAZHASA-N 404.603 0.637 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)N(C)c3ccccc3)CC2)c1C#N 550637819 MQZTVODVDZHOOV-MRXNPFEDSA-N 423.521 0.890 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553162692 KMPPDZFYDMYLSH-HUUCEWRRSA-N 422.482 0.285 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c(OC)c1 553970345 SZYMLWKCWOUOBP-UHFFFAOYSA-N 413.438 0.335 30 20 HCED CN(C)CC(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 555063123 LHWWBTOQFXLIGA-UHFFFAOYSA-N 415.475 0.975 30 20 HCED CC(=O)N1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 558042577 GUYWAPCLUXBWIB-KRWDZBQOSA-N 415.469 0.863 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](O)CC2)CC1 559479768 LCHYJSDPHSFTOX-QGZVFWFLSA-N 406.508 0.238 30 20 HCED COC(=O)Cn1cc(CNS(=O)(=O)c2cccc(Br)c2C#N)nn1 561539553 FYWPZMKTYCCYHC-UHFFFAOYSA-N 414.241 0.564 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)C1 562358602 PXGMRVRYNFJWRG-INIZCTEOSA-N 407.496 0.595 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 566643668 HKHVMDXKLKQLOR-HNNXBMFYSA-N 407.496 0.582 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 571034053 KMLOVLNZHVEOMW-WMLDXEAASA-N 406.508 0.990 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 575335682 IBCSLTWXKFINLX-KRWDZBQOSA-N 422.441 0.806 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)n1 580136732 LEUWQCQUPFDSOB-UHFFFAOYSA-N 424.442 0.668 30 20 HCED C=CCOc1ccc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 605378383 POTULIPLQFTMBS-QGZVFWFLSA-N 403.479 0.923 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 613156972 CSDQCSYEQZOEBQ-DJJJIMSYSA-N 408.422 0.947 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 680447095 PFEBRHPKTGJSCW-CYBMUJFWSA-N 413.496 0.716 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1=O 738111505 PNXXYUAEPCVCTQ-OAHLLOKOSA-N 421.498 0.442 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 739720429 OYVNIGWOGMCACO-DLBZAZTESA-N 406.527 0.964 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(cccc3N3CCOC3=O)C2)C1=O 742796860 IKSMWFCETRZAST-UHFFFAOYSA-N 412.402 0.505 30 20 HCED Cc1c(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 748429939 YDTWXYTYPQDHLC-LJQANCHMSA-N 401.423 0.152 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)N(C)C)C1=O 748534278 QMOIEUDIVRSENB-UHFFFAOYSA-N 418.406 0.321 30 20 HCED COC(=O)CC1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 749506822 WOCDWTZUNKLRTM-CYBMUJFWSA-N 423.491 0.732 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 750232631 WZDKNCCEFQBGIS-MRVPVSSYSA-N 409.283 0.470 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CCOC)C2)cc1C#N 752402110 GYXAPXSABODRLP-OAHLLOKOSA-N 403.439 0.902 30 20 HCED COc1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC)n1 755535585 HCZFVOBGSLAIIV-WCQYABFASA-N 419.438 0.913 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)ccc2OC(F)F)c1=O 758061171 WZEHZRAOYGXMFA-UHFFFAOYSA-N 403.410 0.702 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCN2CCCS2(=O)=O)C1 758431745 RFTXXCFNKZMQNM-OLZOCXBDSA-N 401.489 0.080 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 759401462 OQHFGAACZQKORE-YPMHNXCESA-N 419.438 0.924 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cn1C 762298390 CGZBCIPNBXGSMI-QGZVFWFLSA-N 417.491 0.869 30 20 HCED C[C@@H]1CN=C(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)S1 765659247 UYRXJWALDTZMAM-ZIAGYGMSSA-N 421.548 0.861 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(O)CCC2(CC1)OCCO2 765744618 TUWAQARHWZDFLE-CQSZACIVSA-N 423.491 0.389 30 20 HCED O=C(Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1)NCCO 769270741 MVCUTVDDHGGAQK-UHFFFAOYSA-N 416.459 0.015 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2ccccc2)c1 769776679 JKYRACBJYWULNJ-UHFFFAOYSA-N 401.400 0.336 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2csc(-c3ccsc3)n2)c(=O)n(C)c1=O 771897723 QQXFWFFJUSJLQW-UHFFFAOYSA-N 411.490 0.581 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCSc3ccc(Cl)cc32)c(=O)n(C)c1=O 771898634 QYYOCTVTGPUEMP-UHFFFAOYSA-N 414.896 0.916 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cc(C(=O)NC)ccc1OC)c1cc[nH]n1 772127185 ZIZMAYXHBNPHOS-UHFFFAOYSA-N 403.395 0.700 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCNC(=O)C(F)(F)F 774975376 XQIAHSVCCJBHGO-JTQLQIEISA-N 407.370 0.837 30 20 HCED C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775322712 FUPZFGYLWIZKDV-HOTGVXAUSA-N 408.476 0.627 30 20 HCED C=CCN(CC(=O)OCC)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 781349510 VEUBHWPVQVVPEC-ZDUSSCGKSA-N 409.464 0.265 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)NCc3ccc(C#N)cn3)n[nH]c2n1 782025651 IAQPSRZSYZCNFU-UHFFFAOYSA-N 412.483 0.480 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3cc(S(N)(=O)=O)ccc3Cl)nc12 782408606 JLNLHZFCNHOMMZ-UHFFFAOYSA-N 407.795 0.964 30 20 HCED C#CCNC(=O)CN1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 782952985 OTHITAJPKSYOMY-UHFFFAOYSA-N 400.482 0.321 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C4(C)OCCO4)C3)CC2)o1 784579648 YAISJGGYTYCCEE-INIZCTEOSA-N 403.483 0.978 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 787669365 IEIDOXXSSVSSQE-INIZCTEOSA-N 405.520 0.923 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(OCCN2CCCC2)CC1 787778026 NZHWWDHEGHFHHP-UHFFFAOYSA-N 414.510 0.585 30 20 HCED CCN(C(=O)COC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 795821714 BFKDCOKVTWEGDP-DLBZAZTESA-N 403.460 0.819 30 20 HCED CN(C(=O)COC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C1(C#N)CCCCC1 803862722 SMKJWHIDEAIOQW-UHFFFAOYSA-N 410.452 0.083 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)nc1 806216153 LGSGARZYTCXDLT-OAHLLOKOSA-N 410.409 0.542 30 20 HCED C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 807458938 LKYWMHNPIBIHGA-JPDJOPTESA-N 409.512 0.504 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)[C@@H]1CCCO1 809304732 PJYQRKRDTHJSRO-ROUUACIJSA-N 404.511 0.906 30 20 HCED CN(C)S(=O)(=O)n1ccnc1C=NNc1nc(O)c2cnn(C(C)(C)C)c2n1 814846870 PMYBWCMNUNAGES-UHFFFAOYSA-N 407.460 0.584 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 816130346 IXVNVDGTABWROM-SNVBAGLBSA-N 420.325 0.825 30 20 HCED C#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 816668979 DFELAAPJHOPOGC-QGZVFWFLSA-N 422.503 0.764 30 20 HCED O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)N[C@H]1CCCN(O)C1=O 820470821 GULWNCHCAQLFBJ-ZDUSSCGKSA-N 401.510 0.962 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 831453435 HAFVTPWBPPYWGK-SECBINFHSA-N 403.800 0.208 30 20 HCED N#CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)cc1 848374739 ZNFTWWFHEVNNSV-UHFFFAOYSA-N 404.242 0.300 30 20 HCED CC1(C)NC(=O)N(CCOC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 914615884 VXTDASUOOCPCAA-UHFFFAOYSA-N 422.463 0.379 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1CCOC 917770815 QQCDVPOYPKYXCC-UHFFFAOYSA-N 407.879 0.467 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)OCC(=O)NCCCN3CCCC3=O)cc2)c1N 919548620 KNGOOIVHEKPDKB-UHFFFAOYSA-N 410.434 0.612 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1116203807 YUDRNKLXJVMKOZ-UHFFFAOYSA-N 409.450 0.693 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 1296167803 NYGWPXJEOVDMMI-STQMWFEESA-N 410.471 0.843 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1297778728 NRBWBUYFHHTZBL-INIZCTEOSA-N 420.495 0.622 30 20 HCED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1320318653 ZOCXWJPZPJLPTN-AWEZNQCLSA-N 408.480 0.398 30 20 HCED C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN1CCOCC1 1343362055 SGYHLOVZRSDTDH-WBVHZDCISA-N 414.462 0.291 30 20 HCED 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CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837563504 ZRORRIAWWNWYEV-MHRHTVJOSA-N 420.510 0.543 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(Cl)cc3OC)C2)C1 1839810340 RJROADYYCNQLIC-HXUWFJFHSA-N 406.866 0.981 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1)C(F)(F)F 1839892503 QHSQGQMUPBAPNR-MRXNPFEDSA-N 418.372 0.495 30 20 HCED Cc1csc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840040991 JWXGWIDLOFXRHJ-FQEVSTJZSA-N 420.487 0.534 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840562499 WTFUOGGPOAQCPK-HXUWFJFHSA-N 408.451 0.256 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815300 HWVHVGHXKTYWAG-YWZLYKJASA-N 423.466 0.698 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2[nH]nnc2C)C1 1843162254 PZRWTAHYIBAABN-AWEZNQCLSA-N 416.482 0.847 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(n2)OCCO3)C1 1843312839 NKWBSFGVXBJMQX-UHFFFAOYSA-N 413.478 0.952 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)[C@H]1SC(=N)NC1=O 1844258877 DXZZBDVRPKBWSJ-SVUDFFFFSA-N 420.539 0.464 30 20 HCED COCCOCCOCCC(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1846248768 NHCXXFSAUDEUBP-HYARGMPZSA-N 421.494 0.972 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccccc1C(=O)OCCO 1847805918 KQRHJINOSYRTSP-MNEFBYGVSA-N 414.458 0.689 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1=O 16364959 GCWIRAZCKBPVKM-HXUWFJFHSA-N 400.435 0.781 30 20 HCED CN(CC(=O)Nc1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 31186547 ZVBPOPUNQCECGZ-UHFFFAOYSA-N 402.432 0.682 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CSCC#N)CC2)cc1[N+](=O)[O-] 32690056 RYUQOVGWZGNCRI-UHFFFAOYSA-N 414.465 0.693 30 20 HCED N/C(=N/CCNC(=O)c1ccc(Br)cc1)NCCCN1CCOCC1 303882766 LUPUGBDKIXKLNN-UHFFFAOYSA-N 412.332 0.806 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21 437027337 ZIENHMKTQVYOLP-MAUKXSAKSA-N 421.519 0.971 30 20 HCED Cn1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 438305403 PUJMOBAVBNUBRI-UHFFFAOYSA-N 401.448 0.795 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1 442115172 ZDJANLBYMQANNE-OAHLLOKOSA-N 402.495 0.845 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)Nc3ccc(C#N)cc3)no2)cn1 442348792 WZKWIMHDBLIOIE-OAHLLOKOSA-N 407.390 0.880 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(C)(C)N1CCOCC1 464861173 XWSRLRSTDWVZBU-MRXNPFEDSA-N 401.515 0.086 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 467141254 IHRRWNHIPWMPAS-ZOBUZTSGSA-N 422.445 1.186 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 474232093 CVEFSKXZLFXNAQ-IAGOWNOFSA-N 404.492 0.589 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 484580835 FWXMYYXWSSVVHH-OCCSQVGLSA-N 410.496 0.720 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)C2)nc1 490071273 YYZMCQVFKLLGME-LLVKDONJSA-N 414.403 0.545 30 20 HCED CCCCn1c(=O)nc(O)c2c1nc(Cn1c(=O)c(C#N)cn(CC)c1=O)n2CC 498121047 LSONJVCOKHAYOH-UHFFFAOYSA-N 413.438 0.382 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)N3CCS(=O)(=O)CC3)C2)c(F)c1 500094667 BCVCNWBHONKATO-CQSZACIVSA-N 416.500 0.231 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)s1 510695188 BBJVMVPMHWAXQJ-OUAUKWLOSA-N 402.502 0.122 30 20 HCED N#CC1(F)CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 510888815 SDNYJHCQINBFOO-UHFFFAOYSA-N 408.499 0.988 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1Cn1cncn1 512452700 BYGSOYNBGCOAST-HNNXBMFYSA-N 424.490 0.887 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC(C)C)c2)c1=O 520868796 XHRGXWBSKIEYBX-UHFFFAOYSA-N 415.515 0.983 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCc1cccnc1 524109466 CQFYMWMQTXOCPG-UHFFFAOYSA-N 420.494 0.805 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cscn2)c1=O 527030512 VJXZGBGEGGBNKQ-ZDUSSCGKSA-N 419.528 0.902 30 20 HCED COCCN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542992925 RFZMFELQKWPPIH-UHFFFAOYSA-N 402.430 0.858 30 20 HCED CN(C)C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 543928186 LIGLVSWCBVSBNE-CQSZACIVSA-N 400.414 0.611 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 547962307 TUXNWLMLKNEIEB-VIFPVBQESA-N 423.903 0.219 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCO2)CCO1 549494771 CCZFOHPSRLDNRG-IAGOWNOFSA-N 407.438 0.829 30 20 HCED C[C@@H](COc1cccc(F)c1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551665126 GFJHLGWKLIZLOE-LBPRGKRZSA-N 402.430 0.977 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2c(OC)cc(OC)cc2OC)C1=O 553619328 KZNMGCOIDHKFCA-INIZCTEOSA-N 419.478 0.616 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](CC(N)=O)C3)C2)c(F)c1 553808708 ZLTRUJXDXJURQN-HOTGVXAUSA-N 415.469 0.896 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1Br 556131516 VIKXVUAFDGALHN-LLVKDONJSA-N 415.269 0.539 30 20 HCED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 556153680 RMTNCQJYJJKGDA-UHFFFAOYSA-N 424.461 0.338 30 20 HCED C[C@@H]1CCCN(CCCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 559839906 SYDFTOQTZHYXEH-OAHLLOKOSA-N 403.531 0.883 30 20 HCED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN(C)C 564509187 DVLPCOOZLAZDHQ-KRWDZBQOSA-N 423.539 0.045 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 572085557 RDDZNHZLKIBPNA-HXUWFJFHSA-N 414.506 0.714 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 578795796 WZGPGRLNTYJSOX-XSLAGTTESA-N 406.442 0.440 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c3OCC(=O)N4)CC2)c1C#N 580652321 AAJVQJIYWHDUKL-UHFFFAOYSA-N 423.433 0.218 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1cccc(C#N)c1 587721299 XFLAHFQCUYRKIG-MRXNPFEDSA-N 411.506 0.748 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCOCC3)nc2)c1 590650581 MNWATWHBAWZRIC-UHFFFAOYSA-N 415.475 0.385 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(=O)N(C)C 604270008 MLNJOGCQBSCCPQ-UHFFFAOYSA-N 418.544 0.397 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)cc1 608911434 FTBUNRROZKSIFZ-UHFFFAOYSA-N 412.515 0.233 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 609038480 PNPVVJNEUDEIBM-UHFFFAOYSA-N 417.494 0.724 30 20 HCED COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCOCC1 609349787 JEXGQSBDHDIHIW-QGZVFWFLSA-N 423.491 0.824 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 610084818 OBOGIGRMPSUKGP-AWEZNQCLSA-N 412.487 0.545 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C)CC1 610135606 GERMDGBRLPRAOM-INIZCTEOSA-N 408.524 0.714 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 612235819 HPIXQUYRRDAZQB-MSOLQXFVSA-N 403.435 0.928 30 20 HCED COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CC[C@@](F)(C#N)C3)nc(=O)c12 615643885 GHTPAUOZKUJZEV-QGZVFWFLSA-N 408.411 0.924 30 20 HCED C=CCn1c(N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 641980700 QYOMSDNZYALTAN-UHFFFAOYSA-N 422.536 0.672 30 20 HCED C#CCN1CCN(CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 725769804 YZBUCHRLHPLNMH-NRFANRHFSA-N 411.462 0.619 30 20 HCED Cn1cc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 725998530 SGBCWIMNUUGLTE-UHFFFAOYSA-N 424.417 0.974 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1 728590242 YADXDMINDPNGCG-UHFFFAOYSA-N 401.488 0.904 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3noc(CC)n3)CC2)c1 731853641 NEXYGJSCVYUHSJ-UHFFFAOYSA-N 417.491 0.502 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C)COC2)cc1 733049895 GWYJYWFFTCHWJP-QNGOZBTKSA-N 408.480 0.591 30 20 HCED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745495800 IJZVYORNBFWADY-VXGBXAGGSA-N 424.479 0.670 30 20 HCED COC(=O)CN(CC#N)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 746455618 VUPFBTZANSOQEH-UHFFFAOYSA-N 407.452 0.094 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)CC1 749665450 BMSSNTKEJYDXIN-UHFFFAOYSA-N 407.902 0.791 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)CC1 754312832 GICWGCASQSTFNC-UHFFFAOYSA-N 407.492 0.456 30 20 HCED C#CCN1CCC(C(=O)Nc2cc(S(=O)(=O)NC)ccc2NCCOC)CC1 763092733 CUHHLILXQIGKDJ-UHFFFAOYSA-N 408.524 0.937 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 767038402 QRZWOVJHAKXBDY-SJLPKXTDSA-N 422.489 0.750 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)CC1 769670330 DCGJFJINCHVKAA-UHFFFAOYSA-N 403.501 0.917 30 20 HCED C#C[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@H]1CCCO1 772890777 RZOBRGIVQLSOQQ-RBUKOAKNSA-N 405.520 0.744 30 20 HCED C#C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 775346417 JFFPSIYHCGUEKI-OALUTQOASA-N 405.520 0.598 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCOCC1 776718444 QWFOEQWLQVSBRJ-OAHLLOKOSA-N 422.507 0.115 30 20 HCED CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCNc1ccc(C#N)cn1 777882346 ZFUDUFDLQPGMKD-UHFFFAOYSA-N 409.493 0.642 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)OCC)c2)CC1 778621435 XYVUCENAEGIYHZ-UHFFFAOYSA-N 411.455 0.058 30 20 HCED Cc1c(NC(=O)C(=O)NCc2ccc(C#N)cn2)cccc1S(=O)(=O)NC1CC1 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0.336 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 810778491 ATHHFDJKNLWVRS-KBPBESRZSA-N 414.505 0.567 30 20 HCED C[C@@H]1C(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1Cc1ccccc1 811645280 HBYJRSKGLRYXLQ-CYBMUJFWSA-N 405.480 0.013 30 20 HCED C#CCONC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 812786936 ZSMNDPIFLGLFLA-ZDUSSCGKSA-N 408.885 0.103 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(N(C)C)nc3)cc2)CC1 814834032 OHMKYVJAMWBPDL-UHFFFAOYSA-N 403.512 0.925 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nnn1Cc1ccccc1F 815491455 PZHKLEBVCKDLPA-MRXNPFEDSA-N 411.441 0.911 30 20 HCED C=CCNC(=O)[C@H](C#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916916798 BZWPYDAKIVSTMX-OAHLLOKOSA-N 400.460 0.859 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 920720565 YWKZPZSNFYOWAY-KRWDZBQOSA-N 424.435 0.615 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnccc1=O 996973570 ALAOYROMWDYIMB-ZBRFXRBCSA-N 400.479 0.863 30 20 HCED 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CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C(F)F)n3)C2)C1 1830060568 WXUTYGLCYIHPJX-SFHVURJKSA-N 411.409 0.898 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3ccnc3)CCO2)C1 1830973469 XVKDNCCEPWKIFU-SQGPQFPESA-N 406.483 0.492 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sccc3OC)C2)C1 1831396413 LPAJYIHKPXRLSD-YWZLYKJASA-N 422.503 0.865 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1831402179 PXXPBELJBSLMPL-RYLXDESZSA-N 408.495 0.032 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C34CC(F)(C3)C4)CCO2)C1 1831588974 OTUOWSLDKQDHOI-DTBAYKQASA-N 410.486 0.908 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831745885 JETZVZOPUXZGDB-HXUWFJFHSA-N 412.471 0.660 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)cc1 1831767251 VAXJMKNYXUEDJD-NRFANRHFSA-N 409.446 0.860 30 20 HCED C=C(C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1)C(F)(F)F 1833513807 MQDPHAHLRFBDTP-AWEZNQCLSA-N 418.416 0.785 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncnn1C)CCO2)C(F)(F)F 1833845415 OTJAPZBRGOJTSE-OAHLLOKOSA-N 403.361 0.004 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833988165 OQCGSKMAAILGGS-OAQYLSRUSA-N 417.462 0.661 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834395389 DDMSDNUBLYQNHZ-MGPUTAFESA-N 406.483 0.063 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(N4CCCC4)ccn3)C2)C1 1834761126 WVCLPPHJYOTWGY-OAQYLSRUSA-N 413.478 0.665 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5cncn5c4)C3)C2)CC1 1835344500 IXAGVWOPATXDDN-NRFANRHFSA-N 409.446 0.708 30 20 HCED CCOC(=O)N[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835642903 VXNKHCXEUKCBHL-QGZVFWFLSA-N 423.514 0.172 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nnc1C)CCO2 1836298002 PWJXBAWEYJBVDL-IBGZPJMESA-N 407.471 0.166 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836850866 GDXMNDQZFOWSCP-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1838434863 ZSNSVEUKSAVDNO-HXUWFJFHSA-N 421.538 0.940 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@]4(F)Cl)C3)C2)c1 1838742063 PJPZAXYETDHRDF-BVGQSLNGSA-N 410.833 0.881 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)ccc1F 1839321629 NGCIUTKYIAPJRY-FQEVSTJZSA-N 404.394 0.292 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC(C)C)CCO2 1839847070 ROMFKTXNFHBSCE-RFFSMVSESA-N 407.511 0.737 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839887791 HUDFGGMXXIZMFM-GOSISDBHSA-N 415.437 0.277 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840048311 XZWZAXLODTWBIO-DKLJTFSYSA-N 406.479 0.049 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4[nH]ncc34)C2)C1 1840159621 IVNURCLYXUKJKA-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1840291958 OTLYEOWSSCCDRG-NRFANRHFSA-N 402.495 0.992 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1840292110 XGOHUSBCYSRWAF-UTKZUKDTSA-N 407.511 0.551 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(C(N)=O)cc4)CCO3)C2)C1 1840645785 MDVZRLXCBCVWTE-QFIPXVFZSA-N 413.474 0.822 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)cc1 1840830422 OQBXTHQVTSURFW-JOCHJYFZSA-N 411.458 0.536 30 20 HCED CC(C)(C)OC(=O)NC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1840955857 OJAWWQCZIKUNGG-LJQANCHMSA-N 422.482 0.414 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1841600316 SASCPCDUKJHXRB-JKSUJKDBSA-N 423.510 0.768 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1841748425 WDTZMVGQTNDTCA-HNNXBMFYSA-N 408.499 0.795 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1842920419 JPGCOLRHKLQTMM-UHFFFAOYSA-N 423.473 0.920 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844331878 XLWAHISCAJSETK-INIZCTEOSA-N 415.494 0.781 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673972 CIVUQCSWLSEZDQ-AWEZNQCLSA-N 412.450 0.707 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CCN1CCN(C)CC1)C2 1845188008 UPOFPSXFBSUVFQ-UHFFFAOYSA-N 406.527 0.337 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)c1 1847468113 AKZDEKGXBPVUNO-IRXDYDNUSA-N 409.446 0.244 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC(=O)NC2CCCC2)CC1 16634963 WUICGKPOYNZOJC-UHFFFAOYSA-N 419.507 0.633 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 28699202 ZINNYHBJHURKMA-UHFFFAOYSA-N 411.436 0.113 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cn1C 110007232 HAIVQRCPJVZPRT-LBPRGKRZSA-N 419.463 0.839 30 20 HCED Cn1c(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(C#N)c(=O)n(C)c1=O 301117061 OUGFFYPIMLXJNI-KRWDZBQOSA-N 423.521 0.389 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O 409479693 YBSGQBMIDXYMFY-SFHVURJKSA-N 408.524 0.917 30 20 HCED Cc1ccc(Br)cc1NC(=O)CNS(=O)(=O)N1CCO[C@@H](C#N)C1 410111302 YSFMUMRSCJSDGO-LBPRGKRZSA-N 417.285 0.755 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 410135035 LDQGBJRPLUCFQK-OAHLLOKOSA-N 402.542 0.932 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c1 437208606 LFVYIRTYCAFFTC-AWEZNQCLSA-N 424.504 0.959 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 441134581 JYRRQSLAOSKLGY-MJGOQNOKSA-N 424.505 1.273 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 441931725 XKRHZLALSKVQDT-CYBMUJFWSA-N 401.513 0.789 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)NCc3cccc(F)c3)no2)C1=O 445764315 IISKEQRAOVLBRR-UHFFFAOYSA-N 401.354 0.544 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)cc2)cn1 460578502 SGFZDCJAODRNGL-INIZCTEOSA-N 424.392 0.773 30 20 HCED CN1CCO[C@H]2CN(C(=O)C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)C[C@H]21 473321484 BPLKTVLKNNVEOE-HIFRSBDPSA-N 412.368 0.979 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](CNS(N)(=O)=O)C1 500314225 KHJGEBGNNDAAPV-HOTGVXAUSA-N 423.539 0.835 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cn1 508627397 AVCCUHVCIZHVSB-UHFFFAOYSA-N 421.339 0.311 30 20 HCED Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1I 508981499 SXWREZXYUUUOFE-UHFFFAOYSA-N 400.176 0.294 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 514918691 SRWRTWTXNBKVTB-UHFFFAOYSA-N 417.874 0.653 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCO[C@H](C)C2)cc1 523244447 RAOVOSCPEVMONR-OAHLLOKOSA-N 424.523 0.269 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 523914990 VDIXHKOSGAFSHJ-SFHVURJKSA-N 413.526 0.728 30 20 HCED C=CCN(CC(=O)N(C)CC(=O)Nc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 533387587 JRHHSANBNFTXEG-MRXNPFEDSA-N 409.508 0.767 30 20 HCED C=CCN(C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 534196394 XKXVUROJWDSYAY-MRXNPFEDSA-N 423.491 0.725 30 20 HCED C=C[C@@H](CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 535406451 RIWGYUDEYQVHAL-PKOBYXMFSA-N 419.547 0.794 30 20 HCED CC(=O)NC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 538352881 RPGZIWFFBVZERS-PMACEKPBSA-N 417.485 0.371 30 20 HCED C[C@H](CNC(=O)C(=O)NCc1ccc(-c2ccccc2C#N)cc1)S(N)(=O)=O 542881738 WCYOIZIUUSGFHY-CYBMUJFWSA-N 400.460 0.635 30 20 HCED Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 543928195 LQWWMJUKSQPHMZ-CQSZACIVSA-N 413.825 0.919 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 544867723 UGWYYFHSNHPWMF-UHFFFAOYSA-N 410.434 0.661 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 550466287 RHHNETQFRHHYLS-GOEBONIOSA-N 401.529 0.404 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)n1 551379722 BISJNUSKBQCETG-AWEZNQCLSA-N 409.512 1.264 30 20 HCED C[C@H](c1ccc(F)cc1)N1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 555420992 XQPWQANUACXQOI-XYPHTWIQSA-N 410.471 0.936 30 20 HCED C[C@H](OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nccn1C 561600207 FLEGCOZBWRSNFY-HNNXBMFYSA-N 417.491 0.902 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 562023824 AJFDSDJHIVQERZ-IAGOWNOFSA-N 406.531 0.931 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC3(C#N)CC3)c2)CC1 569653091 JZEHIITXMNYFDU-UHFFFAOYSA-N 419.507 0.371 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1 574611721 DHCUNJMSNGJXIA-OCCSQVGLSA-N 405.398 0.856 30 20 HCED CN(C)CCN1CCC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 576408468 SALKNICLNVJTEA-UHFFFAOYSA-N 407.540 0.226 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 584491235 CHSCXSYAXBKNTI-UHFFFAOYSA-N 424.460 0.864 30 20 HCED C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 585704652 GXCAITIQGKNTRV-QGZVFWFLSA-N 421.505 0.854 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC1 588124543 BVQNSDYIIOBWQS-UHFFFAOYSA-N 419.448 0.204 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)n1 589414827 CPHBTPKXCQDCDP-OAHLLOKOSA-N 410.434 0.731 30 20 HCED CS(=O)(=O)NCCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 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30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 742251309 RPYQBJSWORVYQR-NRFANRHFSA-N 416.497 0.483 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 742551556 RAIFSEWRBJHKRO-UNDKWDADSA-N 409.493 0.994 30 20 HCED COC(=O)CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 742962588 SYVDTWQRBYPUAB-UHFFFAOYSA-N 423.491 0.981 30 20 HCED O=C(NCCCN1C(=O)COc2ccccc21)NCCN/C(O)=C1\N=CC=CC1=O 745813719 QODUSUXTNTVZKU-VHEBQXMUSA-N 413.434 0.628 30 20 HCED CC[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749742534 IGGXITUEGFBNNL-QIAIEURZSA-N 410.496 0.715 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(=O)N(C)C 752135661 DCLQTDFCOIIKMS-DMJQWXIHSA-N 423.495 0.031 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCc2ccnc(C#N)c2)c1 754715167 LBRTUKSQKZLRFA-UHFFFAOYSA-N 404.448 0.889 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761027966 XNUMYJUDLPITKM-UHFFFAOYSA-N 405.430 0.335 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccn(C)c2)c1=O 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NC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)CC2 1828321793 CCVHCKSIIRTXCW-JZIJBWNUSA-N 424.483 0.252 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CC(F)(F)C3)CCO2)C1 1829983829 VEQBDBLCPJZGAZ-KDOFPFPSSA-N 400.422 0.526 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830219832 FNMKYYKBDKGTEH-PZJWPPBQSA-N 404.463 0.761 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1831438513 UAFVYGLFJXGJSE-LQWHRVPQSA-N 410.511 0.851 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CC(F)(F)C(=O)O)CC1 1831669247 QCVBGMDGVJFKEF-ZDUSSCGKSA-N 400.378 0.804 30 20 HCED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN(CCO)CCO)CC1 1831843906 GCGGEVGZWIDBFV-DOTOQJQBSA-N 401.573 0.211 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1832000537 SIKAQTOYJVCEMT-IIBYNOLFSA-N 421.494 0.545 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C[C@H]4CCCCO4)CCO3)C2)c1 1832347234 KJCPTTGISOCIDL-DYESRHJHSA-N 416.478 0.916 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1832452937 KXHHKTKAYRHVMM-DNVCBOLYSA-N 413.540 0.229 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1832456002 HOLIRNOOTSHQHZ-APWZRJJASA-N 423.539 0.290 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833438821 SZRDQQSVBPMIFO-HXUWFJFHSA-N 402.451 0.359 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833522038 GMQLEEMZOAPLLO-HOTGVXAUSA-N 423.558 0.870 30 20 HCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nc1 1833645906 RFNIBSGNQARQAW-OAQYLSRUSA-N 413.478 0.521 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3OC)CCO2)C1 1833865138 ZBWIDUIEQVHUBK-QRWLVFNGSA-N 406.483 0.711 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2)CCO3)cc1 1834032262 ZQDCBOZRFCIOMG-NRFANRHFSA-N 407.430 0.732 30 20 HCED Cn1c(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)cccc1=O 1834084413 FJWDLQMWCVVWFT-UHFFFAOYSA-N 411.506 0.874 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1834486381 HZNZWTHBPPGSPN-NRFANRHFSA-N 417.462 0.443 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835963273 BZZAAUQAFYPCMW-CQSZACIVSA-N 403.483 0.339 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c2cccnc21 1837186286 FDXNBEOFVWZUCY-OAQYLSRUSA-N 411.462 0.947 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1837305875 LHTMQBPDLUFDOL-PGRDOPGGSA-N 419.522 0.834 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837639642 NUFDSJGBOZLUQC-APWZRJJASA-N 423.539 0.290 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837814022 BMFMUFRIDVOPED-YWZLYKJASA-N 405.451 0.448 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)COCCO)CC2)CC1 1837870031 JNSHWWOUQKRVPG-UHFFFAOYSA-N 424.542 0.276 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4c(F)cncc4F)CCO3)C2)CC1 1838164348 CCZVQLCXSNEYRT-IBGZPJMESA-N 406.389 0.734 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)nn1 1838346433 TTXUTXVTYQDATB-LJQANCHMSA-N 403.439 0.105 30 20 HCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)cnn1C 1838734574 CLQJDVMRUDPILZ-HXUWFJFHSA-N 412.450 0.312 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908436 ZZHMCQIZAPYXCQ-VGSWGCGISA-N 414.506 0.968 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncc[nH]4)C3)C2)cc1 1839362339 MBWBQZUJJSYKPP-OAQYLSRUSA-N 409.446 0.860 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715142 JDCRLNRRZQEAAT-UWJYYQICSA-N 420.510 0.221 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(C)=O)C2)C1 1839890098 HCNRJJRHBXWZEN-CXAGYDPISA-N 403.426 0.179 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1)C(F)(F)F 1839893595 DQUCHUCEMPYNCZ-QGZVFWFLSA-N 415.368 0.976 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)[C@H](C)S)C4)C3)(C1)C2 1840007084 MAYQAKAOCOVHTQ-KSBHDHOUSA-N 412.508 0.104 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840158698 OXOYTNBEGLSXFU-AUUYWEPGSA-N 408.524 0.536 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1840166293 BJNGERPQKDNRRL-QFIPXVFZSA-N 405.539 0.978 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840216935 XDGKBLGYHYLFIF-IQTGRTGDSA-N 417.462 0.849 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1cncn1 1840417110 GRWVVZLTZDBNBN-XMSQKQJNSA-N 423.473 0.347 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1 1840713973 LNHYFBLZXCMAKW-NYDSKATKSA-N 424.501 0.912 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812573 XUWMJKDWZMGAEW-QRWLVFNGSA-N 406.483 0.051 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1840885925 ICLMMJLPWKJHAK-FZKQIMNGSA-N 402.513 0.350 30 20 HCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542049 ILPOCMTXILRWDQ-UHFFFAOYSA-N 408.495 0.299 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC3(CCCN3C(=O)CCC#N)C2)C1 1842814603 UTXSKKBJKMYQLC-FQEVSTJZSA-N 406.483 0.865 30 20 HCED O=C(c1nc2ncccn2n1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282542 CGUHNEHAAINOEE-UHFFFAOYSA-N 408.462 0.640 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1844286677 ZPLDLEWNMZGQFI-JDYBYSMLSA-N 419.434 0.397 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H]1NC(=O)NC1=O)c1ccccc1 1848131797 ROPWXARHIZZYPW-XWSJACJDSA-N 422.485 0.984 30 20 HCED Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1C 409543069 FOTMIALUGQPUFE-KRWDZBQOSA-N 421.523 0.329 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)n1 426812228 QFKAUSNSUWGTCG-UHFFFAOYSA-N 410.415 0.650 30 20 HCED COc1nc(N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)ncc1Br 426873466 BPEPUMXHNSIIFD-UHFFFAOYSA-N 407.232 0.060 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 436120007 FODWXOZKOUTDSD-SFHVURJKSA-N 418.519 0.233 30 20 HCED Cn1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2=O)n1 442848573 ZMENFAKQWPDCQL-GFCCVEGCSA-N 404.408 0.674 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(-c3cnccn3)noc2=O)CC1 444403829 JBZOSTLFLNTUNJ-KRWDZBQOSA-N 423.408 0.841 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCC(=O)NCc2ccccc2)cn1 460611645 KLQRINGWDOZYHO-UHFFFAOYSA-N 417.429 0.900 30 20 HCED C=C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 465352980 LAMCGZRYWBAJMH-ZDUSSCGKSA-N 411.480 0.735 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccnc1-n1cccn1 465415545 IPRFRWSPTCMKLE-AWEZNQCLSA-N 417.433 0.605 30 20 HCED CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 471790347 FJCRHYGDNYZVLM-UHFFFAOYSA-N 416.481 0.949 30 20 HCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472852805 DOVLXLFECJEOMX-UHFFFAOYSA-N 424.461 0.603 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473389470 MSNIATYGYRXKPO-UZLBHIALSA-N 423.517 0.861 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(-c2ccsc2)c1=O 479395504 OFRBJEFTUIMRRN-GFCCVEGCSA-N 412.496 0.803 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(S(C)(=O)=O)nc1 480785963 KYXPRKYGGSUNMW-NSHDSACASA-N 408.461 0.662 30 20 HCED C[C@@H]1OCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1C 483511393 RSQBMWHLNCEOOF-CVEARBPZSA-N 406.508 0.500 30 20 HCED Cn1nc2c(c1NC(=O)C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 488604020 DJRSCDMBTKMIDL-KRWDZBQOSA-N 406.446 0.636 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCCNC(=O)C3CCC3)n2)cc1 491127095 ARCSQMGAUWTWLO-UHFFFAOYSA-N 409.450 0.559 30 20 HCED CN(CC(=O)N1CCN(CCN2CCCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 493948242 ZZAXNPLALXLUES-UHFFFAOYSA-N 419.551 0.419 30 20 HCED COC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 495946606 HEUBGSALFZNTKQ-IAGOWNOFSA-N 410.430 0.872 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1=O 499147379 QAJRDCAGCWABSI-UHFFFAOYSA-N 413.478 0.027 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 504738743 BWQUCRGCPZFUHP-INIZCTEOSA-N 420.491 0.458 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1C1CC1 507089392 PJDPBTCWDVQVST-UHFFFAOYSA-N 401.463 0.958 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 509000860 LBCMFQIPKLTPTG-HNNXBMFYSA-N 400.468 0.730 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)n1 513108723 RPGLDBAFDODJHH-ZDUSSCGKSA-N 401.398 0.821 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)nc1 517394188 FOJSKOVHVILSFD-UHFFFAOYSA-N 412.431 0.682 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 518102239 AKOAWJPIWFGMLO-UHFFFAOYSA-N 405.842 0.347 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 519073571 IVYKGFIINJVQJS-UHFFFAOYSA-N 410.908 0.139 30 20 HCED CN(C[C@@H](O)COCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 522043792 SGSBANUXDWPLBL-GOSISDBHSA-N 417.487 0.873 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 530467191 GSNIHXVBOUBMOF-UHFFFAOYSA-N 423.477 0.637 30 20 HCED C=CCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 533065414 LVYCYSASUGBOGC-OAHLLOKOSA-N 402.538 0.991 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 533459506 NNMNXYKPTUWZQS-UHFFFAOYSA-N 403.487 0.056 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3nc4ccccn4c3C#N)CC2)C[C@H](C)O1 541114003 ADDBOJCXXWZKNM-GJZGRUSLSA-N 404.496 0.682 30 20 HCED C=CCOC[C@@H]1NC(=O)N(c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1=O 552776862 LUHDNMSXHXOSBH-INIZCTEOSA-N 408.480 0.250 30 20 HCED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC#Cc1cccc(F)c1)CC2 559028928 GGYOEYULGLBECJ-UHFFFAOYSA-N 415.446 0.791 30 20 HCED C[C@@H](COc1ccc(F)cc1F)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 560310146 UCQZSLXXTOOYDE-NSHDSACASA-N 420.420 1.116 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 562775934 YWTJAEIZXKDRJC-KRWDZBQOSA-N 407.430 0.890 30 20 HCED CSc1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccn1 564096746 CBRHJEXVPFFEEL-UHFFFAOYSA-N 413.507 0.682 30 20 HCED COCC[C@@](C)(C#N)NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 566998059 PEIXQVYYLXSYDX-IBGZPJMESA-N 408.524 0.882 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 571840911 AZLBGVASEMPATI-CYBMUJFWSA-N 408.256 1.081 30 20 HCED CCCCN(C(=O)CN1CCN(c2cnccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 572673378 RIIXWFLHNBCCBI-SFHVURJKSA-N 419.551 0.891 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 577661859 AQQIUBDVUKPNBA-YJBOKZPZSA-N 401.463 0.846 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C4CCCC4)CC3)C2=O)cc1 580490438 QRSCAZPEWPEWGY-FQEVSTJZSA-N 423.517 0.862 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1 585757103 KMTYNHROVQRSID-UHFFFAOYSA-N 417.429 1.192 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)c1C#N 587730150 LQFJXFPSGCHQAU-CQSZACIVSA-N 405.462 0.998 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 608991055 CUEHEDIYKIGVCM-INIZCTEOSA-N 420.539 0.893 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 610797152 YGPKGOIHVWGCPU-RDJZCZTQSA-N 406.508 0.548 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)CCCN2CCOCC2)CC1 613262211 RFJLREREJCLQEX-UHFFFAOYSA-N 409.512 0.598 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CCc3cc(C#N)ccc31)C2 618853721 NUMHDEHKAFQUSI-MRXNPFEDSA-N 409.450 0.217 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 641892790 VBSCTJBKHSFNFJ-UHFFFAOYSA-N 423.516 0.859 30 20 HCED C=CCN(C(=O)CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 729628804 GQCFZHIJXQKQKT-CYBMUJFWSA-N 402.494 0.305 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 732474531 FAEASBSOXRTVAT-KDCJFMNISA-N 422.555 0.867 30 20 HCED C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 733889141 PDDASTDXHYZCBO-VVLNONDKSA-N 402.498 0.376 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](OCc2ccncc2)C1 734463073 ZAUKEUNJRDBLDJ-HNNXBMFYSA-N 400.460 0.938 30 20 HCED N#CC1(C(=O)OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 736839048 NTSXCOWIBYPAFO-UHFFFAOYSA-N 421.475 0.561 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 741591130 LZJWKFJFHKBGKF-HIFRSBDPSA-N 413.521 0.539 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 742393940 VZEYLIDUXAVBTA-UHFFFAOYSA-N 413.459 0.390 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745354039 RPXPJEDLXJVXIR-AAEUAGOBSA-N 413.500 0.255 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCn1ccc([N+](=O)[O-])n1 748101451 FAPOUVRDAITAOY-UHFFFAOYSA-N 407.408 0.853 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(CCS(C)(=O)=O)C2CC2)ccc1F 753747700 IHYTVJNRXCUCCS-UHFFFAOYSA-N 404.485 0.939 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(Br)c1 753787824 CFQRQVGCJVBASO-UHFFFAOYSA-N 403.261 0.493 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 755554273 SZGGTTBCEAYWRS-KGLIPLIRSA-N 420.470 0.733 30 20 HCED Cc1nn(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c(=S)n1CC(=O)N(C)C 756875748 KAGKDPSMQPDTEG-ZDUSSCGKSA-N 415.527 0.641 30 20 HCED CCn1cc(C#N)c(=O)n(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)c1=O 758207563 AFSFJAJRAYFFIE-SFHVURJKSA-N 413.478 0.093 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1 760006597 FZVOKTYICRVFFL-HSIYFOILSA-N 423.495 0.654 30 20 HCED C#C[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 766375755 RMVVLYSHTFJPJE-OAHLLOKOSA-N 408.476 0.873 30 20 HCED O=C(O)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 769527338 WANONQLKADLMOS-AWEZNQCLSA-N 409.464 0.598 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)c2nccn2C)C1=O 771639147 ZFNBSENQRCCVPM-ODXCJYRJSA-N 409.402 0.787 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O 771748488 XDZIMIAUAFHEKE-QWHCGFSZSA-N 408.455 0.820 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 773492611 OOFYOKGCECSWGM-AWEZNQCLSA-N 411.418 0.879 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@](N)(c2ccccc2OC)C(F)(F)F)CC1 776139694 RVFLBPXHIVEEGU-GOSISDBHSA-N 412.412 0.305 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCCC1 779315344 RWDIVTPIKMJREK-UHFFFAOYSA-N 411.461 0.361 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)cc1C 788327040 AAWCOUKSEDMXQC-WUKNDPDISA-N 414.418 0.671 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 790843278 STUMTZJUAXIJFU-UHFFFAOYSA-N 415.468 0.883 30 20 HCED C#CCN(C)CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 792301191 CPTPHTKFSJRGSH-UHFFFAOYSA-N 413.478 0.514 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3c(C)nn(C)c3C)CC2)o1 793112431 MNMKBMINCYHRJS-UHFFFAOYSA-N 406.468 0.927 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 799287299 OHPMICFMUCDRPI-LJQANCHMSA-N 400.479 0.180 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 800365192 VSBJOTJLKJGOBP-CYBMUJFWSA-N 413.521 0.541 30 20 HCED C#C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(Cl)cc1F 804418026 AGOKTRHVDYRCKL-ZDUSSCGKSA-N 412.830 0.675 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)n1 807066289 IRIUSMHLVZJCIX-UHFFFAOYSA-N 421.454 0.551 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)nc1 808148430 XFAKSDPRARYLBH-INIZCTEOSA-N 424.436 0.932 30 20 HCED COCCc1nc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 811136317 AVLVTVOOTGRWHQ-NSHDSACASA-N 408.436 0.819 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 916871438 WBPOUKMQZDEDGS-PBHICJAKSA-N 413.430 0.937 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 918391864 QBLCWTIJYHQUHE-UHFFFAOYSA-N 424.486 0.731 30 20 HCED O=C(N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1083663178 BEKMMLNYDUHTTN-MVBLQPKNSA-N 404.894 0.904 30 20 HCED C[C@@H]1CN(c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)CCO1 1116044726 KKNAEAJEIMDAQJ-ORIGZDJFSA-N 414.466 0.632 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1137705192 IHJQUESEABKXBD-LBPRGKRZSA-N 402.270 0.850 30 20 HCED N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC(=O)N2CCOCC2)c1 1316531373 ODRXURSAHOEYNQ-KRWDZBQOSA-N 423.477 0.377 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1326089991 KFUCIXLPKZGCMI-SYWZAZHRSA-N 402.451 0.070 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)CC#Cc4ccccc4)CC3)ncnc21 1333030343 YPCNWSGBYOOIBH-UHFFFAOYSA-N 418.457 0.997 30 20 HCED Cc1cc(NC(=O)CNC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1Br 1443049347 QQNZXZCWCQGNFU-UHFFFAOYSA-N 420.223 0.646 30 20 HCED N#CC[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1444636938 JQPCJARYJPNTGL-QZTJIDSGSA-N 418.519 0.131 30 20 HCED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1503863430 NNBFBEBEJJFUNH-UWJYYQICSA-N 410.478 0.883 30 20 HCED C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1541832553 NXRSHYRXNFSBLI-INIZCTEOSA-N 401.515 0.975 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1555200864 JWVJREIBDMLURY-UHFFFAOYSA-N 421.465 0.403 30 20 HCED Cc1noc(CCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)n1 1612642614 OQPGCBGPAXBXGU-CQSZACIVSA-N 400.443 0.454 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C 1692761320 JPHFBXUOBPQBAF-QWHCGFSZSA-N 413.548 0.931 30 20 HCED CC(=O)N1CCN(CCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1706006127 YSPMSMGVDLRTHR-ZWKOTPCHSA-N 417.514 0.413 30 20 HCED CC(C)(O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706200831 SQVAQSDFMLYPQD-MRXNPFEDSA-N 424.509 0.983 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1706748033 SEARMFCPCMOKRL-WDEREUQCSA-N 422.433 0.597 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1722910406 SCVPHAOGYAESPZ-INIZCTEOSA-N 421.571 0.788 30 20 HCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1771119507 RCGUOPPSVGABCW-PBHICJAKSA-N 412.516 0.387 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnoc2COC)C1 1778341473 GPNZOQWIJBQTRY-RRMPHLOHSA-N 419.478 0.987 30 20 HCED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134883 PJBBAGGXJRNUTG-KQBANSRISA-N 415.450 0.584 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779253751 JSKHVMRKAJOAAX-ZBFJZESZSA-N 418.494 0.833 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781395858 COSWMQFVNDFZEN-ZRGWGRIASA-N 411.503 0.325 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4c3)C2)C1 1782380730 NWMLZHHLMMUDNH-LXHZQTKUSA-N 423.473 0.636 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1)C(F)(F)F 1782679284 JMAHOVNKRSVDHA-MRXNPFEDSA-N 416.356 0.509 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC(F)F)cc1)CCO2 1783563351 OVHPMKCPESFHOB-LJQANCHMSA-N 408.357 0.820 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21 1784483747 KIVIEZHQZVFIBN-DUPRYPCISA-N 410.474 0.966 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)NCC)C[C@@H]21 1785016782 PRABZSGNXYHWQZ-VGWMRTNUSA-N 412.556 0.593 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccnc3)[C@H]2C1 1786162383 PVGLGHSGWZDVCT-BJLQDIEVSA-N 423.473 0.813 30 20 HCED CC(C)CNC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858311 PEMSOIQDQHCODI-ULQDDVLXSA-N 421.542 0.020 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnn(C)c3)[C@H]2C1 1787009130 SRUHNJPRBGPQOM-WNHJNPCNSA-N 404.511 0.924 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1788572376 CZFSJDQJDSTABD-LEUOFYLZSA-N 404.511 0.515 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccncc3O)[C@H]2C1 1788826380 UZFITTBXRBKYPL-ZVZYQTTQSA-N 417.462 0.890 30 20 HCED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1789876465 CUEMFKDTDPYONR-KNTRFNDTSA-N 412.490 0.605 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCS4(=O)=O)[C@H]3C2)CCC1 1790751317 YNFYHRTWRCXQCO-VGWMRTNUSA-N 409.508 0.237 30 20 HCED 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O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442040616 FWSIDFOWEPQNAW-GOSISDBHSA-N 402.410 0.788 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)Nc3ccc(C#N)cc3)no2)cn1 442348790 WZKWIMHDBLIOIE-HNNXBMFYSA-N 407.390 0.880 30 20 HCED CN(CCC#N)S(=O)(=O)NC[C@H](CC(C)(C)C)NS(=O)(=O)N(C)CCC#N 443230211 WUNKVIGAPLSKLD-AWEZNQCLSA-N 422.577 0.151 30 20 HCED CNS(=O)(=O)NC1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 463201418 FFWCNFZTECCXNW-AWEZNQCLSA-N 411.503 0.979 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N[C@@H](C(=O)Nc2cc[nH]n2)c2ccccc2)cc1 463324960 DPNAQCMLJUBWRV-LJQANCHMSA-N 402.414 1.507 30 20 HCED N#Cc1cccc(CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 466828556 YRZOLKMOKDEKOC-UHFFFAOYSA-N 403.464 0.946 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(CCC#N)CCN3CCOCC3)CC2)o1 471220429 NMYSZIKEOUYLKX-UHFFFAOYSA-N 415.498 0.051 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)cn1 472638232 PDDJWKQUSJRTEK-ORAYPTAESA-N 411.443 0.475 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 480493586 LBWBZLFDXCRIEL-LBPRGKRZSA-N 416.463 0.339 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 482197718 IVYBKQPAXGRQSL-RDJZCZTQSA-N 420.535 0.842 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1ccc(F)cc1 483113425 JRDLDLNBRBJWRH-XJKSGUPXSA-N 421.450 0.920 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486487952 MRXVZPSBKVIUFW-KRWDZBQOSA-N 421.523 0.630 30 20 HCED COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c[nH]1 486619724 IRDYZYOPRKYXCM-HNNXBMFYSA-N 402.432 0.752 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 492220409 WOODPYQRWUVCQK-UHFFFAOYSA-N 423.491 0.526 30 20 HCED COCCNC(=O)CNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 497316132 ZSZUONJKODJPAV-UHFFFAOYSA-N 400.395 0.864 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 498193464 AMEXWELRFDWMSE-IRXDYDNUSA-N 420.535 0.989 30 20 HCED COCCn1nnc2c1CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 499126456 LFHDDVBVGUADAP-UHFFFAOYSA-N 418.479 0.315 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 502569061 JUZIUTXSSHTKIG-UHFFFAOYSA-N 423.473 0.698 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)cs1 503555230 GKIOIXASCWKFPU-UHFFFAOYSA-N 419.488 0.795 30 20 HCED N#CCCN(CCC#N)C(=O)CNc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 506217106 IKRKBPDDWFYZNO-QGZVFWFLSA-N 419.507 0.900 30 20 HCED Cc1nc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)sc1C 507533591 RMOBNQRTHURXKP-UHFFFAOYSA-N 401.496 0.639 30 20 HCED COCCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 508799125 ASYSRXRTBXVJGT-UHFFFAOYSA-N 410.478 0.573 30 20 HCED Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)NCC#N 508942984 VBWQYPPZVDUMKU-KRWDZBQOSA-N 423.477 0.333 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C1 519291365 WYZZIASUNKTMAU-GDBMZVCRSA-N 420.491 0.797 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1=O 522250666 ZMCQJCFMQPHCIE-UHFFFAOYSA-N 406.420 0.043 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCCSC 530893027 VNZHVOMOFFLCFO-UHFFFAOYSA-N 404.542 0.845 30 20 HCED Cc1cc(NC(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)n(CCC#N)n1 533453845 CSKAGXFWRZBQED-UHFFFAOYSA-N 424.508 0.542 30 20 HCED CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCO[C@@H](C#N)C3)ccc21 536541146 IEOBZKCJUVRKDV-ZDUSSCGKSA-N 400.439 0.707 30 20 HCED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)c[nH]1 539806325 OZKMHHMZBBRNEB-UHFFFAOYSA-N 400.420 0.615 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1C 544724810 IVTXWKPSGFQLRN-UHFFFAOYSA-N 415.471 0.603 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 551601210 GZJMWHISSZVEQX-YOEHRIQHSA-N 413.478 0.591 30 20 HCED C[C@H](O)CN(C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H](C)CO 553807136 AGFVMFYEJFVGMV-DZKIICNBSA-N 406.458 0.373 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 561307794 ZHDWSVVULISNJU-UHFFFAOYSA-N 421.454 0.779 30 20 HCED CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566649579 JLNZXRZHSTXFCP-NJAFHUGGSA-N 406.508 0.547 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCN3CCSCC3)C2=O)cc1 570878580 ADUXQCWAOSVSKO-QGZVFWFLSA-N 415.519 0.335 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1O 571109573 GSOGAYKKCRVLGL-UHFFFAOYSA-N 412.450 0.279 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@]4(CCSC4)C3)CC2)nc1 572443503 NYJTTZVHPCCTST-OXQOHEQNSA-N 415.519 0.773 30 20 HCED CN(C)CCOc1cnccc1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 573013543 QPQQFTBHTYHTMX-UHFFFAOYSA-N 413.482 1.100 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 577554670 BSNWXIGNLMSRDT-MRXNPFEDSA-N 423.452 0.531 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)CC2)c1C#N 577652612 RRYNNLWHWURQRH-NVXWUHKLSA-N 402.499 0.569 30 20 HCED CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 589422249 DHPMSTYWPQRPME-SWLSCSKDSA-N 400.439 0.352 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC(C)C 604120124 ZRYPIYNVYYHDGM-UHFFFAOYSA-N 419.528 0.218 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 604169157 QHAABGLCPWVUMG-UHFFFAOYSA-N 413.459 0.644 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 605252664 WTGWNDFKDRIILT-INIZCTEOSA-N 410.434 0.196 30 20 HCED CN1CCN(C(=O)c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)CC1 608889859 LMHNHRHLUHCXOO-UHFFFAOYSA-N 419.485 0.992 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 610083414 CMXTXHPPSSCVJQ-UHFFFAOYSA-N 416.434 0.748 30 20 HCED Cc1nc([C@@H]2COCCN2C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)no1 615412870 GZWFHISBRSIEIK-AWEZNQCLSA-N 422.405 0.677 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 615628747 XNIZGCJLUMXTTR-HXPMCKFVSA-N 404.398 0.771 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCCOC2)c1 730072729 JDGGHMCSROAMSZ-FJGOLAJPSA-N 408.480 0.733 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 733150354 IVXMCEYUZNGVQE-UHFFFAOYSA-N 418.881 0.349 30 20 HCED C[C@H](CC(=O)NCc1cccc(C(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742525475 CQBLTFGBOULWNL-GFCCVEGCSA-N 400.460 0.919 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cc1 744038878 BIKYFJPBWMTLPE-OAHLLOKOSA-N 414.443 0.905 30 20 HCED N#Cc1nnc2ccccc2c1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 747227676 VMKJNPDQPLJUPS-CYBMUJFWSA-N 421.504 0.140 30 20 HCED C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 747403964 DLKOXMHEBDLXMG-UHFFFAOYSA-N 421.519 0.746 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CCO)C2CC2)c1 749747330 ZBBJAHSPWXAIAP-VBUUPXLYSA-N 422.507 0.715 30 20 HCED CC[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)N1CCOCC1 758574351 SZHWJXVDMJMRCQ-SOUVJXGZSA-N 409.487 0.682 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2nc3ccc(C)cc3s2)CC1 761031195 PDYAYJSNYRYJED-UHFFFAOYSA-N 407.521 0.628 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 761031681 AKORFCJBLAIYDZ-IBGZPJMESA-N 404.536 0.825 30 20 HCED CN(C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761059907 JSNDNEPCJMBZHD-UHFFFAOYSA-N 419.457 0.583 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 770425746 YLRCJPKYLZOHAH-LJQANCHMSA-N 412.490 0.539 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCn2c(nnc2-c2ccccc2)C1)c1cc[nH]n1 772333880 XPTUHQMDBQODKQ-UHFFFAOYSA-N 423.433 0.994 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C)[C@@H]1CCCO1 774865765 UFUOIHYOCWKAQF-BBWFWOEESA-N 403.479 0.720 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnccc2N(C)C)CC1 776186602 PDBOKWALZPLHES-UHFFFAOYSA-N 403.512 0.925 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777451949 RCMNHNWGDRFSLS-OAHLLOKOSA-N 424.548 0.954 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)c1 783458408 FQYHKHFCABSXIF-UHFFFAOYSA-N 419.441 0.887 30 20 HCED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 784538239 BNHIKQYIAWCVLK-UHFFFAOYSA-N 409.493 0.357 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 787755742 NBJQKNZQZDNXRI-OAHLLOKOSA-N 408.466 0.883 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)CC)c1cc[nH]n1 789965079 DADRGOPOXIRTQX-WCQYABFASA-N 411.484 0.510 30 20 HCED C=CCn1c(-c2cnccn2)nn(CN(C)[C@H]2CCN(S(C)(=O)=O)C2)c1=S 793591754 SQIKIZXFKNEWKX-ZDUSSCGKSA-N 409.541 0.980 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2N)c1 800235397 WMHFZINLNIVITP-UHFFFAOYSA-N 402.432 0.278 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)[C@@H]1CCCO1 805009013 DCMHNIBROYDQQH-QUCCMNQESA-N 416.497 0.881 30 20 HCED C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 805969144 WIRJKGARSIAETR-VQIMIIECSA-N 400.479 0.907 30 20 HCED C=CCN(C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C(C)C 806411792 CTOSOMSHPLFSPE-UHFFFAOYSA-N 422.551 0.662 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)[C@@H]1CCCO1 809311790 ZREPUSVQBLSTSH-ROUUACIJSA-N 401.438 0.844 30 20 HCED CCC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813982925 ZMFVNRPHBSZUOA-UHFFFAOYSA-N 419.463 0.649 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c1 813984622 YNNKQCMGSKIAST-UHFFFAOYSA-N 409.383 0.914 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 814180335 GYEWPGSVTNLJOA-ZACQAIPSSA-N 424.542 0.751 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCN(O)C3=O)c2)C[C@@H](C)O1 816755041 RSOQWXWSACVNIU-IOASZLSFSA-N 411.480 0.595 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 853146229 YXDWQEUHHRQYQT-UONOGXRCSA-N 413.496 0.508 30 20 HCED N#Cc1cccc(OCC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 916159584 LMVMRQIOIINSIW-UHFFFAOYSA-N 400.460 0.933 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 916892527 MMELKUWJTKSJBM-XJKSGUPXSA-N 411.455 0.698 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)n(C)c1=O 999317065 RYGKUFMOVDVTLD-IMPIEMTGSA-N 403.483 0.120 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c(C)c[nH]c1CC(N)=O 1006588721 ORCXEUSOMAITNJ-VJDWVQAOSA-N 400.479 0.804 30 20 HCED C=C(Cl)CN1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@@H]2CS(=O)(=O)C[C@@H]21 1094648600 ZPVLXCBOHCHBOQ-RFBLXINOSA-N 404.916 0.100 30 20 HCED N#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1171874737 RERNCVARTVLOAJ-UHFFFAOYSA-N 412.537 0.565 30 20 HCED COc1ncc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1C#N 1220040625 YRDRVNJYWQAHCY-UHFFFAOYSA-N 410.438 0.612 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 1292704230 QXFJHOVJMCONQH-ZWKOTPCHSA-N 417.485 0.421 30 20 HCED Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cc(CO)nn1 1304859845 RJYIRUCPGKQIKL-UHFFFAOYSA-N 421.509 0.955 30 20 HCED COC(=O)[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1318227871 YMOIEGOLPWFXSY-LJQANCHMSA-N 401.444 0.930 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1319507089 XFOVFMXFUBEYTI-OAHLLOKOSA-N 404.492 0.841 30 20 HCED CCN(CC)C(=O)CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1515481411 YQWCGNIAIIWAHZ-MRXNPFEDSA-N 417.514 0.778 30 20 HCED CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1620134404 RCUDXPRTMOSXLX-MRXNPFEDSA-N 420.495 0.503 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1 1625108707 TUJXEVHMFHXWKR-OWQGQXMQSA-N 417.491 0.995 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)CC1 1634489720 LCBGXXKXWYMLHI-FHERZECASA-N 407.496 0.675 30 20 HCED CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1708921824 STAUDEVMHJNMGI-INIZCTEOSA-N 404.496 0.785 30 20 HCED CN(C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1711004493 RMYTXKYEKIRXKN-KXBFYZLASA-N 419.555 0.567 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)C1 1731184076 ZOGCDPAUYABARR-ROUUACIJSA-N 420.470 0.863 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1778970231 YIKDGANPJVEPCQ-KXBFYZLASA-N 410.902 0.940 30 20 HCED 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CC(=O)NCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836171604 RHVRQGLDQLDJRS-UHFFFAOYSA-N 414.510 0.598 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cnccc4[nH]3)CCO2)C1 1837106169 NXWYBXUIZOUZEC-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837171704 YJGFVSOCGRMNJT-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837973881 JRWPDFHFJFFDMR-HRAATJIYSA-N 417.462 0.199 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1839223558 ZSLQIZKVKYMRPE-JXFKEZNVSA-N 421.498 0.600 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1839223692 DYFKIEBYQZDWNY-OXQOHEQNSA-N 421.498 0.599 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oncc3C)C2)C1 1839227765 XUENTZKJDGDXDW-BEFAXECRSA-N 408.455 0.854 30 20 HCED Cc1ccc(C(=O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1840099989 NJXINOKAIWBSAG-YWZLYKJASA-N 406.504 0.952 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840325368 VLJHZSKMEFQETO-HRAATJIYSA-N 420.510 0.372 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1COc3ccccc3O1)C2 1841054178 UTKGVLZGDGCULA-CNZFZVQHSA-N 411.458 0.888 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CC(=O)Nc2cc(C)on2)C1 1843399559 TVUWDRPYGYJRKM-WAYWQWQTSA-N 415.450 0.373 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)N1CCN(C)CC1 1844259672 QVQJIGQOHGWMKA-GNFOSXPUSA-N 404.559 0.297 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)CN1C(=O)C=CC1=O)C2 1846981015 MIQQBQVYQKOSFX-UHFFFAOYSA-N 408.414 0.065 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1cccnc1 1848138254 JKIBLRPRNIBESL-IRXDYDNUSA-N 414.462 0.523 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)NC(=O)NCC(F)(F)F)CC1 29249472 COHPTLDNVIJSQV-UHFFFAOYSA-N 400.361 0.934 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 47293500 AIOGGFFGFBQTPW-UHFFFAOYSA-N 415.478 0.073 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CCC(C#N)CC2)c(=O)[nH]c1=O 60893254 QJRGARLTWXBVFT-AWEZNQCLSA-N 420.514 0.522 30 20 HCED COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 211508742 QYLYRWZTJYLTTG-ACJLOTCBSA-N 411.480 0.960 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)CCO1 409587243 ULXWIECCDCNXBJ-MRXNPFEDSA-N 412.899 0.957 30 20 HCED CC[C@@H]1CN(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 427857550 IWWILBPBWJRYNE-MRXNPFEDSA-N 411.466 0.613 30 20 HCED C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 433472998 YGWAIADRWIDUGK-OAHLLOKOSA-N 411.491 0.980 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCC1 437129412 GEUXRQBHLPUPKU-NDEPHWFRSA-N 403.439 1.239 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)[C@@H]4CCCC[C@H]43)CC2)o1 438563506 USNBAAOBRGINGI-IAGOWNOFSA-N 421.523 0.545 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(C#N)c2)c1 439349356 BJGDORDKBNJGPG-UHFFFAOYSA-N 415.431 0.160 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1=O 440250903 ABGHDOHYISQCFR-GDBMZVCRSA-N 412.446 0.076 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)C1=O 440258817 RRHRZAYAWWIDOE-HNNXBMFYSA-N 409.450 0.724 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N(C[C@@H](C)C#N)C2CC2)cc1 441929230 WQGHLGFXNZVMLN-ZDUSSCGKSA-N 400.435 0.607 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H]1Cc2ccccc2O1 460586306 NMBPOJAQUWCQBD-MRXNPFEDSA-N 402.414 1.506 30 20 HCED Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465125402 BKPFTJXDJBGQFW-GFCCVEGCSA-N 418.479 0.851 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 467992206 FIZKUXLBUABYMO-UHFFFAOYSA-N 418.479 0.168 30 20 HCED CCN(CC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 475600986 HXYYFVVMLPHLJZ-ZDUSSCGKSA-N 420.413 0.990 30 20 HCED CCO[C@H]1C[C@@](O)(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1(C)C 476845639 CSSRPRKZWRMXCY-QFBILLFUSA-N 409.508 0.861 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccccn2)CC1 479873884 IDCKCLOALLONBG-MRXNPFEDSA-N 413.503 0.964 30 20 HCED COC(=O)[C@H]1C[C@H](OC)CCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 481250912 DIAGQJIAXGKCBL-GDBMZVCRSA-N 405.455 0.156 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3nnc4ccccc4c3=O)C2=O)cc1 486010470 VBACKUZLGCSGMK-GOSISDBHSA-N 402.414 0.580 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](CNS(N)(=O)=O)C1 500218447 IXCLAYJNDBMTFM-CABCVRRESA-N 411.503 0.966 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1=O 500354504 DGKWAWJQJMINLQ-AWEZNQCLSA-N 418.475 0.911 30 20 HCED CN(CC(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 500628812 HGOFDMIVQJPEJY-OAHLLOKOSA-N 413.521 0.604 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC(=O)NCc2ccco2)n1 512931308 HZKGALGFVOQRNK-UHFFFAOYSA-N 410.365 0.847 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@]2(CCO)CCOC2)n1 513316219 MJDSMNHOQNFGDD-IBGZPJMESA-N 401.398 0.727 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513666545 MTBCJKHOYPEOQS-RDNQGFKOSA-N 416.503 0.366 30 20 HCED N#CCSCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 517508222 GPFLBKMOZHGSQL-UHFFFAOYSA-N 410.477 0.107 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1-n1cnnn1 517727798 NCJPHPOGTFPBFB-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CCn1c(CCC(=O)N2CCO[C@H](C#N)C2)nc2cc(S(=O)(=O)N(C)C)ccc21 517986074 RLUXFABPCXLTKH-CQSZACIVSA-N 419.507 0.990 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H](O)[C@H]2CCOC2)ccc1OCC(F)(F)F 523064199 QJNKOZWZIBSWEW-GWCFXTLKSA-N 401.341 0.951 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)ccc2F)c1=O 523975048 WVRZHRPJBGYRPT-UHFFFAOYSA-N 413.474 0.905 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(F)cc(F)c2)c1=O 535138827 QVHPOUIAUZQEAU-UHFFFAOYSA-N 407.442 0.864 30 20 HCED C[C@@H]1[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 540052847 LEONWBAWZQEGLX-IAGOWNOFSA-N 419.551 0.416 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 550466291 RHHNETQFRHHYLS-ZBFHGGJFSA-N 401.529 0.404 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)cn3)C2=O)c1 550869748 PIFFXPOLYGOLPS-MRXNPFEDSA-N 409.402 0.831 30 20 HCED CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCCn1cnc(C#N)n1 552120198 ZWYGCHCVMHMLFO-HXUWFJFHSA-N 407.434 0.655 30 20 HCED CNc1ccc(C#N)cc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 552239272 SWQXSBJZWZTICF-UHFFFAOYSA-N 413.459 0.973 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 555237482 BKTNAKWLQYEYCS-UHFFFAOYSA-N 415.542 0.835 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)NCCn2cnc(C#N)n2)(c2ccccc2)CC1 557653882 QZLIYZVXKFNAJJ-UHFFFAOYSA-N 416.507 0.649 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 604168878 LFSGFBPRTVWRMW-UHFFFAOYSA-N 419.445 0.770 30 20 HCED COCC(=O)NC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 609085904 PQADWNWOOXCCEI-UHFFFAOYSA-N 410.377 0.852 30 20 HCED CCc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 609330843 YYKUEKLPXDHHEJ-UHFFFAOYSA-N 420.535 0.988 30 20 HCED COc1cc(CNC(=O)NC2CCN(CC#N)CC2)ccc1OCC(=O)N(C)C 609335812 IFYUNAGMLLLJSR-UHFFFAOYSA-N 403.483 0.949 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 610291959 IIMXLEDOIOXNIX-SMOSDQRPSA-N 423.473 0.591 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@](C)(C#N)C2)CC1 612163589 SGOGEARFWGTXGX-GOSISDBHSA-N 409.512 0.750 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccccc2OC)CC1 673250165 MLXFKFKSOQLFBD-MRXNPFEDSA-N 418.494 0.025 30 20 HCED C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 683879530 RTAYOYXCXTUZRU-INIZCTEOSA-N 421.523 0.669 30 20 HCED Cn1cc(N2CC[C@@H](OC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)cn1 732317716 CECLWJNLZICMTE-MRXNPFEDSA-N 417.447 0.574 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2noc(CCC(=O)OC)n2)cc1 733430502 IPFNZPFOMKAHFV-UHFFFAOYSA-N 407.404 0.444 30 20 HCED CN1C(=O)C(=O)N(CC(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)C1=O 733566624 OQIRKNOJIRSNEX-UHFFFAOYSA-N 406.782 0.550 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744022952 BWEACOIUWFQMDG-UKRRQHHQSA-N 420.491 0.755 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1 746362998 GOEJONDVWOVIIX-UHFFFAOYSA-N 413.413 0.267 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCC(=O)NC(N)=O)c1 747249432 OBOSGPWAEHUSRQ-FYJGNVAPSA-N 410.456 0.206 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](CC(=O)OC)C2)cc1C#N 752406631 ZWOBIOWDQNPGQO-AWEZNQCLSA-N 418.406 0.856 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCOC)cc1 756226452 IBUSMYNULCFQGS-KRWDZBQOSA-N 409.508 0.505 30 20 HCED COC(=O)c1coc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 758083797 NKIHYOSODJPXKC-UHFFFAOYSA-N 407.452 0.843 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)CCOc2cc(C)cc(C)c2)CC1 761036297 FPPPHSIBWZGDEB-UHFFFAOYSA-N 422.551 0.226 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1ccccn1 763460620 LAKVCNPOJJGZKY-UHFFFAOYSA-N 421.526 0.915 30 20 HCED Cn1ccnc1[C@H](O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 772571221 CQXXINJQXVWZIB-QGZVFWFLSA-N 417.491 0.431 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 777829054 GPAOIODXFNSOBL-HIFRSBDPSA-N 423.491 0.420 30 20 HCED N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 780203361 BNTRIHXSYZYNHI-SFHVURJKSA-N 417.443 0.141 30 20 HCED Cn1nnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 783005466 CMOPANBPWXLNKY-ITZAQCPESA-N 414.495 0.317 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc2c(cc1SC)OCCO2)[C@@H]1CCS(=O)(=O)C1 783481994 SSYTXXIILYDUSC-GFCCVEGCSA-N 424.500 0.767 30 20 HCED CC(C)(C)OC(=O)NC1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787756662 QGTJSZQTFFRBNZ-UHFFFAOYSA-N 416.482 0.997 30 20 HCED CCCN1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 788553764 NAPWRXQLDFORQY-AWEZNQCLSA-N 406.508 0.975 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)n1 789793588 NPFZJMGOTSMBRW-UHFFFAOYSA-N 407.427 0.290 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 793212548 PVBKNHLWKSCRDH-OAHLLOKOSA-N 411.505 0.980 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 799288152 WKLPIBXQPPMUSA-GOSISDBHSA-N 400.479 0.180 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2CC(NS(C)(=O)=O)C2)C1 802291676 BFCMJGVJCRAPBI-WTIISPKJSA-N 401.489 0.125 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 807337542 RPEMQRHXAOZGIP-IBGZPJMESA-N 409.490 0.905 30 20 HCED C#CCN=c1nc(N2CC[C@]3(CCN(C)C3)C2)[nH]c(N2CC[C@]3(CCN(C)C3)C2)n1 813635013 ZKWWAUADDZAJFK-VXKWHMMOSA-N 410.570 0.403 30 20 HCED CCN1CCN(CC(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)C(=O)C1=O 919148593 XUWQKRVBXXLJPO-UHFFFAOYSA-N 420.853 0.821 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 919804200 ANOFAHUTGJVNOP-UHFFFAOYSA-N 414.491 0.409 30 20 HCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC(=O)N1C 1305152119 XJJRSZLKGCDFEA-OAHLLOKOSA-N 423.477 0.342 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1314530725 KHSVYPFUVHDAOQ-UHFFFAOYSA-N 407.521 0.820 30 20 HCED C#CCOCCN(C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1319772849 FDGQDKJUEBPFTR-UHFFFAOYSA-N 409.508 0.536 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](CC(N)=O)C3)CC2)cc1 1325432478 SCLZTKQFAXJLFR-HNNXBMFYSA-N 404.492 0.683 30 20 HCED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)CC1CC1 1335587653 HIFSAHWBBJWPCL-UHFFFAOYSA-N 420.491 0.773 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1 1342971179 SJLQEYUEQPHHLW-UHFFFAOYSA-N 418.515 0.998 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359142695 MQOHPTNSDNOOHY-TZMCWYRMSA-N 418.951 0.945 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1359150905 ITHHMKNHJYZZGE-GFCCVEGCSA-N 422.960 0.946 30 20 HCED CC(C)(C)OC(=O)CCN(C1CCOCC1)S(=O)(=O)N1CCO[C@H](C#N)C1 1475434457 SCYXAMYMDWYKLQ-OAHLLOKOSA-N 403.501 0.668 30 20 HCED COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)OC 1504599873 VZMDNKPIMLLSMQ-INIZCTEOSA-N 400.439 0.326 30 20 HCED Cc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n[nH]1 1511566879 PQFKFGWZHUSVNX-HNNXBMFYSA-N 412.502 0.262 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c1 1540583535 YPMHAWUYGXEKOW-OLZOCXBDSA-N 402.398 0.825 30 20 HCED N#Cc1ccsc1NC(=O)CN1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1615172504 NGUDUNNZMYMBTC-UHFFFAOYSA-N 403.508 0.994 30 20 HCED CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1617585945 QQYHURBPQFMSHT-QGZVFWFLSA-N 422.493 0.899 30 20 HCED N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1620358642 ZPWBRIKHPDXMGM-SFHVURJKSA-N 417.495 0.415 30 20 HCED CN(C)CC1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1620462876 OIKQYSURVUWMDR-HXUWFJFHSA-N 417.529 0.923 30 20 HCED CC(C)OC(=O)CNC(=O)[C@H](C)SCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1641198901 RKWMFOQOTAVQAZ-JKSUJKDBSA-N 412.556 0.868 30 20 HCED 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30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1830064362 JNEVMVMHSKPJMN-NRFANRHFSA-N 401.463 0.941 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)cc1 1830586897 ZPAOLRFXGFFLHG-OBFZPWGMSA-N 413.474 0.594 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1831492916 OLUMQRHXLNXCMQ-UWVAXJGDSA-N 413.584 0.739 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1831674069 SZASVGYSRARIJL-HZPDHXFCSA-N 410.492 0.271 30 20 HCED CN(CC(=O)N1CCC([C@H]2CCCCN2C(=O)C2(C#N)CCC2)CC1)C(=O)C(=O)O 1832788599 XVQIUFURDJYVPI-MRXNPFEDSA-N 418.494 0.843 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)NC(=O)OCC)CC3)CC2)C1 1833049668 OOOXOSHHJQBXJY-IBGZPJMESA-N 422.526 0.589 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(C)nn(-c3ccccc3)c1O)CCO2 1833413317 FIGKFOZZLOAAJW-QFIPXVFZSA-N 424.457 0.590 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OCC)cn1)CCO2 1833438820 SZRDQQSVBPMIFO-FQEVSTJZSA-N 402.451 0.359 30 20 HCED 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Cc1nn(C)c(C)c1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836958615 DGPROQGSKPQLDX-UHFFFAOYSA-N 416.478 0.737 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836973652 YOJYBNOXHPVHFT-NRFANRHFSA-N 416.478 0.539 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837091760 MLHQURXKDIPMDK-HXUWFJFHSA-N 420.535 0.819 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)[C@@H](O)C=C)CCO2 1837392284 ADRGUTXUFPGTBB-WWMYMODYSA-N 408.495 0.054 30 20 HCED CC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489295 CHASZWDJKVQDBX-HXUWFJFHSA-N 414.449 0.797 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838425219 DXSWEMRVYILQIP-HNNXBMFYSA-N 421.494 0.378 30 20 HCED CN(C)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595078 FWOOBMDQYZMAPD-HXUWFJFHSA-N 420.897 0.843 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1839228920 SNQNRMBDLQHZKP-WXVIEYATSA-N 419.482 0.680 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839360981 KDZFPABLDHMTHF-WIYYLYMNSA-N 401.463 0.594 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC(N)=O)C3)C2)cc1 1839363340 FRGLXJGMZJHLEZ-OAQYLSRUSA-N 414.462 0.088 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645321 ADKKLCINGVCAAX-JVVYVMHDSA-N 411.524 0.402 30 20 HCED CC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840041384 KBFMHFRSFPOYQI-XMSQKQJNSA-N 414.458 0.725 30 20 HCED C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042386 RVNUGTZUQHMVBI-IIBYNOLFSA-N 415.446 0.031 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840204618 URVIAFUZLZZEAM-KKSFZXQISA-N 401.463 0.592 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840355894 NKVBZLOHOMWUKN-OAQYLSRUSA-N 417.510 0.893 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cncn3)CCO2)C1 1840421341 PECGSKYGQQHVBX-WMLDXEAASA-N 413.425 0.507 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840428816 YHKSRLKDSVDBON-LAUBAEHRSA-N 401.463 0.719 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840816545 ZOCCSIKDVPYEHH-UWJYYQICSA-N 415.494 0.903 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2)[C@@H]1SC(=N)NC1=O 1843407908 ZPSPBSWIVDVJPC-GWCFXTLKSA-N 400.464 0.506 30 20 HCED COCCn1nccc1C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2 1843508834 GOBFYXDKFSULCB-UHFFFAOYSA-N 402.499 0.628 30 20 HCED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)CC1 1844282809 JPVZWPZNNYBMFB-UHFFFAOYSA-N 402.539 0.136 30 20 HCED CS(=O)(=O)CCC(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845204178 QADWAFZTUFIXDE-UHFFFAOYSA-N 407.467 0.878 30 20 HCED Cc1c(Br)c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)nn1C 1846196116 NSKPSGAOUZQYHS-UHFFFAOYSA-N 409.240 0.396 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846202292 BPNAVSZNQUKLPB-AWEZNQCLSA-N 405.451 0.677 30 20 HCED CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 30196154 WBZSVDMQJLNUKE-UHFFFAOYSA-N 406.508 0.502 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cc(F)ccc1N1CCN(C)CC1 410138986 AMSZQGISAMDOJK-GOEBONIOSA-N 411.503 0.697 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1C 435201801 IRFDAGCZKGICLQ-UHFFFAOYSA-N 417.487 0.038 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 437417716 DJADRYVYPBDWQJ-AWEZNQCLSA-N 408.480 0.654 30 20 HCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C1 438310544 BCLCWANAEZKDGU-CALCHBBNSA-N 401.515 1.451 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cn1 438772720 ASFAFHDWSYTOTO-UHFFFAOYSA-N 406.420 0.936 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 441590805 QLAKPSQCWRQDRY-KRWDZBQOSA-N 407.430 0.216 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 442402962 QIGSOKOWTPDNPD-UHFFFAOYSA-N 423.491 0.832 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)no1 443974738 WKQZBPLJDCPTHS-UHFFFAOYSA-N 403.464 1.108 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(O[C@H]2CCOC2)CC1 460693269 ANPJDKPVRGPWRC-KRWDZBQOSA-N 424.461 1.182 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 464285505 VPTKTJSNVDWEIP-MEDUHNTESA-N 404.423 0.707 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCNC(=O)C1CCC1 470018779 ALLMMKAABPJANU-CQSZACIVSA-N 406.508 0.990 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCCO[C@H](C)C1 470067549 QOFKDMAFYIHPMX-CVEARBPZSA-N 408.524 0.842 30 20 HCED COC[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)OC 471046427 BFKDOBUMMXFKGR-MRXNPFEDSA-N 402.451 0.986 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCCN(c2ccccc2C#N)CC1 477201893 LDPSMRTZQNMGAV-UHFFFAOYSA-N 408.524 0.941 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@H](O)CN1CCOCC1 478370357 NBSXLGVNMYZREE-KRWDZBQOSA-N 400.483 0.302 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccon1 480965896 XBJGMMBLGUUUSW-UHFFFAOYSA-N 423.479 0.685 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 481146198 VBXKDHUYFOUKCA-DYVFJYSZSA-N 400.460 0.438 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1C(=O)Cc2ccccc21 481291655 LHKSBKSPWAYRMD-CQSZACIVSA-N 412.471 0.931 30 20 HCED Cc1cc(N(CCC#N)C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1Cl 483316275 OIQFKGYTMORNOD-OAHLLOKOSA-N 403.870 0.538 30 20 HCED Cc1cc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)on1 485875713 MAWMLFZHFXBRCT-UHFFFAOYSA-N 410.477 0.691 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486931655 FSTAXQVDIPYUGA-QGZVFWFLSA-N 409.450 0.766 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cnc1C 489023038 ACADLOVXEZEECN-UHFFFAOYSA-N 401.448 0.954 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 502901953 FJABGZSWRDRFFR-UHFFFAOYSA-N 412.471 0.853 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508995376 LCGQHWHCTLBLTQ-MRXNPFEDSA-N 403.531 0.735 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 509634109 BOAXHGYADGHQAN-QWHCGFSZSA-N 406.555 0.827 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 514448083 SGZJJVVTRDLQGI-UHFFFAOYSA-N 406.508 0.502 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1 514523172 UIFIZGIKOVVGFC-OAHLLOKOSA-N 420.494 0.948 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(OC(C)C)nn3)CC2)c1C#N 516985336 NBISEYQAUMDHON-UHFFFAOYSA-N 412.454 0.465 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 523760365 RIRCUJCFPANBEG-OAHLLOKOSA-N 406.508 0.608 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 532702314 WTCZTEXPLQDCGO-QGZVFWFLSA-N 413.522 0.984 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)NCCCCN3CCN(CCO)CC3)cc2C1=O 533932512 GTDHAPPJUYCSDR-UHFFFAOYSA-N 414.506 0.589 30 20 HCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)nc2)cc1 538416590 CIDMETQWHFHYKV-CQSZACIVSA-N 417.472 0.754 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 539176900 BSSCNGBUSFDICM-UHFFFAOYSA-N 412.410 0.926 30 20 HCED C=CCCCN(C)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 550570590 AHDAWNPZKADJKF-UHFFFAOYSA-N 415.537 0.810 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)Nc3sccc3C#N)no2)cn1 556165715 NUWMLYOAUHNYFF-LBPRGKRZSA-N 413.419 0.942 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc2c1OCCCO2 564311878 USVWQISWKXASMA-UHFFFAOYSA-N 412.450 0.732 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 571797962 NQOHXAQVFNXCLC-RDTXWAMCSA-N 424.379 0.301 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 579164953 YSXXQILCFLMZJP-KRWDZBQOSA-N 422.493 0.121 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)c1C#N 584263031 DKNLPUBKKXANCK-JKSUJKDBSA-N 419.507 0.378 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 586765897 QALJELATUXUIQZ-OAHLLOKOSA-N 404.496 0.534 30 20 HCED CN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(C2CC2)C1 588868704 QWSIZWLUSZDXCT-MOPGFXCFSA-N 409.490 0.470 30 20 HCED CCC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CCOC 589471392 DOSSZDWREITKKF-QGZVFWFLSA-N 408.524 0.796 30 20 HCED CCC[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(N)(=O)=O 590419089 BUAIKWIYDXITLV-AWEZNQCLSA-N 407.452 0.912 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C 590983194 KZIRIUVWROIDMB-UHFFFAOYSA-N 419.890 0.899 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C1CC1 590997645 KYKQEIZGQMKMPO-ZDUSSCGKSA-N 413.499 0.907 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 610690334 KNXBDCCVJJYNCC-HOTGVXAUSA-N 405.462 0.829 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCOCC 611078571 JPORTJXLWUQURM-UHFFFAOYSA-N 417.535 0.582 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 618880098 BTFBRGPAHROEHZ-SFHVURJKSA-N 422.445 0.356 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 646557385 LGUXZOQNAOGZKG-UHFFFAOYSA-N 415.475 0.071 30 20 HCED CC(C)(C)N1C[C@@H](C(=O)NCC#CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CC1=O 681338697 FPGNIDDLXHDIRI-HOTGVXAUSA-N 418.538 0.516 30 20 HCED Cn1ncc2c1C[C@@H](C(=O)NCC#CCNC(=O)[C@H]1CCc3cnn(C)c3C1)CC2 684979956 OQBDMYMHBJRCHG-HOTGVXAUSA-N 408.506 0.299 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 728531371 IFIUYHQBILEFCH-HNNXBMFYSA-N 402.882 0.587 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)CC1 728572745 BRNHMYOKNDTQKK-GOSISDBHSA-N 413.522 0.114 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 731888568 WKRVYXTVCIWSHE-ZZEZOPTASA-N 413.409 0.947 30 20 HCED COc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910849 VURBOJGFVCEKNI-CZUORRHYSA-N 419.459 0.014 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1 733148637 GILBWDVXJQGNSF-UHFFFAOYSA-N 404.423 0.266 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@@H](C)C(=O)NC(N)=O 744593150 HOXQQLIHOOYMFL-JEOXALJRSA-N 400.391 0.278 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 748223132 RBDKVIWGBWAHHY-UHFFFAOYSA-N 420.422 0.715 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1 753693909 VADNWLWVCIYLPH-IAGOWNOFSA-N 410.517 0.780 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)N[C@@H](Cc2ccccc2)C1=O 756882796 GCUMOHKXIBEESS-WBVHZDCISA-N 405.462 0.979 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758057392 FWUMIJJSZKKXJT-UHFFFAOYSA-N 422.510 0.921 30 20 HCED COCCc1noc(CN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 758849785 YXVVQNZCQJMAQD-GFCCVEGCSA-N 421.479 0.734 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)OC)C1=O 759508624 ZFBXGBGBSATKPV-ZDUSSCGKSA-N 408.794 0.944 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)c2cccc(Br)c2)CC1 761032493 IRLYLCSTBACQNO-OAHLLOKOSA-N 402.314 0.568 30 20 HCED COCC#CCOC(=O)CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 762756355 SZXBHLRNKPVARW-UHFFFAOYSA-N 411.436 0.666 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCOC 763298782 BXJKTZQYZGFVCY-UHFFFAOYSA-N 407.517 0.656 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 771467952 RIAVUNYXEHTHDL-GXTWGEPZSA-N 403.464 0.525 30 20 HCED C[C@H]1CCC[C@H](N2CCC(=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 771890365 GKWHQVNSQPNIEK-ZFWWWQNUSA-N 411.528 0.393 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCOC3)c2=O)cn1 772312242 SUSVDEHLNKGOPD-CQSZACIVSA-N 413.503 0.271 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O)c1cc[nH]n1 772389855 RQGWGQIJZZEZKH-OAHLLOKOSA-N 405.455 0.743 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(C)COC(C)(C)OC3)CC2)o1 775035848 XPEPBFVLYQRBAS-UHFFFAOYSA-N 406.439 0.836 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)CC1 777920232 OIFJPDPWZSQUNM-UHFFFAOYSA-N 424.435 0.923 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)ccc3cccnc23)CC1 778004032 LBGNRYTXHKOIRH-UHFFFAOYSA-N 400.504 0.989 30 20 HCED N#CC1(NC(=O)COC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CCC1 784210262 KTRWGPDECSSUDO-UXHZXRBQSA-N 424.457 0.895 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 785163527 GQIZKZIILOAOIM-UHFFFAOYSA-N 420.491 0.642 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 786540887 NFMSLFHWZKVIQY-CYBMUJFWSA-N 408.418 0.629 30 20 HCED C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnnn1C 787592888 HPWAKRRIQXVMAG-LBPRGKRZSA-N 404.452 0.787 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)n1 789787086 FHUUPJOYYGZQSZ-UHFFFAOYSA-N 401.423 0.255 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1)c1cc[nH]n1 789987038 PLQQCLZPAXNBTI-OAHLLOKOSA-N 421.498 0.843 30 20 HCED C#CCC[C@@H](O)CNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 799078061 XKRSNPITVOBIRC-MRXNPFEDSA-N 410.492 0.149 30 20 HCED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801291640 WDMFKZRIYNSVGZ-LJQANCHMSA-N 417.477 0.890 30 20 HCED CC1(CCNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)OCCO1 806375907 TUAUCVFZOMCLQQ-UHFFFAOYSA-N 400.479 0.862 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 807064037 BQONBCJZKGZVNQ-KGLIPLIRSA-N 403.435 0.413 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)cn1 808970168 KJUFNHDDQWUSDK-WBVHZDCISA-N 404.386 0.688 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1)[C@H]1CCCO1 809312129 LGBUUNZWHKCZHF-QXSJWSMHSA-N 409.483 0.424 30 20 HCED C#CCCS(=O)(=O)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 810779656 WKUHRHWGWURCGN-UHFFFAOYSA-N 413.249 0.905 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 814541731 SNKPHJNHNLWXIZ-CQSZACIVSA-N 412.464 0.898 30 20 HCED C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 816671911 KZWRPDWJYFDPJB-HNNXBMFYSA-N 408.476 0.374 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 853144558 HLVJZRHPXGYITE-ZIAGYGMSSA-N 411.480 0.284 30 20 HCED COC[C@H](C)NC(=O)NC(=O)COC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 914818434 BSFWSANRBVXGFT-NSHDSACASA-N 416.438 0.554 30 20 HCED C=CCn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 981911744 JLUIQOJFBNTGTD-RNGZQALNSA-N 403.483 0.530 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N[C@H](CO)CN1CCOCC1 1193730317 ONPFMMDYPJQGDI-NSHDSACASA-N 404.286 0.292 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1=O 1213424532 KNDVAWWNUSLDNQ-CQSZACIVSA-N 414.915 0.669 30 20 HCED N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1307604024 RJQWJNCQOHJCFX-ZWKOTPCHSA-N 409.508 0.424 30 20 HCED CCN(C)C(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1313555444 QGFYBCWFKOHXRU-MRXNPFEDSA-N 408.466 0.724 30 20 HCED COC[C@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1320915070 HJWKXPHJWJGNJZ-SMDDNHRTSA-N 402.856 0.955 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 1475306216 WHHPSLPXVUYOQG-MRXNPFEDSA-N 400.526 0.791 30 20 HCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1505124272 QMQKSFSLAUFVBK-APWZRJJASA-N 417.491 0.591 30 20 HCED CN(c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 1517037195 JGDZQPAWIZJGSV-MRXNPFEDSA-N 412.479 0.732 30 20 HCED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1541865344 NPSYJXXLMZZGFF-DNVCBOLYSA-N 405.478 0.563 30 20 HCED COc1ccc(CN2CCC(CNC(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc1 1544448679 LOAZUUPWZQVEMA-UHFFFAOYSA-N 411.462 0.858 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)NC[C@@H]1c1ccccc1 1597154644 UZYRIOZQUKKVOA-RDTXWAMCSA-N 412.471 0.925 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634188755 ZEQZLVBMYHFUEL-OWCLPIDISA-N 406.464 0.165 30 20 HCED C[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H]1CNC(=O)OC(C)(C)C 1634951858 VOBCBJQNBNJVHY-GXTWGEPZSA-N 405.455 0.972 30 20 HCED CN1CC[C@@H](N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)C1=O 1635006674 RONHYSFSIYMRPU-QFBILLFUSA-N 409.490 0.722 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1666285289 YEBPWTUVAUEAQI-UHFFFAOYSA-N 410.471 0.004 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690329610 YOAZPMGOGBFUNQ-QWHCGFSZSA-N 416.935 0.842 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1696058661 SIGVIKWHZYHDBI-RTBURBONSA-N 406.462 0.898 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCOC1 1723931452 NTPAEACMCKBPQQ-SUMWQHHRSA-N 412.516 0.170 30 20 HCED C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1761357052 UNVRUFAXEGMEKK-CQSZACIVSA-N 424.527 0.192 30 20 HCED C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1763217455 LWAOQRMUCHZVGE-KUHUBIRLSA-N 417.491 0.591 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)c1nc[nH]n1 1777774135 QHRXSYZXHSGPSU-OXQOHEQNSA-N 415.494 0.631 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)O1 1778199529 VWMFKUMZKDNMSF-HMDDBDLRSA-N 409.483 0.913 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1779099693 KTOWJCOEJWHNKL-UDJWRJMGSA-N 417.466 0.378 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1779284214 PDRUXZILOQUIRA-KSFYIVLOSA-N 410.474 0.887 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779462735 NPUXBDVMNZZPMD-GNOYLXPGSA-N 403.439 0.449 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780433076 JLVNWZRFQHGLBD-QRWLVFNGSA-N 406.483 0.445 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1CCN(C)CC1 1781096168 PPTIJWGUFUVXQY-RDPSFJRHSA-N 424.545 0.504 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)Cn2ccnn2)CCO3)c(C#N)c1 1781174581 QEEMEICUKOLOAV-OAQYLSRUSA-N 424.461 0.231 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)nn1C 1781394486 ADFMMAWSSXFHGG-KUHUBIRLSA-N 407.471 0.673 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1783046714 NBLYKQDVZOBTGM-QRWLVFNGSA-N 401.488 0.560 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)C34CC(NC(=O)OC(C)(C)C)(C3)C4)C2)C1 1783438335 QVSCWKDQHGCUDW-CBNMVNINSA-N 403.479 0.897 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783958967 TUTAPTNCACIECV-UGSOOPFHSA-N 400.497 0.207 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1784502321 NFUSDADOQWXLBR-MRHSLFKSSA-N 413.478 0.914 30 20 HCED N#Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN)[C@H]3C2)ccc1Br 1786799400 ZHZUWOHMEBITLO-NOLJZWGESA-N 421.295 0.873 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ccc(C(F)(F)F)cn4n3)C[C@@H]21 1790790546 KDEXEMCSVVQJAD-UBHSHLNASA-N 421.379 0.975 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CC[C@H]3C)C2 1793343047 HXAVQPQAIOQDAY-ZURLZEQWSA-N 400.479 0.701 30 20 HCED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793583266 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1807011799 QEROUGIXGFZRCK-NJAFHUGGSA-N 400.527 0.964 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)Cn2nccn2)[C@@H]1c1cccnc1 1808920487 XZBBHFDCZLPNEY-ZTWVJJDTSA-N 423.477 0.238 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cn3ncccc3n2)[C@H]1c1cccnc1 1809356888 ITRAFYOZLWDZNA-MGPUTAFESA-N 418.413 0.532 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)CCc2nc(N)n[nH]2)[C@H]1c1cccnc1 1810146254 JBMCPUKUOBGFPF-WMLDXEAASA-N 410.482 0.970 30 20 HCED C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)N1C[C@H]2C[C@H]2C1 1810163982 VXAMEWZZQPCXMY-JDNANXKCSA-N 410.474 0.516 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccnc1 1812880950 OGPIAIXFQVVQCT-SJKOYZFVSA-N 412.362 0.121 30 20 HCED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)[C@H]1c1cccnc1 1814108533 ZJVLIKKAHLBDEQ-RYQLBKOJSA-N 402.451 0.565 30 20 HCED CN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)NCCC#N)CC2 1814619996 CVNXXZGBRPFOTG-LLVKDONJSA-N 406.512 0.425 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4nonc4c3)sc2C1 1818177633 BPKQDCBUPAWYPO-SNVBAGLBSA-N 411.399 0.993 30 20 HCED COC[C@H](NC(C)=O)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C2(C#N)CC2)[nH]n1 1819607639 IZJRCFWXQPNBCL-GJZGRUSLSA-N 402.455 0.857 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1)CC2 1819717654 PCLVOTNRUGYRIB-REJLFOLJSA-N 408.524 0.351 30 20 HCED O=C(C#Cc1ccccc1)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822608206 AYRCOYMZSZWCFJ-ZOBUZTSGSA-N 410.499 0.830 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1=NNC(=O)C1)CC2 1823086053 VQVXINPVIDZDGE-ZJUUUORDSA-N 406.468 0.732 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)CCC(N)=O)CC1 1823749899 XPNMEMNQUALAGF-KMDWOBIYSA-N 404.511 0.730 30 20 HCED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)CC[C@@H](N)C(N)=O)CC2)CCC1 1826937654 BTYRIUHSLDPJMW-IAGOWNOFSA-N 403.527 0.893 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccco3)C2)C1 1829764026 GVRDEAYAKIRITR-PRPIBZDOSA-N 403.435 0.208 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3)CCO2)C1 1829876516 BASWNJBPSOHHEE-YLJYHZDGSA-N 410.515 0.340 30 20 HCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056887 ZGMWSYSUMMYXSP-IFXJQAMLSA-N 421.523 0.950 30 20 HCED CN1Cc2ccccc2C[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1832468284 IEXFGJLWBVAIHT-UGKGYDQZSA-N 412.490 0.413 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(CO)CC1)CCO2 1832514168 MUQHOWPAAPTZFO-AJTFCVKESA-N 404.507 0.655 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnnc(Cl)c4)CCO3)C2)CC1 1833206611 FPQIUCXEUGMFMJ-SFHVURJKSA-N 405.842 0.504 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)Cn3cncn3)CC2)CC1 1833469513 APIKWDMFRVWJGB-UHFFFAOYSA-N 418.542 0.833 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=O)N(C)C)CC2)CC1 1833472872 JUGNUWXWLSRUGT-INIZCTEOSA-N 423.558 0.420 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cocn3)CCO2)C1 1834505688 IOSYZGJNTRUAQB-LJQANCHMSA-N 405.455 0.026 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)[C@H](C)CC)CC2)CC1 1834681865 HHXMSPSMFVHZBA-HLIPFELVSA-N 406.571 0.970 30 20 HCED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)s1 1834766136 YZHHRPZOISZRGA-LJQANCHMSA-N 421.475 0.447 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(N)=O)CC2)CC1 1835054036 LOGFBMPIBYNEMO-QAPCUYQASA-N 421.542 0.043 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CC(F)(F)C(=O)O)CC2)CC1 1835072969 KHTKNGQSZABJRC-LLVKDONJSA-N 407.483 0.986 30 20 HCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1835621369 BXJGLLJEAOXHCE-KSSFIOAISA-N 412.512 0.590 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nnc(C)o1)CCO2 1836021920 NNIJWUBJKNDLRU-SFHVURJKSA-N 410.496 0.296 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc[n+]([O-])cc3)CC2)CC1 1836050557 HWTTWBTUSNTQIY-QGZVFWFLSA-N 414.506 0.544 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1837395169 RONOKMZKNONHQI-LAUBAEHRSA-N 420.510 0.372 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838210517 KJELJAUDMHVQPI-JXFKEZNVSA-N 404.467 0.446 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838346362 QABRRRDYBRSTLD-LJQANCHMSA-N 422.507 0.474 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1 1839237632 UZRFDTMLFVNTFW-OAQYLSRUSA-N 424.461 0.228 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C3CC3)cc1)CCO2 1839441227 JTYDDQRLLKAGEM-JOCHJYFZSA-N 412.442 0.722 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839686231 NIMCNIPVMYHAJX-IGCXYCKISA-N 404.485 0.323 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1839843315 XSDIALUDGFFNAK-RZQQEMMASA-N 410.515 0.363 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1840175688 YYYWOAFTSGWUEW-FQEVSTJZSA-N 408.495 0.952 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840450085 RUYHFKGHPPUUIK-IIBYNOLFSA-N 416.478 0.855 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC3(CCCN3C(=O)CC#N)C2)[C@H](O)C1 1842620930 HTWAAZAXMLSECD-LSDHHAIUSA-N 406.483 0.721 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1)n1cnnn1 1843419497 NBMVXWVLAAPCJL-GFUIURDCSA-N 400.464 0.938 30 20 HCED COc1cc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)nn1C 1844302002 VCVJPFZTWVLUEF-PBGVMVHZSA-N 405.455 0.775 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OCc2ccccc2)C1 1847002742 VDHDBAMUWUMSDX-ROUUACIJSA-N 411.458 0.595 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[C@@H]2CCC(=O)N2C1 1847262790 HJUHBHSNIXKYLB-GEAWCGIDSA-N 414.506 0.448 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(CO)CC2)CC1 46091457 NEZLPFFIZPGAOZ-UHFFFAOYSA-N 406.508 0.095 30 20 HCED C=CCN(CC(=O)NC(=O)NCc1ccco1)CC(=O)NC(=O)NCc1ccco1 47549859 XSZGYXXYZUJXMO-UHFFFAOYSA-N 417.422 0.712 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 409539785 VOCYWFKERWJXTI-KSZLIROESA-N 413.588 0.835 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 409555542 NQQZPJNUNYEKPS-LBPRGKRZSA-N 422.479 0.607 30 20 HCED CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 433097710 OUGRRWDAYUZTCL-UHFFFAOYSA-N 410.315 0.928 30 20 HCED CC(C)N1CCC(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)CC1 433884046 SOTZZJFJXOWAKZ-UHFFFAOYSA-N 401.515 0.752 30 20 HCED N#Cc1ccc(NCC2CCN(CCO)CC2)nc1NCC1CCN(CCO)CC1 436401129 NTNXXGSSFUDSLC-UHFFFAOYSA-N 416.570 1.186 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 437053201 AYWQYTSKMQWWGX-KBXCAEBGSA-N 403.483 0.978 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)N1CCCC1 440177914 XWODOXKVRRTSMT-LBPRGKRZSA-N 414.853 1.463 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1=O 440247639 YEGXRDDSVCPDJL-QGZVFWFLSA-N 414.462 0.343 30 20 HCED C[C@](O)(CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)CN1CCOCC1 442036084 USQCANGPOLTUPG-SFHVURJKSA-N 412.393 0.298 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1 442153968 LAHDVUQKIMBVKI-INIZCTEOSA-N 417.466 0.719 30 20 HCED CC(C)C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)Nc1nccs1 442163752 BYRQKTAMCCIIOV-GFCCVEGCSA-N 403.468 1.361 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cnn1-c1cccc(C#N)c1 443680169 IQLGZASCERAFEJ-MAUKXSAKSA-N 424.461 0.784 30 20 HCED C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 443810248 APEKWVRXJUASDD-NWDGAFQWSA-N 405.842 0.926 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 460380606 OCGBVPQLYWIGND-UHFFFAOYSA-N 410.544 0.950 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1=O 467664746 XDBQASZLQYPASE-CVEARBPZSA-N 412.446 0.162 30 20 HCED C=CCNc1nnc(S(=O)(=O)CC(=O)NC[C@H]2COc3ccccc3O2)s1 479034238 ZEMTZMPQXGOWNR-NSHDSACASA-N 410.477 0.866 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@H]2C(N)=O)nnc1-c1ccccn1 488910661 DOCMHWPUFZLMNF-ZDUSSCGKSA-N 415.479 0.804 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c1C#N 490350986 BZSRQOSAPIVGNI-MRXNPFEDSA-N 413.478 0.197 30 20 HCED COC(=O)C[C@H]1CSCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 497237549 SOTHMKDOKHBQCE-JSGCOSHPSA-N 411.505 0.732 30 20 HCED CCOC(=O)c1c(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 500818060 VLIPDGIDYAMWPY-ZDUSSCGKSA-N 412.468 0.834 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 504419708 QNAGIAARIXDDFL-IAGOWNOFSA-N 419.507 0.777 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](Cn2ccnn2)C1 505755887 WWMDJRCEYHTQKW-ZBFHGGJFSA-N 402.480 0.755 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 532313267 DRKWNQITSHVQPA-AWEZNQCLSA-N 421.461 0.774 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCCCC#N)CC2)c1 542450110 WQNMLEPGBGMVTG-UHFFFAOYSA-N 400.482 0.854 30 20 HCED Cc1noc(C)c1CO[C@H]1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 546563283 IKUZFBBRNRMWDH-HNNXBMFYSA-N 400.439 1.466 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)NCCc2ccccc2)c1 555003049 MXTKODGISGLBQO-UHFFFAOYSA-N 400.460 0.312 30 20 HCED CN1C(=O)COc2cc(NC(=O)C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc21 556326678 BTXYPEKAMONFPL-HNNXBMFYSA-N 421.413 0.927 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1 557731715 HGXAETFSBDVQPD-UHFFFAOYSA-N 406.512 0.482 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 558453210 YZZSHZWBLXKWOH-HNNXBMFYSA-N 410.544 0.808 30 20 HCED Cc1nsc(N2CCN([C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 565391948 YHORAMATARHBHV-KBPBESRZSA-N 411.553 0.479 30 20 HCED CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 569832359 DAKUOJGAFKFEIW-HXUWFJFHSA-N 420.517 0.891 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCCn3cnc(C#N)n3)cc2)C[C@H](C)O1 573671025 MBKFNJBXFNAVCD-KBPBESRZSA-N 418.479 0.378 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 574479334 UTRLPVGUMWTUOJ-UHFFFAOYSA-N 422.919 0.235 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)cc2)ccn1 574561959 HKYYQYDSFUIXAC-UHFFFAOYSA-N 409.402 0.659 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1 574626941 XFLXVRALDLIUBF-KBPBESRZSA-N 402.455 0.241 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)OC 582137326 IAJIRCSSHYTBMR-ZDUSSCGKSA-N 405.798 0.640 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)C1=O 606865910 GVNTVYPAJRIANI-UHFFFAOYSA-N 413.434 0.304 30 20 HCED C[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(=O)N1c1cnn(C)c1 610307932 KBTKWBCBXWAIHK-GUYCJALGSA-N 415.475 0.517 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccccc1-n1cncn1 610700784 UIONORNTGFZVGM-CQSZACIVSA-N 417.433 0.605 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC#N)CC2)c(C)c1 611644587 PUNGYWXORXFIQH-MSOLQXFVSA-N 420.535 0.404 30 20 HCED C=CCN(C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)[C@H]1CCS(=O)(=O)C1 678889596 HDKQWQMSYCHCJJ-HNNXBMFYSA-N 408.480 0.499 30 20 HCED CN(C1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1)S(C)(=O)=O 725771832 MIPHOFWCXMFPOX-IBGZPJMESA-N 419.507 0.639 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c1 731125569 BNNLMLYXGBDNMM-UHFFFAOYSA-N 419.445 0.663 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(=NN=c2nc3[nH][nH]cc-3c(O)n2)CC1 731154800 DUELBDXSMHCJCU-UHFFFAOYSA-N 405.444 0.025 30 20 HCED C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCC#N 731233029 FLUMXWOKGFUTCN-PXAZEXFGSA-N 405.432 0.050 30 20 HCED Cc1cc(NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)no1 731902173 YXINPZJMKLZPIJ-UHFFFAOYSA-N 404.452 0.263 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 733297613 LZPORZVMFOMCSU-YJBOKZPZSA-N 405.480 0.296 30 20 HCED N#CCOc1ccc(COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 733378208 WCHJOJRLEKRSRB-AWEZNQCLSA-N 405.432 0.798 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCNC(=O)C[C@H]2c2ccccc2)c1=O 748790096 KWVJCOKOLXUXDE-KRWDZBQOSA-N 411.462 0.064 30 20 HCED COc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1C#N 749523660 YKEFUJQENXEYJQ-INIZCTEOSA-N 413.521 0.201 30 20 HCED CC[C@@H](C)OCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 751880331 XTJHVSDORMENJI-OAHLLOKOSA-N 423.491 0.749 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 758068433 LDLFQRIHXXKURQ-UHFFFAOYSA-N 411.458 0.352 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 763399384 BJSXVDYKKIJGQN-HZPDHXFCSA-N 409.450 0.365 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 773443104 ZNMCQUGZYHCPEJ-ZDUSSCGKSA-N 422.484 0.650 30 20 HCED CSC[C@@H](C(=O)NS(=O)(=O)CCCC#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 776121121 DTMJXRBJXHFVLI-XQQFMLRXSA-N 401.510 0.643 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 781992173 YBHYJVMETAWFLB-UHFFFAOYSA-N 424.454 0.739 30 20 HCED CNS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784425861 OZGDUXJQXQWMHS-XMHGGMMESA-N 417.513 0.170 30 20 HCED CCN(CC)C(=O)CSc1nnc(S[C@@H](C)C(=O)NC2(C#N)CCC2)n1N 786711417 WRJFNZBHTZPTGU-NSHDSACASA-N 411.557 0.995 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)c1C#N 788094159 KASYQYJVBNVMFV-UHFFFAOYSA-N 406.454 0.608 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 792443907 CXLMBLQHBQQSBK-OAHLLOKOSA-N 406.508 0.479 30 20 HCED C#CCC[C@@H](O)CNC(=O)c1cc(I)ccc1-n1cnnn1 799076297 UKRBAKNSTXXCJG-LLVKDONJSA-N 411.203 0.771 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 800113873 JUOISEUVKBINBR-CQSZACIVSA-N 406.505 0.319 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c(F)c1 802570060 GXLMBDWXUKUEAU-GFCCVEGCSA-N 400.403 0.547 30 20 HCED C#CCNc1nc(NCc2nnc3n2CCC3)nc(NCc2nnc3n2CCC3)n1 804339674 DRFZWLARCOSTPC-UHFFFAOYSA-N 406.458 0.216 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 808450443 OGXSNWDDNJSCIQ-XIRDDKMYSA-N 418.519 0.878 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc(-c2ccccc2)cs1 814883714 XQTOCHNMHMTHNY-UHFFFAOYSA-N 419.488 0.910 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 914651501 ADJZMHVIVATDMY-DZGCQCFKSA-N 405.432 0.076 30 20 HCED COC(=O)CNC(=O)COC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 914956239 FYSOZQRQZZXNDS-UHFFFAOYSA-N 416.390 0.855 30 20 HCED C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1 919960024 VKGOLPXFSJITHC-UHFFFAOYSA-N 415.427 0.665 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)NC(C)(C)C2=O)c1 1123995624 OJKFNJHAICROSN-UHFFFAOYSA-N 406.464 0.048 30 20 HCED Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1304717456 VMYSXRQVQBELAY-GXTWGEPZSA-N 406.516 0.968 30 20 HCED CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314306713 RHHIRUVNODBVLN-IBGZPJMESA-N 419.507 0.872 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3(C#N)CCOCC3)c2)CC1 1318516857 FDIOMCOULYITNF-UHFFFAOYSA-N 420.491 0.342 30 20 HCED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 1319284118 LOXYVOATPDKQKF-ISLYRVAYSA-N 404.448 0.400 30 20 HCED Cc1cc(NC(=O)CN2CCN([C@H](C#N)C(C)C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1341290140 KLOIBUNYJHVEQH-DLBZAZTESA-N 422.555 0.655 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)C[C@@H](C)O1 1464129169 ZGELIVOVNLWCKJ-FCEWJHQRSA-N 410.540 0.959 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)n1 1511681196 TVGGLKSHCFWTSD-CYBMUJFWSA-N 410.486 0.889 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC1 1619913148 VMJQIJDYTBXWNQ-OAHLLOKOSA-N 412.516 0.387 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c(F)c1 1622496939 VIKWNPCEQMFBOB-OAHLLOKOSA-N 414.478 0.911 30 20 HCED N#CCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 1643821960 ITADMMOCFYQNAL-WBVHZDCISA-N 410.471 0.007 30 20 HCED N#Cc1ccc(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)c1 1643988076 ITRSLAUXVDMNOM-UHFFFAOYSA-N 416.459 0.057 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](C)CC#N)CC2)cc1OC 1654068791 JCJUTRZTGWWNLZ-CQSZACIVSA-N 410.496 0.428 30 20 HCED CN(Cc1nnc2c(=O)[nH]ccn12)S(=O)(=O)c1cc(Br)cc(C#N)c1 1665838131 OBLNUPQUEZIKFK-UHFFFAOYSA-N 423.252 0.872 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C1CC1 1741939463 WUHBIAFODOEBBG-CYBMUJFWSA-N 416.511 0.816 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC1 1751279086 QUGIPMIMFITJTP-KSSFIOAISA-N 409.512 0.462 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1 1760307291 PBGWUFNYERFCSB-NEPJUHHUSA-N 400.277 0.989 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1778970512 ZYYXJWWRIWUKJI-IFXJQAMLSA-N 408.524 0.792 30 20 HCED Cc1nc(N)sc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016568 KBGICJFWHRUVEK-GWJWUGQSSA-N 420.539 0.949 30 20 HCED CC[S@@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064527 CJQMMEJFDRYRCQ-KCWXNJEJSA-N 424.563 0.674 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1779133209 WRCLZMZOYOAEFX-MFBSEBAMSA-N 401.419 0.855 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780217443 QJAXAQPEZXOXLO-JNAXZKDPSA-N 407.467 0.886 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OCC)nn3)C2)C1 1780425172 FJXWAEJZGXGZSU-QRWLVFNGSA-N 404.467 0.910 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(O)nn1)C2 1783172061 XXHZPOMZWXESEL-FOIQADDNSA-N 402.451 0.488 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1783177686 HWXZDESRVQLATJ-LHSJRXKWSA-N 416.453 0.594 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccncc34)C[C@@H]21 1784483610 DCZBCLDCKFXVDI-YEWFCNIMSA-N 411.462 0.361 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787432687 MBILEXBMRBOVOZ-XUXIUFHCSA-N 404.410 0.667 30 20 HCED Cc1nn[nH]c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601630 QHTKNXWTAKGSIZ-OHUPQBMTSA-N 403.487 0.178 30 20 HCED CCOCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788661512 VUQZAONEMYATSA-STBICACKSA-N 411.499 0.922 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)OC)C[C@@H]21 1789890157 AYIMOPVDNUXSBD-JYJNAYRXSA-N 410.467 0.429 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C[C@@H]21 1789959493 MMNZUVPOWZOFER-QEOTZNIISA-N 406.487 0.620 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)C1(O)CCC1 1792475937 LCYNGDZKCPXLIY-CBOFZVBUSA-N 423.510 0.656 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cn3cccnc3n1)C2 1792564492 PJVDWOAWCJGLOK-OXOVRFNWSA-N 408.462 0.840 30 20 HCED Cn1c(=O)n(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)c2ccccc21 1793258640 TUDRKOIHSOKOIB-FAQVEIGNSA-N 422.485 0.343 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)cc1OC)C2 1793345276 QAYYAPJEMDODRQ-IHSNIMORSA-N 416.474 0.945 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)cco1 1794999078 GABAAHYJJOTJBE-XOIINTDNSA-N 402.451 0.125 30 20 HCED N#CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCS(=O)(=O)c1ccccc1)C2 1795082971 BIPYGKJPOMFPQK-CCWDJLKJSA-N 405.476 0.354 30 20 HCED NC(=O)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274841 XVYVVMFZGIPNNB-XEMDLRDOSA-N 418.453 0.435 30 20 HCED Cn1ccc2c(O)ncc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C3(C#N)CC3)c21 1795412066 FASMEEGBULRZMD-YWVIFJGQSA-N 409.446 0.786 30 20 HCED N#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccc3sccc3c1=O)C2 1795417005 JGECVDMUOVLEJO-HBCWATKFSA-N 414.487 0.956 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CSC(=N)N 1795507694 XAILFKBEIFATBX-ZSBFGKGUSA-N 417.491 0.153 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2ccnc2c1 1797443734 SSJVQQAUANCWKQ-YGHZTVRRSA-N 423.473 0.396 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CC)n(C)n1 1798321913 BIFUDMYJXYCOPA-CCWDJLKJSA-N 418.494 0.695 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(F)cc([N+](=O)[O-])c1 1799627104 RHUHEJGJKBFACW-FRQROOTJSA-N 419.409 0.975 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2C=CS[C@@H]21 1800248238 DCINXKMDMPEUQP-GGGWTEGZSA-N 404.536 0.733 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)NC(=O)NCC)C2)C(F)(F)F 1800551026 IURNJUTZNXQRPK-RVMXOQNASA-N 406.405 0.402 30 20 HCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1cc(C)c(O)nc1=O 1801971042 PBKYDXSLTMOARO-HGKCTWBKSA-N 416.478 0.041 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cnnn2C)[C@H]1c1cccnc1 1802475958 DBROSAPIRUKUFX-KVWGNXHNSA-N 423.477 0.388 30 20 HCED CN(C)C(=O)NCC(=O)N1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccnc1 1802685692 JRUBOTWEVISMLI-RDJZCZTQSA-N 400.483 0.908 30 20 HCED O=C(CCN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1803914171 ZZOFHFXLTOYYLA-JPYJTQIMSA-N 420.469 0.816 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807190566 NGSJBMUAJUFBMR-FZCLSBEQSA-N 421.567 0.635 30 20 HCED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807360092 ZTKPTSHJMQSUIG-KBXCAEBGSA-N 407.434 0.708 30 20 HCED N#CCCC(=O)N1CC[C@H](CNC(=O)COc2ccc(O)nn2)[C@H]1c1cccnc1 1812350755 CDXJGKQRVPOZDU-FOIQADDNSA-N 410.434 0.966 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2CNC(=O)O2)[nH]n1 1814434063 MDZDNNKGYFBHLR-WJDZFGBRSA-N 416.438 0.369 30 20 HCED CN1CCN(CCC(=O)Nc2nc3c(s2)C[C@H](NC(=O)C2(C#N)CC2)CC3)CC1 1814578088 SAJHJPZVFUBRDC-CQSZACIVSA-N 416.551 0.996 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819441765 LDVMXSBJJCDPOD-PTSWNOGYSA-N 421.498 0.644 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)c3ncon3)sc2C1 1821014123 HHCCUPOTQUPZLC-WWQCOOJYSA-N 402.436 0.610 30 20 HCED COc1ncccc1C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664128 QAACOCPTKJRKGS-JTQLQIEISA-N 400.416 0.861 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CCC3CCC3)C2)C1 1829762734 PPPMNHAXQXBKJA-PYHFOVLWSA-N 419.522 0.882 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1830057432 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LWHPGUZLGPCZKQ-MRXNPFEDSA-N 421.538 0.938 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837397696 SHLRYOCONPCLQN-OXJNMPFZSA-N 423.535 0.715 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC=CO3)CCO2)C1 1837410172 KJOCIOIDFQETFP-UWJYYQICSA-N 420.510 0.417 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1837661880 VPMHEEBHAZZLLA-IERDGZPVSA-N 409.527 0.947 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837679098 DYNMCTKRULAQRB-CSODHUTKSA-N 409.527 0.960 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837790186 CWLVSVUEGMVKCH-MRXNPFEDSA-N 422.482 0.353 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838338309 YPCCITJHHKADJT-OXJNMPFZSA-N 420.466 0.191 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c[nH]nc1C)CCO2 1838677181 VIWBYNOBFDPTDP-HXUWFJFHSA-N 406.483 0.771 30 20 HCED CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1838722847 VPITXKGJZQEZBL-CYBMUJFWSA-N 416.613 0.787 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc[nH]4)C3)C2)c1 1838736094 JESDBECDLQFEDO-NRFANRHFSA-N 411.462 0.917 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058240 PEQGKWXSAPTHCY-UTKZUKDTSA-N 401.463 0.119 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1839223020 IWEHRSKTBIVSTR-OXQOHEQNSA-N 421.498 0.599 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591090 FZAPPYSRRRSDCC-IBGZPJMESA-N 401.398 0.457 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1840163090 CXNHDSSTXWBQIA-YJYMSZOUSA-N 422.482 0.862 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2 1840233676 XXOCBHYUMUKKAC-UTKZUKDTSA-N 405.495 0.163 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1840293491 DNVUVBPMSNUHOJ-XMSQKQJNSA-N 421.538 0.941 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1840294791 LDTKSLFGHZEACH-OAQYLSRUSA-N 402.495 0.842 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)no1 1840365704 KGDMSUVSDODANB-MJGOQNOKSA-N 411.524 0.936 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840365770 MPWXLQKMUHVMBS-OXJNMPFZSA-N 407.467 0.573 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840882062 CONLWZZXQBANNP-KKSFZXQISA-N 424.494 0.070 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1842945135 JLEFRFATYULZIZ-IYNGYCSASA-N 404.492 0.283 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206550 BXOSWDPKZSQILB-YYBSAPHASA-N 421.372 0.824 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CN2CCOCC2)C3)c(C#N)c1 1845138510 KMMTXRYEIDIXCC-UHFFFAOYSA-N 412.490 0.645 30 20 HCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846195773 BMVSRVFBPRDATB-GJZGRUSLSA-N 419.478 0.781 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847082426 WOKUAQKQRNJJCJ-SPLOXXLWSA-N 417.462 0.747 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 46946080 FSYYCVHIHQNINO-INIZCTEOSA-N 407.540 0.321 30 20 HCED C=CCn1nnnc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 52895472 UKEBJYOOVNIVLM-QWHCGFSZSA-N 401.514 0.146 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)c1 55596083 YAUHEZKMVYIEIE-UHFFFAOYSA-N 409.445 0.810 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O 410145187 KIOSZWSWRVPABX-YPMHNXCESA-N 414.509 0.956 30 20 HCED CC(C)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1=O 428154825 QJHYUCDZIKDNIZ-CABCVRRESA-N 406.508 0.940 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 430383259 GETZQQCXWZTIDZ-ZWKOTPCHSA-N 406.527 0.096 30 20 HCED COC(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)OC 432855276 VBBJYBVIWFQFAG-LLVKDONJSA-N 405.226 0.704 30 20 HCED N#C[C@H]1CN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCO1 434469474 BSUQZOVYYPDDCL-WMZOPIPTSA-N 404.442 0.777 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 435653081 FKITVLNOMPRZBX-CQSZACIVSA-N 419.457 0.321 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccc(O)cc1 436681674 NTNFHGJHDZRDAQ-CYBMUJFWSA-N 416.459 0.477 30 20 HCED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 437406530 GFNZXWMKHKSOJN-CQSZACIVSA-N 407.496 0.179 30 20 HCED CCOC(=O)[C@@]1(COC)CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 439470823 DYZODPCBDQKOGH-NQIIRXRSSA-N 408.543 0.970 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCC#N)Cc2ccccn2)c2ccccc2O1 439600007 UQBFTNPDYLCWKM-SFHVURJKSA-N 407.430 0.864 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CO)Cc3ccccc3)n2)cc1 439617268 USIFMBXKJRPIES-GOSISDBHSA-N 404.430 0.856 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1=O 440254308 IYCVPRCUJQINED-MRXNPFEDSA-N 407.492 0.723 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 442096969 MWMXLWADJYORFD-AWEZNQCLSA-N 402.451 0.991 30 20 HCED Cn1ncc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C(F)(F)F 446524628 UBSZBUFXMNAGDI-UHFFFAOYSA-N 402.377 0.452 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)C1=O 464935282 RXIOBMHMNJRPTI-NSHDSACASA-N 413.390 0.899 30 20 HCED CC(C)[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)C(=O)N(C)Cc1nnc2n1CCC2 472968261 NTDIDECSAASYEQ-SFHVURJKSA-N 423.477 0.834 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)CCCN(C)C 476745301 LAQFJLYEWBAGLS-CQSZACIVSA-N 409.512 0.146 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)cn1C 480425043 HMWYOGIYAMIMNF-QGZVFWFLSA-N 419.507 0.346 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)N1CCCC1 481248631 CYLILDODCWHITM-BBRMVZONSA-N 422.532 0.749 30 20 HCED C=CCOC[C@@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OC 481746947 GSJQXWGEWORNGJ-CQSZACIVSA-N 402.407 0.821 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 482786218 GOCJJXMLRPRSGG-UHFFFAOYSA-N 424.479 0.062 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 485408391 QDTNATPWMISECV-KGLIPLIRSA-N 401.492 0.519 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(=O)N(CC(F)(F)F)C3)C2=O)cc1 489116467 MFFKRMBASUSMLK-ZDUSSCGKSA-N 423.351 0.954 30 20 HCED CN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 490231779 RZSRPPYLQYIAPS-IRXDYDNUSA-N 419.507 0.334 30 20 HCED CCCCN(C(=O)CN1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 497487144 XRXMLMMWCDDGIG-SFHVURJKSA-N 419.551 0.891 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 501608799 RWZABJILJDIFPF-AWEZNQCLSA-N 409.468 0.662 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 504730877 DHJDSIWYOKMQEW-HNNXBMFYSA-N 424.454 0.289 30 20 HCED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 506442480 BLERGWGDXNOJDT-GFCCVEGCSA-N 405.411 0.467 30 20 HCED CS(=O)(=O)C1(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCC1 508214501 BOJQVRJEEIPBJQ-UHFFFAOYSA-N 416.463 0.551 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccnn2CC)c1=O 512757398 JTDWULFDTGFARW-HNNXBMFYSA-N 413.503 0.110 30 20 HCED CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C12CCC2 513482281 FIJTTYIHLYCAMK-SJORKVTESA-N 414.510 0.713 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)C1=O 517345546 FSORSMFQIJCMKZ-AWEZNQCLSA-N 400.435 0.995 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2F)c1=O 522284451 MUSCIJNSNQYWCY-UHFFFAOYSA-N 419.478 0.351 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2cccc(C)c2)C1=O 522873791 OOIMWVYIZVSTFH-AWEZNQCLSA-N 416.459 0.812 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 531698557 KILYAQZMTMFLER-UKRRQHHQSA-N 405.480 0.241 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(CCNC(=O)c2ccccc2F)CC1 531841521 MQBHAZPEVJJWGB-UHFFFAOYSA-N 414.485 0.829 30 20 HCED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 537666913 YRHFYSGXMLTNBQ-UHFFFAOYSA-N 407.426 0.946 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 539241086 TWQKYAKJXDHZLM-GOSISDBHSA-N 414.510 0.237 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CN(CC(C)C)CCO1 541383803 OTBPCKBJNSELFU-KRWDZBQOSA-N 418.494 0.995 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 543867161 WJMYWPNMJMZIID-UHFFFAOYSA-N 420.472 0.261 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1 550655314 XUIULJQBCPFVSE-UHFFFAOYSA-N 413.459 0.566 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CC1 550756077 GGJJVJMLDIHQEF-UHFFFAOYSA-N 409.490 0.724 30 20 HCED CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 554694102 COIOOQHODRHYPG-OALUTQOASA-N 411.506 0.574 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 561050467 IWJAEKIEWFKKJG-UHFFFAOYSA-N 405.458 0.923 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 561538234 KCQDJKHBXSRWKN-VIFPVBQESA-N 408.299 0.762 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 564500433 ZRFUEOODAVVGGQ-UHFFFAOYSA-N 424.505 0.823 30 20 HCED C[C@@H](NC(=O)CCC(=O)NCC(=O)NCC#N)C(=O)c1ccc(Br)cc1 567070803 IOPRHJXECCFMLH-LLVKDONJSA-N 423.267 0.673 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCSC[C@H]3CCO)C2=O)cc1 569028406 BBISBIOLBSKEQD-IAGOWNOFSA-N 416.503 0.102 30 20 HCED CN1C(=O)c2ccc(NC(=O)CN3CCN(c4cnccc4C#N)CC3)cc2C1=O 570264157 BGHISYPXQPDZKL-UHFFFAOYSA-N 404.430 0.940 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCOC[C@H]3CCCO3)CC2)c1 572063976 YOZJUUIQDBRKKM-QGZVFWFLSA-N 401.467 0.304 30 20 HCED COCCCN1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 581540144 NLLQUVBOTQJOHP-UHFFFAOYSA-N 414.510 0.219 30 20 HCED CC(C)(CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1CCOCC1 585683960 DQVHPZABHGUVNU-UHFFFAOYSA-N 414.510 0.265 30 20 HCED COC1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOCC1 588645258 WCJRDZYGMBOTBD-GOSISDBHSA-N 400.479 0.535 30 20 HCED COc1ccccc1[C@@H](CO)NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 589416210 FFSLYSLBQQPWOU-OAHLLOKOSA-N 406.402 0.936 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cc1 609226300 ICNOFLSREIGOMS-UHFFFAOYSA-N 421.457 0.970 30 20 HCED N#CC1(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 609666651 QCSLNRWRAOIONL-UHFFFAOYSA-N 409.464 0.705 30 20 HCED COCCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 610798168 LGNHLOMUWPJKMX-AWEZNQCLSA-N 422.507 0.226 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H](C)c2ccc(CC)cc2)C1=O 726042968 ICUHEVNNFVVEQO-CYBMUJFWSA-N 401.419 0.946 30 20 HCED CN(C)CCN(C[C@H]1CCCO1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 729431268 FXTSWGSEFSASTG-OAHLLOKOSA-N 408.524 0.684 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 730073708 RPEPPKGYPYPYKY-HDOZFUISSA-N 419.463 0.189 30 20 HCED N#C[C@@H](C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 732910923 WJSSPIHIVGMQTQ-HOTGVXAUSA-N 403.460 0.001 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 747960154 WPTUKSKLIUFCKL-UHFFFAOYSA-N 414.553 0.536 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC2)cc1 752435501 NCCGHWGHPKXSKA-LTGZKZEYSA-N 407.496 0.260 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2cc(C)ccc2Cl)CC1 754081425 GHXTVOYHBVYYGQ-HNNXBMFYSA-N 401.916 0.473 30 20 HCED COCCN(C(=O)CON=CC(=O)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 754277357 YXGZIAZFQPUOGT-OAHLLOKOSA-N 415.443 0.429 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 757391907 WMCDURAINQOMAW-SOUVJXGZSA-N 406.483 0.985 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2c(F)cccc2F)c1=O 758041256 QHKZLZFTKWTLHF-UHFFFAOYSA-N 417.437 0.477 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(S(C)(=O)=O)CC2)C1 758759232 KTAQSWZTYUOXGZ-OCCSQVGLSA-N 400.501 0.964 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC)cc2)CC1 764983159 POCSCCFXJDGNLC-UHFFFAOYSA-N 405.520 0.768 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[C@H]1CCCO1 773795849 XAUHJJYTLPEUGN-ZWKOTPCHSA-N 414.462 0.193 30 20 HCED COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 774012664 JLSADHHSCFBBCH-ZFWWWQNUSA-N 409.414 0.539 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)CC(C)(C)C#N)C2=O)cc1 785091474 WFDOXVLTUKHXLO-IBGZPJMESA-N 402.407 0.976 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 785215557 GIZMGBNZXITANN-CQSZACIVSA-N 405.426 0.872 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1 787727110 WGNLOERKSLTFDL-YPMHNXCESA-N 411.484 0.198 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)CC2)c1C#N 788538186 ZPXBJFICOOARDV-OAHLLOKOSA-N 420.477 0.587 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796202494 OJCLYYRDJOCPNX-JKSUJKDBSA-N 415.560 0.950 30 20 HCED CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC(=O)NCC#N)cc21 796216572 GNYVBWADBYDGMH-UHFFFAOYSA-N 415.269 0.276 30 20 HCED C[C@@H]1CCNC(=O)[C@@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 799766602 OAULTVHFKREORW-CXAGYDPISA-N 406.508 0.926 30 20 HCED C[C@H](C#N)OCCOC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 801806253 CPORASLLRAINNQ-ZWNOBZJWSA-N 421.269 0.560 30 20 HCED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 802458615 AVXCXGYSOYLJRF-UHFFFAOYSA-N 409.450 0.984 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCOC)c1=O 802722251 LENATQIQFPFAAH-UHFFFAOYSA-N 418.519 0.517 30 20 HCED C#CCNc1nc(N[C@H]2CCN(C(C)C)C2=O)nc(N[C@@H]2CCN(C(C)C)C2=O)n1 804460655 SQVKVCVTKQLIFO-GASCZTMLSA-N 414.514 0.759 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CCOc2cccc(OC)c2)CC1)[C@@H]1CCCO1 809305517 FCOGMONDSVQVBE-PMACEKPBSA-N 415.490 0.515 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 821727280 ARQBHDPOCBSWSE-SGTLLEGYSA-N 406.464 0.711 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(S(N)(=O)=O)cn2C)C1=O 822009842 SXBAYSUQOWOGGC-KRWDZBQOSA-N 413.500 0.988 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1cccs1 839326908 KTJYNFUQOYIWKC-UHFFFAOYSA-N 413.528 0.781 30 20 HCED Cc1cccn2c(=O)cc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)nc12 916422975 VVVULPOGEYACKY-UHFFFAOYSA-N 412.427 0.896 30 20 HCED N#C[C@@H](C(=O)NC1CCCCC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 916892142 BBLAJIHCEQLMML-ZIAGYGMSSA-N 408.480 0.310 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917354947 CQEIDDILSXKUEV-UHFFFAOYSA-N 415.519 0.032 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OC)C(=O)OC)ccc1F 918000128 VOAHGHMGVVFGOU-GFCCVEGCSA-N 402.400 0.125 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 919133274 MKEARCWMODMXEL-KBPBESRZSA-N 411.480 0.511 30 20 HCED N#CCCNC(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919649280 PXXNFTBGDLPBOT-CYBMUJFWSA-N 421.431 0.197 30 20 HCED CC(=NNC(=S)NCCN1CCOCC1)c1cccc(OCC(=O)N(C)C)c1 920482301 KEMSISGIOFDLGC-UHFFFAOYSA-N 407.540 0.674 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cn(C)c(=O)n1C 997600954 KBJDVOVPAUONFC-IMPIEMTGSA-N 402.495 0.957 30 20 HCED Cn1c(Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)cc(=O)n(C)c1=O 1189780153 MRZANKASIAHVTJ-UHFFFAOYSA-N 417.469 0.724 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 1252768944 IVZCHTGTYRUDHY-CYBMUJFWSA-N 404.514 0.054 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC1(CS(C)(=O)=O)CC1 1286970608 PSBLRFBHPGOHIX-CQSZACIVSA-N 408.528 0.821 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C 1295743818 XTQHCBQOTAAPOH-GJZGRUSLSA-N 422.507 0.321 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cccnc2N(C)C)CC1 1327091128 NMAOMTMPUNKCPV-UHFFFAOYSA-N 403.512 0.925 30 20 HCED N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1505323941 JSYPCNBTECKHJH-KRWDZBQOSA-N 420.477 0.945 30 20 HCED N#C[C@H](C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1nc(N)c2ccccc2n1 1515084164 YOIGHITZZVIKSH-JSPVNYKOSA-N 405.414 0.941 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 1622176901 LYBZLEQYWUIPKQ-UHFFFAOYSA-N 409.486 0.270 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 1637999947 USPGXPXTBSFHOD-CVEARBPZSA-N 420.535 0.937 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)CC1 1640589472 ZLFINRYPCCCXJL-ZDUSSCGKSA-N 409.464 0.265 30 20 HCED CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1645393316 JPXAOKBWYQPHLX-OAHLLOKOSA-N 409.464 0.406 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)cn1 1667451271 YVWMQSWLDBPYIB-UHFFFAOYSA-N 410.482 0.836 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1691318361 YAJMTHHOTWFRHC-CYBMUJFWSA-N 405.484 0.677 30 20 HCED COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)c1 1697536822 MHBBALVWEVVMRP-WBVHZDCISA-N 417.491 0.966 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC2CCS(=O)(=O)CC2)c1 1698485833 NNQZVFMJBJWEPO-UHFFFAOYSA-N 414.491 0.578 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC(=O)NCC(F)F)c1 1712879417 ZUWQEGLUBAHXRP-UHFFFAOYSA-N 424.433 0.433 30 20 HCED 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C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCCCC(=O)OC)CCO2 1840236952 FQZIWSDNIILLIN-OAQYLSRUSA-N 408.495 0.980 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1840292727 GNIURCUCNGDRLD-QFIPXVFZSA-N 415.490 0.649 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1840294459 DEUQOMGKLRTGRR-ZDJZVTAXSA-N 405.495 0.676 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2nn(-c3ccccc3)c3c2COC3)C1 1843228582 GSZLOCYWQXROSG-UHFFFAOYSA-N 420.425 0.808 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 11555160 NXBONGKFIHQISY-KZULUSFZSA-N 407.448 0.817 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)C[C@@H](C)O1 14143369 VAPGUFOISJMBFU-BETUJISGSA-N 404.452 0.586 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 32631757 JUJFOQNXVSQQQM-UHFFFAOYSA-N 420.472 0.480 30 20 HCED COC(=O)CSCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 110501515 PLIAHPAUKHTPCR-UHFFFAOYSA-N 411.505 0.687 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1C 409529819 NILJFFAQJFVSKA-AWEZNQCLSA-N 414.553 0.946 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCNC(=O)c2ccc(Br)cc2)CCO1 409597207 SHLDBXKVQRYEOK-ZDUSSCGKSA-N 417.285 0.238 30 20 HCED COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCC#N)cc2)C1 427883743 FUUMZGMEWUYSDW-ZDUSSCGKSA-N 422.463 0.229 30 20 HCED CS(=O)(=O)C[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 429372471 MMSNUSHNECZNPL-JKSUJKDBSA-N 410.565 0.823 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 430372751 SOOFYHXQJVRUTN-PMPSAXMXSA-N 413.482 0.259 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 439209364 CZHMPLJBPYFAJC-ZBFHGGJFSA-N 410.409 1.091 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(CCC#N)CC3CC3)cn2)C[C@@H](C)O1 439346015 YQVPBBDVZUJIMP-GASCZTMLSA-N 416.482 0.610 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCS(=O)(=O)NC 440178305 ZMTRCYVNIQRDLU-UHFFFAOYSA-N 420.285 0.764 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)n2)c1 442496014 RFTJOPSIPWFDSV-UHFFFAOYSA-N 422.430 0.394 30 20 HCED N#Cc1cc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1F 446530501 NBJIKXRCEHREQW-HUUCEWRRSA-N 409.439 0.831 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 447210526 YMCMLIUJVNDTCQ-WRFANHODSA-N 408.414 0.429 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)CC2(C#N)CC2)c1 463411222 DUXWAQQSSONFJS-LLVKDONJSA-N 400.482 0.145 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)C[C@@H](C)O1 463443739 YEAWADGGUIPSKL-OKILXGFUSA-N 409.468 0.942 30 20 HCED N#CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 465145089 KGBDQPFWLSHYJM-KRWDZBQOSA-N 421.479 0.806 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(S(N)(=O)=O)c1 465287715 XHOFLAWRLRFJQC-ZDUSSCGKSA-N 415.479 0.416 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)c1C#N 472884407 VPYPWULHXSYGOY-UHFFFAOYSA-N 423.481 0.711 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(c3nc(N)ns3)CC2)c1 473939530 JIUVDOPUUQFUKH-OAHLLOKOSA-N 411.491 0.832 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(Br)c2)c1=O 480346358 COHSGPDSTSMASX-UHFFFAOYSA-N 404.289 0.991 30 20 HCED Cc1ccc(S(=O)(=O)N(C)C[C@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 481063378 ULXFVLSKMGJCOV-CYBMUJFWSA-N 401.510 0.796 30 20 HCED N#Cc1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1C(F)(F)F 481264366 ZAZMIDRVOPWHHF-UHFFFAOYSA-N 408.344 0.940 30 20 HCED Cc1ccc(C(=O)NCCN2CCC(N(C)C)CC2)cc1S(=O)(=O)NCC#N 482027226 CCWKIEROSRJSKZ-UHFFFAOYSA-N 407.540 0.553 30 20 HCED N#CCCn1cc(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 489563811 ITZVLNUGCRZWMA-HNNXBMFYSA-N 423.389 0.748 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C 489652561 XDFUQSZONVTPSV-UHFFFAOYSA-N 407.442 0.771 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)n1 506762168 ORIHPMOEKANJRB-YPMHNXCESA-N 410.500 0.282 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)n1 508365133 RHZRKFAJUNWWMW-UHFFFAOYSA-N 409.328 0.796 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508732763 ITEBZRIUMHSREH-ZDUSSCGKSA-N 400.443 0.530 30 20 HCED CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc21 508960618 RDTWUNYYLCRLHB-UHFFFAOYSA-N 412.450 0.204 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](CO)C2)CC1 509943372 WBSBPTKSMCBZTO-MRXNPFEDSA-N 406.508 0.095 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(Cc3ccc(F)cc3)CC2)C1=O 517817631 FTCKPVHOLSBWPP-UHFFFAOYSA-N 402.426 0.883 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 523451133 SVUJBMSGJFDZLT-DYESRHJHSA-N 415.542 0.878 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)Nc2cccc(OC)c2)C1=O 523656248 ZLJKOJIFKQJQTK-UHFFFAOYSA-N 402.407 0.459 30 20 HCED Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CCO2)n1 536998816 LZIBCHBKSUFJHY-OAHLLOKOSA-N 414.470 0.584 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cn2nc(C)cc2C)C(=O)O)c1 548205594 GAJDCIRSJHRTIL-INIZCTEOSA-N 406.464 0.847 30 20 HCED C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)CC1 549276112 QBGNGJKFAWBNBK-UHFFFAOYSA-N 424.552 0.927 30 20 HCED O=C(NCC#CCO)c1ccccc1NS(=O)(=O)c1ccc2nc(O)[nH]c2c1 549716183 UPXNKRISJYBBFP-UHFFFAOYSA-N 400.416 0.795 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCOC[C@@H]3CCCO3)C2=O)cc1 552690577 ZHASEFKQEXKNJH-ZWKOTPCHSA-N 414.462 0.087 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CN1C1CC1 554695096 UFNZYAZDALQAIV-LSBZLQRGSA-N 409.490 0.517 30 20 HCED CN(C)CCN1CCC(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 555035240 XIBANUXTEJJXOG-UHFFFAOYSA-N 407.540 0.226 30 20 HCED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 561642035 HZRVSLGCYWWJLE-HKUYNNGSSA-N 416.478 0.144 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 569174723 BGKPBETXVXZOAM-HNNXBMFYSA-N 411.466 0.286 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 573174255 OJJPYKMYZZTROV-JKSUJKDBSA-N 409.512 0.975 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)n1 573493512 DZNMHXOJNMXSFS-UHFFFAOYSA-N 419.239 1.183 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCOC4(CCCC4)C3)CC2)c1C#N 573595321 KYEQBYWJNDZMCX-INIZCTEOSA-N 414.510 0.857 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 573884899 JGQDENIETRNPOH-JKSUJKDBSA-N 422.555 0.109 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(Cl)c2)CC1 574784761 IVQAPOYVQFRGTR-UHFFFAOYSA-N 408.886 0.411 30 20 HCED COC(=O)c1c(F)ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C 577945576 JXVTXRWWRWVCQZ-UHFFFAOYSA-N 420.441 0.934 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCN(c2ccccc2)CC1 578651194 IEOVUMDFQGCUNQ-CQSZACIVSA-N 405.480 0.681 30 20 HCED CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 583387661 BXODBIPEELSSJH-UHFFFAOYSA-N 409.494 0.865 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@H](N4CCCC4=O)C3)CC2)nc1 587639739 DHXBSWWPELDQOF-SFHVURJKSA-N 424.505 0.652 30 20 HCED CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588869192 JAXJQLJHUPPGSP-KGLIPLIRSA-N 412.368 0.157 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 589491758 GGMMLSPZTLLNQW-UHFFFAOYSA-N 413.502 0.618 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 590419134 DBHGYDXASNAYGQ-GFCCVEGCSA-N 407.452 0.783 30 20 HCED Cc1ncc([N+](=O)[O-])n1CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 611614874 YSGZRJPHAAZMMI-UHFFFAOYSA-N 404.452 0.978 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 618984871 DQQRHWXPMQFUPA-UHFFFAOYSA-N 415.313 0.715 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 726042628 LSEWNUYEWBOMGQ-SECBINFHSA-N 422.325 0.581 30 20 HCED CS(=O)(=O)NCCNC(=S)N1CCN(c2c(C#N)cnc3ccccc23)CC1 727085764 ZRBXQZKDNIJUPC-UHFFFAOYSA-N 418.548 0.652 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCOC2)CC1 727907644 NYQMKZYBTKQFDF-MRXNPFEDSA-N 421.475 0.361 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1=O 731515844 LBXRJTGAMIIHAC-CYBMUJFWSA-N 416.346 0.220 30 20 HCED CC(C)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733156700 MHWQWTKKSABXAK-QGZVFWFLSA-N 421.567 0.503 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 734442747 CEZKOWMTROPICA-SFHVURJKSA-N 403.504 0.472 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1 739716343 DOBQEINZIGJERN-UHFFFAOYSA-N 420.395 0.793 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)/N=C1/NS(=O)(=O)c2ccccc21 742599850 ZLKANNNBOVCLLC-RBSFLKMASA-N 406.508 0.483 30 20 HCED C[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)CN1CCN(C)CC1 742670607 LKDWCUKAFGOCID-HZPDHXFCSA-N 421.567 0.503 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745353525 NCWDQWNUQBMBLP-HIFRSBDPSA-N 412.512 0.836 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 748225241 DGJXKJDTXDKWAW-UHFFFAOYSA-N 418.431 0.703 30 20 HCED CC(C)CNC(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748749210 FMJFYRRTMYLSQL-AWEZNQCLSA-N 424.548 0.789 30 20 HCED CC(C)(C)OC(=O)N1CC(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 762651925 FCPCSKLGYWZSCT-UHFFFAOYSA-N 408.480 0.708 30 20 HCED COc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763399654 FMMFYNZHAUFDBH-KRWDZBQOSA-N 406.402 0.936 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCS(=O)(=O)CC2CC2)ccc1F 765714867 ICLODVGWGJJCCX-UHFFFAOYSA-N 404.485 0.845 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)cc1 773298990 ADGPHNARFPNHFR-UHFFFAOYSA-N 423.491 0.310 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)C1=O 776512172 PZYOACWJHLQERQ-STQMWFEESA-N 408.455 0.820 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC)c2ncccc12)[C@H]1CCS(=O)(=O)C1 783480874 VLVTUWOVGHEXOM-ZDUSSCGKSA-N 401.444 0.831 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 783616175 CABYWLZFOMWVIU-UHFFFAOYSA-N 414.427 0.701 30 20 HCED COC(=O)[C@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1cccc(C#N)c1 786363200 IMEFEYZEGJHYDH-HUMVNOLHSA-N 412.398 0.868 30 20 HCED CCCNC(=O)c1cccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 787833424 QDFCZVOQAUVYQH-UHFFFAOYSA-N 408.462 0.938 30 20 HCED CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)=NO1 788661531 MBEHGVFHCFGAFF-KTEBKFLVSA-N 407.427 0.299 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cn(C)nc2C(F)(F)F)n1 789789553 ZOMBSKCKPMSNTD-UHFFFAOYSA-N 412.372 0.882 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN([C@@H](C)c2cccnc2)CC1)c1cc[nH]n1 789978275 JLGMXFUCZVISOS-HNNXBMFYSA-N 414.466 0.994 30 20 HCED C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 798747036 BNFSTLKSCKQFOS-NEPJUHHUSA-N 420.451 0.531 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(CC)c1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 799260855 BTLJJSGMWQGJGX-SNVBAGLBSA-N 406.386 0.509 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC2CC(NS(C)(=O)=O)C2)ccc1F 801458966 LXELHHPFHSKISE-UHFFFAOYSA-N 405.473 0.100 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccncc1 805812387 VJPPETBEUHKLCF-IBGZPJMESA-N 413.522 0.972 30 20 HCED C[C@@H](C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1ccc2ccccc2c1=O 805881382 VOROIISPGYHRRF-XJKSGUPXSA-N 401.444 0.528 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)n1 806263368 JKICGFSFXFRMCB-UHFFFAOYSA-N 417.510 0.256 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC4(CC3)OCCO4)C2=O)cc1 808179069 PLSDUQAXYGWAIJ-KRWDZBQOSA-N 412.446 0.535 30 20 HCED C#CCN(CC#CC)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C 809825620 JUZMBCGRSCQIRJ-UHFFFAOYSA-N 413.503 0.966 30 20 HCED Cc1cc(NC(=O)COC(=O)c2cc(O)cc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 811185027 XFQIYJCCKGGBDX-CQSZACIVSA-N 418.431 0.924 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250657 UVHJDCYXTKJFPV-UHFFFAOYSA-N 419.457 0.832 30 20 HCED CN(C)C(=O)COc1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 918266329 XUDRTTYULNZRNA-UHFFFAOYSA-N 410.434 0.587 30 20 HCED C=CCN(C(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)[C@@H]1CCS(=O)(=O)C1 1116190273 DPULEHNTSHCOMS-SECBINFHSA-N 419.389 0.528 30 20 HCED 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RMBFJNVNSHQTCG-JXFKEZNVSA-N 404.467 0.524 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)CCC1 1840813785 VYZUOLLUSHGAJR-NRFANRHFSA-N 424.461 0.493 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccnc(NC(C)=O)c1)C2 1841054562 PGGRSYUFTSTTPS-WAYWQWQTSA-N 411.462 0.715 30 20 HCED CC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169577 HROLRLRMXDYKHK-UHFFFAOYSA-N 409.368 0.925 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncon2)C1 1844594523 FHSKUNWWYNPODZ-ZDUSSCGKSA-N 403.439 0.803 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845992808 DSFQHEZNXUQRMN-CQSZACIVSA-N 408.499 0.925 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H]1CNC(=O)C1)C2 1847068685 GEUQLAWRQJQKBH-CABCVRRESA-N 418.494 0.243 30 20 HCED CC(C)(C)OC(=O)N1CC=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1847728193 BNVSALRDBGAWQK-GJZGRUSLSA-N 403.435 0.453 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC=O 1847939738 FJXLSIIGDTYDIT-UGUYLWEFSA-N 408.499 0.792 30 20 HCED CCOc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 14144453 ZCWCEVFQAMSNMC-UHFFFAOYSA-N 420.451 0.208 30 20 HCED CCN(C(=O)COC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H]1CCS(=O)(=O)C1 17223901 ZVAMPBRSAWFOBG-AWEZNQCLSA-N 423.491 0.375 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C2CC2)c1 47916946 YSRRDIDEWUYGKW-UHFFFAOYSA-N 403.398 0.770 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3cccc(OCC(N)=O)c3)NC[C@@H]2C1 305041521 VTRIPQUIBSQXHM-OAHLLOKOSA-N 403.483 0.931 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)C1=O 410115562 APVCIMDAZONCHY-MRXNPFEDSA-N 400.483 0.151 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 410141192 FJSUELXBNAGHEP-GOSISDBHSA-N 405.524 0.890 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)CCO1 410145076 ZSBBNQBZWQGKDN-ZIAGYGMSSA-N 400.457 0.608 30 20 HCED CN(Cc1cn2c(n1)CCCC2)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 429859847 NGFKWSHEBCCYPD-UHFFFAOYSA-N 418.461 1.328 30 20 HCED CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432871453 LBJLRWRMZKDTME-UHFFFAOYSA-N 401.286 0.373 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)c2ccc(C#N)s2)cn1 435418261 OYYQAOHOYGPPAI-ZDUSSCGKSA-N 400.507 0.997 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 436131842 QWIAPBSDNHOLGH-UXLLHSPISA-N 422.507 0.647 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 437396948 YJIYWMQFDSMDAY-AWEZNQCLSA-N 422.507 0.963 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)c1C 438754285 JZDZTTLNSJNMHR-UHFFFAOYSA-N 409.512 0.583 30 20 HCED CNS(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 439818272 FCJOLUUXWLRFOE-UHFFFAOYSA-N 419.511 0.416 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1 442153969 LAHDVUQKIMBVKI-MRXNPFEDSA-N 417.466 0.719 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)c1 448480687 CMDHTOBPNTWIAD-UHFFFAOYSA-N 407.356 0.999 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463208610 XWTHDHTUVYMGGX-WUOIFLIFSA-N 408.458 0.558 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N(CC#N)CC#N 467114914 COVXYMMDRAIIRV-UHFFFAOYSA-N 400.464 0.945 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 470321691 CBMYSYATMZFQLD-HOCLYGCPSA-N 416.507 0.744 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccon2)c1=O 478845570 OENPBHFRGPXQBO-UHFFFAOYSA-N 424.486 0.505 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC 478851196 ULMKEIBUIZYRBJ-UHFFFAOYSA-N 417.535 0.753 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2=O)cc1 486020803 SCQWAGFNQSMPNB-KURKYZTESA-N 408.458 0.951 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)CC1 502911443 ODFHLDJFAOZRLU-MRXNPFEDSA-N 409.475 0.900 30 20 HCED Cc1cc(N[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1CCC#N 504377258 VSZAWZKRAZMWCM-CQSZACIVSA-N 404.496 0.912 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508645543 BDFFORSAVQROGL-RBUKOAKNSA-N 415.494 0.388 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)[C@H]1CCS(=O)(=O)C1 508710135 SFFIUXWMIXAEPO-LBPRGKRZSA-N 412.493 0.043 30 20 HCED CC[C@H]1C(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521247548 MXTRSVYCSCQCGX-KRWDZBQOSA-N 404.492 0.696 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1cnn(CC)c1 523182730 YXUWLFVOGGPHII-UHFFFAOYSA-N 411.512 0.982 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 524709842 DFQZJRDMFCESAK-UHFFFAOYSA-N 401.510 0.327 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(COC)o2)c1=O 532194485 DMWMDYCOPYLDJS-UHFFFAOYSA-N 419.503 0.713 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)n(CCC#N)n1 535570456 VSQAWBGGMWKUSM-ZWKOTPCHSA-N 410.478 0.795 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 545341785 UEQPSWKWGKWFOW-HNNXBMFYSA-N 410.448 0.667 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)OC(C)(C)C)C1 550102617 ZXTNGQSMLBRSDI-HZPDHXFCSA-N 419.478 0.791 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1[C@@H](C)c1cccs1 551921301 PFUSGWOWLPORJB-LBPRGKRZSA-N 413.528 0.872 30 20 HCED CN(CC(=O)N1CCC(n2cnnc2O)CC1)S(=O)(=O)c1ccc(C#N)cc1 551930481 WDJDHFUSZGFOJR-UHFFFAOYSA-N 404.452 0.340 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(C(N)=O)nc3)C2)c(F)c1 554156109 WWVUYWZAMFECET-OAHLLOKOSA-N 424.436 0.593 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccccc2C)CC1 566520920 YULSGGXICBPOKG-UHFFFAOYSA-N 400.523 0.835 30 20 HCED Cn1cnn(-c2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)c1=O 568938008 SIRKLCQQEOJLSC-UHFFFAOYSA-N 412.431 0.360 30 20 HCED C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O 569901225 OYTCADGJDWDDJL-HNNXBMFYSA-N 418.493 0.405 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 575938724 PKEMVHQUIKZAQK-UHFFFAOYSA-N 406.472 0.605 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 576231358 DXBYDSBXPUPOKX-GOSISDBHSA-N 414.510 0.075 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 584874229 OIXUHTFFYFTWFO-UHFFFAOYSA-N 400.485 0.447 30 20 HCED CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587647882 NOAVVNJTGBQGLA-UHFFFAOYSA-N 412.494 0.365 30 20 HCED CN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 588865318 XEXHLVFQKPYWLD-MJGOQNOKSA-N 411.506 0.970 30 20 HCED CCc1nn(CC(=O)c2c(O)nc(=O)n(CC(C)C)c2N)c(=O)c(C#N)c1CC 599464427 RYGDMDONYUCRSH-UHFFFAOYSA-N 400.439 0.623 30 20 HCED Cc1noc(CCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 608984741 UMBAATYWBZEXLJ-UHFFFAOYSA-N 418.479 0.898 30 20 HCED COCCN(CCN(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 609189447 WARXOLLKGKZPNA-UHFFFAOYSA-N 422.551 0.996 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)CC1 729281466 BXSOAZXOXJDUIH-UHFFFAOYSA-N 423.517 0.950 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 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C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 780063468 NQTMWXMFKSTQAQ-NVXWUHKLSA-N 413.478 0.681 30 20 HCED CC(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 783256305 KNIGHNZTTIEFTM-HNNXBMFYSA-N 405.455 0.597 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 783481904 RIBCYCGZIACMOC-CYBMUJFWSA-N 421.866 0.508 30 20 HCED N#CC1(NC(=O)COC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 784210435 PSINZZILMLJKKQ-UHFFFAOYSA-N 410.408 0.369 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCC[C@@](C)(C#N)C1 785069733 YNYIZJHBWAXBGO-IBGZPJMESA-N 404.492 0.978 30 20 HCED COC(CN(CCCO)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)OC 785077240 XCYSUDKVNVNCBI-UHFFFAOYSA-N 416.438 0.216 30 20 HCED COC(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 785492897 JPDQOCFIHKFVHP-NXVVXOECSA-N 409.420 0.287 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786291477 FPLQBMGDPPAEIY-UHFFFAOYSA-N 416.482 0.954 30 20 HCED CC(C)OCCN1CCC(NC(=O)C(=O)NCCNc2ncccc2C#N)CC1 787778716 QQHNEGKDAQXDPE-UHFFFAOYSA-N 402.499 0.487 30 20 HCED CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)ncn1 806269247 GZHJJKRCTJKBLZ-QGZVFWFLSA-N 422.493 0.619 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 806760050 APJGJSVPJBPBTM-CQSZACIVSA-N 416.482 0.631 30 20 HCED COc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)cc1C#N 808339916 YRYSPZTXFGHXFC-QZTJIDSGSA-N 400.479 0.677 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)[C@@H]1CCCO1 809313307 SIOAYRCHPOFOIO-CVEARBPZSA-N 405.401 0.546 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc3c2OCC(=O)N3)n1 810405992 RURDOMTWCOMEMF-UHFFFAOYSA-N 411.418 0.461 30 20 HCED CN(C)c1c(COC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)c(=O)n(C)c(=O)n1C 814060449 JVGDHQKMBLCDMM-KRWDZBQOSA-N 411.462 0.734 30 20 HCED CC(=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cnnn1C 814696917 QXUHQKIRKPZJGH-UHFFFAOYSA-N 409.428 0.580 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 826810697 WEMMBNQGPHPJIV-ZDUSSCGKSA-N 410.448 0.011 30 20 HCED NC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 913403663 ZCUPQYGJAXEAEH-UHFFFAOYSA-N 400.460 0.921 30 20 HCED CN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918237614 OTPAPBCTDQOOBT-LTGZKZEYSA-N 409.512 0.506 30 20 HCED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ncccc1C#N 918268515 DCPOKRXUNUNQFN-UHFFFAOYSA-N 410.434 0.830 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1CC(=O)N(C)C 918730300 XWCDJOFAEQXWGG-UHFFFAOYSA-N 424.526 0.366 30 20 HCED COC(=O)[C@@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 926449405 GRKNKMOIXLSKHH-OAHLLOKOSA-N 401.444 0.626 30 20 HCED C=CCCn1cc(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 944693693 ADARLUDWYFJQDM-GZHKEPGYSA-N 401.467 0.235 30 20 HCED COC(=O)C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1116231089 QXKSUUPTBRFNEF-JKSUJKDBSA-N 414.418 0.554 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2=O)cc1 1252802121 QEBSPCPVCCSSBP-RQOBALISSA-N 418.453 0.834 30 20 HCED CC(C)CN1CCO[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1287786642 KSBGTWVAQJKEPG-BZSNNMDCSA-N 404.515 0.868 30 20 HCED CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1303458349 YRGSDLQJRPQLQT-HOCLYGCPSA-N 409.464 0.454 30 20 HCED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)c1 1307371927 JCCOKAUQDAYINK-UHFFFAOYSA-N 404.423 0.392 30 20 HCED C[C@]1(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)NC(=O)NC1=O 1319064444 HJTHUPYDXFWBEC-LJQANCHMSA-N 418.475 0.310 30 20 HCED CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1558285109 FORASPKCXAPOSU-HIFRSBDPSA-N 423.491 0.732 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](S(N)(=O)=O)C1 1623181479 WNIZVSHOIIXBGU-JTQLQIEISA-N 402.270 0.979 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1628253925 LIZOPMHBMLIUOG-UHFFFAOYSA-N 407.540 0.321 30 20 HCED N#Cc1nccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 1642262973 SUHAEKDKGKNIQX-UHFFFAOYSA-N 400.420 0.190 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705747986 ZAUNJNHTTFYVRD-TZMCWYRMSA-N 413.935 0.817 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1729620253 MIOFBADNDDMSBH-YCRPNKLZSA-N 411.510 0.702 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779218806 DTHOVHBEYREQCG-TWOQFEAHSA-N 405.499 0.317 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343853 JGXRFBUXLRURCJ-YCRPNKLZSA-N 418.494 0.960 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cnc(OCF)cn4)CCO3)C2)c1 1780332045 KQERABXQYVHYDD-LJQANCHMSA-N 414.397 0.739 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1780597214 MPJXLPHQPIDJSQ-IBGZPJMESA-N 410.390 0.947 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1781397521 XHFHGWQVPWNNIE-SJCJKPOMSA-N 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C=CCN(CC(=O)N(C)CC(=O)Nc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 533387586 JRHHSANBNFTXEG-INIZCTEOSA-N 409.508 0.767 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1 537068440 CLQVWNVHHKMIJV-CVEARBPZSA-N 402.451 0.293 30 20 HCED COC(=O)c1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 538829058 CWRYIDCWDORLSO-UHFFFAOYSA-N 415.431 0.282 30 20 HCED Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 544067278 GIPBIODOURGANQ-UHFFFAOYSA-N 421.504 0.420 30 20 HCED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)NC(C)C)CC1 549256790 DDJCEXBBPADROF-MRXNPFEDSA-N 424.571 0.403 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1 550485809 HEJUISSNOGGKAV-CQSZACIVSA-N 406.458 0.458 30 20 HCED COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC#N)cc1 553307686 BRTTYQBHVCORKE-UHFFFAOYSA-N 402.432 0.866 30 20 HCED Cn1c(N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c(C#N)c(=O)n(C)c1=O 553676173 GBCMNYSCYQCCDW-SFHVURJKSA-N 408.506 0.352 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)c1ccc(C#N)cc1 556038866 QSRUFWDAJFJEIR-IRXDYDNUSA-N 411.506 0.891 30 20 HCED C=CCN(CC(=O)NCC(=O)Nc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 557662827 RKCHOUNFWSLQGU-OAHLLOKOSA-N 409.508 0.733 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3cnc(C4CC4)nc3)CC2)c1 564170632 QSOBNYWHJJJAGF-UHFFFAOYSA-N 405.462 0.628 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 566000577 KBDYQISSBWWGGJ-UHFFFAOYSA-N 412.415 0.348 30 20 HCED Cn1nc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1OC(F)F 571425250 YAUSOYJPAPJIES-UHFFFAOYSA-N 405.365 0.575 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 579397161 FIHMQJQARNRRNG-UGKGYDQZSA-N 414.506 0.903 30 20 HCED C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 583708704 QVRLQWBTKGGPEG-GJZGRUSLSA-N 417.558 1.127 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)nc1 585689094 XWQRTPSCYJSVEK-UHFFFAOYSA-N 412.494 0.511 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ccncc4)CC3)CC2)nc1 587653695 IWEQHJPKYLUPNF-UHFFFAOYSA-N 419.489 0.782 30 20 HCED Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)n1 588122985 NRZBSLLZOJEXKF-MRXNPFEDSA-N 412.494 0.671 30 20 HCED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588982909 PUYJKVODZIJOMB-UHFFFAOYSA-N 416.482 0.351 30 20 HCED C[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 589138422 GKQHDWYMOFTIRW-FXAWDEMLSA-N 413.522 0.428 30 20 HCED C=CCc1ccc(OCC(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(OC)c1 605379063 FRFAZYYKPJCDDA-SFHVURJKSA-N 417.506 0.852 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCO[C@@H](C#N)C1)n2C 609268617 HFUSPNJDESPVAU-ZDUSSCGKSA-N 405.480 0.507 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 609992247 JPPRCRDIFZPEPK-KBPBESRZSA-N 409.464 0.623 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 610004843 MFWBNDRDYRUXQT-HXUWFJFHSA-N 401.515 0.490 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cn1 613105027 IPOFQVOOCCUIAT-INIZCTEOSA-N 421.461 0.985 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3cnccc3c2)c1=O 618639348 XAMJHFIVBZBEDG-UHFFFAOYSA-N 408.483 0.744 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)Cc2ccccc21 725742273 FGXVLYDDOFOKEE-UHFFFAOYSA-N 412.471 0.821 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(I)c2)CC1 728534937 XZDOTUIUGXMOOM-UHFFFAOYSA-N 411.243 0.798 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCNc1ncccc1C#N 732504361 UUINUGVYQPESHN-UHFFFAOYSA-N 419.463 0.582 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2ncn3nccc3c2=O)C1=O 732826047 MSRRGFLAFWTNHA-SFHVURJKSA-N 403.443 0.593 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCc2c(C)nc(SC)nc2O)CC1 733149175 AFUQETZTVFGOLL-UHFFFAOYSA-N 405.524 0.429 30 20 HCED CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 746020412 UEUMOACSSMEQBJ-MUOMHZFWSA-N 405.415 0.470 30 20 HCED C[S@](=O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 746608123 CMJGUBPBHKUTAZ-WZQKQDCOSA-N 405.501 0.961 30 20 HCED COCCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCN(CC#N)C3)cc2S1(=O)=O 748320755 DKRIFQYIQWBEQM-AWEZNQCLSA-N 420.491 0.443 30 20 HCED CO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 752134449 SPTZIJJNRYZVBF-HUSAPJIJSA-N 408.480 0.685 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 757290258 DDMYWYUCIZGUNA-AWEZNQCLSA-N 417.433 0.605 30 20 HCED N#C[C@H](C(=O)CN1CCN(c2nc(N)ns2)CC1)c1nc(O)c2ccccc2n1 759353854 IYRFYAIIRVHPSA-GFCCVEGCSA-N 410.463 0.768 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 767535190 ATMUDKCDVYZQSK-UHFFFAOYSA-N 401.467 0.816 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)OCCOc2c(C#N)cnc3ccccc23)CC1 778629461 NNSBGIPMEOOUHH-UHFFFAOYSA-N 418.475 0.606 30 20 HCED CN(CCS(=O)(=O)NCc1ccc(C#N)cn1)S(=O)(=O)c1ccc(F)cc1 780888477 VWAPIVULUVOERC-UHFFFAOYSA-N 412.468 0.832 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 782984231 PPFGKJUCRZLLSK-UHFFFAOYSA-N 402.494 0.038 30 20 HCED C[C@]1(c2ccc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)cc2)NC(=O)NC1=O 783966427 XERLYHPBCNAIHB-LJQANCHMSA-N 406.358 0.718 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)NC2(C#N)CCC2)CC1 784198385 BZRBZMWKWGYMPG-UHFFFAOYSA-N 423.495 0.533 30 20 HCED C[C@@H](CC(=O)N1CCc2nc(N)ncc2C1)/N=C1/NS(=O)(=O)c2ccccc21 790056708 STQPYHNZZYCULI-NSHDSACASA-N 400.464 0.461 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 794581234 JKLKRYDMARFEOX-UHFFFAOYSA-N 417.535 0.609 30 20 HCED C=C[C@H](C(=O)OC)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 800358527 KOEKTINZHMULRC-CQSZACIVSA-N 403.501 0.281 30 20 HCED C#CCN1CCN(c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2C)CC1 800733235 MIXDRPPSKAKZLV-UHFFFAOYSA-N 402.524 0.699 30 20 HCED C[C@H](OC(=O)c1cnccc1C#N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 805717892 AVXQKUMDIGVOCF-LBPRGKRZSA-N 402.432 0.505 30 20 HCED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 806240484 WKKFYGCZRHHMGL-SFHVURJKSA-N 405.462 0.894 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 811836496 YDEFISQXRAMNGC-SFHVURJKSA-N 411.480 0.823 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 916891158 QOINGXXPMQLWFF-ZDUSSCGKSA-N 422.235 0.907 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1055605605 MGLLUEIKZUMDAC-GCNBINEPSA-N 403.523 0.698 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCN2C(=O)COc3ccccc32)c1 1117671240 CNALNVXUZMDFTA-UHFFFAOYSA-N 414.443 0.378 30 20 HCED COCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1136269727 OBAGNZMWEOALGY-CQSZACIVSA-N 404.854 0.882 30 20 HCED Cn1cc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 1184955508 MJSMMTHKYXBKNH-UHFFFAOYSA-N 403.464 0.254 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2=O)cc1 1252802110 QEBSPCPVCCSSBP-HGDKKCICSA-N 418.453 0.834 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nncn1C 1288814228 CBKPAUUEGDYYSD-GFCCVEGCSA-N 407.504 0.195 30 20 HCED C[S@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302509068 YFLDSSOWNRQIMW-POXGOYDTSA-N 406.512 0.430 30 20 HCED COCC[C@@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1315966438 RPSXPVWSMVAHNQ-SUMWQHHRSA-N 414.532 0.416 30 20 HCED C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359476125 XYXKIRXIRDINKB-RDTXWAMCSA-N 404.496 0.409 30 20 HCED N#Cc1cn(CCC(=O)NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(=O)nc1O 1452526508 PRBMMCHCSKEERB-SNVBAGLBSA-N 401.345 0.128 30 20 HCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1503368009 NKUAQUPVOHGTRU-INIZCTEOSA-N 409.450 0.936 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1521115479 WTANMAXORUCEBL-HNNXBMFYSA-N 422.511 0.762 30 20 HCED CS(=O)(=O)c1cc(C(=O)N(CCC#N)CCN2CCOCC2)c(Cl)cn1 1544337250 PSYVPRZTPLNGSR-UHFFFAOYSA-N 400.888 0.827 30 20 HCED N#Cc1cn(CC(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c(=O)nc1O 1627198825 LGHGGACFYLUDDY-UHFFFAOYSA-N 410.459 0.775 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)c(=O)nc1O 1630030799 WOXMGWDDEOQGRK-CYBMUJFWSA-N 405.208 0.703 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1631886862 YUHFVTDXHMURSS-STQMWFEESA-N 405.455 0.972 30 20 HCED N#Cc1ccn(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(=O)c1 1652962440 NNZWKZOYOOAUGJ-UHFFFAOYSA-N 400.460 0.394 30 20 HCED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1693565037 WLMYHNGSMOQVQY-KRWDZBQOSA-N 415.523 0.653 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)c1ccccc1 1779186050 XDBCCYUOLSCJID-JPYJTQIMSA-N 422.485 0.889 30 20 HCED CCOC(=O)N[C@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1779198619 YCBHBZZVHJFEMI-ZXYWRSMDSA-N 410.471 0.115 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780256418 WDSGQPXNKXOXTD-MDAVEZEFSA-N 418.450 0.760 30 20 HCED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171383 VMOQSMNRSBIKRQ-OAQYLSRUSA-N 414.462 0.075 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cc[nH]n2)C1 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C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 426808008 PRDXSMBSKVGUPQ-IBGZPJMESA-N 423.433 0.693 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cn(-c3ccc(Cl)cc3)nn2)c1=O 431221649 MRBOKTPVWJEZIM-UHFFFAOYSA-N 400.826 0.826 30 20 HCED COc1cc2c(c(OC)c1OC)CCN(c1c(C#N)c(=O)n(C)c(=O)n1C)CC2 432066214 JZRGTAQBGRWWKA-UHFFFAOYSA-N 400.435 0.587 30 20 HCED CN(CC(=O)N1CCO[C@@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 434297307 FEKAFIQCIMEHCH-QGZVFWFLSA-N 403.464 0.512 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 439339601 IYDRABLGIDQQKH-ZDUSSCGKSA-N 424.479 0.415 30 20 HCED CCC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 441588594 KCFMADGVZFNEJV-OAHLLOKOSA-N 414.853 1.463 30 20 HCED C[C@H](O)CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)CO 443311790 TVUJSBKINJAYKP-GJZGRUSLSA-N 417.466 0.518 30 20 HCED CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 444404031 KJNPXKDZSBPKQL-GOSISDBHSA-N 416.507 0.542 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)n1 444505009 FDHOQMIWJRTDEM-UHFFFAOYSA-N 412.425 1.295 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(-c2cn(C)c(=O)n(C)c2=O)no1 445545606 AELSVGBNCJENJO-UHFFFAOYSA-N 406.406 0.450 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)ccc1C 446151379 JKLRGHRHRCYQDB-OAHLLOKOSA-N 413.499 0.562 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(C)c1 446526631 AGBZBIYYELQZRO-UHFFFAOYSA-N 415.494 0.758 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N 472094541 MRASWVCZHXRZCO-HOTGVXAUSA-N 403.531 0.931 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482502496 UIYVANQZAXHCNJ-CABCVRRESA-N 422.507 0.321 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1C 483819016 JFTUWVCGKNEGFV-UHFFFAOYSA-N 410.434 0.524 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCO[C@@H](COCC3CC3)C2)cn1 486730834 YPFQZFFXZLCLKS-QGZVFWFLSA-N 410.434 0.731 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(C)C 495967213 UXJOTURIKIBOQZ-KZNAEPCWSA-N 411.568 0.837 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)N(CCC(N)=O)Cc3ccccc3)CC2)nc1 497497970 YFFAADUVUHKSIL-UHFFFAOYSA-N 406.490 0.979 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCO1 501915638 KJZHUNPAWCJHOV-OAHLLOKOSA-N 413.459 0.984 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504496778 OVZSCLNWULBTLT-UHFFFAOYSA-N 417.514 0.446 30 20 HCED CCC(CC)(NC(=O)C1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C1)C(N)=O 504701578 AEAAYLGRCDACHD-UHFFFAOYSA-N 406.508 0.424 30 20 HCED N#CCC1(O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 506366561 ZXKPFLHOQZBUAV-CYBMUJFWSA-N 408.436 0.482 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 506674519 BGAGMWVMNKPDAP-INIZCTEOSA-N 422.507 0.423 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 509269750 LXQGCFFDWVJUDB-GFCCVEGCSA-N 408.440 0.932 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513984004 XHRAYRNEVGNBPC-AUUYWEPGSA-N 419.507 0.713 30 20 HCED N#C[C@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCO1 519292156 QMZUELFOKATEQJ-KRWDZBQOSA-N 408.480 0.283 30 20 HCED COC(=O)c1ccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 519669885 BALKMCADHLRZGC-UHFFFAOYSA-N 410.430 0.977 30 20 HCED COc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 527393969 JPXAVEJKZMNWMF-INIZCTEOSA-N 406.402 0.936 30 20 HCED C=CCNC(=O)CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 540793088 NASGBEYKDCBBHJ-OAHLLOKOSA-N 410.452 0.556 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc2cccnc12 544078527 USNWDPVIHKDCHH-UHFFFAOYSA-N 420.494 0.665 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cccc4c3OCO4)C2=O)cc1 551627885 ACYHXXSIXYXODI-QGZVFWFLSA-N 420.425 0.820 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 555019069 FMCJANITZZBBKI-UHFFFAOYSA-N 417.447 0.740 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1)C(N)=O 561417600 KHQWNQAFRCMMAX-IBGZPJMESA-N 408.499 0.867 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 571712729 SSDFTTZFYHRWQZ-UHFFFAOYSA-N 424.526 0.302 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 583896838 QEQUCAHMVNWXDP-LHOHCCBWSA-N 417.535 0.798 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 584745165 IELPJVASGQOKAA-IAGOWNOFSA-N 408.543 0.533 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587667176 YVSVLMFZVSRQCA-DLBZAZTESA-N 401.467 0.348 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 588125458 CDMQYBOKFFIPAV-UHFFFAOYSA-N 400.439 0.348 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 589411407 USVZSGZIXZLNIO-LBPRGKRZSA-N 402.436 0.113 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 604149870 UCTRPQQYDRBCDG-UHFFFAOYSA-N 405.414 0.385 30 20 HCED CS(=O)(=O)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604179694 OWYABKWWJZXMTH-UHFFFAOYSA-N 413.521 0.510 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C 608474568 KUEBRYLITFMNFA-UHFFFAOYSA-N 412.471 0.581 30 20 HCED N#Cc1ccc(N2CCC(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)nc1 608982051 XDMCFDGVZOSDSJ-UHFFFAOYSA-N 421.504 0.548 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 609836147 OLLVJESBFARZTL-INIZCTEOSA-N 415.494 0.258 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 610125107 ABIVKYOGBPSTLQ-CQSZACIVSA-N 411.505 0.918 30 20 HCED COCCCS(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 610912698 TUIRLFWZADVBBZ-QGZVFWFLSA-N 412.487 0.490 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscc3Cl)c(=O)n2C)CC1 610929056 UQOBVZLWRDWLBG-UHFFFAOYSA-N 422.963 0.829 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 619763457 UYUXUZWPJDJGLB-UHFFFAOYSA-N 405.524 0.856 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@H](C)c1cc(OC)ccc1OC 671193844 DPDKRSCXXDAXMQ-LLVKDONJSA-N 410.452 0.838 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CCn2cc[nH]c(=O)c2=O)CC1 727848218 JAZKCKRRANDJNX-UHFFFAOYSA-N 410.390 0.395 30 20 HCED COC(=O)[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 728689053 IEPHEZYLBGFSMV-OQCHKFKFSA-N 424.479 0.905 30 20 HCED CC(C)NS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731862762 LKZAUOQPRZEMNS-FBMGVBCBSA-N 406.464 0.630 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732444928 UEQFSBHOZHRNHF-WUKNDPDISA-N 421.479 0.099 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 732704284 NMQVMJHMVQEPJW-UHFFFAOYSA-N 414.437 0.879 30 20 HCED CCOc1cccc2c1OCC(C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)=C2 732908763 QTSKPZLXXRQLMB-OAHLLOKOSA-N 404.444 0.827 30 20 HCED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 733162031 BWDWYJXBNQNTDM-UHFFFAOYSA-N 405.520 0.873 30 20 HCED CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)O)cc1 733204412 RKTVGVPKXFITTI-UHFFFAOYSA-N 419.525 0.530 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1c(Cl)nc2sccn12 735082833 RDYCNVPHHTTZBB-PKNBQFBNSA-N 401.857 0.854 30 20 HCED CNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCO2 735225492 KJOWEDCYISZMSY-CQSZACIVSA-N 404.448 0.762 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 737225525 SJAWVUATFMXEAC-UHFFFAOYSA-N 401.872 0.823 30 20 HCED COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737278404 ZKGLERAYDJLZFO-DMJQWXIHSA-N 424.479 0.363 30 20 HCED CN(C)S(=O)(=O)c1cccc(COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 741345346 XMTPWZLZONDIMO-ZCXUNETKSA-N 407.448 0.897 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(C#N)cn2)cc1 742043761 GDIYMODCXGPIBO-UHFFFAOYSA-N 415.475 0.657 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 746456103 XJCBOFLCTWGAES-UHFFFAOYSA-N 420.422 0.266 30 20 HCED O=C(Cn1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1)NC1CCCC1 747545648 CFXSRJSWHOCADU-ISLYRVAYSA-N 415.454 0.590 30 20 HCED C#CCNC(=O)[C@H](C)On1nnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21 749780810 YQPLOKPPRPVUBI-KFWWJZLASA-N 419.507 0.664 30 20 HCED COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)c1cccc(C#N)c1 751669590 YQZVSFXXVXSIHU-HNNXBMFYSA-N 424.456 0.961 30 20 HCED CCn1c(S)nnc1CNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 755372590 TXLFVBFUOGWZLM-UHFFFAOYSA-N 404.452 0.738 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 757161003 PLRSKBJAUCUCOL-UHFFFAOYSA-N 420.285 0.909 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O 768707667 TZINNMGYJPFYDI-CWTRNNRKSA-N 408.455 0.821 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-c2ccncc2)cc1 771897796 RPVPZSOLKHDSOD-UHFFFAOYSA-N 413.459 0.849 30 20 HCED CCCCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771897843 SOZMHYHNKBLIFU-UHFFFAOYSA-N 408.480 0.965 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[C@@H]1CCCO1 773795845 XAUHJJYTLPEUGN-ROUUACIJSA-N 414.462 0.193 30 20 HCED N#C[C@@H](C(=O)c1cnc(Oc2ccccc2)cn1)C(=O)N1CCS(=O)(=O)CC1 773799589 XLABKNDXOZBMEN-AWEZNQCLSA-N 400.416 0.848 30 20 HCED CCOC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 781376053 UBGZSYBRCODIME-SUMWQHHRSA-N 423.491 0.590 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCCS(=O)(=O)Cc1ccccc1 787778272 PRIJOCTVPBYISC-UHFFFAOYSA-N 415.475 0.213 30 20 HCED CN(CCCNC(=O)COC(=O)c1cc(-c2cccc(C#N)c2)no1)S(C)(=O)=O 789118453 YOBXGMCLESLMSO-UHFFFAOYSA-N 420.447 0.768 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)cc(-n2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 792365965 YCKGUYRWSQBOMG-OAHLLOKOSA-N 416.459 0.468 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 796180934 RSFKTKGNDMTTNH-UHFFFAOYSA-N 414.505 0.884 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)nc1 808346387 UOKNOOSFOXJNSA-ROUUACIJSA-N 414.510 0.365 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 809502623 PWQIYPIXJLSIGE-OAHLLOKOSA-N 415.494 0.242 30 20 HCED CC(C)(C)OC(=O)N1CC(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810797647 OHIOGBQKVFQYRK-UHFFFAOYSA-N 408.480 0.820 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 813647043 OKWWOIYPGWIHNH-UHFFFAOYSA-N 404.489 0.590 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(O)c(O)c3O)nc2)CC1 916333533 WDPNTTHUJLOODN-UHFFFAOYSA-N 407.452 0.581 30 20 HCED Cc1c(NC(=O)[C@H](C#N)C(=O)CCCS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 1122493440 QBTBKENKQZBBCW-OAHLLOKOSA-N 418.475 0.957 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)CCOC1 1314143802 WRMBCHQJJDAHMK-LPHOPBHVSA-N 422.555 0.708 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(CC#N)cc3)CC2)cn1 1323465839 NKWYMGRWGXYGQA-UHFFFAOYSA-N 423.520 0.618 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCc4ncncc4C3)CC2)cc1 1540728485 JGPMIEBFKIHUIU-INIZCTEOSA-N 411.487 0.986 30 20 HCED CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1548175780 VILVUPFCRJMYPC-AWEZNQCLSA-N 413.486 0.280 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1555989951 INZVRVRTXRXPQZ-HNNXBMFYSA-N 409.512 0.462 30 20 HCED C[C@@H](CC(=O)N1C[C@@](C)(CO)[C@@](C)(CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 1557929113 RUNYKVDNLBSTPH-FASAQXTFSA-N 409.508 0.343 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](n1cncn1)C(F)(F)F 1565205331 XHBPTEHIGILRQT-WCQYABFASA-N 409.376 0.963 30 20 HCED CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1596957394 NVOHFNZCCSAKOZ-UONOGXRCSA-N 424.527 0.071 30 20 HCED COc1cc(CN2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cc(OC)c1 1630841748 VJFSDQJMCRPMKM-UHFFFAOYSA-N 413.434 0.182 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1698490141 LSWLNGUKQYBZAQ-HNNXBMFYSA-N 409.512 0.462 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N1CCOCC1 1706599105 HHUSWWKSFICBMF-UHFFFAOYSA-N 417.514 0.795 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777928571 NWBVCLCUOOKXJV-NYPGBQQYSA-N 424.461 0.031 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H](C)S)CCO4)cnc2s1 1777990145 NKXFWGJOFGPKHG-KPZWWZAWSA-N 422.532 0.826 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ccncc13)CCO2 1779135629 BDTLTODJYKDOGG-WVYFQRGSSA-N 422.445 0.885 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2 1779535292 OPLLLSYIFPJMGD-SOIKWTOOSA-N 413.478 0.705 30 20 HCED COc1cc(CC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)ccc1[N+](=O)[O-] 1781191228 HNKHOHMAKCEHLS-LJQANCHMSA-N 402.407 0.889 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](N)Cc3cccnc3)CCO2)C1 1781400302 KGVAKRTVDOMQRZ-DJPFJPOOSA-N 417.510 0.582 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)CCO2 1783053215 YOGRXKKFDOVTKL-LJQANCHMSA-N 403.391 0.689 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1783197029 DSJNKDDENPPRAD-WBMJQRKESA-N 405.398 0.092 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)cn3)C[C@@H]21 1783530122 HBWIILZGCNSDOF-CRQUZRIGSA-N 414.462 0.239 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCC=CO3)C[C@@H]21 1783531784 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CNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465424558 UOIWHLLIBAVLEM-AWEZNQCLSA-N 421.461 0.692 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n(-c2ncccn2)n1 467493662 OZYKNFLMZBNCLV-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 467915597 HHJCTGCOLIGVBH-UHFFFAOYSA-N 410.434 0.338 30 20 HCED N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2ncn3nccc3c2=O)CC1 473573936 YMEGKFUSCIHDJU-KRWDZBQOSA-N 411.853 0.953 30 20 HCED Cn1cc(I)c(=O)n(CC(=O)NC2(C#N)CCCCC2)c1=O 478041110 OCDIRKXQUISMAF-UHFFFAOYSA-N 416.219 0.494 30 20 HCED N#C[C@@]1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOC1 478650040 JAKYFNVIQQSQNX-IBGZPJMESA-N 421.475 0.657 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@](C)(O)CN3CCOCC3)C2)n1 480505992 QTGHTTITMDOFHX-NQIIRXRSSA-N 401.511 0.678 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c(C#N)cn1CCOC 481406593 ZKHSSTUNGJGKCV-CYBMUJFWSA-N 419.438 0.840 30 20 HCED CCn1cc([C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)cn1 481933672 HPGMZCGHEQZWBC-GOSISDBHSA-N 417.491 0.995 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 482840927 QQAIXLQKAAVWKA-DOTOQJQBSA-N 406.508 0.406 30 20 HCED Cc1c(C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nnn1-c1ccn(C)n1 489061164 HPOQWFAXQNBTGL-XCLFUZPHSA-N 402.418 0.795 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 490041100 GFTFUNQRIYKQFE-ZDUSSCGKSA-N 408.461 0.594 30 20 HCED C[C@@H](CN1CCOCC1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 502058515 YFAAUXXEOFQAIV-INIZCTEOSA-N 406.508 0.359 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1 510023683 OIHAEVUSNLHDDL-ZDUSSCGKSA-N 404.514 0.180 30 20 HCED CNC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 510261532 YFXPTMOPVZMDQN-UHFFFAOYSA-N 402.474 0.739 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 510289241 XKRDXDCRRVOJOT-GOSISDBHSA-N 405.524 0.809 30 20 HCED CCS(=O)(=O)N(C)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512443313 ASNXMGLFUSETAD-GOSISDBHSA-N 413.588 0.425 30 20 HCED CS(=O)(=O)CC1(CNC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514015840 PGLDGEQTOHTEAK-BFUOFWGJSA-N 402.476 0.866 30 20 HCED CN1CCC(C#N)(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 517581206 ISRZTCNIYDXLJP-UHFFFAOYSA-N 412.537 0.416 30 20 HCED CN(CC(=O)N1CCC[C@H](Cn2cncn2)C1)S(=O)(=O)c1ccc(C#N)cc1 523399258 KXAUMWFRMWVHIO-INIZCTEOSA-N 402.480 0.709 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1 524180542 HGIKLRSDRAQWET-OAHLLOKOSA-N 408.480 0.081 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 530856801 MAKDLPZXBOHQBG-UHFFFAOYSA-N 419.500 0.758 30 20 HCED Cc1nc(C)n(C[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CCO2)n1 536998815 LZIBCHBKSUFJHY-HNNXBMFYSA-N 414.470 0.584 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)n2)c(F)c1 542085340 YWDLZJQEZSOXLT-UHFFFAOYSA-N 420.408 0.960 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c3cccnc23)CC1 546031822 BJZMGAVSFJCUSB-UHFFFAOYSA-N 411.462 0.628 30 20 HCED COCC1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCOCC1 551344917 ZKVCDWXPCJKIEV-UHFFFAOYSA-N 415.425 1.381 30 20 HCED COc1ccc(OC)c(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 555905024 STEVWNOGEYNGHR-UHFFFAOYSA-N 423.473 0.978 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)CC1 557732461 SUHUDGFVPWUKLK-SFHVURJKSA-N 400.527 0.891 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(C#N)(c2ccccn2)CC1 558641011 DUGHNYLCSDRMDX-AWEZNQCLSA-N 402.480 0.566 30 20 HCED CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 561471585 SLZSBNSLNAVZAV-UHFFFAOYSA-N 415.313 0.891 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 561931913 UZZQGQBMFZXPEM-MRXNPFEDSA-N 418.523 0.741 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1 568671914 NVCBSDNBSRPRSP-UHFFFAOYSA-N 411.506 0.847 30 20 HCED CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 573888147 KMINVKUSEPIQRH-WBVHZDCISA-N 424.509 0.882 30 20 HCED CCN(CC)C(=O)CN1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 576189788 UKSLLRDYZZHLSG-UHFFFAOYSA-N 407.540 0.603 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CCC 576590103 PASJHFXKFIWDQC-UHFFFAOYSA-N 417.535 0.582 30 20 HCED Cc1cc(CN2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)on1 579536252 ZUUGBDKEPLINLF-UHFFFAOYSA-N 420.433 0.718 30 20 HCED CN(C)CCN(C)CCCN(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 579892382 LWKXWLCKSDUNPV-UHFFFAOYSA-N 412.498 0.419 30 20 HCED CC(=O)N1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 579983893 KDMUQACCJLCDKC-UHFFFAOYSA-N 411.506 0.720 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)CC1 588123742 IMJQRCMLLVIFRY-UHFFFAOYSA-N 415.469 0.604 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CN(C)Cc4ccccc43)CC2)c1C#N 588766848 ONHGMUGDXBMIDA-LJQANCHMSA-N 421.505 0.552 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 588905503 HWTBCYWTFKVMCX-AWEZNQCLSA-N 416.525 0.506 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(C)c2)c1=O 589755681 MQFNCHIUIARICE-UHFFFAOYSA-N 415.515 0.903 30 20 HCED C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603783242 ZECLWQGXUWNZAZ-WBVHZDCISA-N 406.508 0.548 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCn3cncn3)CC2)c1 607042675 NMERYNWGJYPNMI-UHFFFAOYSA-N 404.496 0.200 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 727605417 JWEPMWVKWWICKZ-UHFFFAOYSA-N 406.512 0.599 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 730273328 QBMHZBXILNCZLA-KRWDZBQOSA-N 417.491 0.199 30 20 HCED COC(=O)CCCc1nnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 739668041 YNWRWNSOHDKTNS-UHFFFAOYSA-N 423.476 0.711 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 743725035 ARDPJHPXJUKNON-UHFFFAOYSA-N 412.471 0.583 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCN(c3cnn(C)c3)C2=O)cc1 744633693 UFZUQFQHBYTLCX-KRWDZBQOSA-N 416.459 0.684 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)NCCO)s1 745146972 WUYFNYCUOVERMS-LLVKDONJSA-N 403.482 0.184 30 20 HCED C#CCN1CCN(C(=O)CN(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 748810594 WDEYQWRRFVEEFH-UHFFFAOYSA-N 413.522 0.171 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCn1cc(S(N)(=O)=O)cn1 749327329 LVJGTMZVTSGFBG-UHFFFAOYSA-N 411.827 0.628 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 753882166 WJVYEZGFVZJMFS-AWEZNQCLSA-N 423.491 0.573 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cnc3nc(O)nc(O)c3c2)C1 757587685 KXFVNYVBSYRVHC-PWSUYJOCSA-N 400.395 0.925 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCCN(C)C)c2)cc1 762539979 YUQJMKQDVOIMNA-UHFFFAOYSA-N 412.450 0.150 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N=C3C[C@@H](C)ON3)CC2)cc1 763261091 OYLUHBQKXGZPKC-OAHLLOKOSA-N 422.507 0.847 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccn(C)c2)c1=O 763447494 WIPXEYPAISLKTF-UHFFFAOYSA-N 416.503 0.229 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC2CC(O)C2)cc1 764685119 MUVJPYLGCBHOTD-OQKWZONESA-N 422.507 0.715 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nccn2c(Br)cnc12 769817875 URYFZBARCZWDSW-KAMYIIQDSA-N 405.212 0.748 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 771467954 RIAVUNYXEHTHDL-OCCSQVGLSA-N 403.464 0.525 30 20 HCED O=C(C#Cc1ccccc1)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 773464923 KYQZFHHSDHMAHO-QZTJIDSGSA-N 405.472 0.776 30 20 HCED CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)C2=O 780204947 KXYOYUCGKLIPDV-DBCMNUGHSA-N 414.418 0.667 30 20 HCED CC(C)(C)OC(=O)CNC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1 784053326 MXLGCMIFCFXXAJ-UHFFFAOYSA-N 406.483 0.614 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)C2)cc1 789787332 WZPTWMYZEMNCNY-IXPAQYDLSA-N 408.480 0.421 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)n1 789789169 QRTGSWDEQKYEAZ-UHFFFAOYSA-N 407.434 0.711 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1Br 790839462 PDBLAMCTBOOUGS-SECBINFHSA-N 421.294 0.950 30 20 HCED CCOC(=O)C1=C(COC(=O)[C@H](C)n2cnc(C#N)n2)NC(=O)N[C@@H]1c1ccco1 798748593 YRPMRQWJTPKNEE-ZUZCIYMTSA-N 414.378 0.718 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)c1 800597426 WMXDXAITPMUQQH-UHFFFAOYSA-N 407.430 0.904 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800902069 UAIPRHKPWIJVCO-CYBMUJFWSA-N 403.505 0.134 30 20 HCED COC(=O)c1cccc(COC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)c1C#N 803860686 DUZGDBHUONRZGF-UHFFFAOYSA-N 405.388 0.257 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 807335175 DSTUTKZSXLUVCD-IBGZPJMESA-N 409.490 0.905 30 20 HCED COc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)n1 810989380 JNEHNHJOYBBLFF-UHFFFAOYSA-N 404.448 0.844 30 20 HCED CN(CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)OCc1ccccc1 815947387 ZQOHUXGVSISFTM-OAHLLOKOSA-N 407.448 0.221 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 816130310 HOWBBXRUUHKMLI-KOLCDFICSA-N 420.325 0.728 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCSC 839370978 SAJYVQPNHOPKKJ-UHFFFAOYSA-N 405.549 0.426 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916867841 IHPBCXVKGSWYSO-KRWDZBQOSA-N 423.491 0.573 30 20 HCED CN1CC[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1=O 917013766 PVLGLGFCRSQDPA-RHSMWYFYSA-N 413.434 0.821 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919649199 ZNCRIXHAIBMIQB-GXTWGEPZSA-N 420.443 0.305 30 20 HCED CCCC[C@@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 920758000 BOMCMKFWVFBFMQ-KRWDZBQOSA-N 419.507 0.933 30 20 HCED N#CCSCC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1065708695 HTVWFWLOVPYWEL-PITCONLNSA-N 404.536 0.412 30 20 HCED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)CC2(C#N)CC2)CC1 1117068263 BXEJHMRBVIXRQQ-UHFFFAOYSA-N 401.485 0.074 30 20 HCED N#Cc1c[nH]nc1NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1162739168 RYLGDDNYNUDZAR-UHFFFAOYSA-N 416.463 0.533 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(=O)N(C)CC1 1166327843 KLEKKSIWMBLPRV-OAHLLOKOSA-N 406.508 0.831 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN(C)C(C)C 1288159507 FLAIQOHCXONTIN-KRWDZBQOSA-N 402.547 0.933 30 20 HCED COC(=O)[C@H]1CN(C)CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1312625786 KJQNBTNSIKFLKN-ROUUACIJSA-N 413.478 0.405 30 20 HCED CN1CC[C@@](O)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1314929175 VWKPPMPLHUCZMH-NQIIRXRSSA-N 412.494 0.695 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCOC[C@H]3CCOC3)C2=O)cc1 1318584688 HZBAEFRTCQRBBV-DOTOQJQBSA-N 400.435 0.933 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1327896242 OSSQIDHXWKGEIC-UHFFFAOYSA-N 414.509 0.032 30 20 HCED COC(=O)c1coc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1469761096 UXZXFTCPPSWANF-JTQLQIEISA-N 406.420 0.595 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1504530159 GIUXNXBDJJSZEA-UHFFFAOYSA-N 420.477 0.894 30 20 HCED CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1517040607 YNNRUECVFTWRGS-ARFHVFGLSA-N 408.528 0.249 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)C(=O)C1 1539804595 YUIKLKBKRSWXIS-CYBMUJFWSA-N 417.919 0.228 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1618423567 RJVPPVAMYQQEPA-IAGOWNOFSA-N 415.475 0.570 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(O)(c4nn[nH]n4)CC3)CC2=O)cc1Cl 1633895722 PAZONWVZDKXNNF-LBPRGKRZSA-N 415.841 0.588 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)Cc1cnc[nH]1 1636179568 TYTOSRGYGLCOJH-GOEBONIOSA-N 419.507 0.727 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1661123317 LMSUPWRKFYIOMA-NSHDSACASA-N 416.253 0.373 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)CC1 1663099405 UFYRYAVGDZOMFX-UHFFFAOYSA-N 413.525 0.761 30 20 HCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1693552197 RPFUXEGDIUACOX-CQSZACIVSA-N 421.465 0.572 30 20 HCED C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1726751854 JABJQIPVNRTWIW-QAPCUYQASA-N 409.494 0.849 30 20 HCED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1766920326 VWGYESHCMLYGBR-UHFFFAOYSA-N 414.495 0.864 30 20 HCED CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1768231727 NIDXNLOFIYOYSK-IBGZPJMESA-N 419.507 0.839 30 20 HCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCC2)C1 1770349127 NBJQLQQUJYWPKW-OAHLLOKOSA-N 424.527 0.266 30 20 HCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC2CC2)C3)CC1 1778846284 JWFVEEDCEPESIL-DENIHFKCSA-N 402.539 0.161 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1778973144 ZPFIUAGNRGQBGW-LAUBAEHRSA-N 403.479 0.402 30 20 HCED C[C@]1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCCN1 1779066780 GQCLZTQSXMRCGB-IRLDBZIGSA-N 403.523 0.657 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1779627892 NNGOTORYSXMPHT-ZHRRBRCNSA-N 423.473 0.954 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1781401269 XOMKNNDQFFVANG-QRWLVFNGSA-N 414.466 0.974 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cn[nH]c5)CCO4)C3)c2c1 1782195529 DQBNQFURASPABV-HXUWFJFHSA-N 405.418 0.915 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5cc(O)n[nH]5)CCO4)C3)c2c1 1782196023 PJTBPYMSXPNVFG-FQEVSTJZSA-N 421.417 0.621 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1ccnn1 1782762303 LPAXBYHHXOVZIB-ZRPVVASCSA-N 403.487 0.141 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc(F)cc1)CCO2 1783046421 NVXZOEJTXQFJIX-AVRDEDQJSA-N 413.449 0.893 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CC(=O)C2)C1 1783152490 YIJFNRDLBLEHME-DYESRHJHSA-N 404.511 0.761 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783173587 FGHULBDOHWGVOG-UGBNQVSOSA-N 419.503 0.842 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784339483 GXIVLFFOPHAEMV-YMQCEMJTSA-N 420.470 0.027 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCC)NC(C)=O)C[C@@H]21 1784510584 RHFNTPPDXXTPDN-RFZNHBKKSA-N 409.527 0.862 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1784705159 YCDNGHZNIOEVLJ-HXUWFJFHSA-N 404.394 0.295 30 20 HCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787496046 QHBYWHFWMQDREW-HYFYGGESSA-N 407.496 0.072 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1 1788495261 SDORAMRMJJUVOR-UXCPKMTHSA-N 419.522 0.374 30 20 HCED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cc1O 1788601342 YFDDDDGAHANANE-RJKWBWEDSA-N 418.498 0.191 30 20 HCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21)c1ccc(O)cc1 1789889524 ZYYSNQUFLXXYFA-KCMWZYNZSA-N 400.431 0.563 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)N(C)C)C[C@@H]21 1790875228 PYXYQXPLFFNYRY-IHRRRGAJSA-N 402.442 0.449 30 20 HCED NC(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)c3cccs3)C[C@@H]21 1792282281 LKSSNWCKVDIZMO-NYBAQFBVSA-N 420.491 0.135 30 20 HCED 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HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@@H]1c1cccnc1 1802479713 CKMHQXSHVHBMCL-IUVBQFQESA-N 409.490 0.474 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2cnn3ncccc23)[C@@H]1c1cccnc1 1808176803 WURTWOJWTNMILT-QRWLVFNGSA-N 418.413 0.532 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C(=O)N(C)C)[C@H]1c1cccnc1 1808845629 MFDPDVZXSFITJI-PVAVHDDUSA-N 403.483 0.977 30 20 HCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@H]1c1cccnc1 1810102277 YGZNIQGNXBXVLL-QILLFSRXSA-N 403.439 0.456 30 20 HCED N#CCc1ccc(C(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@@H]2c2cccnc2)cc1 1811354150 ASMPYZLMKXEZQX-AZUAARDMSA-N 419.489 0.950 30 20 HCED N=C(N)SCCC(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812876716 VLWOUQNTDNWHPJ-GUYCJALGSA-N 403.464 0.192 30 20 HCED C[C@H](C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)N1C[C@H]2C[C@H]2C1 1812880895 NHAUOTAJUVMZEC-JYTGUGRZSA-N 410.474 0.516 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814557419 FXHJOERRAYAVDE-ZIAGYGMSSA-N 408.524 0.978 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1CCc2nc(NC(=O)Cn3ccnn3)sc2C1 1815777848 HKTLTLWQIHVVIK-AYPRBGQRSA-N 416.511 0.819 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@@H]2CNC(=O)O2)CC1 1823745924 QFCGLKXYPGAXLV-YHLLGKTKSA-N 418.494 0.573 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1nc3ccccn3n1)CC2 1825665447 MQQGVSBDIHLFKS-JTQLQIEISA-N 410.415 0.500 30 20 HCED COC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829940520 NHIZRKHAJFEDQX-XACCNFBGSA-N 407.467 0.580 30 20 HCED COC(=O)C12CC(C(=O)N3CCOC[C@]4(CN(C(=O)C(C)(C)C#N)CCO4)C3)(C1)C2 1830064804 RXLRBMDSFVVGCA-CBNMVNINSA-N 419.478 0.336 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1831387200 ZWTYAVHJJFCBMH-VBKZILBWSA-N 423.416 0.468 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C=O)s3)C2)C1 1831393347 JTAZYBLGXNGVJP-QRWLVFNGSA-N 420.487 0.669 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1831413770 HMTPWUVWGQHXRL-RXVVDRJESA-N 410.511 0.852 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1831421544 KMVJPVMYHOLFKY-YWZLYKJASA-N 406.435 0.301 30 20 HCED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](S)C(C)C)CCO3)C2)CC1 1831483203 MJUQMIGBKRBIBP-KXBFYZLASA-N 400.541 0.824 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H](C)n2cnnn2)CC1 1832286317 BLGPVXLLZMBXGL-NUJGCVRESA-N 402.499 0.892 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ncccn4)CCO3)C2)c1 1833168131 RTOSHXUWQILMSB-JOCHJYFZSA-N 421.457 0.661 30 20 HCED CC(=O)Nc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)n1 1833330751 SVDMNPNVASHHGQ-LJQANCHMSA-N 401.423 0.024 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(=O)C=C)CC2)CC1 1833478423 WOFMEQPFYPMEAQ-SJORKVTESA-N 420.554 0.840 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834596841 NGDNOZQFMIREPG-YWZLYKJASA-N 421.450 0.511 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ccccc5n4)C3)C2)CC1 1835342205 UFHVIKPUZCTRNS-NRFANRHFSA-N 409.446 0.708 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1835362560 NHAJEHBBCMXRGR-QFIPXVFZSA-N 413.474 0.924 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1835675298 MMVJILRUKUEEPV-LJQANCHMSA-N 405.455 0.026 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(C)cn1)CCO2 1836195315 KAQBAFRQNGZYKD-LJQANCHMSA-N 408.524 0.567 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1836874858 VGEGWSLEAXJSNH-UGSOOPFHSA-N 405.480 0.118 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cn5cccnc5n4)CCO3)C2)CC1 1836886549 ZPAQYDXNOBTOOF-FQEVSTJZSA-N 410.434 0.103 30 20 HCED N#CCC(=O)N1CCC(OC2CCN(C(=O)CNC(=O)C(F)(F)F)CC2)CC1 1837637635 AWDSVYYSWNAXHP-UHFFFAOYSA-N 404.389 0.577 30 20 HCED N#Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C(F)F)C3)C2)ccc1F 1839186228 HURQHSMEPMVPNT-LJQANCHMSA-N 411.380 0.961 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1)C(F)(F)F 1839716149 RGZFXKXAUXZLDO-KRWDZBQOSA-N 416.400 0.766 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)cc3C)C2)C1 1839811100 GPCWZYMZHICJLA-OAQYLSRUSA-N 400.431 0.485 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1840174712 UBIOBBDHCCAKFU-HXUWFJFHSA-N 411.499 0.932 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnc4)C3)C2)CCC1 1840813165 IWZXPQMJUKSRSN-NRFANRHFSA-N 414.462 0.611 30 20 HCED C[C@@H](Cn1cccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813330 SOTKMYHDNUVKOV-UWJYYQICSA-N 415.494 0.669 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)nc3)C2)C1 1840840227 GNRXBWWMIGCZMZ-JOCHJYFZSA-N 415.490 0.893 30 20 HCED NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1842943660 ZXJWAMPNKODBCR-MRXNPFEDSA-N 402.882 0.488 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2=NNC(=O)C2)C1 1844222520 AYTPMCLCIJFAFT-ZDUSSCGKSA-N 419.482 0.535 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845773824 YZLBVJRGTUSWDA-UHFFFAOYSA-N 423.429 0.715 30 20 HCED CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847073907 XZJORHFGJTWROZ-CQSZACIVSA-N 407.467 0.971 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1ccccn1 1847811224 JSIOYJQOULUVEV-MVJTYMMSSA-N 400.479 0.993 30 20 HCED CN(CCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)S(C)(=O)=O 46981873 NYIMKSBHENOEMH-UHFFFAOYSA-N 410.500 0.537 30 20 HCED CN1CCN(C(=O)Cn2cc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cn2)CC1 409652344 NUDVMCCJLJVCCA-UHFFFAOYSA-N 418.461 0.967 30 20 HCED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435519741 ODIRNNHZMHKWCB-UHFFFAOYSA-N 401.467 0.564 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1C 439494426 QKBALBGNBIFATP-UHFFFAOYSA-N 403.446 1.436 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 440034401 IZDJRURHIFWANW-UHFFFAOYSA-N 420.413 0.914 30 20 HCED COc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1[C@]1(C)NC(=O)NC1=O 443418241 RZKLDGAHNCIDSZ-INIZCTEOSA-N 404.408 0.156 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 444315819 LHUJMJAFQUVBSK-XJKSGUPXSA-N 413.521 0.651 30 20 HCED COc1cc(C(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)ccc1C 444505271 JPOJCEOCNIJQFL-UHFFFAOYSA-N 424.461 1.037 30 20 HCED C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(C)(C)O 444551001 PULOAAUXJJOGIX-LSDHHAIUSA-N 408.524 0.529 30 20 HCED CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)cc2)CC1 444594368 UCNZYSOTGMYDMW-UHFFFAOYSA-N 423.521 1.189 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)n1 444600712 ZSNCHWQQUAPURL-KRWDZBQOSA-N 414.441 1.064 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 460575128 LSJNJUBNINXYDU-HOTGVXAUSA-N 423.477 1.149 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 460773287 UFCHXHJOPKXOEV-RWMBFGLXSA-N 407.562 0.722 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 462095894 BHTMOSUZIRMNOA-OAHLLOKOSA-N 417.495 1.383 30 20 HCED Cc1ccc(C(=O)NCc2cccc(OCC(N)=O)c2)cc1S(=O)(=O)NCC#N 464139790 GGAZSINYJCCRNA-UHFFFAOYSA-N 416.459 0.591 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(-n4ccnn4)c3)CC2)c1C#N 472870517 PJVIBAMJTIHTPF-UHFFFAOYSA-N 419.449 0.468 30 20 HCED C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 474503408 ZETPHWQGPAMEFH-AWEZNQCLSA-N 404.434 0.463 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 478135676 FVSUAYQZMHIZSD-UHFFFAOYSA-N 424.523 0.604 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)C2=O)cc1 489078601 LDHGCIJIXSKDQW-GOSISDBHSA-N 423.473 0.347 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CC(C)C 497577035 YCSCGIOXNFCSDI-UHFFFAOYSA-N 406.533 0.678 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)c1 501334327 HXIHBVAZXGINLC-OAHLLOKOSA-N 409.464 0.045 30 20 HCED CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503733764 FAHZUNJFHPAETI-TVFCKZIOSA-N 410.474 0.705 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)[S@@]1=O 507755516 QBARYKDYCRPYEQ-YFBHESTHSA-N 400.464 0.835 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)CC1 513116488 GKAXRHNXBQZUEN-QXAKKESOSA-N 420.510 0.653 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1 514030510 HJFBOZMRAQLKPP-TYILLQQXSA-N 417.491 0.323 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N(CCCO)Cc2ccccn2)n1 516940629 GQUODNWRFWAJGF-UHFFFAOYSA-N 405.418 0.884 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCn1cc(S(N)(=O)=O)cn1 517563940 QUHOOZYJYFVYDY-UHFFFAOYSA-N 404.496 0.383 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 542076329 RSCNYYIHXHHBCD-CQSZACIVSA-N 414.397 0.185 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)C1=O 542245499 JXDSDCJZDQASRY-AWEZNQCLSA-N 404.810 0.316 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 544212990 XLOLEHMLYJNULB-PBHICJAKSA-N 418.450 0.274 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 548824501 SNYVFSBWHLFFFU-UHFFFAOYSA-N 410.434 1.014 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC23CC3)CC1 549455561 FJGCIWVRDHRZGG-UHFFFAOYSA-N 404.492 0.256 30 20 HCED CN(C)Cc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 550120765 PULCBGMFEJGULJ-UHFFFAOYSA-N 406.490 0.980 30 20 HCED CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NCc2cccc(C#N)c2)cc1 550979588 ORCLNQGNFJAYAD-UHFFFAOYSA-N 401.444 0.773 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 551149921 NVKYKQLILCVQBE-UHFFFAOYSA-N 423.473 0.943 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)n1 553969566 LISBEXJSFGJCJD-UHFFFAOYSA-N 415.405 0.942 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)CC1 559658746 SQOUYNXISRWCDE-UHFFFAOYSA-N 406.508 0.837 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 562032327 DEYVMJQKVKYTMG-ZDUSSCGKSA-N 424.552 0.974 30 20 HCED O=C(NCC#CCO)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 572165900 TUNNTMRHOMGTHC-UHFFFAOYSA-N 421.519 0.423 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)C1=O 573404311 OKTOCRFYYRHOTJ-GDBMZVCRSA-N 401.419 0.199 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 573765462 DGOZJVDPGCFZEI-AWEZNQCLSA-N 412.427 0.639 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccnc2N2CCOCC2)c1 584201533 YGEMONRLTHFGHN-UHFFFAOYSA-N 415.475 0.385 30 20 HCED CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 588766209 IWXHVZYBFGBSPE-IBGZPJMESA-N 404.474 0.905 30 20 HCED CCS(=O)(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 589482210 INRYJWONMRTQGJ-UHFFFAOYSA-N 421.500 0.947 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C1CC1 591000415 OEWPWWJNLIEEEK-UHFFFAOYSA-N 403.847 0.876 30 20 HCED Cc1ccc(C(=O)NCc2nnnn2-c2ccccc2)cc1S(=O)(=O)NCC#N 609413147 QQDYWXHTEBUNMP-UHFFFAOYSA-N 411.447 0.703 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)c2ccccc2)cc1 728092190 TYBAATFNSIOEBI-UHFFFAOYSA-N 414.439 0.754 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 728589370 CGTTVLSFOAJJKN-UHFFFAOYSA-N 400.844 0.304 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)c1 731126107 BBGLELITRYQTIZ-MRXNPFEDSA-N 400.479 0.696 30 20 HCED Cc1ccc(CN2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732909144 ZMWYGBLPAAGDNS-DLBZAZTESA-N 417.487 0.309 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 735940883 TXZQKRALNXWXAW-UHFFFAOYSA-N 404.467 0.407 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 737508624 XZPBRFXGZGYIGA-UHFFFAOYSA-N 405.414 0.556 30 20 HCED COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)c1ccc(C#N)cc1 745149955 UDQWQVOEINZNBI-HNNXBMFYSA-N 424.456 0.961 30 20 HCED CC(=O)N(C)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747473478 GINHSZQKCZZDQY-UHFFFAOYSA-N 406.508 0.975 30 20 HCED C=CCN1C(=O)C(=O)N(CC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)C1=O 749197321 BIIBFCQVMFJOBT-CYBMUJFWSA-N 402.363 0.428 30 20 HCED CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 751089650 IJGHMBJJLMVLMQ-UHFFFAOYSA-N 405.929 0.999 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 751205469 IOIVLSNYPBWFSH-UHFFFAOYSA-N 406.468 0.750 30 20 HCED COCCN(C(=O)CON=C(N)c1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 754277618 MAAWFNICMIZHGU-CQSZACIVSA-N 401.460 0.433 30 20 HCED C#CCN1CCC(C(=O)N(C)CCCN(C)C(=O)C2CCN(CC#C)CC2)CC1 756027921 KISYCAGPODWSQO-UHFFFAOYSA-N 400.567 0.984 30 20 HCED CC[C@@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 756194170 FAXYBVHEAAPIKL-KTNMXJNISA-N 424.523 0.963 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 757906872 HELWZCHUZYFEQN-UHFFFAOYSA-N 422.507 0.939 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)ccc2C)c1=O 758079460 JVUKHXRDAKZUQB-UHFFFAOYSA-N 409.511 0.816 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758085570 YQXHCFQUDYRNJE-UHFFFAOYSA-N 408.483 0.531 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758756619 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C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)c1 783453825 TWQOAZFVSAWKBE-UHFFFAOYSA-N 403.402 0.679 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(-c2nccn2C)c1)[C@@H]1CCS(=O)(=O)C1 783479986 NXWSPMAWBOIBHM-MRXNPFEDSA-N 400.460 0.675 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cncn2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 783481906 RIBCYCGZIACMOC-ZDUSSCGKSA-N 421.866 0.508 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787780419 XXGKAZRPZKRFGP-CQSZACIVSA-N 402.455 0.607 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C)c(Br)n1)[C@@H]1CCS(=O)(=O)C1 793043334 TYHBLPQLLZEPRY-LLVKDONJSA-N 414.281 0.740 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801283873 UDRVDBVFESMPTF-HNNXBMFYSA-N 424.486 0.841 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)n1 806177931 MVDNZQWZVZTRCQ-IAGOWNOFSA-N 417.510 0.255 30 20 HCED CO[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 807407322 AEJNOEQKSIRTFF-SFKFPXOQSA-N 410.496 0.931 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 807463378 AXVFLVBEBVKRCE-UONOGXRCSA-N 423.495 0.303 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCO1 809311763 ZJYGZCROWWZWLB-GOEBONIOSA-N 423.429 0.752 30 20 HCED C[C@@H](CONC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 810817540 FAHSSIBNRWYHLW-LBPRGKRZSA-N 412.468 0.798 30 20 HCED COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(CC(F)F)c3)c2=O)cn1 814250281 LUDRRSVLTMCZBM-UHFFFAOYSA-N 414.397 0.791 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cc(CO)ccc3O)nc2)CC1 814745906 KCIICMPDUZYNHP-UHFFFAOYSA-N 405.480 0.662 30 20 HCED COc1ccc(Cl)cc1C#CCOC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 815172147 JSPNEAYVKJRAEV-UHFFFAOYSA-N 416.821 0.691 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(NS(C)(=O)=O)CC2)ccc1F 914469419 RMNRIVRELWXCOP-UHFFFAOYSA-N 419.500 0.444 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 916929956 FFPOGFAKHONAAC-GFCCVEGCSA-N 407.386 0.602 30 20 HCED N#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)[nH]1 990914446 KMFMLJDHMKAOHO-CFDVNRPPSA-N 407.434 0.083 30 20 HCED CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1288269504 ODUCUXLOKOFBLB-UHFFFAOYSA-N 417.495 0.081 30 20 HCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC(=O)N1C 1291223707 LUJSIVPIHLPUJR-BTYIYWSLSA-N 409.494 0.550 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1303642211 VLHGCEWFAMWNDI-CABCVRRESA-N 411.528 0.850 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1318381500 DCWOXVYMHKLQKK-UHFFFAOYSA-N 406.508 0.142 30 20 HCED COc1c(S(=O)(=O)NC(=O)CCc2c(C)nn(CCC#N)c2C)c(C)nn1C 1343072949 ZOJQCNJAWKFHKB-UHFFFAOYSA-N 408.484 0.902 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN[C@]1(C(N)=O)CCOC1)CCCC2 1460312336 XXARNWOZCXNBRU-LHSJRXKWSA-N 415.494 0.590 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2cccn2)CCO1 1505321832 XXEQUJCRBPOCHS-HNNXBMFYSA-N 407.438 0.941 30 20 HCED CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)[C@@H](C)C1 1508236143 JLVIWLORSKSBKU-ZDUSSCGKSA-N 406.454 0.446 30 20 HCED Cc1nsc(N2CCN(C(=O)C3(O)CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1556842688 OMCWRLGZQJICJG-UHFFFAOYSA-N 407.496 0.954 30 20 HCED N#Cc1cn(CCC(=O)NCc2nnc3n2CC[C@@H](C(F)(F)F)C3)c(=O)nc1O 1558352525 LEKOTMTXENMINI-SNVBAGLBSA-N 411.344 0.243 30 20 HCED CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696479923 WVNOYTOKMSTWPA-OAHLLOKOSA-N 416.511 0.346 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1723623388 ZUKBWQWGXRNODR-MRXNPFEDSA-N 419.530 0.380 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN(CCO)CCO)CCO2)C1 1779243610 ZRWQIIYCVASUPN-OAQYLSRUSA-N 411.543 0.095 30 20 HCED CNC(=S)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)S)C2 1779381781 FAWYWYAHLCTDQS-OGHNNQOOSA-N 402.586 0.303 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc(Cl)n3)C2)C1 1779499807 ZWYYBYMREUOLQW-LLHWWHOWSA-N 419.869 0.432 30 20 HCED 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HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CCO2 1783916148 ZSNIPCICEPVGAQ-OAQYLSRUSA-N 422.445 0.590 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccc(Cl)cc3)[C@H]2C1 1783917635 WSUUFSOSMDSKKL-SZMVWBNQSA-N 417.893 0.759 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)CCSC)C2)C1 1783963519 NFAZHXFOXKLXAR-VQIMIIECSA-N 400.541 0.913 30 20 HCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4ccc5c(n4)OCCO5)CCO3)C2)CCC1 1785364694 CIDUFFXYNKBPNJ-OAQYLSRUSA-N 412.446 0.990 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)cn3)[C@H]2C1 1786275127 OQBJGLLFFOGPLJ-IKICRFKJSA-N 403.479 0.954 30 20 HCED Cc1cc(NC(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCC#N)[C@H]3C2)no1 1786702352 SZGIXVVDLDLWEV-KKUMJFAQSA-N 403.439 0.595 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)[C@@H](C)CC)[C@H]2C1 1786820372 HEIVCCZOOMDECM-QCGYCXEESA-N 409.527 0.849 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)NC(=O)CO4)[C@H]2C1 1788364167 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C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ncn(-c2cccc(F)c2)n1 1794289268 ZWOSTIHWHZJPEY-NFFDBFGFSA-N 419.482 0.928 30 20 HCED CCS(=O)(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274479 FNAYVVXHOMTBEZ-XEMDLRDOSA-N 404.488 0.062 30 20 HCED C[C@H](Sc1cccs1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1797602322 FKUVKHBWLQEMMU-JRATXPSKSA-N 408.501 0.906 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1=NNC(=O)C1)C2 1797729713 COASUORROSTRJB-CCWDJLKJSA-N 418.570 0.503 30 20 HCED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)nn1 1798370202 CRHXSBLTMQIGAN-CLTKJPJQSA-N 413.434 0.401 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccnnc1O 1798384239 QQWFCNRPMQTRLJ-JLVBRIDZSA-N 414.462 0.084 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1800737186 KXXHMTOPMVPBGL-PHRATCPHSA-N 415.515 0.804 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801515309 RWEAQVZIQWKJRP-QKPAOTATSA-N 410.540 0.484 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2 1801955827 ZQXFIKUZNWAJBL-HGKCTWBKSA-N 405.495 0.904 30 20 HCED CCC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1803437358 SVCXJPLNJBDJRJ-MUKKUYKPSA-N 400.435 0.090 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1803501716 CMJZMTLAHYBOSQ-FRFSOERESA-N 407.496 0.329 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccc(O)nn2)[C@H]1c1cccnc1 1805265575 MKIUPSBPFUBPIO-IDHHARJASA-N 409.446 0.935 30 20 HCED C=CCSCC(=O)N1CC[C@H](CNC(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1807188954 ZVURBUSYXUFZTA-GJYPPUQNSA-N 419.551 0.599 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)COCCO)[C@@H]1c1cccnc1 1808599412 BVTWBRAJKRGKJX-MJGOQNOKSA-N 417.510 0.378 30 20 HCED CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1812620062 ALEGYXVXITXSIT-QDUSALGBSA-N 411.462 0.936 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CS(C)(=O)=O)sc2C1 1814316139 NOCNOAYLYWRHML-QWRGUYRKSA-N 401.510 0.691 30 20 HCED NC[C@@H](C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)c1ccccc1 1815166649 PTGNIGZNWSWNAO-UONOGXRCSA-N 412.471 0.886 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3cc(=O)n4[nH]cnc4n3)n[nH]2)CC1 1817466970 ZNKIXIRYPAQKQJ-ZDUSSCGKSA-N 421.421 0.750 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825670463 CVCQHYGXEVEVRK-ZJUUUORDSA-N 409.420 0.705 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830057515 GIJFAYTVZUXGFY-QRWLVFNGSA-N 408.499 0.297 30 20 HCED COc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1F 1831215938 UTXPAEQRMMLSDN-OAQYLSRUSA-N 417.437 0.713 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831222986 MQEVRWXOHHYYHM-RXVVDRJESA-N 405.495 0.161 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1831402215 QVCXYGAWGQGCHH-NLJKLAEJSA-N 406.479 0.049 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1831421876 UTHNLMQSDCBFTR-OXQOHEQNSA-N 404.467 0.446 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1831432616 CACXHLIGAGHEPR-JXFKEZNVSA-N 424.494 0.377 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831487513 OHEYJECBCLPJJT-BBRMVZONSA-N 404.558 0.024 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1831867110 DZLJNHVJVIWZTD-LJQANCHMSA-N 408.524 0.718 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc([N+](=O)[O-])ccc1F)CCO2 1832428790 NDSPNUWJHIMNDG-LJQANCHMSA-N 420.397 0.646 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833223541 YKGMPUUZKSEKNC-HXUWFJFHSA-N 405.499 0.878 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4nc(C)c(C)[nH]c4=O)CCO3)C2)C1 1833384541 ZQWRCTXIEQUWPD-OAQYLSRUSA-N 416.478 0.423 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC=O)CC2)CC1 1833472441 YTZVPFSCVGIPJH-KRWDZBQOSA-N 408.543 0.675 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1833473160 FACVFYVJSRZWHG-HNNXBMFYSA-N 415.556 0.194 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833653814 ZWGXRVHUDUDRCL-HXUWFJFHSA-N 410.434 0.251 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834102704 IQVNQLUZGOMFIM-QCTAYAMBSA-N 421.454 0.009 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1834760646 GMQRQWPOFFXMCD-IBGZPJMESA-N 401.398 0.457 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344739 RTDLEYYWSYENIA-IERDGZPVSA-N 413.478 0.642 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cnncc3C(=O)O)CC2)CC1 1835921388 QHGJRUBTLGLERF-UHFFFAOYSA-N 413.478 0.773 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836044460 YKANIZXHNTZEKZ-DNVCBOLYSA-N 424.523 0.943 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)CC2)CC1 1836681780 RSAWZRMWFNBUEF-QGZVFWFLSA-N 423.510 0.504 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5cccnc5[nH]4)CCO3)C2)CC1 1837006076 WOAKUCGZGMTTBS-NRFANRHFSA-N 409.446 0.937 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCC5)CCO3)C2)c1 1837094467 SUOPVDRBCWHVMS-NRFANRHFSA-N 424.461 0.413 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1837393302 OSRUQKMXBOZOON-XGHQBKJUSA-N 420.510 0.474 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)ccn1)CCO2 1837958247 MFVSWASNXLRRDJ-NRFANRHFSA-N 401.463 0.964 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cnccc3F)CC2)CC1 1838007010 LETIXQROBRLMCL-UHFFFAOYSA-N 403.410 0.921 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366862 YWDPVAJYRBODRG-RDTXWAMCSA-N 410.496 0.207 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1839842622 AWIAFLIGADOHOQ-FVJLSDCUSA-N 409.527 0.960 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839886872 MYDYCHZPGHTFDX-GOSISDBHSA-N 401.454 0.750 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839907068 ZCTZKRYGTCJEQT-HTAPYJJXSA-N 418.490 0.982 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1840161291 KIKPAZMQTYHMTE-VCBZYWHSSA-N 408.524 0.657 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840164055 WXHCOWKCEPJEGO-XIKOKIGWSA-N 423.470 0.257 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273070 LAELIZKVDGMAMU-RJPLPAITSA-N 408.495 0.032 30 20 HCED CN1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)C1 1840571710 IVPQJGOGLDBUIH-JOCHJYFZSA-N 412.490 0.384 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccccc1)CCO2 1840799441 YZQVBVUNARDWLP-NRFANRHFSA-N 414.462 0.177 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccccc1C(=O)OCCO)C2 1841601050 BGZJRDBZAJAYPJ-INIZCTEOSA-N 414.458 0.691 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1844384729 GYDGGJOOQMTSGB-LFAOLKIESA-N 419.503 0.842 30 20 HCED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(OC)c2)C1)C(=O)O 1844725886 UXLHOEVTTMISFK-MRXNPFEDSA-N 400.435 0.447 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 434827224 JAMBFXFVXAIJSV-AWEZNQCLSA-N 402.455 0.586 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)cc1C(F)(F)F 439394203 CCLCVPPSWJDAGN-UHFFFAOYSA-N 404.370 0.795 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 440379264 MDNWMVKRODFCPL-UHFFFAOYSA-N 420.454 0.362 30 20 HCED O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 441996402 HLONJWPHVQEXBB-SFHVURJKSA-N 416.437 0.194 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N(CCC#N)c3ccc4c(c3)OCCO4)c2n(C)c1=O 465124227 VXRLGFPAHYWRMP-UHFFFAOYSA-N 423.429 0.757 30 20 HCED C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 468442449 KBSZRRKZFWCBFW-UHFFFAOYSA-N 411.462 0.895 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 468752660 ABFMCXRUNYQEDC-LBPRGKRZSA-N 418.449 0.745 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CC1 471463890 CFDGXNKFCMZKIC-CRAIPNDOSA-N 408.462 0.971 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 472065253 WEOUUWQBWMBJEF-OAHLLOKOSA-N 422.507 0.275 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(C(N)=O)ccc3F)CC2)c1C#N 472884586 ROBGTIUTMCKBEV-UHFFFAOYSA-N 413.413 0.126 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)Cc3ccc(O)cc3)CC2)c1C#N 477740578 HHUFBDVDLOSNEF-AWEZNQCLSA-N 410.478 0.702 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(OCC(N)=O)c1 480448879 OQLJZYNTMBZFMR-LBPRGKRZSA-N 402.432 0.728 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 480793083 XCTLCFBMWHIQSO-ZDUSSCGKSA-N 416.525 0.013 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)Cc2ccccc21 483700827 NWICABGCBUSNFD-UHFFFAOYSA-N 416.463 0.544 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 502058894 TXNOTIRXFNQZOT-UHFFFAOYSA-N 409.446 0.577 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)nn1CCC#N 504423673 IZBOALKSOLPTDI-UHFFFAOYSA-N 410.434 0.734 30 20 HCED Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 507142335 LMIKVRDKUHZDPH-UHFFFAOYSA-N 409.494 0.701 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC(C)C)cc2)c(=O)n1CC(N)=O 532286955 WXKYPWGTZDMFLG-UHFFFAOYSA-N 424.526 0.399 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 533251616 UHKOIVDYXSPBLG-DAYGRLMNSA-N 421.523 0.056 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 537130926 HADLLXLJDTZANG-ZBFHGGJFSA-N 408.480 0.244 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 539271231 WHWJAMROLMNSCJ-CQSZACIVSA-N 409.508 0.983 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H](O)[C@H]3CCOC3)n2)c(Cl)c1 541145351 JCFZPGTVZYBNLG-WFASDCNBSA-N 403.826 0.849 30 20 HCED COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697898 YGBZKIQSHYQCJH-UHFFFAOYSA-N 408.396 0.836 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 548735736 UJBFIWWSXYLMMI-QGZVFWFLSA-N 413.452 0.763 30 20 HCED COc1cc(OC)cc(C(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)c1 550639859 QXMQQANDLIXSLF-UHFFFAOYSA-N 423.429 0.894 30 20 HCED C=CCOC[C@@H]1NC(=O)N(Cc2cccc(NC(=O)CCN3CCOCC3)c2)C1=O 552696202 ZLMKPCJJGNHVFS-SFHVURJKSA-N 416.478 0.970 30 20 HCED Cc1cc(Cn2nnc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2C)no1 560557722 XDGFRFOAHMEPMY-GFCCVEGCSA-N 407.438 0.944 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2)c(F)c1 560987683 ISGXPFXBSADDOK-IRXDYDNUSA-N 420.510 0.855 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 561729280 GRCRCWYDOZMHFV-GFCCVEGCSA-N 403.478 0.846 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 562090844 WOTRIPGWOPZIHA-HNNXBMFYSA-N 418.450 0.436 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(Oc3cnccn3)CC2)n1 562138929 QNSAVPIDQSPLGY-UHFFFAOYSA-N 418.417 0.937 30 20 HCED C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 572545595 XPBPNXSYLOLGMH-HZPDHXFCSA-N 412.560 0.893 30 20 HCED CCCCn1c(N)c(N(CC)CCS(=O)(=O)c2ccc(C#N)cn2)c(O)nc1=O 573837361 QXZFIXPXORCJKC-UHFFFAOYSA-N 420.495 0.898 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)C1=O 575909429 FHBVLXVJLJZCSQ-AWEZNQCLSA-N 410.448 0.667 30 20 HCED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 589069435 SKCGTHUGGSMEDI-GOEBONIOSA-N 417.897 0.891 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCO1 611653495 BEUNUWRPKYZTSQ-INIZCTEOSA-N 409.402 0.657 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 728530441 FHQWODLGELTLSR-UHFFFAOYSA-N 421.519 0.143 30 20 HCED Cc1cc(=O)n2nc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)sc2n1 729357958 ACLPZMCFFMMLLA-UHFFFAOYSA-N 419.444 0.353 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C3CC3)c2=O)cn1 732663051 KYQTUZPHRLWFEB-UHFFFAOYSA-N 401.517 0.057 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccccc2C(N)=O)cc1 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QTVVSDQQZZOSKK-ADHGMGHFSA-N 407.511 0.309 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(O)nn3)C[C@@H]21 1789955039 GABMIKVHFWMHGD-YXWQFLTLSA-N 405.455 0.576 30 20 HCED CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790867032 UJBHYNCCIIJYPD-DXKRUPHZSA-N 424.498 0.020 30 20 HCED Cc1cc(C(=O)NCC(=O)NC2(c3ccc(NC(=O)C#CC(=O)O)cc3)CCC2)no1 1791446841 HJBUNIVNDWNUHI-UHFFFAOYSA-N 424.413 0.935 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21 1792145716 SSFIZZRXQHLFQI-WIQMORTESA-N 413.474 0.688 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(CO)CC1)C2 1792484491 NLWHXRADGRHFNU-XVLKZGNSSA-N 419.522 0.233 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1793345610 RGDYCZVYYXITLZ-YYCWZVFASA-N 417.506 0.015 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O)C(F)(F)F 1793372431 XMANBGVCZUYXHC-FOUMNBMASA-N 412.430 0.375 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1ccc2sccc2c1=O 1794043896 AXHBCKJUDDNVGR-KOFHJDLBSA-N 421.544 0.971 30 20 HCED CN[C@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)cc(C#N)c1)C2)C(=O)O 1795645152 HDUYLIIKVGPTIU-SFNKJDCFSA-N 414.462 0.133 30 20 HCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)c1 1795690603 WCRIGKBFAIHMOX-CWPLJXCYSA-N 409.446 0.823 30 20 HCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CNC(=O)C(F)(F)F)C2 1796046895 ZEIGTPBKTIKTDF-CLLJXQQHSA-N 417.432 0.585 30 20 HCED COCCn1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](S)C(C)C)C3)n1 1796593537 UPWIEVARXIFDDV-FSDCSDTHSA-N 410.540 0.687 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797028572 UGOJLHVWRRFAAI-MPTYRVRUSA-N 414.466 0.733 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(C)c2c1CCC2 1797049157 VPYQZPIGDFIKIG-AFIMGQEJSA-N 417.510 0.913 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cccn1)C2 1797706838 RGQCHGLSSCGPSR-JCECYMMASA-N 404.511 0.682 30 20 HCED O=C(COc1ccc(O)nn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798433508 QPHHEUOWQHDOGF-UPKDPHJHSA-N 416.482 0.671 30 20 HCED CC[S@](=O)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798861968 ZYYHIQXZOGVPHL-ASSVGAMCSA-N 403.504 0.920 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)ccc1O 1799793689 QYGKZIAPJZTZFW-JGTCGTHISA-N 404.463 0.874 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCC2CC2)cc1 1801825902 YRYNOZQLXVZPCD-UPHUGPLXSA-N 412.442 0.767 30 20 HCED N#CCC(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H]1c1cccnc1 1806280487 LFMWTLFQPNULJD-OXJNMPFZSA-N 406.446 0.826 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)NC[C@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1811506683 QRKCUUPBTOVWCD-QGPMSJSTSA-N 417.466 0.844 30 20 HCED C#CC(=O)NC[C@H]1CCN(C(=O)CS(=O)(=O)N2CCCC2)[C@@H]1c1cccnc1 1812527897 XGUJTGHJIUGDFE-VQIMIIECSA-N 404.492 0.146 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cnnn3)sc2C1 1815685798 NTKZWGJBFBSUCE-WDEREUQCSA-N 406.472 0.543 30 20 HCED C=CC[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819890663 KJSCALLHHUHMEH-JCGVRSQUSA-N 408.524 0.918 30 20 HCED C[C@@H](C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)n1ccccc1=O 1822200966 RBQMISMXCXTLEJ-ZFWWWQNUSA-N 411.418 0.913 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1=NNC(=O)C1)CC2 1823086050 VQVXINPVIDZDGE-NXEZZACHSA-N 406.468 0.732 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3CNC(=O)C3)sc2C1 1825190852 DIUDBYNXMHDTHB-ABZJQCSKSA-N 417.491 0.050 30 20 HCED CCOc1ccsc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1829554530 NFSHRKDNLZZXHG-LJQANCHMSA-N 422.459 0.305 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829960214 QTVAYCMEWOPRMN-LAUBAEHRSA-N 405.495 0.163 30 20 HCED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830055951 IVQSJZXCGMLVNX-IIBYNOLFSA-N 415.494 0.888 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1830058251 RTSQVKWQXKDYIE-SFHVURJKSA-N 407.858 0.750 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830765810 SHQUWQRLKAJZGO-LVCYWYKZSA-N 409.527 0.518 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccnc3)CCO2)C1 1830980708 OAFXUURCEBRNDI-FIKGOQFSSA-N 420.510 0.474 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1831396351 KGMLFALFERCAIG-MGPUTAFESA-N 405.451 0.345 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)c(O)c3)C2)C1 1831398776 KTMOLJOHHVLGBX-HTAPYJJXSA-N 416.474 0.809 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1831425869 GGRPZUBOLLBHLY-IERDGZPVSA-N 420.510 0.644 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1831426516 HHHZFQFSEINDFH-MGPUTAFESA-N 423.466 0.482 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1831426644 MQSMESOXPLHRMB-FOIQADDNSA-N 407.467 0.898 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1832452725 GGEWUMQXCQSDDY-LJQANCHMSA-N 406.508 0.774 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833870000 YUQKUAKPIIWIIH-FXAWDEMLSA-N 423.535 0.410 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1C 1834121174 BCCKVWCUYMEMPP-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834585345 WWGZFKTXWVTLPH-LJQANCHMSA-N 420.554 0.819 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1834756336 UFUFMTOJCHHZJR-HXUWFJFHSA-N 410.434 0.251 30 20 HCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1834856756 VRKSKEBCXOGAEO-OAQYLSRUSA-N 415.446 0.581 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1835100238 IKRBBDHWBILRAX-QHCPKHFHSA-N 421.453 0.909 30 20 HCED N=C(N)SCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835509590 QVNDTUOEPKKLQU-HXUWFJFHSA-N 416.503 0.121 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1 1836027048 YGOHMZKCMLKGGT-QGZVFWFLSA-N 414.409 0.588 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1836860214 CLDVJNRLOSKXSO-AWEZNQCLSA-N 404.467 0.766 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3ccc(F)cc13)CCO2 1837038828 DLXWYCPJKVNEEH-IBGZPJMESA-N 401.398 0.686 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1837661407 JIDPHKLFZFVRJU-HXUWFJFHSA-N 405.499 0.878 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838311142 NRUUIWDAODFHBY-MEDUHNTESA-N 402.904 0.462 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3n1)CCO2 1838431536 RYQKTCBLEJBEJJ-OAQYLSRUSA-N 411.462 0.603 30 20 HCED CCOC(=O)C1(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)CC1 1838737598 AZVQPGJNWZVETH-UHFFFAOYSA-N 420.462 0.416 30 20 HCED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838951090 YAJQDDFCWYGQLQ-FQEVSTJZSA-N 410.434 0.369 30 20 HCED CCn1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)n1 1839224362 QTMCNBRAQLJRJS-UZLBHIALSA-N 421.498 0.774 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1839226386 NJNFEXVKOFUDLA-LVCYWYKZSA-N 424.542 0.586 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1 1839840138 XZXJHRIYADOXIF-HNAYVOBHSA-N 421.454 0.460 30 20 HCED Cc1cc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1F 1840045053 OFUWRPGTSVPUIX-HXUWFJFHSA-N 422.384 0.431 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840163320 GESMCYNUBXXSMG-YJYMSZOUSA-N 422.482 0.862 30 20 HCED Cn1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)cn1 1840465606 IIDASMBRJMEKFO-QFIPXVFZSA-N 423.473 0.604 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)CCC1 1840813436 ZQQSCNBEMNLQJQ-HXUWFJFHSA-N 401.467 0.493 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C2CC(O)C2)C1 1841304115 MIDSTTWMAQLNNC-UYSNPLJNSA-N 405.495 0.877 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3CCNC3=N)C2)c(C#N)c1 1842909795 PEKZCQKICDDYIX-UHFFFAOYSA-N 410.478 0.153 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1845254259 GGVLJRFAQTXJAR-CQSZACIVSA-N 414.466 0.949 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1847807808 OWRUXPUHJJTLBQ-HOTGVXAUSA-N 422.507 0.636 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)CC1 10207711 CVDOIAOZMMRYNA-UHFFFAOYSA-N 408.480 0.282 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1 22153993 UENFGWWMJULXGZ-JTQLQIEISA-N 415.449 0.276 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1=O 26640651 UDRIAPWNAGAXEV-UHFFFAOYSA-N 421.457 0.610 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 32268423 DVKMUSHDEPSACZ-KRWDZBQOSA-N 408.524 0.965 30 20 HCED C[C@@H](C#N)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 436725808 RUGMWSIQHVGJDP-AWEZNQCLSA-N 419.507 0.897 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1 437252403 FNURZNVLJUNXOZ-UHFFFAOYSA-N 419.482 0.086 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 439545562 DMXGIZNPKQFVRU-CQSZACIVSA-N 408.480 0.763 30 20 HCED N#C[C@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@@]12C(=O)Nc1ccccc12 463857278 QJYNYRKADPVSQH-HNAYVOBHSA-N 404.492 0.384 30 20 HCED CN1C(=O)CO[C@@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H]1c1cnn(C)c1 470971157 ZTMPICFBNLLXSR-ZWKOTPCHSA-N 420.433 0.469 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475927777 SDEUFTPVYXHAPF-DLBZAZTESA-N 404.492 0.447 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2n1CCCCC2 480428879 RRSAFOYYIKMWSO-ZDUSSCGKSA-N 402.480 0.859 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CS(C)(=O)=O 482153935 RPIUVGIDCITWIL-STQMWFEESA-N 401.510 0.507 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487162995 SQSSNVWCILVTEM-IAGOWNOFSA-N 419.507 0.382 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1=O 499801907 WGBXWQCCIDUDOX-MRXNPFEDSA-N 417.441 0.693 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1 502058941 ULYXWSGTXMPBSF-CQSZACIVSA-N 423.498 0.287 30 20 HCED Cc1nc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)sc1C 507499314 YLRHVXQZFSSPCL-UHFFFAOYSA-N 415.523 0.681 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 508460601 ZMRSJAKXKKHYIT-ZWKOTPCHSA-N 421.461 0.892 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H](CS(N)(=O)=O)C1 510644241 HRWRRALNGQFVEN-AWEZNQCLSA-N 402.480 0.683 30 20 HCED O=C1CN(S(=O)(=O)c2ccc(C(=O)NCC#Cc3cccc(F)c3)cc2)CCN1 513943300 ZYCXITRZPQFFKC-UHFFFAOYSA-N 415.446 0.728 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)n2)cc1 531159200 CCJMMXWBRVBUNT-QGZVFWFLSA-N 421.461 0.750 30 20 HCED N#CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 533912207 QAHUOOWJHWIYHC-UHFFFAOYSA-N 402.432 0.591 30 20 HCED COCCN(CC(=O)N(C)C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539363750 SLEHQSNZINVKHA-IBGZPJMESA-N 419.501 0.571 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCO)c2ccccc2Br)C1=O 541982945 CTEUUFUIOFKAMH-ZDUSSCGKSA-N 424.251 0.966 30 20 HCED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H]1C 542997676 DMHWLTOPDZFBCD-KBPBESRZSA-N 414.441 0.735 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cccc([C@@]4(C)NC(=O)NC4=O)c3)no2)C1=O 547069986 ZHDNSZMFOUIIRH-LJQANCHMSA-N 424.373 0.268 30 20 HCED COCCO[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 549678365 FCAIKPGCNJAPDT-HNNXBMFYSA-N 415.425 1.476 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(CN2CCCC2)cc1 550171903 JWQGZSZTWVXEBY-UHFFFAOYSA-N 423.521 1.167 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCc2nnnn2CC2CC2)ccc1Br 550650263 CPDNBKIUNNXFDW-UHFFFAOYSA-N 404.228 0.972 30 20 HCED COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 551192018 NDTNCPSPXLNKNK-UHFFFAOYSA-N 407.430 0.956 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)ccc1Br 559720059 XFBPDVRWOQENQW-LLVKDONJSA-N 416.253 0.189 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)C1=O 561759980 LNYOOWCLKJTJHB-QZTJIDSGSA-N 412.490 0.457 30 20 HCED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561785643 UKHYSFSCKMVJGO-LSDHHAIUSA-N 416.457 0.312 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 562211043 FOYRSHIHFCFQII-INIZCTEOSA-N 420.878 0.703 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)C1 562358603 PXGMRVRYNFJWRG-MRXNPFEDSA-N 407.496 0.595 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CN(Cc3ccccc3)CCCO2)c1=O 566647815 ORTMCAXAPGQYGR-LJQANCHMSA-N 412.490 0.835 30 20 HCED C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 577233143 GSMIRJLEADHJCX-INIZCTEOSA-N 418.498 0.213 30 20 HCED COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N(CC#N)CC(=O)OC 577564092 SEZIAUKFKHLLRK-UHFFFAOYSA-N 419.253 0.852 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](CC(N)=O)C3)C2=O)cc1 578573397 YEYSCXZBYMAICB-RDJZCZTQSA-N 411.462 0.284 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 590284936 GLCXNEFCHQJBEX-UHFFFAOYSA-N 406.446 0.529 30 20 HCED COCCN(CC(=O)N1CCC(C(=O)OC)CC1)S(=O)(=O)c1ccc(C#N)cc1 603935905 WEPJECSEUZUGTN-UHFFFAOYSA-N 423.491 0.607 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1ccon1 610079892 HBJWWYPQCAKACL-UHFFFAOYSA-N 403.464 0.511 30 20 HCED CS(=O)(=O)NC1(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCCCC1 611014015 PCHPUWDUGUPMIN-UHFFFAOYSA-N 416.481 0.997 30 20 HCED COc1ccc(NC(=O)CN2CCN(CCC#N)CC2)cc1S(=O)(=O)N(C)C 611173974 TVPGGJLNFYKSIJ-UHFFFAOYSA-N 409.512 0.415 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCO1 611653496 BEUNUWRPKYZTSQ-MRXNPFEDSA-N 409.402 0.657 30 20 HCED C=CCN(Cc1cccs1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 616847042 IRUJIBMEHFRCHZ-UHFFFAOYSA-N 413.459 0.847 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2ccncc2)CC1 726279964 MIDRWIOXIFXFRY-UHFFFAOYSA-N 413.503 0.855 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 732466158 LZPJMVPDGGQMIK-ZCXUNETKSA-N 413.434 0.386 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 735704448 BCDFQMITUNXWJR-GFCCVEGCSA-N 405.354 0.543 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)cc1 747147327 YAOQWYSGGMYRBO-NZSAHSFTSA-N 405.520 0.922 30 20 HCED Cn1cc(N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 749972174 IFUOXQAESVTUQS-UHFFFAOYSA-N 407.434 0.362 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 756752000 RZQHHZGGGXEAIN-CHWSQXEVSA-N 411.484 0.361 30 20 HCED CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(=O)(=O)c1cccnc1 757574327 DVXSAZJGCWBOCQ-UKRRQHHQSA-N 423.495 0.577 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccnc2I)CC1 758017389 RDDVSOPMEIOUAX-UHFFFAOYSA-N 412.231 0.193 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OC(F)(F)F)c1 771890152 DIIGOWFJQODJPQ-UHFFFAOYSA-N 420.369 0.685 30 20 HCED C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)[C@H]1CCCO1 773056791 ZLHXRSHEPMGVDS-DZGCQCFKSA-N 402.494 0.916 30 20 HCED COC(=O)CN(CC#N)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 778288418 ZQEJEIULKVMBPJ-FPLPWBNLSA-N 400.435 0.425 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC[C@@H]1O 778902279 KOWGPUYRDHLMNH-PJBPHQFTSA-N 422.507 0.667 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccccc1N1CCOC1=O 782905442 NKSFDKQOICHCHB-UHFFFAOYSA-N 415.450 0.656 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCC(=O)NC(C)C)CC2)o1 785845005 ZXNDXPJIUFDLEA-UHFFFAOYSA-N 405.455 0.741 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C(C)C)c2)c1=O 794644205 CVMMTLFQLHRTCN-MRXNPFEDSA-N 410.499 0.819 30 20 HCED CC1=C(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)Cn2nnnc2N1C 798158704 XFKYPZPKZONBDM-UHFFFAOYSA-N 421.421 0.865 30 20 HCED C[C@H](CC(=O)OCC1(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 799712101 XXGVPNZYACZJNV-LLVKDONJSA-N 400.478 0.624 30 20 HCED C=CCOC[C@@H]1NC(=O)N(c2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1=O 804201561 BQEYTBIACYVRKG-AWEZNQCLSA-N 415.406 0.194 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)c2ccc(C#N)o2)CC1 804951942 YXGLFGYSMRECGM-UHFFFAOYSA-N 412.468 0.947 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CC1 808324247 FOLHEGBJHIKXEK-QGZVFWFLSA-N 404.898 0.370 30 20 HCED C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1)[C@H]1CCCO1 811185738 SKZVSWQGCUTAFS-RHSMWYFYSA-N 424.479 0.990 30 20 HCED COC(=O)N1CCC([C@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 811194949 VZDGTYSWPGEQDP-ZDUSSCGKSA-N 408.480 0.820 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 814180333 GYEWPGSVTNLJOA-IKGGRYGDSA-N 424.542 0.751 30 20 HCED Cc1ccc(S(=O)(=O)NN=Cc2nccn2S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 814690731 XBLVEMCGYUUYPD-UHFFFAOYSA-N 416.441 0.067 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)cc1 816755540 CGIDEWWPFMSNNN-KRWDZBQOSA-N 423.491 0.786 30 20 HCED CNC(=O)NC(=O)[C@H](C)OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 822354266 ISKGDEQXVHKRTA-LBPRGKRZSA-N 424.479 0.673 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 900265275 JFKJSYSOTVPTER-LBPRGKRZSA-N 408.436 0.436 30 20 HCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1287786696 KSBGTWVAQJKEPG-KURKYZTESA-N 404.515 0.868 30 20 HCED COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1301437519 ISEDPXHBGJKZCQ-RCBQFDQVSA-N 418.495 0.118 30 20 HCED CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1301818823 ONTXRZCVGBLENB-SIKLNZKXSA-N 423.521 0.988 30 20 HCED Cn1c(=O)c2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cnc2n(C)c1=O 1318145801 LJPRMRPEFZOUKV-ZDUSSCGKSA-N 418.413 0.495 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1327172706 VAJCWUGYXYJMAT-UHFFFAOYSA-N 418.519 0.470 30 20 HCED COc1cc(CNCCN/C(O)=C2/N=CC=CC2=O)cc(Cl)c1OCC(N)=O 1328195336 OJMQTXVVSUDLCA-VLGSPTGOSA-N 408.842 0.829 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O 1360471876 QLVYSORJQWLOAS-LBPRGKRZSA-N 406.468 0.961 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 1460206177 JGFFSWIKAOLMQN-GUDVDZBRSA-N 415.469 0.124 30 20 HCED CCC(CC)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCOCC1 1467941896 JJGBQGKAIAOLQM-MRXNPFEDSA-N 406.487 0.257 30 20 HCED Cn1nnc2cc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 1475262196 VLGOGDFZGWPEFD-INIZCTEOSA-N 410.459 0.919 30 20 HCED COc1ccc(OC(F)F)c(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1478209728 XXUTXHHAJDXQMC-UHFFFAOYSA-N 409.349 0.930 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC)CC1 1507782229 XKXCCUSKBNEPAZ-NSHDSACASA-N 412.292 0.599 30 20 HCED C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1507784174 ISMZZUWABBGYMN-ZDUSSCGKSA-N 414.304 0.986 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CS(=O)(=O)c2ccccc21 1523029649 DZRAYRRADXTQNX-GFCCVEGCSA-N 419.484 0.412 30 20 HCED C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1611815084 PRPGIDAGEPMDCN-LBPRGKRZSA-N 400.414 0.234 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1631646060 YNTFOZROZCHQCP-CHWSQXEVSA-N 405.455 0.972 30 20 HCED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](c1ccc(C)cc1)n1cncn1 1631986593 MOHJMBUCDSCRHI-WMZOPIPTSA-N 407.434 0.905 30 20 HCED CN1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1638602761 RBFBISXOSPVBCM-MRXNPFEDSA-N 418.519 0.944 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](N4CCCC4=O)CC3)CC2)o1 1658993700 UEMYOIPGSVPJMH-QGZVFWFLSA-N 414.510 0.980 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1F 1666422278 VUYBUIUPGXKGSF-UHFFFAOYSA-N 403.443 0.853 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1729222739 SVICYYMNMXEFNE-UHFFFAOYSA-N 417.495 0.082 30 20 HCED CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747449076 GMQDTABYJWFBKD-OHZJNBGDSA-N 407.544 0.361 30 20 HCED Cn1c(=O)c(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)nc2ccccc21 1777888532 OBWHGZBGECEZIF-NRFANRHFSA-N 409.446 0.681 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]c2[N+](=O)[O-])C1 1778060252 JNXSORRXECOHAL-PJIJBLCYSA-N 419.438 0.484 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnc5[nH]ncc5c4)C3)C2)c1 1778414462 IFCPTWYRCPWYTQ-HXUWFJFHSA-N 405.418 0.915 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065195 VKUINRZCSLTEOU-JLMWRMLUSA-N 405.539 0.888 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779202583 VIVYTDYRLZGDFS-HRAATJIYSA-N 416.478 0.423 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c1Cl 1780192724 PBUBWEDICXDDIS-LJQANCHMSA-N 404.854 0.921 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1781241949 NQFMXLILMPLCPU-QRWLVFNGSA-N 403.866 0.656 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1781270532 HLHQOOSVQCKLEY-NRFANRHFSA-N 407.511 0.812 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)ccc1F 1781295720 QQBYMFOSYDFBHZ-OXJNMPFZSA-N 416.409 0.178 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1781396372 LNKCODORKQIABX-YJYMSZOUSA-N 419.438 0.419 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1781399967 GPIFIECCMOZWLK-XIKOKIGWSA-N 407.427 0.132 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CSCC(=O)O)C2)c1 1782223840 NSCRFISROSHKMV-DNVCBOLYSA-N 420.491 0.832 30 20 HCED O=C(CNC(=O)C(F)(F)F)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1782234134 IFQUESTZYBESGJ-RDTXWAMCSA-N 415.412 0.592 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]([C@@H](C)OC)N(C)C(=O)OC(C)(C)C)CCO2 1783053269 SRUYCKFGSSZESW-LDBYXDLTSA-N 423.510 0.720 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cc(C)c(O)nc2=O)C1 1783118813 QJHFRVPTKKQLLA-FOIQADDNSA-N 404.467 0.347 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783959519 XDMVVWVADDABBP-SFHVURJKSA-N 414.480 0.144 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)c3cccs3)C[C@@H]21 1784380707 XBUYKUJGFIVVDI-ULQDDVLXSA-N 415.515 0.871 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1784491463 DOPLMWPZXMCSSJ-BZSNNMDCSA-N 407.511 0.571 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784631355 UABHBGASXGZRRV-KKSFZXQISA-N 416.526 0.864 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H]2C1 1785220688 FSTYBMUVKAJNHT-SZMVWBNQSA-N 416.526 0.604 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnnn4C)[C@H]3C2)c1 1785468112 XIBLFZLTUOBALJ-IEZWGBDMSA-N 408.462 0.902 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CSC(=N)N)[C@H]3C2)cc1 1786779144 ZLHWNXZTOHMTDD-JYJNAYRXSA-N 401.492 0.778 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOC3=O)[C@H]2C1 1788137299 AZQUWTCGZUWGQZ-LUKYLMHMSA-N 423.510 0.382 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3nnc(C)o3)C[C@@H]21 1788573516 VYAGENGCPJHCEG-YHUYYLMFSA-N 406.483 0.473 30 20 HCED CC(=O)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788657589 BYNGXLYXIIXVLK-IQHHBFBMSA-N 409.483 0.864 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676810 LHQGIWINKZVNEN-HIRDXMILSA-N 401.463 0.717 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1789957475 WBCCMLMWNLEXTG-QPSCCSFWSA-N 424.527 0.677 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1790878326 WTASLVFTBPVRJN-AVGNSLFASA-N 412.441 0.511 30 20 HCED CC(C)[C@@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]nnc3n1)C2 1793608719 RFQAWLJKVGXGFS-FBKDDSFISA-N 405.484 0.019 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCN1C(=O)OC(C)(C)C 1793631345 CLTPOPZETVXMBZ-RMEBNNNOSA-N 413.540 0.904 30 20 HCED N#Cc1ccccc1OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cncnc1 1794168070 ASXXJNQIMAZGNT-OPMZPASUSA-N 421.457 0.559 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccc(F)cn1 1794920370 ZJQMNZHVZXJLIZ-SXDNJMQMSA-N 420.441 0.953 30 20 HCED CC(C)(O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1795367628 VAHPWUQLCOKDED-CWPLJXCYSA-N 403.454 0.990 30 20 HCED N=C(N)SCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1795504725 DAXINTQZKYMFOO-GVBSGIKUSA-N 422.532 0.703 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1nc(C)no1 1795815562 PQPUMXMBCBTITN-ZSBFGKGUSA-N 406.439 0.020 30 20 HCED N=C1NCCN1CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/C(=O)c1cccs1 1796894905 IKXBOKIWFOFLSE-ISFILERXSA-N 415.519 0.965 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2nc[nH]c2c1 1797407913 QPFNOGPBFOHCLR-PFIYSYJPSA-N 423.473 0.625 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1)C2 1798265386 DJCIIAUUDMFGGT-KYHPRHEASA-N 400.435 0.875 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641850 FRKRRQASTIILFV-GEALJGNFSA-N 422.489 0.884 30 20 HCED COC(OC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(C#N)cc12 1799883100 LKFXUZIYXGYYEJ-YWVIFJGQSA-N 413.434 0.257 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccoc1I)C2 1800451916 NQNNHTDOITYKKA-DDFAGTSDSA-N 414.199 0.721 30 20 HCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)C2)cc1 1800520164 OMKLKBFZBMCUOR-UGNRZPKXSA-N 410.474 0.217 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)Cc1ccccc1 1800632102 KKEBFBIHOMESNG-UVBQOVKKSA-N 402.491 0.771 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)COCCOC)[C@@H]1c1cccnc1 1803544991 ZWBMCCDJWFUDNN-IMFGXOCKSA-N 403.479 0.789 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806816121 FIYDYRYXJZDECM-XZKMEQPCSA-N 400.479 0.957 30 20 HCED CS(=O)(=O)CCC(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806854651 FYJRMGOPTCEJRF-NVXWUHKLSA-N 404.492 0.826 30 20 HCED Cc1nnc(CC(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)s1 1807539734 YZWOYGRQSRJDED-IFXJQAMLSA-N 413.459 0.578 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NC=O)[C@H]1c1cccnc1 1808454455 HFOYITWSMVJCAD-IEZWGBDMSA-N 416.478 0.731 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(Cl)nn2)[C@H]1c1cccnc1 1812880309 ITTPBOSDPXTEMS-ACJLOTCBSA-N 413.821 0.933 30 20 HCED C=CCSCC(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815054335 PHHZJIIYHUDBNR-GHMZBOCLSA-N 411.553 0.567 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4c(c3)CNC4=O)sc2C1 1819374060 ZCOBBEBECCOWJE-GFCCVEGCSA-N 424.438 0.700 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNC(=O)OC)CC2 1819722371 ZMRLAWMZLAXFFC-MFKMUULPSA-N 410.496 0.984 30 20 HCED CN[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C#N)c[nH]2)n[nH]1)C(=O)O 1820306498 LSYCSQVQPBBJAR-HUUCEWRRSA-N 413.438 0.978 30 20 HCED N#Cc1cc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C(O)O)[nH]n2)ccc1F 1820910922 SVAKULGKQIAHPP-OAHLLOKOSA-N 401.398 0.966 30 20 HCED C[C@@H](S)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822381082 NSDRERYTPHUGMG-LDYMZIIASA-N 417.455 0.160 30 20 HCED CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CS(C)(=O)=O)CC2 1823079881 QJPGXFMVNYOTDJ-QWRGUYRKSA-N 416.525 0.901 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1826681683 YAXUKLQFYOCVCU-INIZCTEOSA-N 423.477 0.955 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CNC(=O)c4ccco4)C3)C2)C1 1829666702 KDDJDSQFIQEKMF-OAQYLSRUSA-N 417.462 0.432 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccn4cn3)C2)C1 1830056687 NKHNFMKDJSCDOF-NRFANRHFSA-N 411.462 0.954 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1830059766 LKLNWCWQROBPSV-IBGZPJMESA-N 408.405 0.980 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830462541 DWFNMYPUZMPJKA-KKSFZXQISA-N 401.463 0.328 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CCC1)CCO2 1830554809 NCFCJSXNIJWQKO-LKWHPCHFSA-N 417.506 0.658 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)CC1 1831159885 BURQIRMGXJFJOD-NVXWUHKLSA-N 421.494 0.187 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)cn3)C2)C1 1831393398 LKFFZYMABIKMBU-KKSFZXQISA-N 419.453 0.258 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1831418901 HWZFFHOZLRYEOH-OPYAIIAOSA-N 410.511 0.993 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1831419661 QCDXSMOQVUGYNJ-YWZLYKJASA-N 406.435 0.510 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1832453308 TXQOSRSODSZLGN-IBGZPJMESA-N 423.491 0.482 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnc3)CCO2)C1 1832672362 XTCSVJSZRBCCOI-DYESRHJHSA-N 419.478 0.508 30 20 HCED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)cn1 1834173299 KLNCCQGDGCKQQS-NRFANRHFSA-N 409.446 0.676 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1835102352 RDFMVVVDRAWCPA-HSZRJFAPSA-N 421.453 0.909 30 20 HCED COCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835233780 DNRHXHLYCHZLKJ-HXUWFJFHSA-N 405.426 0.804 30 20 HCED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1C 1835342997 WHJRZPGPMPMXLB-NRFANRHFSA-N 414.462 0.772 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835555592 HMWMKKNBYSGOBT-KKSFZXQISA-N 424.542 0.028 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccn(C(F)F)n3)CC2)CC1 1835955860 XKIGKLQATKCZHH-UHFFFAOYSA-N 423.420 0.551 30 20 HCED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)S)CC3)CC2)nn1 1836057304 CFPBFTHKFPIHII-ZDUSSCGKSA-N 407.540 0.989 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1836861455 BEISOYVEAZUNFV-JKSUJKDBSA-N 405.495 0.159 30 20 HCED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)COC1 1837486567 JNRUXIZBBHSWHZ-QFIPXVFZSA-N 420.506 0.178 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837583046 AETRGLZCQQWYNQ-OXQOHEQNSA-N 406.483 0.308 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)[C@H]3SC(=N)NC3=O)CC2)CC1 1838099952 NBDPGGOBVNGYBE-BLLLJJGKSA-N 406.508 0.421 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)CCO2 1838589726 UOTJVFOISVEOQT-QKKBWIMNSA-N 413.430 0.109 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)/C=C/c4cnc[nH]4)C3)C2)c1 1838741800 BTCLJXZGYSNLDA-IUINOXSKSA-N 410.434 0.393 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839715535 IAPSCHQXIMXYGC-FQEVSTJZSA-N 412.450 0.162 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1)C(F)(F)F 1839891641 QGAKASVRAQENAM-QGZVFWFLSA-N 421.416 0.476 30 20 HCED Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1Cl 1840044997 LXSDNOJAJQDANM-HXUWFJFHSA-N 420.849 0.806 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840143758 DEWGZRXPFJAHSS-LZJOCLMNSA-N 406.479 0.774 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840168772 RAVXKZHIZXMFLM-ODAUKNCYSA-N 404.511 0.718 30 20 HCED CC(=O)Nc1ccccc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840723512 LRBIXTDEBBWELH-FQEVSTJZSA-N 400.435 0.629 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(C(=O)OCC)CC1)CCO2 1840817902 AGVNFIXEHAFEFD-NRFANRHFSA-N 423.510 0.887 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cn(C(C)(C)C)nn1)C2 1841055019 TUNOFJNIIDDHRZ-FPLPWBNLSA-N 400.483 0.709 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@H](S)C(C)C)C1 1841625665 UJXSVKNOJNSDFV-HUUCEWRRSA-N 400.497 0.639 30 20 HCED COc1nn(C)cc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1842348610 YHZBVNDCYJEAFS-UWSDUSPXSA-N 405.455 0.775 30 20 HCED CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)C(C)(C)NCCC#N)C3)CC2)CC1 1842920769 XUPMJEBXDKJHMD-UHFFFAOYSA-N 416.570 0.252 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1844237734 JXWDFVODDUABMQ-OAHLLOKOSA-N 411.462 0.480 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796063 DXQGISJLIPPYOF-MRXNPFEDSA-N 402.407 0.198 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O)C2 1845957789 NIHSRZHZXKBALQ-FOIQADDNSA-N 405.495 0.831 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 10673412 GPRCXNXWYYGSLR-SFTDATJTSA-N 412.446 0.978 30 20 HCED C[C@H]1CCCCN1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 27962631 PGPDTIGHTWKSEI-HNNXBMFYSA-N 412.537 0.984 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 29253633 OKQNCYINUVOKJW-AWEZNQCLSA-N 400.483 0.625 30 20 HCED C=CCN(C(=O)c1cc(S(=O)(=O)NCC)ccc1F)[C@H]1CCS(=O)(=O)C1 108938347 GAJSCUJIMUQTCM-LBPRGKRZSA-N 404.485 0.939 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 110440339 KPOFQLDMICETAP-MRXNPFEDSA-N 421.523 0.196 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)CCO1 410135182 PWUSQKTZCMUKSC-UKRRQHHQSA-N 423.413 0.795 30 20 HCED C[C@H](CN1CCOCC1)N(Cc1ccccc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410144835 YNBYVNCZDLMMTD-MJGOQNOKSA-N 408.524 0.678 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN([C@@H]2CCC[C@H]2O)CC1 426542529 ZGTOSBSGAPXJLT-ATZDWAIDSA-N 413.526 0.946 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3c(nnn3CCOC)C2)c1 432295017 VBGQNAUIKHDWMI-UHFFFAOYSA-N 405.480 0.587 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 435051909 RTCBHZLAHDKHOT-CQSZACIVSA-N 409.464 0.231 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O 440283045 OCEURFUYDDPLSY-MRXNPFEDSA-N 422.507 0.557 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 441599508 CCGPIWOBNAMUGL-GOSISDBHSA-N 421.457 0.524 30 20 HCED N#C[C@@H]1N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC[C@]12CCCCO2 447908547 BRZHFPDQVPZYTO-AZUAARDMSA-N 420.535 0.920 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(S(N)(=O)=O)CC3)C2=O)cc1 460654758 JRHKVAACEAVDCR-MRXNPFEDSA-N 405.480 0.516 30 20 HCED COCC1(C#N)CCN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 463822924 AVAGRWGVOIBUOH-UHFFFAOYSA-N 413.478 0.336 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 464428196 RXFLPFAOVRVYIF-CQSZACIVSA-N 417.509 0.334 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465410376 WQLFUXNTHWLUGA-ZDUSSCGKSA-N 405.418 0.904 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 469971330 DUZQWNQBCLYXJB-LSDHHAIUSA-N 402.499 0.916 30 20 HCED COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCC2CCN(CC#N)CC2)c1 472736687 OIOZOEHBVAXZEU-UHFFFAOYSA-N 409.464 0.774 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 475187065 WDGYXZPPTFISPU-HUUCEWRRSA-N 424.461 0.645 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCN3CCc4sccc4C3)CC2)n1 478887184 POWQBKIISKVBJH-UHFFFAOYSA-N 424.530 0.838 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 485698046 RHIKVIYXXGMJIF-INIZCTEOSA-N 421.475 0.512 30 20 HCED C=CCOC[C@@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)C(=O)OC 487610768 ZRHUQUZFDKQQME-MRXNPFEDSA-N 411.476 0.870 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 491123528 MFQJCMLHBNNHCH-UHFFFAOYSA-N 418.469 0.999 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 495202981 UIOBXTHMCDHXPV-UHFFFAOYSA-N 413.478 0.662 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(C)o1 495845043 KBXHHWGMCIFZDS-MRXNPFEDSA-N 414.466 0.654 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1Br 499214885 DLFLUZTXVNZZEV-LLVKDONJSA-N 416.253 0.189 30 20 HCED Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1F 502052241 SUCYHNIRSCIHBY-UHFFFAOYSA-N 423.473 0.862 30 20 HCED Cc1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nn1-c1cccc(C#N)c1 506478108 DYPATVHQCHVUCI-GOSISDBHSA-N 422.489 0.715 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)NC[C@@H]1CCCO1 507418249 QXQFFYOCVBWCGO-HNNXBMFYSA-N 405.480 0.985 30 20 HCED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)NCC(=O)N1CCCC1 507503042 FJVLWCXMDZZTBR-UHFFFAOYSA-N 423.520 0.705 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C 507763763 POMZFGXYSNEDDS-NVXWUHKLSA-N 416.478 0.844 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 508839102 CETYVQBDDSQMCB-HIFRSBDPSA-N 410.544 0.817 30 20 HCED NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)NCC#Cc1cccc(F)c1 513912789 IBVFAOJZFLNLLJ-UHFFFAOYSA-N 403.391 0.549 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccco3)c2=O)CC1 516375259 YKMVXCQXGDZVBP-UHFFFAOYSA-N 412.515 0.895 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CCOCC1 517557768 UXNQZIKBYBEDOQ-UHFFFAOYSA-N 419.463 0.422 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 519126155 RAVVXXXDUQMFMX-PSBWJHGTSA-N 409.446 0.154 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 521731307 SHVNHHXGDIIBLR-INIZCTEOSA-N 408.524 0.547 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 522694572 OWVPNYCXRAINLO-SNVBAGLBSA-N 402.379 0.248 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 531696641 GJYNPXGNZVEBHB-WCQYABFASA-N 404.414 0.978 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(N3CCOCC3)n2C)CC1 537069771 FIDDVLITGMCMFG-OAHLLOKOSA-N 407.544 0.436 30 20 HCED COCC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 539362837 CKAFQOUIAXJOOL-IBGZPJMESA-N 417.485 0.325 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCOCC2)C(=O)O)cc1C(F)(F)F 548531998 AURMFQZWTSXQOF-CYBMUJFWSA-N 407.370 0.641 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)CC2)cc1 550891103 LSVPSNCGUBNDHG-LJQANCHMSA-N 406.490 0.989 30 20 HCED CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 551446675 GYOZUNCTSKOWKG-DZGCQCFKSA-N 400.439 0.352 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 551730991 XZWZIVQLKCPJKX-KDOFPFPSSA-N 400.435 0.695 30 20 HCED C=CCOC[C@H]1NC(=O)N(C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1=O 552728483 XBWGOGKWBARUBN-FUHWJXTLSA-N 419.453 0.966 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCN(CC)S(C)(=O)=O 556652015 VZGAREBIABLHPJ-UHFFFAOYSA-N 406.508 0.861 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F 558091127 GBMRDVMGRYGQQE-ZDUSSCGKSA-N 404.489 0.637 30 20 HCED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 568066573 MGJNGDUSJIHPAV-ZIAGYGMSSA-N 412.368 0.551 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@](C)(C#N)CN(C)C 569761508 STRMYWJVSGQSCV-SFHVURJKSA-N 410.496 0.290 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCCCC)C2(C)C)CC1 576383093 JITLYXJUJNSNHI-SJORKVTESA-N 408.543 0.533 30 20 HCED N#Cc1ccncc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 577521498 GFIZZMMNAFTQPN-AWEZNQCLSA-N 420.472 0.671 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cncc(C#N)c2)c1 584082837 MJRMNNWZOHDBMG-NSHDSACASA-N 423.476 0.167 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN(C)C3CCCC3)CC2)c1C#N 588076768 BAYXNQCSUZQKGO-UHFFFAOYSA-N 401.515 0.239 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cn[nH]c1 610487832 YSQYKGFKHUDWCS-UHFFFAOYSA-N 402.480 0.246 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1=O 623217218 KAVQHFRNMXAZFQ-INIZCTEOSA-N 400.435 0.153 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 726043862 UIEBPJAHWOMEEI-JTQLQIEISA-N 404.335 0.442 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)cc1 731124936 RVWHKYAEBCBFNL-UHFFFAOYSA-N 401.444 0.862 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CN(C)CCN1C 731873368 QEJFHCZWVRUBNW-WBVHZDCISA-N 421.567 0.646 30 20 HCED C[C@H](COc1cccc(C#N)c1)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 733863768 RQIJFAOHYGNVGY-CYBMUJFWSA-N 411.418 0.706 30 20 HCED C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733977506 MXURAQJEHRLACT-HNNXBMFYSA-N 407.540 0.257 30 20 HCED CN1CCC[C@H](N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)C1 738209402 AVVHBDHSXVLGFH-UGKGYDQZSA-N 410.522 0.995 30 20 HCED C[C@@H](CC(=O)NC(C)(C)CCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742848520 IJGXKHSBFQMJJV-LBPRGKRZSA-N 415.537 0.833 30 20 HCED COCCN(CCC#N)CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 744405312 HRHFSHBGBURRMY-LJQANCHMSA-N 403.439 0.355 30 20 HCED CN1CCN([C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)c2cccs2)CC1 746343251 ABJTVPJYXFVFMY-HNNXBMFYSA-N 401.496 0.512 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 747993852 RTBDDMDTNUCAII-UHFFFAOYSA-N 414.437 0.879 30 20 HCED CC(C)[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749728595 PNHADJIXCLVACO-MXVUGKIDSA-N 424.523 0.961 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCOC1 749862985 UOLUBTWWYHPCAP-KGLIPLIRSA-N 400.504 0.798 30 20 HCED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 751453999 CYOYOCLPJOSDKZ-UHFFFAOYSA-N 419.381 0.973 30 20 HCED CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 751533606 QJJCYKFHZSEUJG-UHFFFAOYSA-N 400.400 0.917 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C)cn2)c1=O 758079731 QDUCQTALRVFIDZ-UHFFFAOYSA-N 401.451 0.783 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)cc1 766263144 CFELKVLSSJODOY-HNNXBMFYSA-N 413.521 0.469 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 767545408 PHHYXNFIDHJHQV-UHFFFAOYSA-N 402.451 0.670 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n(C)c1=O 771891392 NPSBEFYQJXBWLQ-UHFFFAOYSA-N 406.395 0.796 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 777909597 ZXUOCGIAGSPRHE-ZDUSSCGKSA-N 417.409 0.739 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 784485432 IUMDXQMAWKEBQL-ZNMIVQPWSA-N 405.451 0.907 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)C1=O 798546366 VUKOKQWGXLLKCZ-HNNXBMFYSA-N 403.460 0.852 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCc2cccc([N+](=O)[O-])c2)c1=O 800866344 YHRCXTAUDSQVLI-UHFFFAOYSA-N 401.423 0.584 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cc(C#N)ccc2Cl)(C(N)=O)C1 805078504 ZYFCOFWZYMBGIJ-UHFFFAOYSA-N 414.871 0.965 30 20 HCED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NN3CC(=O)NC3=O)c2)cc1 807062128 NFGTVKNHQTVYSA-UHFFFAOYSA-N 407.386 0.853 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 807338925 PCCZQQCSPDNBKA-SFHVURJKSA-N 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1839446228 JQTYAGHZQSSCSB-YCRPNKLZSA-N 420.462 0.759 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)CCSC)C2)C1 1839845721 ZFRIWIZNFYSCNK-FCEWJHQRSA-N 400.541 0.769 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1839887959 UVFCPTCBKOZCLN-QGZVFWFLSA-N 414.409 0.847 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1)C(F)(F)F 1839894383 AFLORNXLHCUFDC-QGZVFWFLSA-N 415.368 0.976 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1840156538 QMLHVLUWYSLTDS-KUHUBIRLSA-N 423.491 0.912 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1840293798 VPXLDRIAPFSWHW-RXVVDRJESA-N 417.510 0.564 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)cc3O)CCO2)C1 1840667323 ZZCZLHHZNDCKNF-VGSWGCGISA-N 416.474 0.809 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815041 TZJJHXMWXSAZJM-JXFKEZNVSA-N 406.483 0.938 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)NCCSCc2ccccc2C#N)n(C)c1=O 18106609 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C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1 463389542 IUBYECPFAXOKFM-JKSUJKDBSA-N 415.537 0.741 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc3c(cc2OC(F)F)OCO3)C1=O 465073006 FXUMLDBPAITKHY-UHFFFAOYSA-N 411.317 0.610 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC(C)(C)O3)CC1 469632342 PZTYDVPLUCDDBR-UHFFFAOYSA-N 400.479 0.785 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(N4CCNC(=O)C4)ccn3)C2=O)cc1 469802278 YFKACWUXORBORE-SFHVURJKSA-N 418.457 0.815 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CCS(N)(=O)=O)CC1 471049186 ZXSOSJMRSRKVHB-MRXNPFEDSA-N 423.539 0.236 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)n1 471347480 CMDJWWIFTKHCFM-QGZVFWFLSA-N 424.505 0.428 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)cc1 474491976 FDJTYNJVBMZIQG-UHFFFAOYSA-N 419.467 0.259 30 20 HCED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476315134 PDCSJPJQOUCGHH-QZTJIDSGSA-N 418.519 0.978 30 20 HCED 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503648471 JVLIOILOVMLAJQ-UHFFFAOYSA-N 404.448 0.734 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)N1C[C@H](C)O[C@H](C)C1 506908725 NFNHQNLRLFSYGQ-BETUJISGSA-N 406.468 0.331 30 20 HCED CCCNC(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1Cl 508351961 YSQQRNYHKFJURB-UHFFFAOYSA-N 403.830 0.698 30 20 HCED Cc1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nn1-c1cccc(C#N)c1 508537188 GQKOLYOAXBWCLP-SFHVURJKSA-N 413.503 0.997 30 20 HCED C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508712995 IXYDWOVXWFEUNB-HZPDHXFCSA-N 411.528 0.946 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508922923 SGKNQINWRCDZJF-UHFFFAOYSA-N 423.499 0.242 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 509206289 WBTCFKFJYCWBRH-KBPBESRZSA-N 406.464 0.462 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 521935161 NRNKFJREGHTEPU-UHFFFAOYSA-N 406.446 0.877 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cn2)c1=O 524344179 OUNLWSGJCWABIO-UHFFFAOYSA-N 405.277 0.502 30 20 HCED 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1837814168 BZJWNJPJMSBJIN-OAHLLOKOSA-N 410.515 0.874 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nccnc1C)CCO2)C(F)(F)F 1838216294 KVUSQSFQQMNLAP-QGZVFWFLSA-N 414.384 0.974 30 20 HCED C[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044100 LAXXMJLSXBHQHV-HTAPYJJXSA-N 414.458 0.410 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1840156863 WVORQBCDQAZIRG-GQIGUUNPSA-N 422.551 0.766 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840158966 UHDKOATYVXIWBD-SCLBCKFNSA-N 402.513 0.493 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)CCSC)CCO2)C1 1840194823 HBQYXXYMBXHRSU-GJYPPUQNSA-N 416.540 0.148 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840782324 UKVMXGLEPXBCPT-HXUWFJFHSA-N 405.426 0.692 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](N)c4ccccn4)C3)C2)CCC1 1840813006 YDFIEWQNDZMMMT-LAUBAEHRSA-N 413.478 0.232 30 20 HCED CCOC(=O)N1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)CC1 1840817030 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422.276 0.852 30 20 HCED N#Cc1cc(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)ccc1C(F)(F)F 410152106 UYTOZVWVUWMPCV-UHFFFAOYSA-N 412.411 0.795 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 430555347 IFAWAHXKATWYOJ-PVAVHDDUSA-N 424.523 0.299 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)C1=O 440252937 GGNOYYJKQYQGFN-CQSZACIVSA-N 408.480 0.087 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)C1=O 440263709 GDEPGEBWOXCUPL-OAHLLOKOSA-N 411.466 0.970 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)cc1 442083784 SPCMRJWLFNEHRO-HNNXBMFYSA-N 416.478 0.637 30 20 HCED COc1ccc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)cc1OCC(N)=O 442331810 JLYWZLOAXKOUIC-UHFFFAOYSA-N 400.366 0.825 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3CCCOCC3)n2)c(F)c1 446240259 YCHXYBARYUTPOU-UHFFFAOYSA-N 400.414 0.660 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)C1=O 466504160 HOHPTWGZDPPECB-XLIONFOSSA-N 421.519 0.687 30 20 HCED COCCOc1ccccc1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 476704040 VFFBVZTWBCMXMN-UHFFFAOYSA-N 423.473 0.943 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)cc2)c1N 479435649 HESCPXWKUHZIPT-UHFFFAOYSA-N 407.434 0.921 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 481576928 KSWQXLYAHWDNTO-OAHLLOKOSA-N 416.883 0.828 30 20 HCED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2C(=O)C(=O)NC[C@@H]2C1 485423625 OIWBNSBZUASBOF-CHWSQXEVSA-N 415.519 0.858 30 20 HCED Cc1ccc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 490232706 YJRDUIAFGCGJEH-UHFFFAOYSA-N 404.370 0.601 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 506960903 ICQZQJIXQBSTIF-UHFFFAOYSA-N 409.468 0.529 30 20 HCED C=CCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508494067 NSLWIYUXGODVBD-QGZVFWFLSA-N 411.510 0.895 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 512451576 JATUSIZPXMPLJD-ROUUACIJSA-N 405.524 0.687 30 20 HCED Cc1nc(CN2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)no1 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COc1nn(C)cc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1805307749 JESQEBFNDIJIPR-KBXCAEBGSA-N 411.418 0.231 30 20 HCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)[C@H](O)N3CCOCC3)[C@H]2c2cccnc2)CC1 1806852472 OKZSSCGGABWWQJ-BZSNNMDCSA-N 413.478 0.042 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCC#N)[C@@H]1c1cccnc1 1806860722 OKINMYYISHBBPL-KYJSFNMBSA-N 421.523 0.719 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2ccnn2)[C@@H]1c1cccnc1 1807673093 BXLZSFGEOOJUMI-CGYSWORWSA-N 423.477 0.238 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)CCc2cnccn2)[C@@H]1c1cccnc1 1812882380 NHUQCYCNSLTVLD-HRAATJIYSA-N 407.430 0.598 30 20 HCED C#CCCC(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1814101019 BVODZOLKEBOKHF-JTSKRJEESA-N 408.458 0.816 30 20 HCED CC(C)(C)OC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1825509409 HHBLBGWIIMICLT-SNVBAGLBSA-N 422.463 0.668 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1830057671 KEXVMMSNKHJDIH-FQEVSTJZSA-N 401.467 0.449 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c1 1830585577 ARBMNJYDVXSTFA-OBFZPWGMSA-N 413.474 0.708 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1830639551 YSJMRNZCNPRTEX-QFIPXVFZSA-N 419.522 0.834 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCCN3C)CCO2)C1 1830769388 QUNZAELCUNATQR-NJNPRVFISA-N 423.554 0.500 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCO2 1830781882 HYCKDLGXFMKENS-OAQYLSRUSA-N 423.510 0.769 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3)C2)C1 1831397526 RVTXAHRWBCUZRN-IERDGZPVSA-N 404.438 0.934 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1831427717 YRXRHABBBAJKDY-UZLBHIALSA-N 404.467 0.446 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3=CCCS3)CCO2)C1 1831549764 VYRZYNISWLAPCS-FQEVSTJZSA-N 422.551 0.745 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1832461480 XMWNTQIFVNLSGG-HXUWFJFHSA-N 420.535 0.819 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@@H](O)C(C)C)CC2)CC1 1833344015 QJICGJRRZOFNQE-RMUOZIPVSA-N 420.554 0.433 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccns3)CCO2)C1 1833772796 HCEYSKDOQDVVSF-LJQANCHMSA-N 421.523 0.495 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834211545 PPNXYLPQONSAOY-LIRRHRJNSA-N 408.455 0.854 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n1 1834248180 OZAUQCSJDIYSHG-OAQYLSRUSA-N 409.446 0.676 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3CC)CCO2)C1 1834519040 AXHMPPVSCWQJIR-UTKZUKDTSA-N 421.494 0.880 30 20 HCED Cc1nn[nH]c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098799 QMPPQTIKSXQTGI-OAQYLSRUSA-N 409.446 0.235 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1835098899 SWHSLNWNBHNXJL-JOCHJYFZSA-N 408.458 0.391 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835616272 FSMWUCRPKKNJCG-KURUZVKSSA-N 423.558 0.303 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](NC)C(=O)O)CCO2)C1 1835753226 YRGZWBYESONDKW-UWJYYQICSA-N 423.510 0.274 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5nncn5c4)CCO3)C2)CC1 1837015281 NBSYFZXJUDYCND-FQEVSTJZSA-N 410.434 0.103 30 20 HCED Cc1ncc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1837364644 JEWKBAANYOFZNF-UHFFFAOYSA-N 400.435 0.485 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1837403532 VFYYRHFWZLVSMI-PNXXNBOHSA-N 424.538 0.567 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837416042 WJLZZBDCDJFPIM-UTKZUKDTSA-N 422.478 0.645 30 20 HCED Cc1noc(C)c1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837439095 IPWUVAGXXWNANM-UHFFFAOYSA-N 403.435 0.992 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838512405 OTNLTMCSXDNTBQ-KKSFZXQISA-N 419.478 0.269 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838638942 URXKJPMNLOQFON-NRFANRHFSA-N 418.494 0.832 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950410 TZQFBDRDCQDOKZ-RXVVDRJESA-N 400.479 0.626 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058119 KGZQCSDZHHUXGJ-UWJYYQICSA-N 403.479 0.672 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839188195 PKXORMZWUFEALK-VFNWGFHPSA-N 419.453 0.731 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)ccc1-n1ccnn1)CCO2 1839479630 UTXUIXCCURWZSX-OAQYLSRUSA-N 409.446 0.279 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c3c(nn1C)CCC3)CCO2 1839584348 LQILDAQWSXZPFZ-QFIPXVFZSA-N 414.506 0.782 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=C)C(F)(F)F)CCO2)C1 1839891549 LGGFJHFBKFLJLR-RHSMWYFYSA-N 404.385 0.600 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840158965 UHDKOATYVXIWBD-FZKQIMNGSA-N 402.513 0.493 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc4nc[nH]c34)C2)C1 1840160096 WSRPWSULVNXRPB-SGTLLEGYSA-N 405.480 0.346 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(O)c1 1840162454 XWTWHMKJHHKEQI-BFUOFWGJSA-N 410.492 0.789 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840175625 VXZALVRKBTWBRW-LJQANCHMSA-N 403.414 0.515 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCO3)C2 1842920536 WXXFYUFGCRSBDV-UHFFFAOYSA-N 400.483 0.764 30 20 HCED O=C(NCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)c1ccco1 1843078296 UDKWJBKQIHCIAN-LPYMAVHISA-N 401.467 0.685 30 20 HCED COC(=O)c1ccc(OCC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc1 1847150280 WVDJPKSAMFBXOV-UHFFFAOYSA-N 400.387 0.143 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(CNC(C)=O)s2)c1=O 7394592 SCNCKAKYMPYBAJ-UHFFFAOYSA-N 404.448 0.124 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11153733 PZRZZYCXOSWZJO-UHFFFAOYSA-N 414.487 0.760 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2nccc(N3CCn4cnnc4C3)n2)cc1F 427790527 AFDZFTUGYUJKEX-UHFFFAOYSA-N 400.399 0.900 30 20 HCED N#CCCn1ccc(NC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)n1 434222316 HYTOXYOJBSXHDN-AWEZNQCLSA-N 408.418 1.326 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(Cn2cccnc2=O)c1 438750572 GRVZMLKWVHRJFV-UHFFFAOYSA-N 410.478 0.924 30 20 HCED COC(=O)[C@H]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H]1C(=O)OC 442116312 VCCMUGKLMYGOGC-HOTGVXAUSA-N 411.418 0.893 30 20 HCED N#C[C@H](C(=O)c1cn(Cc2ccccn2)nn1)c1nc(N)nc(=Nc2ccccc2)[nH]1 442643178 GBTHHGVEKHKTBY-OAHLLOKOSA-N 412.417 1.144 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccn(CCOC)n1)[C@H](C)c1cccc(-n2cnnn2)c1 444574517 WBBREYNZUANQTC-OAHLLOKOSA-N 424.465 1.220 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(CS(=O)(=O)NC2CC2)no1 445666187 MWTIOQWSGDOFHK-UHFFFAOYSA-N 401.452 0.968 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(c2ncon2)CCOCC1 461548999 PQVDAXBQLJWIEN-GFCCVEGCSA-N 405.436 0.430 30 20 HCED CC1CCC(NS(=O)(=O)CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 465124480 XRHQJLAKKKJDID-PCKAHOCUSA-N 420.539 0.883 30 20 HCED Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465124600 YLNKNAORIUUXCV-GFCCVEGCSA-N 406.450 0.993 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 471318007 RMZYHOTZVNJXBI-NSHDSACASA-N 411.498 0.593 30 20 HCED Cn1cc(N2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2=O)cn1 473859606 OURQBYCSLVGKQJ-SFHVURJKSA-N 406.446 0.658 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 475616451 NRENTVBPGGJYQH-UHFFFAOYSA-N 413.434 0.884 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCC#Cc3ccccc3)cn2)C[C@@H](C)O1 475713797 KSKMHPHLAOSUGB-IAGOWNOFSA-N 423.473 0.625 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1=O 475825145 DSPCTKKBZKVJJH-IAGOWNOFSA-N 412.446 0.329 30 20 HCED Cn1cc([C@H](CNC(=O)c2ccnc(C#N)c2)NC(=O)c2ccnc(C#N)c2)cn1 476417117 JDOFUTNBIFYFFS-SFHVURJKSA-N 400.402 0.855 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)c1 478999845 XZAKYVSJHPJGOQ-HOTGVXAUSA-N 423.491 0.591 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 479888082 OXUIPOFZNNTOPK-NVXWUHKLSA-N 408.524 0.698 30 20 HCED C[C@H]1CN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)CCO1 481781589 QJHMDLMWUIAIHP-HOTGVXAUSA-N 420.535 0.937 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cn1C 483521092 AVKGUSBLNKFRJK-KDOFPFPSSA-N 410.544 0.478 30 20 HCED C[C@H]1CO[C@@H](CO)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485229576 KBSYOZKYCLYWHW-LSDHHAIUSA-N 415.450 0.536 30 20 HCED C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 487509020 AZALZNBIQMNADP-YOEHRIQHSA-N 419.507 0.334 30 20 HCED C[C@@](O)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCOCC1 488263615 IHZSPGHYAHJNLT-WIYYLYMNSA-N 415.494 0.042 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488588994 BQFYDZQTTYFAEL-YOEHRIQHSA-N 424.461 0.818 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC(F)F)cc2)c1=O 489000486 FOCUSDZWNZZFKN-UHFFFAOYSA-N 421.425 0.410 30 20 HCED CN(CC(=O)NC1CCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 495274577 YJTMFKMRXJFLCG-UHFFFAOYSA-N 404.492 0.696 30 20 HCED N#CCC(=O)N1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 503645024 VJWZOWORYLFIKA-UHFFFAOYSA-N 401.379 0.867 30 20 HCED COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NCC(=O)NCC#N 508941558 IKWYVHKZRSRBAD-UHFFFAOYSA-N 403.439 0.005 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 531786082 XWCVIYKGWKLIJF-INIZCTEOSA-N 402.480 0.107 30 20 HCED C=CCNC(=O)CNC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 538556913 ILMSAHDJGWFPHO-UHFFFAOYSA-N 418.494 0.970 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 539206321 UUAXFPXURUCDFE-ZDUSSCGKSA-N 421.465 0.847 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 540681621 JVEVONRJWBPTKH-ZDUSSCGKSA-N 423.495 0.425 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@H](OCCO)C3)n2)c(Cl)c1 548415632 VNQLIWPXNOAOJV-AWEZNQCLSA-N 417.853 1.336 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCSC1 550833952 CAYABXRAACMOOJ-HXUWFJFHSA-N 401.536 0.760 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(F)c(COC)c2)CC1 557793132 UTSPLIVMEZPEFW-UHFFFAOYSA-N 406.458 0.035 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1)n1cnc(C#N)n1 561082718 HAXJOXSCRDTLHK-OCCSQVGLSA-N 404.452 0.495 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 561181535 APNGBJWQXVGXHC-UHFFFAOYSA-N 405.480 1.127 30 20 HCED CN(C[C@H](O)CN1CCOCC1)S(=O)(=O)c1cccc(Br)c1C#N 561474009 KUNQLDLEVMQKAN-LBPRGKRZSA-N 418.313 0.634 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cc(OC)n(C)n2)cc1 562144282 LTPOBMIWOJLVOS-UHFFFAOYSA-N 407.452 0.812 30 20 HCED COCCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 564790982 ZXXZBJMCFXDISZ-IRXDYDNUSA-N 416.478 0.402 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 565792340 PQPJJOQQOZNDTG-UHFFFAOYSA-N 402.358 0.263 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](COC)c2ccc(F)c(F)c2)CC1 568321210 DEUHNSZDZYGSJA-QGZVFWFLSA-N 424.448 0.215 30 20 HCED CCCN(CC(C)(C)O)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 571784469 PUYLJMKHJOEDSG-KRWDZBQOSA-N 400.479 0.785 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589503279 OFLQHHDMGOYPGU-HNNXBMFYSA-N 406.508 0.548 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC)c2=O)s1 609416590 BRSUZDJZDUTRKO-UHFFFAOYSA-N 403.529 0.915 30 20 HCED Cc1nc(=NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n(-c2ccc(C#N)cc2)[nH]1 610112508 NYMJMYFEEWJDFS-DFEHZGFQSA-N 402.414 0.615 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 616694942 LSYIXBBRMWZABX-UHFFFAOYSA-N 406.508 0.762 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2cccn2C)CC1 669817846 ZISPNJBTQVGZSV-AWEZNQCLSA-N 421.527 0.375 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 672456727 DLECTHUGFBKJQX-VKJFTORMSA-N 400.479 0.578 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)C1=O 726042567 JXZSTFAZAJSPBJ-LBPRGKRZSA-N 402.407 0.600 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795599 OPJKHZAAKOKNIH-UHFFFAOYSA-N 413.503 0.235 30 20 HCED N#CC1(C(=O)OCC(=O)N2CCN(C(=O)COC(=O)C3(C#N)CCC3)CC2)CCC1 736838457 AYCAKOXDOHVLIF-UHFFFAOYSA-N 416.434 0.131 30 20 HCED Cc1cc(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 738859093 DSCYBEXKGMQLDM-UHFFFAOYSA-N 421.413 0.802 30 20 HCED C#CCCN1CCC(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 740739131 WJUFLXUKKIWVFP-UHFFFAOYSA-N 405.520 0.925 30 20 HCED C[C@H](O)C[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741097431 DNWNPKVWDSRIAD-FWLDDUTDSA-N 424.523 0.961 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1 747784803 WTTAMCMEJLCOLQ-UHFFFAOYSA-N 407.492 0.505 30 20 HCED C[C@@H](CC(=O)NCC1CCN(CC#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748336416 UVACYCULFODSJC-AWEZNQCLSA-N 403.508 0.855 30 20 HCED C#CCN1CCN(C(=O)CN2CCC(C(=O)NCCc3cccs3)CC2)CC1 748815336 LNEVSASEHYGBTG-UHFFFAOYSA-N 402.564 0.896 30 20 HCED COC[C@H](Cn1cncn1)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 756607614 CVGYWZPEAIBUHT-OLZOCXBDSA-N 407.452 0.354 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(COC)c2)c1=O 758069729 WIQZCGAWRSFNFF-UHFFFAOYSA-N 409.511 0.965 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1C#N 760309975 NWYPCAPWXUPRHI-NRFANRHFSA-N 421.461 0.765 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cn1 772281289 BRSNCFGIXOTZIO-UHFFFAOYSA-N 403.467 0.978 30 20 HCED C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775322713 FUPZFGYLWIZKDV-HZPDHXFCSA-N 408.476 0.627 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O)[C@@H]1CCCO1 775786469 WXHGABJKXOTILW-TWOQFEAHSA-N 400.435 0.264 30 20 HCED COc1ccc(C(=O)NCc2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 781065161 SDJRUBOYUQUQEG-UHFFFAOYSA-N 416.459 0.913 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 781992176 YGFVVVSGPLPQQH-ZDUSSCGKSA-N 420.491 0.989 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCC)cc1C)[C@H]1CCS(=O)(=O)C1 783479999 NYLILRQBOWKCPV-HNNXBMFYSA-N 405.476 0.332 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 787545260 QSDFPSKNGYWNMG-UHFFFAOYSA-N 409.464 0.184 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CCN2C(N)=O)c1cc[nH]n1 789994097 KHYBRBHCFJEEOZ-UHFFFAOYSA-N 400.395 0.773 30 20 HCED C=CCn1c(-c2cnccn2)nn(CN(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1=S 793591753 SQIKIZXFKNEWKX-CYBMUJFWSA-N 409.541 0.980 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc([C@H](C)O)cc3)CC2)c1C#N 793647384 VERSIYUNDGRVSJ-HNNXBMFYSA-N 410.478 0.619 30 20 HCED C#CCN1CCN(C(=O)CN2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 796611361 DPBMIHVDYJNLLA-IBGZPJMESA-N 419.570 0.391 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cn1 801287861 JOJANIFQTUHBLB-RWQQGDIJSA-N 409.446 0.154 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 802577503 IBADSBGZMKJSBY-CYBMUJFWSA-N 400.505 0.743 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 803783380 WDVSJFAATUUZKY-IBGZPJMESA-N 423.491 0.807 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)c1 804052654 DNYUODQVCZQDGP-YLJYHZDGSA-N 412.490 0.907 30 20 HCED C#CCCCNC(=O)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 806910976 GBSAYTIAQXFXFQ-MRXNPFEDSA-N 420.510 0.586 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)nc1 808229930 VRNHKNSPMFDHJB-GFCCVEGCSA-N 412.372 0.151 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)[C@H]1CCCO1 809305524 FDLJANDVEACWKJ-WOJBJXKFSA-N 415.490 0.645 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1)[C@@H]1CCCO1 809309906 HPRRFBPKAIXHLQ-HKUYNNGSSA-N 403.454 0.776 30 20 HCED N#Cc1ccc(NCCNC(=O)NCCCN2CCN(c3ncccn3)CC2)nc1 916264043 RPPPJTJKVGOLDK-UHFFFAOYSA-N 409.498 0.667 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 917045607 YHKUJPYVRDLXHH-OAHLLOKOSA-N 408.480 0.427 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(C)cc(F)cc1C#N 1188717912 MJPFLNVESJTFJN-AWEZNQCLSA-N 413.427 0.075 30 20 HCED CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1299073298 MRVHFQPNURCPGO-INIZCTEOSA-N 405.466 0.956 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1321606085 DQRLQWCUARUWLH-LLVKDONJSA-N 422.488 0.660 30 20 HCED C[C@H](CC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1339531453 BDPWSCZNEXYBBL-ZIAGYGMSSA-N 416.507 0.632 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1359151039 LKEHJDMYQLDWJA-CQSZACIVSA-N 419.935 0.572 30 20 HCED CC[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1512670408 IYJHITAMVPFFHF-QOKNQOGYSA-N 422.555 0.518 30 20 HCED Cc1cnn(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1542829336 RFTLGAVQXQYVPE-HUUCEWRRSA-N 405.484 0.114 30 20 HCED Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1612450930 OVFCNPZQUZYESL-CABCVRRESA-N 405.484 0.114 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CCO1 1618693569 KWYHWXJBPZFKCT-QGZVFWFLSA-N 423.477 0.294 30 20 HCED CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1633794506 SSVQBTLQGGWXSW-IBGZPJMESA-N 405.455 0.974 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1664576488 NMYPQFRLNVIDFT-SECBINFHSA-N 408.299 0.620 30 20 HCED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1696506352 DAGZAWXBDBSOPT-UHFFFAOYSA-N 423.543 0.470 30 20 HCED Cn1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779068837 IFQBEQCNWXOYEI-JOCHJYFZSA-N 414.506 0.491 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1779833207 GJLGYRXHDQIUPI-NRFANRHFSA-N 418.494 0.935 30 20 HCED CS(=O)(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780182091 HWKOAFHLWTXYLD-VQIMIIECSA-N 422.507 0.449 30 20 HCED Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)n1 1780270741 SJPKZRGKUPENEP-NRFANRHFSA-N 415.494 0.821 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1782185884 AUVQNXNPRWOPJZ-VGOFRKELSA-N 415.490 0.619 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]21 1783683572 GNVBXNZQQZPHOT-BPUTZDHNSA-N 401.467 0.644 30 20 HCED 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30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1CCCC1)CCO2 1834655126 OMSGANLMXZNLHU-RHVSLNNASA-N 419.522 0.882 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)OC)CCO2)C1 1834857073 OHZSIZJKWISZIB-KRWDZBQOSA-N 404.410 0.607 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ncon3)CC2)CC1 1835713974 UWJJRXDVHCCZRV-INIZCTEOSA-N 405.499 0.828 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1 1835714670 TUBWTNFERQRRNN-PPSBMQLTSA-N 407.555 0.902 30 20 HCED Cc1nc(C)c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)o1 1835941938 HAWONHRZZDJBDV-UHFFFAOYSA-N 402.451 0.565 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(F)cn4)CCO3)C2)CC1 1836031493 XOMIXNLSSZWZRY-HXUWFJFHSA-N 402.426 0.523 30 20 HCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836862814 ACNLPTJWYMCVQB-UHFFFAOYSA-N 420.514 0.655 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1837396888 OGKYHRBJAHZXSY-LAUBAEHRSA-N 418.494 0.428 30 20 HCED 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C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)N=c1cc[nH]cc1 481279188 URTINGDELUSRSS-ZDUSSCGKSA-N 401.448 0.187 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481549363 XAXGDONYJKUMKO-IUODEOHRSA-N 410.521 0.605 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cc(F)c(F)cc2F)c1=O 487398403 KHTIQBZVXZMWRZ-NSHDSACASA-N 423.416 0.662 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC 490643835 LKGWYKIVFPCZKB-ZDUSSCGKSA-N 422.550 0.349 30 20 HCED Cc1cc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nn1CCC#N 501411577 XROKVFUFXDGNHO-OAHLLOKOSA-N 410.500 0.764 30 20 HCED CN(CC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1)S(=O)(=O)c1ccc(C#N)cc1 505088766 CZIYQRXSGUNLRA-MRXNPFEDSA-N 418.479 0.126 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 509412604 AKZAUCFEZOTKAX-AWEZNQCLSA-N 404.496 0.932 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)n1 512963901 KANBUZNNMPKOSY-UHFFFAOYSA-N 420.408 0.960 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 514654593 IMSSZDNTWCVEJH-UHFFFAOYSA-N 415.471 0.371 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 515470050 RJQMHZAASWIHLB-UHFFFAOYSA-N 410.455 0.169 30 20 HCED CCOc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N(C)C 517328763 OMMABXHMNDCBDF-ZDUSSCGKSA-N 410.452 0.025 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 518716286 LOVUERYYIMYKPJ-UHFFFAOYSA-N 411.531 0.601 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)CC1 522063279 RLPFDVABCSCJMM-UHFFFAOYSA-N 416.481 0.843 30 20 HCED CC(C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C(=O)NCCN(C)C 536167523 OZCQWNPDWSXOKP-AWEZNQCLSA-N 411.484 0.837 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)s1 537009630 ATQYYCCOLIYBCR-UHFFFAOYSA-N 424.508 0.734 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 540267397 XIAMUYMKRJMLRG-AWEZNQCLSA-N 416.482 0.546 30 20 HCED C=CCNC(=O)CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 542540009 VZSVJQPAKIWFCL-INIZCTEOSA-N 406.508 0.855 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 543011772 DJURPPSXBJAUTF-GFCCVEGCSA-N 407.839 0.639 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N=c2nc(Cc3ccc(F)cc3F)[nH]s2)C1=O 544472506 PMSONVYRBFDMGR-UHFFFAOYSA-N 421.385 0.744 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O 556083738 DTBPEYHIENDHJX-QZTJIDSGSA-N 423.535 0.651 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 556326397 GOJFZICOWLCUBI-HNNXBMFYSA-N 411.418 0.992 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)CC1 561414697 MHSGDSJNOHIGKM-UHFFFAOYSA-N 416.497 0.806 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 563829447 GVULURWUTNANNH-FQEVSTJZSA-N 413.522 0.429 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)C2=O)cc1 565098804 QTWBUBVXOKRNAF-UTKZUKDTSA-N 412.446 0.188 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 565919856 OEKCRIAFWDOMPT-IAGOWNOFSA-N 417.462 0.846 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 565980117 QJEAEGWOYBOJFJ-RVKKMQEKSA-N 409.450 1.395 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCCN(CC(=O)N3CCCC3)CC2)nc1 581155587 YTYXAFYJRQULNT-UHFFFAOYSA-N 405.524 0.357 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](c4nc(O)n[nH]4)C3)CC2)o1 581690098 WFMNXPWIZOCOQX-ZDUSSCGKSA-N 400.443 0.207 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)ccn1 583234444 KRCCWWWEIFKANY-SFHVURJKSA-N 423.429 0.784 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)sc2c1CCC2 588706719 DBGWFCOZCJEOCR-UHFFFAOYSA-N 402.436 0.632 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 589895685 VQHVWKANQNGRIK-QRWLVFNGSA-N 411.466 0.505 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 610608364 RZYOGRHEMSCPNO-RBZFPXEDSA-N 413.434 0.732 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@H]3CCOC3)CC2)CC1 611431440 IPZKLSRPJQYMEA-ROUUACIJSA-N 403.552 0.863 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 615255199 CQPQMFWVHXBWSG-UHFFFAOYSA-N 412.443 0.693 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@@](F)(C#N)C2)c1 615662247 ULOUKYMOAAUYGP-GOSISDBHSA-N 410.471 0.851 30 20 HCED N#Cc1cccc(CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 619590031 NLDPGQNRJREEPD-UHFFFAOYSA-N 421.523 0.441 30 20 HCED C=CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N(C)C)CC2)c(OC)c1 642102361 OSJVGQVFARFWID-QGZVFWFLSA-N 413.540 0.587 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 678689270 IGQOQIHVRXPJTM-ROUUACIJSA-N 415.494 0.990 30 20 HCED CC(=NNC(=S)NCC(N)=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 731929693 KBZQSTRLYNRKHX-UHFFFAOYSA-N 419.532 0.839 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(CC(F)(F)F)C1=O 732778357 DDASCDGMMQCNRE-NSHDSACASA-N 418.397 0.347 30 20 HCED C[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 733832767 ONGLDRWDIDWGSN-BBRMVZONSA-N 414.418 0.554 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2sc(C)nc2C)c1=O 736580899 CKZAGJIIFYYKHV-UHFFFAOYSA-N 404.517 0.411 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2CC(=O)NC)cn1 741449074 JMBLQQIOBDOBEC-AWEZNQCLSA-N 423.543 0.039 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1 741727680 UTISUYVHXAZBAQ-UHFFFAOYSA-N 412.431 0.835 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cccc(-c3nnnn3C)c2)c1 742028469 NJRQABAFOMQTLG-UHFFFAOYSA-N 410.459 0.800 30 20 HCED C[C@@H](CC(=O)NCCN1CCOC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 742610381 KTQPXSRFUCVMEG-AWEZNQCLSA-N 408.524 0.731 30 20 HCED COC(=O)c1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)sc(C)c1C 743917034 CSMILHGNISPYOW-YPKPFQOOSA-N 420.447 0.733 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccon2)cc1 747802258 ROYJJRROVGEGPI-RCCKNPSSSA-N 405.436 0.742 30 20 HCED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 749361017 NPDSFTWFRYKMEZ-UHFFFAOYSA-N 417.429 0.569 30 20 HCED CCS(=O)(=O)N(C)C1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 749729463 YXLFJLSYYKSYTH-UHFFFAOYSA-N 408.480 0.800 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCOC3)c2=O)cc1 749868369 HBAVECKOWNADRS-MRXNPFEDSA-N 411.483 0.998 30 20 HCED CCN(C(=O)CON=C(N)c1cccnc1N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 754278552 VEUMIZLABONXMG-OAHLLOKOSA-N 423.539 0.744 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CSCC(=O)N2CCOCC2)[C@H](C#N)C1 756896074 YUTFBGLXYFSUNS-ZIAGYGMSSA-N 412.512 0.454 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C3CCC3)s2)c1=O 760375040 ANYBHNJOJUXGHA-UHFFFAOYSA-N 416.528 0.533 30 20 HCED CCOC(=O)N1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 765349258 MBPPPGTZUHJZAK-AWEZNQCLSA-N 408.480 0.916 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1 769585482 MXQYZHSVQFBGCN-AWEZNQCLSA-N 401.510 0.434 30 20 HCED Cc1ccc(-c2ccc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)o2)cc1 771893172 XPZQCZJRDQMEAC-UHFFFAOYSA-N 402.432 0.965 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)c1 772792754 LSWQIQUCZUQNCG-NVXWUHKLSA-N 410.492 0.084 30 20 HCED C#CCCN1CCN(C(=O)[C@H]2CC(C)C[C@@H]2C(=O)N2CCN(CCC#C)CC2)CC1 775825922 HLDUVYQOJZTTMI-VXKWHMMOSA-N 412.578 0.984 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 775845400 JLFHLNKQNYUMIN-MSOLQXFVSA-N 423.558 0.904 30 20 HCED C[C@H](CC(=O)N1CCOC[C@H]1c1ncon1)/N=C1/NS(=O)(=O)c2ccccc21 778951707 LPKAXFTVRKSCQC-YPMHNXCESA-N 405.436 0.487 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCCNc3ccc(C#N)cn3)no2)cn1 780820209 FFGUUMLDRWHHRJ-OAHLLOKOSA-N 423.437 0.932 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 783329682 ARYKKFFUJAAART-UHFFFAOYSA-N 424.299 0.537 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1cccc(S(N)(=O)=O)c1 785524508 OFQVVYZHNDLSHG-GFCCVEGCSA-N 416.463 0.006 30 20 HCED CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787787730 ODYRMBMBAIEBCE-OAHLLOKOSA-N 400.483 0.636 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=S)NCCCN3CCOCC3)C2=O)cc1 792688083 IPWQVUOONBIWHL-SFHVURJKSA-N 401.536 0.846 30 20 HCED COC(=O)[C@H](C)[C@H](C)S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793224574 UNUQIFZTHWNQDZ-MNOVXSKESA-N 412.468 0.715 30 20 HCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@H](C#N)C2)(S(C)(=O)=O)CC1 796214221 YXQSARXWQUYEBL-CYBMUJFWSA-N 401.485 0.552 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CO)[C@H]1CCOC1 797763288 QPATYFOMGXOFSD-UXLLHSPISA-N 423.535 0.901 30 20 HCED N#Cc1cncc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 810046508 VPPWAMGVHMQHAO-UHFFFAOYSA-N 406.489 0.667 30 20 HCED CO[C@@H]1COC[C@H]1n1cc(COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)nn1 811087107 DYFZXMUKGIEIHZ-IAGOWNOFSA-N 416.438 0.992 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)c(Cl)c1 839369472 QAAOFRZENJKVNW-UHFFFAOYSA-N 417.853 0.674 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 915785150 OJYUOHSIVHDTQH-UHFFFAOYSA-N 424.417 0.023 30 20 HCED C=CCOCCCC(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1073559762 UEZIWNAVJATSMM-IYWGDAJJSA-N 403.523 0.748 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@H](c2cnn(C)c2)C1 1150584833 RMOPKGJZOQRYSQ-GUYCJALGSA-N 402.480 0.132 30 20 HCED CCN1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1251285987 PBGCXLBGNSBYBM-HNNXBMFYSA-N 405.480 0.195 30 20 HCED COC(=O)CN(C)CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1323348913 KGJMETCJWUUAIP-HNNXBMFYSA-N 424.523 0.361 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1nnnn1C 1337433815 IIMPQFBWCPXQQM-AAEUAGOBSA-N 405.484 0.685 30 20 HCED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CCN(CCc2ccccn2)CC1 1464737535 NEDMOGVSLWGQLR-UHFFFAOYSA-N 410.478 0.771 30 20 HCED N#C[C@@H]1CN(c2nnc(C3CC3)n2CCNS(=O)(=O)c2ccccc2)CCO1 1505322755 SXNOOUVMPRNHAI-OAHLLOKOSA-N 402.480 0.863 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 1535349601 IGQTXLJKDHGQDY-GOEBONIOSA-N 400.483 0.659 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)CCO1 1663847762 JBUSKQVYLUOFLC-HOTGVXAUSA-N 400.501 0.933 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705747983 ZAUNJNHTTFYVRD-GXTWGEPZSA-N 413.935 0.817 30 20 HCED CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNS(C)(=O)=O)CCOC1 1710418555 YRMXYZYAGBVQNY-CJNGLKHVSA-N 400.505 0.218 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749269073 MKDBHOFJYMLZAF-NEPJUHHUSA-N 400.892 0.147 30 20 HCED CC(C)NS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC#N 1751006424 UGMQAWYBVDQCAB-CQSZACIVSA-N 411.532 0.467 30 20 HCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 1760379297 NZSJVQXTABPHLU-UHFFFAOYSA-N 409.922 0.363 30 20 HCED CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N 1760688025 ZAEWOGNRFNSUNT-CQSZACIVSA-N 411.532 0.438 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1761215403 ILTFAILVVXEKTO-OAHLLOKOSA-N 408.528 0.981 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCSC1 1761502906 UCROWTIANVOCSC-XQQFMLRXSA-N 400.530 0.370 30 20 HCED CCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1765746526 XBUJWZMNGYLNKU-JKSUJKDBSA-N 410.544 0.641 30 20 HCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C1CC1 1767935301 WJBFUSSKCRIAEI-UHFFFAOYSA-N 424.509 0.934 30 20 HCED CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1771406157 NYEBRPKOHSLSLC-HNNXBMFYSA-N 421.571 0.972 30 20 HCED Cn1c(=O)n(C)c2cc(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)ccc21 1777865666 AESHTNSINKCLGJ-OAQYLSRUSA-N 411.462 0.624 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778670582 OIPYCPCMFMIIPE-MHRHTVJOSA-N 411.462 0.985 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779013187 DVYNLLMUWJYWQK-NOFJIUKJSA-N 417.510 0.146 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1779100654 FPAIFGYVBFFWMD-CTJWEORCSA-N 403.439 0.449 30 20 HCED Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(-n2nccn2)c1 1780246206 XFAWCMYPVSBJNZ-NRFANRHFSA-N 423.429 0.107 30 20 HCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2)n1cnnn1 1782610927 IGGNFOIRYWDICT-QMTMVMCOSA-N 401.471 0.442 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C(C)=O)CC3)CCO2)C1 1783108273 DDOLEISLJSQTQY-LAUBAEHRSA-N 406.527 0.193 30 20 HCED N#CC1(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2nc4ncccn4n2)C3)CCC1 1783127095 PKWZFAPNTUHNDI-QVKFZJNVSA-N 423.477 0.946 30 20 HCED CC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1783144576 RULPYTWMSOUBQC-LJQANCHMSA-N 404.854 0.791 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1Cl 1783163796 YHOZVZICHHOASO-XOBRGWDASA-N 416.865 0.791 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc(C)c(C)[nH]c1=O)CCO2)C(F)(F)F 1783202919 OBCSPFXKZMZIBC-KRWDZBQOSA-N 414.384 0.949 30 20 HCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783894883 QBFJSJWOFROANS-VLIAUNLRSA-N 416.503 0.928 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)n3[nH]cnc3n1)CCO2 1784197581 LPIPXNQGZRDHRR-FQEVSTJZSA-N 412.450 0.055 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)CC)[C@H]2C1 1784444062 DWWPBNZXILNVCV-WOYTXXSLSA-N 415.556 0.506 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1784447041 XACOLKCSCVJEJQ-LAUBAEHRSA-N 416.526 0.864 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnn(C)c3)C[C@@H]21 1784479936 MDYHJFZGIJKHNH-WNHJNPCNSA-N 402.495 0.371 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)n3)C[C@@H]21 1785014705 FSECUVHHCDWSPS-OBJOEFQTSA-N 408.480 0.400 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnn(C)c3)[C@H]2C1 1787012592 CKQKHIPEPLDWNM-CADBVGFASA-N 418.538 0.906 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(O)nc3O)[C@H]2C1 1787428290 UODHJLOPOVEUIC-BPUTZDHNSA-N 420.466 0.464 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C[C@@H]21 1788574959 PHWIRFZSQFZCPF-RBZZARIASA-N 419.566 0.879 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccnn3)C[C@@H]21 1788659053 STAIWBYAKJKQAO-RIUAQFLGSA-N 417.466 0.599 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1790830758 ZJPUVIZAAIGRMI-PYTWLRIVSA-N 402.451 0.980 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)C(F)(F)F)[C@H]2C1 1791312039 GBDZLKFQOQQFCQ-AVGNSLFASA-N 423.457 0.564 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1 1792527834 NQMGQWSZHXADHI-SCAQPMJSSA-N 423.485 0.948 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C2 1793346657 YVUYYBOYELQBRQ-LJGDNWOOSA-N 419.409 0.975 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1nnc(C)s1)C2 1793354974 VMYDVJQDSHJXLE-LJGDNWOOSA-N 408.524 0.960 30 20 HCED 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C[C@H](C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)N1C[C@@H]2C[C@H]2C1 1810163978 VXAMEWZZQPCXMY-DVZFXEOLSA-N 410.474 0.516 30 20 HCED C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc(S(C)(=O)=O)cn2)[C@@H]1c1cccnc1 1812525985 NZIVAJDKBSMNGS-DNVCBOLYSA-N 412.471 0.833 30 20 HCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)CCC#N)[C@@H]2c2cccnc2)c(=O)nc1O 1814038010 UYATYEVRNVPHDA-QFBILLFUSA-N 424.461 0.662 30 20 HCED O=C(C#CC1CC1)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1815118374 DYWHGWGQXCRYIT-QFBILLFUSA-N 401.467 0.466 30 20 HCED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CNCP(=O)(O)O)n[nH]1 1817232516 QKBDRRXYXCZRBA-LBPRGKRZSA-N 412.387 0.676 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817354111 XFGNIAQBTRJUQQ-GHJWDPDVSA-N 410.544 0.949 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1823081907 MLDJVHMJDOCHIV-GHMZBOCLSA-N 406.472 0.543 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(=N)N)CC1 1826892325 DSELHKZPEGMRJA-INIZCTEOSA-N 405.547 0.371 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(Cl)cnc3O)CCO2)C1 1829564120 QWNYCZLKXYYSAU-APPDUMDISA-N 415.899 0.829 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)N4CCN(C)CC4)C3)C2)C1 1829671010 QEBKKHAHXPKSGS-XMSQKQJNSA-N 420.554 0.045 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccs3)C2)C1 1831393423 LRHKOGOMAJQGDQ-JXFKEZNVSA-N 406.504 0.785 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1831414570 ZJTYZCBASCOLQS-WIYYLYMNSA-N 420.510 0.883 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnccn3)C2)C1 1832462260 HEUGDZRLJWNABS-FQEVSTJZSA-N 420.535 0.785 30 20 HCED Cc1noc(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1832561427 BTUGSSSSRVBHBB-NRFANRHFSA-N 416.478 0.984 30 20 HCED O=C1CC[C@H](C(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)CN1 1833118042 GSLGPFPSABVHPI-KRWDZBQOSA-N 400.523 0.498 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnn3C)CCO2)C1 1833223539 YKGMPUUZKSEKNC-FQEVSTJZSA-N 405.499 0.878 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834124658 GAAHDNBQJFJCEH-IIBYNOLFSA-N 417.462 0.199 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(=O)oc4)CCO3)C2)CCC1 1834599317 VNTIXWCEVULPKP-HXUWFJFHSA-N 401.419 0.404 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1834602922 YEQKGMWBVPRXSP-UHFFFAOYSA-N 414.466 0.664 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](O)c3ccccc3)CCO2)C1 1835285082 LIJQORZAFPYBTH-LAUBAEHRSA-N 401.463 0.726 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C(F)F)no4)C3)C2)CC1 1835342216 NLHIXBRJBNTAAE-GOSISDBHSA-N 410.377 0.986 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)C1 1835675440 RGSYDXZBAPJLRL-HMFYCAOWSA-N 418.538 0.771 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]nnc3C)CC2)CC1 1835712782 CTNOLRBZYKXULY-KRWDZBQOSA-N 418.542 0.871 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835998788 ASSVSTBFESRNNK-OAQYLSRUSA-N 401.463 0.108 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1nc(C)no1)CCO2 1836067723 NZMSEEDTFWXLTQ-FQEVSTJZSA-N 422.482 0.360 30 20 HCED C[C@@H]1CC[C@H](C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)O1 1837443319 FDNQSVNQDCBBND-RRGPEASQSA-N 422.526 0.482 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1837467342 GQJOCOBUAXRVBX-DNVCBOLYSA-N 412.556 0.139 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837869588 VGVHBFUQQFSXRZ-UHFFFAOYSA-N 418.494 0.355 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@H](COC)NC(C)=O)CC2)CC1 1838434585 BCOQTFTVLFZRAT-IBGZPJMESA-N 407.511 0.550 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838642332 CQKDTQZSKXOPOJ-UHFFFAOYSA-N 420.462 0.582 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3C[C@@]3(F)Cl)CC2)CC1 1838774115 MQSFPUVYEFNCGC-KDOFPFPSSA-N 400.834 0.998 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnnc4)C3)C2)cc1 1838950615 UEIONHBIUCMSQR-OAQYLSRUSA-N 407.430 0.732 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839122786 DCLHDGSRMWUSDV-AHRSYUTCSA-N 410.515 0.386 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)cc1 1839362165 AKPHEWKAXQGICG-QFIPXVFZSA-N 423.473 0.719 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccn5nccc45)CCO3)C2)CC1 1839538652 AOJJFHZQQPLUER-OAQYLSRUSA-N 409.446 0.708 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839645169 AEBDUCZDLNYIPJ-HWIYTKFHSA-N 409.483 0.074 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCN3C(=O)OC(C)(C)C)C2)C1 1839806769 XUWUPRQZVCZULI-MGPUTAFESA-N 407.467 0.085 30 20 HCED C/C=C(\C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1839820081 HNOVMOYLDLNTCQ-BZROMYQWSA-N 409.483 0.938 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1)C(F)(F)F 1839892843 CWMBOUMGLXLJJR-CXAGYDPISA-N 421.416 0.428 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840066623 KSWLXHSZLIZCRX-NVAXRVGSSA-N 421.473 0.696 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1840167439 PPUQYKRFBGGIFZ-LJQANCHMSA-N 406.508 0.907 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2ncn(C)n2)C1 1842355918 NVWUQEHCQHLJDR-CQSZACIVSA-N 416.482 0.549 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843357985 OVABWDPZXMGHIS-VTNJTDAWSA-N 405.411 0.234 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259789 GRXPVZOUBPSZSF-SVZNOHIVSA-N 423.514 0.505 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1847070459 YKADCNCTUVTMJZ-GJZGRUSLSA-N 418.494 0.385 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(CO)c(F)c1 1847265104 LZHINJFADMNQKG-SLXDBMQSSA-N 401.438 0.992 30 20 HCED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 24442650 NKXZFHGINIAEIF-UHFFFAOYSA-N 407.477 0.112 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 55218343 BJFYXEGCJXJJQL-UHFFFAOYSA-N 406.508 0.187 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 410317590 LTGWVDHYCHGSRH-ZDUSSCGKSA-N 418.479 0.621 30 20 HCED COCCCS(=O)(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 432035285 UNXRMZQKLLHDAF-SFHVURJKSA-N 406.508 0.647 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC1CCN(C(=O)c2ccccc2O)CC1 436498170 VDJJWVDJRRSFRF-UHFFFAOYSA-N 410.496 0.693 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1CN1CCNC1=O 438762605 HLZQNHGSXCYKTO-UHFFFAOYSA-N 400.483 0.844 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(OCCOC)c2)C1=O 440267319 LHCMLYYTQZKEOG-HNNXBMFYSA-N 405.451 0.904 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)ccc1OCC(F)(F)F 440267326 FYIHWHQFYDEJOC-NSHDSACASA-N 420.369 0.327 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCN(C)C(C)(C)C1 440994513 UJNMUNYULMUGGT-MRXNPFEDSA-N 400.531 0.594 30 20 HCED CC(C)(C)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1O 442405785 HOFGGKWBOSKYSV-SJORKVTESA-N 410.478 1.392 30 20 HCED Cc1cc2c(N3CCN(C(=O)C(=O)Nc4ccn(CCC#N)n4)CC3)ncnc2s1 445157448 JIDGOJKZZYQGKO-UHFFFAOYSA-N 424.490 1.397 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 446532796 RWZHTAMSXZJELB-UHFFFAOYSA-N 415.429 0.419 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 446556123 NNWITTNMTFROSN-CQSZACIVSA-N 409.464 0.558 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](C)S(C)(=O)=O 469503191 KPRGENXZMALUHK-KGLIPLIRSA-N 413.521 0.460 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCC(=O)Nc2cc(Cl)ccc2OC)C1=O 474726522 FRFAAWGBMDKALC-UHFFFAOYSA-N 422.825 0.770 30 20 HCED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1C 475238662 UXDXBXBHFXPKRW-CZUORRHYSA-N 410.434 0.794 30 20 HCED CC(C)N(CCCNC(=O)CS(=O)(=O)c1ccc(C#N)cc1F)S(C)(=O)=O 476046189 CKYZFOQFMPRFLN-UHFFFAOYSA-N 419.500 0.647 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(O)c([N+](=O)[O-])c3)CC2)cc1 484237615 RKPAXVNJZQVGIW-UHFFFAOYSA-N 417.403 0.714 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 486184110 MVYTWHMMSCIMQD-UHFFFAOYSA-N 404.448 0.933 30 20 HCED Cn1cc(CN2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 488259980 GRINJLIBTGFJBX-FQEVSTJZSA-N 421.505 0.920 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)C1=O 488390709 VOWFZTJYPAVSEO-UHFFFAOYSA-N 402.407 0.702 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)NCC)c2)CC1 491107160 QBZJYDCFWVLSIN-UHFFFAOYSA-N 416.482 0.213 30 20 HCED COCC1(C#N)CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 497443699 QKHYCWYZJIZKGG-UHFFFAOYSA-N 424.523 0.761 30 20 HCED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 506447086 HKUHIZKDDHUKGH-GFCCVEGCSA-N 421.866 0.981 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)n1 508314990 FCHPJIDOAPYXRF-UHFFFAOYSA-N 400.292 0.985 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1 513985116 KRIUDVQHRGNUOI-CKFHNAJUSA-N 417.491 0.465 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 514645046 INXDJFLOXBLDNK-UHFFFAOYSA-N 411.483 0.466 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)Nc2ncccc2OCCCC#N)n(C)c1=O 524275452 DELKCCZWVHRGHB-UHFFFAOYSA-N 411.422 0.540 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCCO1 536085663 NTXRBDGXCPVIRZ-INIZCTEOSA-N 424.482 0.749 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)C1=O 552661116 MGUQHQURHHOPSM-MAUKXSAKSA-N 400.479 0.635 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 556327597 QDQXLVXYHMZPND-QGZVFWFLSA-N 423.429 0.696 30 20 HCED CC(C)N1C(=O)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1(C)C 558526067 FTPLNUWRAIFUNT-UHFFFAOYSA-N 409.450 0.935 30 20 HCED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 558987279 ZHJCZLVQTFWJIE-UHFFFAOYSA-N 400.531 0.974 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1 559129293 GOHATTYTUNBGGS-MRXNPFEDSA-N 405.480 0.712 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccnc1OCC(F)F 577145963 PRSVPHISYQANBG-UHFFFAOYSA-N 421.408 0.610 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)nc1 579010656 BNTNWTQNBPFMRA-UHFFFAOYSA-N 406.446 0.352 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1S(N)(=O)=O 583588462 DPPYBQLEODVNTJ-UHFFFAOYSA-N 406.395 0.608 30 20 HCED CN1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587654468 OKOURRVCKQMZQE-MJGOQNOKSA-N 410.522 0.981 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c1 592065781 PBJKMJBOMXGKGG-UHFFFAOYSA-N 403.508 0.842 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2C)c1=O 603793058 JCNMIDPEGOBQBC-UHFFFAOYSA-N 401.513 0.828 30 20 HCED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OCCOC)c2)c1=O 603995272 WTWYHMNGFAMDGW-UHFFFAOYSA-N 415.515 0.983 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2CCN(CC#N)CC2)c(C)c1NS(C)(=O)=O 609196486 KOSKYEQAOHZZIC-UHFFFAOYSA-N 400.526 0.813 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CC(C)(C)O3)c(=O)n1C 609219959 PMQBMFXTGRKXRW-UHFFFAOYSA-N 413.499 0.426 30 20 HCED N#CCN1CCC(NC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 609340737 CADIYEKKUROSCC-MRXNPFEDSA-N 401.467 0.598 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(OCCCO)CC1 613104211 BAQBHXDXSDZWPI-UHFFFAOYSA-N 412.450 0.776 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)C1=O 624982746 JTHAICVTOBLTHL-UHFFFAOYSA-N 405.432 0.346 30 20 HCED C[C@@H](NC(=O)C1CCCC1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)C1CCCC1 681338234 ARRIHEQDDPOHLT-HZPDHXFCSA-N 418.538 0.612 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(F)(F)C[C@H]2CO)cc1 682340255 DJIICTFAPHJXQF-ZDUSSCGKSA-N 417.434 0.660 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2)CC1 728534373 KGPZVIRRHJJGMM-GOSISDBHSA-N 416.547 0.432 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)CC1 728589949 OEJFKPDZJKDXPJ-UHFFFAOYSA-N 411.455 0.058 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 732467924 YWXRFLNJWADWAM-FMQUCBEESA-N 423.477 0.688 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 735857853 UETCDUCYJXEHBE-JGWKNBOWSA-N 420.466 0.163 30 20 HCED C#CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 740487764 LYZMHXNBWGYWRB-UHFFFAOYSA-N 412.493 0.977 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCC 743728976 UDMFZBCJJUBOSO-UHFFFAOYSA-N 403.508 0.192 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 743913673 MEYLRTQMIGFEMX-UHFFFAOYSA-N 423.397 0.879 30 20 HCED COCCN(CCC#N)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 744405354 LFMGPNSZLLHZQG-UHFFFAOYSA-N 407.496 0.958 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(OCCN2CCCC2)CC1 744760793 XUXREDQABKUAQY-UHFFFAOYSA-N 420.535 0.829 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)CC1 747279280 UWFZCBWZEGXBPP-UHFFFAOYSA-N 421.519 0.536 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)c1 749742060 HZIMKBYAWXISSQ-MUIYUZFZSA-N 420.491 0.491 30 20 HCED C=C(C)[C@H](CC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)OCC 756471593 RTKDLUXHWRKBDQ-HOTGVXAUSA-N 402.513 0.232 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(=O)n(C)[nH]1 765391580 HEGLCAIDWKPGBC-LBPRGKRZSA-N 407.452 0.305 30 20 HCED CNC(=O)Cn1nc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C 768005481 SINZMWQQYYIUDO-NSHDSACASA-N 418.479 0.393 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1OC 768153551 ZAXSRJCQIKYJQL-CQSZACIVSA-N 402.432 0.882 30 20 HCED CC(Cc1ccc(C(F)(F)F)cc1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897732 QVEWQCDUMZQHNZ-UHFFFAOYSA-N 418.397 1.000 30 20 HCED CN1CCN(c2cc(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ncn2)CC1=O 775532989 KAOKMRXRVAINRB-KGLIPLIRSA-N 401.471 0.926 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 783452482 DBRIHKFAIHCPBU-UHFFFAOYSA-N 422.441 0.958 30 20 HCED Cc1nc(Cn2nnc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2C)no1 787518226 BNKLPLFRIUQSJH-OLZOCXBDSA-N 416.442 0.815 30 20 HCED Cc1cn(-c2ccc(F)cc2)nc1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 802081939 JQFQHPOSIQKPIS-OAHLLOKOSA-N 404.423 0.899 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)CCO1 802545483 IYAZVHJLAKCZPL-MRXNPFEDSA-N 400.439 0.326 30 20 HCED Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(C#N)n1 803551550 VEJHZRLKIMIVCO-CYBMUJFWSA-N 400.443 0.704 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 807357028 JKUYAFUMVXAGNM-UVARLRKDSA-N 413.434 0.895 30 20 HCED COc1cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc1NC(=O)OC(C)(C)C 807402786 MLPWQWMBBLLDEJ-UHFFFAOYSA-N 405.411 0.737 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)c1 813978799 JGIGVGMUOFTCOH-CVEARBPZSA-N 404.448 0.199 30 20 HCED CCCn1c(N)c(N(CCOC)C(=O)COc2cccc(C#N)c2)c(O)nc1=O 822317160 PLXGWSMWMIISFK-UHFFFAOYSA-N 401.423 0.871 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1CCOC 838281594 NRDCBEWFUAOOOO-UHFFFAOYSA-N 415.515 0.903 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(NC(N)=O)cc2)cc1 887572183 XZQSHJFAHFSHDH-UHFFFAOYSA-N 416.415 0.753 30 20 HCED CS(=O)(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1137128804 ZKHUNEMCULJLPT-KRWDZBQOSA-N 421.500 0.739 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1297312986 YERVZJVZJVELGW-MRXNPFEDSA-N 400.439 0.456 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCS(C)(=O)=O 1300845415 XQZAHSWGHYRMOG-JTQLQIEISA-N 406.306 0.619 30 20 HCED Cn1c(CC#N)nnc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1321067915 UHXRQYMLELUYKP-CHWSQXEVSA-N 413.525 0.168 30 20 HCED COCCn1cc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1322646075 YQEMOVDGJPOVJO-QGZVFWFLSA-N 410.434 0.923 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1323094052 QILXONIQTHLFOG-IBGZPJMESA-N 401.463 0.079 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)COC1 1360707858 MAMGJBGOUBXTGS-HIFRSBDPSA-N 423.543 0.101 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CC2CCS(=O)(=O)CC2)CCO1 1521129983 QARWKOSAJPIVFJ-HNNXBMFYSA-N 402.480 0.894 30 20 HCED CS(=O)(=O)c1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1525742619 OVMKZULLTAUZOS-UHFFFAOYSA-N 407.473 0.445 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)CC1 1657873920 VJKSPYOZOGBUAM-CYBMUJFWSA-N 409.468 0.862 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N2CC[C@@](O)(CC#N)C2)cc1 1680438209 FRIONDMVWBKOHD-SFHVURJKSA-N 409.464 0.334 30 20 HCED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1682416974 PMOAWYYXVUQBPC-SFHVURJKSA-N 405.524 0.809 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1712876057 LHSDNIULLCKDQZ-SGTLLEGYSA-N 401.402 0.694 30 20 HCED C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1723842996 DAEXZIWTFDRVQQ-INMHGKMJSA-N 421.571 0.307 30 20 HCED CCCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1745799463 WJRTYXATYYXECH-SFHVURJKSA-N 408.510 0.967 30 20 HCED CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1748229236 JJXGVZGSFYYUPK-UHFFFAOYSA-N 420.481 0.741 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](F)C1 1751237399 RGKTWEAPBOSBCM-RFQIPJPRSA-N 400.480 0.755 30 20 HCED 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N#Cc1cn(CCNC(=O)Nc2ccc(CCN3CCOCC3)cc2)c(=O)nc1O 1668246246 LXHBTLVEVSMONG-UHFFFAOYSA-N 412.450 0.517 30 20 HCED COC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1)OC 1730459118 GJKFCWORWJCIPI-UONOGXRCSA-N 414.532 0.680 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCOCC2)C1 1731181979 JILLRQCVIHSEFP-FQEVSTJZSA-N 413.457 0.988 30 20 HCED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1741196698 VQCPPGRATNUWHE-QGZVFWFLSA-N 415.542 0.902 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1750970952 ZKFNYXVWNIXUQJ-KBXCAEBGSA-N 407.544 0.582 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1765880304 QEGRXNBTUUXBRH-IPMKNSEASA-N 408.478 0.439 30 20 HCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)cc1 1768745424 WIBXYQXVZWBDOV-YLJYHZDGSA-N 415.450 0.746 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1779104722 GAJNOJAJQSKMBX-CYGOOPLXSA-N 422.438 0.139 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)nc(O)n2)CCO3)cc1 1780695372 DGPKCZWRAYIPEX-HXUWFJFHSA-N 409.402 0.517 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1780947129 GTUJATPMONKFHR-IERDGZPVSA-N 411.462 0.140 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C(=O)O)ncn3)CCO2)C1 1781391339 QTYVWHHAMHHOAE-DJJJIMSYSA-N 419.438 0.419 30 20 HCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781397215 UKWXGDWBMOGFPF-SICZQGKRSA-N 401.529 0.776 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3ccnc13)C2 1782010239 IRCGVHJVCLAXRU-IIBYNOLFSA-N 410.430 0.550 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4ccnn4c3)C2)C1 1782402256 OEJLHCHGTNAKIV-QJKPHDSHSA-N 423.473 0.636 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783118976 QZBVUROBNLUYHO-VLIAUNLRSA-N 404.467 0.299 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1783561472 STOVLFSMMBVEKG-OAQYLSRUSA-N 414.414 0.266 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccn(CCOC)n3)C[C@@H]21 1784482477 MZTZODQQEJFQFD-DWRORGKVSA-N 418.494 0.161 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1784504664 UYOQJPHVVFYXLP-UBDQQSCGSA-N 413.478 0.914 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)CCCn3cccc3)C2)C1 1784562640 ZZTIEAYYFHJXLP-KOIKXXGWSA-N 414.506 0.957 30 20 HCED CNCCCC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378799 QPJMJBKOWIIGQA-OAQYLSRUSA-N 400.479 0.767 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1789956049 WKGJQGSNKRELMM-QAETUUGQSA-N 408.499 0.389 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4cccc(F)c34)C[C@@H]21 1791077519 CUJGGHUPEZOENH-HUBLWGQQSA-N 414.393 0.383 30 20 HCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C[C@@H]21 1792171200 KWDAYHZNFHPKFK-NXOAAHMSSA-N 423.510 0.265 30 20 HCED O=C(CCN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1792311878 PBPJTASFQUERNZ-QFYWPPNZSA-N 419.570 0.924 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CCC3)C2 1793361482 OLKKUQNOPIGLTL-ZXFNITATSA-N 402.495 0.703 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3ncccc13)C2 1793820194 OFDVAQCLEUJMGQ-ZSBFGKGUSA-N 401.492 0.852 30 20 HCED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CC(=O)NC2=O)cc1 1794084374 OLPCUWIQWPRZGU-BJWYYQGGSA-N 409.446 0.291 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C 1794471563 WKOGDZSQXAOOIT-OAFZBRQQSA-N 400.479 0.389 30 20 HCED Cc1c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)cnn1C 1794891976 FNEKRMPTDPDWMN-ROHKSLLLSA-N 419.482 0.461 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795274697 LFAUNGCIFLSTDY-PHXBYCTMSA-N 418.515 0.308 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1C(F)F 1796699962 DDEZZDSUQZDPRP-XPCVCDNBSA-N 410.421 0.599 30 20 HCED O=C(/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2)NC1CC1 1797614029 SJHYKHLMQGDQHS-FCSVRRAJSA-N 414.462 0.123 30 20 HCED COc1ccnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)c1 1798104607 DWOFCGJHMGACDZ-KXJCPHRKSA-N 415.494 0.765 30 20 HCED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)ON=C(C)C)C3)n(C)n1 1798169709 BWVCFHJXCUDLGJ-ZXFNITATSA-N 405.499 0.987 30 20 HCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OCCCO)cc1 1798541687 XWMCVWBLVXWZCH-XEMDLRDOSA-N 401.463 0.955 30 20 HCED Cc1noc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(CC#N)cc2)n1 1799641892 RYDORVMGZFPDPN-XEMDLRDOSA-N 409.446 0.890 30 20 HCED COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)C1 1800964921 UHXPAVCIJHCYCS-VBRUWADQSA-N 402.491 0.969 30 20 HCED CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)ON=C(C)C)C2 1801029154 SAJFPDMSPATPHJ-RBZJEDDUSA-N 401.529 0.491 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nc[nH]c2C1 1801267968 CEDGLDZEFIOSKX-MXJLVENISA-N 416.522 0.677 30 20 HCED COC(=O)[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CC#N)C2)NC(=O)OC(C)(C)C 1802184830 CYZCLWZKLFLYIN-LXTVHRRPSA-N 422.482 0.995 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)COCCOC)[C@@H]1c1cccnc1 1803544999 ZWBMCCDJWFUDNN-YVWKXTFCSA-N 403.479 0.789 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1806634853 CCFZXZHKNLWTKW-DFEOGRTESA-N 414.506 0.939 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H](CNC(=O)C(=O)N(C)C)[C@@H]1c1cccnc1 1806943093 GPERASXDMIGGDE-AEFFLSMTSA-N 416.478 0.685 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814225974 HLTVGGTZVMMQEL-VYDXJSESSA-N 403.483 0.329 30 20 HCED CN[C@@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2)C(=O)O 1815081980 OHGLOMJOCAHANZ-GWCFXTLKSA-N 416.463 0.631 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815594855 GQTMCRGSRORWDJ-TZMCWYRMSA-N 418.454 0.545 30 20 HCED N#CC1(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)c3cc4n(n3)CCNC4=O)[nH]n2)CC1 1817110856 SBQVCESLQSWDNG-AWEZNQCLSA-N 422.449 0.959 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccn3c(O)nnc23)n[nH]1 1817968013 JFZFZABGZRXLOX-CYBMUJFWSA-N 423.389 0.552 30 20 HCED NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@@H]3CCCCO3)sc2C1 1819907543 PSNAYOXCNQMCHU-PKKHRWBISA-N 423.495 0.850 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](C)NC(C)=O)CC1 1823749044 DRXDJJLFWLEBAQ-BUFKOALHSA-N 418.538 0.989 30 20 HCED N#CCCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1826689654 OOGDINLNSVNXSB-MRXNPFEDSA-N 411.466 0.955 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCC([C@@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827197336 YUUIXKIVHOSGCH-OVBDPADQSA-N 416.530 0.765 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831175227 NQWYFNYFKUEYEO-OGWOLHLISA-N 415.556 0.312 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1831212857 BLMSHOHCVNALQT-NRFANRHFSA-N 409.446 0.213 30 20 HCED COc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)ccc1O 1831218090 LOISJZJBNQCCHH-JOCHJYFZSA-N 414.458 0.884 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3C)C2)C1 1831396265 IMNBCQIHBCVQML-IIBYNOLFSA-N 419.453 0.637 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1831419490 MMMCEXICQMKVCA-XMSQKQJNSA-N 423.554 0.766 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1831427688 XTLKMCWHYJFEMS-OXQOHEQNSA-N 404.467 0.446 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2)C(F)(F)F 1831736325 BQFDKQJGXSAQMU-INIZCTEOSA-N 416.356 0.371 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1C 1832088004 ILCXXVMBZWQWPX-OAQYLSRUSA-N 401.463 0.916 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)on1 1832570833 DYRZPEGXNKAENY-HXUWFJFHSA-N 413.434 0.496 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n1 1833083706 OEZFBZZPRCVOCH-QHCPKHFHSA-N 422.485 0.700 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1833706431 IZUMPGFBZCNISN-QGZVFWFLSA-N 408.568 0.756 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncccn3)CCO2)C1 1834293695 QRDVIVHDXGEGRI-YWZLYKJASA-N 404.467 0.120 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4)CCO3)C2)CCC1 1835380483 MCMAZTRYZSNKQV-NRFANRHFSA-N 404.511 0.623 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1 1835616934 LPBWGDGCVBXBIL-JXFKEZNVSA-N 412.531 0.632 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835695106 JOCCRMOSFLAYIL-UWJYYQICSA-N 400.479 0.752 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836981501 YBMMHGYYKOGPQS-IFXJQAMLSA-N 408.524 0.608 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1837393339 PLPIGDUEFLHVHP-LAUBAEHRSA-N 420.510 0.372 30 20 HCED CCC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837492795 ULXLYAXBASBIMV-NRFANRHFSA-N 406.479 0.121 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Cl)cc1)CCO2 1838960308 HGSUITOSEKAZMM-IBGZPJMESA-N 406.822 0.498 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1839225785 UBXGEKKXMZBJRI-YWZLYKJASA-N 419.482 0.656 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840020786 XBZFGDFTBMVGGH-KKSFZXQISA-N 401.463 0.328 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(Cl)cn3)C2)C1 1840160151 YFYNSFRRRQIDOL-BLLLJJGKSA-N 402.904 0.311 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CO)c(F)c4)CCO3)C2)CC1 1840782036 ALODXENPCYQHBP-OAQYLSRUSA-N 417.437 0.692 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1841746584 SNASTUQEXLVEQT-GJZGRUSLSA-N 420.510 0.938 30 20 HCED COC(=O)N(CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)Cc1ccccc1 1846197022 LKJJYAMYDNOFBG-UHFFFAOYSA-N 413.430 0.546 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCOC)C2 1847070534 YYEFGHHSYCVSCS-INIZCTEOSA-N 423.510 0.769 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccn2c(O)nnc12 1847261651 YGVUHHPOZAQBMY-LUNKNMTDSA-N 410.434 0.109 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2SCC#N)c1=O 7394548 MVPQVAYEGDLDCV-UHFFFAOYSA-N 413.459 0.798 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O 8224696 AFBDOXFLHBSOKX-UHFFFAOYSA-N 406.826 0.844 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)c1 24470961 ZIZMIEDJOBOXPM-UHFFFAOYSA-N 411.443 0.447 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCN(C)CC2)cc1 52658123 NZIIEHCVHBESNL-UHFFFAOYSA-N 401.511 0.683 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 56139834 JHVANKCUWCXZTI-CYBMUJFWSA-N 407.535 0.762 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccc(O)cc2)cc1 436910685 RCCFGNWJFBGFGT-UHFFFAOYSA-N 402.432 0.088 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CS(N)(=O)=O)CC1 439406619 GFSAMDUBIVKKFI-UHFFFAOYSA-N 424.479 0.049 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)nn1CCC#N 442476492 NBHQGPXVAQAORV-UHFFFAOYSA-N 404.434 1.386 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 443360026 KVKQQCDSQPOJTE-UHFFFAOYSA-N 404.857 0.598 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 445613884 SGMFAFGQFPUNJP-MRXNPFEDSA-N 412.494 1.491 30 20 HCED CCN(CCCNC(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)S(C)(=O)=O 462101748 KHVYIUDBDFWVFP-UHFFFAOYSA-N 405.484 1.241 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C#N 463802601 VJBABOWAAOVUEX-UHFFFAOYSA-N 402.411 0.299 30 20 HCED C[C@H]1CN(CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 469008347 ROQDUSZGTMPENS-OWCLPIDISA-N 408.524 0.793 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H](CO)O1 470925894 LLXCQFBOXVATKE-WCQYABFASA-N 403.826 0.944 30 20 HCED N#Cc1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(Br)c1 481146632 UBWSTIDYRJNTDB-CVEARBPZSA-N 414.325 0.596 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NCc1ccccc1 482108168 YMQWFSZTJGUGLB-OAHLLOKOSA-N 414.487 1.000 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CC1 482555213 HSDSKLYVZLJKGA-UHFFFAOYSA-N 412.496 0.540 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)cc2)c1N 483603385 SSBKZTQPWANBSQ-LJQANCHMSA-N 410.478 0.889 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)ccc2OC(F)F)c(=O)n1C 496750220 BQSRNMRLKKAGJF-UHFFFAOYSA-N 421.425 0.862 30 20 HCED COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC(C#N)(COC)CC2)c1 501432234 AJJOSJMSNVRWPI-UHFFFAOYSA-N 402.451 0.780 30 20 HCED N#Cc1cccc(-c2cnc(CNC(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)[nH]2)c1 501754119 SDHWECLFAKTJIU-ZWKOTPCHSA-N 409.446 0.971 30 20 HCED COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502374281 AEAQKIOWYNHIRE-MSOLQXFVSA-N 407.492 0.899 30 20 HCED COc1cccc(N2C[C@@H](NC(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2=O)c1 504444613 DZRIPWQNJRBGSE-AWEZNQCLSA-N 410.434 0.974 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cs1 509231779 HEGIEJOGOHMFEJ-LLVKDONJSA-N 407.543 0.237 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cccc(Br)c1C#N)C2 516640001 CNANUNHOCUCEFB-UHFFFAOYSA-N 405.256 0.787 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 524473993 ZWUMJPLUWONTPX-HNNXBMFYSA-N 411.505 0.670 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 524601524 QBEQWJKIQNCRON-HNNXBMFYSA-N 414.505 0.197 30 20 HCED C[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 532824464 XPZKCTYMUNNOKG-CYBMUJFWSA-N 413.521 0.508 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1C 536918959 AJFHUHPBVJFJDJ-UHFFFAOYSA-N 409.446 0.966 30 20 HCED N#C[C@H]1CSCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 538229020 FXLSLNAIOGLXFJ-LBPRGKRZSA-N 401.535 0.779 30 20 HCED C=CCN(C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1)[C@@H]1CCS(=O)(=O)C1 541757396 YFIRONBDYWUHFM-MRXNPFEDSA-N 421.523 0.676 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 550659216 MRIYJAFMIVUUCF-SFHVURJKSA-N 420.473 0.553 30 20 HCED C=CCSCCNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 550897057 WFFGSAOLNVOYTC-UHFFFAOYSA-N 404.536 0.726 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 553076670 XEWQKFHATZENBZ-UHFFFAOYSA-N 401.423 0.124 30 20 HCED C=CCOC[C@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1=O 557416172 AHMYHQZNBSZBKC-JKSUJKDBSA-N 416.482 0.405 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 561980634 ZLPZQBJJNCJJKZ-HNNXBMFYSA-N 422.457 0.478 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2sccc2C#N)cc1S(N)(=O)=O 567251267 BNOZLZDJIGIYFN-UHFFFAOYSA-N 408.461 0.573 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 576531814 MNRIOUVQKBSPKY-UHFFFAOYSA-N 409.446 0.999 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2cccs2)cc1 581637384 TURCNDZXXQKDSC-UHFFFAOYSA-N 406.489 0.834 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1CC(N)=O 584033138 DYRXDARNUUFWCN-SECBINFHSA-N 423.903 0.219 30 20 HCED COc1ccc(F)cc1CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588127464 ICBJQAVANLLXLW-UHFFFAOYSA-N 417.485 0.583 30 20 HCED CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 589119959 VWRXDFVRWJGHBW-MRXNPFEDSA-N 422.493 0.968 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1 589801105 NMUXSCFCPJUWLI-UHFFFAOYSA-N 410.496 0.531 30 20 HCED C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 604927945 JVCQREHMUUDZCR-MRXNPFEDSA-N 401.511 0.916 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 606092787 MMLZRNXDGZMKJQ-CQSZACIVSA-N 409.468 0.083 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)c1 609686691 UMJOBCYLTONDHN-LJQANCHMSA-N 413.526 0.191 30 20 HCED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 609992562 QMNFLYHKDQZMSU-UHFFFAOYSA-N 421.475 0.815 30 20 HCED N#C[C@@]1(F)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 615528710 GMFRJFAKLHOIFC-SFHVURJKSA-N 410.471 0.996 30 20 HCED CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)Oc2ccccc21 671998460 MBJNYTAMGRYZDU-INIZCTEOSA-N 405.432 0.649 30 20 HCED C#CCn1cnc(-c2ccccc2)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 726755812 XIWILOMMHYPIGN-UHFFFAOYSA-N 417.429 0.569 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 728531611 LSXBVENNAQKSAM-UHFFFAOYSA-N 416.869 0.842 30 20 HCED C[C@H]1Cc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2N1S(C)(=O)=O 731863432 WIKURFAYGZEPOT-LCIOQVQZSA-N 418.475 0.653 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 731886728 DESDQURSUTUOQG-ZPHPHTNESA-N 415.406 0.688 30 20 HCED C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 732467534 YZJZLXXSZRWYAQ-VJPSJVQPSA-N 405.499 0.796 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 737860047 MFXHSWIFGIQGMI-UHFFFAOYSA-N 418.269 0.838 30 20 HCED O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccc(C(=O)NO)cc1 746267761 AWUNEVQXRNCYGA-UHFFFAOYSA-N 400.347 0.756 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746529555 BNJIXJYOUKFZFE-UHFFFAOYSA-N 412.427 0.568 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)C1=O 748566947 HWXDGYBAXGSZIO-ZDUSSCGKSA-N 408.455 0.869 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 748814573 CLRFHDFCRMJGQN-UHFFFAOYSA-N 402.470 0.126 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([C@@H]3C[C@@H]3C)o2)c1=O 758056671 AEIWXTSXVIWFDF-GOEBONIOSA-N 423.494 0.621 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2F)c1=O 758068654 NMXMITSLTCAVNG-LBPRGKRZSA-N 417.437 0.475 30 20 HCED C[C@H](CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CN1CCN(C)CC1 758533716 FUTOAMRJBGOYOK-IXDOHACOSA-N 408.547 0.928 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2ccccc2COCCC)CC1 761036793 JPLSTDSFEVXFPQ-UHFFFAOYSA-N 422.551 0.315 30 20 HCED N#Cc1cccc([C@H]2CN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CCO2)c1 761330485 OORZCVRTCICEJX-QGZVFWFLSA-N 407.473 0.968 30 20 HCED CCCCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 766243994 PUAYXFUXIZFZDF-INIZCTEOSA-N 400.483 0.921 30 20 HCED N#CC1(C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)CCOCC1 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KDMOIKKHKBPQJT-SIKLNZKXSA-N 423.554 0.910 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1832451560 HJRFDMXIIWDAHN-LJQANCHMSA-N 408.476 0.629 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc(OC)n1)CCO2 1832831330 VCADVPFESMXEDQ-QFIPXVFZSA-N 415.490 0.893 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1833474175 YKPGIXYXNQZFHG-SFHVURJKSA-N 422.570 0.481 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833552252 OBMFXFUVOYWHPY-ACJLOTCBSA-N 411.842 0.436 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1833869281 HZTBQVCYAOUBCC-KKSFZXQISA-N 419.478 0.046 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc[n+]([O-])c3)CC2)CC1 1833906013 ALBPAJSMJNVZPP-KRWDZBQOSA-N 414.506 0.544 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(=O)n3O)CC2)CC1 1833963367 DHMMSGZEVAFBRU-CYBMUJFWSA-N 408.524 0.589 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833973478 PXARBWUHCLCKGK-QFIPXVFZSA-N 406.442 0.598 30 20 HCED Cc1ncoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834367173 LKTFYEOAKICNFW-SWHKHVPSSA-N 416.434 0.765 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCNC(=O)C4)CC3)CC2)CC1 1834603716 VSPDRCSLWFDYBB-HNNXBMFYSA-N 401.511 0.388 30 20 HCED CC(C)(C)c1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cn1 1834760331 JSWVKXTXNVCHLF-HXUWFJFHSA-N 401.467 0.758 30 20 HCED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834764875 FZNGRJRCLSUUMX-LJQANCHMSA-N 418.406 0.593 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1835362816 VDAVHVZPGZVFKT-LJQANCHMSA-N 416.413 0.242 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1837395089 OZOLDOHBOQOHHY-MGPUTAFESA-N 406.483 0.063 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837395304 WTVYJPWVQPXTRV-DYESRHJHSA-N 403.479 0.725 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837529671 AZYGHNPENQUXFD-SMYYLAQVSA-N 413.446 0.330 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Nc1ccccn1)CCO2 1837747892 YLRDBIFQILWUPI-VCBZYWHSSA-N 408.524 0.657 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967572 WSFASBOHPDYVRB-QGZVFWFLSA-N 420.514 0.245 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838216986 PFTJASIFKWGJPX-UZLBHIALSA-N 419.482 0.656 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838645643 ORMHSYBBYJCEKV-LPHOPBHVSA-N 409.508 0.812 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)nn1 1838753776 BNFCIIDOFTZNFP-IBGZPJMESA-N 404.471 0.407 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc5ncnn5c4)CCO3)C2)CC1 1839048376 UKXNQPILNROWHJ-NRFANRHFSA-N 424.461 0.032 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1N(C)C 1839114295 DALZXDNZSMQNIE-OAQYLSRUSA-N 416.478 0.745 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)cc1 1839360967 JTKZPBDGQFBDCJ-QFIPXVFZSA-N 411.458 0.802 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1839844685 RPYXQWJWUOGXPQ-MGPUTAFESA-N 406.483 0.711 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CNC(=O)C3)CCO2)C1 1839871014 VDJCYMCTJVOJLD-IIBYNOLFSA-N 407.511 0.571 30 20 HCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1839899423 XQZQQWXSSOWQBF-LJQANCHMSA-N 405.451 0.090 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cncc(O)c4)CCO3)C2)c1 1840062793 WRWJLKGSYJOJPB-HXUWFJFHSA-N 411.418 0.371 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)CCO2 1840143720 CBURAGSZPLVHER-SVMVAKDDSA-N 418.490 0.612 30 20 HCED COc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1O 1840157083 FDFNYNMVCPROKL-VBKZILBWSA-N 424.519 0.718 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840157914 DQIALUJTUZBHST-AUUYWEPGSA-N 419.507 0.206 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1840159075 WQPOMXZQSMMOLP-KSSFIOAISA-N 411.549 0.948 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(N(C)C)c3)C2)C1 1840840165 CJLQUWXDWFTIFX-NRFANRHFSA-N 400.479 0.631 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1840840837 PJXNISFDJKSJTQ-NRFANRHFSA-N 402.447 0.641 30 20 HCED C=CCSCC(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841884216 GHBHQTVDLLNHIQ-AWEZNQCLSA-N 403.508 0.718 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)c1 1841962323 JZWOXNPHSKVBCE-BBRMVZONSA-N 409.446 0.729 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cc(C)on1)C2 1845188605 LCWUAKFYDBAOFW-UHFFFAOYSA-N 418.450 0.426 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845229002 XMGBTFUADPOWTP-INIZCTEOSA-N 405.495 0.879 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2)C(F)(F)F 1846014801 AYNMDQCAOUASNX-UHFFFAOYSA-N 411.384 0.952 30 20 HCED CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197191 FBBWPDGZOOBNHU-CYBMUJFWSA-N 419.434 0.204 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 10673422 GPRCXNXWYYGSLR-NHCUHLMSSA-N 412.446 0.978 30 20 HCED C#CCNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 18282331 RYDRXFNGSDKJJA-UHFFFAOYSA-N 422.536 0.531 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)c4ccccc4)CC3)CC2)o1 31582963 RGPPEBHLCUGQKM-UHFFFAOYSA-N 422.489 0.961 30 20 HCED CN([C@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 409488343 VRHJTFCTWLVATO-OLZOCXBDSA-N 417.285 0.376 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(NC(=O)c3ccccn3)c2)CCO1 409585963 PKMXHPMKQMXTEJ-MRXNPFEDSA-N 401.448 0.893 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 431708884 LZVSTYFUYUHEDF-UHFFFAOYSA-N 417.447 0.467 30 20 HCED COc1cc(OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)ccc1C#N 436239549 HGGFZBNIOTZENI-UHFFFAOYSA-N 407.434 0.971 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 441004029 ZBCBXYAKWZMISG-NRFANRHFSA-N 422.485 0.571 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 447210525 YMCMLIUJVNDTCQ-PYTWLRIVSA-N 408.414 0.429 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CC2 466936284 PTMZHUPSUUDKIM-UONOGXRCSA-N 411.470 0.321 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)no1 466985127 IOBLZAIINNCJKF-UHFFFAOYSA-N 419.445 1.437 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 473379940 OKHLNFGEHXHUIO-SQNIBIBYSA-N 404.442 0.143 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCCS(C)(=O)=O 477287680 SLXDNSRJLVQWQI-ZDUSSCGKSA-N 401.510 0.556 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 484112816 JZQTZSGEEWQXAM-GOSISDBHSA-N 420.535 0.530 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486479042 BPFMFDDXNWEMPN-YLJYHZDGSA-N 412.538 0.984 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCCOC[C@H]3CCCO3)n2)cc1 490749420 BQUSUSLCYAAWCO-QGZVFWFLSA-N 412.450 0.838 30 20 HCED CC(C)c1noc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 501960576 ZWXAKZMNDGABKG-UHFFFAOYSA-N 419.463 0.977 30 20 HCED N#Cc1ccccc1CSCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 502918885 BTPBIWSNSSTFBN-SJORKVTESA-N 421.544 0.943 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCN3CCSCC3)C2=O)cc1 505516913 UYWHSEWASFECNH-MRXNPFEDSA-N 401.492 0.928 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H](C)[S@@]1=O 507754951 KGMWGPIFQWXTLU-OWVGSCJBSA-N 414.491 0.895 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)nc1 516094500 XRQBTRLVXLCPIT-UHFFFAOYSA-N 403.406 0.216 30 20 HCED N#Cc1c(CCCNC(=O)CCN2CCCS2(=O)=O)nn(-c2ccccc2)c1N 518182674 IUOFLBCYVCEHNW-UHFFFAOYSA-N 416.507 0.801 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 531814861 JOVQUDQTCQDULP-UHFFFAOYSA-N 424.507 0.391 30 20 HCED Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(C#N)c1C 533215850 AFVXRXMPIWVEOZ-CQSZACIVSA-N 417.466 0.098 30 20 HCED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541143804 MBLAXZLHGKHWBT-JTQLQIEISA-N 409.855 0.885 30 20 HCED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 550837006 KPACDWQHZQODNE-CYBMUJFWSA-N 419.507 0.709 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCS(=O)(=O)NC1CC1 553773932 SCZHAYLCMARBEG-UHFFFAOYSA-N 408.299 0.681 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c1 554967322 OWOFKSHGZRTOLO-UHFFFAOYSA-N 413.415 0.531 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 562135602 APRRROSDWDGFCD-LBPRGKRZSA-N 404.370 0.116 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)CC2)c(F)c1 565443175 IVLHNSNAYNCKFE-IIBYNOLFSA-N 416.453 0.800 30 20 HCED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 565884602 KHQVTVPFPQSIKW-UHFFFAOYSA-N 404.492 0.332 30 20 HCED Cc1nsc(N2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 570366909 JGSMKUBSYXKBFI-UHFFFAOYSA-N 420.520 0.731 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@H]2C1 572533645 RYBOGMILDORFOD-JYJNAYRXSA-N 421.461 0.841 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1ccccc1 575827791 WALZWLXEWCBITF-SUMWQHHRSA-N 423.477 0.565 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 579414497 OCBDJZPRSHISEL-INIZCTEOSA-N 422.493 0.316 30 20 HCED CCC1(CC)[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@@H]1OC 581481034 MGPKDOFVFLFCBI-IRXDYDNUSA-N 416.526 0.959 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 582812894 BARRCCUYSMGFFM-ZDUSSCGKSA-N 401.419 0.897 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 589776236 VBCIMIGKFOFBBC-UHFFFAOYSA-N 413.499 0.609 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 603795533 YMIYMFQSMLKDFH-UHFFFAOYSA-N 419.453 0.960 30 20 HCED Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1=O 604454742 WWUHRWQIFULPBQ-UHFFFAOYSA-N 401.448 0.795 30 20 HCED COCCOc1ccc(F)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 609001700 MIHFMXSHJIQXBR-UHFFFAOYSA-N 404.402 0.715 30 20 HCED CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609055217 WHBSRAUSARHDEY-OAHLLOKOSA-N 422.532 0.703 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 609598926 HGLVKKWJOIDRKG-MRXNPFEDSA-N 406.512 0.645 30 20 HCED CN(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 610570105 WWXLEHAHGUIWPS-CQSZACIVSA-N 421.928 0.794 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC[C@](C)(C#N)C2)c(O)nc1=O 612165566 MIRZTFGYIWGRGG-HXUWFJFHSA-N 420.514 0.936 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)cn1 619838057 IQAMUSYWBKGBJY-UHFFFAOYSA-N 418.841 0.426 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccccc2OCC)C1=O 726043002 IPWJULGOZPPBLP-LBPRGKRZSA-N 403.391 0.932 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)COc2ccc3c(C)cc(=O)oc3c2)CC1 733149714 PGRQQUXJGQYUMY-UHFFFAOYSA-N 411.458 0.764 30 20 HCED CCN1CCN([C@H](C)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733159795 WUZSQWTYVCBIGR-OAHLLOKOSA-N 407.540 0.257 30 20 HCED C#CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CC1 733162342 MCMNOBFFBCYYNE-UHFFFAOYSA-N 423.535 0.361 30 20 HCED COCCS(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 733634401 TWCQLWQWQXMMTI-WUKNDPDISA-N 422.463 0.755 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc2c(cc1Cl)OCO2 737306713 OMQDQXPEFLPQHU-CCEZHUSRSA-N 406.782 0.650 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2(O)CCC2)CC1 740226815 FIWXZWJWAQPJIQ-UHFFFAOYSA-N 400.391 0.913 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)ccc1F 744624085 CPMQUVLJAVPBSN-XIKOKIGWSA-N 424.454 0.398 30 20 HCED N#Cc1cccc(CNC(=O)CS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 746509724 SATUKCGTBOLYQS-UHFFFAOYSA-N 411.439 0.885 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)OC)cc2)CC1 747991618 LDAFUGLJZSQZJN-UHFFFAOYSA-N 401.419 0.165 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CO)C2)cc1 749664565 VTDDACVQXMQZHE-HGNXGAGXSA-N 422.507 0.669 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1C#N 752393330 FWVNWCFWDDEVET-NSHDSACASA-N 410.452 0.957 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C#N)C1 754388545 ZRFOGKOYDPRJDS-CMTMBAJVSA-N 403.439 0.874 30 20 HCED C[C@H](CCCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 756325121 CJMNHROILWQINZ-IQQDNESTSA-N 410.496 0.715 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1nnc(-c2ccc(C#N)cc2)o1 756758703 RYNKTHBNSCGJQU-LLVKDONJSA-N 416.419 0.752 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 757593714 XXVWVONNWOJONF-BXUZGUMPSA-N 411.484 0.754 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)nn1 761077695 IAKLUVZMSJDJNI-LBPRGKRZSA-N 416.369 0.518 30 20 HCED O=C(C[C@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccco1 763005650 HKZDGWQLRQKAGM-ZDUSSCGKSA-N 417.443 0.819 30 20 HCED Cc1nn(C)c(C)c1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767634970 GDHXESWXRHKKPX-LBPRGKRZSA-N 419.463 0.757 30 20 HCED COc1ccc(OC)c([C@@H](O)CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c1 768014921 CCQIHQCNQHMUOL-HNNXBMFYSA-N 401.423 0.911 30 20 HCED N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 768113985 WRZDXBRYWFZKHV-LJQANCHMSA-N 406.442 0.944 30 20 HCED C/C=C/C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 770801675 LLGWLXCCAQEYCQ-MDLHYDQYSA-N 422.507 0.881 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1)c1cc[nH]n1 772201017 OUAGKDHOJJLOCM-UHFFFAOYSA-N 418.454 0.643 30 20 HCED C[C@H](O)c1ncc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 773054987 TXZAFTPOBADNSE-LBPRGKRZSA-N 410.525 0.974 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 773228643 CVFLLIWUQPDDFT-UHFFFAOYSA-N 422.507 0.368 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCCO1 773555729 HPLIAAACPJDQPY-IRXDYDNUSA-N 422.463 0.792 30 20 HCED CC(=NNCC(C)(C)S(C)(=O)=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 774481962 IOPQNQWGZMTQBJ-UHFFFAOYSA-N 417.553 0.844 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 781603232 TXCOCSBTWYQPSI-UHFFFAOYSA-N 406.351 0.840 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 783482137 VENSNZCRMFJLAN-LSDHHAIUSA-N 406.460 0.442 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 787256028 LGXYNNUJCDEXEA-UHFFFAOYSA-N 416.445 0.499 30 20 HCED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787645085 SPRIBHVAOWFQLU-CHWSQXEVSA-N 409.464 0.453 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 794645810 CQIMDJVDTZAKSU-HNNXBMFYSA-N 410.499 0.392 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1)C(=O)OC 797761910 KPUMWPWDSDOVKH-CQSZACIVSA-N 402.444 0.986 30 20 HCED O=C1N[C@H]2CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2CO1 799034210 NXFXXTYSEIVUNH-OCCSQVGLSA-N 406.464 0.462 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 803302425 OCQYCUMWHIIXHX-VQIMIIECSA-N 414.506 0.946 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)ccnc1-2 806855703 VUEQFZAUELQPNQ-UHFFFAOYSA-N 407.409 0.640 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(C)(C)C 807534747 YAIPKSYECJKOMR-IJEWVQPXSA-N 403.483 0.622 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C#N)cc1 810200518 FVHVEBHYVXOWFU-UHFFFAOYSA-N 416.463 0.418 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)nc1 810389483 GZQCSAGFWKZZRX-UHFFFAOYSA-N 403.345 0.951 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1COc2ccccc2[C@@H]1O 811577686 XENIBVORSQYRON-IWEFOYFVSA-N 401.444 0.836 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC)C1 812156145 KRPJCMOXMWGZOX-MRXNPFEDSA-N 404.496 0.981 30 20 HCED CCn1ncn(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 816738193 UJVDSGKURQGAAY-UHFFFAOYSA-N 404.452 0.107 30 20 HCED CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)Cn3cnc(C#N)n3)ccc21 817593928 QLPSSJCIMAJFJQ-UHFFFAOYSA-N 404.333 0.790 30 20 HCED CC(C)OCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 914811466 OGQKMLCFDSFAJO-UHFFFAOYSA-N 423.491 0.749 30 20 HCED CCCCCCNC(=O)[C@@H](C#N)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 916875649 GMJUPPYKRFVQEU-KBPBESRZSA-N 410.496 0.557 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 916875813 UHNGLAWUJBDVCW-ZFWWWQNUSA-N 401.419 0.672 30 20 HCED CNC(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918475717 CDDQAYZDKFYJPP-JCMHNJIXSA-N 423.495 0.080 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 918648279 ZTALONSHAOETJW-UHFFFAOYSA-N 406.354 0.927 30 20 HCED N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 919814836 DRNGWFMCRFIXFO-UHFFFAOYSA-N 418.431 0.428 30 20 HCED CN(C)CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1116255549 COYDPMDQZZWZKY-WMZOPIPTSA-N 418.519 0.488 30 20 HCED CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CN(Cc2ccccc2)CCO1 1137269008 YGEWLLUARQZXTA-ROUUACIJSA-N 411.462 0.616 30 20 HCED CN1CCN(CC2(C)CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1138118753 KREDWVNWDXAZAO-UHFFFAOYSA-N 402.499 0.087 30 20 HCED Cc1n[nH]cc1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1289161822 QHVKQOHATWZWND-CXAGYDPISA-N 424.506 0.995 30 20 HCED Cc1noc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1290936853 JJAHVKITEHVBOW-KGLIPLIRSA-N 406.468 0.562 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)CN2CCN(c3ccc(F)cc3C#N)CC2)CC1 1308008884 UBWPZOYMEUMADQ-UHFFFAOYSA-N 423.514 0.360 30 20 HCED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1313556220 MCIALPDTEPDNOB-HNNXBMFYSA-N 408.528 0.789 30 20 HCED C[C@H](CC(=O)N[C@@H](CO)CN1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1467947020 VDIJLMUQCCRHSW-HUUCEWRRSA-N 408.524 0.467 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2COc3cc(F)c(Br)cc32)c(=O)nc1O 1556351362 XMHXJZZAAVODMO-NSHDSACASA-N 409.171 0.972 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3ccc(Br)c(C#N)n3)n(C)c2n(C)c1=O 1585750139 LAISOIKNBIXYRU-UHFFFAOYSA-N 417.223 0.857 30 20 HCED N#Cc1ccn(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c1 1641286205 MKPKCZDNYHKVCS-UHFFFAOYSA-N 416.459 0.057 30 20 HCED N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1=O 1657904413 QEZBMLLBNVISTH-CVEARBPZSA-N 424.548 0.851 30 20 HCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)cc1 1697493424 MNRONFHLALLOGM-INIZCTEOSA-N 421.479 0.639 30 20 HCED C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1740810133 ZQYUPQOFZUWGCX-UHFFFAOYSA-N 409.903 0.927 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)CC1 1741941142 QAIIQFHBJPGGDY-DZGCQCFKSA-N 407.544 0.865 30 20 HCED Cc1nnsc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761632616 VQVBBJYUUSLTNF-CQSZACIVSA-N 415.527 0.801 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778898891 YJOXCZBFYULTLE-LRDDRELGSA-N 423.388 0.723 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779017185 DGIDMXMHVLJKJB-BTUAIKHXSA-N 407.515 0.155 30 20 HCED C[C@@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1779134799 PPOPVJHBGQKBJJ-BRIKJVELSA-N 417.384 0.842 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1n[nH]cc1[N+](=O)[O-])CCO2 1779139158 PMDCUPYVTDQQKC-POKCZJJJSA-N 416.394 0.474 30 20 HCED CN1CCC[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1780999207 JEAAOXLVUIXUNS-FHMMEVJKSA-N 402.495 0.870 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295304 LPDSTTONJDQHPM-SPLOXXLWSA-N 416.453 0.581 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1781397747 GHRZMOZNWKRJPL-LIRRHRJNSA-N 421.454 0.192 30 20 HCED COc1cc(C)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1781925105 IEUSURSBHITHOH-NRFANRHFSA-N 400.431 0.844 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)CC(C)=O)C1 1782137855 JBYIFTXJKIGUTL-HMRQSWEHSA-N 419.522 0.974 30 20 HCED COc1ccccc1CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557457 HNRFUUWYUUNWST-NRFANRHFSA-N 400.431 0.546 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)n4cnnn4)C3)C2)c1 1784601062 BKUORJTXUDXWIJ-FOIQADDNSA-N 409.450 0.558 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)C=CC3=O)[C@H]2C1 1784805879 XOBMVRMHCKKVFQ-QZWWFDLISA-N 403.479 0.493 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1785016230 UWDABRSCGRXAKG-XIRDDKMYSA-N 418.519 0.919 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1788573424 XRLURCFHQVPPGN-QXRTWZOPSA-N 403.479 0.954 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1788575781 DZPOHUTUGKCMSL-XLAORIBOSA-N 404.511 0.515 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2C1 1791397036 PPANBYMYEUTQGL-IHRRRGAJSA-N 411.405 0.103 30 20 HCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COCCO)C3)cc1 1792423581 BJDUUXNVKDWAFJ-RMFSNUHRSA-N 401.463 0.089 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC[C@H]1CCOC1)C2 1792491269 GBQIEVMUGKQGEI-VHPSYPLNSA-N 405.495 0.251 30 20 HCED Cc1nc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ccc(C#N)cc2)no1 1792558717 LVBDYUIVKSWMFE-UPHUGPLXSA-N 409.446 0.625 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)C#N 1792635054 LYLWSBPLAKJGMW-COSZLBEHSA-N 414.462 0.896 30 20 HCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2 1793257025 OKCSZRWUOBEYKZ-PTEHBNRSSA-N 406.332 0.345 30 20 HCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1793568861 NILJIDYSSSZYID-SOGIYBJLSA-N 408.451 0.158 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1CC1)C2)[C@@H]1CC(=O)N(C2CCCC2)C1 1793775057 AUQNUVFAYMYIII-QSNWEANLSA-N 413.518 0.781 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(F)c(C)nn1C 1794495306 GZEPKHUOHABPNK-HLPPOEQASA-N 408.474 0.644 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnc2)c1 1794870372 NEYBSOFMKUPTSZ-XEMDLRDOSA-N 409.446 0.667 30 20 HCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCOCC2)c1 1795441044 BDDSLLNQNBXXCX-CWPLJXCYSA-N 416.453 0.233 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](N)c1ccccn1 1795613601 XOEWHUHJTFGLLQ-WTLGNFPFSA-N 416.478 0.180 30 20 HCED COc1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797739150 XEFHRQMBAPULRQ-WRGDSQCOSA-N 415.494 0.765 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1C[C@@]1(F)Cl)C2 1797742905 JJZSVTRPISTMIL-DGEYADFVSA-N 400.882 0.972 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1 1797744435 NKAFOUUTDSEJEN-FPOVZSSWSA-N 416.526 0.630 30 20 HCED Cn1cnc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)c1 1797781587 SPSUEBDGYZEPKO-HGKCTWBKSA-N 400.479 0.322 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798097625 DECRMWSARIAYFL-DRXBFXEBSA-N 406.464 0.297 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1799369718 JPEGRFVXSWYUIV-NYUBLWNDSA-N 410.474 0.311 30 20 HCED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc4n(n2)CCNC4=O)C3)c1 1799418732 XIUWUOYEHWBWRQ-BTTYYORXSA-N 407.434 0.392 30 20 HCED N#Cc1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C(O)O)C3)ccc1Br 1800631590 TVRXAKMGDIHZFK-CLLJXQQHSA-N 408.252 0.883 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354413 DUWARPSGVFHLFH-LVQVYYBASA-N 416.434 0.433 30 20 HCED Cc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CCC2)nc2nccn12 1801984781 KFFBFOKGASXFIJ-SCAQPMJSSA-N 408.462 0.935 30 20 HCED C#CC(=O)NC[C@H]1CCN(C(=O)c2cncc(S(C)(=O)=O)c2)[C@@H]1c1cccnc1 1812524979 HFYNKGWVHSWXSJ-DNVCBOLYSA-N 412.471 0.833 30 20 HCED Cc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1F 1812874984 PWNJFDWLBGJJQS-KDOFPFPSSA-N 413.409 0.670 30 20 HCED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@@H]3NC(=O)NC3=O)[nH]n2)C1 1814392385 KIJFTJGRERIISB-UONOGXRCSA-N 400.439 0.966 30 20 HCED C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(C)C(=O)C(=O)O)[nH]n1 1815218793 SYLIQITVUBIOON-OCCSQVGLSA-N 421.454 0.536 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817251055 ZIEPHKXQLYIEIV-KCQAQPDRSA-N 421.502 0.796 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)C#CC3(O)CCCCC3)sc2C1 1819850468 SASFOHURZLLYIU-CYBMUJFWSA-N 415.471 0.842 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1820969369 OGIFNDHONAIILX-IPYPFGDCSA-N 421.502 0.796 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826821428 ALMVVHZFFHVIFC-KSZLIROESA-N 422.570 0.772 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4ccccc34)C2)C1 1830056763 RUEDESYUHMEYQE-NRFANRHFSA-N 411.462 0.954 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830628894 AJJIHFBAINMBCJ-OXQOHEQNSA-N 404.467 0.363 30 20 HCED C[C@H](Cn1cccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831210061 YEHPPYHKBZVVRT-DYESRHJHSA-N 400.479 0.389 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)nc3C)CCO2)C1 1831877079 SEIAGNVMOXPXPK-UZLBHIALSA-N 421.498 0.599 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1832166879 SSQCETRYACQZHT-IRXDYDNUSA-N 406.401 0.560 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)n4cnnn4)CC3)CC2)C1 1833050862 PKTIDTILIKDYQI-HNNXBMFYSA-N 401.515 0.772 30 20 HCED N#Cc1cc(CC(=O)N2CCC(N3CCC(NC(=O)C(O)O)CC3)CC2)ccc1F 1833224024 QXPDIAWYLGJZQW-UHFFFAOYSA-N 418.469 0.122 30 20 HCED Cc1cc[nH]c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1833542309 VUOVWNCKLOTGEI-NRFANRHFSA-N 417.510 0.675 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833761129 FBQHZMRSEQPGKX-IIBYNOLFSA-N 419.478 0.751 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3ncccn3)CC2)CC1 1833877164 YQDAXDXSOYBSIW-QGZVFWFLSA-N 413.522 0.629 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1N(C)C 1834765968 OZWGIQLJAYHGGT-NRFANRHFSA-N 416.478 0.745 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346574 HHNDFKUOBHXFKQ-HXUWFJFHSA-N 422.482 0.271 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835965276 WNOSBUUWKFQYJZ-QGZVFWFLSA-N 419.526 0.874 30 20 HCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837737781 GEJBEOVITGQPMV-JTSKRJEESA-N 412.490 0.752 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839266 CEIXTHQYNVMVII-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnn3)CCO2)C1 1837874615 NOCSKHYHDRWEKB-JXFKEZNVSA-N 404.467 0.120 30 20 HCED CN1CCC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838733230 UNOYXNBFJQIWTP-NRFANRHFSA-N 415.494 0.298 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5n(n4)CCC5)C3)C2)c1 1838737495 VSUUGDWAMMSEDG-OAQYLSRUSA-N 424.461 0.413 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838832556 SLLINQMAMDGWKB-OAQYLSRUSA-N 416.478 0.749 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838835521 LXGYRMRIPNWRLZ-QRWLVFNGSA-N 406.483 0.711 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN(C)C3)CCO2)C1 1839066363 JDTQTAQIAPODOJ-KGVIQGDOSA-N 423.554 0.358 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1839224618 NBGRSKAQCXNZIA-VQIMIIECSA-N 407.471 0.140 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839435760 BOBIRGYMHKMQPT-FQEVSTJZSA-N 410.434 0.251 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3c1OCCC3)CCO2 1839519625 YGFAOTZBFFLUKI-FQEVSTJZSA-N 402.451 0.149 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591255 OAQKTIVLJGYZJN-HXUWFJFHSA-N 415.425 0.847 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840167961 YGAUFLPQTUEHMX-OAQYLSRUSA-N 411.462 0.831 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)cc1)CCO2 1840278938 ICXIPVLBULHWIW-OAQYLSRUSA-N 400.431 0.105 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323533 MPCCHAREMPZRMG-PKOBYXMFSA-N 410.540 0.753 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1cccnc1)CCO2 1840455455 PDMJMDKCSILISL-UWJYYQICSA-N 401.463 0.719 30 20 HCED Cc1ncc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1840519617 PAJUVTJOSLAADK-PHXNAMCJSA-N 419.459 0.009 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)c4ccco4)C3)C2)CCC1 1840813199 MENJZSYXINWPDI-FQEVSTJZSA-N 401.419 0.613 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2nc[nH]n2)C1 1843191265 VBIPIFUHKUJIMS-ZDUSSCGKSA-N 402.455 0.538 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]nnc4n3)C2)c1 1843235185 IIKRDDRMSKVINT-UHFFFAOYSA-N 418.417 0.124 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845109234 LNURDAWQEIHYKV-HZPDHXFCSA-N 405.495 0.831 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)ccc1F 1846460942 WRNLTEVSJUGCRY-UHFFFAOYSA-N 410.405 0.368 30 20 HCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C 1847445191 FDYPVOREHXDOKZ-GODCIGNGSA-N 411.524 0.483 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 45881266 IKOHJKVLQRNLLG-UHFFFAOYSA-N 403.420 0.326 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc1 54369163 PPQZYTVBSUBHCO-UHFFFAOYSA-N 407.477 0.112 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/C[C@H]2CCC[C@H]2NS(C)(=O)=O)CC1 304996705 FYVKUEHQEHTRGN-ZIAGYGMSSA-N 403.549 0.572 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 409511546 QFUNVFWWEIQMMV-OCCSQVGLSA-N 409.472 0.570 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CSCC(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410121019 RPQSAKNJCXSNSE-HZPDHXFCSA-N 422.551 0.210 30 20 HCED C=CCN1CC[C@@H](N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)C1=O 410307847 SEHDAAITVJGQCI-MRXNPFEDSA-N 408.480 0.907 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CCN1c1nccn2cnnc12 433911141 XWIAOSRWOIBAHV-GFCCVEGCSA-N 408.397 0.811 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435476271 CVUJCIDNWAHBJG-UHFFFAOYSA-N 401.467 0.564 30 20 HCED N#C[C@@H]1N(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CCC[C@@]12CCCCO2 447901779 CTRBYEUVOCCXHA-HBFSDRIKSA-N 424.567 0.245 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 470949484 WTSLPTORTDRVCP-ZWKOTPCHSA-N 404.492 0.845 30 20 HCED N#Cc1ccc(Cl)c(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)c1 476310070 NGSMRURRGUTQPL-UHFFFAOYSA-N 404.857 0.598 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCN(CC#N)C2)cc1 479882850 GQGMQMSDBGCBDZ-GOEBONIOSA-N 406.508 0.908 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccnn3CC)C2=O)CC1 480131722 DUIQGRJLPOWNKD-MRXNPFEDSA-N 417.514 0.028 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nncn2C)CC1 480177417 HPHLSVTVFCDFJT-CYBMUJFWSA-N 402.480 0.760 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 480690763 TXVIEYVDHNGLLC-HNNXBMFYSA-N 424.486 0.841 30 20 HCED CN(CC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 497361601 ITMBSHYSVKKSCK-DOTOQJQBSA-N 404.492 0.696 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)nn1-c1cccc(C#N)c1 502961647 SGGBVKXUZUHDMC-UHFFFAOYSA-N 422.489 0.669 30 20 HCED C[C@H]1CCc2c(sc(NC(=O)CCN3CCN(S(N)(=O)=O)CC3)c2C#N)C1 506116973 CJSRADNTFWXMIR-LBPRGKRZSA-N 411.553 0.894 30 20 HCED CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508358580 MBWOLGKROFNQRU-UHFFFAOYSA-N 406.830 0.973 30 20 HCED CN(C)CCN1C[C@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 510384968 QBXUPQOEXZCXQD-MRXNPFEDSA-N 423.521 0.785 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 519812084 IRDHTLKDIIEAQL-UHFFFAOYSA-N 413.413 0.318 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H](C#N)C1 520691174 DLDUKNJDGMOYHT-OCCSQVGLSA-N 401.485 0.977 30 20 HCED COC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(OC)c1 525955508 WZRQWYKKQGAJCK-UHFFFAOYSA-N 421.435 0.714 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccccc2C)c1=O 527277474 RBLAAGTVCAUBDY-UHFFFAOYSA-N 405.483 0.839 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 527279868 LPMSNCNSLQZVJH-HNNXBMFYSA-N 411.483 0.202 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 533279938 XQJGUGSYJFBEGQ-XLIONFOSSA-N 411.506 0.528 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCSC[C@H]3C#N)c2)CC1 537130601 QNNPPZGOGUJHJE-MRXNPFEDSA-N 422.532 0.621 30 20 HCED CS(=O)(=O)N1CCc2c(NC(=O)NCCCc3[nH]nc(N)c3C#N)cccc21 542715408 CMOOIKWTUIAWSQ-UHFFFAOYSA-N 403.468 0.940 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cn(Cc2ccccc2)nn1 551053830 XGYWVNDYESCBLL-UHFFFAOYSA-N 407.438 0.533 30 20 HCED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 552658593 OSVNNJQVTHRVDJ-NVXWUHKLSA-N 406.508 0.814 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCCn1cnc(C#N)n1 553966856 MGSGCOODLPVLSU-UHFFFAOYSA-N 411.875 0.389 30 20 HCED COCC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555177506 RWSLQEHGAASDKT-INIZCTEOSA-N 410.496 0.626 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 556626886 QCVXIIMDJZVFIN-WMLDXEAASA-N 413.478 0.196 30 20 HCED CCN(CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 558057990 SGBPZSGAASSNFO-MOPGFXCFSA-N 411.506 0.718 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn([C@H](C)COC)n1 559060004 MEHZAJBNSZTVEE-CYBMUJFWSA-N 401.423 1.565 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 561642039 HZRVSLGCYWWJLE-IEBWSBKVSA-N 416.478 0.144 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nc1 572785343 IQMGSFGWVOHMMV-UHFFFAOYSA-N 410.409 0.814 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 573432840 CLCVLDRYNGXUTM-UHFFFAOYSA-N 412.475 0.655 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)n2)c(F)c1 576055817 HJWACKYNNVVFKK-GOEBONIOSA-N 410.409 1.091 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 576541266 KILPHOAJWVTCFG-UONOGXRCSA-N 408.480 0.730 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C2CC2)O1 577773861 FQDWJZXBFDHWRK-MDASCCDHSA-N 410.474 0.801 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccncc2OCC(F)(F)F)C1=O 580499326 WSPANQYQSROBCV-ZDUSSCGKSA-N 414.384 0.884 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(=O)N(C)C 586827975 ABHZEIWHMZPNKC-UHFFFAOYSA-N 415.519 0.240 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 618601876 GVQHIHAQYXYXIJ-KRWDZBQOSA-N 411.462 0.924 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2SCC#N)C1=O 726043854 UAWFZQXSAVIOKQ-UHFFFAOYSA-N 416.415 0.761 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)CC1 728531765 PHHIWVMYAZROHC-UHFFFAOYSA-N 414.462 0.701 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1CCOC 728557144 FUXLAKVQYBXJOF-UHFFFAOYSA-N 414.531 0.800 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)c1 728761263 PFEMQRMKLNYCRI-UHFFFAOYSA-N 418.500 0.904 30 20 HCED C[C@H]1Sc2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2NC1=O 732909116 YOUNIONQTPRPMH-PWSUYJOCSA-N 407.473 0.699 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733159794 WUZSQWTYVCBIGR-HNNXBMFYSA-N 407.540 0.257 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 739912024 DXBUOEZQEHOPCV-OAHLLOKOSA-N 420.535 0.927 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742053444 HXLLJWYVMKURGL-CYBMUJFWSA-N 417.491 0.705 30 20 HCED C[C@H](CC(=O)NCc1ccc(C(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742482858 NNYDPZRANQAIKI-GFCCVEGCSA-N 400.460 0.919 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 743889900 TVONPABTJMVCLQ-UHFFFAOYSA-N 405.426 0.777 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 743975056 LXCBSBFQIICDQF-HNNXBMFYSA-N 413.409 0.740 30 20 HCED COCCc1noc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 745498291 VLMHGJZVDIAZBX-NSHDSACASA-N 408.436 0.819 30 20 HCED N#CCn1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 747406232 AYROQQPXHGFBMW-UHFFFAOYSA-N 411.465 0.228 30 20 HCED C=CCOCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 748377926 YSODQXDGYRXNRF-UHFFFAOYSA-N 403.501 0.282 30 20 HCED CCN(C(=O)CON=C(N)c1cccnc1N1CCCCC1)[C@H]1CCS(=O)(=O)C1 754278551 VEUMIZLABONXMG-HNNXBMFYSA-N 423.539 0.744 30 20 HCED Cc1cccc(-c2n[nH]cc2C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 755804337 LRNBMXJXLMLGAS-UHFFFAOYSA-N 402.436 0.095 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3ccccc3OC)C2=O)C1=O 757063515 PKQSFTQKPOIQBC-AWEZNQCLSA-N 401.375 0.321 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 757597195 XOEQVSWKTBQUOQ-IHRRRGAJSA-N 400.501 0.676 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCNC(=O)c2cccnc2)C1 758338343 MMPFIFKJDSNQJP-CABCVRRESA-N 402.455 0.870 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1 758500078 HPXLZZOPQHLLNT-HRCADAONSA-N 422.530 0.632 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CCN2C1=O 762526419 SCOIGFAZVXSZCO-CYBMUJFWSA-N 403.370 0.161 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)NC(C)(C)C 767672868 AAYCCZBSMUMNCM-LLVKDONJSA-N 410.452 0.393 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NC(=O)c1cccs1 767677348 RRICVXYWFSMRDK-LLVKDONJSA-N 421.456 0.786 30 20 HCED COC(=O)C[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCOC1 771657783 WDKKBWZDMRNEDZ-ACJLOTCBSA-N 409.464 0.454 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O)c1cc[nH]n1 772303361 PCPMDWXNLCGJAI-ZIAGYGMSSA-N 414.484 0.508 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 781992701 ZLTPDRISKKUMMK-UHFFFAOYSA-N 423.466 0.849 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)ccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 783480859 MNNZAPUQNBUDHH-GFCCVEGCSA-N 408.432 0.069 30 20 HCED CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 784211866 LHTGRNMBGVBGOX-LSDHHAIUSA-N 422.507 0.321 30 20 HCED Nc1ncc2c(n1)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 790057301 WUMWCXCEYVOBFI-UHFFFAOYSA-N 400.464 0.462 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 792446508 DADMPPNVTYLQTD-CQSZACIVSA-N 423.491 0.573 30 20 HCED CS(=O)(=O)NCCNC(=S)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 795004883 OSHZFUOOXCBYIO-OAHLLOKOSA-N 415.972 0.946 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F)C(=O)OC 797760888 ANYSECZINRKWJV-OAHLLOKOSA-N 402.444 0.986 30 20 HCED C=CCN1CC[C@H](OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1=O 798571963 IJMHPKOMOPMAIQ-KRWDZBQOSA-N 424.475 0.660 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@H](CO)NC(=O)c2cccc(Br)c2)C1=O 798604130 QKPDRONHWMLJLF-KBPBESRZSA-N 411.252 0.870 30 20 HCED C#CCN1CCN(C(=O)CN2c3ccc(Br)cc3CS2(=O)=O)CC1 802734411 QZJOJXVWYXFPTA-UHFFFAOYSA-N 412.309 0.876 30 20 HCED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCCn2cnc(C#N)n2)c1 803551480 TUSMNIGBXOEADG-UHFFFAOYSA-N 412.859 0.158 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCO1 804081091 FVBZXWXEKUOKSB-RBUKOAKNSA-N 412.490 0.139 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@](C)(O)c3ccccc3)CC2)c1C#N 807507041 MAGTXHHETZEKDX-QFIPXVFZSA-N 424.505 0.663 30 20 HCED CNC(=O)[C@H](CCSC)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 807905413 MDDZRMULPDXROY-AAEUAGOBSA-N 412.537 0.488 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)CC1 810343799 SUZPOMQDRUWFGW-IRXDYDNUSA-N 406.527 0.916 30 20 HCED CC#CCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 810774763 OBTNTMLIVZRURQ-UHFFFAOYSA-N 423.310 0.539 30 20 HCED C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)S1(=O)=O 812373959 MSNLDFYBGWRTNO-AGIUHOORSA-N 413.521 0.538 30 20 HCED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 857829096 SCTQVHGEDDMVTO-INIZCTEOSA-N 423.535 0.928 30 20 HCED CC(=NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916268586 VYXMDDJRDHKIEX-UHFFFAOYSA-N 422.532 0.983 30 20 HCED N#Cc1cccnc1NCCNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 920344016 CYIKYDVAMSKPQC-UHFFFAOYSA-N 418.435 0.758 30 20 HCED COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1195289621 PRPPPVVUYXNNKC-INIZCTEOSA-N 410.434 0.436 30 20 HCED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC(=O)N2CCCC2)C1=O 1251614478 CYGQLFBKPWODGJ-GTOLFZDISA-N 403.508 0.683 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)CCO1 1316540866 OQVNLCKIJHEHGE-HOTGVXAUSA-N 402.480 0.547 30 20 HCED C[C@H](CC#N)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 1318420425 HZNHCXSSHFLJTO-HHFPWCGMSA-N 413.521 0.798 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359142896 QCXFUOBMQNJUKZ-RYUDHWBXSA-N 404.924 0.698 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C2CCOCC2)CC1 1469992110 YEZKDICUIYWCON-HNNXBMFYSA-N 420.535 0.985 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 1476413630 UDISFJXSDPIOBF-AAEUAGOBSA-N 400.482 0.528 30 20 HCED CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1545263442 UCNKHVBZMVOOLF-YRBFXIGRSA-N 411.528 0.706 30 20 HCED 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O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC1)CCO2 1834635954 QRCXFPQIBBVNGQ-XCKVFWMBSA-N 409.483 0.772 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835363911 FKZVAWFTLHCTJP-HXUWFJFHSA-N 403.483 0.340 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836184838 QBVJTHCUDKWZJI-DYESRHJHSA-N 401.463 0.119 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=C(C)OCC3)CCO2)C1 1836271436 CARNZOBVCCAKCZ-UTKZUKDTSA-N 408.495 0.710 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1ccn3ccnc3c1)CCO2 1836982148 HYPXYRPXRUZNKQ-QFIPXVFZSA-N 408.458 0.818 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1837440853 BBIHFQACBDWNFS-GUBFPNNNSA-N 405.455 0.216 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1837490836 CGBAZKGEANCRNX-OAQYLSRUSA-N 416.478 0.178 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnn1)CCO2 1837868920 SXHJBQYCRDAKHX-FQEVSTJZSA-N 404.467 0.529 30 20 HCED COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905731 VTMXVBMZFXFIJU-HXUWFJFHSA-N 403.435 0.247 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839222613 SZMFHVYHFBOJHY-UWJYYQICSA-N 424.542 0.586 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223460 WJGMNDLKHQERQU-MBOZVWFJSA-N 411.499 0.835 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(OC)c(OC)cc1C)CCO2 1839400025 OLDYHFWQFBPGFM-NRFANRHFSA-N 402.447 0.715 30 20 HCED COC(OC)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419627 MFFLCLUOQCBROK-FQEVSTJZSA-N 421.425 0.386 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1839453785 CXDXKRHCEZBYQT-QFIPXVFZSA-N 411.458 0.916 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3cccnn3c1)CCO2 1839559324 AYUDJUCSXUOKNZ-JOCHJYFZSA-N 408.458 0.818 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1)C(F)(F)F 1839892035 OTFBXCITVYWFSD-QGZVFWFLSA-N 416.400 0.766 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840382926 FDGLMQODYHIOGC-HXUWFJFHSA-N 403.483 0.669 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415912 UDDMMNCZVVSSEP-VKJFTORMSA-N 411.528 0.250 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561538 PBHBAKLAQISVIS-BCVDLATCSA-N 406.483 0.219 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566308 GSXFOJHGWSZPMP-UWJYYQICSA-N 411.543 0.356 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840842026 IUNLHLJVJCQMOX-LJQANCHMSA-N 404.492 0.899 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1845109232 LNURDAWQEIHYKV-CVEARBPZSA-N 405.495 0.831 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H]1Cc3[nH]nc(C(F)(F)F)c3C1)C2 1846196851 WKAUMSFGKXNWKA-SNVBAGLBSA-N 410.352 0.435 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 44854071 CVZSFCIMCAZQDD-UHFFFAOYSA-N 407.473 0.437 30 20 HCED C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 48275936 MYKOZHLMPQDJRV-AWEZNQCLSA-N 416.459 0.803 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 409539968 ZUPYJGQFLGJOIF-CQSZACIVSA-N 411.509 0.201 30 20 HCED CC(C)N(C)S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409582287 OWKNWYKBMZBLTK-HNNXBMFYSA-N 416.525 0.274 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 409596522 SYMBANXKDMJRQZ-GFCCVEGCSA-N 408.933 0.934 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N(CCO)Cc2cccc(Br)c2)CCO1 410410676 IQPXQKNWGWDIAN-CQSZACIVSA-N 404.286 0.713 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COCC(F)(F)F)CC2)cc1 431091103 OTNCDWYXBHUACE-AWEZNQCLSA-N 407.414 0.804 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)Nc2ccn(CCC#N)n2)c1 435148968 DTNVUVIYVSKKMJ-UHFFFAOYSA-N 411.426 1.454 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N(CCO)CCN2CCOCC2)cc1C#N 437234171 GOMPBVSQJAUAEH-UHFFFAOYSA-N 404.467 0.437 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)n2)c(F)c1 442098611 AAYFMKGRAZYECO-DZGCQCFKSA-N 412.425 1.372 30 20 HCED COCc1noc(CN2CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)n1 444490851 ULMQFPMORXOEEV-UHFFFAOYSA-N 401.423 0.819 30 20 HCED Cc1ccc(CC(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 444507341 LFLXMIJQCMWHFW-UHFFFAOYSA-N 408.462 0.957 30 20 HCED COc1cc(OC)c(CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)c(OC)c1 444565147 AITTZXKCOBRRRX-UHFFFAOYSA-N 401.423 1.120 30 20 HCED COC(=O)Cc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 446527600 CEEBOVCBELOWHB-UHFFFAOYSA-N 402.451 0.415 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 461318003 ZJAHPOWDZGFCNO-NXQUOZRTSA-N 420.429 0.937 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)c3c(F)cc(C#N)cc3F)cn2)CC1 466271444 JTLMEVQLOZBOPN-UHFFFAOYSA-N 424.433 0.608 30 20 HCED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 476056752 UWGORDMNLZTZCM-CQSZACIVSA-N 419.507 0.422 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C 480259969 UJZWBMMWPQZHOV-UHFFFAOYSA-N 401.488 0.501 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCN1CCN(C)CC1 482141168 JOJDKNPKIAPESD-INIZCTEOSA-N 407.540 0.321 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC(C)C)nc2)CC1 491079882 RMWWAJJEMMBNNP-UHFFFAOYSA-N 403.483 0.501 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2CCCCC)CC1 491248555 UZIRVTVGAIOYKU-UHFFFAOYSA-N 404.515 0.767 30 20 HCED N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 495400671 DOIFOVJKNURJBG-CVEARBPZSA-N 401.471 0.216 30 20 HCED COCCN1C[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)CC1=O 498720767 SGZBPRGLCWTZOP-HKUYNNGSSA-N 400.479 0.899 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c1 500963571 GKCIRDNOWDCFIH-UHFFFAOYSA-N 407.514 0.495 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 503827554 HYGRPXBPFGJKBQ-IRXDYDNUSA-N 420.491 0.916 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 508847748 LJPYZLJPANYTIO-AWEZNQCLSA-N 416.511 0.668 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc21 509724595 OFRDOIKRHUOKMG-MRXNPFEDSA-N 418.413 0.831 30 20 HCED CN1CC[C@H](N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 511543746 VRZUUYQDIYMIIF-HNNXBMFYSA-N 412.450 0.617 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C3CC3)C1)CC2 511692103 PGCCXOOPOFKTCU-OAHLLOKOSA-N 416.503 0.768 30 20 HCED N#CCNC(=O)CNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 511916014 KTRUXRHNPIWEAT-NSHDSACASA-N 423.271 0.844 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 520536396 DXMJZLRDOGIMFS-GFCCVEGCSA-N 422.463 0.091 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCCc2cc(OC)ccc2OC)C1=O 521933556 ANVPPMANMZUGQI-QGZVFWFLSA-N 403.479 0.998 30 20 HCED COC(=O)c1ccc(F)c(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 527088202 LCJPIFKYGIVPKN-UHFFFAOYSA-N 402.386 0.819 30 20 HCED CN1CCN([C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)c2cccs2)CC1 530782765 WZIXVTKAPBRORH-OAHLLOKOSA-N 415.523 0.902 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1ccccc1 532221738 XBFUMXNAARMMOV-ZBFHGGJFSA-N 403.460 0.781 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 532473258 NSPKOLBCCJCJCA-BATSVXPKSA-N 405.543 0.975 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1 543217671 DTUFAJVHWTYPKY-UHFFFAOYSA-N 412.450 0.604 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)N=c1cc[nH]cc1I 546837711 JNGBSRDENXUQAA-UHFFFAOYSA-N 411.207 1.039 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)C2)nn1 547293112 NKBWTBGROSRXQK-GFCCVEGCSA-N 400.370 0.878 30 20 HCED C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(CC(=O)NCCOC)CC1 549724808 RKLMUYZCOKGYEB-FUHWJXTLSA-N 406.531 0.836 30 20 HCED CCOC(=O)C[C@H](O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 550153620 WEFGYMKXQBEJKZ-INIZCTEOSA-N 403.414 0.828 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 550187880 HJGLONIBDXTLSX-BHYGNILZSA-N 418.469 0.781 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCOc3ccccc3)C2=O)cc1 550365211 VJGMYWGDGWUMML-IBGZPJMESA-N 406.442 0.971 30 20 HCED N#Cc1ccncc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 553627155 JFWTUDGVDYAOHG-UHFFFAOYSA-N 414.443 0.871 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 555222504 MUNRBJZNFYEIQW-CQSZACIVSA-N 408.532 0.973 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2snnc2C)cc1 556437210 ZNSQETHXUWVZEG-UHFFFAOYSA-N 409.493 0.908 30 20 HCED COCC[C@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccco1 557987427 HCCIOHWYZCWAMI-INIZCTEOSA-N 414.466 0.736 30 20 HCED CCNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 558056263 ZSFSUBIJMULJHW-MRXNPFEDSA-N 413.478 0.448 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cc3F)CC1)CC2 562864514 OQELAMHXWPNECD-OAHLLOKOSA-N 411.441 0.377 30 20 HCED CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCc2cccc(C#N)c2)cc1 571901576 IADXNVHFBWOLHP-ZDUSSCGKSA-N 400.460 0.960 30 20 HCED COC(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 571931087 JXVNPQDPYQJTSQ-UHFFFAOYSA-N 417.443 0.705 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCCn2cnc(C#N)n2)cc1 577970417 FVQHPWODWWJUKD-UHFFFAOYSA-N 418.479 0.569 30 20 HCED COCCOCCOCCS(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 581576853 AHVCQBZBIDCXRN-UHFFFAOYSA-N 418.541 0.455 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)n1 582996108 NYOPNYPFXBIPDM-UHFFFAOYSA-N 421.417 0.265 30 20 HCED CN(CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)S(C)(=O)=O 610373808 WAKCZRCLFJYGLA-UHFFFAOYSA-N 406.386 0.913 30 20 HCED C=CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(=O)O 681558173 NRMOMSUTLQSUSK-LLVKDONJSA-N 416.399 0.835 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 728039971 VYHPXGAXEZLFNK-UHFFFAOYSA-N 422.388 0.923 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729119885 DTIPCJTXUVDXRM-JTQLQIEISA-N 417.281 0.994 30 20 HCED CC(=NNc1ncnc2[nH]cnc12)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816177 GHNKFKHDFKGUAK-UHFFFAOYSA-N 423.480 0.915 30 20 HCED CC(C)n1c(S)nnc1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 731442577 DMHJIHUEEAMIPN-UHFFFAOYSA-N 408.509 0.545 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C(C)C)c2)c1=O 732797513 QENYAVCAVLBHOM-UHFFFAOYSA-N 417.535 0.751 30 20 HCED C[C@H](CC(=O)N[C@H](Cc1ccccc1)C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742582946 FMLIOBIPPDCAIY-CZUORRHYSA-N 414.487 0.717 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)c1 746041395 OREFQLMFSOFJOJ-PFOIOJFUSA-N 420.491 0.828 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)C1=O 748566946 HWXDGYBAXGSZIO-CYBMUJFWSA-N 408.455 0.869 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O 756889100 YUCANGHNEKKMRZ-HOCLYGCPSA-N 408.466 0.168 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2cccc(Br)c2)CC1 766253394 XFAFRHVBFVZNSC-SFHVURJKSA-N 419.323 0.699 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCc1cccnc1 767891196 LEODUNQRIFZWNX-UHFFFAOYSA-N 423.523 0.809 30 20 HCED C[C@H](CC(=O)NCc1nnnn1CC1CC1)/N=C1/NS(=O)(=O)c2ccccc21 770272855 CDPNBOHPVMOZQX-LLVKDONJSA-N 403.468 0.217 30 20 HCED Cc1ccc(S(=O)(=O)NCCNc2ccc(S(N)(=O)=O)cc2C#N)s1 771925000 SWROAUBOPPTNGV-UHFFFAOYSA-N 400.507 0.966 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@H]1CCCO1 773796750 QBFGLFZFAQQZPE-RTBURBONSA-N 412.490 0.619 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 773948556 OLZBNWKZUYQLEL-AWEZNQCLSA-N 422.507 0.192 30 20 HCED COCC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C1CCOCC1 780198185 OFFWVQKABKMWAB-UHFFFAOYSA-N 411.528 0.859 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)n(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 783480717 LPMTXJURDICZSL-INIZCTEOSA-N 400.460 0.768 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 783481825 YCLPOWHWOAJIEX-QGZVFWFLSA-N 400.460 0.519 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 785643217 KFBCBDHCKULKBA-UHFFFAOYSA-N 404.286 0.377 30 20 HCED CN(C(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C1(C#N)CCCCC1 786369834 YZKUCBMTHYYZJQ-DTDBQYNISA-N 417.462 0.767 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c1 789959034 MCKIGVKPYJHXTN-FQEVSTJZSA-N 412.446 0.338 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCCN(c2cc(C#N)ccn2)C1 791976293 AXABUTXSPCTCQR-UKRRQHHQSA-N 418.479 0.566 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 792135898 GEFCISDOCXJJLA-UHFFFAOYSA-N 404.268 0.833 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)N(C)C 792420631 WVJFDZAIWICVRU-DRPFOCBESA-N 423.495 0.031 30 20 HCED COc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)c1OC 794924676 ZEESJAHTBDWJSR-UHFFFAOYSA-N 410.452 0.112 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 795063948 HJZGGVXMYSZVEY-UHFFFAOYSA-N 400.526 0.646 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C(=O)c3ccc(F)cc3S2(=O)=O)CC1 801664680 YTBFYKJPTLDTMU-HNNXBMFYSA-N 408.455 0.663 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2csc(N(C)C)n2)n1 806663888 ARBXBDNCSQJMIZ-UHFFFAOYSA-N 404.496 0.330 30 20 HCED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 808277200 MFHZHILYBQBMQA-UHFFFAOYSA-N 414.505 0.523 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 810780846 UDQCSDOZPLJJDQ-ZDUSSCGKSA-N 401.510 0.529 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 810995695 NSRWVYMQPMTPDH-UHFFFAOYSA-N 415.320 0.989 30 20 HCED COC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 811756730 RENMJPBPYAKAQY-DJJJIMSYSA-N 415.454 0.080 30 20 HCED N#CCCCC(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 812616233 YFUSWEXNTFGSDU-UHFFFAOYSA-N 409.464 0.561 30 20 HCED COC(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1 816501066 UQWVDWSPFFLCEM-UHFFFAOYSA-N 402.432 0.613 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 916199123 ATNXUOIHMKIHDA-UHFFFAOYSA-N 414.443 0.246 30 20 HCED CON=Cc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 917229485 CHXUZVIJMRPUAO-UHFFFAOYSA-N 418.494 0.883 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1ccc(O)nc1=O 925891028 MRYKMTCYQZZHTE-ZDUSSCGKSA-N 400.391 0.836 30 20 HCED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NCC1CCN(CC#N)CC1 1116128086 ZUYJWABOIMUJGF-UHFFFAOYSA-N 402.499 0.612 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1141568821 OJKKRHJXVDEDAS-KRWDZBQOSA-N 404.430 0.743 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)N[C@](C)(C#N)C1CC1)c(=O)n2CC(C)C 1317742185 KWRJFFXMXATYHZ-HXUWFJFHSA-N 416.482 0.471 30 20 HCED Cc1nsc(N2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1318896519 XUMWGMCRFHAHHX-CCEZHUSRSA-N 405.484 0.595 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1Cl 1322562043 HQRGTCDAXRFBLC-UHFFFAOYSA-N 409.855 0.801 30 20 HCED COc1cc(CNCCN/C(O)=C2\N=CC=CC2=O)cc(Cl)c1OCC(N)=O 1328195335 OJMQTXVVSUDLCA-FBMGVBCBSA-N 408.842 0.829 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 1346065260 QPPVPXBONKSZCK-KRWDZBQOSA-N 402.451 0.412 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCC1 1541675737 WBEUWNKMGVLJDU-MRXNPFEDSA-N 401.515 0.898 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1541992404 GEOHEOVJDWYMAN-HNNXBMFYSA-N 423.539 0.852 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)n1 1612212406 IXNVIQKAOOWTHO-AWEZNQCLSA-N 407.438 0.530 30 20 HCED N#Cc1cn(CCNC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c(=O)nc1O 1628953655 PXAAXBHOFFJDNC-UHFFFAOYSA-N 419.825 0.787 30 20 HCED CC(=O)N[C@@](C)(C(=O)N1CCN(CCC#N)CC1)c1ccc(S(C)(=O)=O)cc1 1635905842 NNXYYCNLMRALHX-LJQANCHMSA-N 406.508 0.499 30 20 HCED CN(C)CCn1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1-c1ccccc1 1641971099 XQHFESYRUBODQE-UHFFFAOYSA-N 421.461 0.676 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1680011181 VZUSFXRLUMXBFG-UHFFFAOYSA-N 409.494 0.874 30 20 HCED CN(C)C(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1696584969 QMIDRCKUFWNQHC-LJQANCHMSA-N 424.444 0.841 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)CCO1 1696964926 SBEIBJGHZGRQBH-UWJYYQICSA-N 410.478 0.929 30 20 HCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1710907362 ZKWAIJAZZIEYTB-DHGSNXJZSA-N 416.573 0.787 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nc4ncccn4n3)C2)CCC1 1778589794 DPFUPBVIDJOUJV-QVKFZJNVSA-N 423.477 0.946 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1778882506 AULOBRLOOMYPFB-BTYIYWSLSA-N 413.478 0.787 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1778974514 GRYZXXGMDMHPIE-LAUBAEHRSA-N 413.478 0.975 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnc1 1779061378 WPXXZGVCJRJVNX-AVRDEDQJSA-N 414.506 0.973 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1779100398 VURZLNISBDBEOU-CFFCXZSUSA-N 418.450 0.293 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1780101287 UJCXPRQXHRTVAK-QHCPKHFHSA-N 405.454 0.881 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)cn1 1780332025 JGAHMQRAOLVHFP-HXUWFJFHSA-N 410.434 0.832 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1781268702 UDXPZTXZUXAPIP-NRFANRHFSA-N 418.494 0.692 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H]5CNC(=O)C5)C4)C3)c2c1 1783167473 CKMTYGRZBZQXSY-SPLOXXLWSA-N 422.445 0.014 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)NC(C)=O)C3)C2)c1 1783179089 NOOHAMIDUHUVCN-SPLOXXLWSA-N 414.462 0.535 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csc(C)n3)C[C@@H]21 1783530362 VCCPILOVWGQRPA-HBRMBBLDSA-N 418.519 0.903 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)CCO2 1783558138 OJMKAUOKACEOFD-ZSDSOXJFSA-N 418.396 0.986 30 20 HCED Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783562636 DCQMCLMQRFACIW-FQEVSTJZSA-N 414.393 0.313 30 20 HCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@H]1SC(=N)NC1=O 1787492305 CUNUYDCVOVFHDV-MAVRREBHSA-N 418.519 0.182 30 20 HCED Cn1c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)cccc1=O 1789342708 BFGOEEIKKXICKZ-MPGHIAIKSA-N 409.446 0.492 30 20 HCED 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N#Cc1ccc(C[C@@H](C#N)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 472018788 SKJPJNSCLXQMTC-IBGZPJMESA-N 417.473 0.886 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 473226021 SSZGJAZEGITFHH-AVRDEDQJSA-N 408.458 0.697 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cc(N(C)C)c3)CC2)cn1C 479359962 DONVMYHSGGEWBW-UHFFFAOYSA-N 416.507 0.813 30 20 HCED C[C@]1(c2cccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)NC(=O)NC1=O 495060503 RBHNKZCZZBFJRT-OAQYLSRUSA-N 404.430 0.970 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2CCN(CC#N)CC2)[C@H](C)O)cc1 500630218 GXXVTUBHVRVNPI-YJBOKZPZSA-N 408.524 0.375 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502008786 IYIRSVRNZQJRGG-MRXNPFEDSA-N 413.521 0.682 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](S(C)(=O)=O)CC3)CC2)o1 502824724 HZCHLXLCCJEUEQ-OAHLLOKOSA-N 409.512 0.402 30 20 HCED N#Cc1ccccc1CSCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 502918882 BTPBIWSNSSTFBN-DLBZAZTESA-N 421.544 0.943 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 509739245 SRSFKMCEYDIERN-SFHVURJKSA-N 415.494 0.254 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 509918279 XWTMORQWMQJGAK-UHFFFAOYSA-N 401.467 0.792 30 20 HCED COC(=O)[C@@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1C(=O)OC 511355709 SEFHONFUEKCEQO-NVXWUHKLSA-N 422.459 0.426 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 514419124 MLFBFMORYKRQBZ-HJFSHJIFSA-N 406.483 0.810 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1=O 520641134 ZGTNTDZKEZMZTI-ZFWWWQNUSA-N 405.886 0.675 30 20 HCED COCCCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 536993216 LVXOSPGBRMWFQE-ZWKOTPCHSA-N 414.572 0.204 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 539181290 VAZMZFDCLSKXLQ-CQSZACIVSA-N 417.514 0.507 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)O 541003334 RTFNEGHSOFUPCH-VIFPVBQESA-N 417.237 0.925 30 20 HCED C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543919460 JMNDEEIVKPDUNO-AWEZNQCLSA-N 413.457 0.574 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCc1cccc(C(N)=O)c1 544202391 XZFOVUPCOZICSQ-UHFFFAOYSA-N 410.430 0.980 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546902993 WBOGBGKPVQWKJI-UHFFFAOYSA-N 423.429 0.792 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2ccccn2)CC1 548852623 PQUNGHVETYDTNE-HNNXBMFYSA-N 405.528 0.792 30 20 HCED COC(=O)C1(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCS(=O)(=O)CC1 557575313 MQIVQODSNIKDIZ-AWEZNQCLSA-N 423.466 0.760 30 20 HCED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 558242124 QXUJYHBFRDRCFE-GXFFZTMASA-N 421.866 0.885 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccc(C#N)cc1 559723000 BJIZCJGRKBWNPJ-INIZCTEOSA-N 411.506 0.748 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 560053796 XPGFFNNUUGJYCW-QGZVFWFLSA-N 418.457 0.844 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2=O)cc1 582628389 LKTZLTQLIHMIMJ-ROUUACIJSA-N 410.474 0.993 30 20 HCED COC(=O)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 589251521 PMQTWGRPXFJJKN-SFHVURJKSA-N 422.507 0.178 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)C1=O 589978049 MMBVSPYYKHZQKU-UHFFFAOYSA-N 411.422 0.875 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC(=O)N(C)C)c(Cl)c2)C1=O 604287987 QJAKOHMXRAJOIR-UHFFFAOYSA-N 422.825 0.722 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 610738254 UMMLOTPERRKJAH-SFHVURJKSA-N 406.508 0.687 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)C1=O 623213648 XNHTZHFIQMCXMN-UHFFFAOYSA-N 404.467 0.604 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 728571187 XPUXKOXAWXWWLY-ZWKOTPCHSA-N 414.506 0.040 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 730657549 NOTSWZJJABHJKV-FWHMADFJSA-N 400.439 0.934 30 20 HCED CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 731182983 ZVPGHABOJWOULH-AWEZNQCLSA-N 411.505 0.918 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)C1=O 732104044 KNIOBHOSKRIFEI-LJQANCHMSA-N 408.455 0.773 30 20 HCED CN1CCN(C)[C@H](CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 732474534 FAEASBSOXRTVAT-XEFZIOHMSA-N 422.555 0.867 30 20 HCED CN(Cc1cc[nH]n1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732703873 FYZURMGBNFBPRV-JWGURIENSA-N 418.479 0.820 30 20 HCED N#C[C@H](C(=O)CC[C@@H]1Cc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 732909681 FHBUFSXSONYZCL-HUUCEWRRSA-N 403.460 0.543 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 733050509 XCJROSFDVDPQRP-UHFFFAOYSA-N 400.407 0.877 30 20 HCED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 733162137 IRCSPNJIHPMDPO-UHFFFAOYSA-N 420.535 0.165 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C[C@@H]2CCOC2)CC1 736232367 QLSZIRQBANQLPB-AWEZNQCLSA-N 406.508 0.342 30 20 HCED COC(=O)CN(CC#N)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 737857214 LGDVHRJRNNNEMI-UHFFFAOYSA-N 408.480 0.944 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2nccnc2C(N)=O)cc1 742246143 YSVGXWMJLXFONB-LPYMAVHISA-N 402.436 0.641 30 20 HCED C[C@H](CC(=O)Nc1cnn(CC(=O)N(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 742620694 HWFYBKCLHSOURX-GFCCVEGCSA-N 418.479 0.427 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 746363385 XDAFSBCRLVPHKJ-UHFFFAOYSA-N 416.463 0.019 30 20 HCED CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)Nc1cnn(CC#N)c1 746381001 HRVNAJWLZDHMAN-UHFFFAOYSA-N 419.463 0.676 30 20 HCED CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)CC1 746396918 XJRZRFNZVYSKGZ-UHFFFAOYSA-N 415.498 0.184 30 20 HCED CC(C)OCCN1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 747422466 ZKEWQJAAGJPJJQ-UHFFFAOYSA-N 408.524 0.731 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 749666230 ZXWDTSUHOIDWPP-HNNXBMFYSA-N 417.437 0.874 30 20 HCED C#C[C@H](CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 754389238 YXUCTJWWYHRVMH-MRXNPFEDSA-N 409.483 0.967 30 20 HCED CCN1CCN(C(=O)CC2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)CC1 755005080 OATCALMIIBQQBU-UHFFFAOYSA-N 419.551 0.976 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2C[C@H](O)[C@H](O)C2)c1 756164167 DHUYJSHWPZUKIX-XYVNHNRLSA-N 410.496 0.849 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2Cl)c1=O 758060693 IVCFDLPWWGTMPN-UHFFFAOYSA-N 419.865 0.601 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 761034643 AWQPDHVOEVSJFF-GFCCVEGCSA-N 412.443 0.454 30 20 HCED CNC(=O)Cn1nc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C 767999807 ODPKZXSIWAFXQP-UHFFFAOYSA-N 418.479 0.395 30 20 HCED COC(=O)CCN(CC(OC)OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 772964219 HIWHKXQETVDJNZ-UHFFFAOYSA-N 401.397 0.639 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H]1CCCO1 775795666 PDVHRLBCGWSMNN-VQTJNVASSA-N 419.547 0.907 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 783346794 HYKAGVPFCOCFMN-UHFFFAOYSA-N 423.491 0.343 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)c1 783465009 XNGCXRHVMDCVHP-SFHVURJKSA-N 420.425 0.263 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(CC(=O)NC2(C#N)CCC2)C1 784337178 MQLZPOGPUHIJMJ-OAHLLOKOSA-N 407.515 0.902 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 786357048 AICINNGBFLFWLB-VSMFUXOOSA-N 417.443 0.724 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)c1cc[nH]n1 789995295 MBWVDXDMYLUTEJ-UHFFFAOYSA-N 422.486 0.782 30 20 HCED Cc1ncc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CC3)cn2)cc1C#N 793359595 UIXGYYJFBHYTLA-UHFFFAOYSA-N 408.465 0.403 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CCCO1 793741755 FRWXZSCSVWJFAF-RBUKOAKNSA-N 413.474 0.300 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)c1 794585768 WRLYNCGKDKCNSB-UHFFFAOYSA-N 407.473 0.408 30 20 HCED CNC(=O)[C@@H](Cc1ccccc1)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795323496 HFUGRPKWHHUILW-QGZVFWFLSA-N 401.444 0.737 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 799177485 QZHKENKOJIPYFN-GOSISDBHSA-N 401.467 0.962 30 20 HCED C#CCC[C@H](O)CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 799212774 YDTYKRZJAPLJGN-KRWDZBQOSA-N 408.524 0.909 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)ccnc1-2 806847837 NARMCTIPKJUMGA-UHFFFAOYSA-N 417.473 0.886 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)[C@H](C)C1 807453549 BGUZJRMSXNZPFY-GFCCVEGCSA-N 412.443 0.549 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(NC(C)=O)nc2)n1 807888543 SRFNIGOBFXIUBE-UHFFFAOYSA-N 412.450 0.161 30 20 HCED COc1ccc(S(=O)(=O)Oc2ccc(F)nc2C#N)cc1[C@@]1(C)NC(=O)NC1=O 808345824 MGHCACRRQUWXFW-QGZVFWFLSA-N 420.378 0.923 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 808841021 BRTULVYZRFEEOA-UHFFFAOYSA-N 410.315 0.476 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1=O 809246459 RJUVCQVUFMZMKG-XHSDSOJGSA-N 422.526 0.993 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 810169998 DPQBKBIKRIJMJA-UHFFFAOYSA-N 410.455 0.915 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812251827 HCGOXCJLJIHTMI-GJZGRUSLSA-N 409.512 0.222 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(C(N)=O)C1 816597985 MHBRCDXBIGWKLV-HIFRSBDPSA-N 421.523 0.801 30 20 HCED CC(C)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)N1CCOCC1 913173494 FPTGHVONONXHBG-KRWDZBQOSA-N 409.464 0.263 30 20 HCED CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 914761784 CKGCPFCCFGYSPH-HZPDHXFCSA-N 424.523 0.779 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN2CCOCC2)c1 916691856 JKSPDKVFIYPUGD-FXBPSFAMSA-N 409.512 0.953 30 20 HCED Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)N3CCO[C@H](C#N)C3)CC(=O)N2C(C)(C)C)cn1 1309681230 YTHGOFWQRDGRCX-UNEWFSDZSA-N 424.527 0.167 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCC[C@@H](C(N)=O)C1 1320673396 QECQBEUTAYBDBB-NUEKZKHPSA-N 412.446 0.567 30 20 HCED 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Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCCc2ccccc2)cn1 1767465586 UURHHVJLVXYPTB-GOSISDBHSA-N 420.477 0.766 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1778886641 SSBUNFVVQUMCKR-IERDGZPVSA-N 401.463 0.510 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1778970238 ASBZYWPMWULCIM-UWJYYQICSA-N 404.511 0.999 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n[nH]1 1779019370 OYHPYVXDGSLCBV-TTYLXTBDSA-N 402.499 0.562 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021221 CLNNLUWWWGOMJC-WJOMKEERSA-N 421.542 0.593 30 20 HCED CN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779063756 UMDHQVURIIZARF-HSZRJFAPSA-N 417.550 0.857 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)CNC(=N)N)CCO2)C1)c1ccccc1 1779182887 FYMHOGIWFQIMRH-GCJKJVERSA-N 411.506 0.497 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnn1C)C2 1779334480 YFCODCHMASMIGZ-STXHMFSFSA-N 405.499 0.516 30 20 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C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15037117 YKZVDVMOHMBRSP-CQSZACIVSA-N 421.523 0.877 30 20 HCED C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C2=O 15151508 YCVZXGCRZNNHTQ-AUUYWEPGSA-N 403.439 0.686 30 20 HCED COc1cc(NC(=O)C(=O)NCCCc2n[nH]c(N)c2C#N)cc(OC)c1OC 48706217 WAIKCBYLDVAYNK-UHFFFAOYSA-N 402.411 0.577 30 20 HCED CC[C@@H](CS(=O)(=O)c1ccccc1)NS(=O)(=O)N(CCC#N)CCOC 409483653 HUSNHUYHSIQBBK-HNNXBMFYSA-N 403.526 0.935 30 20 HCED CN(C[C@H](O)COc1ccccc1C(F)(F)F)S(=O)(=O)N1CCO[C@@H](C#N)C1 410118806 IGSHWGNPAVGTLR-STQMWFEESA-N 423.413 0.846 30 20 HCED CCN1CCC[C@@H](CN(C)S(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1cnn(C)c1 410424682 HGDBFVFSTHPGQS-CGTJXYLNSA-N 410.544 0.594 30 20 HCED COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)Cn1cnc(C#N)n1)CC2 426623339 MXSLUWAEJITPRE-UHFFFAOYSA-N 412.450 0.648 30 20 HCED CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(C)C 427735188 IBHCWJLTZCBSFZ-HNNXBMFYSA-N 402.842 1.223 30 20 HCED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)cc1 428224472 LUUZJFFZHVUQQW-UHFFFAOYSA-N 419.463 0.650 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccnc2C#N)c1 428250033 XDIJGAQVIYDVBG-NSHDSACASA-N 423.476 0.167 30 20 HCED C[C@@H](C#N)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 432095050 AMHIRSGRBMBGFV-CABZTGNLSA-N 406.386 0.646 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434990766 KIXNSNCIMOAQTR-OCCSQVGLSA-N 424.479 0.509 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1C#N 435842212 BYEQQGJKQMZDQU-INIZCTEOSA-N 401.467 0.740 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442041660 HUEJNYYQWAISPR-WCQYABFASA-N 401.448 0.639 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCNC2=O)c1 446525346 YQGYDTARVHDVOD-UHFFFAOYSA-N 414.466 0.229 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446527029 OMSYNUOABDDTRX-UHFFFAOYSA-N 401.467 0.401 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 460773288 UFCHXHJOPKXOEV-XQQFMLRXSA-N 407.562 0.722 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 460805263 QTHNKCKCHZOTID-UONOGXRCSA-N 419.573 0.868 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467284222 PCHAEJBITUKJFN-KRWDZBQOSA-N 415.494 0.117 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473389469 MSNIATYGYRXKPO-OXQOHEQNSA-N 423.517 0.861 30 20 HCED CNC(=O)[C@H](C)CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 478023941 AJKPWVBZYYLUQN-CQSZACIVSA-N 414.466 0.769 30 20 HCED CN1CCN(c2cc(N3C[C@H](C#N)[C@@]4(C3)C(=O)Nc3ccccc34)ncn2)CC1=O 480416747 MRLRJZXGSVBAHY-LHSJRXKWSA-N 403.446 0.605 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 493945803 UQFRLNJFWUDMCC-LLVKDONJSA-N 416.406 0.638 30 20 HCED C=CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 495043476 YFHJBIVQROZVNL-LJQANCHMSA-N 406.552 0.983 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](COC)c2ccc(CC)o2)CC1 497201198 VCCYQEZPSRADTE-INIZCTEOSA-N 406.483 0.092 30 20 HCED Cc1ccc([C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H](C)S(C)(=O)=O)cc1 499664408 ZDYGOTRRZHCIEJ-VNQPRFMTSA-N 401.510 0.528 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 499769417 KGOJMDFGKTUENV-SFHVURJKSA-N 413.478 0.549 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@]4(CCCOC4)C3)n2)cc1 506213432 CAFSXRRRCTZDGQ-FQEVSTJZSA-N 410.434 0.545 30 20 HCED CCOC(=O)c1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1C 508136721 QEPKHSNLZPDNSG-LLVKDONJSA-N 405.436 0.774 30 20 HCED C=CCn1c(-c2ccc(C)o2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508881655 RTHVPXSXMQGWTM-UHFFFAOYSA-N 412.454 0.499 30 20 HCED N#C[C@H]1CN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)C[C@]12C(=O)Nc1ccccc12 513656138 YFRMIVGXOOXOEO-MQJDWESPSA-N 420.429 0.394 30 20 HCED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 523132168 PSJKCKJMEDKONF-UHFFFAOYSA-N 415.418 0.891 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cnn(CC)c3)c2=O)cc1 523859333 KKHAGASABJTPHY-UHFFFAOYSA-N 407.499 0.927 30 20 HCED C=CC[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 533668144 UWPGMOKAJZIVNL-AWEZNQCLSA-N 424.523 0.793 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CC(N)=O 540935594 LKJFOEXUIVVFAU-UHFFFAOYSA-N 418.906 0.386 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 542451831 RGGOTUAKFRUABE-GJZGRUSLSA-N 421.475 0.558 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)C1 550284570 UFTHUGUITPDPBR-JTQLQIEISA-N 412.942 0.882 30 20 HCED CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCc3cccc(C#N)c3)C2)nc1 550591464 BNTYHZGAEIMIQY-UHFFFAOYSA-N 407.430 0.751 30 20 HCED CN1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 557270844 DNJMSHXMUACWND-HOTGVXAUSA-N 403.458 0.229 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N[C@H]2C2CC2)n1 560194537 FDRWPBPHUQQRDM-KSSFIOAISA-N 410.409 0.995 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 577563498 SPZINIBFQWQCDG-OAHLLOKOSA-N 421.527 0.521 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCc4nn[nH]c43)CC2)cc1 590420234 JYTXFKHNKJCWEP-OAHLLOKOSA-N 400.464 0.629 30 20 HCED CC(C)C[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1 593235962 PITJQTARKOPNGL-QGZVFWFLSA-N 408.524 0.700 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)o1 609671726 DKHPPUVVDRBIQE-MSOLQXFVSA-N 402.499 0.034 30 20 HCED CC(C)C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 611113713 GLIRHJDHPLEPPV-AWEZNQCLSA-N 401.510 0.924 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617015740 OFKPOLANBVFDBS-MRXNPFEDSA-N 421.523 0.676 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)nc2)CC1 725825215 HVJCPXQQUVDCLH-UHFFFAOYSA-N 409.468 0.311 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 726585698 KFMAFZKWVPTFCI-QGZVFWFLSA-N 419.507 0.541 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cn3cccc(C(=O)OC)c3n2)C1=O 730042479 XVNCBEZMSNDPKZ-UHFFFAOYSA-N 400.347 0.141 30 20 HCED C[C@]1(c2ccc(I)cc2)NC(=O)N(CC(=O)NCC#N)C1=O 731158282 BBVLXIOJBGCONS-CQSZACIVSA-N 412.187 0.698 30 20 HCED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC(=O)NCc1cccs1 741340799 OFZUPQZBFJNWEN-NXVVXOECSA-N 406.420 0.534 30 20 HCED COC(=O)CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCOCC1 744428156 HFILQKMJZMPVNT-UHFFFAOYSA-N 419.482 0.547 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)cc1 744448026 WORWOEPSJOTRQY-UHFFFAOYSA-N 420.535 0.128 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)NC2(CCCC2)C1=O 744494308 CYBDRRAXUZPIBU-UHFFFAOYSA-N 420.447 0.133 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)CCO)cc2)cc1 747574821 ZQSJZWCAOCCHNI-UHFFFAOYSA-N 402.428 0.797 30 20 HCED C[C@H](CC(=O)OCCn1ccc([N+](=O)[O-])n1)/N=C1/NS(=O)(=O)c2ccccc21 748133255 KFFQTABTQIEFQL-LLVKDONJSA-N 407.408 0.852 30 20 HCED CCN(CC)C(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748745612 SYVNXGITJJXBNG-CYBMUJFWSA-N 410.521 0.495 30 20 HCED CO[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 752134455 SPTZIJJNRYZVBF-XSOQZJFOSA-N 408.480 0.685 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c([N+](=O)[O-])n1 754817838 YCASZLAJEOHLER-NSHDSACASA-N 414.444 0.945 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 756894219 JJSKYTPASMVXLJ-ZNMIVQPWSA-N 414.528 0.923 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCCO1 773790429 AWCRFQXETNNGJO-SJORKVTESA-N 407.492 0.953 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H](O)c2cnn(C)c2)c(C#N)cn1CCOC 775766820 FPJNSFQMXWIIND-CQSZACIVSA-N 404.427 0.771 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 782904319 ACNSPNOLFAXTIJ-SJLPKXTDSA-N 420.487 0.832 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 783617255 BSNBMGGDMZDHFQ-HUUCEWRRSA-N 400.497 0.685 30 20 HCED Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 784067033 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CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccc1 839244913 LUDLDAZMFJLZFI-UHFFFAOYSA-N 421.526 0.915 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)cc1 914564950 NRVAHBPSHVSHAD-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2CCN(CC)C(=O)C2=O)cc1 916943459 XGNKVQUXQLPFBH-OAHLLOKOSA-N 414.418 0.201 30 20 HCED CC(=NN[C@@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 917530161 YAGAMVCLZLPUKJ-MRXNPFEDSA-N 416.569 0.417 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC)c2)c(=O)n1CCOC 917768930 ODJTUOROUJMCOD-UHFFFAOYSA-N 413.499 0.760 30 20 HCED C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N(C)CC(=O)NC1CC1 919549405 QAXAIEIVNBDEGG-GFCCVEGCSA-N 410.434 0.608 30 20 HCED C=CCN(CC=C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1218333941 ZRQMVSOGDQBRDD-JTXQQHNPSA-N 401.507 0.522 30 20 HCED N#CCOc1cccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 1251825435 YBCDFHCUFCZBCH-AWEZNQCLSA-N 404.448 0.371 30 20 HCED 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N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)CCO1 1521137998 WWFVXLCZNMOONU-MRXNPFEDSA-N 411.466 0.275 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2ccc(Br)c(F)c2)c(=O)nc1O 1561764986 PVKVJYBUJVBREK-UHFFFAOYSA-N 417.216 0.701 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cc1 1563962620 UYRRPZMJSKCSLH-UHFFFAOYSA-N 423.564 0.768 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1608366503 OZRVYEWXVVTVMH-AWEZNQCLSA-N 408.528 0.981 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1614080999 VMWCPYGKZMDDAL-MRXNPFEDSA-N 421.465 0.620 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccc(C(N)=O)c2)cn1 1618401293 WKPNCVAPXVPCNB-QGZVFWFLSA-N 406.450 0.749 30 20 HCED CN1CCC(N(C[C@@H](O)CC(C)(C)C)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1623897467 SQLYUYXZYQATLO-KRWDZBQOSA-N 419.526 0.931 30 20 HCED N#Cc1ncn(CCNC(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)n1 1686407988 OYQKDLFAEPMOSZ-GFCCVEGCSA-N 407.356 0.969 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(F)cc1 1692800756 LGFHFMFABWUSAG-BBRMVZONSA-N 422.486 0.999 30 20 HCED Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cnn1C 1724133789 RTTMEEPABHNVOH-DYVFJYSZSA-N 407.475 0.712 30 20 HCED Cc1nc2sccn2c1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1778722419 RJKOREPFEYTJIJ-GOSISDBHSA-N 402.432 0.236 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778778824 CVQDAVCLAXVKBO-QRWLVFNGSA-N 411.499 0.873 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1)C(F)(F)F 1778961433 LZKVKCUODITSKA-LRDDRELGSA-N 406.405 0.642 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1778976923 VOVILLDIIMALGO-UGSOOPFHSA-N 400.497 0.207 30 20 HCED Cn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779102515 ZQNQRKXBOUWNNH-JCOOVGHISA-N 405.455 0.393 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1779106101 QHNLBAGVFLOVOS-FVSHYKRFSA-N 416.478 0.983 30 20 HCED 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JHHGJHVQOGKRPY-MRXNPFEDSA-N 410.540 0.724 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@H]1c1cccnc1 1807114113 YWTHWMAYJLBFQG-NXHRZFHOSA-N 418.567 0.882 30 20 HCED C[C@H](Nc1cnccn1)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1810330360 PFJDHNCXXVHUSA-YYFZDKIDSA-N 422.445 0.466 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1812669265 ZNBBYGXLBUAWRJ-YQQAZPJKSA-N 423.464 0.892 30 20 HCED CSCC[C@H](O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812882078 HQHZUIDJGBOXIX-VKJFTORMSA-N 405.476 0.289 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)CCc2cnccn2)[C@H]1c1cccnc1 1813447796 YCIGRPAGEXOVPN-HRAATJIYSA-N 407.430 0.598 30 20 HCED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1814107543 LPYKQBSLLWURDM-SXLOBPIMSA-N 400.479 0.151 30 20 HCED N#Cc1cccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)Cn2cnnn2)CC3)c1 1822027069 BDWMSWSDFPYILY-CYBMUJFWSA-N 408.447 0.927 30 20 HCED C#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976082 AWYZBMPQYLMBCA-LJQANCHMSA-N 423.579 0.750 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn(C)nc4OC)C3)C2)C1 1829665110 SWYSPFITXZZHJB-FQEVSTJZSA-N 404.467 0.465 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)C[C@H]3C)C2)C1 1829768807 ISFOTRBUNLMSPJ-HLVDDPSYSA-N 405.495 0.347 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC(F)(F)C(=O)O)C2)C1 1830056704 OKXMEFAYCOTCDX-MRXNPFEDSA-N 403.382 0.103 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830752411 SHQUWQRLKAJZGO-DBXWQHBBSA-N 409.527 0.518 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1830870731 ADBZJUVXDBVUMN-WIYYLYMNSA-N 401.463 0.645 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ccn3)C2)C1 1831396752 QJTCMEMVLGRMHG-YWZLYKJASA-N 421.881 0.843 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831397271 PYHJTDFHRHPLNI-VGSWGCGISA-N 411.458 0.667 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1832458314 LKBDJTBTAAPMNF-FQEVSTJZSA-N 422.551 0.945 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1832461478 XMWNTQIFVNLSGG-FQEVSTJZSA-N 420.535 0.819 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1833469606 LHFVDWRHNPYPKX-UHFFFAOYSA-N 418.542 0.833 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834085058 PNSPJJVUKMCMJF-HNNXBMFYSA-N 402.499 0.039 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1834397483 QEHSUWKOQNOONG-NRFANRHFSA-N 409.446 0.676 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834605140 DRJZBMJLALGRJN-LAUBAEHRSA-N 420.462 0.283 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)CC(=O)N5)C3)C2)CC1 1835341904 LNZYVNVRYIDZRB-JOCHJYFZSA-N 424.457 0.555 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cnccc5[nH]4)C3)C2)CC1 1835344787 UVGAEIFNNFWUIN-OAQYLSRUSA-N 409.446 0.937 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707530 IVKQZUMWZQQAKB-PZJWPPBQSA-N 400.479 0.341 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055723 VEOQZRUTJQGPFN-PKOBYXMFSA-N 410.540 0.373 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836195790 YXYVKJJYTJUDLO-FXAWDEMLSA-N 406.483 0.239 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c1 1836200788 ZCBYJGCAVAVAPM-QFIPXVFZSA-N 423.473 0.833 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1837404741 BUYBSMRRGXFICO-OLDFGLLWSA-N 410.467 0.047 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837441777 FIQRZTJLUNTATJ-XLKWYTADSA-N 403.483 0.218 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncccc1Br)CCO2 1838076021 VAFRIQQXBRMIOY-KRWDZBQOSA-N 408.252 0.547 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1839846419 RMOJGFXTYRHHBL-UWJYYQICSA-N 407.511 0.668 30 20 HCED Cc1c(Cl)cccc1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040795 YJQWJPHHUAMLMZ-FQEVSTJZSA-N 420.849 0.806 30 20 HCED C[C@H](Cc1ccco1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043952 DOYJXORKIUVGFB-FOIQADDNSA-N 404.419 0.003 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840045022 MTVLBOFXKXKBBO-HRAATJIYSA-N 400.431 0.335 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840293817 WVSHZEOSKGFMHQ-OAQYLSRUSA-N 421.494 0.479 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCS1)CCO2 1840576634 BIJJEHMAYMFRGL-BBNMULTHSA-N 424.567 0.810 30 20 HCED O=C(O)c1cnncc1C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1844459272 FRXWKXCISWAWCL-UHFFFAOYSA-N 412.446 0.690 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)C[C@](C)(O)CC(=O)O)C3)c1 1844727135 LMKKTTSGLWGLHP-FQEVSTJZSA-N 415.446 1.000 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cc2ccc(Br)nc2)C1 1844990182 DWFGCLLCDBQPGB-UHFFFAOYSA-N 406.236 0.678 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845108906 WUHZTDFJMNAGNW-MELADBBJSA-N 413.540 0.736 30 20 HCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 1847291084 OZEMNTWHFCNCJI-OSAWLIQMSA-N 403.479 0.705 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCNC1=O 18760989 JYKJAQPCMJXZPG-HXUWFJFHSA-N 412.402 0.247 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 104735197 WKKSKYXIZCMBPQ-QGZVFWFLSA-N 407.492 0.614 30 20 HCED Cn1c(NC[C@H](O)COc2ccccc2Br)c(C#N)c(=O)n(C)c1=O 301711639 KPZRSUXIXCOQDC-JTQLQIEISA-N 409.240 0.570 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 409551698 UHHJCMTYGZSRRQ-CQSZACIVSA-N 408.480 0.899 30 20 HCED CC(C)N1C(=O)C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 434390216 KPQVFCNVPYUXQY-LSDHHAIUSA-N 411.418 0.415 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@]34CCOC4)CC2)cc1 441495080 DLCNROUPRMQADR-HXUWFJFHSA-N 419.503 0.977 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 441845089 NQGJBBUTEDTJFB-UHFFFAOYSA-N 411.418 0.421 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 447415156 ZCLLRGYKXZCPTC-OAHLLOKOSA-N 419.449 0.596 30 20 HCED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C[C@@H](C)O2 448426035 RFIVRLAISHMGNF-LRAJWGHMSA-N 424.461 0.931 30 20 HCED Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460589616 VYUZQAYIIHIWHR-QGZVFWFLSA-N 420.429 0.942 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(F)c1 467139585 BZQAXYAKJGAREI-LBPRGKRZSA-N 405.448 0.330 30 20 HCED CCn1c(=O)oc2cc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)ccc21 467421956 WXEIEAIBRNUREE-UHFFFAOYSA-N 408.480 0.851 30 20 HCED CCc1nnc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C#N)c1CC 467790886 RPLDZIFGHUYVGU-UHFFFAOYSA-N 408.528 0.926 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C 470473791 CKXNFQVHFOKEKV-HOTGVXAUSA-N 420.535 0.937 30 20 HCED COC(=O)CN(CC#N)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl 471153534 WSXCIYNGLARQKP-UHFFFAOYSA-N 416.887 0.917 30 20 HCED CC(C)[C@H](CCO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475132487 VTACRIMELNBWSF-KRWDZBQOSA-N 408.524 0.388 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)C1 479895371 APSNDUADOPLEFR-LBPRGKRZSA-N 401.452 0.063 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)c1noc(CN(C)C)n1 481281276 FKBSHELVPNSCBR-LBPRGKRZSA-N 420.495 0.721 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)C(=O)OC 481772900 CUSXOIYFYGOERF-CQSZACIVSA-N 416.434 0.868 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@H]4CCOC4)CC3)CC2)o1 494718444 OKRLWFNDAPYSCW-QGZVFWFLSA-N 402.499 0.157 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)cc1Br 499390838 LNYMLSQNLBECLW-NSHDSACASA-N 400.254 0.953 30 20 HCED Cc1onc(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1C#N 499623454 CNBJXEVODCAORI-UHFFFAOYSA-N 407.408 0.937 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 500208442 KIRVCAAOMFKMPI-UHFFFAOYSA-N 415.269 0.267 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)CN3CCS(=O)(=O)CC3)CC2)c1 501720048 UNVQBTJBPZKICN-UHFFFAOYSA-N 404.492 0.466 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCCC(=O)OC 501778099 TYGFOHNENNYXQM-UHFFFAOYSA-N 411.483 0.668 30 20 HCED CS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 502970002 NTXMMPKKLVROMF-QZTJIDSGSA-N 408.499 0.653 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccon2)c1=O 505663382 NSHVIVQKGSSBFF-UHFFFAOYSA-N 424.486 0.114 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 512467635 DVOXLTQDTHIVOD-MOPGFXCFSA-N 405.543 0.392 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)CCCCC#N)c1 517601519 KHABIQIGQSXTIE-LBPRGKRZSA-N 402.498 0.535 30 20 HCED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 519984848 KMBIQPDGYZEBTM-UHFFFAOYSA-N 423.429 0.792 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(F)c2F)c1=O 521664829 DGQVWGWEARESDA-UHFFFAOYSA-N 407.442 0.864 30 20 HCED Cc1nn(CC(=O)NCc2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCOCC1 521763806 IBXKINFRXVVURT-UHFFFAOYSA-N 417.491 0.709 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CC(N)=O 524281269 OHPWCQUDUNNANA-NSHDSACASA-N 414.443 0.422 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC[C@H]3NS(C)(=O)=O)CC2)o1 527262543 OLOUEELNELSDMF-HUUCEWRRSA-N 409.512 0.905 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 531681728 CWVFZUXGCBOIFU-ZFWWWQNUSA-N 411.505 0.427 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1Cc1ccon1 532194996 YCMRSJLJEXDNKT-UHFFFAOYSA-N 418.837 0.988 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ccccn2)c1 532313375 NVZPXLADUHWPFQ-CQSZACIVSA-N 417.433 0.605 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)c1C#N 534790943 FPEQNVQKIAVLEU-LBPRGKRZSA-N 420.495 0.747 30 20 HCED COC(=O)c1cncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 536558307 BGIAAHNTQTYLNN-UHFFFAOYSA-N 414.443 0.887 30 20 HCED CC(C)[C@](C)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 541212733 WCCHEKOAACOCSB-VBHSOAQHSA-N 412.458 0.082 30 20 HCED CNC(=O)CC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 543217629 BNBQAPZFTPBGPQ-UHFFFAOYSA-N 402.451 0.897 30 20 HCED COC(=O)[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 547742737 HKCKETVZIWNJRB-GOSISDBHSA-N 422.507 0.178 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 554066928 HUQAVWKHJGZTDR-JKSUJKDBSA-N 412.494 0.365 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(CN3CCOCC3)CC2)c1 565510003 RIFAOLPLHMDTKA-UHFFFAOYSA-N 406.508 0.407 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)CC2 565556508 NXWMDZSETOYGHD-SFHVURJKSA-N 407.478 0.234 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OC 568493417 SYOIFISLHOXYOS-GOSISDBHSA-N 410.492 0.656 30 20 HCED CC(C)(C#N)CCS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 575164680 KJZOSZQRWNXDFI-UHFFFAOYSA-N 404.470 0.732 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3c[nH]c4ncccc34)CC2)c1 577770528 YYTOPNYAGGHIRQ-UHFFFAOYSA-N 403.446 0.837 30 20 HCED Cn1nc(S(C)(=O)=O)c2c(=O)n(CC(=O)Nc3ccc(C#N)c(Cl)c3)cnc21 579193226 WJCQWYRGZUJTHC-UHFFFAOYSA-N 420.838 0.697 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 588278832 QVKZNYDEBOBODO-VLIAUNLRSA-N 422.449 1.432 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588866321 NQURUBWZZUHZRN-OHZJNBGDSA-N 402.476 0.197 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1C1CC1 590999058 HTHWNRJBEMKOFJ-UHFFFAOYSA-N 409.467 0.837 30 20 HCED C[C@@H](C(=O)NCC(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603783195 NAYMTJLJIQDEQK-LBPRGKRZSA-N 404.414 0.932 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)c(F)c1 608796596 YIKWOEIFNIFUEX-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)CC1 610425209 NKTCMFONULWILR-DLBZAZTESA-N 400.483 0.869 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 610913160 DNDSFOUCYNHNJL-WMLDXEAASA-N 406.508 0.595 30 20 HCED CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1CCO 614920064 CPNXMHDVRCGTDI-FQEVSTJZSA-N 417.529 0.923 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cn2)cc1 615391461 GRVPRMPZNNWMSV-OAHLLOKOSA-N 420.385 0.447 30 20 HCED COc1ccc(CC(=O)N2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 615610038 ZIVDEXSXXYFPCM-GOSISDBHSA-N 411.455 0.723 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 728534544 MLNZGIPVXSAZOH-SFHVURJKSA-N 411.506 0.824 30 20 HCED Cc1cc(C)n(-c2ccc(CC(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)n1 732911173 XNOSCTPWULUOAY-SFHVURJKSA-N 414.487 0.998 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1 742180570 XGFIICYMOYDNAZ-AWEZNQCLSA-N 402.519 0.158 30 20 HCED COC(=O)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccc(O)cc1 742251357 SSIGSRIQLSCEQS-HLAUDOPJSA-N 401.419 0.757 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c(OC(F)F)cc1C 743728376 OZQWKSFYSSTKBX-UHFFFAOYSA-N 404.398 0.640 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 743891934 TXKWILZNYLXFGI-ZDUSSCGKSA-N 411.455 0.564 30 20 HCED Cc1cccc(N(CCC(N)=O)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 748526064 DIKASLIFCFVDPO-UHFFFAOYSA-N 400.460 0.942 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)CC1 748671738 SWILINUXOIWUFJ-UHFFFAOYSA-N 419.467 0.757 30 20 HCED CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC#Cc2ccccc2)cc1 749663756 MKQSFVHIUZRHLK-UHFFFAOYSA-N 401.444 0.975 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)cc1 749694525 SRKLHFQAKNNXMG-MMOSJZJFSA-N 408.480 0.279 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC(=O)NCCC#N 750233596 HFYGIOXNNYTXDK-JTQLQIEISA-N 407.370 0.945 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)NCCS(=O)(=O)N1CCOCC1 753053007 NJQRRTNTCOYJTD-UHFFFAOYSA-N 412.468 0.367 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cscc2Cl)c1=O 758079280 IQSXPJSBGSUNQR-UHFFFAOYSA-N 421.931 0.914 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 761025661 XHZMGUWNYMFSOK-UHFFFAOYSA-N 417.535 0.635 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1Cc1ccon1 765144696 JYTPXUWSWZMYOA-UHFFFAOYSA-N 415.500 0.740 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)OCC(=O)N1CCN(CC(=O)N(C)C)CC1 766803949 LUQWFIIOVUZLQR-UHFFFAOYSA-N 419.478 0.649 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 766985834 ZIDUDSJANSNGPS-GFCCVEGCSA-N 422.463 0.909 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(CC(=O)OCC)C2)c1 768791246 LZYNSRHXADSCEW-MRXNPFEDSA-N 408.476 0.782 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 772232192 XQCZPQAMSZYZCQ-GFCCVEGCSA-N 409.443 0.819 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1CCCO1 773794820 JCOHYNFDTNOEFO-GDBMZVCRSA-N 409.439 0.601 30 20 HCED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)Nc1cnn(CC#N)c1)CC2 781979653 JDQUWGJAKPJQRA-UHFFFAOYSA-N 402.436 0.233 30 20 HCED N#C[C@@H](C(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 787060057 MNVQWLHDBIQXHR-AWEZNQCLSA-N 413.390 0.784 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)CC1 789975428 BAEQAJFIJGMQRH-QZTJIDSGSA-N 413.522 0.593 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)c(F)c1 802562353 KXZLQNFSDNXTPH-UHFFFAOYSA-N 421.400 0.803 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1)[C@@H]1CCCO1 809313011 RBRFFGBPLSTPHF-OALUTQOASA-N 420.554 0.370 30 20 HCED C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)Nc1cccc(C#N)c1 913374142 OYDFPOZTFLSIIW-NSHDSACASA-N 407.386 0.688 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917763175 NMIVLULRGQKJSL-UHFFFAOYSA-N 415.519 0.313 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)c1 918342879 WPXLIACUFHUBIZ-UHFFFAOYSA-N 401.444 0.953 30 20 HCED CC(=O)N[C@H](CC(=O)NCCn1cc(C#N)c(O)nc1=O)c1c(F)cccc1F 1148392911 NIEZHSNRARCZGC-CQSZACIVSA-N 405.361 0.482 30 20 HCED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1297807361 WEQISJMTNZXLPV-HYDGNGQDSA-N 413.507 0.799 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1 1337819091 HBIJTKRIKRIRLE-UHFFFAOYSA-N 422.507 0.361 30 20 HCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1515316469 ZNCKGHFQWJJZAF-OAHLLOKOSA-N 411.466 0.519 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COC)C1 1517627938 RLAATQBUVHJUSY-HNNXBMFYSA-N 404.496 0.839 30 20 HCED N#Cc1cn(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c(=O)nc1O 1586650808 ZQTWRHVJBFCDRJ-MRXNPFEDSA-N 423.429 0.775 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1596792425 WHBRHFBELYJCQT-OLZOCXBDSA-N 413.548 0.646 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 1622507725 OVAFRHYIBJVWJS-UHFFFAOYSA-N 420.516 0.977 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1690346604 XWRMVOTWPFEMIQ-AAEUAGOBSA-N 402.908 0.959 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1696623250 RSRNANVNQAGIRO-OAHLLOKOSA-N 417.495 0.020 30 20 HCED CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709832409 LYJJYHMNWPBQEF-HOTGVXAUSA-N 414.514 0.322 30 20 HCED C[Si](C)(C)c1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)co1 1779001493 QZUCOEATJMPIED-LJQANCHMSA-N 404.495 0.356 30 20 HCED Cn1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016957 WWMYWWKVZMEGAH-LQOIVRHRSA-N 402.499 0.264 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c1 1780169270 PQPDJULEACIXBF-LJQANCHMSA-N 421.475 0.055 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3OC)C2)C1 1780520686 LEQXVUBELVSKMK-BVGULUMVSA-N 413.474 0.997 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781400829 XMZPOZLXQINCMP-RVKKMQEKSA-N 401.529 0.731 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1)CCO2 1783051653 HOXFELHGZQMSRM-WOJBJXKFSA-N 409.458 0.799 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783975926 PCNUJAMDFITQHD-SWLSCSKDSA-N 411.446 0.449 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1784485320 JPCZSAQVTZMICS-JKQORVJESA-N 404.467 0.060 30 20 HCED COc1cc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccn1 1785105347 QETPHTDPTXPVNK-ULQDDVLXSA-N 415.446 0.091 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 1785530809 CSMLYMIXZZLBAH-IBGZPJMESA-N 419.365 0.194 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cc1O 1786368023 DGNCMYNMGLBLRD-MPGHIAIKSA-N 400.435 0.858 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc5ncccn45)[C@H]3C2)c1 1788005582 ZNYDECIDXQVZKI-MPGHIAIKSA-N 419.445 0.836 30 20 HCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)n[nH]1 1789303559 MGTIFBPGUBQSOW-FWAYQNGUSA-N 402.499 0.783 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790562284 IXZDTVQJTFFGDU-LAQRGFTBSA-N 418.494 0.686 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C2 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20 HCED N#Cc1ncn(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)n1 25002926 GDUOTHLVZUMLRM-UHFFFAOYSA-N 400.464 0.914 30 20 HCED CN(CCCOc1cccc(S(C)(=O)=O)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 409585671 QENIDDTUPBOKHL-HNNXBMFYSA-N 417.509 0.260 30 20 HCED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c(OC)c1 409587437 VGWGIQRLCKDMNH-AWEZNQCLSA-N 410.496 0.798 30 20 HCED N#CCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 427626572 QOTSMGMJTLXJOL-LLVKDONJSA-N 406.386 0.648 30 20 HCED COc1ccccc1NC(=O)CN1CCN(CC(=O)N(CCC#N)CCC#N)CC1 428645725 DDBOSYUKJKFSLZ-UHFFFAOYSA-N 412.494 0.907 30 20 HCED Cc1ccc([C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H](C)S(C)(=O)=O)cc1 437096679 YRPJYNYISNXJLY-RHSMWYFYSA-N 417.491 1.334 30 20 HCED CC#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 440706663 UPTDOIJBCDPWGC-UHFFFAOYSA-N 422.507 0.242 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2C#N)cc1 443018490 NVRAMMDXJSUSOX-UHFFFAOYSA-N 409.489 0.961 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1C#N 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N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 510886837 IQILTKIWDIEOEA-UHFFFAOYSA-N 417.495 0.853 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)COc1ccccc1C#N 510999659 PNJCVVBHCVUYIF-UHFFFAOYSA-N 403.460 0.866 30 20 HCED C=CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 512685497 PUWPSKNPFQWWNC-UHFFFAOYSA-N 422.536 0.625 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)C)CC2)cc1 518110873 AGBUKEDLWFZDLV-UHFFFAOYSA-N 408.524 0.984 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)C1=O 519127439 AVAXKIMPEFWYJI-HUUCEWRRSA-N 406.483 0.311 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)NCCOC)ccc2Cl)C1=O 524392328 BXFQNQKRCRFQER-UHFFFAOYSA-N 422.825 0.632 30 20 HCED N#CC1(NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C(N)=O)CCC1 527118924 QTBQAJNPLCPJFY-UHFFFAOYSA-N 406.464 0.511 30 20 HCED Cc1cc(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)n(CCC#N)n1 532995120 AYPDEVVPLLDWSX-UHFFFAOYSA-N 400.414 0.658 30 20 HCED Cc1cc(=NC(=O)[C@H](C)SCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)[nH]o1 535026973 BKXTXUUJIZDHOI-NSHDSACASA-N 405.484 0.733 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1 537068442 CLQVWNVHHKMIJV-HZPDHXFCSA-N 402.451 0.293 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCSC[C@@H]3C#N)CC2)cc1 538228359 SXUKRKQQLGCNKL-INIZCTEOSA-N 408.549 0.769 30 20 HCED C=CC[C@H](CO)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 539329134 CLLHLJCJDRTODQ-UONOGXRCSA-N 414.480 0.910 30 20 HCED N#C[C@H]1CSCCN1C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 540430498 OOEPZIIPKMIALK-ZDUSSCGKSA-N 411.505 0.984 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)NCCC(=O)N1CCN(C(C)=O)CC1 542426999 MRLNONNMBYQBCK-UHFFFAOYSA-N 417.466 0.786 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@]4(CNC(=O)C4)C3)n2)c(F)c1 543933551 PBBFFJXLHCKIKF-FQEVSTJZSA-N 410.409 0.950 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 549257545 ZDGQLKWNVYDPAQ-HNNXBMFYSA-N 410.544 0.856 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cn4ccsc4n3)C2=O)cc1 550541663 PPDNKFYZNJYAJI-MRXNPFEDSA-N 422.470 0.801 30 20 HCED CN(C)c1nc(N)nc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 553269726 JIKPMYZOGHNYIV-UHFFFAOYSA-N 406.454 0.522 30 20 HCED C[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 554150842 NUPKVUOKLWQXOU-JGGQBBKZSA-N 401.442 0.566 30 20 HCED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)nn1 556221872 VZTRRJLZSYKSIN-UHFFFAOYSA-N 421.211 0.454 30 20 HCED N#Cc1ccncc1N1CCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)CC1 559259545 FVAFDBSAYHMPIM-SFHVURJKSA-N 406.446 0.953 30 20 HCED N#Cc1ncn(CCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 561394468 SRDFFPHBKMQWFC-UHFFFAOYSA-N 407.412 0.191 30 20 HCED CN(C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 561782426 CPRNMSLMRLACLV-SJORKVTESA-N 417.485 0.571 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCN(CC(F)F)CC2)n1 564760804 LTXNCSPWXCGIHL-UHFFFAOYSA-N 403.393 0.877 30 20 HCED Cn1ccnc1[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 566583073 ABXBYKFHCOAUDZ-MSOLQXFVSA-N 420.473 0.525 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 567068192 PXWCPZYPSAMDBY-UHFFFAOYSA-N 410.908 0.139 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)n1 567718876 XSBWBGCXNWNXLY-AWEZNQCLSA-N 410.400 0.355 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 571079459 RNOYJUKQSNWOHQ-SFHVURJKSA-N 421.505 0.726 30 20 HCED C[C@@H](C#N)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 582523410 UCDMHGCTCUEIOP-CMPLNLGQSA-N 420.413 0.894 30 20 HCED CCOc1c(OC)cc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1OC 586841265 CBJLQULXWGWGQK-UHFFFAOYSA-N 404.467 0.823 30 20 HCED CN(C)C1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC1 588639783 YFKQVZRQPABFSX-UHFFFAOYSA-N 400.483 0.673 30 20 HCED Cc1cn2c(n1)CN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 588869141 CSLOYWHHLWEUHR-QGZVFWFLSA-N 406.446 0.323 30 20 HCED NC(=O)C1(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCOCC1 606037785 HGJLZIRAGCRKCV-UHFFFAOYSA-N 406.442 0.818 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 609087574 WSBCTFUQGYKLJX-NSHDSACASA-N 416.406 0.638 30 20 HCED COc1cc(C#N)ccc1OCCS(=O)(=O)c1nnc(O)n1C[C@@H]1CCCO1 610146609 JCNIYPRROYHMGI-ZDUSSCGKSA-N 408.436 0.896 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCN(C[C@H]2CCCO2)CC1 610804357 CODACIPXOAWGHJ-FUHWJXTLSA-N 420.535 0.938 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 611089241 NWZAOQSZMAHKKO-QGZVFWFLSA-N 420.535 0.197 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)CC1 729281501 DSGYLOJKVYMYEQ-FQEVSTJZSA-N 409.490 0.494 30 20 HCED CN(C)CCN(Cc1ccccn1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 730547806 GXBCVEFZWAGMDZ-UHFFFAOYSA-N 401.492 0.711 30 20 HCED COC(=O)C1=C(C(=O)c2cc(OC)ccc2OC)[C@H](c2cn(C)nn2)NC(=S)N1 741651867 QLXUXKISIJTKOA-AWEZNQCLSA-N 417.447 0.661 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCCS(N)(=O)=O 744593167 HQDSWFVVJSJYAE-GOSISDBHSA-N 407.448 0.373 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCCOC)cc2C)CC1 747993214 ARUZVEZMYYQYFT-UHFFFAOYSA-N 401.463 0.947 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 748547631 SKLUSBVHOFHCPQ-GOSISDBHSA-N 418.519 0.152 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cncs2)c1=O 758069564 UOEPNIOZXXEVAE-UHFFFAOYSA-N 402.501 0.045 30 20 HCED C#C[C@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760519047 ZZRLXAFSWJZTIP-CMPLNLGQSA-N 405.398 0.756 30 20 HCED CN(C1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1)S(C)(=O)=O 761160162 KCAMIIKWCAGHIY-UHFFFAOYSA-N 412.443 0.549 30 20 HCED C[C@H](CC(=O)N1CCC[C@@H](S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 764433773 NTGSOQXDDZWHKM-CHWSQXEVSA-N 413.521 0.539 30 20 HCED CN1C(=O)CN(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 765155729 RMDVBYGQBNARTN-CPNJWEJPSA-N 408.440 0.430 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cc(=O)n2ccccc2n1 766298647 KRHFTZUUBPTQDF-CYBMUJFWSA-N 412.427 0.976 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cnn(-c3ccc(Cl)cc3)c2)c(=O)n(C)c1=O 771888556 DULVQLIDUGLIOI-UHFFFAOYSA-N 422.854 0.236 30 20 HCED C#C[C@@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 773547985 JWAGMTKFUSZDHO-CZUORRHYSA-N 410.452 0.890 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 777911948 RGXGKBHZNUJKDF-UHFFFAOYSA-N 408.436 0.881 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2ncn(C)c2=O)cc1 778635466 VSZKIRPEWLFTAB-PGMHBOJBSA-N 420.495 0.814 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CCCC1 779320830 DYVOLUWUJIFOQB-UHFFFAOYSA-N 422.419 0.850 30 20 HCED Cn1c(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nnc1-c1ccccc1 781983471 RVECMABQORXMLL-UHFFFAOYSA-N 424.486 0.880 30 20 HCED O=C(CCCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NO 782171891 QKGBNQOWUPIOHK-UHFFFAOYSA-N 419.525 0.815 30 20 HCED Cn1cc(C(=O)NCC2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)cn1 784588327 QXKQJFUOIWCYPJ-UHFFFAOYSA-N 402.480 0.586 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)C(C)(C)C)c1 784772060 FCNLNBFILKKLFF-JZRFMTABSA-N 424.523 0.961 30 20 HCED CN(C[C@@H](O)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 785084202 MBXIEEPBBPQARR-ZKCWRFQVSA-N 422.507 0.667 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)c(F)c3)cnc21 786572658 XOXKQHIKGSKGKW-LBPRGKRZSA-N 413.340 0.951 30 20 HCED CC(=NNC(=S)NCCN1CCOCC1)c1cc(S(N)(=O)=O)c(C)cc1C 794470469 VCQMIDLKOHONRD-UHFFFAOYSA-N 413.569 0.471 30 20 HCED C[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)n1cnc(C#N)n1 798747037 BNFSTLKSCKQFOS-NWDGAFQWSA-N 420.451 0.531 30 20 HCED N#Cc1ncn(CCNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)n1 804620838 WEPKEPZEAKZZLY-IYBDPMFKSA-N 405.418 0.858 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 805092638 QAOPQKNDVMYAMJ-UHFFFAOYSA-N 421.504 0.372 30 20 HCED Cc1cc(C)n(-c2nnc(SCCS(=O)(=O)c3ccc(C#N)cn3)n2N)n1 808018106 ICABBYIYTCKBTK-UHFFFAOYSA-N 404.481 0.627 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(N3CCCNC3=O)cc2)C1=O 812759737 KOJJWITXINDQGZ-ZDUSSCGKSA-N 413.434 0.760 30 20 HCED C[C@@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)N(CCC#N)c1ccccc1 815265729 LPECMZGBOUDEMK-CABCVRRESA-N 408.480 0.780 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)C[C@@H](C)O1 816758184 JVYBFPLUGSLOSD-DVOMOZLQSA-N 411.480 0.595 30 20 HCED C=CCOC(=O)[C@H](Cc1nc(-c2cn(C)c(=O)nc2O)no1)NC(=O)OC(C)(C)C 904843303 JHFOQQWKILUQQA-NSHDSACASA-N 421.410 0.701 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C(N)=O)CC1 913181296 NVDNIYVCYYOFGU-HNNXBMFYSA-N 406.508 0.864 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CC(=O)N2CCCC2)CC1 917186800 MZRJMXJTWXJMKS-UHFFFAOYSA-N 418.519 0.976 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2O1 918268800 IAYVWZGYYGGMTB-MRXNPFEDSA-N 408.418 0.022 30 20 HCED O=C(N[C@@H]1CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1083663128 ZDTOLISIZSPCKO-MVBLQPKNSA-N 404.894 0.904 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2C1 1116773685 UNNWZYUJCCFCMI-GOEBONIOSA-N 422.493 0.594 30 20 HCED CC(C)(C)OC(=O)CNC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1323741209 CUSUUZQKOSNKOY-AWEZNQCLSA-N 401.419 0.912 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c(=O)nc1O 1446913407 KKWUMPWONXNFFZ-AWEZNQCLSA-N 419.800 0.925 30 20 HCED N#Cc1cn(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nn1 1459117063 WVNRUQKEXKKNDT-UHFFFAOYSA-N 400.464 0.914 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)C[C@@H](C)O1 1466941022 LIOIMMCFECVMSQ-OKILXGFUSA-N 408.484 0.457 30 20 HCED COc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@](O)(CC#N)C3)C2=O)c(OC)c1 1564723929 KNHJNQSYSMAGHG-OXQOHEQNSA-N 402.451 0.865 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCc1c(C)nn(CCC#N)c1C 1626149287 RHIVFUZPSVULPS-KRWDZBQOSA-N 419.482 0.253 30 20 HCED CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1696630089 WMIXPLZQXWFUSS-OAHLLOKOSA-N 423.520 0.485 30 20 HCED CS(=O)(=O)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1698299951 JRDYOVZHRKOHKD-HZPDHXFCSA-N 417.491 0.963 30 20 HCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1722480986 VQBPVDOUNKIIQM-MNOVXSKESA-N 419.305 0.526 30 20 HCED CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1729214294 KXPORBVXPSGOQJ-KGLIPLIRSA-N 411.532 0.639 30 20 HCED CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1761885337 VTTINVUEDIRYQM-GDBMZVCRSA-N 409.560 0.860 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1766723519 SJQMHTALCRAQPN-AWEZNQCLSA-N 404.496 0.981 30 20 HCED CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1768489184 LLJFXQJDRQXVNV-HOTGVXAUSA-N 422.555 0.783 30 20 HCED N=C(N)SCCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016560 JTDJEFURVQDVIF-AGKWGAAGSA-N 410.544 0.305 30 20 HCED Cc1nccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779017216 FNGSYBFDUOEWIN-CCULFSDZSA-N 400.483 0.700 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)NC(=O)NCC)C1 1779315427 OHVGTUZKJHAHTM-BZLDKRAPSA-N 424.542 0.799 30 20 HCED NC(=O)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779428092 GBMVZIWOPIIYEG-AXLIVSBKSA-N 424.498 0.295 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)c1Cl 1780192308 UAFZJVWVHSZUQS-IBGZPJMESA-N 414.853 0.947 30 20 HCED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780192976 URVMYABVKHTNKL-IBGZPJMESA-N 404.854 0.791 30 20 HCED COc1cccc(OC)c1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780540701 BFDJAVOAHVUAAG-FQEVSTJZSA-N 402.403 0.235 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)c1 1782060775 HWOCQPAJQPAZGE-NRFANRHFSA-N 408.462 0.992 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782631588 DGCTWKNHBYEPKU-FOIQADDNSA-N 404.467 0.536 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)Cc3cc[nH]n3)C2)C1 1782792477 UHPUCIYFTLLBGD-YWNAFCPWSA-N 405.455 0.311 30 20 HCED CC(C)c1nn2ccccc2c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563123 WWBAGZKDFJSXRI-JOCHJYFZSA-N 424.457 0.989 30 20 HCED 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C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839049964 GWVRPEMBNKOOGY-OAQYLSRUSA-N 411.462 0.142 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085043 UOSIEXMEHUZQSS-LZJOCLMNSA-N 405.495 0.420 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839374401 NAMORAOOPUOHRB-HXUWFJFHSA-N 404.419 0.287 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839552884 ABPKMCXMUWIQAQ-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705413 FXSHGHAZFMFGAH-YJBOKZPZSA-N 409.512 0.215 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1840158271 JSBMJANIGSFKGD-VHFSOBRXSA-N 422.503 0.601 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(F)nc3)C2)C1 1840159035 VQDZDNPGVPRVHB-IFXJQAMLSA-N 411.499 0.928 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840293749 UAJLLSLHQFFCNQ-MZMPXXGTSA-N 417.506 0.471 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1840842538 NMTYLXJURNVUFE-OAQYLSRUSA-N 414.437 0.957 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 1841080882 XVCLEERVHAEHTO-OAHLLOKOSA-N 403.479 0.992 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841580184 KHKUBRRUAOQIQU-HNNXBMFYSA-N 401.529 0.500 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3cnnc3)cc2)C1 1842852992 OSAOFUFIAWNMLO-HJWRWDBZSA-N 420.473 0.943 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1845188128 JNVDSUPMEVASDM-GXTWGEPZSA-N 422.507 0.502 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)OC(C)(C)C)C1 1846535300 IDYFMXLMUGDCFA-HNNXBMFYSA-N 401.467 0.682 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCCS2(=O)=O)cc1 1847309655 YLUVVMBYAOLLGC-OKZBNKHCSA-N 401.488 0.880 30 20 HCED CN(C)C(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)c(C#N)c1 1847344312 OFEZIIZYHDQKKS-IRXDYDNUSA-N 401.442 0.713 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC(=O)NC 7418866 OJYLQJGSVPAZLA-LJQANCHMSA-N 400.391 0.150 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC(=O)NCC 18760518 NWDRZEXMJIPZQT-FQEVSTJZSA-N 414.418 0.540 30 20 HCED N#Cc1c(CCCNC(=O)[C@@H]2CCS(=O)(=O)C2)nn(-c2ccc(F)cc2)c1N 48162956 BOXPZHAZEBXDOR-GFCCVEGCSA-N 405.455 0.949 30 20 HCED C=CCN(C(=O)CCc1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCS(=O)(=O)C1 57237952 QJPWBOBEIZIUOY-OAHLLOKOSA-N 400.522 0.729 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1 144201874 OPVYEQBQXKMRNH-UHFFFAOYSA-N 402.451 0.385 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 147975589 UAUARBWVOPTZMT-MRXNPFEDSA-N 408.414 0.938 30 20 HCED COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409587862 RZAXFCRYVRSZOE-MRXNPFEDSA-N 414.915 0.935 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428385376 ZBNVKCNYKLXCHQ-UHFFFAOYSA-N 402.498 0.014 30 20 HCED CCN(CC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 429608433 XHMSBDPBZSSWKK-LBPRGKRZSA-N 420.413 0.990 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 433630928 CGDGEKNCMBWQSK-ZDUSSCGKSA-N 409.464 0.415 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H]2C[C@@H](N(C)C)CC[C@@H]21 437592743 SKGBFACFTIQDEW-OYSPMZIOSA-N 420.535 0.935 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@@H](C)C1CCN(C)CC1 438776135 MYDDGPLRONYKLJ-HNNXBMFYSA-N 409.494 1.575 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 443354918 GWTSFWYATPEFJA-KUDNYVPYSA-N 416.415 0.552 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3OC)CC1 448357253 XSIRKOHEEQLFOK-QGZVFWFLSA-N 416.478 0.542 30 20 HCED N#C[C@@H]1N(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CCC[C@]12CCCCO2 468631811 MWKYZIDVTZLIAU-BBTUJRGHSA-N 404.511 0.621 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H](C)CC#N)CC2)c1 468887184 HEOOZVANWKUVMX-OAHLLOKOSA-N 406.508 0.956 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnc(CC(C)C)nc3)CC2)c1C#N 472690340 VUKZLKDVEYPGRB-UHFFFAOYSA-N 410.482 0.876 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)c1C#N 472760931 BLRVZITWEROJCG-KRWDZBQOSA-N 420.473 0.768 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 473767815 IVSDYDRVRWJJLF-UHFFFAOYSA-N 406.472 0.771 30 20 HCED COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1C 475238666 UXDXBXBHFXPKRW-XJKSGUPXSA-N 410.434 0.794 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1F 481012027 ZBQKHEUCXJPSQO-UHFFFAOYSA-N 417.422 0.564 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 484395153 UCUNBAZFWRXKKC-MRXNPFEDSA-N 403.870 0.915 30 20 HCED N#CCCn1cc(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 489563817 ITZVLNUGCRZWMA-OAHLLOKOSA-N 423.389 0.748 30 20 HCED CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CS(C)(=O)=O 494045971 BNHKWZBRKLKJPI-CYBMUJFWSA-N 401.510 0.460 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c1 495496008 AJRHRMMVLCEKIP-SFHVURJKSA-N 420.535 0.530 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1Br 499911548 KFDHJBZXNFEAHW-JTQLQIEISA-N 401.242 0.149 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508044610 LMJRGNDUBKFMKL-UHFFFAOYSA-N 416.482 0.650 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 511717955 CLKVIZMPSSTNQJ-KNCCTNLNSA-N 409.377 0.984 30 20 HCED N#Cc1cccc(CNC(=O)CS(=O)(=O)Cc2nnnn2Cc2ccccc2)c1 520167424 MAGBKYBBNNXRFJ-UHFFFAOYSA-N 410.459 0.824 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 521128078 POBALUUYTMQSLR-UHFFFAOYSA-N 405.432 0.918 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 532314396 XTBGBMMZULVHAP-HUUCEWRRSA-N 422.511 0.379 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CN(C)CCC#N)CC2)c1 532649552 DWBVLDPWIQXQQR-UHFFFAOYSA-N 410.496 0.382 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 536085696 QHGVVLRJMJEBAQ-INIZCTEOSA-N 412.515 0.902 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 536470935 GDKXCLQKOSVJPN-UHFFFAOYSA-N 409.468 0.663 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)C1=O 538792024 ZXNFHWKSGLNESV-NSHDSACASA-N 407.452 0.589 30 20 HCED Cn1cnn(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c1=O 538838623 BAXROCCKVSSVMS-OAHLLOKOSA-N 419.283 0.753 30 20 HCED C=CCSCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 542833242 KKWFQBVRJMWICG-UHFFFAOYSA-N 406.551 0.905 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 553344198 OGIQSSBNJHZCGS-QRTARXTBSA-N 409.508 0.869 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 564535917 HYVICXCKDUCAOV-QZTJIDSGSA-N 419.503 0.569 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 567655137 MCRJNJUBDALKKC-CYBMUJFWSA-N 406.913 0.820 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1 571249328 BTSXUONYSLXRCA-QGZVFWFLSA-N 416.459 0.737 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 580370158 WACNJKYMOZOXCU-JQHSSLGASA-N 400.479 0.786 30 20 HCED CN(CCc1ccccc1O)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 580626131 MOHBSNNSYDCTKW-UHFFFAOYSA-N 404.430 1.543 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCN2C(=O)CCC2=O)CC1 603667636 MXORAQXSPWIKQT-UHFFFAOYSA-N 418.475 0.320 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604540481 LIFHVQFYNTUOMS-UHFFFAOYSA-N 421.523 0.736 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccnc1 609039023 YNAOWFXZTYFWCU-UHFFFAOYSA-N 424.482 0.406 30 20 HCED COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c1 609813355 XWBCGYHZBKCJNP-UHFFFAOYSA-N 416.459 0.738 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1CCN(C(=O)C(=O)N2CCCC2)CC1 613370633 XHCMVGSMACIPNY-LJQANCHMSA-N 401.507 0.921 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 615315163 GMDSZZKZENQPNT-QGZVFWFLSA-N 415.494 0.418 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1cccc(CC#N)c1 619485942 YDSQDUVXQNWWDA-UHFFFAOYSA-N 423.516 0.844 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccccc2OCC#N)c1 729417105 IBHZCRBATQRQSR-UHFFFAOYSA-N 402.432 0.866 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)cn2)c(N)n(Cc2ccccc2)c1=O 730891620 ZRJPTTGATZNHCR-UHFFFAOYSA-N 419.397 0.484 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)CCC1=O 733778218 PNBXRMZAHDJRJC-UHFFFAOYSA-N 420.491 0.551 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 737223380 CKRKXRHWWNGYRD-UHFFFAOYSA-N 400.888 0.430 30 20 HCED C#CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 743970349 AGOZFHUFBAUIOK-GASCZTMLSA-N 407.492 0.953 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccccc1NC(=O)Cn1cnnn1 744876514 YAKWCSQMWDBMLV-DJJJIMSYSA-N 413.438 0.912 30 20 HCED COCCCNC(=O)[C@H](C)OC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745497209 PLQVLKCEZUFFCP-STQMWFEESA-N 411.480 0.588 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(c(O)nn3C)c2C)CC1 746215779 PSWXOLHDDLMSOS-UHFFFAOYSA-N 412.494 0.117 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C(=O)NO)cc1 746268011 GDGOAXYQYJHFIB-UHFFFAOYSA-N 422.463 0.095 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](CO)C2)c1 749665088 ZDCDTWCXFAVUTJ-LQFHHUIYSA-N 422.507 0.669 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)s1 750232634 WZDKNCCEFQBGIS-QMMMGPOBSA-N 409.283 0.470 30 20 HCED CS(=O)(=O)CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 753737070 DDMFWBPLLQLLDG-QGZVFWFLSA-N 404.492 0.878 30 20 HCED CNC(=O)c1nn(CN2CCN(c3nccnc3C#N)C[C@H]2C)c(=O)c2ccccc12 756874304 ACCAFNUBAIOUEA-CQSZACIVSA-N 418.461 0.586 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 756889958 AIQBHZQSAYTGBQ-GXTWGEPZSA-N 421.479 0.359 30 20 HCED COC(=O)c1cn([C@H]2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)nn1 760535326 UQHUEJDHQLQJFB-INIZCTEOSA-N 423.433 0.605 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 761153422 AYGKTKXQFQUYMD-AWEZNQCLSA-N 418.425 0.764 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4n(n3)CCCO4)CC2)o1 763365423 LPDXGHMZYYTLCF-UHFFFAOYSA-N 400.395 0.339 30 20 HCED Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccon2)c1=O 765146634 WDFRTWUFKNPRNH-UHFFFAOYSA-N 413.484 0.493 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 773549837 UICNXMNWBNFCMC-ROUUACIJSA-N 402.476 0.755 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NOC2CCOCC2)c1 773634386 QNTJWKHVSFADAF-PGMHBOJBSA-N 424.479 0.665 30 20 HCED C#CCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 773645249 UUALOVDORDZWBQ-UHFFFAOYSA-N 411.480 0.861 30 20 HCED COc1ccc(CCN2C[C@H](C(=O)NS(=O)(=O)CCCC#N)CC2=O)cc1OC 776119679 WEUXEJTZLBXRAO-OAHLLOKOSA-N 423.491 0.845 30 20 HCED N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 780334671 BUQXHOJHHYDWHK-UHFFFAOYSA-N 404.408 0.639 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 782996249 GDNNNSOIEQNJSM-UHFFFAOYSA-N 417.553 0.914 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@@H]1CCS(=O)(=O)C1 783480464 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423.535 0.798 30 20 HCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834069338 MHONJQBSQJYNDX-UHFFFAOYSA-N 400.483 0.917 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1834388274 MMJUXAVEMKFPAZ-QFIPXVFZSA-N 423.473 0.833 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096056 NKTGSGSQLUOFJA-RBBKRZOGSA-N 400.475 0.511 30 20 HCED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1F 1835341371 ZEYGFOHGXJMEJM-HXUWFJFHSA-N 418.425 0.603 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@@H](N)c4cccnc4)C3)C2)CC1 1835343013 XKMMJXGEMPPZKW-UTKZUKDTSA-N 413.478 0.232 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CC4CCOCC4)CCO3)C2)c1 1835420747 WXFGVANKPGNALK-NRFANRHFSA-N 416.478 0.773 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1835672756 MAYPMWRJXHKLBS-OAQYLSRUSA-N 415.494 0.433 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1836065247 VFVQLOAOOANSFB-NRFANRHFSA-N 402.495 0.613 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1nc(C)no1)CCO2 1836074428 APMMHJPWHVWPRO-HXUWFJFHSA-N 404.467 0.571 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837397694 SHLRYOCONPCLQN-JXFKEZNVSA-N 423.535 0.715 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1837403907 VZJMGCNHSUXMKZ-WWMYMODYSA-N 411.543 0.356 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1838078040 NLOIVNLYQZWTIZ-NSHDSACASA-N 410.496 0.818 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838271640 QKXXGNUABNLFPV-IERDGZPVSA-N 418.494 0.091 30 20 HCED Cn1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1Cl 1838307354 IBQQMVDVUTWZEB-SFHVURJKSA-N 407.858 0.447 30 20 HCED CC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595057 FGGFZFJQJCNMKD-IBGZPJMESA-N 405.838 0.871 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839642244 IPDJELODFLFDMI-YWZLYKJASA-N 403.483 0.297 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 1839810892 XDXZBSRRFLFCJM-IIBYNOLFSA-N 421.494 0.476 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839887659 DZCCONCGZOXBGD-SFHVURJKSA-N 412.389 0.921 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)c1 1840015365 OMIVHSBKVKWQRA-GHTZIAJQSA-N 417.437 0.946 30 20 HCED CCOc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840156235 LOYMWEKXVICPCD-KUHUBIRLSA-N 409.508 0.869 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840292450 QLWZNOODOBZGKY-NRFANRHFSA-N 405.495 0.259 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840292454 QRABSQQARRCTLZ-JOCHJYFZSA-N 418.538 0.918 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840484196 DHPODFMBTZEZPU-NRFANRHFSA-N 414.462 0.358 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840844772 LBJOXQXJLCINAM-HRAATJIYSA-N 400.479 0.384 30 20 HCED CC(C)(C)OC(=O)NCCOCCOCC(=O)N1CCCC12CN(C(=O)CC#N)C2 1841434444 LKMTYYYHUYUBDE-UHFFFAOYSA-N 424.498 0.661 30 20 HCED C=CCCC(C)(C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841893095 ATSNZXWCBYLBOL-UHFFFAOYSA-N 411.568 0.913 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1845252581 KHLUPJPWXXUEBV-CYBMUJFWSA-N 402.455 0.244 30 20 HCED CCN1CCN(c2ccc(C(=O)N3CC4(CCCN4C(=O)C#CC(=O)O)C3)cc2)CC1 1846197365 YEBGKNXDMSZFQF-UHFFFAOYSA-N 424.501 0.734 30 20 HCED CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2n[nH]c3ccc(C#N)cc23)CCC1=O 1848047087 ZKLKQHGUHHGSBI-IRXDYDNUSA-N 419.445 0.858 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)N3CCCC3)CC2)cc1 10116767 UUHJFSMUFZRQIN-UHFFFAOYSA-N 404.492 0.698 30 20 HCED CCCCn1c(N)c(N(CCOC)CC(=O)Nc2ccc(C#N)cc2)c(=O)[nH]c1=O 10565534 RWFPEFUEDFZGER-UHFFFAOYSA-N 414.466 0.882 30 20 HCED C=CCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)[C@H]1CCS(=O)(=O)C1 57238239 AOTRPALQEHWCHP-LBPRGKRZSA-N 406.551 0.655 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CC(=O)N2CCN(c3ccccc3)CC2)CC1 303981285 OYGNAUWQBIBWRW-UHFFFAOYSA-N 416.526 0.860 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 410384600 HLTJYOURVYMHHC-KRWDZBQOSA-N 405.480 0.356 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)n1 441744474 XRTAMHWJGVCBAI-GFCCVEGCSA-N 406.443 1.415 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C)cn2)c1=O 443671208 BUOPCWAFAKTVDJ-UHFFFAOYSA-N 400.529 0.758 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)cc1S(=O)(=O)NCC#N 446444815 PPOJCNAODFQPGR-INIZCTEOSA-N 416.507 0.929 30 20 HCED CN1CCN(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 460189819 WTCKLSYVVSJXEE-UHFFFAOYSA-N 413.457 0.288 30 20 HCED CC[C@H](C#N)S(=O)(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 462079268 DLNICCQFDBGRQW-CYBMUJFWSA-N 403.482 0.760 30 20 HCED COc1cc(C)c(CN2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)cc1OC 464884136 GKMQFHSVSXJUGK-GOSISDBHSA-N 402.495 0.881 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 465126161 DSVSVKGZXDHGGX-WMLDXEAASA-N 418.457 0.904 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 465399040 HJFIDSHBPMFEFN-UHFFFAOYSA-N 410.452 0.788 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)c3nccnc3C(N)=O)c(C#N)c2N)cc1 468431298 UZVVWKFVRVTXEE-UHFFFAOYSA-N 404.434 0.886 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1 471800006 PSRARFFIEKHOCN-UHFFFAOYSA-N 421.479 0.785 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 476449504 ZCOGJQOYAPWNSI-SJORKVTESA-N 404.492 0.576 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 477266626 FNVZQMFWJYJGQB-LAUBAEHRSA-N 407.559 0.060 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1F 480917944 QLGYWJJWSHPKIU-UHFFFAOYSA-N 401.442 0.793 30 20 HCED CN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 481538884 OFWGSQKVOREPEZ-MRXNPFEDSA-N 405.480 0.195 30 20 HCED C=CCN(CCOC)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 482399336 MLCDQNBZOSYBMY-ZFWWWQNUSA-N 413.452 0.380 30 20 HCED CS(=O)(=O)CC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486484281 FCHUREHMCQLYDW-INIZCTEOSA-N 404.492 0.783 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)cc1 488912949 BVMKXLSUFGLGJU-UHFFFAOYSA-N 401.492 0.931 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 500956678 XOJNLTDCJWDFAW-OAHLLOKOSA-N 419.500 0.605 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCCC2=O 504662219 SIPVPXHCFIHBRV-CYBMUJFWSA-N 420.429 0.989 30 20 HCED N#Cc1cccc(F)c1CC(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 505571205 WKEBNPGZOGYVRQ-UHFFFAOYSA-N 416.434 0.999 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508478358 QZNDTZIFLAALEG-AWEZNQCLSA-N 419.511 0.877 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 508847722 VZFGSEKFAIFFCA-HNNXBMFYSA-N 408.528 0.704 30 20 HCED CN(Cc1ccccc1NC(=O)C(=O)NCC(=O)NCC#N)C(=O)c1cccs1 509015481 LIFRWJSOEGOTBD-UHFFFAOYSA-N 413.459 0.715 30 20 HCED CN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 509164931 JDADSKLJFQUIFP-LLVKDONJSA-N 402.454 0.511 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c1C#N 518354681 BCDQELNZNILTJV-UHFFFAOYSA-N 407.434 0.643 30 20 HCED C[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 523394973 YZAHKUCPKYFFAQ-CRAIPNDOSA-N 413.478 0.848 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccc(OC)nc1 524274834 BARWCNOURCXPJA-UHFFFAOYSA-N 424.457 0.999 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cc(C#N)ccc2C)c1 524452426 SAQKKCRTDSADSU-UHFFFAOYSA-N 422.488 0.692 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(N)=O)c2=O)n1 531655426 SZBCDGAALJSPMC-GFCCVEGCSA-N 414.487 0.307 30 20 HCED COC(=O)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 531704050 SQZHMOLMZMYTBW-ZDUSSCGKSA-N 409.464 0.406 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cncc(Br)c2)CC1 535283853 CRCNDIRSPHMITM-UHFFFAOYSA-N 410.272 0.229 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n(CCC#N)n1 535570450 VSQAWBGGMWKUSM-ROUUACIJSA-N 410.478 0.795 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(OC(C)C)c2)CC1 545485347 JWJNEDYMHPXBIN-UHFFFAOYSA-N 418.494 0.867 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 548617107 IXUWVVPRGLTMAO-GFCCVEGCSA-N 417.874 0.157 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 550501779 WYIHVPPKAZRXTB-HXUWFJFHSA-N 419.485 0.899 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1 550509352 FYNMCPMQDFEQEM-UHFFFAOYSA-N 414.554 0.606 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1=O 550902190 MRVUKGJPGXWTEJ-WBVHZDCISA-N 415.494 0.168 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCCn3ccnc3)C2=O)cc1 551638088 DADFLIOLADGQGP-GOSISDBHSA-N 408.462 0.568 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 552421842 OUYGLCLTDNFHPX-QGZVFWFLSA-N 419.507 0.346 30 20 HCED 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CC(C)(NCCC#N)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825664503 HQOSCMIPZVBGGZ-NSHDSACASA-N 403.464 0.425 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnccn4)CCO3)C2)c1 1830966604 DFASODJPFVJPDJ-JOCHJYFZSA-N 421.457 0.661 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCCC3)C2)C1 1831406427 OBCXFVVDCURLBS-QFIPXVFZSA-N 423.554 0.912 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1831418696 FHELCYXMOGXHSU-HLIPFELVSA-N 410.511 0.585 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1831427839 WCGQSUXHPZXSJE-YWZLYKJASA-N 404.467 0.446 30 20 HCED CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832314205 QGAWQQSVLCLEDF-UKKLRFBMSA-N 424.542 0.730 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833204775 FZZDRLUZVQEETE-AUUYWEPGSA-N 424.885 0.791 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnnc(Cl)c3)CCO2)C1 1833209945 CRPMDIMTGLTFJW-BDJLRTHQSA-N 400.888 0.518 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1833465723 QQXYPBUERYIHSF-INIZCTEOSA-N 401.511 0.562 30 20 HCED COC(=O)CSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1 1833480146 GTZSWYRERRITKL-CYBMUJFWSA-N 417.597 0.783 30 20 HCED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)c1 1834440338 MDIJHMNONLOMFA-QFIPXVFZSA-N 423.473 0.604 30 20 HCED CC(C)n1nc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1C(=O)O 1834756431 WSQXBEXQTBRGGV-IBGZPJMESA-N 419.438 0.146 30 20 HCED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835385835 VMMOMXYMWHBHKI-JOCHJYFZSA-N 421.538 0.093 30 20 HCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1835621368 BXJGLLJEAOXHCE-KDOFPFPSSA-N 412.512 0.590 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2)C(F)(F)F 1835798136 MPVYQISUHKWLTP-HNNXBMFYSA-N 420.413 0.914 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836049541 VQYBSCYEOONDQD-FQEVSTJZSA-N 420.535 0.785 30 20 HCED CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836835039 KFMOSFPFBCMUAR-UHFFFAOYSA-N 401.467 0.635 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1837490833 CGBAZKGEANCRNX-NRFANRHFSA-N 416.478 0.178 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1837660171 JARRUFNSOSHTIP-OAQYLSRUSA-N 424.542 0.706 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1839224818 ZFDIAKCQQDXLAX-BEFAXECRSA-N 405.455 0.348 30 20 HCED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839423505 GKTXDJZUVWZQNF-VBKZILBWSA-N 420.897 0.876 30 20 HCED Cc1ccc(/C=C/C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840044018 IHXFFVXKHWGSRZ-DPZZJQGRSA-N 418.471 0.614 30 20 HCED Cc1cccc(F)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044234 RMMBUAFQRPULEJ-HXUWFJFHSA-N 404.394 0.292 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840435028 NSAPDJUCDFDIKR-NRFANRHFSA-N 417.510 0.586 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840488777 ZSNDHDAMFZHLJZ-FOIQADDNSA-N 403.483 0.759 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840811727 UCPWATLBVFWWJH-UZLBHIALSA-N 406.483 0.051 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1841055337 VCMHLEBNKHJJOJ-KVPVBUAESA-N 414.506 0.449 30 20 HCED Cc1nc(C(=O)N2CCCC23CN(C(=O)/C=N/N2CCCCC2)C3)c(=O)[nH]c1C 1842183151 WKCRKZFKVMLDDY-SRZZPIQSSA-N 400.483 0.675 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CSC(=N)N)C2)c(C#N)c1 1842864835 IGBUXJIUTRLYET-UHFFFAOYSA-N 401.492 0.939 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844230019 KGUAJBOSSDGIQM-CRIHDISZSA-N 409.487 0.426 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CCOCCOCCOC)C2 1844239326 ACVSGVWLPISJDT-KRWDZBQOSA-N 412.527 0.833 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CCc2nc(N)n[nH]2)C3)ccc1F 1845202910 BJPPNLNPTWGIIP-UHFFFAOYSA-N 411.441 0.776 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1845961013 LHOOEBCTJBLGDU-UHFFFAOYSA-N 417.487 0.158 30 20 HCED C=CC[C@H](CC(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1)NC(=O)OC(C)(C)C 1847108471 QZWYAPSSWWXXAJ-CQSZACIVSA-N 423.514 0.718 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 29053923 BSRGKVHPTWXSER-KRWDZBQOSA-N 405.455 0.834 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCNc1ccc(-c2ccccc2)nn1 409483898 JYTAAEZHMFDZGQ-UHFFFAOYSA-N 404.496 1.252 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 409504772 UNHZCALAVINMKY-GOSISDBHSA-N 408.524 0.917 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C 409516349 WUYBVSYBNUAUNI-KGLIPLIRSA-N 404.533 0.881 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cc(Br)c3c(c2)OCCO3)CCO1 409577257 QVBBTGMBCBCLJM-NSHDSACASA-N 418.269 0.779 30 20 HCED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)C1=O 410312489 CUZBESCBKZIJRR-CQSZACIVSA-N 413.521 0.628 30 20 HCED Cn1c(NC[C@@H](CO)Cc2ccc(Br)cc2)c(C#N)c(=O)n(C)c1=O 428686541 ZGYIVKNHWSTRMA-LBPRGKRZSA-N 407.268 0.981 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)cn1 434809725 VWIHQGOVJAMXRS-UHFFFAOYSA-N 415.454 0.651 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C2)nn1 435102709 JCZYQEKNWMBSFT-CYBMUJFWSA-N 413.438 0.905 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]3C3CCOCC3)n2)cc1 442408912 OZCYYMVHDUEYTM-GOSISDBHSA-N 408.462 1.554 30 20 HCED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442522166 JJTMJNWGRUJBLV-OCCSQVGLSA-N 401.398 0.820 30 20 HCED Cc1cc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1S(N)(=O)=O 446990927 UVGJQNLWMQCGPL-UHFFFAOYSA-N 414.491 0.941 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCOC[C@H]2C#N)c1 471226661 MKQVRUNLDITCHN-CQSZACIVSA-N 410.496 0.889 30 20 HCED Cc1nn(C)c(N2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1C#N 472098397 ZRMAXZWQHJFQDC-SFHVURJKSA-N 403.446 0.926 30 20 HCED CCOc1ccc(NC(=O)c2cnn(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 474289228 DFHFFVOAJBYEMD-UHFFFAOYSA-N 419.463 0.964 30 20 HCED C=C(C)[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 476214612 DVIGMPVDCONISI-OAHLLOKOSA-N 409.480 0.994 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 479308692 PDUJCUYRCNXOHV-ZBFHGGJFSA-N 409.464 0.358 30 20 HCED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cn1 479518078 ZDBGWWYDXIGUMQ-UHFFFAOYSA-N 410.887 0.887 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OC 481591453 LDMJOEKLYBSDME-AWEZNQCLSA-N 424.472 0.610 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 484391390 PKZJPWSDZLTKSW-KRWDZBQOSA-N 413.478 0.660 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1 484994885 LEOBYLWDWBIEBO-YCRPNKLZSA-N 415.446 0.579 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(CC(F)(F)F)C2)cc1 486296316 SDSQEKPCBWDFQU-UHFFFAOYSA-N 404.370 0.683 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486490357 SLUODNPKHKLNSZ-IAGOWNOFSA-N 419.507 0.240 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(=O)N(CC(F)(F)F)C3)C2=O)cc1 489116466 MFFKRMBASUSMLK-CYBMUJFWSA-N 423.351 0.954 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)CC2)c1 490828019 VSFBEHOEQWAXBX-UHFFFAOYSA-N 422.445 0.495 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1 492177426 FWWIDPWYSPHYJN-GOSISDBHSA-N 407.430 0.495 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCOC1 494565467 SRDFGCOCEUWHOX-MRXNPFEDSA-N 406.508 0.359 30 20 HCED CN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)(C)C1 501802930 GVHYJPNEJHCZLR-UHFFFAOYSA-N 419.551 0.417 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)C2=O)cc1 502264723 HHJLHUSVPWMVCH-OKZBNKHCSA-N 423.473 0.439 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 505037233 AYOHHZLUAGJZOV-CJNGLKHVSA-N 418.479 0.173 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1C 518704683 YSSNJNOMSHVMNM-UHFFFAOYSA-N 412.515 0.287 30 20 HCED COc1ccccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c1=O 524281371 SSHNUNNWPNNYFZ-UHFFFAOYSA-N 413.499 0.912 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1ccccc1 531713046 ZWLLFPXUAZPURG-GDBMZVCRSA-N 403.460 0.781 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 532998653 ZJPQUVVWAMDOAM-UHFFFAOYSA-N 417.514 0.446 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)c1 537313300 ASWKOGWBSRNLES-UHFFFAOYSA-N 416.463 0.279 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCc4ccccc4C3)CC2)c1C#N 555720594 WBGHZVOEIROTJD-GOSISDBHSA-N 406.490 0.923 30 20 HCED C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)S1(=O)=O 558609592 HTKQMCCIWMJNCZ-CKEIUWERSA-N 404.492 0.876 30 20 HCED CN(C)C(=O)NCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 565910409 SSPLXOKIURTYLM-HNNXBMFYSA-N 418.473 0.512 30 20 HCED CCCNC(=O)NC(=O)Cn1cc(I)c(C)c(C#N)c1=O 565920089 OPBZCAASYPBVFE-UHFFFAOYSA-N 402.192 0.869 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OCC)c(F)c2)c1=O 571372075 OIYJDDQMSVYOFV-UHFFFAOYSA-N 419.478 0.733 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)N[C@H]2CCOc3ccccc32)n(CCC#N)n1 581678800 ZOBBJXXJKUURMX-HNNXBMFYSA-N 410.434 0.800 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1 589272574 URIHTVPMPCVHLD-GOSISDBHSA-N 417.466 0.908 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)cn2)c1 609956870 CBHMWBFTBPUUAZ-UHFFFAOYSA-N 407.386 0.949 30 20 HCED Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1S(N)(=O)=O 610693919 HPXKGQCZXGCPBE-ZDUSSCGKSA-N 400.464 0.655 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1OC 729428265 BNSBNWUXYPVKMG-IPYPFGDCSA-N 421.475 0.420 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732444927 UEQFSBHOZHRNHF-MSUUIHNZSA-N 421.479 0.099 30 20 HCED COC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737239848 OQFXSEDLFRBGTR-XSFVSMFZSA-N 410.452 0.117 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 747993173 CJZXLASSOHKBIC-UHFFFAOYSA-N 412.368 0.949 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)C1=O 748524132 WCFPGOYJVRGRAZ-UHFFFAOYSA-N 412.324 0.894 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(CC)CC)cc1 748746373 WSSMSSAPIHERRB-MRXNPFEDSA-N 409.533 0.982 30 20 HCED Cn1c(N)c(C=Nn2c(S)nnc2COc2ccc(F)cc2)c(=O)n(C)c1=O 749809672 IUTBVPBHZFAFLI-UHFFFAOYSA-N 405.415 0.147 30 20 HCED CC(C)N1C(=O)C[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751398839 FIFDMBDIKAOHIC-YPMHNXCESA-N 406.464 0.156 30 20 HCED CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 751923126 HWPJAFDNYZMKBJ-CCMDFETQSA-N 403.508 0.727 30 20 HCED COC(=O)c1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 758641928 DBHDPHAMIMFRTJ-YPMHNXCESA-N 412.468 0.849 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760378132 OXJWONBKNSHEGK-UHFFFAOYSA-N 418.906 0.695 30 20 HCED CCOC(=O)N1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 765349261 MBPPPGTZUHJZAK-CQSZACIVSA-N 408.480 0.916 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(=O)n(C)[nH]1 765391575 HEGLCAIDWKPGBC-GFCCVEGCSA-N 407.452 0.305 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1 769591214 YNIJRUAEFZNRID-CQSZACIVSA-N 401.510 0.434 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3CCSCC3)no2)cc1 771390393 UDFQLRZSXLAOAL-UHFFFAOYSA-N 406.489 0.766 30 20 HCED C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 780231496 ARXIIYSGTLATBP-UIRSRIPUSA-N 422.507 0.667 30 20 HCED CN(C)C(=O)CC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 781369761 FHEHAQGXDJJSMA-UHFFFAOYSA-N 406.508 0.832 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 786551436 FDICAFUBACWOGR-HNNXBMFYSA-N 419.441 0.888 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 789184596 UOAICAFBQXFELU-GFCCVEGCSA-N 405.440 0.634 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccnn2-c2ccncc2)n1 789788693 MTXHZWJHYQRBSL-UHFFFAOYSA-N 407.434 0.711 30 20 HCED CCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(C)c2)c1=O 794595907 ORPUBGWEWZDPSG-OAHLLOKOSA-N 400.504 0.942 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 798061135 VLMOCOOAIYWECE-CRAIPNDOSA-N 421.519 0.923 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)C(C)C 799272681 KGAHRECVDRXGNX-MRXNPFEDSA-N 400.479 0.795 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 799287678 SSHAVSKKFCZUAG-HNNXBMFYSA-N 423.491 0.309 30 20 HCED CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)C(=O)NC1CCN(CC#N)CC1 805061457 RGXVVZFTXDGULN-UHFFFAOYSA-N 403.430 0.367 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 805324724 TUBWYNQCMGOLGK-UHFFFAOYSA-N 403.416 0.986 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 816129565 CIHGNECLGMUREO-STQMWFEESA-N 420.403 0.447 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc(C(F)(F)F)n1 816409291 IYHUSLZRNYAVFK-UHFFFAOYSA-N 403.342 0.833 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 920767632 FADWWMBRRDPPSZ-LJQANCHMSA-N 420.491 0.079 30 20 HCED C=CCNC(=O)[C@@H](C)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1105717446 PKGNKCLQYDXMGP-IBSXHGQTSA-N 403.523 0.792 30 20 HCED C[C@H]1COCCN1C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1298693338 NFANUZFVKXFTDF-HNNXBMFYSA-N 406.508 0.548 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1309577752 OQRRAXUEWUFVJJ-LLVKDONJSA-N 408.477 0.262 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 1319755439 QDFRCCCWFPINFG-DZGCQCFKSA-N 402.480 0.354 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNCC(C)(C)S(C)(=O)=O 1321366855 PKYOYRXVTGCQAA-LLVKDONJSA-N 410.949 0.951 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCNC(C)=O)C1=O 1338289627 MVMZHNWFUWHFFB-CQSZACIVSA-N 405.480 0.379 30 20 HCED CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1442331418 VTGREDVYZAAEON-GFCCVEGCSA-N 406.826 0.442 30 20 HCED CC(=O)N[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1473567839 ZFHYAPAHEAQUSX-HNNXBMFYSA-N 412.450 0.665 30 20 HCED CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)CCOC1 1516130936 KPAQTBRXOQUBAL-YWZLYKJASA-N 420.514 0.951 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CC2)n1 1543066793 JBRVPRFXIPXHKW-OHZJNBGDSA-N 403.512 0.780 30 20 HCED Cn1cc([C@@H]2CSCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1635907975 JGNAHLXBJGWFDF-INIZCTEOSA-N 405.505 0.887 30 20 HCED CCOC(=O)c1c(NC(=O)N(C)C[C@H](O)CN2CCOCC2)c(C#N)cn1CC 1678537510 MRHUSRWXZKXSHI-HNNXBMFYSA-N 407.471 0.713 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCS(=O)(=O)C2)C1 1761543605 XBHBYLQYRXYJMI-HBUWYVDXSA-N 406.512 0.794 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1766370115 VBEVYVBNFGOAIR-INIZCTEOSA-N 409.450 0.936 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)cn1 1767465857 XFBBXFFSCCLMMB-AWEZNQCLSA-N 407.500 0.621 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccn4cn3)C2)C1 1778042280 AFPBWIKIAMENQZ-LXHZQTKUSA-N 423.473 0.636 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1778967566 LOGGNXOPXWIZGV-BTYIYWSLSA-N 416.478 0.197 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1779020054 GCCTWZXMFIHPJY-CCULFSDZSA-N 401.467 0.702 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100120 SJQVLEUJDOEEJV-CGRIFOKNSA-N 409.483 0.936 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1779259865 ZRRDWYCQIGUXJW-GUXCAODWSA-N 410.515 0.922 30 20 HCED CC(C)[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360636 GVIAQWXMLVZFBQ-VWFYRTMBSA-N 408.543 0.989 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779406198 FCFHYZFULXOQFZ-HXUWFJFHSA-N 401.467 0.513 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)c2cc(CO)on2)C3)c1 1780178924 BAHFODMAAYJKTK-YLJYHZDGSA-N 413.434 0.808 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1)C(F)(F)F 1780436625 RAQMORGRFFBXCJ-INIZCTEOSA-N 402.373 0.991 30 20 HCED N#CCc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)Cn2cnnn2)C3)cc1 1781010867 QXDJIRJNSMPPRO-WIYYLYMNSA-N 423.477 0.567 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1781271044 WBKZPJNGVACZSL-IBGZPJMESA-N 405.455 0.008 30 20 HCED C[C@H](Oc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782572879 DOXLYOWWAWWLKD-LUQKVYGDSA-N 415.446 0.451 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1783442122 ZVHLORWLBHARNR-SDDUFFJTSA-N 404.463 0.198 30 20 HCED C[C@@H](Sc1ccccn1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567785 ZNQWTQDOPAYHHI-KUHUBIRLSA-N 403.460 0.480 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783886570 PTWZBWRDKPTAGU-CRTZDJKQSA-N 422.507 0.141 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783894878 QBFJSJWOFROANS-JLTOFOAXSA-N 416.503 0.928 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1783925295 UQHWWFQTAWAFSP-VXKWHMMOSA-N 414.458 0.484 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)CCC1 1785362976 NGSXDKRCNBKUHR-NRFANRHFSA-N 402.495 0.913 30 20 HCED CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)C1 1786367289 HDSBNOOWHAVUNM-BPUTZDHNSA-N 406.483 0.747 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786748118 CAYUPFUZHMMHHE-UFYCRDLUSA-N 405.539 0.882 30 20 HCED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1787407641 JZMVNANSDLJODI-OKYOBFRVSA-N 412.490 0.465 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnc[nH]3)[C@H]2C1 1787418645 XYHAHDPBAZMXAX-XIRDDKMYSA-N 404.467 0.441 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)N(C)C(C)=O)C[C@@H]21 1788572547 IXXVLSCLUTYRPC-NBZXXOOGSA-N 409.527 0.406 30 20 HCED COC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3(O)CCCCC3)[C@H]2C1 1788637078 BUHUWHKPMQRLRX-ULQDDVLXSA-N 421.494 0.021 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3CCOC3=O)C[C@@H]21 1789956566 PHTFDQABHCESLY-QZWWFDLISA-N 424.498 0.609 30 20 HCED COC(=O)C12CC(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC5CC5)C[C@@H]43)(C1)C2 1791013304 PVPFBYDFQGRKCQ-PCIKLCOZSA-N 400.475 0.723 30 20 HCED COC(=O)CSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1793364971 KOYKHNDEBQXTQF-HGKCTWBKSA-N 417.487 0.668 30 20 HCED Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)no1 1794055400 ZLDLUORAJSFHQM-UPHUGPLXSA-N 409.446 0.625 30 20 HCED O=C(/C=C/C(=O)c1cccs1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COCCO)C2 1796446887 LTTWXXMAIURXEG-GFYLOJAKSA-N 408.476 0.086 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCOC1)C2 1797818204 KMSGEMFPGDOKIH-XAUNOWPTSA-N 409.483 0.532 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798519309 VTZYUFVNGNEVPD-XDSBQNSDSA-N 404.467 0.488 30 20 HCED COc1cc(C#N)cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)CC[C@@H](N)C(N)=O)C3)c1 1799282894 PALNXAQHNCACCH-KYHPRHEASA-N 413.478 0.411 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2nccn2)C3)c(Cl)c1 1799751280 XABVKLHAOGXCNX-ZSBFGKGUSA-N 414.853 0.707 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2=NNC(=O)C2)C3)c(Cl)c1 1799751903 HFHUIZDXJDVINC-DPIQGUFMSA-N 415.837 0.291 30 20 HCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C1=NN(C)C(=O)CC1)C2 1800105610 JKNMXUCYDHCRRL-QDMKHBRRSA-N 404.467 0.742 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H]3CNC(=O)C3)C4)c2c1 1800876535 YGLQDOYNCMJQQD-APIJFGDWSA-N 406.446 0.822 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1801006588 UMHHJLAUVSADJU-NNNWTRQLSA-N 415.446 0.377 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CNC(=N)N)[C@H]2c2cccnc2)cc1 1802578840 ZDKQJHRJXYFCMP-RXVVDRJESA-N 419.489 0.685 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCN(C)C(C)=O)[C@@H]1c1cccnc1 1804061063 DIJQZPKSTYGGLH-BSIFCXSSSA-N 414.506 0.994 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)C1 1804858112 ZZQCLLXELSVJPW-SEDCSLTFSA-N 401.507 0.968 30 20 HCED CN(C)c1ncc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)o1 1822199585 QCTRMYOJUJWNCK-GFCCVEGCSA-N 400.395 0.858 30 20 HCED N[C@@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)c1cccnc1 1822200370 KURWUEQSCFDLPD-GOEBONIOSA-N 410.434 0.975 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828961169 KLZSSGPDCRHABU-QRWLVFNGSA-N 420.535 0.716 30 20 HCED CC(C)(C)OC(=O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053231 IKMCTPKDXLGNPP-HXUWFJFHSA-N 409.483 0.724 30 20 HCED CN(CC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)C(=O)c1ccccc1 1831144178 VTOKPWBKPXAXKJ-OAQYLSRUSA-N 414.462 0.129 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3CC)C2)C1 1831391146 IHJYPIULXBRVHF-MGPUTAFESA-N 405.451 0.345 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831397638 UOHKMAUREQABOU-VGSWGCGISA-N 411.458 0.667 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)C(F)(F)F)C2)C1 1831402158 PLURLUQQHAHXKN-YOEHRIQHSA-N 404.385 0.600 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1831418585 DTAZZZYDLISXEN-IERDGZPVSA-N 419.478 0.046 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]nnc3C)CC2)CC1 1833475509 DLQFJKZRHIYHHZ-HNNXBMFYSA-N 404.515 0.889 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833828006 XWVRXZHIZRCDHJ-OAQYLSRUSA-N 416.478 0.876 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834187681 UNHFOOKOYVURAT-VQIMIIECSA-N 409.508 0.812 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834413638 HPKBQRYGGMARHN-UTKZUKDTSA-N 420.510 0.546 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncc(Br)cc1C)CCO2 1834551543 WQNDFKISKUBRPM-SFHVURJKSA-N 422.279 0.856 30 20 HCED CO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715903 SKTTWQZMNXOFIS-MRXNPFEDSA-N 407.559 0.875 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834765569 RGJJWWOFQOFKMP-OWMRDYPQSA-N 416.434 0.127 30 20 HCED CCOCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834984902 OFQLYGLGICPSII-NRFANRHFSA-N 408.495 0.178 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1837402189 FEFCPQAXVUFFLI-LAUBAEHRSA-N 419.478 0.430 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559769 GYMZBDXPOCBDLZ-BWABGXRHSA-N 417.462 0.193 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1837665920 OCFAUHAIXGWBLB-XGHQBKJUSA-N 409.527 0.158 30 20 HCED N#Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)CNC(=N)N)CC3)CC2)cc1 1837844613 GJBOTLLEXSDDHV-UHFFFAOYSA-N 412.494 0.654 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(N3N=C(C)CC3=O)cc1)CCO2 1838993952 ZUFDVYLQJROONH-JOCHJYFZSA-N 424.457 0.502 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1839174106 GBJDVQYIYBPECJ-NRFANRHFSA-N 417.462 0.661 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839224909 RPPZMZRCYVUAQJ-PXNSSMCTSA-N 421.498 0.449 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839713469 NMUVXXOAOHRQNN-HSZRJFAPSA-N 422.485 0.700 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc4nccnc4c3N)C2)C1 1840172820 KTCRBQQGPVBWRK-IBGZPJMESA-N 417.491 0.920 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1840175113 LUTKUQYTLZFPNI-IBGZPJMESA-N 405.407 0.947 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1840293301 RSBMKNGJDXESHI-LJQANCHMSA-N 419.438 0.582 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840841700 PZNBZILUSNYGLQ-LJQANCHMSA-N 404.492 0.439 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C(=O)OC)(C3)C4)C2)C1 1840844497 YZWMXHGIKNHGNO-CBNMVNINSA-N 404.463 0.200 30 20 HCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841235708 HUESBHYPAXZTNQ-AWEZNQCLSA-N 409.483 0.197 30 20 HCED COCCn1ccc(C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)n1 1842919950 UDXXJGWLDDHIOI-UHFFFAOYSA-N 402.499 0.628 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)c(O)n1 1842944353 QHWTUEUKPHCKDP-INIZCTEOSA-N 415.494 0.316 30 20 HCED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1844267317 MFWCLYRQGLFACD-UHFFFAOYSA-N 417.510 0.927 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CCCn2c(O)nc3ccccc32)C1 1845013416 UGARCTXFRAXXIY-UHFFFAOYSA-N 410.430 0.814 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)CNC2=O)c1 1847468156 CAMZNFDCDONSPA-IRXDYDNUSA-N 409.446 0.244 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](S(N)(=O)=O)C3)C2=O)cc1 409666779 PGZLDLUPOZIPJX-JKSUJKDBSA-N 405.480 0.122 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n1 426808938 BKWCLIYFDIFUHF-CHWSQXEVSA-N 414.447 0.113 30 20 HCED CS(=O)(=O)c1cccnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 428109031 WIKKOKLYTNHGKZ-UHFFFAOYSA-N 406.489 0.868 30 20 HCED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)c1=O 434913543 GSHBFWROSQOBSG-UHFFFAOYSA-N 411.466 0.496 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)C2)cc1 442246444 BHOZNRDBSQZMQM-UHFFFAOYSA-N 404.386 0.762 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cnn1-c1cccc(C#N)c1 443692700 XNCBGLDFQOVTBV-MRXNPFEDSA-N 421.461 0.871 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 461370616 GISUSECOCPEPGX-UHFFFAOYSA-N 424.482 0.172 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N 468648393 KQVONPJSMXRHAD-MAUKXSAKSA-N 414.528 0.274 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)c1C#N 472186445 ADPMXZWOAYUJMZ-UHFFFAOYSA-N 413.467 0.087 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(CCn3cncn3)CC2)c1 476413619 LCFNNHXCYRSSNJ-LJQANCHMSA-N 407.478 0.485 30 20 HCED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 477189349 QCTIFFMLXMBEPW-UHFFFAOYSA-N 403.504 0.973 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)n2)c1=O 479378681 PGNFFTMMGVFNKJ-CYBMUJFWSA-N 414.487 0.154 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 481260442 UFFCLYSASHFPMY-WBMJQRKESA-N 422.532 0.747 30 20 HCED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cscn2)c(=O)n1C1CC1 484666339 AKZLQFQPLRVMOE-UHFFFAOYSA-N 404.542 0.780 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)cc2C1=O 501330954 RJXJCQLXABPNBX-UHFFFAOYSA-N 412.446 0.278 30 20 HCED C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)CC(=O)N1CCOCC1 506959913 BHKDTVUBKMEBFE-UHFFFAOYSA-N 424.454 0.815 30 20 HCED N#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 507981770 ZJVYDHQHPWIXTM-UHFFFAOYSA-N 408.480 0.188 30 20 HCED C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 508803859 ZOYHFUGWYABTGJ-INIZCTEOSA-N 423.477 0.812 30 20 HCED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508923069 SRYSRGLWLDLPHB-UONOGXRCSA-N 414.441 0.890 30 20 HCED N#Cc1cc(N(C#N)CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1F 509062751 BNVOCVHZZXHCSO-INIZCTEOSA-N 405.455 0.316 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 509415940 NQWGHSGQDDYZSD-LBPRGKRZSA-N 406.555 0.970 30 20 HCED Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)NCC(=O)NCC#N 511898269 XUCJTQCGRDNYKG-GFCCVEGCSA-N 402.377 0.785 30 20 HCED Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1S(=O)(=O)NCC#N 519455218 GBUZJMBIDLSPCQ-INIZCTEOSA-N 400.460 0.623 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)c1 520998933 OYYNWFUYTBFREE-UHFFFAOYSA-N 406.512 0.504 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 521169552 VJPXJQKMKXOWHG-MRXNPFEDSA-N 401.510 0.466 30 20 HCED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 523134519 LVAFUBAFVBZIKE-UHFFFAOYSA-N 423.369 0.779 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 532704120 BRKUIEASJWEADU-UHFFFAOYSA-N 421.567 0.653 30 20 HCED COc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cc(C)nn3CCC#N)C2=O)cc1 533003333 VFFFXMWCAHXOIQ-KRWDZBQOSA-N 424.461 0.970 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCNC(=O)C(C)C)cc1 535240520 XEBGUORTTISFJO-UHFFFAOYSA-N 424.523 0.710 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCCS(=O)(=O)C3)n2)c(F)c1 542070560 WDFDNAFKTVFZLE-LBPRGKRZSA-N 405.411 0.515 30 20 HCED CC[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC(=O)N1 542560213 MINALWYJMRKALI-CVEARBPZSA-N 404.492 0.696 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548370274 JXUMIEJGSGVWFO-UHFFFAOYSA-N 416.463 0.835 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)c2nccn2C)CC1 550230914 BHIGZMIZQDXGIA-LJQANCHMSA-N 424.505 0.072 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)CC1 554827262 BYCPNVHNDAZQLJ-UZLBHIALSA-N 415.519 0.773 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cn2)C1=O 555968752 CULQEUNSLQGTNL-LBPRGKRZSA-N 413.415 0.662 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cn(Cc4ccccc4)nn3)CC2)n1 556065155 XEDOOHZXDLUTIJ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1ccc(Oc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(Cl)c1 557479568 ZDAVSJIVEKVNHH-LSCFUAHRSA-N 403.782 0.755 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC(=O)NCC#N 563558209 JDVUMPXYZFDQBN-SFHVURJKSA-N 402.476 0.899 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 566636555 QFPSKWFNQLBSNU-IBGZPJMESA-N 413.522 0.999 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 571079458 RNOYJUKQSNWOHQ-GOSISDBHSA-N 421.505 0.726 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC(C)(C)C)nc2)CC1 574435250 PXWAKBOGLVZVSI-UHFFFAOYSA-N 417.510 0.322 30 20 HCED C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 583708703 QVRLQWBTKGGPEG-GASCZTMLSA-N 417.558 1.127 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 588292186 FLTMXZSQFVJYHJ-CQSZACIVSA-N 407.496 0.610 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCNS(=O)(=O)CC)cc1 606061491 TXMRCTZHBLAUBZ-UHFFFAOYSA-N 411.484 0.378 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCO1 609282660 FGLWXUFMQLQVMV-ZDUSSCGKSA-N 401.448 0.822 30 20 HCED COC(=O)CN(CC#N)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 609992521 ITHQFOSXSVIBQV-UHFFFAOYSA-N 411.436 0.041 30 20 HCED N#Cc1cccc(C2(NCC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)c1 611395957 HCQGLHLHYIUEDU-UHFFFAOYSA-N 411.506 0.140 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 612203605 FFPYHLYSQMSKSU-KRWDZBQOSA-N 416.478 0.845 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cn2)cc1 615391454 GRVPRMPZNNWMSV-HNNXBMFYSA-N 420.385 0.447 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1CC(N)=O 618094273 RADSVDWSPNQTSG-UHFFFAOYSA-N 416.890 0.162 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(C(N)=O)cc1 726577299 MUKBZOSEYKFKJM-UHFFFAOYSA-N 414.446 0.959 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(=O)OC)C1 728539322 MHEPBIKYDJGIPC-GJZGRUSLSA-N 423.491 0.684 30 20 HCED CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732898074 IHVJJKLJJMXLRT-FJGOLAJPSA-N 410.496 0.715 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734569523 JXVNKUTWUDHMRI-QGZVFWFLSA-N 417.443 0.866 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)NC(C)C)CC1 743887991 JTNPKBDUYUWCMY-UHFFFAOYSA-N 404.442 0.445 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)ccc1F 753274671 LZWPRJLVIHVNRW-LBPRGKRZSA-N 419.500 0.301 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 757898358 OOASEXSPYIHLEG-LBPRGKRZSA-N 412.468 0.945 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1CCOC 760378577 QTYSFAFRMYEVOM-UHFFFAOYSA-N 404.517 0.529 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 761009078 AYNWACIJIQNIRD-UHFFFAOYSA-N 420.422 0.761 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1CCOC 767955988 MTTKBPKIHNTIAD-UHFFFAOYSA-N 405.476 0.032 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 770737163 DJTJYEAXLVABHP-OAHLLOKOSA-N 418.444 0.601 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1cc[nH]n1 770820409 AADACBBCSGCJLY-UHFFFAOYSA-N 411.422 0.309 30 20 HCED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCOC[C@@H]2C#N)C1=O 771379172 OEELIOZRBVXXES-SUMWQHHRSA-N 421.251 0.967 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCc1nc(-c2ncccn2)no1 781598986 GMNRTOJVUCQWBA-UHFFFAOYSA-N 402.367 0.975 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(C(=O)NC)ccc2OC)c1 783462091 IQQSGXZPQRCTFE-UHFFFAOYSA-N 408.414 0.730 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 783480528 ROEKXUHEMRLKBL-HNNXBMFYSA-N 405.476 0.990 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCOC[C@H]1c1noc(COC)n1 785330867 DYQJDFHNWQMMEW-AWEZNQCLSA-N 418.381 0.906 30 20 HCED C[C@@H](CC(=O)OCc1nc(-c2nc[nH]n2)no1)/N=C1/NS(=O)(=O)c2ccccc21 787722523 RCVGXDTXJHWMSE-VIFPVBQESA-N 417.407 0.415 30 20 HCED C#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 801606574 VMRGWDHTZVMABL-UHFFFAOYSA-N 422.507 0.641 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)NCCS(=O)(=O)N3CCOCC3)C2)c(F)c1 804326787 AZTOGQVNYKWWRS-HNNXBMFYSA-N 410.471 0.302 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@@H]1CCCO1 808814749 CYTQMHFEOONOGU-BZSNNMDCSA-N 415.446 0.222 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1)[C@@H]1CCCO1 809307195 AIBJTIAIRUZQJY-MSOLQXFVSA-N 401.463 0.914 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 809503788 JNPCGZZOJDAYIP-UHFFFAOYSA-N 415.494 0.196 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)NCCNc2ccc(C#N)cn2)cc1OC 810088117 SZJSUCHZEMTCRK-UHFFFAOYSA-N 419.463 0.477 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(C)c2)c1=O 812932917 KZTJLQHQJPJEAB-UHFFFAOYSA-N 415.515 0.901 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@@H](O)COc1ccccc1Br 849096112 AAYZINKFWYTTPA-CQSZACIVSA-N 415.332 0.686 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)c2ccco2)cc1 915770367 FABLHSOSPBTYES-HNNXBMFYSA-N 407.448 0.874 30 20 HCED CC[C@@]1(C)NC(=O)N(N=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1=O 916331587 VDANXEGVFLMMAQ-HXUWFJFHSA-N 418.450 0.987 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(CC(=O)NC2CC2)c1 918352714 FKKKCKPVBRTNNP-UHFFFAOYSA-N 416.463 0.229 30 20 HCED Cc1nc(O)c2c(n1)CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 1149671016 IQVOUJLEGNQJCI-JTQLQIEISA-N 401.448 0.850 30 20 HCED C=CCNC(=O)NC(=O)CN1CC=C(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1160714146 HPOHSGBVKSAWNH-BCDMZGRMSA-N 402.495 0.560 30 20 HCED CC(C)(C)N1C[C@@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1167409939 NFZLOJROWYYIRG-CYBMUJFWSA-N 406.508 0.878 30 20 HCED C=CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC12CCOCC2 1186424180 GRGQAWLERYQRDQ-UQZKUAJDSA-N 403.523 0.557 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)CN(C)C 1288825893 NIBTWKQCMPHGRM-SUMWQHHRSA-N 415.539 0.918 30 20 HCED CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1303443832 FIHKIYSVAFONLZ-CYBMUJFWSA-N 411.532 0.543 30 20 HCED Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1304886252 LFHSKYJGEJZOLR-BDJLRTHQSA-N 411.463 0.983 30 20 HCED Cn1c(CC#N)nn(CN(CC(F)F)C2CCN(S(C)(=O)=O)CC2)c1=S 1321396350 RCWLKRSEHXIOBO-UHFFFAOYSA-N 408.500 0.966 30 20 HCED N#Cc1cccc(NC(=O)CCS(=O)(=O)Cc2nnnn2CC2CCOCC2)c1 1339126013 OQJGBNCJMARETP-UHFFFAOYSA-N 418.479 0.915 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1463858006 PXXVFZPZPLQPAP-LLVKDONJSA-N 408.477 0.120 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1541693020 MDOMSMROYHQQSS-NRFANRHFSA-N 411.510 0.844 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1554350129 PDGXETZCLZMGLX-CQSZACIVSA-N 404.496 0.837 30 20 HCED Cc1c(C#N)c(=O)n(CCN(Cc2ccccc2)S(C)(=O)=O)c(=O)n1C1CC1 1641347270 NRHCRQMJXMNYEJ-UHFFFAOYSA-N 402.476 0.987 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CC[C@@H](O)C2)C1 1644461963 NGNUOYDFDOVHLA-NVXWUHKLSA-N 420.535 0.561 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1741805513 XCACETAOAMJLGL-LSDHHAIUSA-N 408.528 0.964 30 20 HCED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1747535500 UQGFOYMRTPXXNR-MRXNPFEDSA-N 408.466 0.509 30 20 HCED CNC(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1748269426 PWNUWBSUEFNJCV-CQSZACIVSA-N 418.479 0.213 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2COCCO2)CC1 1750388919 OLEKRUDUIUKLGR-CVEARBPZSA-N 409.512 0.726 30 20 HCED Cn1ncc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)n1 1767529659 LJNPCPFKLGULSE-SFHVURJKSA-N 401.450 0.604 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)cnc2s1 1777991935 SLOGWWRHKPVQHH-GOSISDBHSA-N 401.448 0.422 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015271 SYFWJCVKUQCPLT-DOAWATSRSA-N 407.515 0.156 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1779098972 NJHXQMGQVFNGMD-LAAGDHCCSA-N 408.499 0.441 30 20 HCED O=C(/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)NC1CC1 1779136621 RMUXPYQSGCOUKG-SZEFBVAQSA-N 414.462 0.363 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(F)nc3C)C2)C1 1779820843 JBAPEOUQTCGRJT-IZRJCCQOSA-N 416.453 0.831 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccnc2C(N)=O)CCO3)c1 1780331986 GUYMFGLAJNVIOS-FQEVSTJZSA-N 408.418 0.138 30 20 HCED COc1ccnc(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1OC 1780446582 NPKMGEPTGMNZTM-FQEVSTJZSA-N 400.435 0.846 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782267558 HFUSHSZNHROUCJ-MXHNKVEKSA-N 411.568 0.981 30 20 HCED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783141802 CVZFZNZYCKAEJV-PXPVJAHISA-N 405.476 0.453 30 20 HCED Cc1ccc(OCCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1783765411 RWORAEQWSMAEAQ-WDSOQIARSA-N 414.458 0.832 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1784393356 PSRFBTIODKVHSC-LJQANCHMSA-N 412.475 0.912 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@@](C)(O)CC(=O)O)C[C@@H]21 1784505332 NVFIVDQMGKQKDI-TYNWYWJLSA-N 412.483 0.173 30 20 HCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1785420539 DLGVSCNRLJQRRM-HRAATJIYSA-N 423.510 0.505 30 20 HCED Cc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)nc2nccn12 1790408740 WXHZBZLSVNEXBQ-ZOBUZTSGSA-N 408.462 0.935 30 20 HCED CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1792528615 BUOKOKUUJVUCLE-JTJHWIPRSA-N 412.490 0.605 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)Cn1cncn1)C2 1792565837 BQSCKEOXTKWKPT-GSBMDQOXSA-N 400.483 0.411 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793384430 ZPSHZLUXMOLXRO-SBJFKYEJSA-N 400.545 0.238 30 20 HCED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCN(C)CC1 1795443691 LTKHVEWAZGXFCD-VTYHHJSWSA-N 418.582 0.982 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795599054 NYHCKWMZLJXLIK-SCAQPMJSSA-N 402.499 0.512 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cnn(C)c1 1795769276 BMMRQDQIOFMGMV-ZMMAXQRCSA-N 404.511 0.515 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798494108 NNKBSUVTGBXZFZ-LEHKBMDKSA-N 406.483 0.844 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nsnc1NC)C2 1799302002 RQSSCWPHIOUDEO-DABQJJPHSA-N 423.495 0.292 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1799306959 TYKPVSVEVBPQTL-CMCNVBFXSA-N 406.479 0.653 30 20 HCED CC(=O)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1800511867 ADEHGZFXLILRDB-ZSBFGKGUSA-N 404.854 0.551 30 20 HCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800984833 HVJLRQQKKKHLPB-JJAZEVLHSA-N 405.520 0.924 30 20 HCED CN1N=C(C(=O)N2CC[C@H](CNC(=O)C3(C#N)CC3)[C@H]2c2cccnc2)CCC1=O 1806841104 HNBMMNMNJNGHMF-CRAIPNDOSA-N 408.462 0.999 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1808216662 XXQNLGCYZQMAKC-CEXWTWQISA-N 410.522 0.897 30 20 HCED CNC(=S)NCCC(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@@H]1c1cccnc1 1810309197 PQQAGZDXQPWBSA-MAUKXSAKSA-N 402.524 0.875 30 20 HCED C[C@@H](C(=O)N[C@@H]1CCc2nc(NC(=O)CCC#N)sc2C1)N1CCN(C)CC1 1814498705 RKBZOAHNQXJIPP-UONOGXRCSA-N 404.540 0.995 30 20 HCED COCCOCC(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814976565 VPSRCNQAVXMXHI-ZDUSSCGKSA-N 423.539 1.000 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@@H](NC)C(=O)O)sc2C1 1815072410 HHVPFZRGBUFJPR-NQBHXWOUSA-N 410.496 0.709 30 20 HCED C#CCO[C@@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCNC2=N)[nH]n1 1815197584 VZVUSBOCVXWCNE-ZFWWWQNUSA-N 401.471 0.280 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817352242 HRWXEHOKGAKHSH-IPYPFGDCSA-N 406.487 0.586 30 20 HCED C#CC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](O)CCNC(=O)OC(C)(C)C)sc2C1 1823018738 WJNCHEPGOPMUJY-DGCLKSJQSA-N 422.507 0.964 30 20 HCED CN(CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)C#N)CC2)C(=O)C(=O)O 1824667206 MJOJSFXSPGOZTH-SECBINFHSA-N 407.452 0.148 30 20 HCED COc1ccc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C#CC(=O)O)CC2)nn1 1829526294 IQLKRFIVRNLPJG-INIZCTEOSA-N 400.435 0.807 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCOC3=O)CCO2)C1 1831012866 JJLJALDXDXKWAR-OAQYLSRUSA-N 421.494 0.663 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H]3CCCCO3)C2)C1 1831387278 MELURGCFXCOURR-DBXWQHBBSA-N 408.495 0.440 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1832805389 OXKPHKPGMXKTCQ-JXFKEZNVSA-N 406.483 0.390 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)c3cc[nH]n3)CC2)CC1 1833074368 LUYVLXINBIGAPX-ARJAWSKDSA-N 414.510 0.453 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(O)nn3)CC2)CC1 1833472876 ALQZQPLVLAHEHW-HNNXBMFYSA-N 417.510 0.959 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCNC(=O)C3)CC2)CC1 1833476761 BGYVDVCILJSTHB-DLBZAZTESA-N 420.554 0.675 30 20 HCED Cc1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)co1 1834209720 FEOPDYFNBJFSIP-SWHKHVPSSA-N 416.434 0.765 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CSc4nc[nH]n4)CC3)CC2)CC1 1834603649 NLRBYIZXEJZSRJ-UHFFFAOYSA-N 417.539 0.772 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1834761009 ONVZWDSWEKTJOK-IBGZPJMESA-N 401.398 0.686 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncc(F)cc4F)C3)C2)CC1 1835338636 OBBFSSHBVVEQTL-LJQANCHMSA-N 406.389 0.734 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c(F)cncc4F)C3)C2)CC1 1835344776 UDPMDVOFMMRQCB-IBGZPJMESA-N 406.389 0.734 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1sc3nccnc3c1N)CCO2 1835876086 FWHUADLMWHNYAE-GOSISDBHSA-N 416.463 0.257 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)nc4cccnn34)CC2)CC1 1836097749 JRUHRGGZKMKBNN-UHFFFAOYSA-N 423.477 0.188 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836203368 ZSRWFULEUYXQIJ-FXAWDEMLSA-N 421.498 0.449 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccccn3n1)CCO2 1836393415 LBQWFPMHAZADQP-NRFANRHFSA-N 409.446 0.213 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1837393456 RSINNKXWXOXMOB-UWJYYQICSA-N 418.494 0.049 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncccc4F)CCO3)C2)CCC1 1838252311 WMXNWKNRHDLZAN-FQEVSTJZSA-N 402.426 0.985 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838799323 WQENVMZXWVNMME-MAUKXSAKSA-N 413.496 0.191 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839774940 ZOOUXCPELZVBMH-HXUWFJFHSA-N 408.495 0.952 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)C2)C1 1839811603 DDPUJPHJQGAZMP-NRFANRHFSA-N 423.510 0.723 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)N3C)C2)C1 1840294560 LEPHTUPVXAPDTG-LAUBAEHRSA-N 405.495 0.257 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840435794 POHZIYUZCUIFAS-NRFANRHFSA-N 415.494 0.340 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)CSc2nc[nH]n2)C1 1846568321 CULOKXKPBQZJGJ-IGSPZPEDSA-N 408.484 0.629 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)c1 147298436 QADHJGMCMLVSEK-CQSZACIVSA-N 401.510 0.305 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCS(=O)(=O)NCc2ccccc2)CC1 303884960 JLCAHNCCMBZFDW-UHFFFAOYSA-N 411.528 0.631 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 409558140 WBUVEAXGNZHCFA-LBPRGKRZSA-N 406.555 0.827 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 410135830 OTVNJAAXKCREOH-UHFFFAOYSA-N 415.560 0.160 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)CCOC)cc1 410397645 LQFYNTZGPNEYKH-CQSZACIVSA-N 403.526 0.923 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2nc3ccc(F)cc3s2)c1=O 432728820 ZQRJULKIPLBMFP-UHFFFAOYSA-N 400.460 0.977 30 20 HCED COCCN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 433887973 LWTUPSKZUQJQAP-UHFFFAOYSA-N 402.270 0.800 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnn(Cc3ccc(F)cc3)c2CC)C1=O 434001190 HFABWPUYRFDQFI-UHFFFAOYSA-N 414.397 0.943 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](Cn3nc(C)nc3C)C2)c1 437313466 RSZWYZYOGFCNPV-QGZVFWFLSA-N 419.507 0.900 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1=O 440276169 LVQHBCAECLZPFS-CYBMUJFWSA-N 413.883 0.927 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2cccs2)cn1 441013520 NOXOYUPNORDGAZ-OAHLLOKOSA-N 421.442 0.839 30 20 HCED Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 441391383 AMHRNMVQMYEVFK-INIZCTEOSA-N 408.462 1.456 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@]3(CCO)CCOC3)CC2)cc1 447060348 PMIQFILTXZPCEN-IBGZPJMESA-N 407.492 0.617 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)n1 447306136 OWJKTEMYLXZBCA-LBPRGKRZSA-N 409.368 1.120 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465464488 GEQKRDDNJVUGEL-LLVKDONJSA-N 406.454 0.265 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCc3c(C)nc4nc(N)nn4c3C)CC2)c1C#N 472772574 OKAKSPRXXKNCQR-UHFFFAOYSA-N 422.497 0.518 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2)nn1 475814713 TUJWHDQFAKFABM-FUHWJXTLSA-N 422.445 0.901 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476185700 BFOFBLWUTNIRSX-IRXDYDNUSA-N 404.492 0.589 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 480680169 KLKKHFKVOLOAOK-HNNXBMFYSA-N 424.486 0.841 30 20 HCED COCCO[C@H]1COCC[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 485577404 BJJAZUKVZLQMAU-SJORKVTESA-N 411.480 0.429 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccccn2)c1=O 488973316 FSRUDHRKGIFMHB-ZDUSSCGKSA-N 401.513 0.776 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)C2=O)cc1 489273287 YLNFZTJVZZMRMJ-TXTPUJOMSA-N 418.453 0.582 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(-c3nccn3C)c2)CC1 491045787 GEJBQVOYODECBD-UHFFFAOYSA-N 410.478 0.472 30 20 HCED Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCO[C@H](C#N)C2)c1C 497859758 IBOKEQJPZNEZLT-KSZLIROESA-N 421.519 0.795 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 498769341 METWTKNZQNEGLK-UHFFFAOYSA-N 412.487 0.829 30 20 HCED N#Cc1ncn(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 499473078 GYYFNSVVJNRAAY-UHFFFAOYSA-N 400.420 0.286 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C1=O 501439593 QTPLSBOYPYHWHY-MRXNPFEDSA-N 422.432 0.985 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2c(-c3cnccn3)noc2=O)CC1 502855355 KRWCHNHGIZSGOM-CQSZACIVSA-N 411.447 0.764 30 20 HCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)o2)cc1 503734027 JKOXIRZUUBZZEJ-GFCCVEGCSA-N 406.445 0.952 30 20 HCED Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 507856995 SEIMUQZGPFPBCS-QGZVFWFLSA-N 400.508 0.911 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCOC)C(=O)C2)cc1 509721410 WDJYCFVVMLIJLI-UHFFFAOYSA-N 410.496 0.816 30 20 HCED CC[C@@H](C)[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 517693332 OESLHFRFSDVDQL-OXQOHEQNSA-N 402.495 0.916 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1OCC(=O)NC1CC1 519290013 JTYUWDKJNVUWDC-CQSZACIVSA-N 402.407 0.042 30 20 HCED CC(C)CN1CCC[C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 519729272 SEZBCXYUFVVOHE-OAHLLOKOSA-N 403.531 0.739 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 524411009 DWXTWKPUJBDRIE-UHFFFAOYSA-N 411.405 0.613 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1C#N 525173415 YRAZXOSNRPJERY-UHFFFAOYSA-N 424.482 0.394 30 20 HCED CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(N)=O)c1=O 527279724 PJWUYZLTJXUDAZ-UHFFFAOYSA-N 421.482 0.558 30 20 HCED Cn1cc([C@@H](CNC(=O)c2ccc(C#N)cn2)NC(=O)c2ccc(C#N)cn2)cn1 533560820 FXQWKFLQCOBMOP-GOSISDBHSA-N 400.402 0.855 30 20 HCED CCOC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 534017932 KUINIGZDSQHGLN-DYVFJYSZSA-N 423.491 0.700 30 20 HCED COC(=O)c1cccc(CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)c1C#N 538531873 QDVJHJVJNNIUHD-UHFFFAOYSA-N 414.418 0.358 30 20 HCED COCCNC(=O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543961619 NSITZQLKVXDGNO-UHFFFAOYSA-N 404.814 0.215 30 20 HCED COc1nnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 549268032 PAQHWDQFXMQJFW-UHFFFAOYSA-N 408.465 0.957 30 20 HCED C[C@H](COc1cccc(F)c1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551665125 GFJHLGWKLIZLOE-GFCCVEGCSA-N 402.430 0.977 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)C2=O)cc1 559896246 VFTKCBWJHFFGSB-AEFFLSMTSA-N 406.446 0.172 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 561029986 DGWWXWHMKMPGNQ-OAHLLOKOSA-N 401.467 0.574 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)Cn1cccn1 584795641 SJQOVJPUUCGHMJ-MAUKXSAKSA-N 408.462 0.819 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C 586827992 DLDNLYYUMIWFSY-UHFFFAOYSA-N 412.515 0.901 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cc1 588868256 BMBMVEUVVDUQMN-MOPGFXCFSA-N 409.490 0.472 30 20 HCED CCCCCN(CCO)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868743 RRBLVKVLMJGJPZ-SFHVURJKSA-N 400.479 0.786 30 20 HCED CSCC[C@@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 589017578 HLRABNRYUJPUGY-KRWDZBQOSA-N 410.521 0.572 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 608911296 ZHAKIXYMPOVDCM-UHFFFAOYSA-N 404.879 0.078 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 609457036 GXXQOPBLRCLLRW-HNNXBMFYSA-N 415.479 0.404 30 20 HCED C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 609817574 YLJQYECVKCCESK-HNNXBMFYSA-N 422.507 0.483 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)cn2)cc1 610610848 YRHBYGXWGGPPLO-HNNXBMFYSA-N 406.402 0.920 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1 618595134 JBVBNFBGBWVBOB-UHFFFAOYSA-N 413.478 0.901 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c1=O 671654181 WMBANUQTPKIJHY-UHFFFAOYSA-N 415.519 0.158 30 20 HCED C=CCN(C(=O)CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 729628805 GQCFZHIJXQKQKT-ZDUSSCGKSA-N 402.494 0.305 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCC#N)C1 732218901 RBJDJGQUEUNINA-CQSZACIVSA-N 402.517 0.973 30 20 HCED CCOc1cccc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)n1 732467453 XJAGYLXTJJAWOY-HNENSFHCSA-N 414.466 0.838 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 740518960 UJSGDECFDTUBBY-UHFFFAOYSA-N 409.471 0.965 30 20 HCED Cn1cc(N2CCC[C@H](OC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)cn1 744495331 MMQLHVBFZZJILK-AWEZNQCLSA-N 417.447 0.197 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)NC1(C#N)CCCCC1 745443751 GJXDRPYFNZRIMY-KPRKPIBOSA-N 417.462 0.812 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cc(C)ccc2C)CC1 747742534 VOZAMSJWROJKCD-UHFFFAOYSA-N 405.520 0.960 30 20 HCED COC(=O)[C@@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(C#N)c1 751633303 UVDQYAHYZPNWLC-INIZCTEOSA-N 401.400 0.813 30 20 HCED COCCN(C(=O)CON=C(C)Cn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 754278824 XWNHKBDZGMIXPK-MRXNPFEDSA-N 400.501 0.555 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 756753269 IJEMYIZAUYIUGQ-ZDUSSCGKSA-N 411.484 0.315 30 20 HCED C[C@H](CC(=O)N[C@@H](CCO)C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 764406224 QLJBIJSBXIPAOY-CJNGLKHVSA-N 409.508 0.798 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 766243267 OAZUIHALJLSFCM-GOSISDBHSA-N 400.479 0.977 30 20 HCED C[C@@H](CC(=O)OCC1(CS(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 767646203 LKDSPUFHPNEKFH-LBPRGKRZSA-N 414.505 0.872 30 20 HCED CCCC[C@@H](ON=C(C)C)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 767752966 XWVXYQPLCFYHOV-QWHCGFSZSA-N 405.473 0.514 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(C)oc2C)c1=O 767960396 YXUOXNBJXDAFSZ-UHFFFAOYSA-N 413.524 0.831 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 769901297 NRPRKGMBDONXMG-UHFFFAOYSA-N 414.871 0.612 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(N3CCCCC3)s2)c(=O)n(C)c1=O 771891213 SVOAAVBQINNFSG-UHFFFAOYSA-N 411.509 0.448 30 20 HCED O=C(O)[C@@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 776628716 IGACFYFFYBUONZ-AWEZNQCLSA-N 409.464 0.598 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1 778132669 AUSAGILIWUQUMG-ZDUSSCGKSA-N 423.447 0.272 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CC(=O)OC)C2CC2)cc1 780167095 NHBYHHHNPYWEBG-MRXNPFEDSA-N 423.491 0.890 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C 783545666 AQGBEDQOPIMYFL-AWEZNQCLSA-N 417.553 0.776 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 783546804 RIJCEZGNWCBXLB-ZDUSSCGKSA-N 406.551 0.927 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)csc2C(=O)OC)CC1 785494659 HJAPWKCBIUDLHA-UHFFFAOYSA-N 413.521 0.289 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C(=O)N1c1ccccc1 787756070 NSRMMHQFUFJLIY-WMLDXEAASA-N 406.446 0.792 30 20 HCED C[C@@H](O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789782272 LEUUJGQVTUSPOB-QIAIEURZSA-N 410.496 0.715 30 20 HCED CCOC(=O)c1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)on1 793013415 SURJXOGZKYXZKY-UHFFFAOYSA-N 422.467 0.628 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc(F)c3)C[C@@H]2C)c1=O 793734270 UFEKMYIZFKERPB-INIZCTEOSA-N 415.469 0.851 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)C1=O 798560787 MLUIUYBGZZXBOU-BYCMXARLSA-N 416.883 0.698 30 20 HCED C[C@@H](C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cnc(C#N)n1 798741254 MIPHRBYKQDIKSL-ZDUSSCGKSA-N 413.394 0.511 30 20 HCED C#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 802577037 CUIQKZXERTVNLW-UHFFFAOYSA-N 409.464 0.136 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cc1 804049022 AXYMGTFZAZUGNI-XLIONFOSSA-N 412.490 0.907 30 20 HCED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C 805062580 YWFFSNDEFZOUJW-GJZGRUSLSA-N 407.515 0.947 30 20 HCED C[C@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 805586914 HYKPZMFVEWIFRH-QEJZJMRPSA-N 423.466 0.759 30 20 HCED N#Cc1ccncc1C(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 805718328 AYAWALXRLKDFRQ-UHFFFAOYSA-N 408.414 0.899 30 20 HCED CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810360414 OFZQPGFGODIIDA-AWEZNQCLSA-N 408.480 0.962 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CCC(=O)N2CCOc3ccccc32)c1 813980611 DUZSNYGUCIMQIW-UHFFFAOYSA-N 400.416 0.964 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(F)c[nH]2)CC1 815393189 NMIIZKJWUUWMGF-UHFFFAOYSA-N 420.422 0.715 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 815848791 JNDDOQDZKJXHSS-MMOSJZJFSA-N 408.480 0.685 30 20 HCED Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1S(N)(=O)=O 917369228 FZUHHPGJLCNICI-UHFFFAOYSA-N 408.461 0.320 30 20 HCED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1211401866 MNDPJPGKRPNINC-SNVBAGLBSA-N 402.270 0.534 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1313550908 UNJWXSZBBHSRTR-MRXNPFEDSA-N 408.466 0.509 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 1344745800 SSRWXDFEOGHRFQ-UHFFFAOYSA-N 410.478 0.366 30 20 HCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1503620384 XGFMYSMXPXLQLN-UHFFFAOYSA-N 407.482 0.877 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCOC2)cc1OC 1504203714 UAHYRKKCPQNBAL-MGPUTAFESA-N 415.450 0.842 30 20 HCED Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cn1 1554330226 ZQKFBLVASLOIOQ-CQSZACIVSA-N 400.340 0.799 30 20 HCED CCN(CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1615626776 ZJKFFNUYONIHTE-LSDHHAIUSA-N 412.516 0.182 30 20 HCED CNS(=O)(=O)c1cccc(Cn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)c1 1618838222 NVBYWKLPAOHWIQ-OAHLLOKOSA-N 402.480 0.841 30 20 HCED CN1CCN(C)[C@@H](CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1621785320 VGGDABIJMFYQCB-NSHDSACASA-N 405.293 0.984 30 20 HCED CC(C)(C)OC(=O)N1CC2(CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)C1 1653889988 IVQZWXGFDVGNTC-UHFFFAOYSA-N 420.491 0.916 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C)C1 1696502573 UIHQYZRJWYAHPR-CQSZACIVSA-N 404.496 0.981 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1747413198 UAQPNEKEQFUBBZ-UHFFFAOYSA-N 402.480 0.578 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC2CC2)CCO1 1750387636 XPTPSLATFLLVGL-OAHLLOKOSA-N 402.480 0.894 30 20 HCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC(=O)N1C 1763090263 UABXVIQMSHVUMW-ZDUSSCGKSA-N 417.495 0.033 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1771537236 KJWSKWYQFHAMSE-INIZCTEOSA-N 417.491 0.614 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1778778636 PYPZIUSSWPCDJD-DYESRHJHSA-N 413.478 0.975 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779098232 DFDKQVKGAVGEJU-SIDKLDNBSA-N 422.526 0.830 30 20 HCED COc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(Cl)n1 1779795270 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C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 442425343 ZFAKRZWRHNXQRH-INIZCTEOSA-N 424.461 0.505 30 20 HCED C=C[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 461351101 OHEWLYSKFJVTTO-NSHDSACASA-N 406.302 0.882 30 20 HCED Cc1c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cnc2c1c(=O)n(C)c(=O)n2C 461743547 YFGOSOJRGMKEBI-UHFFFAOYSA-N 405.414 0.716 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)c1 463347165 XEWNWWNKHFKKSE-UHFFFAOYSA-N 413.459 0.175 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 480950282 LANYXQPXCFVSRL-UHFFFAOYSA-N 404.510 0.916 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N2CCCC2)CCOCC1 481791214 UICPSJMNSSEVOL-MRXNPFEDSA-N 420.535 0.986 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(C#N)c2)C1 486645184 KDTGBLNSKCWCDZ-QGZVFWFLSA-N 415.537 0.760 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)n(C)c1=O 488053024 FOLLABVIJKNUEW-UHFFFAOYSA-N 411.409 0.237 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 489916591 PZDJUNKDGKCTKC-HUUCEWRRSA-N 401.423 0.280 30 20 HCED CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 489975074 BBCHVEUYMZXEKY-DLBZAZTESA-N 419.507 0.729 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1=O 500020016 PCHPDWPRWOFRDX-LJQANCHMSA-N 414.506 0.494 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CCO1 501915637 KJZHUNPAWCJHOV-HNNXBMFYSA-N 413.459 0.984 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)cc1OC 503653166 DJFBKORIQDFQKA-UHFFFAOYSA-N 406.464 0.980 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)CC2 505074303 RMTUVOAYSLUVND-WBVHZDCISA-N 400.410 0.245 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C(=O)Nc4ccccn4)n3C)CC2)c1C#N 508745539 GBWZJDZJTOQJBV-UHFFFAOYSA-N 406.454 0.703 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508916179 ZUPJCEBBYVAEGJ-MRXNPFEDSA-N 413.544 0.845 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1F 518283420 CCAUXTRBEMISMY-UHFFFAOYSA-N 401.463 0.961 30 20 HCED Cc1cnc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 519746034 ZKCSJMIZPWHJLT-UHFFFAOYSA-N 405.505 0.950 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCc1ccccn1 522387268 GTBKNPOVKQGNRT-UHFFFAOYSA-N 420.494 0.805 30 20 HCED C[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 523394975 YZAHKUCPKYFFAQ-QAPCUYQASA-N 413.478 0.848 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cn1 525088644 YRRJGJBRJXJHIA-UHFFFAOYSA-N 408.422 0.538 30 20 HCED C=CCN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 533387889 BPMRJTDOZBDKQD-SJORKVTESA-N 418.581 0.620 30 20 HCED CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 551444548 XRFCLFCJYWGMCL-CJNGLKHVSA-N 417.441 1.096 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cnc2n(C)c1=O 552898317 LVPZSEKQMFQTSE-AWEZNQCLSA-N 406.402 0.192 30 20 HCED COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCCn1cnc(C#N)n1 557110882 DMZIUFJRMMIVGY-AWEZNQCLSA-N 402.480 0.826 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1F 558400011 BNIKXRJZLTVFTR-UHFFFAOYSA-N 418.450 0.830 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)C(C)(C)c2ccccc2)CC1 560976357 QZUVOFNBUQFFLD-QGZVFWFLSA-N 400.523 0.915 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)ccc1C#N 564261854 WRXMKXIKJOJLNZ-UHFFFAOYSA-N 416.459 0.871 30 20 HCED CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)S1(=O)=O 567575499 LPBBBIREDNGQTA-VNHYZAJKSA-N 413.521 0.649 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(CC)c1 571801448 MUXVRMCTPQBNGV-UNQWWWNPSA-N 403.483 0.436 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CC(=O)OC)c2cccc(OC)c2)C1=O 576666613 GJWMYSIEEOWHFO-FQEVSTJZSA-N 417.418 0.567 30 20 HCED CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)CC1 586859613 CQCYYZUYOPASPB-SFHVURJKSA-N 401.486 0.940 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)c1 608893698 QHXMUYNABWQZQJ-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)cc2)c1N 609202745 YRHVHWIIDICENH-GOSISDBHSA-N 407.478 0.880 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)cn2)cc1 610102575 DBGDFABQLLFHLV-UHFFFAOYSA-N 400.416 0.941 30 20 HCED COC(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 619604673 PFIZMLFXXYUQHU-CYBMUJFWSA-N 408.374 0.979 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCCN(C(=O)C4CC4)CC3)CC2)nc1 619878867 MCFGEBZFUVEEMB-UHFFFAOYSA-N 424.505 0.509 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nn(-c3ccccc3)cc2C)CC1 674194688 BEFITRNTWRSQJZ-UHFFFAOYSA-N 410.478 0.566 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccccn2)c1=O 679753399 PEECQWFWLBPTRU-UHFFFAOYSA-N 410.499 0.655 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CC1 727763336 UOCFSDHAEZLQGE-CQSZACIVSA-N 413.521 0.541 30 20 HCED N#Cc1ccc(NCCNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)nc1 729223771 IRLMJOFNXJVCNI-UHFFFAOYSA-N 422.493 0.961 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCS(C)(=O)=O)c2=O)cc1 729673178 GRULHFZYMMPVLL-UHFFFAOYSA-N 418.540 0.991 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)nnn4C)CC2)o1 729732572 QKCWARNETKWXBE-UHFFFAOYSA-N 409.406 0.642 30 20 HCED COc1cc(C=NNC(=S)NCC(N)=O)cc(I)c1OC 731929268 COBSNNXVCFNJPJ-UHFFFAOYSA-N 422.248 0.592 30 20 HCED N#C[C@@H](C(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)N1CCS(=O)(=O)CC1 732907776 CXNVYVPQOVSUGR-SJORKVTESA-N 406.460 0.824 30 20 HCED Cc1cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 738860643 NHUJNYSOBPEFOD-UHFFFAOYSA-N 407.386 0.608 30 20 HCED COC(=O)CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 742954991 CVAWBVSVKXGCQZ-UHFFFAOYSA-N 409.464 0.296 30 20 HCED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 746040210 REXXNFMWIMPTSC-UHFFFAOYSA-N 409.450 0.620 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 746171458 SKIMSRYAVYBOBY-QZQOTICOSA-N 414.437 0.956 30 20 HCED CN(C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C#N 747881933 VIJPWQNBXILDAD-UHFFFAOYSA-N 409.464 0.625 30 20 HCED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748745614 SYVNXGITJJXBNG-ZDUSSCGKSA-N 410.521 0.495 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)c1 749158645 WCKKUNBKKTYDMJ-UHFFFAOYSA-N 401.444 0.717 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@@H](C#N)C1 754380617 UYEJJYPXBVSFPF-NSHDSACASA-N 402.415 0.759 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1C(N)=O 755551242 LNBGSNRTHVAYQD-SWLSCSKDSA-N 415.450 0.908 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)s2)c1=O 758068385 KENUGILOEVOLOS-UHFFFAOYSA-N 417.512 0.269 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)cc2OC)c1=O 758069486 QERZFVJBQBWAQW-UHFFFAOYSA-N 411.483 0.588 30 20 HCED CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 758294810 OEWYGRNAMOMGHN-HNAYVOBHSA-N 418.475 0.361 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2nc3ccccc3s2)CC1 761030311 GAUFVWHVGFXVIG-UHFFFAOYSA-N 421.548 0.040 30 20 HCED COc1ncc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1C(N)=O 762011112 OITPADIWHGCHQS-MRXNPFEDSA-N 409.402 0.599 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 766866361 OXRBLLRWBSYTNA-UHFFFAOYSA-N 414.480 0.926 30 20 HCED CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 770797746 KCWZBWHGVDXPMN-HNNXBMFYSA-N 411.422 0.484 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 772480573 WBWULBZRZYGOLG-UHFFFAOYSA-N 411.549 0.801 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CN(c3ncccn3)CCO2)cc1 774609176 SYUOVTXKCBXQRC-MRXNPFEDSA-N 416.459 0.450 30 20 HCED CC#CCCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 776177224 QXNREVYFCXABJG-UHFFFAOYSA-N 417.509 0.504 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 783478464 CQDMOKBEHRDGBP-KRWDZBQOSA-N 414.487 0.713 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)CC1 783577990 JGPCRHRLUIDHMD-UHFFFAOYSA-N 402.455 0.331 30 20 HCED CC(C)N1C(=O)c2ccc(C(=O)OCC(=O)NC3(C#N)CCC3)cc2S1(=O)=O 784208445 NXRGFQSMBXBFDW-UHFFFAOYSA-N 405.432 0.959 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1 788032283 YMGMCICISMLFPY-RBUKOAKNSA-N 402.470 0.361 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C)c1cc[nH]n1 789965355 GGRPBVKSFSJSOP-CYBMUJFWSA-N 411.484 0.462 30 20 HCED COc1cc(OC)cc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CC3)CC2=O)c1 793204652 JSOYYSYYPOHWOM-LBPRGKRZSA-N 407.448 0.806 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cnc(C(=O)OCC)c2)c1 798134892 GXTFHPAFFZPIRT-UHFFFAOYSA-N 404.448 0.401 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 801116475 WCFNMLZIJHTSDI-QGZVFWFLSA-N 405.520 0.783 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1)c1cc[nH]n1 804364067 LMEBZFGOODCUNH-OAHLLOKOSA-N 420.344 0.648 30 20 HCED C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2F)C[C@@H](C)O1 807366788 GTTCVVYAXQDVCZ-CHWSQXEVSA-N 415.429 0.657 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)NCC(=O)NCC#N 807552242 SCIMRPYEGXVDQR-AWEZNQCLSA-N 424.502 0.221 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cccc(C#N)n2)C1=O 811253440 DRSXFXVBGQOOIU-HXUWFJFHSA-N 407.386 0.999 30 20 HCED CS(=O)(=O)N1CCCc2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)ccc21 813984352 SHFUVWARSQMUBD-UHFFFAOYSA-N 420.472 0.784 30 20 HCED Cn1cnnc1COCC(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 815895774 GNJJOJXJILXRCF-UHFFFAOYSA-N 403.342 0.727 30 20 HCED C#CCN(C)CCCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 818595624 FKPLDORFMSBDIU-UHFFFAOYSA-N 409.508 0.588 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)NCc2cccnc2)c1 862911573 RZWABZMEOGEVQB-AWEZNQCLSA-N 401.444 0.855 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 895063301 MFHVBPBBDBPNSU-NSHDSACASA-N 408.436 0.011 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 918827618 ZCFMZSIEOYKJSL-ZDUSSCGKSA-N 409.464 0.719 30 20 HCED C=CCCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)nn1 960446849 QAFUBECKVIKERE-UDCKQINGSA-N 401.467 0.474 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCC(=O)NC1=O 996922149 UNSRFMADFZMVIJ-ZVZLPEGASA-N 404.467 0.158 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](CO)Cc2ccncc2Cl)c1 1161256606 UUCHIDWKPADVJL-AWEZNQCLSA-N 422.894 0.852 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](NC4CCOCC4)C3)CC2)o1 1197432320 STUBKXKVBASHFW-GOSISDBHSA-N 416.526 0.736 30 20 HCED N#Cc1cn(CCNC(=O)NCc2ccnc(N3CCSCC3)c2)c(=O)nc1O 1253750084 ZQQCLQNGOCTWDB-UHFFFAOYSA-N 415.479 0.268 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1321311657 MTIYPQAJCLXCHV-NWANDNLSSA-N 419.459 0.146 30 20 HCED CCn1c(S)nnc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1322839812 QYQRCSKWHHGCMK-CYBMUJFWSA-N 413.463 0.980 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1541116578 QWFWUQFKVAEFFF-BRWVUGGUSA-N 424.571 0.744 30 20 HCED N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2COCCO2)cc1 1555991874 YUYHHVIPJJGISU-NVXWUHKLSA-N 412.450 0.456 30 20 HCED CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1558799035 UFSPGPOMWRZLLP-SJLPKXTDSA-N 409.494 0.602 30 20 HCED CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1633898099 RUJOGMPXBKQGKV-INIZCTEOSA-N 401.448 0.705 30 20 HCED CS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1698308345 VSXGEDMZBVADQL-AWEZNQCLSA-N 415.541 0.355 30 20 HCED CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709832411 LYJJYHMNWPBQEF-JKSUJKDBSA-N 414.514 0.322 30 20 HCED CN(C)S(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747607380 NCESMLDOWCCGDQ-INIZCTEOSA-N 423.587 0.935 30 20 HCED Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1751807910 YWNWEIXHOTXDCL-CXAGYDPISA-N 424.506 0.926 30 20 HCED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1762612722 PBKJDDOJLUUKIM-KRWDZBQOSA-N 415.523 0.742 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1766430055 YNEJGULZTVSEQJ-ZIAGYGMSSA-N 418.420 0.806 30 20 HCED 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N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839252563 LOXIDEZBQOOZGN-SFHVURJKSA-N 409.826 0.735 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)cc1 1839360966 JTKZPBDGQFBDCJ-JOCHJYFZSA-N 411.458 0.802 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3ccsc3[nH]1)CCO2 1839521620 AEDDZZOJKYDSKR-LJQANCHMSA-N 417.443 0.387 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc5nccn45)CCO3)C2)CC1 1839551268 HMCOFBGSERYVNK-OAQYLSRUSA-N 409.446 0.708 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839640251 WPHYEMRQUYIDAQ-UTKZUKDTSA-N 423.558 0.065 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(=O)OC(C)C)C2)C1 1839807073 LIYBWFRPFNMBKC-NRFANRHFSA-N 415.446 0.350 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(F)c3)C2)C1 1840041618 XOZSSHKFNMTXPT-HXUWFJFHSA-N 422.384 0.052 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1840156691 SNPIOMLDBSASDU-DIFFPNOSSA-N 401.435 0.748 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1840160203 AUSKPAWTQGMGLP-FQELHTAISA-N 419.547 0.476 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840166082 UDBRJUZVVARSHE-YEWWUXTCSA-N 401.529 0.066 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273069 LAELIZKVDGMAMU-GHQDRPGLSA-N 408.495 0.032 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1840344689 OTAHVDCYQSKKKR-OAQYLSRUSA-N 417.510 0.896 30 20 HCED C[C@H](Sc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840391038 QKVVNZAECHSALH-HNAYVOBHSA-N 404.492 0.932 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840841311 PEXBFRNATGVARW-JOCHJYFZSA-N 423.473 0.751 30 20 HCED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1840930305 RAOZICAWMXSMBV-JOCHJYFZSA-N 418.538 0.869 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCOC)C1 1842777570 FFTYIRRBQKJIRL-INIZCTEOSA-N 423.510 0.769 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)n2)C1 1843357977 NUHIFJVEDVZNEL-UHFFFAOYSA-N 400.435 0.403 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844287443 WLFBGYACXIVFKD-MRXNPFEDSA-N 424.450 0.194 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197491 VNJNVEBRHAUDBC-SPLOXXLWSA-N 417.462 0.747 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CCO1 409490675 JKZFDMOVYBNGDI-QGZVFWFLSA-N 413.931 0.521 30 20 HCED Cc1cc(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 410220197 OROMPVNIMRDAHJ-HNNXBMFYSA-N 417.491 0.866 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCCNC(=O)C1CCC1 430324934 WDFSGVLJNGYHGQ-UHFFFAOYSA-N 423.477 1.151 30 20 HCED COc1ccc(-c2nn(CCC#N)cc2C(=O)NCCn2ncnn2)cc1[N+](=O)[O-] 433919505 NGTFWZMBEBMDJP-UHFFFAOYSA-N 411.382 0.797 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 439210506 BKRKBBRFZNYCAW-GJZGRUSLSA-N 407.434 0.656 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1=O 439457334 QPCNECHKVWEXOU-INMHGKMJSA-N 418.498 0.770 30 20 HCED CN1CCN(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1(C)C 442969893 SKABAQDWHQAKNM-UHFFFAOYSA-N 407.540 0.634 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 443747166 LQHYDPLTFSCVBW-AWEZNQCLSA-N 400.503 0.874 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c(F)c1 446527812 RQRKZGKTJPWLMV-KBPBESRZSA-N 409.439 0.831 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3snc(C)c3C#N)CC1)CC2 460380328 UNNBWMYEKHMQNC-CYBMUJFWSA-N 416.511 0.908 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1C 461744247 DWDZCTMZDOTNDD-UHFFFAOYSA-N 400.424 0.098 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 463513280 CSPIJJBTEFLVPI-UHFFFAOYSA-N 417.462 0.403 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 465126160 DSVSVKGZXDHGGX-RHSMWYFYSA-N 418.457 0.904 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 465460050 SMILXLSGWHXZGL-NJAFHUGGSA-N 412.494 0.945 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 467141389 XIQZPWXFGYNMAC-BMFZPTHFSA-N 408.418 0.878 30 20 HCED C=C(C)COCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 474791070 GJAXGVUYNWRIJA-UHFFFAOYSA-N 411.528 0.425 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O 479906818 ALXATDWTOGOMTF-UGSOOPFHSA-N 412.471 0.664 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OC 481748950 LVVCALXZFYORJB-CQSZACIVSA-N 417.509 0.226 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 482174168 GVCAEHMLSPEBKK-SJLPKXTDSA-N 420.535 0.796 30 20 HCED Cn1cc(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 482784691 XTNRKRJZXZZRSS-UHFFFAOYSA-N 403.446 0.805 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 487171316 KLZSXBULUAMTGH-QZTJIDSGSA-N 421.461 0.497 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 487756330 RUMPFBDAGYKAHA-JKSUJKDBSA-N 403.545 0.746 30 20 HCED N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCO1 495400674 DOIFOVJKNURJBG-JKSUJKDBSA-N 401.471 0.216 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 500626031 RPMLKIGRGUICGH-UHFFFAOYSA-N 406.490 0.967 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 502339318 YHWIFMGQDXPUBV-MRXNPFEDSA-N 406.508 0.855 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)cc1 506404860 DMZIWVRXPJSXTI-MRXNPFEDSA-N 407.492 0.967 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508712863 IXYDWOVXWFEUNB-CVEARBPZSA-N 411.528 0.946 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)cc1 509717781 DCIDIIDTPDNAKM-CQSZACIVSA-N 417.509 0.428 30 20 HCED CCN1C[C@H](C)N(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C 519722818 IATFNVUJOZNKTI-TXPKVOOTSA-N 411.506 0.716 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1 523041665 AHBFSIKLMLMEMM-OAHLLOKOSA-N 423.495 0.473 30 20 HCED CCCS(=O)(=O)NC1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 524251646 MORARVBBVOZALE-KRWDZBQOSA-N 404.492 0.984 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 534288664 FHNLKRPZEBJXBE-UHFFFAOYSA-N 401.452 0.620 30 20 HCED C=CCNC(=O)CNC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 538515524 BXCMSWLYEZDANO-UHFFFAOYSA-N 403.483 0.449 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)n2)c(Cl)c1 541668493 YMMSAYDPYUTCSQ-UHFFFAOYSA-N 402.842 0.472 30 20 HCED CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)Cc1ccccc1 550034833 HFEWUIRQUQXCKR-HXUWFJFHSA-N 420.517 0.891 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 551730993 XZWZIVQLKCPJKX-RDTXWAMCSA-N 400.435 0.695 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 553696546 IRFOFCMPPVWONI-UHFFFAOYSA-N 400.464 0.561 30 20 HCED C[C@H](c1ccccc1F)N1CCC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 559131188 IEFSWNWWZSBPTA-KEYYUXOJSA-N 410.471 0.936 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCNC(=O)[C@@H]3C)nnc12 559933984 BMTVBRFHKNVHKQ-LBPRGKRZSA-N 412.475 0.669 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 561788070 MWWLKAUFGWIQSM-WBVHZDCISA-N 415.469 0.908 30 20 HCED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 566033876 MDTAGYWWKZHLQI-GZMMTYOYSA-N 405.354 0.945 30 20 HCED N#Cc1ncn(CCNC(=O)NCCNC(=O)c2ccc(Br)cc2)n1 572998295 QVWJLZQWAXMRRZ-UHFFFAOYSA-N 406.244 0.641 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNC(=O)[C@H]2c2cccs2)cc1 579045953 SUZBCFYFHGUZTN-MRXNPFEDSA-N 404.473 0.598 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)N1CCCC[C@@H]1C 580489390 HYSCCXHELIZMRM-KBPBESRZSA-N 409.450 0.983 30 20 HCED CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 584308202 VIZWGKXMEUSMKY-KGLIPLIRSA-N 417.514 0.454 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCN1C 588224608 WXSCQLAVVKTUJK-DZGCQCFKSA-N 400.483 0.671 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccc(OC)nc1 608884726 UNNASHYAYOVUDE-UHFFFAOYSA-N 406.467 0.860 30 20 HCED CN1CCN(C(C)(C)CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 617045918 UWUPXKBOBXQSCL-LJQANCHMSA-N 412.538 0.984 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 672456726 DLECTHUGFBKJQX-RKVPGOIHSA-N 400.479 0.578 30 20 HCED CCC(=O)N[C@@H](C)C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 729071287 YUWFKZVLRROZFE-BBRMVZONSA-N 401.423 0.867 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1OC 729428266 BNSBNWUXYPVKMG-NFAWXSAZSA-N 421.475 0.420 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC(=O)NC)cc2)c1 729435080 GQNVFMHXSJQSIL-UHFFFAOYSA-N 401.444 0.975 30 20 HCED C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N(C)CCC#N 729656949 BCRAPDXPZMYSJI-LLVKDONJSA-N 403.407 0.937 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC1(N2CCOCC2)CCCCC1 732439806 QLDHRNFZKVYMKO-ISLYRVAYSA-N 405.499 0.847 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCC(=O)N3CCN(C)CC3)ccc2c1=O 733975246 LSLPKXKMPDZVLN-UHFFFAOYSA-N 415.519 0.765 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CCOC 735068466 CHWJLUOBBLDAGT-UHFFFAOYSA-N 419.478 0.269 30 20 HCED CN(C)C(=O)c1cccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 741609000 PBUWZZMUOKQIKC-UHFFFAOYSA-N 414.487 0.786 30 20 HCED COC(=O)Cn1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 742566173 LBAOAPMHVGQTMV-NSHDSACASA-N 405.436 0.512 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1 746627873 XRQWGAVMPGCDDA-INIZCTEOSA-N 408.476 0.781 30 20 HCED C#CCNC(=O)C1CCN(CN2C(=O)C(=O)N(Cc3ccc(OC)cc3)C2=O)CC1 747796916 ZWZAVLCCLOUZQW-UHFFFAOYSA-N 412.446 0.405 30 20 HCED C#CCNC(=O)C1CCN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 747797652 DGBIGFIKXJRGJL-HXUWFJFHSA-N 413.434 0.781 30 20 HCED Cn1c(=O)c2c(nc(Cl)n2CCS(=O)(=O)c2ccc(C#N)cc2)n(C)c1=O 748450895 ZYYPTYLEIJUEGF-UHFFFAOYSA-N 407.839 0.433 30 20 HCED CCCCNC(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748753587 ZUQMQGBIDFSHEE-AWEZNQCLSA-N 424.548 0.933 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1 755319038 HJFFRWZOCJPLTP-HNNXBMFYSA-N 409.483 0.129 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2SCC#N)c1 756453511 XOEZMXXBRFGQFW-UHFFFAOYSA-N 423.476 0.496 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CC(C)C 763433996 HPPAYJUCYALYBP-AWEZNQCLSA-N 402.520 0.558 30 20 HCED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CCS(=O)(=O)C1 765412509 BXUMWRMXFVSRNH-KGLIPLIRSA-N 400.501 0.077 30 20 HCED Cn1cc(S(=O)(=O)NN=C2COc3cc(Cl)cc(Cl)c32)c(=O)n(C)c1=O 771891293 LOLQTBVSQWGOQG-UHFFFAOYSA-N 419.246 0.466 30 20 HCED CC(C)CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1=O 779284114 XUEUAKXMRIWGPR-AWEZNQCLSA-N 406.508 0.831 30 20 HCED CNC(=O)[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 781833024 JEFNMBKDGBHSBU-MOLDEKSUSA-N 423.495 0.478 30 20 HCED 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412.393 0.602 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cccn5c(O)nnc45)C[C@@H]32)C1 1783461380 STTHINSJXSTYTC-JQFCIGGWSA-N 411.462 0.994 30 20 HCED C[C@H](Cc1ccc(F)cc1)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566284 SEKNZGYKDPUPHF-VFNWGFHPSA-N 402.422 0.922 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(Cl)c(Cl)c1)CCO2 1783567281 SNYRNXDJIAUFQA-QGZVFWFLSA-N 412.229 0.920 30 20 HCED COc1cc(Cl)cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783568371 WCGODVTULHQANH-IBGZPJMESA-N 406.822 0.880 30 20 HCED CS(=O)(=O)CCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1784746426 LSVMSGSZIKZDIQ-IBGZPJMESA-N 405.476 0.436 30 20 HCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc(O)nc(O)c4C3)[C@H]2C1 1785332676 RLXQVHFXEPDCBR-RMRKRWHISA-N 416.478 0.549 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)n(C)n3)[C@H]2C1 1785594558 NDNBNXHYNAQNAS-SDADXPQNSA-N 406.483 0.292 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnn3CC)[C@H]2C1 1786178392 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C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ocnc1C)CCO2 1834368313 VXWURFHRZPRWMQ-FQEVSTJZSA-N 421.450 0.562 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)cn1 1834524466 IDSWJRDSRBFAGZ-LPHOPBHVSA-N 424.523 0.510 30 20 HCED CS(=O)(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834603661 OHMUOQDYBUXYRG-UHFFFAOYSA-N 410.540 0.296 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1834760103 GRZBGOYZOBEWTD-HXUWFJFHSA-N 401.419 0.441 30 20 HCED CCOC(=O)c1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)ccn1 1834763787 YSYADXZWOADJAY-FQEVSTJZSA-N 416.434 0.242 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1834764797 BULDMOAHEURCSP-HXUWFJFHSA-N 410.434 0.251 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1835354677 VHSYLXFFSVGMOY-OAQYLSRUSA-N 415.446 0.718 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835376699 DOYXFDKZJBWMIL-PGRDOPGGSA-N 423.554 0.502 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836046634 ALJIDJAQYDDRFW-HXUWFJFHSA-N 401.467 0.415 30 20 HCED C=CCC(F)(F)C(=O)N1CCC(N2CCC(NC(=O)COCCO)CC2)CC1 1836410901 MJUFLHKYOZRVQF-UHFFFAOYSA-N 403.470 0.778 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1837394407 AAOPMHVZYMPSEI-KKSFZXQISA-N 421.494 0.935 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@H]3CCOC3)C2)C1 1837402246 FWYBWPDRQSJGHH-NPPFBWRTSA-N 424.538 0.833 30 20 HCED COCC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CC1 1837440240 GQAKWBGFQQRGSS-XWRADEMYSA-N 422.526 0.341 30 20 HCED Cc1cnc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1837444205 QLMAVKYKTSTJAW-UHFFFAOYSA-N 400.435 0.485 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837805743 PSTHWDOYJBQDHQ-HXUWFJFHSA-N 412.450 0.610 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733003 IZKCIHQIYWIBQL-YWZLYKJASA-N 402.451 0.547 30 20 HCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1cccn1 1838774234 SHJGJMLSJHALDA-OAHLLOKOSA-N 402.451 0.531 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)[nH]1 1838905592 NXMKXNUCOBGVGO-NRFANRHFSA-N 409.446 0.974 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)ON=C(C)C)CCO2)C1 1839222723 XBFJVTGUBXRXIR-YWZLYKJASA-N 411.499 0.859 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839554298 AHBXQUDODFVYEV-FQEVSTJZSA-N 415.425 0.847 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cc2cc[nH]n2)CCO3)cc1 1839719364 SUDIKJQNMJZJCB-QFIPXVFZSA-N 423.473 0.523 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1)C(F)(F)F 1839891625 PHUBWSJIPSYVCG-QGZVFWFLSA-N 416.400 0.917 30 20 HCED COC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)CC1 1839895415 AKBMZPTWJNXUAH-KDOFPFPSSA-N 414.524 0.350 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1c1ccccc1)CCO2 1840121076 FUKXYODVARYDTC-SPEDKVCISA-N 412.442 0.335 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840164053 WXHCOWKCEPJEGO-KZULUSFZSA-N 423.470 0.257 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(C)c(C)[nH]c3=O)C2)C1 1840167082 WHACGMDVKZRDCL-NRFANRHFSA-N 416.478 0.260 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1840170558 NTLOQIXLAAPEJJ-WIYYLYMNSA-N 402.495 0.779 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455782 KIZNLPRLDCCFOB-QUCCMNQESA-N 422.551 0.820 30 20 HCED CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840804499 TWNYJUKABYWCNZ-QRWLVFNGSA-N 424.498 0.660 30 20 HCED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819205 WAWDSGNBUGHZKC-NRFANRHFSA-N 417.462 0.430 30 20 HCED CN1CCN(CC(=O)N2CCCC23CN(C(=O)CCc2cccc(C#N)c2)C3)CC1 1843913874 RXQNXIBLCPHNFI-UHFFFAOYSA-N 409.534 0.942 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C(=O)N2CCCC23CN(C(=O)C(C)(C)C#N)C3)C1 1845103801 JXFPJACDHRECRM-LSDHHAIUSA-N 420.510 0.967 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1846370113 XIZFLNSHODBSHU-CHWSQXEVSA-N 401.529 0.784 30 20 HCED COCCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 51121502 OLJQMUNWOTWKOT-UHFFFAOYSA-N 415.538 0.930 30 20 HCED CN1CCO[C@H]([C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)c2ccc(Cl)cc2)C1 409475625 IUYKOJWVRYARNY-ULQDDVLXSA-N 414.915 0.770 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 409543342 LIXUYQCKUHOCHV-QGZVFWFLSA-N 407.496 0.148 30 20 HCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 428269914 RODUHVIGZOKRBW-HZPDHXFCSA-N 405.524 0.954 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)C1=O 440261547 YPSFRHCVNAVOCB-MRXNPFEDSA-N 416.478 0.971 30 20 HCED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443290299 BEYCCPKNOHTSMP-SNVBAGLBSA-N 414.340 0.447 30 20 HCED CN1CCN(CCCNC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H](c2ccccc2)C1 444590894 BJHJPBHYLADWGI-LJQANCHMSA-N 423.521 1.230 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc21 446530566 IHMVRWUSCGZTKU-UHFFFAOYSA-N 415.450 0.055 30 20 HCED CNC(=O)COc1cccc(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 471683599 WMCDNBCTJLYTJJ-UHFFFAOYSA-N 410.478 0.616 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N1CCCCC1 476047043 UFXFYTQDNRBENJ-CYBMUJFWSA-N 409.512 0.632 30 20 HCED COc1ccc(CC(=O)N[C@]2(C#N)CCOC2)cc1S(=O)(=O)N1CCOCC1 478655171 RGDGGJHACVTZPU-SFHVURJKSA-N 409.464 0.057 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)cc1 479007775 UOORSVSRSUSVLG-HOTGVXAUSA-N 423.491 0.591 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC 480283459 GWQFJZPWYUYGSX-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 481018961 SJQICVKLPVXDOT-QWHCGFSZSA-N 414.509 0.775 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 487331445 FRZXHTOFUPLSJE-JKSUJKDBSA-N 411.480 0.347 30 20 HCED COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488276669 FNEOXWLEJIVISH-MSOLQXFVSA-N 414.462 0.615 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(C)c1=O)OCO2 488992028 YXYKIDCPMLUHOS-LLVKDONJSA-N 414.439 0.293 30 20 HCED CNC(=O)Cn1nc(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cc1C 503993071 ZFQYZXXSXQRUQB-RBZFPXEDSA-N 407.434 0.815 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 507498382 OSNCHQJYKPEUHR-UHFFFAOYSA-N 410.452 0.788 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H](C)[S@]1=O 507754949 KGMWGPIFQWXTLU-CAEDYLBHSA-N 414.491 0.895 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1F 511358833 JNNXBDSUMDZLJV-UHFFFAOYSA-N 416.460 0.419 30 20 HCED C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513288672 FXKQARVKVJTJED-LLVKDONJSA-N 407.427 0.761 30 20 HCED C=CCN(C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)[C@@H]1CCS(=O)(=O)C1 516146463 SILRBLREJIHZOQ-CYBMUJFWSA-N 404.448 0.647 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 518587606 UTNADFFLBXKXDS-UHFFFAOYSA-N 402.495 0.536 30 20 HCED CN1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 531006944 RDWASSDGACPRRF-KRWDZBQOSA-N 405.524 0.916 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 532498274 SRSVQAKUJSMMIA-ZBFHGGJFSA-N 423.491 0.796 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 537038659 YHIFBESZHOPMRZ-QRVBRYPASA-N 407.559 0.542 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)c3ccccc3C2)n(CCC#N)n1 547487479 HBAVUMXHGYLCQW-UHFFFAOYSA-N 401.448 0.860 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)s1 550154425 YELCPIBWFXPZMX-UHFFFAOYSA-N 418.500 0.912 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1=O 550614551 JCPGJUGGUACEBG-SJORKVTESA-N 418.494 0.323 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCNC(=O)CC2CCCC2)CC1 552660837 IGAUATXOTFJTJZ-UHFFFAOYSA-N 412.494 0.415 30 20 HCED Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCCn2cnc(C#N)n2)CCCC1 553523607 QZGCGMKUSAHYLI-UHFFFAOYSA-N 407.456 0.162 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCSC1 556209555 YFJHKOQHWNIXDO-LJQANCHMSA-N 402.524 0.155 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)cc1 557026495 HCDYVSZUIMCXGP-MRXNPFEDSA-N 422.551 0.871 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)C1=O 561759419 HWMSWARVNAETEK-ZBFHGGJFSA-N 414.462 0.162 30 20 HCED CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 572760683 VVEQVAQYCKCKJH-HGKJHCCASA-N 417.535 0.798 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 585716224 TUAFBEVOVMEXFG-UHFFFAOYSA-N 423.477 0.850 30 20 HCED C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 585716547 HTZGJASOYBSNJK-HNNXBMFYSA-N 414.510 0.920 30 20 HCED CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 610531477 WMBPCOVZMBQHJP-UHFFFAOYSA-N 407.496 0.418 30 20 HCED N#CCCN1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 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HCED C#CCCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 740735458 GIXTXFVEZRBYIZ-UHFFFAOYSA-N 408.480 0.867 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2scnc2C)c1=O 743726197 IIWRQDIDEKFKBV-UHFFFAOYSA-N 418.544 0.837 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)CC1 743901095 ZYDRRQAVIHJQFH-UHFFFAOYSA-N 423.473 0.314 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 744907467 SBWIAZCIJATGGJ-GXTWGEPZSA-N 417.418 0.963 30 20 HCED C#CCN1CCN(C(=O)CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CC1 746500780 FTWIGMPVTOEWHD-QFIPXVFZSA-N 424.593 0.693 30 20 HCED CS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 746990522 QGPJQXQQOBFMPL-UHFFFAOYSA-N 401.448 0.665 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 747819949 CQIFXTMOISNCJX-AWEZNQCLSA-N 418.519 0.073 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O[C@H]2CCOC2)CC1 748513937 OZFMXZFRCNPLSR-HNNXBMFYSA-N 407.492 0.912 30 20 HCED CCN1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 756737055 CQWBFRCQTRBMKH-OAHLLOKOSA-N 406.508 0.831 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757587849 BTVFXMMYFWVSCP-RISCZKNCSA-N 424.479 0.831 30 20 HCED C#CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 758879859 IJPUNNMVHXSUHO-UHFFFAOYSA-N 420.491 0.837 30 20 HCED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNc2ncccc2C#N)cc1F 771173925 ZUDMFWBITRZBGZ-UHFFFAOYSA-N 413.456 0.854 30 20 HCED COc1ccc(-n2nc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2C)cc1 771284059 KYNOKWWZIFVLES-INIZCTEOSA-N 416.459 0.769 30 20 HCED CCn1c(=O)n(CN2CCSC[C@H]2C#N)c2cc(S(=O)(=O)N(C)C)ccc21 774642676 JVXWBDRVQUYLBD-CYBMUJFWSA-N 409.537 0.972 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 781518318 QCQFNBYKEHVLOQ-UONOGXRCSA-N 412.425 0.801 30 20 HCED C[C@H](OC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)NC1(C#N)CCC1 787589829 WESVMHJPVQKWEO-NSHDSACASA-N 402.363 0.814 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)c(F)c1 787755756 WCOVUTBRTGDRKN-UHFFFAOYSA-N 421.436 0.841 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O 787787273 INWIVHVYOGFGHQ-KRWDZBQOSA-N 412.494 0.921 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NOC[C@@H]2CCOC2)cc1 788352084 YDSZOTKHKDANPY-IQQDNESTSA-N 424.479 0.522 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cccnc1N1CCOCC1)c1cc[nH]n1 789954251 FMTMPNYVNYAPRO-UHFFFAOYSA-N 416.438 0.242 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2OC)[C@H]1CCS(=O)(=O)C1 790958097 RFZUXCUTMOYDFW-BBRMVZONSA-N 406.460 0.744 30 20 HCED NS(=O)(=O)c1cc(Cl)cc(COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 798624880 MFRCQHLFMVNSJV-FOCLMDBBSA-N 413.839 0.947 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)CC1 803935438 PNBLTDGKNMGXML-UHFFFAOYSA-N 400.501 0.391 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2nn(C)c3ccccc23)n1 805743489 VDDXEWMQESWEJI-UHFFFAOYSA-N 408.462 0.694 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)[C@H]1CCCO1 809313311 SIOAYRCHPOFOIO-HZPDHXFCSA-N 405.401 0.546 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C)CC1 809833316 ZNVDJLXOAOYJQM-UHFFFAOYSA-N 401.492 0.851 30 20 HCED Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCNc3ccc(C#N)cn3)C2)n(C)n1 809872171 USJALHBZETUNRB-INIZCTEOSA-N 410.482 0.309 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCN(c3ccnc(N)n3)C2)cc1 810769718 JHOGAAPTBIKEDU-OAHLLOKOSA-N 415.475 0.796 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 916869991 BXGXXYCBMURRBK-CYBMUJFWSA-N 422.235 0.907 30 20 HCED C#CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)[C@H]1CCc2ccccc21 917117987 YMVPNPXWFYIYON-FPOVZHCZSA-N 415.559 0.940 30 20 HCED CCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918246329 UZHMQQNVISLLIJ-JCMHNJIXSA-N 423.495 0.080 30 20 HCED C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918278872 HFZCVAJIXOTLKU-IQQDNESTSA-N 410.496 0.715 30 20 HCED COC[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 920926667 SJLSIHKHKFLFNA-JEEMYIIMSA-N 410.496 0.837 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)N(C)Cc1cnn(C)c1 1109735794 XOJGPCSOVZUSJR-GFEQUFNTSA-N 401.511 0.691 30 20 HCED N#Cc1cn(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc2c1=O 1116839423 MQJRQTHZMIJQNQ-INIZCTEOSA-N 414.487 0.204 30 20 HCED Cc1nsc(N(C)C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1C#N 1129711271 LJELRLGNYYTZCI-UHFFFAOYSA-N 419.488 0.720 30 20 HCED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)CC1 1185057998 RNVZJUKWKMLYOJ-AWEZNQCLSA-N 415.512 0.974 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)cc2)c(=O)n(C)c1=O 1319592922 ICSKUMRUCDLRFO-UHFFFAOYSA-N 422.854 0.440 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@H](CO)C1 1454050391 UCKNMXBLJBNGMO-DZKIICNBSA-N 409.508 0.199 30 20 HCED N#Cc1cn(CCC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)c(=O)nc1O 1467246431 ZRLFECDTPUBERC-UHFFFAOYSA-N 400.410 0.946 30 20 HCED CCN1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1468283813 ZMMJSOVJTAMMKT-MRXNPFEDSA-N 404.492 0.696 30 20 HCED CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1503816319 XWLUNNWUGCTQDI-INIZCTEOSA-N 422.493 0.564 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1521056612 OMPSRNRZBRAHOH-CXAGYDPISA-N 410.475 0.391 30 20 HCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1555796712 IUWFMLNNPTZKFG-DLBZAZTESA-N 417.491 0.855 30 20 HCED CC(=O)N1CCN(Cc2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1637384132 LABDTAVAZBNVMA-UHFFFAOYSA-N 424.461 0.513 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)CCO1 1696964925 SBEIBJGHZGRQBH-UTKZUKDTSA-N 410.478 0.929 30 20 HCED COCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cn1 1698071464 UWIUCYXYPUBLPJ-SFHVURJKSA-N 404.450 0.749 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@]2(O)CCOC2)c1 1712879014 OZIWEVPPYZJHAJ-SFHVURJKSA-N 403.464 0.203 30 20 HCED CCCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1728208096 LIXOZONCABUFFR-OAHLLOKOSA-N 408.528 0.836 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1730761147 JNECINDZLJRKKK-QGZVFWFLSA-N 408.484 0.189 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951932 NYJMGBMFMKIEPY-IIBYNOLFSA-N 413.478 0.746 30 20 HCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2)[C@@H]1SC(=N)NC1=O 1778083473 VUMDSIFQBIWFDU-PITQQHRWSA-N 421.523 0.607 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778666988 RGYKLLUSIQQKOY-OAQYLSRUSA-N 414.510 0.555 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1779138915 JCIAEIKIBMICPZ-WHEDMDOKSA-N 401.419 0.928 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(OC)cc3O)C2)C1 1780551472 XLKUBCFOOGXSPL-VFNWGFHPSA-N 402.447 0.883 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1781399668 HDUDXWKVAASANG-ZMYBRWDISA-N 413.471 0.233 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CC(=O)NC1=O)C2 1781736622 NCVOLBAGKXLPGM-STXHMFSFSA-N 406.483 0.264 30 20 HCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2)C(F)(F)F 1781802834 FCDCUIAROOHMJG-CXAGYDPISA-N 420.432 0.890 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782363778 KFGMBMJIIOFTNQ-YCRPNKLZSA-N 414.437 0.955 30 20 HCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)cc1 1783441400 ONTYKQCDVBNFPO-UFYCRDLUSA-N 422.489 0.762 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)CCSC)C2)C1 1783972231 SNTCUMBETBMDRV-ZRGWGRIASA-N 400.541 0.503 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)n4cncn4)C3)C2)c1 1784476695 PLLCFNORSGEDTG-VFNWGFHPSA-N 424.461 0.863 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ncccc34)C[C@@H]21 1784482250 ILDFOHRGROKGLF-MRHSLFKSSA-N 411.462 0.361 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc(OC)c3)C[C@@H]21 1784485780 QXKSWANMTPVBBV-UBDQQSCGSA-N 401.463 0.722 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1784535030 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C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 443263658 NFXOLFJWDKIYPV-MEBBXXQBSA-N 400.826 0.977 30 20 HCED Cc1nc(=NS(=O)(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccc(C#N)cc2)[nH]1 443421428 XHKKQXFFIPIOCR-UHFFFAOYSA-N 407.419 0.646 30 20 HCED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)ccn1 444512490 ULQIHUHMTRJWOF-UHFFFAOYSA-N 406.446 0.942 30 20 HCED CCO[C@@H]1C[C@@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 444569860 KDVHOZKQBZHJFJ-NRXGSXMXSA-N 409.508 0.907 30 20 HCED CC(C)(C)[C@@H](CO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 444683452 GUKANKXOXABQOI-QGZVFWFLSA-N 408.524 0.388 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460594112 DMAQMTYJGHMKBU-HNNXBMFYSA-N 410.434 1.188 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(C(=O)C(C)C)CC1 460600069 PSLPAQHYJQZYBI-UHFFFAOYSA-N 409.450 0.713 30 20 HCED COc1cc(N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)ncn1 461772393 NLAPYQBLMKMVFV-UHFFFAOYSA-N 412.454 0.596 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C 472897562 VWLGNNXYBDZXIU-UHFFFAOYSA-N 424.461 0.983 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473687604 XNEOADVSMBJWFZ-KRWDZBQOSA-N 404.492 0.543 30 20 HCED CC#CCNC(=O)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 477387581 TYCFAUNKIQUEEX-SFHVURJKSA-N 421.519 0.601 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 480968387 FQNSLQXNHWAHDK-GXTWGEPZSA-N 414.509 0.918 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487161059 TXKXRHDPUBGVSK-QGZVFWFLSA-N 419.507 0.382 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)cc1Br 500690371 SHIJGCMCSGNOLT-LLVKDONJSA-N 406.196 0.022 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3C(=O)CCC3=O)CC2)cc1 505910998 GBBQXFLGOFUEQQ-UHFFFAOYSA-N 418.475 0.224 30 20 HCED CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 516484824 MKYLLTHQGWHRQT-UHFFFAOYSA-N 420.473 0.871 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 517951135 SKCGFKBXXLVNCU-UHFFFAOYSA-N 422.445 0.365 30 20 HCED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 517974501 XQPQBJIQPGSFNT-LJQANCHMSA-N 422.489 0.879 30 20 HCED C=CCN(C(=O)C1CCN(S(N)(=O)=O)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 518744113 ARPYJRONOSDAEM-CQSZACIVSA-N 419.511 0.653 30 20 HCED CN(C)C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 543928185 LIGLVSWCBVSBNE-AWEZNQCLSA-N 400.414 0.611 30 20 HCED CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549756129 CPFZWLIVXAHMQZ-KRWDZBQOSA-N 423.477 0.390 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc1 555863567 BAHXLXQYYJCLKL-UHFFFAOYSA-N 414.403 0.846 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 556326810 MYFYHPPPVZLFOR-AWEZNQCLSA-N 415.431 0.370 30 20 HCED C[C@H](c1ccccc1F)N1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 559131179 IEFSWNWWZSBPTA-CKEIUWERSA-N 410.471 0.936 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc3c(c2)OCO3)cc1 564409977 FUJHJRLHNBEIMB-UHFFFAOYSA-N 403.416 0.760 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)C2=O)cc1 565795890 SQSRUQFMHSYBQH-VQTJNVASSA-N 423.517 0.862 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)c1C#N 565884972 YJYATWFVLPIUMQ-UHFFFAOYSA-N 412.479 1.029 30 20 HCED N#CC1(CNC(=O)C(=O)Nc2ncn(Cc3cccc(Br)c3)n2)CC1 568947547 UGLHOPIJEYONBI-UHFFFAOYSA-N 403.240 1.447 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCO1 573756230 PDJWPCCFSAYUCS-KRWDZBQOSA-N 414.510 0.219 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1nnc2n1CCC2 585701272 SPUOIPIAJWHXSP-GFCCVEGCSA-N 424.465 0.487 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2nc(C)c(C(=O)OCC)s2)C1=O 588996360 IZEFVIBHLMAACT-LBPRGKRZSA-N 408.480 0.490 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)cc2)c1=O 603793221 STRFTPPDQBLWEZ-UHFFFAOYSA-N 413.499 0.760 30 20 HCED C[C@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C(=O)N1c1cnn(C)c1 610309102 YASAVRCAEICJOD-SJCJKPOMSA-N 404.434 0.983 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CN(C)CCO1 611610991 WQUNABFJLGUACM-MLGOLLRUSA-N 400.414 0.657 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCOCC 725764306 OEBYCVDCTLFRJT-UHFFFAOYSA-N 403.508 0.099 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O 726043477 WSASWXXPCZMRON-UHFFFAOYSA-N 408.298 0.192 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(F)c(Br)c2)c(=O)n1CC(N)=O 727161120 PHBPZVXEBAFSCR-UHFFFAOYSA-N 407.224 0.323 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)CC1 728535057 WPUAZKNVPZLKRT-SFHVURJKSA-N 404.898 0.801 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)NC)cc2)cc1 729436338 RGGBKMIHSBNBOE-UHFFFAOYSA-N 401.444 0.975 30 20 HCED COC(=O)CCOc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731851382 UHJODIGOBOGHAS-ISLYRVAYSA-N 423.447 0.433 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(F)cc3)CC2)c1=O 732409258 LWUKOTODZNOAIB-UHFFFAOYSA-N 401.442 0.463 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)[C@@H](C#N)C(=O)Nc2ccccn2)C(=O)C1 741432649 ZKOKYDYMSHMSOZ-CYBMUJFWSA-N 401.423 0.808 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1c[nH]c(C(N)=O)c1 744982856 SDHKYQREVKVSQI-UHFFFAOYSA-N 423.385 0.650 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752034513 BRZAXGAXRSBLAA-SNVBAGLBSA-N 404.466 0.872 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn(C)c1=O 755551187 XGMVNAWYHZNBFC-GXTWGEPZSA-N 403.439 0.508 30 20 HCED C[C@@H](CC(=O)N1CCC(n2ccnn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 764996004 ZPYAAUSLMGKYSP-ZDUSSCGKSA-N 402.480 0.959 30 20 HCED C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ncccn1 767638131 QNVHVHIYEKXBRU-NEPJUHHUSA-N 403.420 0.585 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(CCOC)C(=O)C3)ccc2c1=O 768880118 BUUXWRWJQWELIZ-UHFFFAOYSA-N 402.476 0.802 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](OCc2ccccn2)C1)c1cc[nH]n1 772379782 XCQCAUZCQFZSKH-OAHLLOKOSA-N 401.423 0.906 30 20 HCED C=CCOc1cccnc1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 775113479 JOTKZDWWGWJPRF-HNNXBMFYSA-N 423.491 0.135 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F)[C@H]1CCS(=O)(=O)C1 783482030 ZSEHFUUOGDTWSZ-AWEZNQCLSA-N 421.450 0.540 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CCC1 784210261 KTRWGPDECSSUDO-SKHCZCESSA-N 424.457 0.895 30 20 HCED C#CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cn1 788211215 CPMYEDBVCKOTJL-KRWDZBQOSA-N 402.476 0.904 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)C1=O 798654105 RZENUZUTJMPICU-VNQPRFMTSA-N 412.439 0.280 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)C1=O 799267391 JYPAZPZVSOUAPD-QGZVFWFLSA-N 404.442 0.846 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C(C)(C)C 807536119 POPYTYLZMVQNRK-SFHVURJKSA-N 414.506 0.851 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCC2CCN(c3ccncc3)CC2)nc1 807663742 RDRAVVKZQBEBCU-UHFFFAOYSA-N 407.478 0.909 30 20 HCED C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCOC)[C@H]1CCS(=O)(=O)C1 812162165 IRVLPGLVIVYVEL-HNNXBMFYSA-N 418.475 0.947 30 20 HCED Cc1nsc(N2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)c1C#N 812271053 CVCZCMUEJCYUMD-UHFFFAOYSA-N 418.504 0.469 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 831740887 JDSRQVDMKNBUNJ-SFHVURJKSA-N 422.463 0.275 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)cc1 875843021 REEXAKKUTSKUMZ-UHFFFAOYSA-N 413.521 0.142 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)cc1 917020673 NCPLYOJAGRYFLQ-INIZCTEOSA-N 418.413 0.841 30 20 HCED O=C(N[C@@H]1CN(CC#Cc2cccc(Cl)c2)C[C@H]1O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1077432890 BEKMMLNYDUHTTN-LFAQGZIKSA-N 404.894 0.904 30 20 HCED C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCC(F)(F)F 1115872504 HARFKMJCKZMXPT-JTQLQIEISA-N 406.386 0.675 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](O)C[C@H]1C(N)=O 1147378228 RIFZMXRZIMKTSH-PWSUYJOCSA-N 412.240 0.545 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)CC2)nc1 1292725220 SFYDGZSPOCXTME-SFHVURJKSA-N 411.437 0.968 30 20 HCED CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@](O)(CC#N)C2)(S(C)(=O)=O)CC1 1299889219 BTUAUQCSURSQIV-QGZVFWFLSA-N 415.512 0.678 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1316352322 RAFLDVMHQKPESI-CABCVRRESA-N 417.495 0.350 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1316539377 OBTCKHBXEBPJQX-GOSISDBHSA-N 419.445 0.981 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(CC#CCN2CCC[C@@H](S(C)(=O)=O)CC2)CC1 1322277947 QSOIFADXUOIPHE-QZTJIDSGSA-N 404.598 0.788 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C[C@@H]2CCS(=O)(=O)C2)cc1OC 1342605134 KHJWODOACXOKLP-GJZGRUSLSA-N 408.476 0.896 30 20 HCED Cn1c(=O)[nH]c(N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c(C#N)c1=O 1458286132 RRSFOLJWYRYYIT-SFHVURJKSA-N 422.489 0.258 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1505325887 UTDBMTIBSIHHSL-SJORKVTESA-N 416.507 0.817 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1613025833 IGGRMMPZBVGYSE-IFXJQAMLSA-N 419.507 0.837 30 20 HCED CCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1695831938 ZIWUJFNFLMWMNF-HOCLYGCPSA-N 409.560 0.970 30 20 HCED N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)c1 1712878774 RFBGGLMVRAMJKR-KRWDZBQOSA-N 407.434 0.404 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOC[C@@H]1C 1741904821 PTRXFQRCPJJAJF-ILXRZTDVSA-N 413.548 0.347 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1747443080 SMNDVXGSVWHOBL-HNNXBMFYSA-N 404.496 0.922 30 20 HCED CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)F)CC1 1751282958 ZRMIHJBKANVFNJ-UHFFFAOYSA-N 409.441 0.912 30 20 HCED CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766384013 LXKQUIMUJAMULV-INIZCTEOSA-N 414.514 0.055 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1767827553 LBGOSUVINXTKEA-UHFFFAOYSA-N 422.493 0.804 30 20 HCED 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C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1782175018 LISUBAUYAMJYJP-ZOMKSWQUSA-N 406.570 0.499 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)CCC(N)=O)CCO4)C3)c2c1 1782198420 RIIYOVWMXSIUPV-HXUWFJFHSA-N 410.434 0.144 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN(C)C(=O)C(=O)O)C2)C1 1782747913 PIUDLELSURMUDQ-HXUWFJFHSA-N 409.483 0.352 30 20 HCED C[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)nc3C(F)(F)F)CCO2)C1 1783519380 MMHRZSYIZJXFIM-APPDUMDISA-N 412.368 0.796 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4ccccc34)C[C@@H]21 1784483748 KIVIEZHQZVFIBN-JMVFIXPQSA-N 410.474 0.966 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCS(C)(=O)=O)C[C@@H]21 1784541130 BTCINNAPIMLZFO-RZLSGREXSA-N 406.570 0.355 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)c3cccn3C)C2)C1 1784612790 RIIMKEVFYXOQSR-NRFANRHFSA-N 417.462 0.547 30 20 HCED Cc1c(F)ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1N 1786948632 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C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OCC[C@@H]3OC)CC1 448357252 XSIRKOHEEQLFOK-KRWDZBQOSA-N 416.478 0.542 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CCN(CC#N)CC2)cc1 464982537 KFKIPTFQZMDCKJ-UHFFFAOYSA-N 421.523 0.617 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 467049008 VJRFEQZDTLYGRT-AWEZNQCLSA-N 418.479 0.048 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)CC2)c1C#N 469867913 YWODWFJCIDFKNL-DNVCBOLYSA-N 424.509 0.510 30 20 HCED CCCCn1c(N)c(N(C(=O)CN2CCOC[C@H]2C#N)C2CCCC2)c(O)nc1=O 471228282 ODFFNCSYGZFMKI-OAHLLOKOSA-N 418.498 0.831 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(S(C)(=O)=O)nc3)CC2)c1C#N 471989384 AIBJXAJUXOJMHQ-UHFFFAOYSA-N 403.468 0.753 30 20 HCED COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(OC)c(O)c1 473170810 YNIXGIPVADYUMD-OXJNMPFZSA-N 418.494 0.897 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccncc2)CC1 479899381 HNGNZWIGKQTZBR-MRXNPFEDSA-N 413.503 0.964 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(CN(C)CC)c2)CC1 480806691 NZKBGQCMWRWASL-UHFFFAOYSA-N 415.538 0.201 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480959904 YNCQZCMIVWTXMD-UHFFFAOYSA-N 424.482 0.602 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 481912509 XHCVIKVNDKNELJ-QMMMGPOBSA-N 402.358 0.678 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 484549062 BZTJXNNTGOZPON-DOTOQJQBSA-N 404.492 0.289 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C2CC2)c1=O 505690017 LAYANVLTHNKCGT-CQSZACIVSA-N 413.503 0.085 30 20 HCED C=CCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 508855842 IRBZXYWRICIYGA-IAGOWNOFSA-N 406.531 0.979 30 20 HCED CN(C[C@H](O)COCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 522043793 SGSBANUXDWPLBL-SFHVURJKSA-N 417.487 0.873 30 20 HCED C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 522792072 GJODMEHIPDIZPC-OAHLLOKOSA-N 422.507 0.483 30 20 HCED COC(=O)CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@H]1CCCO1 532976361 HFYLSOGKDPZPNO-MRXNPFEDSA-N 419.482 0.547 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(F)cc(F)c3)c(=O)n2C)CC1 534402033 GVYPFSWTANOKPF-UHFFFAOYSA-N 418.469 0.392 30 20 HCED C=CC[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 538218894 NGDYRUUDHAPUPJ-OAHLLOKOSA-N 411.524 0.688 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 538451929 DWYCVHYOLRGXAT-UHFFFAOYSA-N 408.461 0.775 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 541412951 MOWAFCOCBYNZGB-MRXNPFEDSA-N 400.435 0.792 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 555676766 WGEMMSRAHJTKQV-HXUWFJFHSA-N 400.523 0.770 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)CC1 557732818 DGVKHSJGQHAENQ-UHFFFAOYSA-N 401.511 0.896 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 561561030 KFGJOHPZNVMURG-QWHCGFSZSA-N 406.555 0.827 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(NCCC)cc2)CC1 561654365 YJOBMFMRKZHUTI-UHFFFAOYSA-N 401.511 0.571 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)n1 562311346 IGRFFXNICDZLQU-UHFFFAOYSA-N 420.450 0.185 30 20 HCED Cc1noc([C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C2CCOCC2)n1 571097715 VHTLMOXRXLTZGG-KRWDZBQOSA-N 419.463 0.812 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COCCOC)cc2)c(=O)n1C 583462659 STQOFCBUKSWMNM-UHFFFAOYSA-N 415.515 0.639 30 20 HCED COC(=O)CC1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCOCC1 584025366 DWUZEYTYNGLHFC-UHFFFAOYSA-N 409.464 0.313 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCCO[C@H]2CCOC2)CC1 588884466 UUYNOZMVOJDNOY-HNNXBMFYSA-N 417.466 0.384 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)cn1 609789194 ZZHMMTLDIQUSSY-INIZCTEOSA-N 416.463 0.147 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)NC1CCN(c3ccc(C#N)cn3)CC1)CC2 610707140 XZIPQGANNRSMHG-MRXNPFEDSA-N 410.482 0.974 30 20 HCED C[C@@H]1COCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610991090 BQHCCXCXYGBJEO-MRXNPFEDSA-N 406.508 0.502 30 20 HCED Cc1nc(=NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)n(-c2ccc(C#N)cc2)[nH]1 613661180 WMDKMEOBKJHLEM-UHFFFAOYSA-N 411.447 0.767 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 728573771 UVQDRMSOLUBIOA-ZDUSSCGKSA-N 407.858 0.942 30 20 HCED Cn1cc(CN2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 729988662 KPNKVMLPWQDNGT-UHFFFAOYSA-N 407.478 0.831 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCC(=O)NC2=O)c1 731895857 XZHCYCQQNLOWNV-ZHZULCJRSA-N 407.452 0.380 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCOCC 732562864 LTYNRNANFOWHBU-UHFFFAOYSA-N 417.535 0.582 30 20 HCED C#CCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 744364620 SYPURRZIFDTQHL-WUQYLLKWSA-N 408.502 0.957 30 20 HCED C#CCN1CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 744419007 DVHZNGIVBHAPKK-UHFFFAOYSA-N 404.536 0.224 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 747284667 BWJKPGBDCFJIRF-CQSZACIVSA-N 423.491 0.474 30 20 HCED COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)c1ccc(C#N)cc1 756748537 NLPRBQAVNCJMCV-XHDPSFHLSA-N 406.420 0.416 30 20 HCED Nc1ncncc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 756790562 KMWHCPAEXMICCM-UHFFFAOYSA-N 402.480 0.974 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([C@H]3C[C@@H]3C)o2)c1=O 758056673 AEIWXTSXVIWFDF-HOCLYGCPSA-N 423.494 0.621 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccn4)n3)CC2)c1 759025372 FYKZGOACKWIVTG-UHFFFAOYSA-N 416.445 0.880 30 20 HCED COCCN(CC(=O)N1CCC2(CC1)OCCO2)S(=O)(=O)c1ccc(C#N)cc1 761309924 BALDATWLONQBHM-UHFFFAOYSA-N 423.491 0.561 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 774447192 FWOMLSMITZBPNR-UHFFFAOYSA-N 402.382 0.319 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 777312944 DMUYUKMBQPRKNC-ZIAGYGMSSA-N 413.496 0.742 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)OC)cc2OC)CC1 782105673 DPFWWJKLPWGJCW-UHFFFAOYSA-N 401.419 0.408 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 783481315 WSICVCZBVPQSEG-QGZVFWFLSA-N 417.487 0.791 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786994506 CMTZUECZZSARIT-OXQOHEQNSA-N 408.499 0.297 30 20 HCED CN(Cc1nc(O)c2ccccc2n1)C(=O)C(=O)NCCNc1ncccc1C#N 787775301 OPFJIWLLSYQVBJ-UHFFFAOYSA-N 405.418 0.789 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 789799074 HXQPWVPCNHHRFB-SFHVURJKSA-N 418.469 0.524 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 793195229 IHSZICZSETWQQO-RWMBFGLXSA-N 413.521 0.643 30 20 HCED COc1ccc([C@H](C)C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 794524079 VDFIOKHFRAORGF-LLVKDONJSA-N 424.479 0.559 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)CCc2ccccc2[N+](=O)[O-])c1=O 795645759 XRZFTBATEFFABP-UHFFFAOYSA-N 401.423 0.584 30 20 HCED C=CCN1CC[C@@H](OC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1=O 798579064 MFSJJNVZEUYJMI-MRXNPFEDSA-N 424.475 0.846 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 799176068 CIYNGEOVBXTSHX-LJQANCHMSA-N 404.486 0.997 30 20 HCED C#CCCN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 801145084 HZGROXJJMGYLOZ-UHFFFAOYSA-N 409.483 0.628 30 20 HCED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)NC(=O)OC(C)(C)C 804042014 GYHWBLBPBYKJEX-NSHDSACASA-N 407.475 0.284 30 20 HCED CN(C)CC1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2)CC1 807401400 NXBUCXYEHIABRZ-UHFFFAOYSA-N 400.483 0.159 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3COc4ccccc4[C@@H]3O)n2)cc1 808972126 VZCNJXOAILNPLE-AEFFLSMTSA-N 418.413 0.747 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H](O)c3ccc(OC)cc3)CC2)C1=O 812632742 SXDNYIRZCZRKJT-GOSISDBHSA-N 415.446 0.944 30 20 HCED C[C@H](OC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)C(=O)Nc1ccc(C#N)c(Cl)c1 815266624 QEDOHCNGAPQNFU-JQWIXIFHSA-N 414.871 0.997 30 20 HCED C#C[C@H](CC)Oc1ccc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 816047774 OMKXOOJTRQLKOG-OAHLLOKOSA-N 410.430 0.968 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCNS(=O)(=O)c3ccccc3)NC[C@H]2C1 849086747 ONDPNDAWKYUIGU-HNNXBMFYSA-N 423.539 0.845 30 20 HCED CC(C)[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 877730120 NBFOHFRAMNSMFP-MRXNPFEDSA-N 409.464 0.152 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 916889212 LYRBIWPZYBLZPN-JKIFEVAISA-N 423.491 0.570 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(OC)ncnc1OC 1006388466 JWWCJZHQFZCMDT-ZSAUSMIDSA-N 402.451 0.947 30 20 HCED CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1154915072 LTKJZGUEMSJUPD-CQSZACIVSA-N 405.455 0.972 30 20 HCED COCCN1C[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1301868332 UNRDJWLLBWSSOL-OAGGEKHMSA-N 404.471 0.006 30 20 HCED CC(C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1302362716 PJLLFYLNFJXZMP-AWEZNQCLSA-N 405.480 0.848 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)c(C#N)cn1CC 1310893576 NRWRXNJMBCEWEE-UHFFFAOYSA-N 404.471 0.970 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1=O 1340060861 WBTZVKVYLOBJCC-WIEQDCTASA-N 409.446 0.748 30 20 HCED CC(C)C(=O)NCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1359638331 SZHANFSWYKUEKL-WBMJQRKESA-N 415.495 0.102 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1618516631 WWAHRROJUHHFPE-SJKOYZFVSA-N 412.491 0.394 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCC3(C#N)CCOCC3)cn2)CC1 1623069931 ZOIWHCZHDWXDIK-UHFFFAOYSA-N 422.511 0.605 30 20 HCED N#Cc1cn(CC(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(=O)nc1O 1626196415 MCKMSTWKMDUNMA-UHFFFAOYSA-N 417.809 0.585 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1 1635765069 QHOXOSNXMJLDIM-UHFFFAOYSA-N 404.370 0.417 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)N3CCCC3)CC2)cc1 1638675164 LCFAQXQOLBFJAI-UHFFFAOYSA-N 405.524 0.811 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C3CCOCC3)CC2)c1 1641736904 RKSOYGLFJBMPHY-UHFFFAOYSA-N 406.508 0.596 30 20 HCED CNC(=O)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1ccccc1 1655393694 ZEFXGQOEOYDHOQ-UHFFFAOYSA-N 410.478 0.752 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1656572540 SMDWNMPCLZBCLV-KRWDZBQOSA-N 404.467 0.256 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CCO1 1729679870 JXCRKLNQAOELDW-MRXNPFEDSA-N 421.465 0.437 30 20 HCED CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1761261972 ZLZODDWJCFHQSR-UHFFFAOYSA-N 411.466 0.532 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc(C(N)=O)cc3)CC2)c1C#N 1762400247 NRSSPEUFZKRANA-UHFFFAOYSA-N 419.493 0.974 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779098230 DFDKQVKGAVGEJU-GNVBUBCDSA-N 422.526 0.830 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1779422798 OOGZDMLVSIUURV-NCKXDHSNSA-N 420.470 0.461 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccnn3)C2)C1 1779468539 YGHKTUUOGVFPEJ-OAQYLSRUSA-N 407.430 0.871 30 20 HCED Cn1nc2c(c1C(=O)N1CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C1)CCC2 1780335669 CHUCEVQCRUOIGC-NRFANRHFSA-N 408.462 0.866 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691503 GBPACSAFUPFKOC-YWZLYKJASA-N 419.503 0.682 30 20 HCED CCNC(=S)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780700599 SFTUEFFQIKQRCS-HXUWFJFHSA-N 415.519 0.486 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCc3cnc[nH]3)CCO2)C1 1781264708 AZIZVAGPONHJPE-FQEVSTJZSA-N 404.467 0.682 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1781266826 AHJWMFLYMXOGKE-HXUWFJFHSA-N 404.419 0.593 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)N1CCN(C)CC1)CCO2 1781394932 DBEFNRKJBRGOMH-OPYAIIAOSA-N 423.558 0.253 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnoc1C1CC1)C2 1782010994 ODCFYKBGZYQYIQ-FOIQADDNSA-N 401.419 0.768 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc3n(n1)CCNC3=O)C2 1782196393 VJOSGDJGXKUSMY-OXQOHEQNSA-N 401.467 0.330 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783628630 SHNSBAWQWVGNCL-XAJHFOFHSA-N 407.511 0.065 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C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(NC(C)=O)o1)CCO2 1837454593 FCVNNXGYSZKWFM-HXUWFJFHSA-N 403.435 0.721 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1837626842 KARXGRFLWJDATI-HXUWFJFHSA-N 415.450 0.026 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc[nH]1)CCO2 1837787751 VVLOTMURFLVYNW-FQEVSTJZSA-N 405.451 0.594 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3C(C)C)CCO2)C1 1838018227 AWPGFSZAYSCSGQ-DYESRHJHSA-N 418.494 0.572 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838735990 DGXYFJNUDQDBTG-FQEVSTJZSA-N 412.450 0.162 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)n(C)n3)CCO2)C1 1838831810 HPCSYZAECFIPOX-FOIQADDNSA-N 422.482 0.090 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1838907433 SGQBOQFDFJMMMK-FQEVSTJZSA-N 412.402 0.636 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1839227019 IDEVYZKKRWEYNA-YWZLYKJASA-N 417.466 0.757 30 20 HCED 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C#CC(=O)N1CC2(CCCN2C(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CC[C@H]2O)C1 1841031536 PGNFPCXBOQVUCZ-FOIQADDNSA-N 405.495 0.831 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1841748033 ATHDQEARNLLNTF-AWEZNQCLSA-N 405.451 0.747 30 20 HCED COCCOCC(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1842776643 IBCAEDYLIRDMPA-UHFFFAOYSA-N 401.463 0.976 30 20 HCED CC(C)CNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545456 KSHUASDTHLAPGI-UHFFFAOYSA-N 407.496 0.346 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 57017000 DMIMZXBZVAFREX-OAHLLOKOSA-N 419.507 0.585 30 20 HCED Cn1c(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c(C#N)c(=O)n(C)c1=O 105435431 PYQZWPKDJCNXSX-UHFFFAOYSA-N 423.882 0.120 30 20 HCED COc1cc2c(c(OC)c1OC)CCN(S(=O)(=O)N1CCO[C@@H](C#N)C1)CC2 409502097 RHJFVRWGSFRFGU-AWEZNQCLSA-N 411.480 0.582 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 409591701 MOPGCSNLFTZEQR-NSHDSACASA-N 401.470 0.750 30 20 HCED CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)Cn2cnc(C#N)n2)CC1 426448857 DVPYCLOAQDRAKT-UHFFFAOYSA-N 417.514 0.543 30 20 HCED COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 426467728 KFQDLZBSUSDUQX-QGZVFWFLSA-N 402.842 0.862 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 434763055 DSYGOAOWRXOVKV-ZDUSSCGKSA-N 409.512 0.841 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccc(C#N)s3)C2)cc1 435446912 MXNFYSCOCOWKHN-UHFFFAOYSA-N 413.502 0.980 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)n1 444519805 NHAPALDMLRNCOS-IKGGRYGDSA-N 406.446 1.008 30 20 HCED N#C[C@@H]1COCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 464798469 SAIQBTGBDJJLEJ-UKRRQHHQSA-N 408.436 0.746 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21)C(C)C 465129836 AKDYUIVZLUXBPD-KRWDZBQOSA-N 401.511 0.854 30 20 HCED Cc1c([C@@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C)cnn1C 469790612 KRDDDQNQELFCHN-UZLBHIALSA-N 407.478 0.863 30 20 HCED COC(=O)C1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 486484807 GJTOICYYSNRVPR-QGZVFWFLSA-N 414.462 0.928 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1C 488243906 ZDJGKZQRCKSAPS-UHFFFAOYSA-N 417.487 0.038 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 497237548 SOTHMKDOKHBQCE-GXTWGEPZSA-N 411.505 0.732 30 20 HCED COC(=O)c1cccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1OC(C)C 508345162 VUVRVCUQGRQKNW-UHFFFAOYSA-N 400.395 0.478 30 20 HCED C=CCn1c(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nnc1C(C)(C)C 508722451 DITKQIKJHCOEJK-UHFFFAOYSA-N 422.511 0.964 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(F)(F)F)[C@@H](CO)C3)CC2)o1 511670593 JLWYMUCBFPMSOW-KGLIPLIRSA-N 415.416 0.996 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(OC)c(OC(F)F)c2)C1=O 513348397 KTJFQUAQZUMQAR-UHFFFAOYSA-N 411.361 0.932 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003496 PAPMEBLNZKMQLP-SCLBCKFNSA-N 405.480 0.371 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(CCOC)c2)cc1 518134029 BPSLVUJKPXMSFG-UHFFFAOYSA-N 421.479 0.913 30 20 HCED CN(CCCNC(=O)CN1CCC(Oc2cccc(C#N)c2)CC1)S(C)(=O)=O 523654154 IWGBRJCQCSRZEE-UHFFFAOYSA-N 408.524 0.799 30 20 HCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC(N)=O)c1C 524341753 TXEKHKZGLJPDBW-UHFFFAOYSA-N 418.478 0.793 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 533690665 KYGOILTXQVKIAJ-UHFFFAOYSA-N 422.869 0.217 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)n1 550956474 ORLPRWUHTWLIIA-UHFFFAOYSA-N 407.478 0.494 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCn4ccnc4C3)C2=O)cc1 554694429 IOPIPCSJIMZJFJ-IAGOWNOFSA-N 406.446 0.103 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)OC 560210157 WKOYUYOVSYWIGK-LBPRGKRZSA-N 403.313 0.742 30 20 HCED CN1C(=O)COc2cc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc21 571966212 HNHFTYCKYYTYFN-UHFFFAOYSA-N 400.416 0.830 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 575908271 OWJKZBICYVUYMB-NDEPHWFRSA-N 402.520 0.620 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)o2)c1=O 603792927 HOOAUYXQXYSDDI-UHFFFAOYSA-N 412.515 0.664 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 610391714 JVMAGNRVWDGEOI-IBGZPJMESA-N 416.478 0.359 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(NS(=O)(=O)CC)c(OC)c2)C1=O 623224415 ZNPVUJMDNCOPPU-UHFFFAOYSA-N 424.435 0.372 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC)c(F)c1 726584917 ZDXJIXMPSHVCMQ-UHFFFAOYSA-N 413.434 0.029 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN1CCOCC1 727106061 HHRUCJRUUYDRPF-QGZVFWFLSA-N 422.551 0.930 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)CC1 728534546 MNEVPNICDIUTQG-UHFFFAOYSA-N 415.475 0.425 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)[C@H](C#N)C(=O)Nc1ccc2c(c1)OCCO2 729187216 WCLQQFGCEKKRIM-AWEZNQCLSA-N 407.386 0.992 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nncn1C 732761421 GQBCLAIDQCNUHL-AWEZNQCLSA-N 404.496 0.627 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](OCc2ccncc2)C1 734463075 ZAUKEUNJRDBLDJ-OAHLLOKOSA-N 400.460 0.938 30 20 HCED CN1CC[C@@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 737241845 MVKZVDKRWVCCFG-AEWZPABSSA-N 421.523 0.506 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 748310859 TYOPGRWTTCQERY-HXUWFJFHSA-N 410.490 0.619 30 20 HCED CN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(=O)(=O)c1cccnc1 757574319 DVXSAZJGCWBOCQ-DZGCQCFKSA-N 423.495 0.577 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2ccnn2CC)c1=O 758082690 FOAKQIBNGPKSFU-CRAIPNDOSA-N 423.542 0.957 30 20 HCED CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 758294808 OEWYGRNAMOMGHN-BEFAXECRSA-N 418.475 0.361 30 20 HCED COc1cc(CN2CC(=O)N(CCN/C(O)=C3/N=CC=CC3=O)C2=O)cc(OC)c1 761272017 FLCGUZPOWYIZDZ-HNENSFHCSA-N 414.418 0.994 30 20 HCED C[C@@H]1CC(=NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)NO1 765377901 JSHPHEBMGJSQMB-YPMHNXCESA-N 403.482 0.007 30 20 HCED C[C@H]1CN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 767630545 NKRDWZWLRSPYFW-HZSPNIEDSA-N 409.464 0.404 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@]3(C2)C(=O)Nc2ccccc23)c1=O 777558864 VQRCETDBHJLFIY-OAQYLSRUSA-N 409.446 0.097 30 20 HCED N#Cc1ccc(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 778116741 UKXMTUMIIUGBND-GFCCVEGCSA-N 411.461 0.206 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)n1 789795164 VSHYUSKTPCYBKR-UHFFFAOYSA-N 414.466 0.998 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(NS(C)(=O)=O)c1)c1cc[nH]n1 789955234 VGKHOHBVESZRIG-UHFFFAOYSA-N 409.424 0.704 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@H](O)C(C)(C)C2)c1 791008844 RGFACFSVVILJEK-UFPHYQGISA-N 422.507 0.667 30 20 HCED Cn1cc(N2CCC[C@@H](OC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)cn1 795323462 GOMZPNZVFPVVNN-MRXNPFEDSA-N 417.447 0.309 30 20 HCED C[C@@H](C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1)n1cnc(C#N)n1 798740717 AUDICTIMHBRSML-JTQLQIEISA-N 411.465 0.290 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 799288169 WXSKKZQKSKFVOY-MRXNPFEDSA-N 409.508 0.855 30 20 HCED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 802426146 MWNUYCYDEOSJMV-UHFFFAOYSA-N 423.477 0.390 30 20 HCED C#CC[C@]1(C(=O)NCCn2cc(C(=O)OC)nn2)CCCN1C(=O)OC(C)(C)C 803644052 FPRBMDGLBBOOIW-LJQANCHMSA-N 405.455 0.974 30 20 HCED C[C@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 805586912 HYKPZMFVEWIFRH-NWANDNLSSA-N 423.466 0.759 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@H]1CCCO1 809308756 KAHVPZBCLXRKIR-ZWKOTPCHSA-N 422.503 0.614 30 20 HCED CON(C)C(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 812712295 BVWIGMQBVDUAHV-ZDUSSCGKSA-N 408.480 0.483 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCOC)c2=O)cc1 916198229 HGSDMXUGBZDOQP-UHFFFAOYSA-N 415.515 0.384 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)ccc1=O 996920933 HVLXNJNLACCHKS-WDHIOAMHSA-N 400.479 0.781 30 20 HCED Cc1c(C#N)cccc1C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 1116930091 MEYWDFHCMXOGIH-HNNXBMFYSA-N 411.505 0.141 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCOCC1 1301810252 UTCDKZKPVFQQFA-INIZCTEOSA-N 406.487 0.745 30 20 HCED COCCN1C[C@H](Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 1301861637 XISIXJJNPYAKQW-GOSISDBHSA-N 424.509 0.675 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)ccc1OC 1311965194 XPXPBZMPYIWBNA-CPUCHLNUSA-N 411.480 0.987 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1318047776 FICLSSYPNMKTCI-HZPDHXFCSA-N 404.492 0.699 30 20 HCED Cc1nn(CCC#N)c(C)c1CCc1nc(CCN(C)S(=O)(=O)N(C)C)no1 1320510585 WNYFUTOZUZYXSA-UHFFFAOYSA-N 409.516 0.863 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 1325188462 AXXAADWCWFSMBU-HOTGVXAUSA-N 416.503 0.501 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)CCOC1 1516233803 WORANHSZSBDUCE-FUHIMQAGSA-N 420.514 0.380 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCN(C)C1 1546532802 VBAITZMBIBFEQN-YWZLYKJASA-N 411.514 0.284 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)cc1C#N 1561063773 XUCLGCWJBNGNDK-HNNXBMFYSA-N 417.484 0.152 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1611687355 WKDCMGGRSOCVSF-TVNLJHNWSA-N 418.520 0.241 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(CCC#N)CC1 1642915790 KDOIZLPKALHQPC-UHFFFAOYSA-N 422.507 0.388 30 20 HCED C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1690351574 YHTZCRJBPJMICX-UHFFFAOYSA-N 413.935 0.974 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(O)CCSC1 1706622625 UEJZAJZWQJDKED-HNAYVOBHSA-N 419.555 0.461 30 20 HCED COCCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cn1 1712466482 NHLPFHBCLBSUCQ-GDBMZVCRSA-N 421.527 0.667 30 20 HCED N#C[C@H]1CN(c2nnc(C3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1712884221 IMKUQDBYZNJQIH-HNNXBMFYSA-N 402.480 0.774 30 20 HCED 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Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 431949220 HTNLMSRUYDBCBV-UHFFFAOYSA-N 413.459 0.733 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)n1 437078551 QOQSWCWSGAZOSV-HIFRSBDPSA-N 400.483 1.356 30 20 HCED COC(=O)Cn1cc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nn1 441624592 RGMFWICDRHDFBX-UHFFFAOYSA-N 405.436 0.459 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1F 441857344 VZOBTNXCOHAWBT-DGCLKSJQSA-N 420.397 0.197 30 20 HCED C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)CN1CC(=O)N[C@@](C)(C#N)C1CC1 441908368 JICWHALFNFSYME-KFVVBQDRSA-N 414.554 0.998 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 447131827 DRNACKCKSKOARN-UHFFFAOYSA-N 416.912 0.645 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CNS(=O)(=O)c1cn(C)c(C)n1 461723536 IHPJPEXTBDKXLV-UHFFFAOYSA-N 414.451 0.406 30 20 HCED C=CCNc1ncc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)s1 473910764 IJNWAUIYJLJAQX-UHFFFAOYSA-N 401.496 1.000 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 476629133 GJXLOPJMTVKPPB-UHFFFAOYSA-N 422.507 0.704 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 481248633 CYLILDODCWHITM-CZUORRHYSA-N 422.532 0.749 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(=O)C2CC2)CC1 482195006 YXTXRVGRNJXCFP-AWEZNQCLSA-N 404.492 0.348 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCCS2(=O)=O)cc1 483441085 FBNGHDIDTCXAEB-LBPRGKRZSA-N 400.482 0.529 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O 488045068 SSIJKINEEPQFEJ-CYBMUJFWSA-N 422.800 0.677 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(CC(=O)NC4CC4)CC3)C2=O)cc1 488258970 UELLBKLITJQTLE-LJQANCHMSA-N 424.505 0.265 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 498504875 KPNXDZXSKZHTCR-INIZCTEOSA-N 407.540 0.634 30 20 HCED CN(CC(=O)NC[C@@H](CO)Cc1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 504303745 JJXXNDHLQOQTRK-KRWDZBQOSA-N 402.476 0.541 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 508846981 SNWOHGRUMGFDQO-QGZVFWFLSA-N 415.542 0.833 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 509715512 ORQXWMUZDUNYSY-UHFFFAOYSA-N 405.474 0.430 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)n1 510289915 KNJPYPDSGSHMIJ-ZIAGYGMSSA-N 400.505 0.763 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511200255 QIYCVXXSCBDRKN-SNVBAGLBSA-N 412.896 0.683 30 20 HCED N#Cc1ccc(Cl)c(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 512735422 NYNJKHBLYAWHNS-AWEZNQCLSA-N 424.910 0.273 30 20 HCED O=C1CN(S(=O)(=O)c2cccc(C(=O)NCC#Cc3cccc(F)c3)c2)CCN1 513202975 VZYFRHFXZWQPJF-UHFFFAOYSA-N 415.446 0.728 30 20 HCED CCn1cc(C#N)c(=O)n(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)c1=O 513493104 QFFNWSNJZPMEPU-UHFFFAOYSA-N 404.448 0.724 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(OC)nc1 524232959 VMOMJUVOOWZNBG-UHFFFAOYSA-N 422.466 0.560 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C1=O 527015282 NEBWSQJNBSOENC-STQMWFEESA-N 401.423 0.611 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2ccnn2)cc1 542324749 HYFZJJVUZNYEIG-UHFFFAOYSA-N 406.468 0.230 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1=O 543005670 VWNKXAFGQUDKNW-UHFFFAOYSA-N 414.397 0.139 30 20 HCED C=CCN(C(=O)CNC(=O)c1ccc(Br)o1)[C@@H]1CCS(=O)(=O)C1 545309774 FDEOVMSAXZVTOO-SNVBAGLBSA-N 405.270 0.974 30 20 HCED CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)nc1 550268366 VPFLRXLLXDZHKF-UHFFFAOYSA-N 408.418 0.812 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cn1 561308488 SZURHSPOTYMFTA-UHFFFAOYSA-N 421.454 0.779 30 20 HCED COC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 576664520 PNQZFWATOZWZIG-IAGOWNOFSA-N 400.435 0.044 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 577661858 AQQIUBDVUKPNBA-QAPCUYQASA-N 401.463 0.846 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CC2 587368629 FSIOAJKHTJFWBB-GOSISDBHSA-N 409.494 0.480 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1=O 610679813 JESRYLMVVYHJDQ-BBATYDOGSA-N 403.826 0.987 30 20 HCED CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 610793729 RMOSYPOLPKEOLZ-CQSZACIVSA-N 421.523 0.806 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(S(N)(=O)=O)nc2)CC1 611199476 ROXZWQMVSICGNH-INIZCTEOSA-N 403.439 0.891 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2NS(=O)(=O)CCC)CC1 728530685 MWDYFKYQEQGXPG-UHFFFAOYSA-N 406.508 0.346 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](CN1CCOCC1)c1ccccc1 732442367 PJVRMCVYORVAMG-FTHOYRMOSA-N 413.478 0.886 30 20 HCED CC(=O)N[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(C)cc1 732908385 JTNHYVRDAWKYRW-IAGOWNOFSA-N 405.476 0.528 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734559212 QGPWAQMOASBDGR-SFHVURJKSA-N 415.427 0.809 30 20 HCED CCc1nc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccccc1 735600342 ATUGKNFKLGRQOV-CQSZACIVSA-N 401.448 0.409 30 20 HCED C=CCN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)[C@H]1CCS(=O)(=O)C1 741188332 MGWRXBWOZVDVSX-AWEZNQCLSA-N 415.512 0.267 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)CC1 747991276 HNYOTMLUSFLXOC-UHFFFAOYSA-N 414.462 0.128 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 750257353 OJWYNPTXYZKIOY-UHFFFAOYSA-N 424.410 0.000 30 20 HCED CC[C@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 756194169 FAXYBVHEAAPIKL-CHOFAJOMSA-N 424.523 0.963 30 20 HCED C[C@@H](CO)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 759110022 UZCSQWMTKLZZMW-PFKVCDDJSA-N 424.523 0.963 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1 762703603 CXLVZIUBVSPLNW-HNNXBMFYSA-N 411.418 0.879 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(Cl)c3N)CC2)o1 768565184 LDDASICFHKKHPR-UHFFFAOYSA-N 404.814 0.991 30 20 HCED CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 769076637 JKPUWEBJRKIURH-CNNWTFKKSA-N 417.466 0.520 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(CCOCC)c2=O)cn1 772304093 RUYOIAXIQMFAJT-UHFFFAOYSA-N 415.519 0.663 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC)[C@H]1CCCO1 773792120 SLGPPHVTWMHJDU-SJLPKXTDSA-N 415.446 0.545 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)[C@H]1CCCO1 773807490 YAZFGRUDQKBAIT-IAGOWNOFSA-N 405.476 0.705 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)Nc1cccc(C#N)c1 785649443 AOEPIUCRHWRYBU-DOTOQJQBSA-N 414.462 0.609 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(-n4ccnc4)nc3)CC2)c1 786004657 DYXSZSGNRUMDNW-UHFFFAOYSA-N 416.445 0.499 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786362983 MMHCJQHGNYLQLM-LTDCPUDJSA-N 411.414 0.270 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1)c1cc[nH]n1 789963048 GHIJTALHGBLSHA-OWCLPIDISA-N 421.498 0.794 30 20 HCED CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)CC2(C#N)CC2)c1 793195417 KNLXZPIRCBVIRS-UHFFFAOYSA-N 405.885 0.954 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C#N)ccn3)C2=O)cc1 803848206 KSWZDOJOVJNQGH-HXUWFJFHSA-N 423.385 0.617 30 20 HCED C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805379130 YPHZWSYCPVVCOO-UHFFFAOYSA-N 421.563 0.869 30 20 HCED CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 807299719 SBTDFRGGHAGDRC-ZDUSSCGKSA-N 412.443 0.549 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)NCC(=O)NCC#N 807552243 SCIMRPYEGXVDQR-CQSZACIVSA-N 424.502 0.221 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCCO1 808778449 XRCYHKVZSCKUKN-OALUTQOASA-N 418.925 0.875 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1)[C@@H]1CCCO1 809310464 JMPJJEUTLJVSJR-CVEARBPZSA-N 413.503 0.945 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](O)C2(C)C)cc1 813026612 DGUIVADDFOHQBF-UFPHYQGISA-N 422.507 0.810 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 916789376 VMXRCJVXLPFQJA-UHFFFAOYSA-N 420.447 0.668 30 20 HCED N#C[C@H](C(=O)NC1CC1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920109922 KVZLCLJHYFEFPS-WBMJQRKESA-N 420.447 0.983 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)cc1 1148421961 OETKBXZYYOKNLK-HNNXBMFYSA-N 422.488 0.668 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1226927789 QFSWGDVJQZXHDY-OXQOHEQNSA-N 415.498 0.342 30 20 HCED CN(C)S(=O)(=O)c1ccc(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1344382189 VHBCUOMWPCPBAW-ZCXUNETKSA-N 406.464 0.122 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c(F)c1 1346211457 CJAAOCVELKFBAQ-UONOGXRCSA-N 409.439 0.370 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCCN(CCN4CCOCC4)C3)cc2)c1N 1455213438 RXKFMMOIDUFGLA-IBGZPJMESA-N 423.521 0.853 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@](O)(CC#N)C1 1460297404 LYZQJYOKOHVNDL-KXBFYZLASA-N 422.507 0.385 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCC34OCCO4)CC2)cc1 1479160990 IYINLJMAOLBXSO-KRWDZBQOSA-N 420.491 0.870 30 20 HCED COCCn1cc(N2C[C@H](C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2=O)cn1 1527491329 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414.524 0.517 30 20 HCED Cc1nn[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835098797 QMPPQTIKSXQTGI-NRFANRHFSA-N 409.446 0.235 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837394695 IANUSHGILGUIAP-UWJYYQICSA-N 421.469 0.864 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)C3CCC3)C2)C1 1837527876 YVHKEKJFPQHKRN-UAOQYHQXSA-N 409.483 0.772 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838039109 HSADRIPMUUXNAR-MEDUHNTESA-N 404.439 0.667 30 20 HCED C=CCC(=O)N1CCC(OC2CCN(C(=O)Cn3cc(C)c(O)nc3=O)CC2)CC1 1838791335 QKRXXVLSRRZCDX-UHFFFAOYSA-N 418.494 0.832 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839223291 RMQNQISIVPLZNU-OXJNMPFZSA-N 419.482 0.276 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839648215 AASUHVUDTMBVEV-MDNBWPLSSA-N 415.437 0.694 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1839890566 GXWGHPPZOIKMPV-KRWDZBQOSA-N 413.425 0.336 30 20 HCED 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N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1OC(F)(F)F 443310272 IWRYWTUQCMGTHP-NSHDSACASA-N 420.369 0.675 30 20 HCED Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(N)c1C#N 444357106 MUDIWKMWAPUFKI-UHFFFAOYSA-N 404.452 0.305 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)n1 445195216 PIOUQZSRNRZWHI-UHFFFAOYSA-N 402.386 0.510 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(CC(F)(F)F)c1 446524698 USVXRTSCPXHDGV-UHFFFAOYSA-N 402.377 0.458 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(OC)cc2OC)CC1 447225481 BGXYIZWFAJIKOP-UHFFFAOYSA-N 408.430 0.228 30 20 HCED Cc1nsc(N2CCN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)c1C#N 461192700 JSCNKXWKJUMKQZ-UHFFFAOYSA-N 402.480 0.740 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([S@](C)=O)c1 465417783 QINGEFWQJPCMET-MUWSIPGASA-N 412.475 0.761 30 20 HCED CCc1nn(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)c(=O)c(C#N)c1CC 470832183 OXFODAUHXFTUKU-UHFFFAOYSA-N 403.464 0.834 30 20 HCED CCN1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480827142 LSUHJHIHIKKILP-MRXNPFEDSA-N 407.540 0.369 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486616315 NJRKGYPCZLOZGM-OAHLLOKOSA-N 417.447 0.537 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(CS(N)(=O)=O)cc3)C2=O)cc1 489208951 UMJIAFJTQOLPFK-GOSISDBHSA-N 412.471 0.878 30 20 HCED N#Cc1ccc(CSCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 496657024 GLBATKFOFDJBIB-UHFFFAOYSA-N 414.487 0.611 30 20 HCED C[C@@H]([C@@H](C)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O 499328756 RYAWDCGDYGYDAO-OLZOCXBDSA-N 401.510 0.459 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505502094 BQNKGTLYZQCOQN-JYJNAYRXSA-N 414.418 0.552 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2F)c1=O 505664109 OLRLPXZZCLTYSD-UHFFFAOYSA-N 423.473 0.862 30 20 HCED C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 505983851 DXTIQFGHWTVFOB-CJNGLKHVSA-N 409.533 0.847 30 20 HCED CN(C)Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1Br 508305220 KHMONFFQBJMOCY-UHFFFAOYSA-N 420.271 0.729 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CNC(C)=O)C1 508886596 CFSFVKUOMNCIKU-CQSZACIVSA-N 404.496 0.797 30 20 HCED Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1 510609339 YXYQIKQJCDLIOY-UHFFFAOYSA-N 411.466 0.699 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 513125314 CPYRMCMOBOMGBH-JTQLQIEISA-N 422.326 0.881 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(COC)cc2)c1=O 525686829 PKTIEVRVGBAUNR-UHFFFAOYSA-N 415.515 0.732 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(O)(CN2CCOCC2)CC1 536996362 YCABNOJWSDXTJI-UHFFFAOYSA-N 424.505 0.842 30 20 HCED Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1S(=O)(=O)NCC#N 537129433 UOOJGPQUODPGHO-LSDHHAIUSA-N 408.480 0.163 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(CC(F)(F)F)c3)CC2)n1 546903640 LYQMAVRMQLAWQR-UHFFFAOYSA-N 407.356 0.999 30 20 HCED Cc1c(NC(=O)C(=O)NCC(=O)NCC#N)nnn1Cc1ccc(C(F)(F)F)cc1 551263598 BOTMZSQBPRRGHB-UHFFFAOYSA-N 423.355 0.348 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](c3ccco3)N(C)C)CC2)c1C#N 555656153 RFXJPQIJJXFODI-MRXNPFEDSA-N 413.482 0.261 30 20 HCED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 558995989 VYCPDXXSZLGPTQ-MRXNPFEDSA-N 402.499 0.629 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc(O)[nH]c4n3)CC2)cc1 563873766 TYGSXCRAIPEYIH-UHFFFAOYSA-N 412.431 0.682 30 20 HCED Cn1c(NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)c(C#N)c(=O)n(C)c1=O 565498437 XOVXDRXXGRUJDD-UHFFFAOYSA-N 416.381 0.990 30 20 HCED CN(C)CCN(Cc1ccccn1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568406464 JJZXIXWTTNLGCO-UHFFFAOYSA-N 401.492 0.822 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@]2(CCCOC2)O1 568453801 IISQGMJGIRDNLY-XOBRGWDASA-N 410.434 0.874 30 20 HCED COc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)c1 573850755 AURWFEOCIBZFAH-UHFFFAOYSA-N 415.475 0.589 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1F 577990869 DZCXGMIMWDYGAG-CQSZACIVSA-N 412.443 0.241 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)nc1 608951564 OIAUHIRZJMZYJB-SLUIBLPYSA-N 405.458 0.845 30 20 HCED COc1ccc(C#N)cc1NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 609844418 HHSOPKIZMQJJBH-HNNXBMFYSA-N 401.467 0.964 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)cc1 612272802 XLLZXYITEDPFSL-GOSISDBHSA-N 408.480 0.702 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC(=O)NCC#N)cc1 731233538 KTXYLAWELGGIEP-MRXNPFEDSA-N 407.448 0.615 30 20 HCED CC(C)NC(=O)Nc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732910621 SOKIVPBNKDTVRZ-HNNXBMFYSA-N 406.464 0.796 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCCn3ccccc3=O)CC2)o1 735147014 HCMOJVAANGIPLV-UHFFFAOYSA-N 413.434 0.689 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 735586912 FWRHQMBTFWSFAK-OQKWZONESA-N 421.523 0.648 30 20 HCED O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCc1ccc(C(=O)NO)cc1 746268902 QEHZPAOSFPYASB-NRFANRHFSA-N 408.414 0.815 30 20 HCED COC(=O)c1ccc(OC)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 747268703 WTBSPNJQKMPHBY-NXVVXOECSA-N 409.420 0.287 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 747741206 AWJKLUDLYYIPIK-UHFFFAOYSA-N 407.492 0.213 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2ccc([S@@](C)=O)cc2)c1=O 749968132 JZTZIGBXIJBFAJ-MUUNZHRXSA-N 404.492 0.371 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCNC(=O)C1CCC1 752741788 OTPVOFNFKMPJCE-UHFFFAOYSA-N 406.508 0.928 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)[C@H](C#N)C1 757588587 NULDDNHGEFXIGO-CHWSQXEVSA-N 407.471 0.972 30 20 HCED COCCn1c(=C(C#N)C(=O)c2ccc(C)cc2)sc(=Cc2ccnn2C)c1=O 764979291 DTYVDAICQGDFOZ-UHFFFAOYSA-N 408.483 0.984 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1 765145824 OJCAGRQCPXXMLK-UHFFFAOYSA-N 408.439 0.998 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCCCS(=O)(=O)c2cccc(C)c2)C1=O 766198330 DAMJLRDWKVEQJN-UHFFFAOYSA-N 408.432 0.679 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)nc1 766759429 MTDJHHUDJVQDTH-UHFFFAOYSA-N 409.855 0.861 30 20 HCED C#C[C@H](C)N(C)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 769976279 YEACPJDLLMTCIX-HNNXBMFYSA-N 413.478 0.512 30 20 HCED C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 771375866 BLABNEASEHGQIU-SFHVURJKSA-N 407.833 0.914 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1)[C@@H]1CCCO1 773788785 KGIBIGIKFGJODM-JQFCIGGWSA-N 410.434 0.713 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)nn1CCC#N 784638846 DIHCRXBOXMWAIT-GFCCVEGCSA-N 402.484 0.867 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N 787601690 FTRSFTPIEWQJOT-AVGNSLFASA-N 404.423 0.488 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(CC(=O)OC)CC3)ccc2c1=O 788600808 KVZRASNHJIHSFS-UHFFFAOYSA-N 402.476 0.802 30 20 HCED Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)CCc2ccccc2)nn1CCC#N 800662892 DFEFJNNAXLBRON-UHFFFAOYSA-N 417.491 0.817 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800912124 DXJFKYOFDMDJCM-SNVBAGLBSA-N 406.452 0.616 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1 815859657 JGSZTZXHCSRSNM-UHFFFAOYSA-N 420.535 0.871 30 20 HCED C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 816670647 BDASOYRDMAITKA-LLVKDONJSA-N 419.297 0.488 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839228962 DUJMNWNXZCSPQH-UHFFFAOYSA-N 405.483 0.497 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCc4c3cnn4C)nc2)CC1 915947797 GMXAJLXLVHBMER-UHFFFAOYSA-N 403.512 0.904 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2OC)c(=O)n1C 917779793 IUCCRNXPSXIGKA-UHFFFAOYSA-N 421.906 0.765 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2ccnc2)c1 918245828 NUWMUGYZQOBHMP-CJLVFECKSA-N 418.479 0.451 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 967216256 RYBMVXIWQXFTQS-NTHNXFDUSA-N 415.534 0.746 30 20 HCED COC[C@@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1116248546 UQIHRWOIQBNYEX-IFXJQAMLSA-N 402.407 0.458 30 20 HCED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1251969400 QVSVZSMFOCMKGY-XJKCOSOUSA-N 418.475 0.797 30 20 HCED Cn1nccc1[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1306844004 YXGPKOYIJXFGQK-PBHICJAKSA-N 403.464 0.607 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N[C@H]1CCS(=O)(=O)C1 1323257173 MNVPBCCESJKVKI-AWEZNQCLSA-N 424.504 0.208 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)CN2CCN(CCC#N)CC2)c(O)nc1=O 1331776929 ZEOMFASDKYUKBE-UHFFFAOYSA-N 405.503 0.215 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 1469403184 RYNBYEFZASMGHV-UHFFFAOYSA-N 422.511 0.435 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCC1 1510226070 WAZZOZFKYPAWBU-KGLIPLIRSA-N 412.516 0.312 30 20 HCED Cn1cc(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(O)nc1=O 1561530996 UBKZUNMFICQKGU-CQSZACIVSA-N 423.882 0.710 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN([C@@H]2CCOC2=O)CC1 1566711032 VUITUJSBYAMCRC-OAHLLOKOSA-N 420.491 0.011 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1618827252 OKKYZTQSBTXYMY-UHFFFAOYSA-N 406.454 0.455 30 20 HCED COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C[C@@H](O)C(F)(F)F 1643616951 OHPIEZBSPKDHFJ-CQSZACIVSA-N 419.404 0.375 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682384697 JGPGSUOZCAFMKR-ZWKOTPCHSA-N 406.508 0.634 30 20 HCED CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1695901562 QOBNQIHNXFSRIT-KRWDZBQOSA-N 418.546 0.173 30 20 HCED Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1724592450 ZAQIUGKPDUITLP-HNNXBMFYSA-N 404.496 0.874 30 20 HCED CCN(CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1)C(C)C 1728500905 OWJDRBISYOPWAP-LSDHHAIUSA-N 413.548 0.347 30 20 HCED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1747539277 PPVKAOHZMYRPTQ-INIZCTEOSA-N 408.466 0.461 30 20 HCED CC(C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1750628400 RNYRDJOEKTXEPA-INIZCTEOSA-N 411.463 0.951 30 20 HCED COCCN(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1771078333 JJHWAPZPAAGMEE-HNNXBMFYSA-N 414.470 0.232 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4ncccc4n3)C2)C1 1777951931 NYJMGBMFMKIEPY-IERDGZPVSA-N 413.478 0.746 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c1Cl 1778938520 CMIOPYBLQLAEMN-IBGZPJMESA-N 415.837 0.531 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1779069055 JWLHEECXOFRTLY-OAQYLSRUSA-N 415.494 0.197 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3nccnc3C(N)=O)C2)C1 1779935238 QIGPXGVWEOCGPP-QVKFZJNVSA-N 413.478 0.669 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)cc1 1780698885 TUVQZANLABNHPO-LJQANCHMSA-N 403.460 0.820 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781105857 HMHPJMGCIOIJGI-PXNSSMCTSA-N 424.611 0.551 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)[C@H]1CCCS1(=O)=O 1781649721 IVHSXIGHGZLJRK-MBOZVWFJSA-N 408.520 0.491 30 20 HCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781968080 CTRDYYKAGLLAGC-LJQANCHMSA-N 423.466 0.576 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1783164187 ATRPCGRSIPECAG-VQIMIIECSA-N 403.439 0.719 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)N4CCN(C)CC4)C[C@@H]32)C1 1783464959 MQFCESSKGVGMLM-UMGGQSCQSA-N 404.555 0.568 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3OC)C[C@@H]21 1784501202 HNACOYIQVHKHCI-VGWMRTNUSA-N 404.467 0.670 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)[C@H]2C1 1784523437 GITOGZGWTWKJJH-AJNGGQMLSA-N 422.494 0.858 30 20 HCED CC(=O)N(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1784935419 QRGYXZIXGUUPQP-BQFCYCMXSA-N 401.467 0.348 30 20 HCED CN1CCN(C2(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C5(C#N)CC5)[C@H]4C3)CC2)CC1 1786697440 YNFYNCYWUQHZPC-BZSNNMDCSA-N 415.538 0.050 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)c1 1787118318 ZSSFRKUHILWNMP-UFYCRDLUSA-N 422.489 0.762 30 20 HCED 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HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OC)CC3)C2)C1 1840294821 NFXWXDLWFNFLLP-HXUWFJFHSA-N 406.479 0.590 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)COc4cccnn4)CCO3)C2)C1 1840407007 PSNGJWUBEHTHCZ-FQEVSTJZSA-N 402.451 0.278 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cncn3)CCO2)C1 1840420492 LTTQRECBYUNTDN-FRQCXROJSA-N 422.486 0.096 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)C1 1841541423 UZMXHMKLBNFXKN-IAGOWNOFSA-N 417.506 0.831 30 20 HCED O=C([C@H]1CCCS1(=O)=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844302566 CLDNXZZIKZRZGU-FCNSZNEASA-N 413.496 0.296 30 20 HCED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)C[C@@H]1NC(=O)NC1=O)C2)c1ccccc1 1844334638 LLLAHCSECADWBC-MSOLQXFVSA-N 422.485 0.985 30 20 HCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845004263 AXASOPZOLBVPEZ-ZDUSSCGKSA-N 401.394 0.235 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1845188714 YCKXFOAQENXARC-MRXNPFEDSA-N 424.450 0.194 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CC=CC[C@@H]2C(=O)OC)C1 1846338138 QNRYDLZAAYUJEH-PZWJTGQCSA-N 415.490 0.804 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CNC2=O)C3)c1 1846826542 MYSLQMSNRZNLLT-CQSZACIVSA-N 409.446 0.682 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979660 FTJDDOIDNSXYTL-HNNXBMFYSA-N 413.478 0.848 30 20 HCED CCn1c(CCC(=O)/N=C2\N=C(O)CN2)nc2cc(S(=O)(=O)N(C)C)ccc21 50222784 WGVZBHAQFDVNKY-UHFFFAOYSA-N 406.468 0.681 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)c1 64764466 YRNYFIBJBBBLHM-UHFFFAOYSA-N 402.432 0.730 30 20 HCED COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 410129409 HVZBLPHFZDHPAW-HOCLYGCPSA-N 408.480 0.876 30 20 HCED C[C@@H]1CCS(=O)(=O)CCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 433255611 HYXCUPJNUKRGPC-HZPDHXFCSA-N 410.565 0.966 30 20 HCED C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 435221749 ZTCSVYIJSWUHJS-SPLOXXLWSA-N 414.462 0.864 30 20 HCED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCC#N)CCCN(C)C)CC2 438764327 OBRZLOVGIVIKKX-UHFFFAOYSA-N 421.523 0.178 30 20 HCED C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 440274057 GMXRWVIMBOTNOB-NSHDSACASA-N 400.826 1.025 30 20 HCED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441847096 UYWKEKFDLIOHHL-HNNXBMFYSA-N 409.450 0.855 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1C(F)(F)F 442173203 KTPPTEZMPMHSBB-UHFFFAOYSA-N 404.370 0.667 30 20 HCED CCOC1CC(O)(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 444610710 DTUNUDKSOGABIZ-NGEICVOHSA-N 400.435 0.809 30 20 HCED C[C@H]1Oc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2NC1=O 446526468 KVWGFDREPGSGHY-CQSZACIVSA-N 415.450 0.419 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(CCC(N)=O)CC1 460734336 KDEMAWUVFKVKTO-UHFFFAOYSA-N 409.450 0.890 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)c1 468380100 SKFMMVBEAIYSJH-AVRDEDQJSA-N 408.458 0.697 30 20 HCED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@@H]1CCCN(CC#N)C1 473700954 YWTMBQZPZJXYGO-GUYCJALGSA-N 400.401 0.970 30 20 HCED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)ccn1 474423175 XPSXWPCMWIHIEA-UHFFFAOYSA-N 412.431 0.682 30 20 HCED COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 475433376 IEFDEOKQIQDQAL-UHFFFAOYSA-N 402.451 0.991 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 482399788 CPYALBNLWXHPAL-MLGOLLRUSA-N 418.500 0.986 30 20 HCED C[C@@H](C#N)CN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)C1CC1 484366718 GBWWFKLMHGFBCB-ZDUSSCGKSA-N 405.480 0.955 30 20 HCED N#Cc1ccc(OC2CCC(N3C(=O)[C@H]4CS(=O)(=O)CCN4C3=O)CC2)nc1 484478246 ZRRRCHDQHGYKCJ-YMAMQOFZSA-N 404.448 0.704 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C)o1 486005520 LQFWXSZTVIJCGU-INIZCTEOSA-N 416.459 0.899 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)c1 494157578 NYMUZPJBMFEQRM-UHFFFAOYSA-N 415.537 0.695 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccccc3C#N)C2)cc1 503217002 DUZMIONNDBCIGJ-UHFFFAOYSA-N 407.473 0.918 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)nc2n(C)c1=O 504971682 VIOCGTHFJCXEDJ-UHFFFAOYSA-N 422.420 0.605 30 20 HCED Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 505643506 DOIZCLWAELCAAN-ZDUSSCGKSA-N 414.491 0.963 30 20 HCED N#Cc1ccccc1N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 508036034 DLOPEVPQDSRRQU-UHFFFAOYSA-N 406.489 0.717 30 20 HCED C[C@@H]1COCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 513975345 BHCCRRUJEYRYHG-INIZCTEOSA-N 406.508 0.359 30 20 HCED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 517425851 WKGPUNHVEUDZFO-AABGKKOBSA-N 423.517 0.861 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)C2)nc1 520436991 MPMHIFGSVKTJKL-AWEZNQCLSA-N 415.431 0.219 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)n(CCC#N)n1 526136592 JFKYBIIHXWQOOY-UHFFFAOYSA-N 420.433 0.984 30 20 HCED CC(=O)NC1CCC(N(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 542246211 MNPBOWPPSQWCMZ-UHFFFAOYSA-N 402.499 0.882 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)CCn3cc(S(N)(=O)=O)cn3)n2)c(F)c1 543919634 MZDBFAYGEKINQP-UHFFFAOYSA-N 403.399 0.756 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)C1 548572020 IEYYGEUTFAQERK-MRXNPFEDSA-N 409.464 0.965 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 550660251 LXYYQUFCWHRBJA-UHFFFAOYSA-N 406.446 0.407 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCc1nc2ccccc2[nH]1 551253291 YXHNPPLOAJFLLE-UHFFFAOYSA-N 408.466 0.880 30 20 HCED CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 551446678 GYOZUNCTSKOWKG-ZFWWWQNUSA-N 400.439 0.352 30 20 HCED COCCCN(CCO)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 554149959 GQNAWCVAEIWNAL-INIZCTEOSA-N 406.458 0.640 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)c1C#N 555192585 QYAONRGGDZWGFN-UHFFFAOYSA-N 418.479 0.381 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 556123297 QMMODIDRAVVUQY-UHFFFAOYSA-N 408.524 0.368 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCc2ccc(C#N)cc21 559474931 YCFRYWNSYDJWRJ-AWEZNQCLSA-N 401.430 0.846 30 20 HCED CO[C@@H](CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 577197270 UCQHKVBXCHNBGR-SFHVURJKSA-N 410.478 0.753 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)n1 577788064 RKHVEGLQJYJLNW-JSGCOSHPSA-N 408.340 0.992 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 578950304 LRRJRETUDBJHRW-SJORKVTESA-N 419.507 0.382 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1)C(C)C 584520773 ZNLJTZLMFNPESV-IRXDYDNUSA-N 414.572 0.341 30 20 HCED CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 585761030 RYIGVHDPNUDZOB-BLLLJJGKSA-N 417.441 1.096 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)N[C@H](C)c3cccc(C#N)c3)CC2)n1 587699694 AZWFZYGGGRQPFO-CQSZACIVSA-N 412.450 0.609 30 20 HCED Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 589159394 QAVJLBDHBDOFKA-UHFFFAOYSA-N 410.480 0.546 30 20 HCED N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 589261836 VGSYATNIMWTSFM-MRXNPFEDSA-N 405.480 0.222 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 590272811 WPDFLEVQXVFTOO-KRWDZBQOSA-N 407.430 0.860 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCS(=O)(=O)C3)CC2)cc1 590420955 UFDYOLUMFOQRAK-HNNXBMFYSA-N 411.505 0.216 30 20 HCED CSc1nc(C2CC2)cc(C(=O)NCC(=O)NCCN2CCOCC2)c1C#N 609533062 WICYZABGSHUFCS-UHFFFAOYSA-N 403.508 0.731 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCOCC 610358243 MWCMPTUXANXKFX-UHFFFAOYSA-N 414.487 0.830 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)C1 613103079 VDCPGRAXVNALRA-SFHVURJKSA-N 422.493 0.316 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 670229743 OZTWJTBUJJPMGJ-UHFFFAOYSA-N 412.471 0.616 30 20 HCED CC(=O)N1CCN(C(=O)CCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=N)CC1 730843594 HYTCMQJXANAXCK-UHFFFAOYSA-N 424.505 0.727 30 20 HCED Cc1nnnn1-c1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 732432770 YWONRUSXIGMWLP-FOCLMDBBSA-N 400.374 0.758 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CC1 732798458 YBZNAWHMUXWSSB-ZDUSSCGKSA-N 415.519 0.676 30 20 HCED CCOC(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737236708 XNGRWGNUKIPRDI-RCCKNPSSSA-N 424.479 0.507 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 740511017 WQIYWCMOPLBQPJ-UHFFFAOYSA-N 418.519 0.403 30 20 HCED C[C@@H](CC(=O)NCCNc1ncccc1C#N)/N=C1/NS(=O)(=O)c2ccccc21 742580859 VCXWAIFUHCBZHP-ZDUSSCGKSA-N 412.475 0.999 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 743898830 JUQDBDPWTAHVGM-UHFFFAOYSA-N 418.469 0.693 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 747822763 FGXYTLXGKRDONU-UHFFFAOYSA-N 420.535 0.645 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 749291630 VHCAPIVHFXPOAX-LLVKDONJSA-N 401.466 0.456 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N(C)C(=O)OC)cc2)CC1 749666216 FYBNKEQROWLTHX-UHFFFAOYSA-N 417.466 0.274 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 758224618 DYWVLIAIGYITOB-IKBYJFNHSA-N 420.495 0.741 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)CC1 759022652 OPCVWUGTVNYOFU-UHFFFAOYSA-N 416.445 0.880 30 20 HCED O=C(O)CCCNS(=O)(=O)c1ccc(C(=O)/C=C\c2cn(CC(=O)O)nn2)cc1 759077391 XERUVXRAVXVFGX-YVMONPNESA-N 422.419 0.402 30 20 HCED COCc1ncc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)c(N)n1 763348479 YEKHWZKEWRIIEK-UHFFFAOYSA-N 401.408 0.494 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 763719703 ZBWSTRYQJUQYPA-OALUTQOASA-N 405.520 0.971 30 20 HCED N#C[C@H](C(=O)C[C@H]1COC(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766261290 KHIGOLMNLGMELE-CZUORRHYSA-N 400.391 0.905 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC2(CCOCC2)C1 768382921 CFXVDKAEJNGWDQ-UHFFFAOYSA-N 407.492 0.913 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 772635178 WIQLVHRITKKRNX-UHFFFAOYSA-N 418.288 0.644 30 20 HCED CC1(C)OC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 783271265 MSDCPRWCGNKAGO-HNNXBMFYSA-N 408.480 0.726 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1C(N)=O 786913967 ZYRNYWTVABIESO-UHFFFAOYSA-N 401.448 0.572 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 787787274 INWIVHVYOGFGHQ-QGZVFWFLSA-N 412.494 0.921 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cscn2)c1=O 794580400 DFGKOVFPZRCLQS-GFCCVEGCSA-N 405.501 0.511 30 20 HCED CCN(C(=O)COC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 795821727 BFKDCOKVTWEGDP-SJORKVTESA-N 403.460 0.819 30 20 HCED CCOC(=O)C(C)(C)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 798637295 MJTLYXWAGGNDOF-GFCCVEGCSA-N 410.448 0.927 30 20 HCED CCN(C(=O)COC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CCS(=O)(=O)C1 798799747 ZXXNAZJEPNUVIV-INIZCTEOSA-N 416.459 0.936 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 799285766 KHNUVWQWKRPJKK-CQSZACIVSA-N 410.448 0.096 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 800139515 MVZMSEUJNDKNOO-UHFFFAOYSA-N 400.423 0.484 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 803784417 CWLJROCOLWFICF-UWJYYQICSA-N 415.446 0.980 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1 810772822 GOTNQAYAHNTPDO-SNVBAGLBSA-N 403.438 0.509 30 20 HCED C=C[C@H](O)C(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 814543671 BRIYNGZFJPGLAA-ZFWWWQNUSA-N 412.464 0.433 30 20 HCED CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 831716256 RPTPEPOAQYIZBJ-CYBMUJFWSA-N 413.521 0.541 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C)c2)c1=O 837714389 LSRYYSTWOHGPLL-UHFFFAOYSA-N 411.487 0.712 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2)c1=O 838164206 RTPULOVMBCYZAY-CQSZACIVSA-N 401.488 0.210 30 20 HCED Cn1cc(/C=C\C(=O)[C@@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c(=O)n(C)c1=O 916879778 HDNPRVKIRQLMHS-QIAWRQBBSA-N 418.417 0.484 30 20 HCED C=CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C)[C@H]1CCS(=O)(=O)C1 919989796 VSUXZWSIXOGHIL-AWEZNQCLSA-N 417.553 0.871 30 20 HCED C=CCCn1cc(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@H]32)nn1 960447367 UNSAZZQXDRGAEL-AUCOVLEWSA-N 413.478 0.329 30 20 HCED Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2N=c2cc[nH]c(C#N)n2)cn1 1047703110 CUYGBTDYYXAACO-IBZGSYRLSA-N 405.462 0.334 30 20 HCED C=CCOCCN1CCOC[C@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1130849715 PGQTVTUUZCYTDC-ZHHZMWCQSA-N 403.483 0.420 30 20 HCED Cc1ccnc2[nH]c([C@H](C#N)C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)nc12 1263377026 PEMAYPMANAFWJW-RWMBFGLXSA-N 401.448 0.478 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)Cc1cccc(C#N)c1 1309577414 QCEBMTWXNUIVJN-HNNXBMFYSA-N 414.505 0.829 30 20 HCED CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1314924041 RARDXWHJQFWRDZ-LEWJYISDSA-N 409.494 0.585 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1C 1321099195 CJDRNKAKJHUPCM-UHFFFAOYSA-N 407.499 0.877 30 20 HCED CN1CCN(c2cc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccn2)CC1 1321745708 MNKZIUAZMKOCNF-VHEBQXMUSA-N 413.482 0.159 30 20 HCED CN(C)c1nccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1341775440 JLLBORVGHGWYRD-MRXNPFEDSA-N 407.434 0.936 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)n1 1342569434 NTOBOAKZSFOZIA-UHFFFAOYSA-N 407.434 0.868 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCOCC1 1511890562 XJUJGESXXYKJDM-INIZCTEOSA-N 411.514 0.686 30 20 HCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1517026755 WUWJRJSZVXUNDG-AWEZNQCLSA-N 409.516 0.251 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1611287286 SKSNWZAWMNNYRM-AWEZNQCLSA-N 409.516 0.288 30 20 HCED CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1635063997 LKSZUHXGEHRSBO-CYBMUJFWSA-N 405.455 0.974 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)n1 1693432674 XNZFYOGNENVJNW-KRWDZBQOSA-N 412.498 0.927 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1694782428 VSLVQLPFJMKDLN-OAHLLOKOSA-N 417.495 0.081 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCOCC2)C1 1731181988 JILLRQCVIHSEFP-HXUWFJFHSA-N 413.457 0.988 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1767960336 YOOHRKGEGNFHAT-HNNXBMFYSA-N 420.495 0.500 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1769350038 VBCFPQDPORRGSJ-QGZVFWFLSA-N 413.482 0.940 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1778972731 DMCOPQMEKGRZNA-KPOBHBOGSA-N 412.483 0.005 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061029 NSNVDZAJUHUGTO-QFIPXVFZSA-N 414.506 0.871 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1779100403 VURZLNISBDBEOU-XCKVFWMBSA-N 418.450 0.293 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@@H](N)C(N)=O)C2 1779271708 RMOXUFFXVBAJRS-KCXPTXFHSA-N 420.554 0.862 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779339338 IMSZABMPILPKBD-NRVIRDBHSA-N 421.538 0.600 30 20 HCED Cc1ncncc1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779666684 SJCVSLJQXFOWFS-HXUWFJFHSA-N 400.483 0.510 30 20 HCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c4c3OCO4)C2)C1 1780234419 KUSVBCJZWNMRLU-GOSISDBHSA-N 402.363 0.681 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781090587 RUINEIUUWUVCGT-PXNSSMCTSA-N 410.584 0.371 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(CC)nn1C)CCO2 1781270794 WKOBZSLPZMNTLX-OAQYLSRUSA-N 418.494 0.935 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1781270803 XAHMTKHBUZEWRO-FOIQADDNSA-N 407.467 0.016 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1)n1ccnn1 1782762128 KIZGIPNQCORJLL-UOGCTUSDSA-N 420.470 0.198 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)CCO2 1783114236 NTIACCCJWQGIIE-MDOVXXIYSA-N 411.499 0.872 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1783530116 GRVFIEWRZFPLSH-AUYWWFPISA-N 421.497 0.876 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1783566514 WESLVIDJCKVNDA-IBGZPJMESA-N 400.366 0.234 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(C)n[nH]c3C)C[C@@H]21 1784483051 WGWXJUGSCPFCCY-CAMMJAKZSA-N 402.495 0.587 30 20 HCED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1785466639 RGUXNXSYYOQNMS-YEWWUXTCSA-N 412.425 0.733 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)CC)CCO2)C1 1785577205 VCUSGFPFSJGAGT-QVKFZJNVSA-N 421.494 0.712 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1ccc(O)nn1 1785843868 QAAZQFMVYBNTNX-LNLFQRSKSA-N 406.442 0.827 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21)c1ccc(=O)oc1 1786280606 ORYNSWJTZXFGOP-QPAVWZTMSA-N 413.430 0.945 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccc3C)[C@H]2C1 1787701607 RDTVVIJCTGBIEL-PMSLMXJFSA-N 412.490 0.842 30 20 HCED Cn1ccnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601951 YCTLUMFXLAVYOF-MZLZWJEBSA-N 402.499 0.485 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](O)[C@H](C)CC)C[C@@H]21 1789890121 KUUJEFIBGOSIMK-PJHRJCEYSA-N 410.511 0.883 30 20 HCED C#CCCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1791438288 ZCGUIMYRMNHTKV-SZMVWBNQSA-N 417.466 0.965 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=S)NCC)C2 1793352568 YFVDVCRXRXAEMA-JLVBRIDZSA-N 412.556 0.043 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1c[nH]c2ccccc12 1795835714 ZUHNXHVJKXVJCU-MFKICJERSA-N 409.442 0.778 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796184627 QRIKIQZSAFOHDF-OXIQGZBJSA-N 404.496 0.624 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])c1 1796404141 IPWHFGVTLQWAIH-QDMKHBRRSA-N 410.390 0.707 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Nc1cnccn1)C2 1799394611 PLSLQLNPIXUHPN-MAPUTHEBSA-N 418.498 0.668 30 20 HCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1802186414 XJWRMJOTQMTVPK-LXTVHRRPSA-N 407.467 0.714 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(NC(=O)OC(C)(C)C)CC1 1802226475 JDYMTFZVOKJNNS-YIYPIFLZSA-N 413.540 0.952 30 20 HCED C[C@H](S)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1802291056 MLQNCUHFZVYZPE-NWBUJAPZSA-N 406.508 0.949 30 20 HCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC1(O)CCCCC1)C2)n1cnnn1 1803086544 ITISGMBHGMGAJP-WCXIOVBPSA-N 400.483 0.571 30 20 HCED N#Cc1ccccc1OCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C2 1804127665 BKWWUTZDICIUFW-YVSFHVDLSA-N 413.478 0.168 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN3CC(=O)NC3=O)[C@@H]2c2cccnc2)CCC1 1804192094 JWQLVXXLDJLILB-YJBOKZPZSA-N 424.461 0.333 30 20 HCED COC(OC)C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807143279 LIAMGGRYAUHWCO-IRXDYDNUSA-N 417.510 0.988 30 20 HCED CN1CCN(C2(C(=O)NC[C@@H]3CCN(C(=O)CC#N)[C@H]3c3cccnc3)CC2)CC1 1807939609 CLGVZHJEDZGLPK-ICSRJNTNSA-N 410.522 0.781 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810248622 MLNKQHAJXPXUAA-RYRKJORJSA-N 413.482 0.347 30 20 HCED CNC(=O)CC(=O)N1CC[C@H](CNC(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1810389357 WWZOKNRQSIRYMZ-GCVSMSDNSA-N 411.462 0.936 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)c2ccc3nn[nH]c3c2)[C@H]1c1cccnc1 1812301367 HXGGQKUYBJQOEO-FOIQADDNSA-N 418.413 0.761 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881643 YDWRTLMKVODVLY-IDHHARJASA-N 410.434 0.103 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CSCC(=O)O)[C@H]1c1cccnc1 1813084007 HQZIOGPZXDROSB-SIXWZSSISA-N 419.503 0.944 30 20 HCED C#CCCC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1814101280 AHVKBNWTYNLSHS-OXQOHEQNSA-N 420.473 0.755 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C=CCN2)CC1 1823743587 CRZCBLYKDNZNPQ-VXOKQSJXSA-N 400.523 0.993 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CSc1ncccn1)CC2 1825665182 XWZURCKTYDWJBG-SNVBAGLBSA-N 417.472 0.725 30 20 HCED CCNC(=S)NCC(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)S)sc2C1 1826027730 LSLZQQLVXHIYPM-DTWKUNHWSA-N 401.583 0.857 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(F)nc4F)CCO3)C2)CC1 1829528327 KAEGUAJAOAYDFK-IBGZPJMESA-N 406.389 0.734 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@H]5C[C@@H]5C4)C3)C2)C1 1829669321 WFPGTAJITSLPCZ-VGYLUTEMSA-N 403.523 0.749 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)n1 1829900458 DFUHTSKYDRPPOH-JOCHJYFZSA-N 423.473 0.604 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1830058319 VUGVCNCFYPQLKU-QFIPXVFZSA-N 417.506 0.691 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1830061552 KMJZFIMOYKWUDP-HXUWFJFHSA-N 412.450 0.578 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1831486868 HKGZUXZVIQIFQH-CXAGYDPISA-N 414.553 0.750 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)c(C)c3)CCO2)C1 1833294587 SMOLQPITLMCRMC-AVRDEDQJSA-N 415.490 0.807 30 20 HCED Cc1nccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)n1 1835099920 WPIKTNCWPRFHPI-HSZRJFAPSA-N 420.469 0.907 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835120890 HSXCYKZFDQJWIG-HNNXBMFYSA-N 405.543 0.975 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)c3ccccc3)CCO2)C1 1835293573 LIJQORZAFPYBTH-UTKZUKDTSA-N 401.463 0.726 30 20 HCED COc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1C 1835342998 WHJRZPGPMPMXLB-OAQYLSRUSA-N 414.462 0.772 30 20 HCED O=C(CCN1CCOC1=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835451497 TYGSYZHDRVQROG-UHFFFAOYSA-N 416.522 0.814 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc[n+]([O-])cc3)CC2)CC1 1836050556 HWTTWBTUSNTQIY-KRWDZBQOSA-N 414.506 0.544 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3F)C2)C1 1837486512 GYMDJGACJWTLJB-LLGFUMIMSA-N 408.470 0.499 30 20 HCED Cc1cnoc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564314 HFKSGYCPWXEKLH-KQBANSRISA-N 416.434 0.765 30 20 HCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1)C(=O)O 1837790993 WPUCPEKAPGYKGF-INIZCTEOSA-N 406.483 0.351 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838738018 LKSIWWAJUZCKLZ-FQEVSTJZSA-N 413.434 0.821 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C1CCCCC1)CCO2 1839184287 FTMGCLMTFZVBIZ-IRUYWQDXSA-N 404.463 0.667 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1839227675 IYXNHAQRMXBICG-BEFAXECRSA-N 407.471 0.210 30 20 HCED CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)COC1 1839419001 GZCSEAJXTLJDHF-NRFANRHFSA-N 417.437 0.804 30 20 HCED CCCc1onc(C)c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042684 IIOVNKBXIVIZLR-HXUWFJFHSA-N 419.434 0.094 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840167155 ZYUDXRXNUAJKGE-OAQYLSRUSA-N 414.462 0.054 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1840168235 DPCZQDAZDTVNNU-UWJYYQICSA-N 415.494 0.537 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1840168741 OQQMWLZUGXYJTN-CTNGQTDRSA-N 408.495 0.834 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1840292972 YFDGSGMDTJEXFN-NRFANRHFSA-N 402.495 0.842 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842807587 SQWRKBBNKGEHEN-GJZGRUSLSA-N 418.494 0.864 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C2=NNC(=O)C2)C3)c(C(F)(F)F)n1 1843169367 JQKUPBNIQDUYER-UHFFFAOYSA-N 420.351 0.665 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)c(Cl)c1 1844297577 UVOGVJBDQLGHPG-GOSISDBHSA-N 418.881 0.679 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 1845108904 WUHZTDFJMNAGNW-BFHYXJOUSA-N 413.540 0.736 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3ccc(CC#N)cc3)C2)CC1 1845411973 IFQMWHOASRWJIZ-UHFFFAOYSA-N 423.517 0.734 30 20 HCED Cc1nn(C)c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545897 LDYRABJJCGIJQH-UHFFFAOYSA-N 416.507 0.854 30 20 HCED C[C@@H](C#N)CN(C)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc12 54778803 LHCAGFCQEWKPDM-ZDUSSCGKSA-N 418.475 0.781 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc(C#N)c2)cc1 56088778 LDHHSGVFMHIJPR-UHFFFAOYSA-N 409.489 0.961 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 105225822 UDCVAUYDPJYKEF-UHFFFAOYSA-N 408.484 0.254 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)Sc1nc(=O)c2c(C(=O)OC)cc(C)nc2[nH]1 140305460 VIBPBBJQSBNIAP-VIFPVBQESA-N 405.436 0.906 30 20 HCED COc1cc(C(=O)N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)ccc1C 409560754 CSJDHBZVWPSOPO-MRXNPFEDSA-N 408.480 0.231 30 20 HCED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410114382 AGVUUHSJYGTTAD-ZFWWWQNUSA-N 423.413 0.846 30 20 HCED N#CCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 427651688 RFYATZSLNYDZQR-GFCCVEGCSA-N 406.386 0.648 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 427685096 KNXNQADLQAZURH-HNNXBMFYSA-N 423.477 0.789 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCc3nnn(C)n3)c2)c1 427930418 JFVKEWLJLDMJFW-UHFFFAOYSA-N 418.413 0.651 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)C#N)cc1S(=O)(=O)N[C@H]1CCOC1 434994299 IHBTWAUMEHTOCV-JSGCOSHPSA-N 424.479 0.319 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C#N)o2)c1=O 440381597 MJICYZHWZGXTIL-UHFFFAOYSA-N 423.498 0.228 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCOC1 441923610 OOKRZTBRETVDJQ-ZIAGYGMSSA-N 400.504 0.798 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)cc1 442484336 NZDUULHKGHTMEC-UHFFFAOYSA-N 412.406 0.003 30 20 HCED CC(=O)N1CCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443524746 XOFHQZOMUHFDJQ-UHFFFAOYSA-N 415.313 0.763 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)n1 444508377 SMGSRJPIKKUYSZ-UHFFFAOYSA-N 412.425 1.249 30 20 HCED N#CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 465139463 JUUCIMHYXSPOCU-INIZCTEOSA-N 407.452 0.416 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 465187728 VDTXBFKYBDXVJD-UKRRQHHQSA-N 409.454 0.107 30 20 HCED Cc1ccccc1C[C@H](CO)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 467133227 GKDRWAUIMDJLNU-GOSISDBHSA-N 418.457 1.414 30 20 HCED Cc1ccccc1C[C@H](CO)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 467149181 JDGMZVALPBNCHU-LJQANCHMSA-N 418.457 1.165 30 20 HCED CCC[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 467417478 GBJBOFAXUKWEEK-RRFJBIMHSA-N 424.469 0.275 30 20 HCED CCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1c1ncc[nH]1 471073138 UASREOLZLMRECI-QGZVFWFLSA-N 412.498 0.605 30 20 HCED N#C[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 471228447 XCAXZBAVXCERAP-GOSISDBHSA-N 418.519 0.233 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)[C@H]3CCCO3)CC2)c1C#N 472247854 IKNRMDCBKIGFBL-ZWKOTPCHSA-N 414.510 0.809 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 476280446 CQFQGCIKBJAXJD-RTBURBONSA-N 400.479 0.201 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 476410799 NVFMJRWXHXPQHX-UHFFFAOYSA-N 421.928 0.884 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2sccc2OC)c1=O 480940792 VTOGPIPEDOBISV-UHFFFAOYSA-N 405.501 0.362 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 480997116 HQFTZBZFAOSYNU-ZDUSSCGKSA-N 414.509 0.872 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)CCS(C)(=O)=O 482411715 IOXFEVZUYSSGFT-LBPRGKRZSA-N 401.510 0.555 30 20 HCED CC1(C#N)CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 482589689 UKHIRPFRTYEORR-UHFFFAOYSA-N 404.492 0.672 30 20 HCED N#Cc1ccc(N2CCC[C@H](N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2=O)cc1 489982856 YXVQHUMPVIWDCI-OTWHNJEPSA-N 418.519 0.141 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCO1 498662702 YXAKWHOXIYLFLY-CYBMUJFWSA-N 409.240 0.623 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)C1=O 502026858 NHNZXLAZMQOGTQ-MRXNPFEDSA-N 408.414 0.683 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 508121839 SBVDQHXGMRJIBW-JERHATOGSA-N 409.446 0.938 30 20 HCED CN(C)CCOc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1Cl 508341006 LZWVBJQDQXHWNY-UHFFFAOYSA-N 405.846 0.498 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 508807943 FNGDSQYISYSNBZ-AWEZNQCLSA-N 402.480 0.748 30 20 HCED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508883452 ACUZNSPEFVCMES-HNNXBMFYSA-N 403.446 0.826 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@H](C(C)(C)C)C3)CC2)c1C#N 514411339 YOQFFJNYDSWYNV-NVXWUHKLSA-N 416.526 0.959 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCO[C@H](CNC(C)=O)C1 522784043 OGFBZFGKXJFDOO-QGZVFWFLSA-N 405.499 0.789 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1C[C@@H](C)O 525714851 HDFWLZWCSGBPRI-NVXWUHKLSA-N 408.524 0.482 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)s1 527030392 AEQNEQOWOHAECL-GFCCVEGCSA-N 417.512 0.264 30 20 HCED CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)CCC#N 535360907 QWAKKMDIEVCBHG-INIZCTEOSA-N 412.512 0.255 30 20 HCED N#CC1(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCOCC1 537492652 JQVMWUQRGZMYGX-UHFFFAOYSA-N 407.448 0.267 30 20 HCED Cn1cnn(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c1=O 538838622 BAXROCCKVSSVMS-HNNXBMFYSA-N 419.283 0.753 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)NCC)c3ccccc3n2)C1=O 539816744 RUWGWQJBGFFRFQ-UHFFFAOYSA-N 409.402 0.900 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCN2C(=O)CCC2=O)n1 541146435 VABYPNDBZNYGPH-UHFFFAOYSA-N 414.809 0.601 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 544439918 FEXGFJFHHFXBSH-CJNGLKHVSA-N 407.902 0.884 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CC 546782795 OWPVQPRCCCMHSI-UHFFFAOYSA-N 413.455 0.472 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)O)CC2=O)C1 548245558 VENCDBTYIALHKC-QWRGUYRKSA-N 408.392 0.163 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CN1C1CC1 554695092 UFNZYAZDALQAIV-BJZITVGISA-N 409.490 0.517 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 554716358 NFVQRDJUGACCQB-UHFFFAOYSA-N 419.507 0.109 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n(C)c1 557474394 LARUQWLCJUSAOT-AWEZNQCLSA-N 403.464 0.836 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)CC1 557732575 XQBBFZRZAJUQOC-GOSISDBHSA-N 414.554 0.475 30 20 HCED CC(C)C[C@H](CCO)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 565621454 RCKXMWUFCDXKRS-RBUKOAKNSA-N 414.506 0.936 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3sccc3C#N)CC2)no1 577234591 PCGPOPREKUHVOI-UHFFFAOYSA-N 402.436 0.638 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)n1 579392767 RNXGTIVOWLAMJN-UHFFFAOYSA-N 419.416 1.468 30 20 HCED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 582174823 HEYHFBLWURUSJT-ZDUSSCGKSA-N 421.397 0.729 30 20 HCED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588869194 JAXJQLJHUPPGSP-ZIAGYGMSSA-N 412.368 0.157 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(CCN(C)C)c3)CC2)c1C#N 589438705 MWQWEJKQSBJTLV-UHFFFAOYSA-N 416.511 0.369 30 20 HCED CCC[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(N)(=O)=O 590419093 BUAIKWIYDXITLV-CQSZACIVSA-N 407.452 0.912 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 603847165 SJEJINCYMZOAME-UHFFFAOYSA-N 422.536 0.760 30 20 HCED Cn1nnnc1SCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 604043487 RWWMCRGYOXAKQV-UHFFFAOYSA-N 421.508 0.097 30 20 HCED C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 609009456 YYQBMCWBUJTJTN-HRAATJIYSA-N 408.414 0.864 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 609595089 XTMXGBGMBVPAPZ-HNNXBMFYSA-N 414.509 0.032 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 615256342 MHXUOIGSQSDHDL-UHFFFAOYSA-N 402.451 0.415 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)C1=O 726041143 YXFFCXLKOAYUFG-NSHDSACASA-N 404.375 0.795 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCC)sc(=Cc3ccnn3C)c2=O)c1 726580923 HSYHWEHEZAYHSB-UHFFFAOYSA-N 417.494 0.643 30 20 HCED C#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 727104681 YEHGOQQSRNICFD-UHFFFAOYSA-N 420.535 0.859 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 728573367 OWHLOVJCLSWMKX-UHFFFAOYSA-N 406.508 0.457 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3CC)C2)CC1 729281595 JEFHWFHBTIDNRU-IBGZPJMESA-N 410.518 0.886 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCOC2)c1 730072732 JDGGHMCSROAMSZ-VDVBZYJVSA-N 408.480 0.733 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)c1 731125948 LTGGXGBJLVVNHZ-UHFFFAOYSA-N 422.507 0.368 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 735922857 LEUBYWNPZMCIME-UHFFFAOYSA-N 414.871 0.694 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 741157438 REPIVKFFOZFQFR-UHFFFAOYSA-N 405.226 0.923 30 20 HCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744022939 BMVIOTPMYHIOSQ-LMHBHQSJSA-N 405.451 0.179 30 20 HCED CCNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745497483 UTYGVEAGTYEWES-MNOVXSKESA-N 410.452 0.281 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)ccc1F 747520688 LKEWNUIHZHHHLR-MRXNPFEDSA-N 414.455 0.676 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2C=CS(=O)(=O)C2)c1 749505557 WEFVUZZLHODMRW-KRWDZBQOSA-N 402.472 0.808 30 20 HCED CN(C)c1ccc(C(N)=NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 749788980 JFEDFOFZJFFZHG-UHFFFAOYSA-N 418.542 0.448 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCOCC2)cc1 750364271 AEMJOIVQOWEHBB-OQKWZONESA-N 422.507 0.981 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN(CC(F)(F)F)C1 750567810 CBAHKAZECFIAQG-NSHDSACASA-N 404.414 0.726 30 20 HCED COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1cccc(C#N)c1 751657011 KFFULDCEVDTFGX-MRXNPFEDSA-N 406.420 0.336 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758769046 OVPOTTZNROXDEE-GJZGRUSLSA-N 408.503 0.161 30 20 HCED CN1C(=O)NC2(CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)C1=O 758779369 UVHULBAHRNCMDF-STQMWFEESA-N 420.470 0.471 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934368 BZQLHSSGJNJABO-QWHCGFSZSA-N 424.479 0.004 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 767678211 XAJWZFJCHYBWNS-VXGBXAGGSA-N 424.479 0.781 30 20 HCED CCOCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 772350756 IJOLJYJUGJDZME-CAPFRKAQSA-N 410.496 0.933 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC1 772638465 ACMRLUYZACCFMP-UHFFFAOYSA-N 410.482 0.853 30 20 HCED COc1ccc(NCC(=O)NC2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 783960721 VDCXHOITEFDHOF-UHFFFAOYSA-N 408.480 0.690 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786999576 SSOJCMQQDLEBCM-XGHQBKJUSA-N 422.526 0.686 30 20 HCED O=C(NO)c1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 791273933 HLLBQYCYSGCJFG-UHFFFAOYSA-N 419.459 0.757 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 793232642 LKTUYSJDHQLSSN-HXUWFJFHSA-N 412.446 0.604 30 20 HCED C#CCC[C@@H](O)CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 799074479 JMETWMLBBMZKNV-OAHLLOKOSA-N 410.492 0.797 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 799286363 HKKVVTWXFDMFNZ-KRWDZBQOSA-N 403.504 0.634 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1C#N 809501385 GHWAGOFBZNOBDT-APWZRJJASA-N 413.522 0.667 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCCCC3)O2)CC1 809677468 POLKDSYZXGKURO-QGZVFWFLSA-N 422.526 0.015 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nnc(S)n1C 818193358 HOAJJPUJZGGABK-LLVKDONJSA-N 408.509 0.391 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(F)c2)c1=O 838178875 YYMMPJBKPQDUHJ-ZDUSSCGKSA-N 419.478 0.349 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C1CC1 914944650 MGRFROZCOAPVED-LJQANCHMSA-N 420.491 0.834 30 20 HCED O=S1(=O)CCC(=NNC(=S)NCCCN2CCOCC2)c2cc(F)ccc21 916312156 ZXVQSDGRNAFPPW-UHFFFAOYSA-N 414.528 0.894 30 20 HCED COc1ccc(NCC(=O)N[C@](C)(C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 916573256 JROZZNREEWNQFJ-LJQANCHMSA-N 422.507 0.936 30 20 HCED N#C[C@H](C(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1nc2ccccc2s1 917131170 JZTLDIAYNLQABC-CQSZACIVSA-N 411.487 0.895 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n1 921249063 FHNLDSHSVQEBHP-LBPRGKRZSA-N 406.445 0.669 30 20 HCED CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1116936607 JXBGISWNRGCHLH-HNNXBMFYSA-N 401.496 0.793 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)CC2)o1 1322401365 COGRIJAGAFIUEW-CQSZACIVSA-N 409.512 0.859 30 20 HCED CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC(O)(CC#N)C1 1322434575 KISAUFBSWYLAGO-AWEZNQCLSA-N 413.883 0.360 30 20 HCED N#Cc1ncn(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1 1327013777 KXPCGAUKSDKZOO-CYBMUJFWSA-N 401.814 0.825 30 20 HCED CC1(C#N)CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1360789103 RTTOIDUIODAUAY-SFHVURJKSA-N 417.495 0.415 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2CCCO)CCO1 1555995013 MHQHMXHVQLFPLA-RTBURBONSA-N 411.510 0.839 30 20 HCED COc1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1C#N 1558115263 KTEKRMJTLOGOQJ-QGZVFWFLSA-N 412.421 0.925 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC1CC1 1692784507 KFMREBGXXUJROT-CYBMUJFWSA-N 423.543 0.545 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCS(=O)(=O)CC2)C1 1698484969 XTXGBXWOTCNJGF-INIZCTEOSA-N 408.459 0.655 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1751095335 WASFYVHJFYJYJT-ZACQAIPSSA-N 424.571 0.765 30 20 HCED CS(=O)(=O)CC1(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1770325420 LNHHOSNFCQNACL-HNNXBMFYSA-N 402.480 0.894 30 20 HCED COc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1770482053 XJWBJUWGYCSODZ-ZFWWWQNUSA-N 420.495 0.674 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC[C@@H]1OC 1771111515 NRFPGLLEOPUGOI-PMPSAXMXSA-N 406.487 0.647 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCCO3)C2)C1 1778076294 RSUJXZMXUDKFDZ-IIBYNOLFSA-N 421.494 0.476 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1778871450 PSVCHZMBUUEJHG-ORGXJRBJSA-N 419.522 0.666 30 20 HCED Cc1noc(N)c1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064720 MPBBTFOWUYKDDH-NRFANRHFSA-N 416.478 0.707 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2)C1 1779076594 PDVXISIXMTVWOV-GZRFBZBPSA-N 410.467 0.523 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106804 VCPSFICBZAJJFJ-YAUSOUDHSA-N 405.455 0.691 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccnc5c4OCO5)C3)C2)c1 1780028493 OGRRIUVQQKNCDM-HXUWFJFHSA-N 409.402 0.767 30 20 HCED COC(=O)NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780182061 DANKOCWQUIEPGV-DNVCBOLYSA-N 403.439 0.370 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CC34CCCN3CCC4)C2)C1 1781130835 FELYIDWBZJQXKC-XMSQKQJNSA-N 403.523 0.873 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(C)nn(C)c1C)CCO2 1781264336 VUXAYKWMVAMXOF-OAQYLSRUSA-N 418.494 0.990 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1781391824 XFYNQNJLSXSYLX-YLJYHZDGSA-N 410.515 0.340 30 20 HCED N#Cc1cc(C(=O)N2CC[C@@]3(CN(C(=O)CN)CCO3)C2)ccc1Br 1781902490 LTYXCIBIFPHPLD-QGZVFWFLSA-N 407.268 0.723 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccn3nccc3c1)C2 1782010123 DUNAJFMRXXYDIQ-DYESRHJHSA-N 410.430 0.550 30 20 HCED 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C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 58756056 AMVVRLSEELMDRU-UHFFFAOYSA-N 420.413 0.422 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2cccnc2)c1 65971786 NZXXZUPYBKWHPG-UHFFFAOYSA-N 402.476 0.982 30 20 HCED Cc1ccc(C(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)cc1S(=O)(=O)NCC#N 426775074 YHVNCPZCKSLFBD-NVXWUHKLSA-N 406.508 0.732 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H](OCC4CC4)C3)n2)cc1 427036348 BCOSHBNDBHPDBU-GOSISDBHSA-N 408.462 1.554 30 20 HCED COC[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCCO1 435299811 RVLYIHPNGSIWFC-ZBFHGGJFSA-N 401.398 1.132 30 20 HCED COCC(=O)N1CCc2c(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cccc21 438753837 NIQPCNWAPVNRJJ-UHFFFAOYSA-N 415.494 0.855 30 20 HCED C[C@](O)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)CN1CCOCC1 442024056 DTMUFDUKHRFSEG-IBGZPJMESA-N 406.508 0.830 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1 471619058 MKWVNJVFESBXHI-STQMWFEESA-N 410.456 0.337 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)C2)n1 471765334 CVQQWJKCPRCNDX-MRUHUIDDSA-N 410.478 0.973 30 20 HCED N#Cc1cccc(OCCCCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 476158475 RQTLWNJYJMNPSW-OALUTQOASA-N 421.519 0.409 30 20 HCED Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 479945200 XWHBBKAASOAJJS-LBPRGKRZSA-N 422.488 0.820 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)c(C#N)cn1CCOC 481381459 WYAMYDWSUBNCMD-ZDUSSCGKSA-N 421.454 0.552 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)C1=O 489959927 VDKRICBKRMDCBM-UHFFFAOYSA-N 413.434 0.648 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ncc[nH]3)CC2)cc1 499673150 BQISVLMQOAVYJK-UHFFFAOYSA-N 402.480 0.560 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)CC1 501635196 FZPXODIZXQFNFV-LJQANCHMSA-N 410.522 0.983 30 20 HCED N#Cc1ccc(C2=CCN(CC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 502554039 NWBNJRHZASSRMP-QGZVFWFLSA-N 402.476 0.660 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccc(C#N)nc3)C2)cc1 503207150 KGNIQSFNCOBMLK-UHFFFAOYSA-N 408.461 0.313 30 20 HCED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 508948228 ZMFPYYLVYMBJSR-UHFFFAOYSA-N 416.530 0.210 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)s1 509334881 ODZZRPHKNQPGDS-GHMZBOCLSA-N 418.483 0.929 30 20 HCED CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC(=O)N(C)C1=O 513944629 PNSRGJSAAQIDHR-OAHLLOKOSA-N 406.464 0.175 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 518111246 IORLGAKUOHPPHI-UHFFFAOYSA-N 405.458 0.957 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1Cc1ccon1 531684765 KSTMGNCESBGVNC-UHFFFAOYSA-N 410.455 0.512 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OC 537386308 KNFOXUVAWAKOLY-LLVKDONJSA-N 421.269 0.571 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](CN2CCOCC2)C1 543223320 YAAFWQXOKIIYRS-KRWDZBQOSA-N 416.478 0.703 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 549824959 CJCRJPISEAGNDF-QGTPRVQTSA-N 414.462 0.168 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O 551812429 DCTNQOPKHZVCER-GFCCVEGCSA-N 405.418 0.381 30 20 HCED CNc1ccc(C#N)cc1NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 552576603 GLSFPFGTZIOVOD-UHFFFAOYSA-N 401.404 0.794 30 20 HCED COC(=O)Cn1ncc2c(=O)n(CC(=O)Nc3ccc(C#N)c(Cl)c3)cnc21 553528104 IFVIOETZCGXVJV-UHFFFAOYSA-N 400.782 0.930 30 20 HCED C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553531227 JDXSCUMUEVYCFM-SNVBAGLBSA-N 402.270 0.534 30 20 HCED CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 560293386 DWUGEFGIPMLPDX-HXUWFJFHSA-N 420.517 0.891 30 20 HCED C=CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)CC=C)cc1 569616510 XWBIMGFTGVLILH-OKILXGFUSA-N 404.510 0.117 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1 578611293 ZXPCXEFWFCKZGT-UHFFFAOYSA-N 400.527 0.216 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)CC1 588126208 DFGRXPSIKDRWJA-UHFFFAOYSA-N 415.469 0.604 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 603581366 RHPFBVFMJUBOQG-IAGOWNOFSA-N 408.524 0.909 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC(=O)N2CCCC2)CC1 603585361 QBUAIBDDMMKIKR-UHFFFAOYSA-N 405.480 0.197 30 20 HCED N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611653516 BWYHDIALHHAQRM-JLNYLFASSA-N 408.436 0.527 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1Cc1ccon1 618461945 HHVHLKISFAONOO-UHFFFAOYSA-N 410.455 0.512 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCc3ccccc3C2)c1 726559504 IUMCELDUAOFKRY-UHFFFAOYSA-N 411.483 0.913 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1 731479415 SLQRNAHEAHZZMK-UHFFFAOYSA-N 420.535 0.271 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc2c1=O 731651407 JIYVCMYBSULQPA-UHFFFAOYSA-N 410.521 0.929 30 20 HCED CC(=O)Nc1cccc(OCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732467799 YDAMOYSLGOFYAK-ISLYRVAYSA-N 401.423 0.849 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cnn(-c2ccccc2F)c1 742294987 NRVQDZZLVZOPJR-WUKNDPDISA-N 405.411 0.816 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(N)(=O)=O 744535539 WWJDTQCPYHHKCN-CYBMUJFWSA-N 417.509 0.506 30 20 HCED Cc1c(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 748435088 ORPXHXNQAMQGJT-UHFFFAOYSA-N 421.413 0.286 30 20 HCED COC(=O)COc1c(C)cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1C 752182895 WNLYQOXBPKXXAD-OAHLLOKOSA-N 422.459 0.435 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2OC(F)F)c(=O)n1CCOC 777942619 ZLTVGPHYPRGVRL-UHFFFAOYSA-N 423.441 0.715 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 783349761 BLWWUVBWNYQBMW-OAHLLOKOSA-N 409.464 0.460 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 784866368 XDELIOPZNSZIFR-UHFFFAOYSA-N 406.442 0.534 30 20 HCED Cc1nc(CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)cs1 787774043 DMPRGJSOMVLOJT-UHFFFAOYSA-N 413.507 0.591 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 788115099 SXGUYHSSWNCCKB-INIZCTEOSA-N 418.498 0.885 30 20 HCED CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 789369095 VSFVUMAYDAYSQM-CHWSQXEVSA-N 411.480 0.209 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCc2c(C)nn(C)c2C)n1 789881862 URMKSXRKJSCSIM-UHFFFAOYSA-N 400.483 0.201 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C2CCN(C(=O)OCC)CC2)C1=O 807829425 WXZUEOHQWIHPSX-ZBFHGGJFSA-N 408.499 0.605 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2F)CC1 810358634 GDIKYIPQNKQAAC-UHFFFAOYSA-N 407.373 0.678 30 20 HCED N#Cc1cc(O)cc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 811186896 CMLRURKYCHVWFT-NVXWUHKLSA-N 422.459 0.615 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812431654 OIMNTARITTVYEO-HZPDHXFCSA-N 423.539 0.612 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 849365899 DLRVPHNCWKSOAJ-SFHVURJKSA-N 412.471 0.931 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)CCNS(=O)(=O)c3cccnc3)C2=O)cc1 914907182 UZDILIJONGSYHT-KRWDZBQOSA-N 414.443 0.970 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 917036046 XKBUEBHZBQVSKC-JGKKSEDXSA-N 421.453 0.870 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920414969 FGYRHHUHQAIRCJ-KBPBESRZSA-N 423.447 0.677 30 20 HCED CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1296122095 SQEOBLDLXQRIIA-UZLBHIALSA-N 420.537 0.884 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1305793244 XOVHTLYYDIZGRN-RDJZCZTQSA-N 419.530 0.646 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C1 1320723258 QZFYUMYFURLJAM-INIZCTEOSA-N 407.478 0.811 30 20 HCED C[C@@H](NC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nncn1C 1337026949 YRZQCFRHOOALNY-GDBMZVCRSA-N 421.465 0.717 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cncn2)CC1 1360790977 MGGPFEIYCBCORI-AWEZNQCLSA-N 404.500 0.602 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@](O)(CC#N)C1 1460297401 LYZQJYOKOHVNDL-HNAYVOBHSA-N 422.507 0.385 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)C(=O)OCc2ccccc2)cc1 1471506614 SZSFYENYIXQLLI-SFHVURJKSA-N 416.455 0.694 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1521056613 OMPSRNRZBRAHOH-DYVFJYSZSA-N 410.475 0.391 30 20 HCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1555799484 UIIOWRMKQUNZMO-VQIMIIECSA-N 417.491 0.591 30 20 HCED CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)Cn1cc(C#N)c(O)nc1=O 1558169178 TXBKNCHNDOQKLE-UHFFFAOYSA-N 419.360 0.736 30 20 HCED N#Cc1nc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)sc1Cl 1559125702 MJUFUUUJUPEYRS-SECBINFHSA-N 410.930 0.307 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1616261676 IKGIICNCJVPDAI-YVEFUNNKSA-N 414.413 0.040 30 20 HCED N#CC[C@]1(O)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1630967103 ZWFXTFJTVCBESX-QRTARXTBSA-N 413.883 0.341 30 20 HCED Cn1cnnc1CC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1646001343 QTNSXDXESZJMHB-UHFFFAOYSA-N 416.507 0.725 30 20 HCED 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HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)NC(=O)CS3)C1 1845668770 BDSFKSZMMMZPBU-CYBMUJFWSA-N 414.487 0.981 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c1 1846827342 YXCSBLFETIKRQG-CZUORRHYSA-N 409.446 0.729 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCNC(C)=O)C2 1847071409 SBFUXGHMAQLUTP-MRXNPFEDSA-N 420.510 0.633 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2nc(O)nc(O)c2C1 1847809223 BXGWUVYGKKBVRP-PYTWLRIVSA-N 416.478 0.786 30 20 HCED CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCCC#N 10847797 OUUHODNORUSCBK-CQSZACIVSA-N 406.464 0.713 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 410126913 GELVNKTVGDOLRZ-HIFRSBDPSA-N 410.496 0.627 30 20 HCED CC(C)CN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 428148853 ZRQCMPUXKLHOGS-CABCVRRESA-N 406.508 0.940 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)[C@H](C)C(=O)NC[C@H]1CCCO1 429898719 PDUKYSULIUEHBT-CHWSQXEVSA-N 406.468 0.379 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(=O)Nc2cccc3cccnc23)n1 439185509 CNJMCIZVLCKZLH-UHFFFAOYSA-N 405.418 1.577 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 444554162 QKDXQHXNNPIVQY-CABCVRRESA-N 408.524 0.529 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3ncn(C)n3)nnc12 446508637 YOWKIZYGJNCKDL-UHFFFAOYSA-N 424.490 0.810 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 446532049 ONTRKACDMFUMHV-UHFFFAOYSA-N 413.478 0.592 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCc1ccc(S(N)(=O)=O)s1 462093613 RMUOKHTXNWAFIW-UHFFFAOYSA-N 417.476 1.478 30 20 HCED N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463789468 JJUNYIHCPWWSAB-UHFFFAOYSA-N 420.473 0.894 30 20 HCED CC1CCC(NS(=O)(=O)CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 465124479 XRHQJLAKKKJDID-HWOWSKLDSA-N 420.539 0.883 30 20 HCED CC1(C)CN(CC(=O)N[C@@](C)(C#N)C2CC2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 471271099 AHEWNYZXMXXDCT-VXKWHMMOSA-N 414.554 1.000 30 20 HCED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 478846270 RATQCJLKLYZJNU-HNNXBMFYSA-N 422.466 0.840 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCO[C@H](C(=O)NC)C2)c(C#N)cn1CCOC 481446425 JVPLICPESGLUDW-ZDUSSCGKSA-N 407.427 0.162 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481506066 HKAJILYYIJNCOE-OAHLLOKOSA-N 406.508 0.942 30 20 HCED C[C@]1(C(N)=O)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 483263257 NCKSBKZRQPJLQE-FQEVSTJZSA-N 412.450 0.652 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cscn2)c1=O 497573519 VWOMUTOFWQEBDW-CYBMUJFWSA-N 402.501 0.351 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)Cc3ccccc3)C2)CC1 505684018 UFWIOPIIRPTONT-LJQANCHMSA-N 413.522 0.459 30 20 HCED Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508185104 LFYKWADCGXHLJW-UHFFFAOYSA-N 409.450 0.193 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(NC(=O)CCN2CCCCC2)c1 509005031 RCRPWFUKFGOFCS-UHFFFAOYSA-N 414.466 0.196 30 20 HCED C[C@H]1CN(C)[C@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509481396 SWDMWXZOTKOPJL-SJORKVTESA-N 419.551 0.416 30 20 HCED C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccc(C#N)cn2)CC1 511663504 DFBILOKALFLRFE-CQSZACIVSA-N 414.491 0.750 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 515752341 KGGVEBGUNTYROJ-UHFFFAOYSA-N 412.471 0.750 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1C#N 516151161 MLHDOSKIRYFVSP-BUXKBTBVSA-N 401.471 0.873 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccccc3OCC)CC2)C1=O 520504390 UZCNJIPAOWFIBM-UHFFFAOYSA-N 400.435 0.711 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 522390282 BRPMHEVGHQJBHB-UHFFFAOYSA-N 419.510 0.970 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCOCC 523089519 JQSXVOWZPPLPET-UHFFFAOYSA-N 401.463 0.891 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn4c(O)nnc34)CC2)cc1 536092967 DANWLVMIEGWURB-UHFFFAOYSA-N 412.431 0.453 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 539271063 RPVTUDSJRQYLJI-CYBMUJFWSA-N 413.496 0.575 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)ccn2)CC1 539486683 NLQUFECTGIFGQC-UHFFFAOYSA-N 406.446 0.596 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)s1 543752994 GXBHODNOZNPCPR-UHFFFAOYSA-N 411.513 0.607 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 554364375 AWTADQSRIUGFIO-SJORKVTESA-N 412.494 0.365 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc1 555847666 YNAUALWGKSLMMP-UHFFFAOYSA-N 423.458 0.306 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 563392015 LVBAKNAABIPGGN-HKUYNNGSSA-N 410.540 0.972 30 20 HCED CC(C)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 564380884 PLVQFDKOGBLBHM-SFHVURJKSA-N 407.540 0.225 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 565755100 AOXZBXHFWRRZRG-UHFFFAOYSA-N 410.908 0.138 30 20 HCED N#CCCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 570348300 OJJSJPWCCYYEBX-UHFFFAOYSA-N 408.480 0.134 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1O 572329846 ZSFCKTXKEGIWIZ-UHFFFAOYSA-N 424.460 0.089 30 20 HCED COC1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 588646998 ODJKJKACRMBFFZ-QGZVFWFLSA-N 414.462 0.087 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)n1 588765430 MVDHPJWZQFQVID-QGZVFWFLSA-N 405.462 0.392 30 20 HCED CCNC(=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC1 589190387 IKPJESDYDFVDLC-SFHVURJKSA-N 411.506 0.646 30 20 HCED C[C@H]1C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C(=O)N1c1cnn(C)c1 589892149 DSBOXYMFMYUWFO-WMLDXEAASA-N 408.466 0.712 30 20 HCED N#C[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 609268176 MRWYPSFUNZCXFW-HIFRSBDPSA-N 408.436 0.746 30 20 HCED Cc1ccc(C(=O)NCCCN2CCCN(C)CC2)cc1S(=O)(=O)NCC#N 609623871 DZOAFLVQZIEPLT-UHFFFAOYSA-N 407.540 0.554 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 609828534 LWEDWORPMUPYHM-UHFFFAOYSA-N 421.523 0.741 30 20 HCED COc1cc2ncn(CC(=O)NCc3ccc(C(=O)NO)cc3)c(=O)c2cc1OC 671998755 WCYXMULFXDBIMN-UHFFFAOYSA-N 412.402 0.849 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)CC1 728590206 WTCQWJXKGZOESK-ZDUSSCGKSA-N 412.537 0.001 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccc(F)cc2)n[nH]1 729847076 GWWMIBFATPFTIZ-UHFFFAOYSA-N 414.422 0.966 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1 731126892 VFGDZGHFAFSKHZ-UHFFFAOYSA-N 422.507 0.368 30 20 HCED C=CCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 731214686 WBSQPPLRIOEFTD-TXKKKEFDSA-N 412.512 0.193 30 20 HCED N#Cc1cnn(CCOC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1N 731773139 INBHNQPBJYENTG-UHFFFAOYSA-N 411.465 0.276 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)Cn2cc(S(N)(=O)=O)cn2)ccc1OC 733366671 CZARQDKAYIBADV-CYBMUJFWSA-N 407.452 0.536 30 20 HCED CCOC(=O)C(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 735815898 SKAQVCACEHNDES-UHFFFAOYSA-N 414.462 0.947 30 20 HCED C#CCCN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 744364618 SYPURRZIFDTQHL-NHHWLVAYSA-N 408.502 0.957 30 20 HCED N#CCCN(C(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccccc1 745478612 LPMHSJCRAKATNB-OHDICMOHSA-N 411.414 0.639 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 746121988 KYSIBJDFGYMNKC-ISLYRVAYSA-N 400.395 0.555 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)n2)cc1 749651797 ZELSDAPDYXBJKY-DLBZAZTESA-N 409.450 0.116 30 20 HCED COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(OC)n1 755535590 HCZFVOBGSLAIIV-YPMHNXCESA-N 419.438 0.913 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755622704 ZZXHJLFUQOHOGN-UHFFFAOYSA-N 413.547 0.983 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 756750706 UHUFXTOVYXMXRX-BLLLJJGKSA-N 417.447 0.307 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 761669562 ZNSIZDQKUNIDKQ-UHFFFAOYSA-N 405.430 0.736 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(=O)N(C)C 761841725 YNSOSUYHWZUNID-AWEZNQCLSA-N 412.515 0.820 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)c3nccs3)CC2)c1=O 767483075 OXIMRTMNGZMEAW-HNNXBMFYSA-N 418.523 0.337 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)OC3CCN(CC#N)CC3)CC2)cn1C 770784690 UYKRAQNAWXWERB-UHFFFAOYSA-N 409.512 0.660 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNC[C@@H](C#N)CCC#N)cc1)S(C)(=O)=O 773204648 HRCRNTWNNRWACH-CQSZACIVSA-N 414.509 0.824 30 20 HCED C=CCS(=O)(=O)CCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 783535300 CGFAXFNIHBZGEJ-ZDUSSCGKSA-N 424.566 0.664 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 798037059 VJAXGBSRIWKDPG-GXTWGEPZSA-N 420.543 0.994 30 20 HCED Cc1cccnc1[C@H]1CCCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 799112476 VPAJBJOKDDRQNT-ZDUSSCGKSA-N 405.480 0.780 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)cc1 808077952 OZFCGWSBRADELX-INIZCTEOSA-N 416.503 0.383 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)[C@H]1CCCO1 808245540 OAPHBQRZGTWUKL-FFZOFVMBSA-N 415.490 0.691 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2cccc(C#N)n2)c(O)nc1=O 811252235 MVUYPWYQBSRHTQ-UHFFFAOYSA-N 414.422 0.808 30 20 HCED C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812128572 AHOBTWYEHZNEPT-OAHLLOKOSA-N 411.528 0.470 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](O)C2(C)C)c1 813026057 JLSNPPQOPQMGRH-UFPHYQGISA-N 422.507 0.810 30 20 HCED CS(=O)(=O)CC[C@@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)c1ccccc1 813984388 UBDKQRSEZRTVFV-MRXNPFEDSA-N 407.473 0.977 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 825132018 VWOVXTGQSWGBTO-OAHLLOKOSA-N 408.476 0.321 30 20 HCED N#CCc1ccccc1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 829352799 DBPLKIJSRCLZIC-INIZCTEOSA-N 405.476 0.241 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1C(=O)CCC1=O 913248349 MKBZVUZTWLYRAN-CQSZACIVSA-N 421.475 0.976 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CCOC 916198654 RMTMCPOVSDIOQT-UHFFFAOYSA-N 415.515 0.520 30 20 HCED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918242385 ANKRRFDTUMCEED-DRYIHEDISA-N 423.495 0.079 30 20 HCED CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc([N+](=O)[O-])c1 920324722 OVEASRDBSXPNIS-UHFFFAOYSA-N 409.401 0.989 30 20 HCED CCO[C@@H](CC)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 920671736 AKZWDMLQUJTCIX-INIZCTEOSA-N 423.491 0.749 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 965432081 QSTSEYVHBLIOJF-IZGRHMBUSA-N 402.491 0.831 30 20 HCED N#Cc1cn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccc(Br)cc2c1=O 1251614601 HBWWTZRLAIDOPH-GFCCVEGCSA-N 424.276 0.939 30 20 HCED CNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1254784607 IXZNMNBWJMEJPZ-AWEZNQCLSA-N 414.491 0.536 30 20 HCED CCOC(=O)c1c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c(C#N)cn1CC 1276336454 PAABLISNOLKPSQ-UHFFFAOYSA-N 417.447 0.992 30 20 HCED CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)N1CCOCC1 1293127924 RBXUWKWFOYHDFQ-UHFFFAOYSA-N 423.521 0.893 30 20 HCED C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1301211479 KWPFBKIFYPGVMC-LLVKDONJSA-N 419.438 0.836 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCc3ccc(C#N)cn3)CC2)cn1 1323648270 MAXUERQEBJYTSH-UHFFFAOYSA-N 403.468 0.339 30 20 HCED Cc1nn(CCO)c(C)c1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 1328474795 QBCUGHFZNYUDTH-UHFFFAOYSA-N 421.527 0.269 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3ccc(Br)c(C#N)n3)cnc2n(C)c1=O 1526375286 TYYFNWVMCDHUDT-UHFFFAOYSA-N 415.207 0.914 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)N2CC(=O)Nc3ccccc32)c1=O 1643944335 LCXXFRZGWIYAMK-UHFFFAOYSA-N 407.430 0.537 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)cn1 1685531300 MNGDHGFJMYHHKU-UHFFFAOYSA-N 418.523 0.741 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CCO1 1711364522 YLADMCFODXAQJZ-HNNXBMFYSA-N 424.490 0.976 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747603040 DOAJQYTUJXFBOK-OAHLLOKOSA-N 418.527 0.341 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCO1 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0.899 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1830056185 QFIFMUHKODJPIJ-FQEVSTJZSA-N 412.450 0.578 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)(C)C#N)CCO2)C1 1830063319 ODWVHUYYNLCASO-HXUWFJFHSA-N 409.483 0.582 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1830526013 QDYWXZHKMBJKAA-RXVVDRJESA-N 417.462 0.408 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1cccc1C=O 1831213686 ZFWQSWINLGUFLV-VGSWGCGISA-N 413.474 0.731 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1831427555 SHCCYSVDQFMZDT-KSSFIOAISA-N 410.496 0.508 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831736375 CYUIXMLOGPDAKM-KRWDZBQOSA-N 412.393 0.464 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)CCn3ccnn3)CC2)CC1 1833469438 WWBQTYMJLQRSBU-KRWDZBQOSA-N 416.526 0.278 30 20 HCED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835227482 HFGCWHWIOURTME-JOCHJYFZSA-N 415.490 0.984 30 20 HCED CCOc1ncccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339437 MTNLIOHCDOXCSK-OAQYLSRUSA-N 414.462 0.854 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1835351390 UYCOJZORVFJLKD-HXUWFJFHSA-N 416.434 0.897 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)Cn2cccn2)CCO3)cc1 1836162420 XLZQAYXBBLJWSG-QFIPXVFZSA-N 423.473 0.454 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1836850869 GDXMNDQZFOWSCP-UGSOOPFHSA-N 405.480 0.118 30 20 HCED Cc1cnc2c(C(=O)N3CCO[C@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cnn2c1 1836945050 YSIUMBCJYGQKTC-QFIPXVFZSA-N 423.473 0.521 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1837395379 YNZMEKWOGSSKPH-YWZLYKJASA-N 404.467 0.120 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccn(C(F)F)n4)CCO3)C2)CC1 1838032728 KATSKNOCAXOKTM-SFHVURJKSA-N 409.393 0.652 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(C(F)(F)F)n1)CCO2 1838190895 ZQLSJZFMSQUGSL-OAHLLOKOSA-N 403.382 0.865 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839680192 AOXXZHSZCFSNSE-KUHUBIRLSA-N 411.455 0.554 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1839808845 FHYBHDWUFKAVOE-FQEVSTJZSA-N 415.402 0.233 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1)C(F)(F)F 1839894718 MZGLCPXFCUXXKA-CZUORRHYSA-N 417.388 0.414 30 20 HCED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840025779 PIZYVEVDDKSRMG-DJJJIMSYSA-N 407.854 0.662 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CSC3CCCC3)C2)C1 1840040270 SVOWRUQJOYZGLY-IBGZPJMESA-N 410.492 0.207 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840292668 DOXBSEJWWSTALU-NRFANRHFSA-N 416.478 0.749 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc[n+]([O-])c4)C3)C2)CCC1 1840813427 ZEKQFBJJOPGILO-FQEVSTJZSA-N 400.435 0.084 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](S)C(C)C)C1 1841625664 UJXSVKNOJNSDFV-GJZGRUSLSA-N 400.497 0.639 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1844238220 PRLCUPXOYPEGLM-QGZVFWFLSA-N 404.555 0.543 30 20 HCED O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302743 LGRCWIYLCPUFGJ-BMZJSHLCSA-N 420.388 0.397 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C1 1845436303 AFIPYDASURZPCX-CHWSQXEVSA-N 401.529 0.987 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1847812222 KSQFFFLCULPINN-VGWMRTNUSA-N 411.499 0.665 30 20 HCED Cc1cccc(C)c1N1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)CC1=O 1848091781 GPLVBOJIFNLKIS-SQNIBIBYSA-N 423.469 0.946 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165925 VRGBJEXEEVELGF-LNBXBUPTSA-N 420.426 0.522 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 147298223 QADHJGMCMLVSEK-AWEZNQCLSA-N 401.510 0.305 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)CC1 303591902 OXRPQRXAQCODOX-MOPGFXCFSA-N 402.539 0.699 30 20 HCED C=C(C)CN/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305770556 OTGQPNDXTFKRQZ-UHFFFAOYSA-N 404.514 0.271 30 20 HCED C[C@H](C(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)n1cnc(C#N)n1 409688338 SYCMOBFPFIIDTN-CXAGYDPISA-N 410.434 0.658 30 20 HCED COCCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCOC1 427920115 DDZKYMBHNHDURO-ZDUSSCGKSA-N 401.398 1.085 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 430402028 RKQUVKZWLBCLEM-PMPSAXMXSA-N 401.529 0.404 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 437735432 KLZHGZDCUZDHMK-QRQLOZEOSA-N 420.535 0.889 30 20 HCED COCC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)C(N)=O 442255549 FODSKEWFHABLOJ-INIZCTEOSA-N 411.418 0.999 30 20 HCED CCOC1CC(O)(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 444610709 DTUNUDKSOGABIZ-LFDOHDQPSA-N 400.435 0.809 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 462102441 CDBMKKFRGDALGT-QGZVFWFLSA-N 422.493 1.218 30 20 HCED COC(=O)Cc1csc(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)n1 462316806 AUFSUPWXOTXXDZ-GFCCVEGCSA-N 415.479 0.669 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H](CO)O1 470925893 LLXCQFBOXVATKE-DGCLKSJQSA-N 403.826 0.944 30 20 HCED Cc1ccc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1S(=O)(=O)NCC#N 474910230 NTSFYCJSESLLLL-HNNXBMFYSA-N 408.480 0.197 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(F)(F)F)CC1 479890057 UHMMDKHDNUKRGY-LBPRGKRZSA-N 404.414 0.932 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 481436648 NSSPPJSVMPCVGW-DOMZBBRYSA-N 411.505 0.403 30 20 HCED C=CCOC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 481568729 FIMCHLXQWDFNOC-HOTGVXAUSA-N 402.513 0.831 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](CN2CCOCC2)C1 482379069 CACHPJLYEYZXRT-DOTOQJQBSA-N 406.508 0.406 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3oc(N(C)C)nc3c2)CC1 484199515 JBNQYMVNODWECD-UHFFFAOYSA-N 414.466 0.279 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 490042809 OXQIADILQLWNDQ-AWEZNQCLSA-N 422.488 0.703 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCSC1 491145120 KXNVYACQHOLVKP-IBGZPJMESA-N 413.507 0.690 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N=c2cc(C)o[nH]2)CC1 509011635 NIQODGSMGKNFKD-OAHLLOKOSA-N 401.471 0.447 30 20 HCED N#CC1(F)CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 510918659 FLUZWNZGYFKCHD-SFHVURJKSA-N 416.453 0.825 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 514908041 YTEKYVBDOIDWDB-INIZCTEOSA-N 414.466 0.949 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCCO1 515330994 LZGJXAHOBYSHIR-AEFFLSMTSA-N 404.442 0.656 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 519655529 DVSFFBSLKOIWLK-QGZVFWFLSA-N 406.527 0.431 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c1 519757243 NEMATRDDIQWBIE-UHFFFAOYSA-N 422.404 0.881 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)C1=O 522246441 RXEJONOWEVEZFO-AWEZNQCLSA-N 413.434 0.544 30 20 HCED NC(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 523118472 OQNFZJOMWFWVMS-FQEVSTJZSA-N 419.485 0.876 30 20 HCED CCOC(=O)CN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 530775628 LHRYKEKOMMOQQU-UHFFFAOYSA-N 422.507 0.508 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CC(N)=O)C3CCCCC3)CC2)o1 541628429 MYFNUCASNXVCDV-INIZCTEOSA-N 402.499 0.917 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 542061681 LFHLKIVATXDZTK-AWEZNQCLSA-N 416.825 0.309 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 552455692 DODLJPHKBCAWAS-HOCLYGCPSA-N 415.469 0.909 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 555255145 DGAAHEUNZFRYAU-UHFFFAOYSA-N 424.509 0.911 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)CN1CCOCC1 560884865 QIFCCEBOUAPSFR-ICSRJNTNSA-N 413.522 0.307 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)C2)c(F)c1 561782934 BZXQDZVGOHIKPD-OAHLLOKOSA-N 413.453 0.616 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)CC2)n1 565736214 FRINLXXLAUYXLI-MRXNPFEDSA-N 423.452 0.531 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)Cc1ccc(F)cc1 568315394 KHNBFTTXKZYFPB-UHFFFAOYSA-N 424.480 0.989 30 20 HCED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 571110860 SLTZLVOIZJRBRM-UHFFFAOYSA-N 423.429 0.792 30 20 HCED CN1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574311279 PQJYWQXURAKFFG-VAMGGRTRSA-N 423.517 0.718 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)n1 580200626 AWYXRJWRSVRMOS-OAHLLOKOSA-N 409.450 0.258 30 20 HCED Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585728209 FCECPYWLVABTQN-KRWDZBQOSA-N 407.478 0.966 30 20 HCED N#CC1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 590490759 PRTVLFNMPNQRGN-ZDUSSCGKSA-N 418.397 0.600 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C1CC1 590999519 FUMMCXDRTOTUMF-UHFFFAOYSA-N 417.462 0.658 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC)c2OC)c1=O 603793736 YVROGRXYIYTYEO-UHFFFAOYSA-N 411.483 0.895 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1CC(N)=O 604881834 LQRDFINDOGTACA-LBPRGKRZSA-N 401.463 0.961 30 20 HCED N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CC(N)=O 608911355 BWQCFRWIJSXLPT-UHFFFAOYSA-N 412.427 0.176 30 20 HCED COc1ccc(C(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)NCc1ccccn1 609280370 GRBZBHGEJDGTGT-INIZCTEOSA-N 416.459 0.933 30 20 HCED Cc1ncc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 609940114 OJRLYVOFVNBBKC-UHFFFAOYSA-N 414.447 0.128 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)O1 611373185 BCNQSDUKJXUDGR-SJORKVTESA-N 400.483 0.857 30 20 HCED N#Cc1ccc(OCCCN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 741792294 YTNAENZOSJPPPJ-GOSISDBHSA-N 420.535 0.248 30 20 HCED 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COc1c(F)cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1[N+](=O)[O-] 777944799 XARAJGZVIWDHHI-SQFISAMPSA-N 414.371 0.547 30 20 HCED Cc1oc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cc1S(=O)(=O)N(C)C 779313938 CPRIENWDPWUCMR-UHFFFAOYSA-N 403.482 0.982 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 780058519 FXZINGFTZHULCV-ZFWWWQNUSA-N 410.434 0.961 30 20 HCED N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)nc1 782030334 LBTPATBUIPPLGN-UHFFFAOYSA-N 402.432 0.709 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2scnc2C2CC2)c1=O 782599448 BJOKOPWUBANDLH-UHFFFAOYSA-N 416.528 0.672 30 20 HCED CN(CC1(O)CCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785325078 FVCYAANSBVLXGO-LTGZKZEYSA-N 422.507 0.811 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)[C@H](C#N)C(=O)NCc1ccc(F)c(F)c1 786567526 CMYYNTLXSJZNNN-LBPRGKRZSA-N 424.404 0.931 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 787268924 JNUKSUDXOPUTBY-BBRMVZONSA-N 414.466 0.507 30 20 HCED 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0.446 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)cc1 1521110815 RKDCFBNMWKGUPJ-YLJYHZDGSA-N 410.434 0.609 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCSC1 1541921882 YRGWZBWRYJHINH-LRDDRELGSA-N 414.557 0.496 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCCN2CCCO)cc1 1555988192 UHVFMKPJVIBFRW-OALUTQOASA-N 423.521 0.975 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCS(C)(=O)=O 1611679425 WRNPDGHYCBQNHS-LBPRGKRZSA-N 418.545 0.063 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 1638800908 UEUHSPQVJHZGSE-QGZVFWFLSA-N 416.434 0.897 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1710986532 LBGIHIMLUVLPKL-UHFFFAOYSA-N 411.466 0.200 30 20 HCED CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1744705293 KCYDSNIUZADLNP-UHFFFAOYSA-N 417.539 0.584 30 20 HCED COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1749326561 YGHDMCSRLLUGCZ-DLBZAZTESA-N 417.514 0.352 30 20 HCED 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CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1831485967 PSWFWXDGEQXBMQ-APWZRJJASA-N 410.492 0.664 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csnn1)CCO2 1831743013 BMWGVCLARLSNJG-GOSISDBHSA-N 410.496 0.591 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1832298876 UKIGACOEBLRHRC-HXUWFJFHSA-N 406.483 0.005 30 20 HCED CC(C)(C)OCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1832313496 CUPXXKDTUODENX-IQTGRTGDSA-N 421.494 0.970 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3[nH]cnc3C)CC2)CC1 1833465767 RSCRALNSZSBRPX-INIZCTEOSA-N 401.511 0.942 30 20 HCED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n1 1834408900 LCJZDJVDRRCBOF-UZLBHIALSA-N 421.498 0.774 30 20 HCED O=C(C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)c1ccco1 1835096112 QDENKWRFETXBHG-HSZRJFAPSA-N 422.437 0.970 30 20 HCED CCOCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835101413 BMIRZGPRCCKZHB-QFIPXVFZSA-N 400.475 0.921 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn4ccsc4n3)CCO2)C1 1837052454 XVFRBVXJDXFBDF-PXAZEXFGSA-N 410.521 0.784 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccccn3)C2)C1 1837441111 SCYJTTUYXRZOQR-VSIOZEBNSA-N 415.494 0.623 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1837561481 NZZVHAYJMKHTTR-HBRDKIMXSA-N 418.475 0.925 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839293905 JAUOSNJRLNAJIY-BTYIYWSLSA-N 420.437 0.640 30 20 HCED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362188 CCDCIRQOQFBMEK-NRFANRHFSA-N 401.463 0.859 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1839452607 MHCIMBKLTVRAEK-JQVVWYNYSA-N 413.474 0.708 30 20 HCED Cc1ccc(-n2ccnn2)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1 1839478191 HSEFPXREOQNBLG-NRFANRHFSA-N 424.461 0.559 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839775680 PDSMTAAIBPCTJM-OAQYLSRUSA-N 410.511 0.852 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)C2)C1 1839811566 BUBAUHXHIDUKKX-IERDGZPVSA-N 423.510 0.769 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)CC=C)CCO2 1839886434 BBENIELLHXQQDV-CRAIPNDOSA-N 400.422 0.693 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839890661 LJWGJXRQOZEOGM-SFHVURJKSA-N 402.438 0.959 30 20 HCED C[C@@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840044729 UJBXXZUZPGAPPI-JTSKRJEESA-N 414.458 0.725 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nc(C)cc3C)C2)C1 1840166819 FOQSRQHHJZMYIX-OAQYLSRUSA-N 402.495 0.760 30 20 HCED CCOC(CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)OCC 1840281080 XZWVHJPINYEPLJ-FQEVSTJZSA-N 409.483 0.536 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1840292844 OZJGUBPVMWRCJN-NRFANRHFSA-N 400.479 0.669 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Oc1cccnc1)CCO2 1840455452 PDMJMDKCSILISL-DYESRHJHSA-N 401.463 0.719 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n[nH]1 1840814694 VLYULIZXLVNNQP-HXUWFJFHSA-N 401.467 0.411 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2 1843329406 UAXBJBYGDGNVQX-KRWDZBQOSA-N 416.547 0.915 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1843338844 KKWBHYDNCJXDQP-AWEZNQCLSA-N 409.450 0.698 30 20 HCED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2 1844267013 BGXWPQMYAUEANQ-UHFFFAOYSA-N 415.519 0.868 30 20 HCED O=C(Cn1ccccc1=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299930 ALNKSVIKXKPQEE-MRUVXERFSA-N 402.451 0.581 30 20 HCED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1845759663 HEKGHDVOIIJNCZ-BTZNOAQDSA-N 411.528 0.203 30 20 HCED CCCCn1c(N)c(N(CCOC)CC(=O)NC2(C#N)CCCCC2)c(=O)[nH]c1=O 10566875 BVPQDJHTFIYPKG-UHFFFAOYSA-N 420.514 0.714 30 20 HCED CCC(O)(CC)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 60710938 HFYDXZQPLDYQKO-UHFFFAOYSA-N 410.496 0.763 30 20 HCED COc1ccc(Cl)cc1N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1 410145812 PEEQZFWPJGIQTJ-UONOGXRCSA-N 400.888 0.986 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N(CCO)Cc2cccnc2)n1 439399267 TXHZFXHMRYUXSJ-UHFFFAOYSA-N 408.393 1.238 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)n1 440958071 WHRKLMJQECTGPY-ZIAGYGMSSA-N 414.853 1.496 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1 460730569 VPWKTUZKYWLXEU-DLBZAZTESA-N 407.478 1.329 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N1CCN(c2ccccn2)CC1 464858707 QDCXXJREGBZCGJ-SFHVURJKSA-N 420.521 0.993 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 465063579 GYFVZOFQGTXNFY-WMLDXEAASA-N 418.523 0.985 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 465418924 DQPATUJZGMHJJX-ZBFHGGJFSA-N 422.507 0.375 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)C)c1 465422027 MQRRDKWPMBSGSZ-CQSZACIVSA-N 421.461 0.726 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3nc4c(s3)COCC4)CC2)c1C#N 472890792 KNIBAQFCUIRGBQ-UHFFFAOYSA-N 415.479 0.417 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2sccc2OC)c1=O 480955355 TWGTWWPSXPZZTJ-GFCCVEGCSA-N 419.528 0.798 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC[S@@]1=O 484859015 VFYSLDWYBQPBGJ-UFEGIJMPSA-N 400.464 0.504 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 490381071 UUDITJXWNZDBQO-MRXNPFEDSA-N 413.478 0.197 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OC(F)F)CC1 491083402 OYYXFZCLBUBPEX-UHFFFAOYSA-N 414.384 0.812 30 20 HCED Cc1ccc(C(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1S(=O)(=O)NCC#N 499639958 ISHGTJSECTZIPR-STQMWFEESA-N 401.510 0.691 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc3occc3c2)c1=O 505658862 GMOICIXUOHMCNW-HNNXBMFYSA-N 409.467 0.991 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 506515372 ZLRPAUBDPPNRPO-CZUORRHYSA-N 420.491 0.968 30 20 HCED COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1 506564655 RRFQGTARRNDZSQ-UHFFFAOYSA-N 412.443 0.404 30 20 HCED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 509001945 YALRIQUJSNJWDQ-UHFFFAOYSA-N 403.487 0.903 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 513630775 SKAZUZPNXKZRRL-OKILXGFUSA-N 409.512 0.493 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc1 518251210 RIBOCTVCVLCHHV-UHFFFAOYSA-N 402.436 0.852 30 20 HCED CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 522773035 KPXWSLWEBFMNDU-CYBMUJFWSA-N 400.357 0.885 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)n1 538064152 MPDSBNBFIYJAGZ-ZDUSSCGKSA-N 403.487 0.152 30 20 HCED C=CCNC(=O)CNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 538515108 HIBAZLAVLQHVRR-HNNXBMFYSA-N 410.496 0.245 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)cc1 538679604 JVMHJTQQVJMAOW-INIZCTEOSA-N 403.460 0.918 30 20 HCED C[C@H](C#N)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 541575382 VAOJGOBETQQLLG-MFKMUULPSA-N 420.413 0.894 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543961084 CXZFYGKZINIILX-HNNXBMFYSA-N 415.885 0.698 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 559309294 BKRPZMSWOVLUNE-KRWDZBQOSA-N 420.425 0.820 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c[nH]c3c(C)cccc23)CC1 567260899 QNRUJKUKTKASFF-UHFFFAOYSA-N 411.506 0.581 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 576265789 AAVBTJAVRXFEOK-DOTOQJQBSA-N 406.458 0.771 30 20 HCED C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CCN1c1nccn2cnnc12 576785366 UEJJTPGTXRCWMM-CQSZACIVSA-N 412.479 0.375 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cc(C)ccc2OC)CC1 579259992 RSDKUHISCUORPP-UHFFFAOYSA-N 402.495 0.109 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCOC4(CCOCC4)C3)CC2)nc1 587659223 JICOEMNGBPMARP-UHFFFAOYSA-N 413.478 0.446 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](c4cc[nH]n4)C3)C2=O)cc1 588868781 RWLYDHDDBGYQMH-PKOBYXMFSA-N 420.473 0.905 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1CC(N)=O 589156964 FZRCFLJGQQLVBE-LLVKDONJSA-N 401.463 0.961 30 20 HCED CN1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589390946 TWTCFSVINKRHSV-UHFFFAOYSA-N 410.482 0.220 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1CCCSC 590995136 NFXYBGAHLAYGSC-UHFFFAOYSA-N 418.500 0.820 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 604219291 ZMDDNZBVBGKGML-UHFFFAOYSA-N 408.418 0.810 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609836039 GEFPGXWODDPYSS-GOSISDBHSA-N 416.526 0.396 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)OC)c2C)CC1 610532502 RUDHIJIGQPNASA-UHFFFAOYSA-N 402.451 0.167 30 20 HCED Cn1cc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1C(=O)NCC(F)(F)F 611415495 RGRUBGBJZUNVDD-UHFFFAOYSA-N 407.418 0.583 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC2(CO)CCCCC2)CC1 611462801 ARRYAMIHMQKSSW-UHFFFAOYSA-N 420.535 0.676 30 20 HCED CCc1nn(C)c(CC)c1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 615945766 AIUVHYIOPFEPDE-UHFFFAOYSA-N 405.528 0.969 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1 616641246 MDQZMGQIFZQADI-UHFFFAOYSA-N 408.480 0.122 30 20 HCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ncccc2C#N)CC1 619107109 WTAXYXWDFXVEAH-ZDUSSCGKSA-N 418.479 0.574 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 619481792 IMJNHULEGRSRRV-INIZCTEOSA-N 408.524 0.600 30 20 HCED CN(C1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1)S(C)(=O)=O 726589435 MMLNLAIMLZPHLR-UHFFFAOYSA-N 419.507 0.636 30 20 HCED C#Cc1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc1 729012589 QQXNYAMYNBNADK-ZDUSSCGKSA-N 401.444 0.615 30 20 HCED N#Cc1ccccc1/C=C\C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 735821850 DGNRRBMOYLKAIB-OOFWQKGWSA-N 416.503 0.019 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCN(C)C1=O 737947398 DMNYINPLFYUZTH-GJZGRUSLSA-N 406.508 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PVLRTEMNGKRJPF-OQBWYENPSA-N 402.447 0.788 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1831421551 KNFHZHVBENOSIK-UZLBHIALSA-N 407.467 0.953 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1831482589 HVZKARHBFDIVGH-FUHIMQAGSA-N 413.584 0.882 30 20 HCED CN(C)C(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833146607 MXKUYPBSGRZNER-UHFFFAOYSA-N 406.531 0.379 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3)CCO2)C1 1834386206 IVLNTEFYZDYXHN-VQIMIIECSA-N 407.471 0.140 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(CC)n3)CCO2)C1 1834402465 CGTMVNCJPOJYGQ-OXQOHEQNSA-N 404.467 0.011 30 20 HCED Cc1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cs1 1835341218 STYBZBNZKYXTKA-IBGZPJMESA-N 404.492 0.754 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccccc3)C2)C1 1835354603 QHXYSKRKMQSVKV-OAQYLSRUSA-N 401.463 0.963 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835592210 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RCSILMYXUBTPDE-XGHQBKJUSA-N 417.510 0.946 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898551 FMGCDRCVILNPIB-HXUWFJFHSA-N 406.479 0.590 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1840161193 HLCKGJFNCIEQPZ-ZUOKHONESA-N 419.503 0.318 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1840168809 UBJUTYWRIAACPM-AVRDEDQJSA-N 415.490 0.669 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840293807 WKECRQWKFQUNOK-LJQANCHMSA-N 419.438 0.582 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cccc3)CCO2)C1 1840348909 RWEDENBOBKYASV-UEXGIBASSA-N 403.479 0.544 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840599674 YKFMSFBRJXCVAA-QJKNDPCFSA-N 401.463 0.955 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN(C)C)C3)C2)c1 1840713625 NBLCOMMJBMVMRP-JTSKRJEESA-N 414.506 0.945 30 20 HCED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C(C)C 1840813985 JDQFNGLOZRSJSD-DYESRHJHSA-N 421.494 0.724 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1CCC1)CCO2 1840845262 QXUUHQOEECGCKK-NGXITPROSA-N 405.495 0.491 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CN(C)C(=O)OC(C)(C)C)C2 1841053911 OXEJSTATHKYJLC-HJWRWDBZSA-N 420.510 0.915 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1841604591 MQFILPHFUBGGAU-UHFFFAOYSA-N 401.467 0.426 30 20 HCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)C(=O)N(C)C)C2)N(C(=O)OC(C)(C)C)C1 1842838008 GDOBGMHIJIWETD-HNNXBMFYSA-N 420.510 0.844 30 20 HCED O=C(c1cc(=O)nc2cccnn12)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259313 CBAFGKVHGGKCCY-YDZHTSKRSA-N 423.477 0.378 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282982 BGPTXCRKPZWQIT-QGZVFWFLSA-N 405.495 0.040 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)NC(=O)CS3)C1 1845668771 BDSFKSZMMMZPBU-ZDUSSCGKSA-N 414.487 0.981 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCNC(=O)C2CC2)CC1 32684302 KGDBJYOPXOYPQV-UHFFFAOYSA-N 404.492 0.698 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 116308871 JWNNFXSVNKACAE-OAHLLOKOSA-N 412.402 0.345 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(S(=O)(=O)C(F)F)cc2)c1=O 216871709 SDCGTXDEBGYLLO-UHFFFAOYSA-N 413.402 0.588 30 20 HCED CCO[C@H](C)c1nc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cs1 301450900 FUIKJRGKWUSVMS-CYBMUJFWSA-N 418.523 0.832 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\CCCCN3CCC(C(N)=O)CC3)NC[C@@H]2C1 304983600 AIASAMABQHOJNE-QGZVFWFLSA-N 422.574 0.844 30 20 HCED Cc1cccc(N2CCN(CCCCNS(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409576799 XQDXSBSSXKOCIN-FQEVSTJZSA-N 421.567 0.956 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)c1 409597217 VRFCWJNUBMQVII-KRWDZBQOSA-N 403.464 0.678 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)n2)c1 409708974 CUDRLCPZULOCGQ-QGZVFWFLSA-N 408.462 0.407 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(c2ncc(Br)c(OC)n2)CC1 430943881 QQKNIGPWAMTQSD-UHFFFAOYSA-N 413.276 0.382 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 437484532 OMOKDSHGRFZWFM-KSSFIOAISA-N 409.508 0.882 30 20 HCED CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@H](C)C1 441035919 WDYNUTMUSQLSPV-PBHICJAKSA-N 409.494 1.575 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCC(=O)OC(C)(C)C 441492885 QQHNYOIXVJXYPU-UHFFFAOYSA-N 412.450 1.576 30 20 HCED CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C1 441851206 SMKQFGRADQPHPA-ROUUACIJSA-N 413.478 0.542 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1 462257033 HPVIBIYIRLZZNL-UHFFFAOYSA-N 407.427 0.578 30 20 HCED C=CCN(CC(=O)Nc1nc(CC(=O)OCC)cs1)[C@@H]1CCS(=O)(=O)C1 462346845 MKZFBJLKBRMRRG-CYBMUJFWSA-N 401.510 0.862 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cn1 462675098 IKLPXMAPSLKPEP-GOSISDBHSA-N 400.460 0.702 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N=c1cc[nH]c(C(=O)N2CCN(C)CC2)c1 464417872 JCEYMJFKNWVSTK-UHFFFAOYSA-N 415.475 0.572 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 470980060 TVQPFXCKXGSOLK-QGZVFWFLSA-N 413.459 0.903 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 480985450 VAKBCWBOKWSRMG-UHFFFAOYSA-N 415.493 0.230 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 481018964 SJQICVKLPVXDOT-STQMWFEESA-N 414.509 0.775 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccc(F)cc1 481110807 IACUIRLFUFMZEP-ZDUSSCGKSA-N 418.450 0.910 30 20 HCED C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccco1 481484213 VBYAIUGLBGLEDO-CHWSQXEVSA-N 404.448 0.639 30 20 HCED CSc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1 489170371 KTJIJLLXCPNWKI-UHFFFAOYSA-N 401.513 0.531 30 20 HCED CN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 489975080 BBCHVEUYMZXEKY-IAGOWNOFSA-N 419.507 0.729 30 20 HCED C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1=O 500016867 SOXDPDZYDZFTFE-KEYYUXOJSA-N 408.524 0.618 30 20 HCED N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 504653650 SBBZOFTYUVLSFL-UHFFFAOYSA-N 402.432 0.326 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](Cn2ccnn2)C1 505713180 HONVKHNJGGWCQL-GDBMZVCRSA-N 402.480 0.755 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 507024586 RNPJHSBQLFOINU-LBPRGKRZSA-N 406.386 0.744 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 508446235 MELPCBIROAAAGM-INIZCTEOSA-N 409.494 0.723 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 509722422 RUNJWCCFMSGWLW-UHFFFAOYSA-N 401.511 0.287 30 20 HCED CC1(C)NC(=O)N(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1=O 516465021 KBYZJDFFAQCOAB-UHFFFAOYSA-N 409.450 0.705 30 20 HCED N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 520878268 SEOFLQKDDOXBIA-KRWDZBQOSA-N 413.521 0.514 30 20 HCED Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)cc1S(=O)(=O)NCC#N 521780552 ZANQALMLWDTEOB-HNNXBMFYSA-N 422.532 0.933 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3noc(C)n3)CC2)c1 524050201 ICEONUDBCAILKP-UHFFFAOYSA-N 405.480 0.800 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 533069188 PPQBSVMDTQQZGJ-GJZGRUSLSA-N 409.487 0.999 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)s1 538006333 MTPFVXBCFKVLGS-UHFFFAOYSA-N 403.511 0.636 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc(N(C)C)c3)CC2)c1C#N 550842410 MVSZBCNVUYQJGF-UHFFFAOYSA-N 409.494 0.631 30 20 HCED N#Cc1cc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(N)c1[N+](=O)[O-] 553440098 YYCTWLXYRZUFAW-UHFFFAOYSA-N 410.456 0.502 30 20 HCED COC(=O)c1cn(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)nn1 556403502 DDXUSFFMJFKYMY-UHFFFAOYSA-N 414.241 0.677 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)n1 559038094 DFSRQHZCPBJHFA-GDBMZVCRSA-N 410.409 1.091 30 20 HCED CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 559046079 UJZHJGDYKUBMJB-KRWDZBQOSA-N 423.477 0.390 30 20 HCED N#Cc1ncn(CC(=O)NCC(=O)Nc2ccc(I)cc2)n1 561319743 GVROYYDZASMCTO-UHFFFAOYSA-N 410.175 0.509 30 20 HCED Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3F)C1)C2 573634210 UBTYHRIAIDUVMT-HNNXBMFYSA-N 411.441 0.725 30 20 HCED O=C(NCC#CCO)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 582618539 BZHBOECHZLWZFF-UHFFFAOYSA-N 402.428 0.984 30 20 HCED CN1CCN(C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)c2ccccc2)CC1 585719298 NJUVPDHRPGZAOD-FQEVSTJZSA-N 412.538 0.195 30 20 HCED COC(=O)C[C@@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 589077456 QQQQSEGKDGJYSH-HZPDHXFCSA-N 414.418 0.554 30 20 HCED Cn1c(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C#N)c(=O)n(C)c1=O 589786075 HHFXLDMAJLRPIL-UHFFFAOYSA-N 423.882 0.120 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(F)c2)c1=O 590897275 ISWMAPPBLLENIH-UHFFFAOYSA-N 417.462 0.509 30 20 HCED CCCn1c(CCC(=O)N2CCO[C@@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 609269110 HBRBXLOLLVALOU-ZDUSSCGKSA-N 405.480 0.777 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 610690336 KNXBDCCVJJYNCC-JKSUJKDBSA-N 405.462 0.829 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 615256301 KZDBTUQSHAIPLQ-UHFFFAOYSA-N 408.480 0.798 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 619878785 ADOKAWDAGXCROW-WMLDXEAASA-N 401.467 0.037 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@H]2CCOc3ccccc32)C1=O 726042953 PYHXEMNZDXGCNP-ZDUSSCGKSA-N 401.375 0.146 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1 728534596 PRMYGOPPVZNONV-LJQANCHMSA-N 410.474 0.201 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)nc1 729012041 JHWJIIJTAAZPBA-OAQYLSRUSA-N 422.397 0.727 30 20 HCED C#CCN1CCC[C@@H]1COC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 729812280 QUVNAIBLIRYWNK-LLVKDONJSA-N 408.256 0.533 30 20 HCED N#C[C@@H](C(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)c1nc2ccccc2s1 730571992 ZXEDDIJZBLZYGE-STQMWFEESA-N 407.521 0.978 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nnc(S)n3C3CC3)CC2)C1=O 731633411 FIEDRHRZLIQTJC-UHFFFAOYSA-N 418.479 0.585 30 20 HCED C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 731862295 CBXPSFFCCRDSDG-NUKXVDRKSA-N 403.439 0.130 30 20 HCED C[C@@H](CC(=O)N1CCN(c2ncccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742469207 RBYSANPMBHMOQG-AWEZNQCLSA-N 414.491 0.643 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 748564817 VAWUBAUVAWFHGK-UHFFFAOYSA-N 404.398 0.255 30 20 HCED CC(C)[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 750260935 WLRHVIMNGIKSJQ-MOLDEKSUSA-N 410.496 0.571 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C)ccc2F)c1=O 758076341 GKOCWNJGAVIJKX-CQSZACIVSA-N 413.474 0.645 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCN2CCCS2(=O)=O)[C@H](C#N)C1 758431742 RFTXXCFNKZMQNM-CHWSQXEVSA-N 401.489 0.080 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 769758230 QKNMIEITOSADOE-UHFFFAOYSA-N 422.463 0.538 30 20 HCED COC(=O)CN(CC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 769956429 QLOGLHBCHXAUPV-KRWDZBQOSA-N 410.789 0.771 30 20 HCED COC(=O)CCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 775575043 GFEGREVNBSCTAC-AWEZNQCLSA-N 422.507 0.211 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H](CCSC)c1nnc2ccccn12)[C@@H]1CCCO1 785601811 NBQFKKQUYRINSO-ZNMIVQPWSA-N 401.492 0.937 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(=O)NC1(C#N)CCC1 787635941 ILACZNFGKHNRQG-LBPRGKRZSA-N 411.436 0.408 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)NC1(C#N)CCC1 787719896 BKJJAFLZXYVGCX-ZDUSSCGKSA-N 421.475 0.656 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 795716492 GDDXEZCKISKNMI-UHFFFAOYSA-N 411.443 0.843 30 20 HCED COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C#N)C1 802476244 LQYUAZNQZDIUGC-OAHLLOKOSA-N 420.495 0.571 30 20 HCED C#CCNc1nc(N[C@@H](CO)C2CCOCC2)nc(N[C@@H](CO)C2CCOCC2)n1 804682694 RDWFVBAHGZFSBG-IRXDYDNUSA-N 420.514 0.316 30 20 HCED C#CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 806911618 CWGYRHXOYNZJRY-UHFFFAOYSA-N 423.491 0.066 30 20 HCED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NN2CC(=O)NC2=O)cc1 807062256 QDOVUGIUDZFTIP-UHFFFAOYSA-N 407.386 0.853 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 807357027 JKUYAFUMVXAGNM-MTJIALIYSA-N 413.434 0.895 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1)[C@@H]1CCCO1 809307289 BUCAQGZLWKBNCN-PMPSAXMXSA-N 419.482 0.108 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1)[C@H]1CCCO1 809310360 IZZPRRMXASTFSZ-ZWKOTPCHSA-N 413.474 0.399 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1C#N 809501636 NWNMQFCAWBSQFC-GOSISDBHSA-N 411.462 0.889 30 20 HCED COc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CC2)n1 809501826 UXXKHKCKTJPPSR-UHFFFAOYSA-N 410.434 0.330 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C1=O 809797823 QFZJAPVMSIKFEX-LBPRGKRZSA-N 418.441 0.508 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 815861765 YQLLJDCSIYGHLW-UHFFFAOYSA-N 417.491 0.286 30 20 HCED Cn1cc([C@@H]2OCCC[C@H]2C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)cn1 1110679283 RDUKZXIQXBQJEZ-RXYDEIHYSA-N 400.483 0.249 30 20 HCED CN(Cc1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1)C(=O)C(F)(F)F 1290452650 NJIWKHRTVFQVEH-UHFFFAOYSA-N 409.324 0.980 30 20 HCED C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)S1(=O)=O 1324249421 FDOCILLFFSCODQ-IOASZLSFSA-N 418.475 0.797 30 20 HCED CC(=O)N[C@](C)(C(=O)NCC1CCN(CC#N)CC1)c1ccc(S(C)(=O)=O)cc1 1326931998 WYLZNXFMTJHXGG-FQEVSTJZSA-N 420.535 0.793 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1613025849 IJYGDEAMIXHYGL-IFXJQAMLSA-N 401.492 0.925 30 20 HCED COCc1nc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cs1 1619673822 KXAAQVUFSHPDMS-QWHCGFSZSA-N 403.468 0.609 30 20 HCED C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1761423173 LBGZFRDEEBYVFA-KGLIPLIRSA-N 403.512 0.948 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N(C)C(C)=O)C1 1778102228 YNQRDHYPSVXRQK-BZSOYRFXSA-N 407.511 0.405 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1778970719 DZSHTLUOCGMDED-UTKZUKDTSA-N 413.478 0.746 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779315219 CMOZJBFURDYWIZ-KNQAVFIVSA-N 413.474 0.019 30 20 HCED CCn1nc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)cc1C 1779716642 JULDHYDTBGXWIQ-OAQYLSRUSA-N 416.526 0.937 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H]2CNC(=O)C2)C3)c1 1780349756 FGPORLCJSVURMM-NJNPRVFISA-N 410.474 0.822 30 20 HCED Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1O 1780868700 LJBDTYCZEVRKFN-DYESRHJHSA-N 400.431 0.916 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C(F)(F)F)cn1)CCO2 1783562071 ARBGZODASNZBFI-MRXNPFEDSA-N 412.324 0.027 30 20 HCED Cc1cc2nc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)[nH]c2cc1C 1783565431 UCGRAEBDKMJTQZ-OAQYLSRUSA-N 410.430 0.711 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cc(O)n[nH]4)C[C@@H]32)cc1 1783603751 UBUCAOMKFXBLDZ-BQFCYCMXSA-N 409.446 0.823 30 20 HCED O=C1CC[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)CN1 1783628305 OYOCETOCYNTGKM-XGQSXTOZSA-N 416.478 0.204 30 20 HCED COC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1784253894 CLODQCSMRMSEQU-OAQYLSRUSA-N 414.462 0.677 30 20 HCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1cnnn1 1784589558 SSYZPWZMONZUOJ-MGPUTAFESA-N 409.450 0.178 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)CNC(C)=O)[C@H]2C1 1784640358 GYTVUYZHGYUMCS-UBDQQSCGSA-N 407.511 0.167 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@@H]1C=CCN1 1787400521 COYGAIKMAJXUHA-BRLCOEBDSA-N 406.483 0.023 30 20 HCED Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(C(F)F)n1 1787736183 RSHZMLOUEJFUPU-GVXVVHGQSA-N 410.377 0.039 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCN(C)CC3)[C@H]2C1 1788191224 ZSMQPOMGFCHWMA-BZSNNMDCSA-N 410.584 0.133 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4ccnn34)[C@H]2C1 1790341352 UUNLEVBJZVAKDZ-DUPRYPCISA-N 410.474 0.966 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc4ccc(F)cn34)[C@H]2C1 1790474382 GRNHANXGTOVGAI-NOLJZWGESA-N 414.393 0.155 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnn3)[C@H]2C1 1791603786 IUBMEBUUTNSJNU-QAETUUGQSA-N 418.494 0.408 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1793006824 RTFVUUQSMIAOQM-KSWRQPAISA-N 423.510 0.549 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(C)(C)C)n1)C2 1793340212 AMYHURZHZSGUJW-XLMAVXFVSA-N 402.495 0.880 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)Nc1cccnc1)C2 1793358247 ZAMPLHMQYVKSOC-MPTYRVRUSA-N 402.451 0.201 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1793386981 WYDWTXPJSJSFQA-OCVGTWLNSA-N 408.524 0.823 30 20 HCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)n(C)n1 1794746028 KDUNGELXIPWSRW-DUHNODEQSA-N 402.499 0.403 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(C)(=O)=O)cn1 1794747641 KSPDCRQBCJYVOI-JONQDZQNSA-N 419.503 0.775 30 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N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)Cn3cnnn3)[C@H]2c2cccnc2)cc1 1807614460 PWXWOLPHVGSWPF-AZUAARDMSA-N 416.445 0.960 30 20 HCED C=CCOCCCC(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807682423 WXACWCUZEFBHPR-XODKDNOYSA-N 416.522 0.793 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)[C@@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810348874 OHKDQMGULXSTGP-ZIFCJYIRSA-N 415.494 0.288 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)N2CCOCC2)[C@H]1c1cccnc1 1812588548 OMFCJKYZDUOSNX-WBKMXMRLSA-N 416.522 0.950 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817247686 NPXDHLJMGQVRSG-NWANDNLSSA-N 420.514 0.568 30 20 HCED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CC[C@H](N)C(N)=O)CC2)CCC1 1826937656 BTYRIUHSLDPJMW-IRXDYDNUSA-N 403.527 0.893 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1829773644 PGWJPSLGDLTJNZ-JZZAUFGESA-N 403.479 0.101 30 20 HCED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C#N)cc1)CCO2 1829902622 VBXOMABMSKKLJH-JOCHJYFZSA-N 414.506 0.557 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1831484856 HFZICLIHQPZMNF-IEBWSBKVSA-N 410.540 0.753 30 20 HCED COc1nccnc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831666585 QBFRDOYKJVXFSE-HNNXBMFYSA-N 400.435 0.807 30 20 HCED COc1ncccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1832999377 JYCZHPDWMHGKPW-HXUWFJFHSA-N 402.451 0.393 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(F)c1 1833635081 KTCKZABXOYWPEJ-KZULUSFZSA-N 413.471 0.618 30 20 HCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1833658384 IVRYJGPSAOLPFL-NRFANRHFSA-N 415.494 0.767 30 20 HCED O=C1CC[C@@H](C(=O)NC2CCN(C3CCN(C(=O)C#Cc4ccccc4)CC3)CC2)N1 1834524362 YLZJXJOSHWKVES-NRFANRHFSA-N 422.529 0.888 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834527068 VSMZWRDUJXSIDH-YJBOKZPZSA-N 421.542 0.638 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834589844 BCTBHFDXVCYEOP-MGPUTAFESA-N 420.466 0.658 30 20 HCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834753655 OHCXLCPKCDAAKF-QUCCMNQESA-N 403.435 0.099 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1835096353 CZXCEMYGWXZKRV-GGAORHGYSA-N 424.453 0.821 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)C1 1835668150 VFYJOLLAOJKEHF-NRFANRHFSA-N 404.511 0.691 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c1 1835672763 MXGLNLGGHPHKPU-NRFANRHFSA-N 417.510 0.377 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835835866 JWYBBLUMYBAETE-KNQAVFIVSA-N 414.506 0.731 30 20 HCED Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(C)n1 1836061063 DRDAZWLXJOTASU-UHFFFAOYSA-N 412.490 0.972 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccc4nc[nH]c34)CCO2)C1 1836457275 MEKKPYSZFKFDFJ-KZULUSFZSA-N 405.480 0.346 30 20 HCED Cc1onc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1C 1836989185 KTTNVTMQAYDWJY-UHFFFAOYSA-N 403.435 0.992 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3c(c1)CNC3=O)CCO2 1837154069 NEWDGJLJFAFVJK-QFIPXVFZSA-N 411.458 0.413 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3noc(C)c3C)C2)C1 1837392598 FLQQZBRZOUPCRE-IERDGZPVSA-N 421.494 0.935 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1837395309 WYVHYLWGMVSXLN-IERDGZPVSA-N 419.478 0.430 30 20 HCED CO/C=C(\C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490671 KRFDJPIJHUUZHN-RRXSNJIPSA-N 420.506 0.692 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837973884 JRWPDFHFJFFDMR-KKSFZXQISA-N 417.462 0.199 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838215852 QIEGCZDTASUBBS-HRAATJIYSA-N 418.494 0.428 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c(Cl)cccc34)C2)C1 1839809395 NFMDESNHLSSIJS-IBGZPJMESA-N 402.838 0.920 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840175096 KTQZUYAPXGNPNI-LJQANCHMSA-N 405.407 0.947 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C(F)(F)Cl)CCO2)C1 1840285210 GRUWVTKOFVUVNC-MLGOLLRUSA-N 410.845 0.848 30 20 HCED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cnn1C 1840812891 QUYIZUDORGMAQX-FQEVSTJZSA-N 401.467 0.492 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C2 1841600315 SASCPCDUKJHXRB-HZPDHXFCSA-N 423.510 0.768 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1844236650 ZGXPLRIEKUNLNV-AWEZNQCLSA-N 422.507 0.228 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCCNC(=O)C2)n1 1847348116 GDZLQFORERPPSS-IRXDYDNUSA-N 424.505 0.773 30 20 HCED C[C@@H](C#N)OC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 5643505 LBTPVRIQWLUUHY-ZDUSSCGKSA-N 406.464 0.982 30 20 HCED N#Cc1ccc(CN2CCN(CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)cc1 27356681 ZARCBSVJZAMZBX-UHFFFAOYSA-N 408.462 0.326 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4nccs4)CC3)CC2)o1 31583385 LYZSVIHTYPQBBM-UHFFFAOYSA-N 401.496 0.782 30 20 HCED C=CCn1nnnc1SCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 52895647 OPIHRGZQGWSSOW-UHFFFAOYSA-N 412.497 0.849 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCC1(CN2CCOCC2)CCCCC1 409516547 HLNHHHXPKKEKDO-UHFFFAOYSA-N 402.561 0.966 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 431183464 XSHXVPXYLWOYFP-UHFFFAOYSA-N 402.432 0.973 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 431977901 QVMGSNIRVLPXNE-HNNXBMFYSA-N 408.480 0.410 30 20 HCED CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432876580 GHBMWRNYZZQHIT-UHFFFAOYSA-N 415.313 0.763 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 434742883 CIIYDHFCDPAZEA-QZTJIDSGSA-N 411.572 0.179 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 435641162 HIGTYTKQALECOQ-AWEZNQCLSA-N 412.443 0.241 30 20 HCED CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)[C@H]1CCS(=O)(=O)C1 437076293 NWMNTAGWMGEAQC-AWEZNQCLSA-N 409.464 0.558 30 20 HCED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 437726356 AOOFXBAIPHIRMK-KGLIPLIRSA-N 418.498 0.838 30 20 HCED COC(=O)c1cccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)c1 438237261 KJAXMMQCMLWVHL-UHFFFAOYSA-N 419.463 0.948 30 20 HCED CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443522352 PQABCEAVBAYCBU-UHFFFAOYSA-N 415.313 0.763 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)cc1 447456478 AXKMKEVSRPIGGV-MAUKXSAKSA-N 419.478 0.413 30 20 HCED N#CC1(CS(=O)(=O)N[C@H]2CC[C@H](NS(=O)(=O)CC3(C#N)CC3)CC2)CC1 463857496 REVHZYBPQCAXJK-HDJSIYSDSA-N 400.526 0.744 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 468760687 AHVBQXBAEJLJFU-SGTLLEGYSA-N 411.480 0.434 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@]3(CCOC3)C2)n1 469635289 XRCWKGTVSYAQIL-LJQANCHMSA-N 415.837 1.354 30 20 HCED COCCN1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1=O 471099193 SAINHWPGTVKLGK-UHFFFAOYSA-N 410.377 0.805 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 478858430 AVAPZKURLGKESM-UHFFFAOYSA-N 409.446 0.838 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCSCC1 479372164 DMXQDQHTWJRLCK-HNNXBMFYSA-N 408.549 0.828 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)NCc2ccccc2)ccc1F 481105528 MAMBOHCECUVFDJ-UHFFFAOYSA-N 404.423 0.872 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)c1 502200275 ACIQTXPPPKNWAW-UHFFFAOYSA-N 424.552 0.163 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 504411918 SQBVNXXARATXIM-NVXWUHKLSA-N 419.507 0.634 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C(=O)N(C)C)ccn1 506223329 KCFRQTCUSDNUJC-LBPRGKRZSA-N 401.448 0.961 30 20 HCED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C2 508317608 LFQBVLMIKSOEGW-HOTGVXAUSA-N 401.442 0.836 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 508473223 NQSNBDJKPXAVLV-OAHLLOKOSA-N 409.450 0.329 30 20 HCED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 508917356 JFXGWHVYQUUANU-RBZJEDDUSA-N 409.512 0.411 30 20 HCED N#C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 518499651 WPLZKPYIJGXEFG-ZBFHGGJFSA-N 408.436 0.889 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 532622122 BYXQYFJXWBHFSH-ZYSHUDEJSA-N 420.535 0.985 30 20 HCED COCCN(CC(=O)N[C@](C)(C#N)C(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 533358625 GVVHMVSRPMYUJL-LJQANCHMSA-N 408.503 0.694 30 20 HCED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cc2)C1=O 535882380 HBHCYLJKEXQDMQ-SFHVURJKSA-N 401.448 0.923 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@@H]2C(N)=O)CC1 540589908 BUKNDKKUUXJKBE-IAGOWNOFSA-N 405.499 0.437 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(Cl)c1 541670966 ZPUQCTPIMNRIFH-UHFFFAOYSA-N 419.869 0.153 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 543221811 IJXPPNMXBYAMHC-INIZCTEOSA-N 417.510 0.522 30 20 HCED CNC(=O)Cn1cnc(NC(=O)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)n1 543929859 BAKIQQJZDBFNRD-UHFFFAOYSA-N 417.429 0.818 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 547971571 GVZBMVNHBZNCJZ-UHFFFAOYSA-N 411.915 0.462 30 20 HCED C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@@H](C)O1 550582133 MXYRZCWYDXNYEL-ZIAGYGMSSA-N 419.530 0.259 30 20 HCED C=C(C)Cn1c(C2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 555264980 CEPKTXYZLSGRIS-UHFFFAOYSA-N 414.514 0.978 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 557500125 ZTOJJKMLRUCWML-UHFFFAOYSA-N 423.520 0.607 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 558524328 JLQKFSVPHJOVMI-WBVHZDCISA-N 423.477 0.837 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 562222949 DDNOTMBMJBDHRH-SZMVWBNQSA-N 404.492 0.600 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 568572035 ZOWJBWBBQORXTR-HNNXBMFYSA-N 411.466 0.550 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 570891566 RKWBZEFTQGLVCO-KRWDZBQOSA-N 406.508 0.407 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 571964502 APNAMKQXQJHNEA-HNNXBMFYSA-N 400.522 0.783 30 20 HCED CNC(=O)CC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 577119257 PCIFYZVAEYOHIR-AWEZNQCLSA-N 409.450 0.985 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 577294833 VFTSZNWCIVPTNF-GOEBONIOSA-N 404.492 0.696 30 20 HCED CN(C)CCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3F)[nH]2)[nH]1 578103281 WMPFLCDPIWXKAY-UHFFFAOYSA-N 410.413 0.062 30 20 HCED COC(=O)c1cc(F)cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1F 580611112 YHWQGZFDNBQMGH-UHFFFAOYSA-N 420.376 0.958 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 582307975 QCBGRCPNJWYFEH-UHFFFAOYSA-N 415.313 0.715 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(CC3CCOCC3)CC2)c1 584559862 LHRCDTXYMIKZKX-UHFFFAOYSA-N 406.508 0.407 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)C2=O)cc1 588056076 UOXITEJLOPEIKK-IEBWSBKVSA-N 409.490 0.770 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 588109789 BFDKKQPKLRXWIL-UHFFFAOYSA-N 415.313 0.715 30 20 HCED CC[C@@H](C)[C@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 609532747 PUUWOMUDBWJROC-UZLBHIALSA-N 401.511 0.949 30 20 HCED C[C@H]1CC(=O)NCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 610242173 RKNWMVXJDXREND-AWEZNQCLSA-N 404.492 0.696 30 20 HCED C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C(=O)N1c1cnn(C)c1 610309103 YASAVRCAEICJOD-SJKOYZFVSA-N 404.434 0.983 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NC3CCN(CC#N)CC3)cn2)C[C@@H](C)O1 610478748 AMNRMRAKNCMYJK-HUUCEWRRSA-N 403.487 0.628 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)NCCc3nnnn3C)c(C#N)c2N)cc1 611330964 ZDNUZZIWRHICDN-UHFFFAOYSA-N 408.470 0.633 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 613156973 CSDQCSYEQZOEBQ-ORAYPTAESA-N 408.422 0.947 30 20 HCED N#C[C@@]1(F)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 615647068 WQLWUYJSAMVRAR-SFHVURJKSA-N 410.471 0.261 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726182264 MTKAJFDSHHATRN-UHFFFAOYSA-N 422.514 0.310 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 728530699 NXIOAYZEDMSVSV-UHFFFAOYSA-N 416.503 0.271 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCCNC(=O)c1ccc(F)cc1 731995253 HDTUFODVXTVWRO-UHFFFAOYSA-N 418.450 0.801 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1C(=O)CCC1=O 733777987 IRLBFXBEMHUEML-AWEZNQCLSA-N 420.491 0.549 30 20 HCED N#CC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CCCCC1 745585911 JAXCBEQIWNYTGI-UHFFFAOYSA-N 407.448 0.445 30 20 HCED Cn1nc(Br)c2c(NN=C3CCN(S(C)(=O)=O)CC3)ncnc21 747630665 QHBABFGTGHPBBY-UHFFFAOYSA-N 402.278 0.949 30 20 HCED C=CCN(CC(=O)OCC)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 747649414 FNDCLCBVBWLKFW-UHFFFAOYSA-N 412.512 0.707 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)c2ccccc2NC(=O)Cn2cnnn2)c1 749278922 NWKJFLQKOGOQQP-UHFFFAOYSA-N 419.401 0.657 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1CCS(=O)(=O)CC1 753574311 CDOYVVMKBLHDHQ-LBPRGKRZSA-N 400.478 0.593 30 20 HCED COC(=O)c1cccc(COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C#N 756162269 IZZQWVHUTHCPIE-UONOGXRCSA-N 420.443 0.424 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 756890028 APKHFSACQVBTRW-PCKPYIHYSA-N 418.450 0.024 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 758050208 PFFMGZWNWBBHJY-UHFFFAOYSA-N 411.458 0.816 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2sccc2C)c1=O 758053227 GQZDVMIFWJRVAX-ZDUSSCGKSA-N 401.513 0.567 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(=O)O)C1 767156295 XWXOLPOTHUGTKM-UONOGXRCSA-N 409.464 0.452 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CCN1c1nccn2cnnc12 771240770 QXHYGJLNVVILID-AWEZNQCLSA-N 420.433 0.702 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 773293373 OKCKVPVRFGHPPQ-UHFFFAOYSA-N 401.444 0.742 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)C1=O 776512170 PZYOACWJHLQERQ-OLZOCXBDSA-N 408.455 0.820 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 777287301 LJFXTAYKUKBSJW-UHFFFAOYSA-N 423.369 0.346 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Br)nc1C)[C@H]1CCS(=O)(=O)C1 783479239 BMELWWSEHFRMQT-NSHDSACASA-N 414.281 0.740 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 783617249 BSNBMGGDMZDHFQ-CABCVRRESA-N 400.497 0.685 30 20 HCED C[C@@H]1C[C@@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CO1 784269586 IXYBHVBNLULVJN-GDBMZVCRSA-N 421.475 0.359 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](O)C2)c1 789607534 IKWISLSQCWMTMX-YXDNYIMLSA-N 422.507 0.715 30 20 HCED N#C[C@H](C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cnc2ccccc2n1 792100648 NRTCOSCSYJHKBM-STQMWFEESA-N 411.443 0.972 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 793992190 HFWSPQAZDUPANT-UHFFFAOYSA-N 405.436 0.122 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)CC2)o1 796285677 RPZFLTIMYYAHLE-DOMZBBRYSA-N 417.466 0.727 30 20 HCED C#CCN=c1nc(N2CC[C@H](C(=O)OC)[C@@H]2C)[nH]c(N2CC[C@H](C(=O)OC)[C@H]2C)n1 804645993 JUKTWMUBHABNHR-XGUBFFRZSA-N 416.482 0.114 30 20 HCED COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 805502796 OHLMUXHCGFJCQX-RYUDHWBXSA-N 410.448 0.925 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCC#N)c1 807343983 BGOHEXBILNHBQX-XJKSGUPXSA-N 408.480 0.752 30 20 HCED C#CCn1ccnc1C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 807944818 QMFCXRQMVDRVDM-UHFFFAOYSA-N 418.435 0.891 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(-c3cncc(S(N)(=O)=O)c3)no2)cc1 820961671 UIGYJSYRVQDGJC-UHFFFAOYSA-N 419.444 0.358 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C)c2)c1=O 839370870 RHTJDDFAGGIJBY-UHFFFAOYSA-N 405.549 0.424 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 849051600 QCXSCMPFZQUWGL-HXUWFJFHSA-N 413.563 0.900 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916874952 INRPXAHIIWKKQZ-INIZCTEOSA-N 409.464 0.183 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920414970 FGYRHHUHQAIRCJ-KGLIPLIRSA-N 423.447 0.677 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CC(=O)N(C)C)CC2)c1C#N 1290577901 UHMJGZHLMCCXJI-UHFFFAOYSA-N 411.514 0.874 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1296306810 PNUAKQWDLDZGRX-UHFFFAOYSA-N 420.481 0.960 30 20 HCED N#CC1(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOCC1 1324021334 IRTPTGMEZSTOSI-CABCVRRESA-N 414.480 0.045 30 20 HCED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCN(C)C2)cc1 1542483317 PFASNEQBEMNRAZ-RXVVDRJESA-N 412.494 0.961 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](C)CC#N)CC2)cc1OC 1654068790 JCJUTRZTGWWNLZ-AWEZNQCLSA-N 410.496 0.428 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1696940897 MNUUUOMYKLAZGJ-UTKZUKDTSA-N 410.478 0.931 30 20 HCED CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697020501 KGEXLBYWHXWCMY-UHFFFAOYSA-N 418.527 0.544 30 20 HCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1710988953 RLMQOIMMNAIEQW-UHFFFAOYSA-N 402.480 0.386 30 20 HCED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1711446838 XZCVAZGHZQWTOH-HNNXBMFYSA-N 418.479 0.365 30 20 HCED COCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730730249 XFCSUNQPZPLMDU-KRWDZBQOSA-N 418.546 0.171 30 20 HCED CNC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748273957 QQTAIDOTXROFDW-UHFFFAOYSA-N 411.514 0.922 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1778084705 XLIFTRFSBPYIHT-QRDCCXFBSA-N 408.524 0.879 30 20 HCED Cc1ocnc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102846 KEKHXNZXVWJWCB-FHROPHAGSA-N 406.439 0.956 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779221523 STCQLNKHYQQUEQ-OXQOHEQNSA-N 419.482 0.254 30 20 HCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)S)C2 1779325623 NGVRBFDGEVRVLN-UHQDVWGKSA-N 400.545 0.526 30 20 HCED 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20 HCED COc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc(OC)c1C 1783568393 WXAWKZZYQUJLPO-OAQYLSRUSA-N 416.430 0.544 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)C(C)(C)C)[C@H]2C1 1784018756 JMWYIBZASCKULS-PYMUSDAFSA-N 407.511 0.232 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)ccn3)C[C@@H]21 1784485012 JBJGASHBTVZOJE-YEWFCNIMSA-N 401.463 0.722 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc4ncccn4n3)C[C@@H]21 1784502588 YFGAPQZMNBZQPA-UGUYLWEFSA-N 414.466 0.309 30 20 HCED Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)n1 1785375736 HDIGAISXYFNQLM-FQEVSTJZSA-N 410.434 0.209 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1785383410 NLFPQOCAXRUKHF-NRFANRHFSA-N 409.446 0.733 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)[C@@H]3SC(=N)NC3=O)[C@H]2C1 1787500772 SBJGZVIHMROEBH-QNILMXGZSA-N 422.551 0.981 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C\C(=O)NC4CC4)[C@H]3C2)cc1 1788495549 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C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323499 LIRPQXWDWSTBAZ-LJQANCHMSA-N 408.524 0.718 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814403 HTWBPLVDYTVMCQ-JXFKEZNVSA-N 416.482 0.064 30 20 HCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)C(O)O)C1)C(C)(C)S 1841236855 RNFAGMSIIPKHKS-LLVKDONJSA-N 417.528 0.102 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1841430005 LBEHCQAFDJGGPG-CQSZACIVSA-N 406.483 0.769 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842738120 NITJSTIGDNQUHX-GJZGRUSLSA-N 418.494 0.385 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300784 AIKNKJINCKATIB-OPBOMBAJSA-N 409.487 0.426 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846196221 AMSMOMMKBHDTTR-HNNXBMFYSA-N 419.478 0.925 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)c1ccc(OC)cc1 1847259817 BDJDSBRHCZJAJB-NVAVKKRISA-N 413.474 0.789 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1847644188 ORBUJFFESQAPBY-CRWXNKLISA-N 401.529 0.782 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 24682095 PZGBSZIBOKOWBU-OAHLLOKOSA-N 413.521 0.142 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 409588564 ZWKBARKXOPFUAA-UHFFFAOYSA-N 400.526 0.863 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)CCO1 410140382 AGEZEZKHFCRDRO-LBPRGKRZSA-N 400.407 0.192 30 20 HCED Cc1cc(=NC(=O)[C@@H]2CC[C@@H](C(=O)N=c3cc(C)n(CCC#N)[nH]3)O2)[nH]n1CCC#N 428034202 SHOMXZFPUANJDQ-HOTGVXAUSA-N 424.465 0.492 30 20 HCED C=CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 431194427 TUHOUHINHZXCLA-ZDUSSCGKSA-N 408.523 0.470 30 20 HCED COCCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 431922885 BQGYFFYAEDUSNG-HNNXBMFYSA-N 412.487 0.738 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 435438766 RDVPJRTTZWRDHT-UHFFFAOYSA-N 402.523 0.904 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 437094839 JAJLSCIHYATHRY-MSOLQXFVSA-N 408.462 0.847 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1C 440297779 OFDJIMPCZKHETJ-HNNXBMFYSA-N 416.463 0.189 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 467588252 NHRWKSHIUVYORI-UHFFFAOYSA-N 410.478 0.952 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCn3c(=O)n(C)c4ccccc43)CC2)c1C#N 471672778 YOQJSWPVRCTEDV-UHFFFAOYSA-N 407.478 0.993 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cncc(NS(C)(=O)=O)c3)CC2)c1C#N 471710613 CIHRKFAHXBGVRP-UHFFFAOYSA-N 403.468 0.329 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(S(N)(=O)=O)c1 479765115 CCARREQOGCZIIV-NSHDSACASA-N 408.461 0.511 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OC 481603526 ZFGVIUIPIWGCAZ-ZDUSSCGKSA-N 405.494 0.729 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)C1=O 483967849 YEHKWWBFCDYBLI-INMHGKMJSA-N 401.419 0.704 30 20 HCED COc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)nn1C 485718740 SRDGHLGDFRNKGH-UHFFFAOYSA-N 403.464 0.756 30 20 HCED CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 494350604 QBDTVBFZMQNNMA-KRWDZBQOSA-N 411.466 0.052 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc4ccccc4n3)CC2)C1=O 499141137 ZETAQBWXHNCKQS-UHFFFAOYSA-N 407.430 0.860 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O)cc1 503499324 DOWBONOJHXZXQU-AWEZNQCLSA-N 407.492 0.989 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc(C(=O)O)cc2OC(F)(F)F)n1 505828780 XRZUITDJUGSNHL-UHFFFAOYSA-N 405.314 0.725 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 509371898 MVXLTPGTYJMUTR-OAHLLOKOSA-N 411.503 0.652 30 20 HCED CCS(=O)(=O)c1ccc(N2CCC(NC(=O)NCC(=O)NCC#N)CC2)cc1 511918098 BJZMHIUWCWATTA-UHFFFAOYSA-N 407.496 0.388 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 518388944 YHXQFOMWKFSLJU-LLVKDONJSA-N 408.448 0.445 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1 520133453 NXYXGHQYABNPEG-UHFFFAOYSA-N 422.488 0.919 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 522629847 JFTMGZRQVYOGNN-LSDHHAIUSA-N 409.487 0.999 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)CC2)c1C#N 530469098 UZDMRIMMRWQRLV-JOCHJYFZSA-N 408.506 0.886 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1Cc1ccon1 532193778 UWKYSCIMLITADZ-UHFFFAOYSA-N 414.418 0.343 30 20 HCED C[C@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 532469624 UBCPCXYQFFZKBQ-CQSZACIVSA-N 400.464 0.682 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 534017931 KUINIGZDSQHGLN-CXAGYDPISA-N 423.491 0.700 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1=O 540762179 JXDOEEZMRNFYTP-CYBMUJFWSA-N 422.800 0.677 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@]3(CCO)CCOC3)n2)c(F)c1 543005157 KQWPTCKRFLWMSG-IBGZPJMESA-N 401.398 0.727 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CC[C@@H](CO)O3)CC2)cc1 552355939 QPWSALLPPXMYHW-SJORKVTESA-N 407.492 0.615 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)C2=O)cc1 554694481 KKLAJHSOQLFWKN-AKHDSKFASA-N 410.474 0.849 30 20 HCED CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2CCCOC)c1=O 555426164 KHMUJWDUJHLRHM-CQSZACIVSA-N 416.503 0.271 30 20 HCED CNC(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 562126222 VEZXGKLBRVWHLS-UHFFFAOYSA-N 402.432 0.600 30 20 HCED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 576575981 IXMMSZAVCWYCES-AWEZNQCLSA-N 421.397 0.729 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)CC2)c1C#N 577311377 FEMZSRIWDAUXHL-UHFFFAOYSA-N 416.438 0.849 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cc1 581042693 LHCRPRCLRDWXLC-AWEZNQCLSA-N 420.413 0.216 30 20 HCED Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589488327 ZPFDAPYOLKGRPG-LJQANCHMSA-N 412.471 0.845 30 20 HCED COCCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cn1 610194812 IXBMDOUUOKGJJW-UHFFFAOYSA-N 408.396 0.226 30 20 HCED C=CCc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1OC 728698591 OOJSZXSMZPZYBT-SJORKVTESA-N 424.519 0.660 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCS(=O)(=O)C3)cc2)CC1 731926650 OKHRXLDNXBWUCD-UHFFFAOYSA-N 400.526 0.599 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 732465109 CLJDNRDSAJRFIN-ZCXUNETKSA-N 414.422 0.953 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 733314096 IXXQJWRTZJYWIG-UHFFFAOYSA-N 411.549 0.801 30 20 HCED COC(=O)N1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742583923 ULAWYUJNFFYBJN-LBPRGKRZSA-N 408.480 0.851 30 20 HCED C[C@H](CC(=O)NCCC(=O)N=c1cc[nH]cc1)/N=C1/NS(=O)(=O)c2ccccc21 742606907 LAJZUUVDNAAWOY-CYBMUJFWSA-N 415.475 0.466 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cn1 746446913 OLBKJRCSQVZUBA-UHFFFAOYSA-N 415.885 0.937 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753361297 ZODQBWURELNWLV-UHFFFAOYSA-N 414.487 0.486 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 755491011 BLSAHWZFVFWADI-HDOZFUISSA-N 408.480 0.491 30 20 HCED CC(C)N(CCCNC(=O)CON=Cc1ccc(-n2cncn2)cc1)S(C)(=O)=O 762689421 KPGRCKVTVBJHAM-UHFFFAOYSA-N 422.511 0.794 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](OCCN2CCCC2)C1 762984150 JBAVKIRUOXTZNV-HNNXBMFYSA-N 406.508 0.438 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c1ccccc1 769204330 HEFWAMULSYMGMP-UHFFFAOYSA-N 401.400 0.336 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769646849 IACBZJVGECRTRZ-UHFFFAOYSA-N 411.531 0.603 30 20 HCED N#Cc1ccc(OCC(=O)NS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 771375139 VANKBMZIVBZLKK-UHFFFAOYSA-N 423.834 0.960 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2ncnc2C1 771631014 WQASJACMDWXQPV-UHFFFAOYSA-N 402.480 0.919 30 20 HCED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC(C)C 771896649 FPLRBDIQKISFJG-UHFFFAOYSA-N 410.452 0.192 30 20 HCED C[C@@H](CC(=O)OCCN1CCCS1(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 773166197 NGQFTWDOVBPSJZ-LBPRGKRZSA-N 415.493 0.082 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(I)cn1 773486555 FQXJBRBCWNPKBK-UHFFFAOYSA-N 423.232 0.342 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 776648262 APIYNLRWCLZFDG-MRXNPFEDSA-N 406.527 0.773 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C(=O)N1c1cnn(C)c1 780059767 IGFOMPXOTKIJMD-ZENOOKHLSA-N 410.434 0.960 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)(C)O 784065423 HWYDPUISZLIQQO-OBZJLHOISA-N 410.496 0.714 30 20 HCED CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCNc2ncccc2C#N)C1 787752761 BFPSRANIGLXJDR-OAHLLOKOSA-N 400.483 0.492 30 20 HCED C=CCNC(=O)NC(=O)CN(C(C)=O)S(=O)(=O)c1ccc(Br)cc1 794438532 XWAWMAVNGPOECC-UHFFFAOYSA-N 418.269 0.998 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)c(F)c1 805880681 JEACBMXDOKIYLY-CABCVRRESA-N 418.450 0.490 30 20 HCED CC(C)NC(=O)OC1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 807804764 OUVZJLLOINUYNM-UHFFFAOYSA-N 408.480 0.851 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)c1 808083236 TUEJUTGVADFHOS-HNNXBMFYSA-N 417.491 0.623 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 813713443 JMDGETZOPLSPHV-MELADBBJSA-N 400.501 0.822 30 20 HCED N#C[C@H](C(=O)C1CCC(OC[C@H]2CCCO2)CC1)C(=O)N1CCS(=O)(=O)CC1 815947012 MGNYYJMUQAALBT-BHUNQDJPSA-N 412.508 0.707 30 20 HCED CC(C)OCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CC1 839378991 NOIDEAJWMSPYLL-UHFFFAOYSA-N 415.519 0.413 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 853146227 YXDWQEUHHRQYQT-KGLIPLIRSA-N 413.496 0.508 30 20 HCED C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)NC1(C#N)CCCCC1 913374319 AANYJYOCQUHKBO-LBPRGKRZSA-N 413.434 0.520 30 20 HCED Cc1cccc(NC(=O)[C@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 916897289 GBIIEYOTNZCJDX-HUUCEWRRSA-N 416.459 0.808 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C2CCN(C(C)=O)CC2)cn1 1115945817 RQZAAVNHPZWYEG-OAHLLOKOSA-N 406.512 0.982 30 20 HCED N#Cc1cn(CC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c(=O)nc1O 1150904049 UDHDJDCDMZDXJC-UHFFFAOYSA-N 401.810 0.345 30 20 HCED N#Cc1cn(CC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2)c(=O)nc1O 1155814297 QOWLXFMGRQOLOG-CYBMUJFWSA-N 418.251 0.978 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1CS(C)(=O)=O 1158733666 LCRJIYNHCDJKAZ-DZGCQCFKSA-N 413.521 0.651 30 20 HCED CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(CCC#N)CC2)c1OC 1213446601 KJKGAJXVRBETFC-UHFFFAOYSA-N 400.888 0.928 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1248608870 LBVOESUGJUIQOF-UHFFFAOYSA-N 401.467 0.805 30 20 HCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1302438652 IUWFMLNNPTZKFG-IAGOWNOFSA-N 417.491 0.855 30 20 HCED CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303274637 JFJKDPLLHRXIJD-DLBZAZTESA-N 400.531 0.746 30 20 HCED CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1315070891 WDSMNDIDVCIYTN-UHFFFAOYSA-N 414.495 0.736 30 20 HCED CN(CCNS(C)(=O)=O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1323458068 QRKQFPWAVOVDCL-KRWDZBQOSA-N 411.503 0.016 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(c4cnccc4C#N)CC3)c2C1 1324302704 LJJIHHXGPSDNRW-INIZCTEOSA-N 407.478 0.811 30 20 HCED COC(=O)c1cccn(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 1532608255 WGNVXUCGDVKMHC-CYBMUJFWSA-N 404.423 0.606 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1565166033 GOEZSBPUWZJSIB-GJZGRUSLSA-N 403.483 0.698 30 20 HCED CC(=O)Nc1ccc(CN2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 1651868011 MKIACAHMYHQBCS-UHFFFAOYSA-N 410.478 0.991 30 20 HCED COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)O1 1682022195 VFIYISLRHLDFKB-XKQJLSEDSA-N 400.435 0.631 30 20 HCED CS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1698308829 CYOPGSRQTVXZBH-INIZCTEOSA-N 405.480 0.673 30 20 HCED CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1712702241 KHVLRVHBTYBJHV-UHFFFAOYSA-N 423.520 0.342 30 20 HCED 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30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1829762646 MQVPOYBOXJWAHD-HOCGJXRLSA-N 421.469 0.193 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)ccc1F)CCO2 1830191986 KDEBGQNHKXFELH-LJQANCHMSA-N 424.812 0.637 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830955666 MTRWBEDPGGLOPR-IIBYNOLFSA-N 404.511 0.940 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)C1 1831207275 BIOQORNPHLKWAL-HMFYCAOWSA-N 418.490 0.446 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1831426369 KTCMJKGBPLTBLH-HNDADQJNSA-N 416.540 0.193 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCN1C)CCO2 1832065152 QRQZHGBIZXJOKU-LAUBAEHRSA-N 423.510 0.046 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1832451473 DUSUABJHIGMRKR-IBGZPJMESA-N 408.524 0.718 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1832454476 PXSJPRBQHHAPCK-IBGZPJMESA-N 408.524 0.718 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833092149 WCEXHULTMOVCNC-YLJYHZDGSA-N 421.498 0.449 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1833467233 ODJQMFPALJJXQE-QGZVFWFLSA-N 414.506 0.544 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cc(C)[nH]n3)CC2)CC1 1833468032 JQOXGUBMXVKVQQ-KRWDZBQOSA-N 415.538 0.871 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)CNC(C)=O)CC2)CC1 1833470500 HBEVUFIIARNITF-UHFFFAOYSA-N 408.543 0.677 30 20 HCED COc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(F)c1 1833635082 KTCKZABXOYWPEJ-SGTLLEGYSA-N 413.471 0.618 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC)nc3)CCO2)C1 1833886901 CDQSKZWTUGZFOK-HTAPYJJXSA-N 415.490 0.752 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCCCC1)CCO2 1834691324 NCBVIADEFKREIO-FMFFHWJCSA-N 419.522 0.882 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)C1 1834755961 GBTQBBDHZBQBQV-IIBYNOLFSA-N 418.494 0.148 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1835100348 NOQJYRZKYNTTAH-QFIPXVFZSA-N 406.442 0.598 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1cccn1 1835102678 WPGTZMKABGDJDU-AUSIDOKSSA-N 422.485 0.952 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1835361134 BAMWXIFECLIOQD-NRFANRHFSA-N 412.446 0.555 30 20 HCED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1835530993 MPADUJVPGZNPJR-BTYIYWSLSA-N 418.469 0.291 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)CC1 1835717951 SZUJJGQTVMVWMQ-DNVCBOLYSA-N 422.570 0.656 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837243431 HOYCIFYTHFOMON-JHPRIADQSA-N 400.541 0.814 30 20 HCED CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1837263011 YXQFTXBAAVVFAF-UZEMUUNISA-N 405.451 0.705 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1837396510 IEPJSMYSQDEBOW-UWJYYQICSA-N 421.469 0.864 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1837397214 SRFGYKJAVVLMIH-GLJUWKHASA-N 402.438 0.671 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837835494 AIJQVNYHRPPCIV-LBPRGKRZSA-N 423.472 0.028 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(O)[nH]2)CCO3)c1 1838069892 QQTXTVPAGSZEJT-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838403694 FRMRWBLVLIWFHJ-CMTYYKMCSA-N 411.499 0.895 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404868 SOVONPFOYOPKKU-VGOFRKELSA-N 423.554 0.848 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838732502 UJNKHLNADMPJGE-HXUWFJFHSA-N 410.434 0.369 30 20 HCED CC(C)(O)CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838950494 YSLBHTNVOMCZPS-OAQYLSRUSA-N 401.463 0.789 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839762305 GCQHZLZYCYATMG-HXUWFJFHSA-N 406.479 0.590 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1840161636 WKMCMKDWHAYAAJ-KUHUBIRLSA-N 404.492 0.723 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3nc[nH]c3C1)CCO2 1840361983 DWDZALKKQCCLIM-FOIQADDNSA-N 401.467 0.275 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840843191 ACUAMWKUCQSFNR-NRFANRHFSA-N 411.462 0.142 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840885927 ICLMMJLPWKJHAK-UGSOOPFHSA-N 402.513 0.350 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)Cc1cnc3ccccn13)C2 1841053039 QFHPXUISUPXFHG-FPLPWBNLSA-N 407.474 0.939 30 20 HCED CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)CC1 1844313933 BPRWUNQEDPNEDH-HYARGMPZSA-N 401.511 0.539 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnnn1C)C2 1847071805 WXQJENRPTRHXLA-CQSZACIVSA-N 416.482 0.549 30 20 HCED C=C(C)CNC(=S)NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 16238490 UXTYWDYTMRZBCL-UHFFFAOYSA-N 415.497 0.983 30 20 HCED N#Cc1ccc(OCC(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)cc1 16762272 LOZWVCIHXQTSDQ-UHFFFAOYSA-N 415.427 0.717 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 21578055 DWFAPSODDPYHLS-IYBDPMFKSA-N 406.508 0.500 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 41672544 HRJGADBCTGFEAR-AWEZNQCLSA-N 415.537 0.552 30 20 HCED O=C(NCCN1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 61982055 MUIMFPJLQPQCMW-UHFFFAOYSA-N 421.523 0.698 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(=O)oc3cc(NC(C)=O)ccc23)c1=O 104865118 NKLOQKIJMRBZMU-UHFFFAOYSA-N 424.413 0.657 30 20 HCED CN1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 106157687 ZJJDWACCLZVAPD-UHFFFAOYSA-N 407.540 0.636 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 109904918 APUZBYYZDZQMCR-UHFFFAOYSA-N 412.471 0.800 30 20 HCED CN(C)CCN(CCOCCO)S(=O)(=O)c1ccc(C#N)c(Br)c1 433874423 JSZGTFOEQNNJAS-UHFFFAOYSA-N 420.329 0.882 30 20 HCED C[C@H]1CCNC(=O)[C@@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 441373047 RLYWCRZQRUGADP-SUMWQHHRSA-N 412.450 0.569 30 20 HCED N#Cc1cccc(-c2nnc(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)o2)c1 441484958 GTZBOBSJIYQGQR-UHFFFAOYSA-N 408.418 0.401 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1=O 443227777 VSTYJRZZSBUEPS-ZDUSSCGKSA-N 416.297 0.955 30 20 HCED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCNC1=O 443249751 MZDYOIDQEDQJLP-CQSZACIVSA-N 400.826 1.073 30 20 HCED COCc1noc(CN2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)n1 444223651 RUKVVKLRVZMICX-UHFFFAOYSA-N 413.406 0.872 30 20 HCED C=CCOc1ccc(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1OC 467379962 BPYRXINULHHVNO-UHFFFAOYSA-N 401.467 0.722 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)c1 470395940 BIGHFDUVZYMASS-NVXWUHKLSA-N 412.508 0.637 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 485991899 DZTLSCRFRVXIQV-SFHVURJKSA-N 418.519 0.837 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489296298 VAERWJPNXIGVKB-GDBMZVCRSA-N 424.498 0.696 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 491124860 WUHFMWYFQNADFC-UHFFFAOYSA-N 405.430 0.169 30 20 HCED CN1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 498866139 KOUWIBXMZLMZKS-OAHLLOKOSA-N 403.870 0.597 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncnn1CC(F)F 508465786 RQMJSNNARZCATK-JTQLQIEISA-N 404.447 0.567 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC(=O)Nc2cccnc2)n1 513200775 WWYQVTQYXONJOT-UHFFFAOYSA-N 407.365 0.971 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 514707372 DMWHAHPXQDLNBF-ZDUSSCGKSA-N 404.496 0.274 30 20 HCED Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 517327359 HYIVPFVHGARQDA-OAHLLOKOSA-N 402.476 0.874 30 20 HCED Cc1nnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 521704386 MXCRHROVWDZKMA-UHFFFAOYSA-N 420.520 0.977 30 20 HCED COc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OCCCC#N 523841183 RTJGIKSTCBBHDJ-ZWKOTPCHSA-N 423.535 0.965 30 20 HCED C=CCNC(=O)c1ccccc1NCC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 531012077 PRNOOASHQOOLHG-OAHLLOKOSA-N 409.508 0.676 30 20 HCED COCCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 532457649 FHVZRUFSZFKHNX-AWEZNQCLSA-N 418.475 0.962 30 20 HCED C=CCN(CC(=O)NCC1(N2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 533065731 HYKAXPWWANTKLL-GOSISDBHSA-N 413.584 0.813 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 541895851 JYFXJMVJKVEJSG-UHFFFAOYSA-N 405.484 0.546 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 544303725 RTMSTXFJZKHMJU-AWEZNQCLSA-N 404.423 0.869 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 546707978 QKMGHXLVWWDYPI-ZDUSSCGKSA-N 405.418 0.904 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C 553401334 JQDOYWWQXHJNAP-HLLBOEOZSA-N 406.508 0.547 30 20 HCED CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)NCCn1cnc(C#N)n1 553953185 QVDHEWXAALCWMS-UHFFFAOYSA-N 406.468 0.664 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1nnc2n1CCC2 555860434 HEFUASGWIUHVQV-ZDUSSCGKSA-N 411.441 0.761 30 20 HCED Cc1cc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nn1CCC#N 558528082 NRFRYIVVTYIVKJ-UHFFFAOYSA-N 418.479 1.369 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 559526605 XWZFXYZYRXSXCL-SFHVURJKSA-N 404.511 0.844 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 564047992 ZGROMRIMFQGABR-QGZVFWFLSA-N 422.493 0.121 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCC[C@H]2C1 564198906 FPWXSAHETNZHOK-IVJVFBROSA-N 418.519 0.988 30 20 HCED CCN(C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567784559 MYWIPITZNSMSOB-MJGOQNOKSA-N 411.506 0.970 30 20 HCED C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 567954061 NBJZUWCXPMCLRP-KFKAGJAMSA-N 412.490 0.927 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)C1=O 577987511 KOBNVVZEMXRLFB-HOTGVXAUSA-N 402.499 0.059 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 581510127 GJUSEBNFVWMCDL-MSOLQXFVSA-N 423.473 0.021 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CCN(C)CC1 586851113 PJENDGGORNXSKU-AWEZNQCLSA-N 414.510 0.919 30 20 HCED N#Cc1ccc(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 588894515 QPPJOSUXZQLGNY-GOSISDBHSA-N 414.487 0.581 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 603792871 MPYMQKLECUGUBF-UHFFFAOYSA-N 405.426 0.640 30 20 HCED O=C(NCCCN1C(=O)CNC1=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 606078700 ZBXFULAZTGIWQX-UHFFFAOYSA-N 405.414 0.478 30 20 HCED CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 609159266 FVONVQUTNAXLEV-SFHVURJKSA-N 417.477 0.890 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCOCC1 609449535 ZFIVXTOJHKYILY-UHFFFAOYSA-N 421.475 0.611 30 20 HCED COCCN(CCC#N)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 610392328 WYXMEDRGCDFSSP-UHFFFAOYSA-N 424.523 0.817 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 611026907 QXMBMZOBLZUNCF-MGPLVRAMSA-N 407.408 0.465 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 611361093 YJKDOYLLWOOIPC-AWEZNQCLSA-N 423.477 0.942 30 20 HCED Cc1nc([C@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 611536670 PCXCKUCVOKCSSR-CQSZACIVSA-N 405.436 0.702 30 20 HCED CCS(=O)(=O)NC1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726586694 NPEHKWDNGXDUEZ-UHFFFAOYSA-N 419.507 0.684 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4nnc(C)n4c3)CC2)o1 726813018 NYUIFVAJUWGMOE-UHFFFAOYSA-N 409.406 0.711 30 20 HCED COC(=O)[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 728689054 IEPHEZYLBGFSMV-QOBDKFOYSA-N 424.479 0.905 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cn2c(S)nnc2-c2cccs2)CC1 729256567 BQLZDZLBDMOWMW-UHFFFAOYSA-N 418.548 0.579 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 731126025 AJYYSIOGNCNFID-UHFFFAOYSA-N 412.490 0.650 30 20 HCED N#C[C@H](C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(=O)N1CCS(=O)(=O)CC1 732909101 YEOJWYOUEZMJMM-OAHLLOKOSA-N 416.459 0.131 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 737225632 WYNVVKDJRCLONX-UHFFFAOYSA-N 405.835 0.654 30 20 HCED Cn1cc(N2CCC[C@@H](OC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)cn1 741829444 FKIVNRMXOHLBNI-MRXNPFEDSA-N 417.447 0.309 30 20 HCED C[C@@H](CC(=O)NCc1ccc(C(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742482860 NNYDPZRANQAIKI-LBPRGKRZSA-N 400.460 0.919 30 20 HCED CS(=O)(=O)CCOCCNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 743639398 YLOJDQFFXCSBDE-UHFFFAOYSA-N 411.484 0.316 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 746113556 LISAYKKUDPYBAO-MSUUIHNZSA-N 417.466 0.664 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 746214627 BEIYIEBBUUBNKG-UHFFFAOYSA-N 411.550 0.401 30 20 HCED C#CCN1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 750002552 JOFCRKKKEOGXEC-UHFFFAOYSA-N 408.549 0.736 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3nc(C)c(C)s3)CC2)c1=O 753977512 XUBRXLVPDKWWPZ-UHFFFAOYSA-N 418.523 0.397 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2c(C)nn(C(C)(C)C)c2C)c1=O 758076478 OKOPDEQBAGDAEV-UHFFFAOYSA-N 423.542 0.917 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)c1 758226811 PKWYJFZFSREHOB-IKBYJFNHSA-N 420.495 0.741 30 20 HCED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)c1C#N 758870341 VTBYPYIXECRCCZ-HXUWFJFHSA-N 424.417 0.820 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CNC(=O)Cc1cccc(F)c1 766986155 ODZGBTXKLCYODQ-UHFFFAOYSA-N 405.407 0.870 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1 771317933 YLHIRVJGUIDPKV-UHFFFAOYSA-N 421.295 0.073 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 782998831 DSVNWKRDERTJDD-UHFFFAOYSA-N 400.501 0.531 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c1 783464946 OLMKUIKRDVHRFK-UHFFFAOYSA-N 404.426 0.989 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 783482079 UIRKOYJFZNDSIQ-HNNXBMFYSA-N 407.448 0.842 30 20 HCED Cc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(=O)n1C 787601582 DSNYBPJLBMAEGY-UHFFFAOYSA-N 402.476 0.829 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)nc1 794730137 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30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 895063299 MFHVBPBBDBPNSU-LLVKDONJSA-N 408.436 0.011 30 20 HCED Cc1oc(NC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C#N)c1C 904553037 XUEUIWGDAJURCW-UHFFFAOYSA-N 424.421 0.999 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(N2CCOCC2)c1 914494500 OCHRJWPHSOWTSK-UHFFFAOYSA-N 415.475 0.273 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-n3cncn3)nc2)cc1 915613437 LCCIJMOLSWYWOQ-UHFFFAOYSA-N 411.447 0.784 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 919989729 RVWHQWIDPBWYOC-HNAYVOBHSA-N 405.476 0.655 30 20 HCED CN1CCC(C#N)(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1116177100 VDDCXRQOLWPMGH-QGZVFWFLSA-N 410.478 0.640 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCCS4(=O)=O)CC3)CC2=O)cc1 1129816471 PAESYEIZTZNHOP-MRXNPFEDSA-N 416.503 0.938 30 20 HCED COC(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1c1ccc(F)cc1F 1162488411 RKBWYRCHPVMHMW-UONOGXRCSA-N 418.356 0.514 30 20 HCED CCOc1ccccc1N1C[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1=O 1301211472 KPRDUFHXBGUUEO-ZDUSSCGKSA-N 411.418 0.389 30 20 HCED C[C@H](C#N)N(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 1307912820 LAWRSSFSYDUDCA-OAHLLOKOSA-N 406.508 0.700 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1309739641 YDKJRXXGWLGNDC-IUCAKERBSA-N 407.370 0.922 30 20 HCED C=CCn1c(-c2ccc(C)cc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1339541248 ASUAMHJUVZLHSN-UHFFFAOYSA-N 422.493 0.906 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(C)CCC(=O)N1 1450977484 MEXGTVXWHDUJGR-IFXJQAMLSA-N 406.508 0.925 30 20 HCED N#CCc1ccccc1S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1463391372 MWMMXLBALKEYIR-ZDUSSCGKSA-N 400.503 0.927 30 20 HCED CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C 1515905885 PPWNVYPFISOGLQ-HNNXBMFYSA-N 417.539 0.896 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)C3CCOCC3)CC2)o1 1556680893 NZYKPOUIEHNKSQ-UHFFFAOYSA-N 410.496 0.781 30 20 HCED 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HXGGQKUYBJQOEO-MGPUTAFESA-N 418.413 0.761 30 20 HCED C=C1CC(C(=O)N2CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@@H]2c2cccnc2)C1 1812387321 MCLIIBKFEQEXQA-YJBOKZPZSA-N 414.462 0.597 30 20 HCED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1814566474 UKJQIJITSYZVAV-RYUDHWBXSA-N 401.427 0.550 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCOCC2)n[nH]1 1817148538 ZORVEVVWUSBWLI-NVXWUHKLSA-N 403.483 0.772 30 20 HCED COC[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CCC1)CC2 1820196757 IGDOODSVFGMKNG-JSGCOSHPSA-N 419.507 0.900 30 20 HCED C[C@@](O)(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)C(F)(F)F 1822197966 YHDAQMICRQLIHR-MEBBXXQBSA-N 402.329 0.803 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)COc3ccc(O)nn3)sc2C1 1824562300 RENHRWSMALGPAW-RKDXNWHRSA-N 409.493 0.948 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC=C)C2)C1 1829764938 ZDZIDXMRGMONON-PRPIBZDOSA-N 423.535 0.220 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1830057477 FIAWKCPFHNFJMF-XMSQKQJNSA-N 413.474 0.996 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1831402511 JGYPMPVVRYLFQE-GCJKJVERSA-N 421.538 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C(C)C)C2)C1 1831402829 SXCFEUCSJSPOPL-IPJJNNNSSA-N 421.538 0.354 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831406364 JAEINAOWVKVFHU-GOSISDBHSA-N 414.528 0.052 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1831483022 JHECHMFDMYEUBI-BXWFABGCSA-N 412.508 0.724 30 20 HCED COc1ccc(C(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)nn1 1831668572 IIIAANXOKIJDBZ-MRXNPFEDSA-N 400.435 0.807 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)CCO2 1832173677 QUJVJFRQHFYPHU-FQEVSTJZSA-N 416.434 0.897 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)CC1 1832419902 CKYZFWVGMHWAHR-NRFANRHFSA-N 418.494 0.149 30 20 HCED Cc1nnc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)s1 1833015368 IWHOHFHMNXHNHV-FQEVSTJZSA-N 418.519 0.649 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n(C)n3)CCO2)C1 1833410339 HGYCQJOTMCUKTP-KRWDZBQOSA-N 414.409 0.407 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834125147 LZRPUEGWVWEOJG-IERDGZPVSA-N 419.478 0.751 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834300362 FXAUCEBCMMUDQA-HXUWFJFHSA-N 404.467 0.529 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=CCCC3)CCO2)C1 1834678577 OGWSWDKNRPPTNP-OAQYLSRUSA-N 404.511 0.835 30 20 HCED COC(=O)c1ccc(CC(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834769012 VGHHFELYQNEKAU-NRFANRHFSA-N 415.446 0.386 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1C 1835097072 RCQZUHDTEJRJRH-HSZRJFAPSA-N 422.485 0.850 30 20 HCED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1835232581 OVRJWBSMTJPTFZ-NRFANRHFSA-N 417.462 0.673 30 20 HCED COCCOCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1835243251 JSGZFYXYLKHPGM-OAQYLSRUSA-N 417.462 0.291 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5c4)C3)C2)CC1 1835346875 YDEDXODJDGRWKB-OAQYLSRUSA-N 409.446 0.708 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4CN3)C2)C1 1835356925 CDWKMAFVEXYFFO-DENIHFKCSA-N 412.490 0.461 30 20 HCED CN1CCN(CC(=O)NC2CCN(C3CCN(C(=O)C#CC4CC4)CC3)CC2)CC1 1835480116 ZUQIADJYSUMMQQ-UHFFFAOYSA-N 415.582 0.219 30 20 HCED CC1(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CCC1 1835667280 AMUSFBFEYZEKJF-NRFANRHFSA-N 406.527 0.915 30 20 HCED COc1ccc(C(=O)NC2CCN(C3CCN(C(=O)CCC#N)CC3)CC2)nn1 1836054928 ASGBEIHIOZMQME-UHFFFAOYSA-N 400.483 0.974 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836055913 ZSRQGHQOBPCSRJ-OXQOHEQNSA-N 406.483 0.010 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)n[nH]3)CC2)CC1 1836856966 CYGXCHWVBLUSHS-AWEZNQCLSA-N 404.467 0.766 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837529669 AZYGHNPENQUXFD-HOWJYONSSA-N 413.446 0.330 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn(C(F)F)c1=O)CCO2 1837772157 NELRPWURSHXORB-LJQANCHMSA-N 411.405 0.890 30 20 HCED COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595618 VZKZJKPCUNNVPQ-IBGZPJMESA-N 407.854 0.928 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1C(F)F 1838709253 FQBKKMZOZBKSQL-PXAZEXFGSA-N 418.466 0.975 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)c1 1838908824 WULRHJFLDMINSB-NRFANRHFSA-N 424.461 0.310 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(F)F)C2)C1 1839174699 SACNWSAOIOHECB-SFHVURJKSA-N 404.410 0.607 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839843355 ZCQBPIBFWQGBLF-DNVCBOLYSA-N 412.556 0.139 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn4nccc4c3)C2)C1 1840161513 RSPOEFWSHWDMOK-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1840291910 MPVCHYHVKNXIMW-FQEVSTJZSA-N 407.467 0.089 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1840292699 FLZBKJUKHSJHHB-HXUWFJFHSA-N 402.451 0.446 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840386136 JUTGAOUFHZIMKP-QFIPXVFZSA-N 414.506 0.842 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445739 JWIDAQKMMFTKQK-WMZOPIPTSA-N 411.528 0.079 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cc1ccc(Br)nc1)C2 1846196238 BVALNVCRMXUNLD-UHFFFAOYSA-N 406.236 0.678 30 20 HCED CCOC#C[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 2048529313 FUPMDIHCHGVAAL-QSJFSLAZSA-N 407.492 0.769 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(C)C)cc1 41384885 HWBQLAFMGZTENN-UHFFFAOYSA-N 410.496 0.463 30 20 HCED Cc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1C#N 431455507 IOUUMLZHUITRLC-UHFFFAOYSA-N 418.479 0.929 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)CC2 433655386 GUWTVNOMPVYCEA-SJORKVTESA-N 417.487 0.642 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434835469 CKJIEPFWMBBAKG-AWEZNQCLSA-N 411.480 0.735 30 20 HCED COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 434861376 MPQDLWDGCHHPIB-ROUUACIJSA-N 422.507 0.768 30 20 HCED CC(C)CN(C(=O)CN1CCO[C@@H](C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 436136643 XQEKFDJDRGVTPG-AWEZNQCLSA-N 406.487 0.400 30 20 HCED CN(CC(=O)N1CCC(N2CCCNC2=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 439601282 KPSCELQRWFSWJI-UHFFFAOYSA-N 419.507 0.585 30 20 HCED CNS(=O)(=O)CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 439833507 SWPDYJBVRKORIY-UHFFFAOYSA-N 402.480 0.487 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)C1=O 440278253 CWRHMTNVYLPRDV-IBGZPJMESA-N 413.522 0.618 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)C1=O 441579195 ZVNZOAFLXMJIMB-JTQLQIEISA-N 416.398 0.035 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)cc1 445183203 FVRFHSLVOBMWBZ-OAHLLOKOSA-N 402.495 0.845 30 20 HCED CCO[C@@H](CCN(C)C)CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460728374 QBHBYRBEXQVCIQ-INIZCTEOSA-N 413.482 0.859 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2CCN(CC#N)CC2)cc1 461711600 XJDAWFZNXQQELF-AWEZNQCLSA-N 421.523 0.664 30 20 HCED COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472212740 MVAPQMLTUYNJBZ-HOCLYGCPSA-N 409.512 0.784 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cn2)c1=O 474348992 IXNCHGSSIVDVPP-AWEZNQCLSA-N 400.504 0.677 30 20 HCED N#C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475195856 IFIOFKRZOBVKFJ-SUMWQHHRSA-N 420.491 0.891 30 20 HCED COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1C 475238660 UXDXBXBHFXPKRW-CJNGLKHVSA-N 410.434 0.794 30 20 HCED CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 479074655 WUPAWZXODMHJFH-HZPDHXFCSA-N 423.491 0.748 30 20 HCED COC1CCC(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 484973998 RCYMXEOXZJKKAO-UHFFFAOYSA-N 416.526 0.960 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCC)c(OC)c2)CC1 491112479 YDYGDQQEYAJHCG-UHFFFAOYSA-N 404.467 0.479 30 20 HCED CNC(=O)c1cc(Oc2ccccc2NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccn1 491390257 SLVQATAMQYGFDH-AWEZNQCLSA-N 409.402 0.923 30 20 HCED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500259333 SHPFXQIGQAMXTO-STQMWFEESA-N 410.224 0.784 30 20 HCED Cc1nsc(N2CCCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)n1 505026958 MMNRZGFMCRFSJW-UHFFFAOYSA-N 402.484 0.943 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c1 505159000 NFBFIBISYPOXOV-OALUTQOASA-N 408.462 0.997 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)n1 506762163 ORIHPMOEKANJRB-AAEUAGOBSA-N 410.500 0.282 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 508731546 WZRQLDGAFXTTML-AWEZNQCLSA-N 419.511 0.491 30 20 HCED COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 514321758 MZBYJQVBEAEXDZ-MRXNPFEDSA-N 417.485 0.573 30 20 HCED Cc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)cc1 514537564 JSIQWNKSMNDPOK-UHFFFAOYSA-N 407.499 0.969 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 515522563 KJWZEFKGJRYJEV-UHFFFAOYSA-N 422.532 0.958 30 20 HCED C=CCN(C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@H]1CCS(=O)(=O)C1 516252525 IVUVGNGCPGTHEB-KRWDZBQOSA-N 417.487 0.260 30 20 HCED N#Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc1 522110879 XZKOFUFCGDHHIP-UHFFFAOYSA-N 400.464 0.230 30 20 HCED CN(CC(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 524867835 WGGBIMBZHMMNFX-GDBMZVCRSA-N 413.521 0.651 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 539703194 VQKQYYYDOLMRPV-CYBMUJFWSA-N 410.452 0.414 30 20 HCED C=CCNC(=O)CNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 539722908 AENOMCHXMHQAFZ-UHFFFAOYSA-N 407.496 0.445 30 20 HCED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c[nH]1 539805142 CLSJKOOJDZREMG-UHFFFAOYSA-N 402.432 0.804 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)c1 540879727 CTRXQMSZFOVUJT-OAHLLOKOSA-N 409.508 0.860 30 20 HCED N#CCC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 543777956 QMPIMWSCSIKTPA-UHFFFAOYSA-N 420.539 0.869 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3OC)CC2)nn1 547414124 IIOPIZCCLCZRAA-UHFFFAOYSA-N 412.406 0.747 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCNS(C)(=O)=O)C1CC1 549740406 MEILVNHXZOPBDZ-UHFFFAOYSA-N 404.496 0.691 30 20 HCED C=CCN(C(=O)NCCNS(=O)(=O)CC)[C@H](C)c1cccc(-n2cnnn2)c1 557720970 FGXRHSCZFJVRAC-CQSZACIVSA-N 407.500 0.860 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCc3c(nnn3-c3ccccc3)C2)nn1CCC#N 560220836 NOZMCCAHCJRAPW-UHFFFAOYSA-N 404.434 1.209 30 20 HCED C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564070976 INGBVDJQNJWDKV-AYOQOUSVSA-N 411.506 0.574 30 20 HCED CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 567224835 BYROCRSSNSEHMZ-YOEHRIQHSA-N 414.462 0.970 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)n(CCC#N)n2)cc1 579416751 PKDMDXGJTOPHHB-UHFFFAOYSA-N 404.452 0.981 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCn4ccnc4C3)C2=O)cc1 580974779 WIESTARKLSIBND-WBVHZDCISA-N 406.446 0.498 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1cccc(C#N)c1 587716324 HEDNHMZWWMLOFT-AWEZNQCLSA-N 418.461 0.761 30 20 HCED C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608977821 PXVADBQEWUEVSO-CQSZACIVSA-N 412.537 0.840 30 20 HCED COCCN(CCC#N)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 609138798 ZWYYGNCWGATXHP-KRWDZBQOSA-N 410.452 0.301 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc(F)c2F)c1=O 609563905 VXWIOZYWOLNXRR-UHFFFAOYSA-N 407.467 0.803 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CCc1cccs1 610358455 QWFNSNCHNSMKST-UHFFFAOYSA-N 410.480 0.928 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCc3ccc(S(N)(=O)=O)cc32)CC1 611372623 HQUHMFSUGYRYCZ-GOSISDBHSA-N 405.524 0.389 30 20 HCED C=CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O 681558983 WTVNUYOMEJSRQX-CQSZACIVSA-N 404.466 0.015 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(=O)OC)C1 728539327 MHEPBIKYDJGIPC-LSDHHAIUSA-N 423.491 0.684 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 728589923 NLILNMGTZJFCRH-HNNXBMFYSA-N 418.519 0.040 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1 729365296 MTTMWVIAGJXBQW-CYBMUJFWSA-N 424.479 0.617 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 729946359 BWVNGQGEVZFNHE-GOSISDBHSA-N 404.379 0.918 30 20 HCED N#Cc1cnn(CCOC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1N 731773606 TXQRIKKSEZXINR-AWEZNQCLSA-N 409.402 0.969 30 20 HCED CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737268940 WHAOMHBPHWCOMV-IGCAKMCNSA-N 410.496 0.715 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 742634023 KMMIXVQUAOSRKO-UHFFFAOYSA-N 405.524 0.564 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)C1=O 742951428 KVLMABBYUYWSIX-UHFFFAOYSA-N 402.363 0.567 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 743205931 ZDFNBFVREJOEGT-UHFFFAOYSA-N 403.468 0.548 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 744089603 YOQSPXQRUFJCGT-MUIFIZLQSA-N 417.443 0.057 30 20 HCED C#CCCCC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 758010711 MDIJAYIPMFAZCC-UHFFFAOYSA-N 402.494 0.711 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnnn1CC(F)(F)F 758368858 QCIOATDNJGZLCM-UHFFFAOYSA-N 404.330 0.017 30 20 HCED N#CCc1ccc(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 758505829 ISMKDTJMRUSMHV-MRXNPFEDSA-N 411.505 0.027 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCCC2=O)CC1 763802806 QKDRZZKRIYIKOY-UHFFFAOYSA-N 404.492 0.729 30 20 HCED CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)cn1 766376889 DEZNLYJDGHYHPT-UHFFFAOYSA-N 413.438 0.615 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cn1 770460412 PKJPPIINCBDQLD-GFCCVEGCSA-N 406.445 0.885 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1cc[nH]n1 772597319 XLVGCRTWJGGRNF-SNVBAGLBSA-N 419.360 0.221 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)[C@H]1CCCO1 773059353 WUTUSNVGLVNHKV-ZIAGYGMSSA-N 406.551 0.689 30 20 HCED N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 774333472 DSYQXZLCNNMTTE-QEJZJMRPSA-N 412.414 0.978 30 20 HCED C#C[C@@H](C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 775384194 BFIPKRPZMCGTMG-CQSZACIVSA-N 404.492 0.665 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 776884224 CAPKAKGDRLLRRX-UHFFFAOYSA-N 423.944 0.951 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)ccc1N1CCOCC1 783293162 MHWFIQSHGMPUQV-UHFFFAOYSA-N 411.466 0.696 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 783547987 VCFSCMRFHUYLTD-PYUISTEWSA-N 419.503 0.507 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 785072355 CUHJSQGBDDIWHA-SFHVURJKSA-N 406.442 0.326 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)[C@H]1CCCO1 785641979 UQZKRMQDFPQYPR-QZTJIDSGSA-N 421.519 0.428 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccnc(N3CCCC3)c2)n1 786504919 FXGAEITZXAASHZ-UHFFFAOYSA-N 424.505 0.803 30 20 HCED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)n(C)n1 787775367 OZMXUHLDPWZKDV-MRXNPFEDSA-N 410.482 0.309 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 788421764 ZLBCACKSJFNMJX-OAHLLOKOSA-N 408.499 0.747 30 20 HCED Cn1c(CC#N)nn(CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1=S 794633289 LWCLVNFAXDMUBX-CYBMUJFWSA-N 412.475 0.972 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)NC(CC)CC)Oc2ccccc21 799285334 CPNWOMAVNRJSFB-QFBILLFUSA-N 415.490 0.976 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)ccc1F 804731889 XZPMWNANJHDYGC-UHFFFAOYSA-N 424.454 0.541 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2COc3ccccc3[C@@H]2O)n1 810414674 AFPFIPIVGZZHNX-KSSFIOAISA-N 404.386 0.688 30 20 HCED C#Cc1ccccc1CC(=O)OCCN1CCN(C(=O)c2ccc(=O)n(C)n2)CC1 810567818 PLIAVQIXPUBNGD-UHFFFAOYSA-N 408.458 0.305 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 904516265 BMJHFXVNPARMEB-ORAYPTAESA-N 414.470 0.722 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 904516266 BMJHFXVNPARMEB-YJYMSZOUSA-N 414.470 0.722 30 20 HCED COc1c(F)cc(CC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1S(N)(=O)=O 915547984 FANRGSMBTVBYQR-KRWDZBQOSA-N 413.427 0.376 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 1142055730 JRUQUXAPVFHVFE-UKRRQHHQSA-N 407.496 0.487 30 20 HCED COC(=O)C1(NS(=O)(=O)Cc2ccc(F)cc2C#N)CCS(=O)(=O)CC1 1189623763 KZLQWRXTGUQMPB-UHFFFAOYSA-N 404.441 0.237 30 20 HCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)no1 1304223004 YRMZBBQYWAEECX-IUODEOHRSA-N 423.499 0.694 30 20 HCED N#Cc1cccc(CNC(=O)CS(=O)(=O)Cc2nnnn2CC2CCOCC2)c1 1321990650 IYTRTELQPTWQGW-UHFFFAOYSA-N 418.479 0.203 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(CO)CCOCC3)CC2)cc1 1337872965 CCEDKVDAOZHLSC-UHFFFAOYSA-N 407.492 0.617 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 1347423789 HCHNBRJHEJVSPL-UHFFFAOYSA-N 408.480 0.014 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1 1519529609 KVVIWUVWDKJKDO-DOTOQJQBSA-N 416.507 0.955 30 20 HCED CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCn2cnc(C#N)n2)cc1 1525621058 SLJBAWXWPONQEX-OAHLLOKOSA-N 400.464 0.880 30 20 HCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1554930972 VPVILSLIKUTLNG-XJKSGUPXSA-N 420.495 0.674 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1561655566 MWXXARVYBLAJRF-OAHLLOKOSA-N 407.540 0.810 30 20 HCED CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1617714091 ZJZAQHRGAHOLAW-KRWDZBQOSA-N 407.475 0.597 30 20 HCED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1618506454 IOGIRUCEJSLHKX-MRXNPFEDSA-N 422.493 0.803 30 20 HCED C[C@@H](NC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCOCC1)c1ccccc1 1629007056 YQTSSSNDCIJPOV-OAHLLOKOSA-N 411.462 0.837 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1654261398 KIBRKTGBCHXPQF-ZACQAIPSSA-N 408.499 0.105 30 20 HCED CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1708531844 HBFJTEJOEAXNDW-WBVHZDCISA-N 401.515 0.827 30 20 HCED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1709138885 WDJUBFXOTFGKAR-INIZCTEOSA-N 415.523 0.868 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1741129287 LVZWWTRJTAIWDV-ZDUSSCGKSA-N 418.527 0.922 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1777847090 FAIIXUQTEYIBQL-ZSDSOXJFSA-N 400.479 0.941 30 20 HCED O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019613 BRCRVDKTBGYYSH-PNJIQADMSA-N 400.483 0.725 30 20 HCED Nc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cs1 1779065253 XMHPPFDENNJPKA-FQEVSTJZSA-N 418.519 0.867 30 20 HCED Cn1nc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1O 1779134168 CGSPMMFAWVMHQE-LKQKOTCASA-N 401.423 0.281 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)c1 1780597697 QHFNJLWKBQZAPN-HXUWFJFHSA-N 409.402 0.517 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1780598544 RVZFITIYLGRWOX-IBGZPJMESA-N 412.475 0.912 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cn(C)cn2)CCO3)c(C#N)c1 1781174133 MJSFRRBGXANWBI-JOCHJYFZSA-N 423.473 0.987 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781350881 FIZNDQGHYMZWFN-QRWLVFNGSA-N 424.498 0.396 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(Cl)c(O)cc3O)C2)C1 1781473096 SUZKABBLUXZCOP-GOSISDBHSA-N 408.794 0.283 30 20 HCED C[C@H](C#N)c1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C3)c1 1782972618 VJLFPONICWGEQE-TWSMVNEUSA-N 413.522 0.727 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783558748 XSUIOZZEQFZPNP-JLTOFOAXSA-N 423.466 0.065 30 20 HCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cc1 1783901157 VPTVUZVSCOSOJD-FOIQADDNSA-N 405.520 0.873 30 20 HCED C#CCCCC(=O)N1CC[C@]2(CN(C(=O)CCNC(=O)c3ccc[nH]3)CCO2)C1 1783903181 HSAPFIKKRYOUGJ-OAQYLSRUSA-N 400.479 0.768 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)c1 1784393352 PSRFBTIODKVHSC-IBGZPJMESA-N 412.475 0.912 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCS(C)(=O)=O)C2)C1 1784746895 LCYUXVGQDVDDLC-YOEHRIQHSA-N 403.501 0.052 30 20 HCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1785554173 CXGNCLAVJAYZKD-OPAMFIHVSA-N 410.474 0.939 30 20 HCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(S(C)(=O)=O)c3)[C@H]2C1 1785588931 MLJKUZOMIFEOTO-WBAXXEDZSA-N 419.503 0.492 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(C)C)[C@H]2C1 1786956331 LDCHIGFPNNQMQC-BZSNNMDCSA-N 409.527 0.864 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C[C@@H]21 1789956050 STMGGGIZTLEWEZ-RFGFWPKPSA-N 422.442 0.712 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1793367133 DYBUPXKTOHPKTA-PHXBYCTMSA-N 418.515 0.308 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(OCC)cn1 1794645278 XUXGEHAVIFJWIF-FYVVFRBKSA-N 413.478 0.986 30 20 HCED O=C(O)CSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@@H]1CCCCO1 1798500001 JXEFMTCPJNCFEW-ZVZRSXPLSA-N 413.496 0.971 30 20 HCED N#Cc1ccc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2cncn2)C3)c1 1799748600 LZIJALZXUCHQBK-CCWDJLKJSA-N 412.425 0.582 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2cccc(F)c12 1800075156 PYCKCKUAZWQUMQ-ZUMXRPEOSA-N 414.437 0.944 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc(Cl)cc1Cl)C2 1800774759 OTVSCEXDIAGWFB-KEODLESXSA-N 412.229 0.680 30 20 HCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccc(O)nn1)C2 1801167709 FEWUUZYHKFFVRN-VPTLXERWSA-N 400.479 0.898 30 20 HCED 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C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)CCO2 1838828268 LGEQXXOYSIMSLB-IBGZPJMESA-N 404.423 0.796 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccn4)C3)C2)cc1 1839362271 IXSQMRZFJCMMHV-QFIPXVFZSA-N 421.457 0.926 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)C(=O)OC(C)(C)C)C2)C1 1839809598 AQHPZOGZTAYSJT-OAQYLSRUSA-N 408.495 0.834 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1839887393 AJJPYTODRYXMKP-INIZCTEOSA-N 420.482 0.671 30 20 HCED Cc1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840041650 ZNBNKZKHJIMJLP-OAQYLSRUSA-N 400.431 0.082 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840161162 GLCFASMBMWAULO-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@](C)(O)CC(=O)O)CCO2)C1 1840181606 FTMQEMOVBOQVDU-YSSFQJQWSA-N 412.483 0.271 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840211176 XDVPMXLQKUTFAC-BTYIYWSLSA-N 419.453 0.731 30 20 HCED 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CC(C)(C)C(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 25902797 JINRUSOCEATJCL-UHFFFAOYSA-N 406.508 0.944 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 26776561 NVLRAWCKMJYPIB-KBPBESRZSA-N 409.468 0.942 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 43610776 RVQJUTXZSDGUIV-GFCCVEGCSA-N 400.526 0.891 30 20 HCED CC(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 43879629 PIQGSGDVYUAAKG-UHFFFAOYSA-N 419.507 0.585 30 20 HCED CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C 54389167 AFLRGWAOPRNHGI-LBPRGKRZSA-N 412.368 0.851 30 20 HCED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN([C@@H](C#N)c2ccccc2)CC1 217134613 PMHIOHULKRPDQJ-NEWSRXKRSA-N 404.536 0.903 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409530227 PADQPHWMRAFQNC-KRWDZBQOSA-N 421.523 0.274 30 20 HCED CCOC(=O)c1csc([C@H]2CCCN2S(=O)(=O)N2CCO[C@H](C#N)C2)n1 410402063 OPNLRYFGQSNVIC-DGCLKSJQSA-N 400.482 0.926 30 20 HCED 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20 HCED C[C@H](CS(C)(=O)=O)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 503475863 MRRWKIOPSQKCIN-CYBMUJFWSA-N 404.496 0.991 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 506604009 QYEJMMLVQNAJFD-UHFFFAOYSA-N 417.441 0.750 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 511233582 JYCBUPZEFPFDNU-KBPBESRZSA-N 401.510 0.953 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)s1 514914138 RHQYZFWIYYWKJI-UHFFFAOYSA-N 401.513 0.977 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cccc1-n1cnnn1 516013698 BXLQRYZTMITDCD-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)NCCOC)cc1)[C@H]1CCS(=O)(=O)C1 516548676 IYDVOEUZESISRG-HNNXBMFYSA-N 416.521 0.427 30 20 HCED N#CC1(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 522345656 GDHRHUHCSGBOET-UHFFFAOYSA-N 407.492 0.829 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 527338230 QYVJGSVDUANHJV-UHFFFAOYSA-N 413.463 0.937 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N[C@](C)(C#N)CCc2ccccc2)n(C)c1=O 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C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 569292378 LXVNWSZKZQAUMH-NDEPHWFRSA-N 406.483 0.763 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 575355378 YVYFHYWYBZCRBM-ROUUACIJSA-N 409.494 0.816 30 20 HCED CCCCNC(=O)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 575911607 NPJQYBZDULFSPD-INIZCTEOSA-N 406.508 0.991 30 20 HCED C[C@]1(CCCO)CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577415234 QIIARBITKZSGDC-XMSQKQJNSA-N 412.490 0.929 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1C#N 610937082 XLOSMSGTXHVPOX-UHFFFAOYSA-N 408.480 0.824 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCC2(N3CCOCC3)CC(OCC)C2)CC1 672356853 SALZZQZZKBWYQX-UHFFFAOYSA-N 422.570 0.529 30 20 HCED COCCS(=O)(=O)CC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 726996962 BESISHOBOMOHJV-UHFFFAOYSA-N 406.420 0.287 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 728594286 OSSIJSZFRWOMID-UHFFFAOYSA-N 407.478 0.790 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)c2ccccc2O)CC1 732466142 LMIQLUJSWWIRQM-ZCXUNETKSA-N 413.434 0.386 30 20 HCED COc1ccc(OC)c([C@H](O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732466532 OOBZHFQIIHGUNO-ZDBRSUKYSA-N 404.423 0.563 30 20 HCED COc1ccccc1N1C[C@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910032 JPESOFHFEDUCCJ-KGLIPLIRSA-N 419.459 0.014 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 733800598 BFQICIWVCPZQRL-KRWDZBQOSA-N 423.539 0.744 30 20 HCED COC(=O)COc1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 734333173 INBBTVMNKKPXDJ-UHFFFAOYSA-N 417.443 0.593 30 20 HCED COCCN1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742585129 GLTIHDKQNBBAFZ-CQSZACIVSA-N 408.524 0.731 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 743942787 IVGHLYJMPSIGLO-UHFFFAOYSA-N 407.430 0.628 30 20 HCED N#Cc1cc(COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)ccn1 747065870 VKXZALHNDLRABJ-CYBMUJFWSA-N 400.416 0.697 30 20 HCED NC(=NO[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(CN2CCOCC2)cc1 747832142 PEZAQKSXMMAFMN-IBGZPJMESA-N 402.495 0.936 30 20 HCED COC(=O)c1cccc(COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1C#N 756162272 IZZQWVHUTHCPIE-ZIAGYGMSSA-N 420.443 0.424 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC(F)F)cc2)c1=O 758076452 NNGKRQXMVSJLSW-UHFFFAOYSA-N 415.421 0.950 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758364522 YVMZAKBUCLEIRQ-KGLIPLIRSA-N 417.532 0.716 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1OC 760118817 UBUPGMZFAHFVBB-KGLIPLIRSA-N 401.423 0.822 30 20 HCED C[C@H]1CCS(=O)(=O)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 762507683 LLGNNCWRKBSHCQ-ZDUSSCGKSA-N 413.521 0.541 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 763399385 BJSXVDYKKIJGQN-JKSUJKDBSA-N 409.450 0.365 30 20 HCED C#C[C@@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 769962131 YBSXIWJXVHJVRV-OAHLLOKOSA-N 409.508 0.490 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)O)cc1 776685257 BOYCSZBEICYRQD-QGZVFWFLSA-N 420.418 0.999 30 20 HCED CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783023087 FQMSGQIFXHIXQU-CQSZACIVSA-N 407.452 0.944 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(CCO)C2)c1 785207681 VWDPAFHMDXVRHP-CAPFRKAQSA-N 408.480 0.279 30 20 HCED C#C[C@@H](C)NC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786429594 ZVYPIRNQYCDXJQ-CYBMUJFWSA-N 402.455 0.610 30 20 HCED CN(CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)c1ccc(F)cc1 798045424 IYUXWAVJGZKKKB-ZCXUNETKSA-N 424.454 0.479 30 20 HCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2S(=O)(=O)NC)c1 799763764 CCCHIWUIXDDSER-UHFFFAOYSA-N 421.500 0.835 30 20 HCED C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC)CC1 802395447 XPNJRKQFTRTCPX-UHFFFAOYSA-N 407.478 0.594 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCn2cnc(C#N)n2)c1 806218676 XGAKFYMVLHCCLF-KQWNVCNZSA-N 416.467 0.784 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1)[C@@H]1CCCO1 809309066 LDWOGVCUJLQFTG-JYJNAYRXSA-N 419.482 0.108 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cncn2C)C1=O 809943590 JNNRLBVQMJXFQR-AWEZNQCLSA-N 400.464 0.787 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810379770 LFIHMDPMZAVUJE-CQSZACIVSA-N 408.480 0.962 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)cn1 811476204 ZVBYCPFMIJDVIM-UHFFFAOYSA-N 403.439 0.719 30 20 HCED C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)C)CC1 812227366 ALQDBUQSSQFXJB-CQSZACIVSA-N 410.544 0.510 30 20 HCED C#CCONC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 812783551 UREHXTHLPCANEM-UZGISAJGSA-N 400.478 0.061 30 20 HCED COc1ccc(CN2C[C@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)cc1 813978223 BSKZJCJDJACYOQ-OAHLLOKOSA-N 414.443 0.815 30 20 HCED Cc1c(Br)cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c(=O)n1C 813980761 LSWOLPNLQCCUHF-UHFFFAOYSA-N 411.237 0.842 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914654548 VOHAOJBSJIJBCK-MOROJQBDSA-N 413.496 0.008 30 20 HCED C#CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)[C@H]1CCc2ccccc21 917117985 YMVPNPXWFYIYON-CTNGQTDRSA-N 415.559 0.940 30 20 HCED N#Cc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cn2)c(C(F)(F)F)c1 917737221 OJKYHWKEPAIDOH-UHFFFAOYSA-N 421.382 0.925 30 20 HCED NC(=O)Cn1ccc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 918396419 HOBBDBNDBFEIAB-UHFFFAOYSA-N 418.479 0.606 30 20 HCED COC(=O)CN(CCC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1137270133 NATXPXPSFVWAJX-UHFFFAOYSA-N 407.370 0.791 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2nn[nH]n2)C1 1175552733 KSSNHMNNJMGHKF-OCCSQVGLSA-N 417.495 0.813 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cn1 1314899749 YCLHXKVBOHTVTB-OAHLLOKOSA-N 405.484 0.232 30 20 HCED N#Cc1ccc(-c2nnc(CN[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)o2)cc1 1319609320 WZMNKSNBSZQNRB-HZPDHXFCSA-N 403.464 0.196 30 20 HCED C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F 1319795423 DCDMHYYALBFYGM-VHSXEESVSA-N 406.386 0.408 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1347063352 JIAXWYOOHGNRLI-CQSZACIVSA-N 416.463 0.631 30 20 HCED COc1ccccc1N1CC[C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1477738767 QYYTUGKMWZTBOE-AWEZNQCLSA-N 412.450 0.655 30 20 HCED CCOC1CC(Cn2c(CC)nnc2N2CCO[C@H](C#N)C2)(N2CCOCC2)C1 1502939007 LLQHNNDVTBWZNG-OHTSDLOESA-N 404.515 0.839 30 20 HCED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1512669357 CVDGAXQBJMHOTL-KEYYUXOJSA-N 414.532 0.368 30 20 HCED Cn1ccnc1C(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nccn1C 1529284870 CWXRGVPVMSEFTK-UHFFFAOYSA-N 413.463 0.098 30 20 HCED Cn1ccc(Nc2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1554343633 YJPIQAZKSYVJPG-GOSISDBHSA-N 413.463 0.843 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1566235337 PYIHERYWKREPSY-NVXWUHKLSA-N 420.897 0.716 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCS(=O)(=O)C3CCOCC3)C2)nc1 1681278814 LONKPVHPNBMWAA-HNNXBMFYSA-N 408.480 0.710 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705686216 SKAYUUPKDSPFDC-MNOVXSKESA-N 418.317 0.761 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)CC1 1749097868 JBXJQLZKASBFJD-ZDUSSCGKSA-N 413.320 0.906 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778781709 OZFUUXSWXUMNHE-UZLBHIALSA-N 409.483 0.649 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1778965923 XGMRZFSLBNCLQP-UZLBHIALSA-N 411.568 0.438 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060544 FRCXWRLDYFAFEM-XMSQKQJNSA-N 402.491 0.553 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107152 SXHHJYYEISRQNZ-VDQRSBIWSA-N 409.483 0.961 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779522579 HXFOHDBGAHTQBM-SFHVURJKSA-N 406.464 0.538 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1781246295 WEMKWYHMODUZQU-FSEUQFBXSA-N 405.476 0.451 30 20 HCED CC(=O)O[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)C(C)C 1782010062 BWHWJVOZMDRKJY-MOXGXCLJSA-N 408.451 0.176 30 20 HCED 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C=C[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 426859674 RQOAZQKXNCXNSW-BFVZDQMLSA-N 409.291 0.780 30 20 HCED N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](N4CCCS4(=O)=O)C3)C2=O)cc1 432517393 GBMQTBRBTCKWMT-SJORKVTESA-N 402.476 0.690 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434597475 QVDWZXFFOWALFT-UHFFFAOYSA-N 416.482 0.250 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435840976 VPYOYWLTCJWNNB-OAHLLOKOSA-N 408.480 0.824 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)o2)c1=O 440383878 OGUQQBIJZUBMBG-UHFFFAOYSA-N 414.512 0.863 30 20 HCED N#Cc1cc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)ccc1OC(F)(F)F 442060206 QRXZCHBPEWVBNJ-UHFFFAOYSA-N 421.401 0.895 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)c2)c1 442270904 LZTXYKMICABRLL-UXHICEINSA-N 422.437 0.766 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCSC 443550444 JEXKRTMPWYURJH-UHFFFAOYSA-N 400.529 0.782 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)NC)cc1 446763803 ZFTFDIQCYIWJOU-UHFFFAOYSA-N 410.496 0.320 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 460685433 AJSQEROXDHPFMI-UAGQMJEPSA-N 406.446 1.460 30 20 HCED Cc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3c(C)noc3C)CC2)c1C#N 461191625 HSCQNXWUYZZISH-UHFFFAOYSA-N 424.508 0.555 30 20 HCED CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471053967 WRVYXYVNSXWAEF-UHFFFAOYSA-N 411.462 0.803 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCCS(=O)(=O)N3CCCC3)CC2)c1C#N 472251475 YVIDYWZKXQQIFQ-UHFFFAOYSA-N 408.528 0.455 30 20 HCED CN(CC(=O)NCCCCN1CCC[C@H]1CO)S(=O)(=O)c1ccc(C#N)cc1 476401775 HCCKIEXVRJWACX-KRWDZBQOSA-N 408.524 0.532 30 20 HCED CN(CC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O)S(=O)(=O)c1ccc(C#N)cc1 480826763 GAJCOCJJZIPLLJ-ZDUSSCGKSA-N 418.397 0.458 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2sccc2OC)c1=O 480934246 KGLMTJJVZDWLKO-UHFFFAOYSA-N 407.517 0.656 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@]2(CCOC2)O1 485105547 IEMSLHSYAVPDRU-HXUWFJFHSA-N 410.434 0.874 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(CCSC)c1=O 488992734 LNYPVHAAGYNZKF-ZDUSSCGKSA-N 418.544 0.598 30 20 HCED COCc1cnc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 500433181 GSDYSOHWLQSBCZ-UHFFFAOYSA-N 403.468 0.490 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccn2)c1=O 501761320 DQNZCLDIULTSMM-UHFFFAOYSA-N 414.487 0.286 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)cc1 505013400 KCVCGTDXFLHXCW-INIZCTEOSA-N 405.480 0.712 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC(=O)OC)CC1 508496357 YTUVCSDDHDXQAQ-UHFFFAOYSA-N 409.454 0.402 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCCOC)n(CC(C)C)c1=O 512791043 XKJIJIAUVXJCOT-UHFFFAOYSA-N 417.535 0.438 30 20 HCED CCCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CC(=O)N(C)C1=O 513947391 XAOZTOBHEVVTRV-AWEZNQCLSA-N 406.464 0.406 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(NS(=O)(=O)CC)CC1 516735654 QMEADLCHWJCEQA-UHFFFAOYSA-N 408.480 0.826 30 20 HCED C=CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 518231008 VWWMPIIGPPOKMX-CQSZACIVSA-N 409.454 0.731 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 523479605 OTIIAMQDLGBVQH-CQSZACIVSA-N 408.480 0.169 30 20 HCED Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n(CCC#N)n1 531646003 ZKDZFIRIQFXMRH-GFCCVEGCSA-N 404.452 0.510 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C1CCN(C)CC1 531938763 NYBAUYYVIVEYKC-UHFFFAOYSA-N 418.544 0.496 30 20 HCED C=C[C@H](CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 535406449 RIWGYUDEYQVHAL-IEBWSBKVSA-N 419.547 0.794 30 20 HCED CCOCCCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 540297702 SDJCLMLLSRMERO-HXUWFJFHSA-N 421.586 0.934 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCOCC1 541379682 BSONOHZTKHSSIW-SFHVURJKSA-N 418.494 0.995 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(Cc3nc(-c4ccccc4)nn3C)no2)C1=O 545136978 PEGUSTWNRULMGO-UHFFFAOYSA-N 407.390 0.933 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(c3cccc(OCC)n3)CC2)CC1 553329445 HLIRMVUVFBZZMY-UHFFFAOYSA-N 401.511 0.896 30 20 HCED CN(C)S(=O)(=O)c1ccc(NCCOc2ccc(C#N)cc2)c(S(N)(=O)=O)c1 553413208 YQLFSQFATGGMGW-UHFFFAOYSA-N 424.504 0.947 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 553712963 YZAGVIBXEDZKKC-IRXDYDNUSA-N 417.485 0.619 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(N3CCOCC3)CCCCC2)c1 559610407 GBVKTPBFFWVUTG-UHFFFAOYSA-N 420.535 0.988 30 20 HCED CS(=O)(=O)[C@H]1CCCCN(CC#CCN2CCCC[C@H](S(C)(=O)=O)C2)C1 560197355 RJJMXCLTWGTINI-ROUUACIJSA-N 404.598 0.788 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](N3CCNC3=O)C2)n1 565452625 INPACWBCRVISKI-ZDUSSCGKSA-N 408.422 0.094 30 20 HCED C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 567019331 CETAXBZDDHQFLV-QFBILLFUSA-N 400.479 0.513 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CCN1S(=O)(=O)c1ccc(C#N)o1 572350259 WYDSREQZUILKCD-NSHDSACASA-N 410.433 0.700 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 579174441 WJVVFHFDCOMRFE-UHFFFAOYSA-N 423.473 0.893 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCN2Cc3ccccc3C2)CC1 585776367 VDXIIPIWKHBQMA-UHFFFAOYSA-N 404.474 0.734 30 20 HCED COC[C@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCCO1 587659468 OXWWHLMGOYQHGQ-DLBZAZTESA-N 401.467 0.348 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@H]3CCO[C@H](C)C3)CC2)c1C#N 588819064 KJDSYXIKFDMUSM-ZBFHGGJFSA-N 402.499 0.570 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 588951059 PZAWQMNOCKLUFS-MRXNPFEDSA-N 421.860 0.805 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCCSC 590996109 RIGMISDKJMHDNQ-UHFFFAOYSA-N 418.544 0.324 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 608555615 YARJHXIRSJRIMO-GUYCJALGSA-N 424.461 0.585 30 20 HCED C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C(=O)N1c1cnn(C)c1 610309101 YASAVRCAEICJOD-PXAZEXFGSA-N 404.434 0.983 30 20 HCED CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 611013402 ALAGBLXXGVCBCS-UHFFFAOYSA-N 424.460 0.994 30 20 HCED N#C[C@]1(F)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 615823357 IADXGUJRTKZAEZ-DUVNUKRYSA-N 401.847 0.928 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O 726044014 YKSUBJLCEYLBLW-UHFFFAOYSA-N 424.753 0.707 30 20 HCED CNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726400859 KTBLPSKINUJEKN-CYBMUJFWSA-N 403.464 0.132 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1 728530464 GQPSBVXVFDRKAF-UHFFFAOYSA-N 402.520 0.307 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910634 RKFOTSYSCHPAIZ-OAHLLOKOSA-N 419.459 0.692 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Oc1cccc(C(=O)NCC(N)=O)c1 734714282 LLINVYIDFGAGJL-UHFFFAOYSA-N 420.429 0.971 30 20 HCED CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1F 741452418 HPJUFEKPLJTFFV-HNNXBMFYSA-N 423.514 0.961 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2scnc2C)c1=O 743728627 MVKNBNFSMPGIHE-UHFFFAOYSA-N 418.569 0.939 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1Cl 750396533 ZUIYZPLGLLMHMJ-NSHDSACASA-N 404.814 0.989 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)cc1C#N 752377453 BNWMKSJAJPHJPF-UHFFFAOYSA-N 411.440 0.121 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)CC1 752958495 FQEIDMMWFKPQGU-SREVYHEPSA-N 408.462 0.341 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(F)cc2C)c1=O 758069248 OCIDFPKWQGZQGJ-AWEZNQCLSA-N 413.474 0.645 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(C3CC3)c2C)c1=O 758088305 DPJPZRKUTGRKJO-UHFFFAOYSA-N 424.526 0.562 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)NCCS(=O)(=O)N3CCOCC3)CCO2)c1 761673856 DHKHAMAOPRAVST-QGZVFWFLSA-N 408.480 0.303 30 20 HCED COc1ncc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C(N)=O 762538385 YCDYLNQTEVJPKL-UHFFFAOYSA-N 417.447 0.647 30 20 HCED Cn1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 764121823 OFYHNCRQHRERIN-UHFFFAOYSA-N 416.459 0.587 30 20 HCED C[C@@H]1CN(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 767630561 NKRDWZWLRSPYFW-MGPQQGTHSA-N 409.464 0.404 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CC(=O)N(C)C1=O 770531789 BJBRRCIRFNTMKA-LBPRGKRZSA-N 407.452 0.209 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 771471397 POAFYJISZKVKJM-OLZOCXBDSA-N 409.468 0.479 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOCC)n(CCC)c2=O)cn1 772275255 CRHHPNWASOEMQT-UHFFFAOYSA-N 415.519 0.663 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 774904726 VAUBTHRVPVOHDC-ZDUSSCGKSA-N 424.545 0.043 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 776144259 YULLPILRHNDIBD-QGZVFWFLSA-N 410.427 0.588 30 20 HCED CSC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 789202912 VGFQTBXKKVULOA-UHFFFAOYSA-N 423.516 0.830 30 20 HCED Cn1c(CC#N)nn(CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1=S 794631504 FJUZXGXDDYNDDW-UHFFFAOYSA-N 415.527 0.423 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795839157 ZQFMHVDGSAEFIW-MRXNPFEDSA-N 403.357 0.923 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H]3NC(=O)OC[C@H]3C2)CC1 799181009 SQSJYIZARKMERM-OWCLPIDISA-N 403.508 0.887 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)CC1 804898302 ILSCMCRJQYHZGH-WMZOPIPTSA-N 403.527 0.849 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C(=O)OC(C)(C)C 805061800 VKRVFNJSMWKNDN-ZBFHGGJFSA-N 407.515 0.995 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cnccc3C#N)C2=O)cc1 805717404 ZLKNCZAFRNZNTI-FQEVSTJZSA-N 423.385 0.617 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C)[C@H]1CCCO1 809308816 KKMUSPXPOMUKSS-AYOQOUSVSA-N 413.474 0.807 30 20 HCED C/N=C(/NCCCN1CCN(C)C[C@@H]1c1ccccc1)NCCN1CCOCC1 849058516 DFOXOZDMRINGFB-OAQYLSRUSA-N 402.587 0.862 30 20 HCED CCn1c(CCC(=O)[C@H](C#N)C(=O)NC)nc2cc(S(=O)(=O)N(C)C)ccc21 917002635 QVUVGWMGKQTTFJ-ZDUSSCGKSA-N 405.480 0.694 30 20 HCED CCN1CCN(CCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 920447546 KQUOVYAXUCQUKN-UHFFFAOYSA-N 421.567 0.649 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc(C(C)C)n2)c1=O 1115870411 IRSUHJPBMKRQAQ-UHFFFAOYSA-N 418.544 0.918 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(OCCO)CC3)CC2)cc1 1116600214 KLCQULCPUAWPMD-UHFFFAOYSA-N 421.519 0.959 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c1C#N 1154387068 PKQHVCWTRPEQEG-STQMWFEESA-N 419.429 0.472 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](NC2CCOCC2)C1 1176467279 OREYKTLNCXNRGV-INIZCTEOSA-N 420.535 0.875 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCCC1 1303412406 XPTQLUUMRJGUNM-CQSZACIVSA-N 424.527 0.502 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1nc(-c2ncccn2)no1 1319240737 RJHWBRAJYYTYGT-CYBMUJFWSA-N 405.422 0.858 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1c(Br)cccc1C#N)C2 1458319135 LMDPEMCRBLNCOD-UHFFFAOYSA-N 405.256 0.787 30 20 HCED CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 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Cn1cccc1C(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840481120 DNKWIUZSIRPRCR-FQEVSTJZSA-N 402.451 0.214 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840535807 BFVJXLRSOYYIGW-SZSKVCQJSA-N 405.451 0.191 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)N1C[C@@H]2C[C@H]2C1 1840813956 HIMXTJXPGRGNPW-MSQSPTIYSA-N 416.522 0.477 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](O)N1CCOCC1 1847476432 AROVKFVMTYAOLR-CMKODMSKSA-N 417.893 0.544 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847641350 MJXDBRYPYXDMSJ-IKGGRYGDSA-N 405.495 0.877 30 20 HCED C=CCOc1ccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC 105342343 UTZLTBWPWFBNIG-UHFFFAOYSA-N 417.462 0.403 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409528585 IINWSRPGRKUBMO-KRWDZBQOSA-N 421.523 0.329 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 410104341 JKKMTPVWWNLBES-SUMWQHHRSA-N 422.507 0.557 30 20 HCED Cn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1 428077424 XHVLMDYTHIXUJS-PTFIGZPYSA-N 409.449 0.694 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1=O 428379547 WMDKAJRFJFCWSI-LLVKDONJSA-N 406.445 0.885 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 439275317 PNWHHFVILXIYRJ-CQSZACIVSA-N 419.429 0.535 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1C 440401593 WJNMNBGXGDHFJP-UHFFFAOYSA-N 415.515 0.639 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 440996943 ICLQSSROJFJHOC-KRWDZBQOSA-N 419.482 0.084 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 462183154 RXUPZXLDMZGKIR-UHFFFAOYSA-N 410.463 0.655 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 467141251 IHRRWNHIPWMPAS-VYDXJSESSA-N 422.445 1.186 30 20 HCED CC(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)C(=O)N(C)Cc1nnc2n1CCC2 471011556 JFUZXDRHMNCWAR-QUCCMNQESA-N 401.515 0.605 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1 471669220 PCQKYIYQVPQMTK-IBGZPJMESA-N 410.522 0.925 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)c1C#N 472110227 IQQUSJYMDIEDJU-UHFFFAOYSA-N 424.509 0.864 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 472161410 WLXQJUXRPNUQEX-UHFFFAOYSA-N 417.495 0.008 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475826852 BOMFNKLGTWRJAR-QGZVFWFLSA-N 404.492 0.447 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 476280443 CQFQGCIKBJAXJD-MOPGFXCFSA-N 400.479 0.201 30 20 HCED CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 476690729 ZRPNYHHHYYUDMZ-KRWDZBQOSA-N 418.523 0.949 30 20 HCED COCCOC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 480002954 DGEXKWBIOWETDI-UHFFFAOYSA-N 407.492 0.833 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)C(N)=O 481146197 VBXKDHUYFOUKCA-CXAGYDPISA-N 400.460 0.438 30 20 HCED CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 481256988 WGTZEBQRUVHPSI-GDBMZVCRSA-N 406.508 0.990 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 482399789 CPYALBNLWXHPAL-WBMJQRKESA-N 418.500 0.986 30 20 HCED CCN(C[C@H](C)C#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 484260501 YISAKKUQEAZEAE-GDBMZVCRSA-N 415.537 0.776 30 20 HCED Cc1ncc(S(=O)(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)cc1C#N 489608296 UIASKEWLJPIWHA-UHFFFAOYSA-N 403.468 0.033 30 20 HCED CN1C(=O)C(=O)N(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 498051797 FNKWHRSPARNHCI-UHFFFAOYSA-N 406.402 0.176 30 20 HCED CN(C)c1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 501574622 RFSGQMZNMPJIHB-UHFFFAOYSA-N 415.479 0.953 30 20 HCED CS(=O)(=O)Nc1cncc(C(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 502593733 FEQFXRNGADZQMC-BFUOFWGJSA-N 411.443 0.939 30 20 HCED COC(=O)Cn1cc(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)nn1 517792074 MIMRBARDNBFQBY-UHFFFAOYSA-N 404.456 0.120 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCN(c3ccccc3OC)C2)C1=O 520508698 PHNHLMCHYBIHCO-CQSZACIVSA-N 400.435 0.615 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 524560626 RPUGVWONKAUCTC-UHFFFAOYSA-N 422.445 0.365 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC 538841689 RJKRLTIIKOBZCP-UHFFFAOYSA-N 416.459 0.876 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)nc1 550302650 YPSNRSNVCXTQBQ-UHFFFAOYSA-N 413.459 0.815 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CCC[C@H](C(N)=O)C2)cc1N1CCC[C@H](C(N)=O)C1 550341770 OTDZAZXCUHHBIN-STQMWFEESA-N 400.439 0.870 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCSc2ccc(Cl)cc2)CC1 550452209 MMAKVPULGXXGJN-UHFFFAOYSA-N 424.954 0.995 30 20 HCED N#Cc1ncn(CCNC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)n1 553561035 PDHJTRPNTYNLSJ-UHFFFAOYSA-N 402.503 0.173 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)NCC(=O)NCC#N)s1 557839569 ZLHWRDAGTHXRSU-UHFFFAOYSA-N 401.514 0.260 30 20 HCED CCNC(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 567457009 SZZBUNKYNSHCNU-QGZVFWFLSA-N 423.477 1.044 30 20 HCED CN1C(=O)COc2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc21 569975148 LAOVJVKXWFWACY-UHFFFAOYSA-N 400.416 0.830 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1Cl 619768984 GVEYQSLCJLADFC-UHFFFAOYSA-N 419.869 0.424 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 728570570 FLMPTKKSRYGARR-QGZVFWFLSA-N 416.522 0.418 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)cc1 731649269 HALDTGOCKOZDRR-UHFFFAOYSA-N 413.521 0.047 30 20 HCED CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910115 MKMLPRHPJFDHIJ-MSOLQXFVSA-N 415.471 0.916 30 20 HCED C#CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1CCOc2ccc(Br)cc21 733180284 UUPMIAPOZOQFBH-HNNXBMFYSA-N 422.279 0.987 30 20 HCED CC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 739124839 WVUSQBGPWDAZKR-IQQDNESTSA-N 410.496 0.979 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 741343377 LPHKKSJCVMWLIH-PHODEOQFSA-N 422.438 0.135 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755621866 UERLQHSVDXEXSA-UHFFFAOYSA-N 413.547 0.982 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 758989313 ISOWNWKOSFZJAB-OAHLLOKOSA-N 406.280 0.819 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)CC[C@H]2C)ccc1F 762508133 MKKOITRQNMGIIK-GFCCVEGCSA-N 404.485 0.939 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O 763459220 YUMYHLUUQPSITF-ZDUSSCGKSA-N 421.544 0.411 30 20 HCED C[C@@H]1CO[C@@H](CO)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 764707303 HDJBSHCFZOWWEQ-HUUCEWRRSA-N 409.508 0.894 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(C)c2=O)cn1 764982284 VIXYDTUYQJKUDA-UHFFFAOYSA-N 408.483 0.984 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(I)n1 769824126 AJTZZWQQNSKVEC-UHFFFAOYSA-N 419.175 0.863 30 20 HCED N#Cc1ccccc1OCC(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 771370777 OKUSUTPEZNSZJT-UHFFFAOYSA-N 423.834 0.960 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n(CCC#N)n1 773861566 CIKSCWQSLGDVAQ-AWEZNQCLSA-N 420.470 0.796 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCCCO)CC2)CC1 775989726 PKZYIURLQBOWNL-SFHVURJKSA-N 405.568 0.847 30 20 HCED Cc1nnc(S)n1CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 781541098 OUWDIHPJAMJDQP-UHFFFAOYSA-N 414.426 0.827 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 783296116 FQZNDIUVHCALSZ-UHFFFAOYSA-N 416.588 0.713 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 783617082 YINVHLVFALXPMO-UHFFFAOYSA-N 402.494 0.507 30 20 HCED COC[C@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 785122302 CUWSVINNUKFGOS-KBPBESRZSA-N 402.856 0.955 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(-n4ccnc4)nc3)CC2)n1 785987091 GUBFATLMQTYGPP-UHFFFAOYSA-N 416.445 0.499 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2cccc(O)c2)CC1)c1cc[nH]n1 789993288 UFXVJRPULDMFNX-UHFFFAOYSA-N 415.450 0.744 30 20 HCED COc1cc(OC)c2c(c1)C(=O)N(Cc1cc(O)n3ncc(C#N)c3n1)S2(=O)=O 790031895 NNIFEHQOKNMASJ-UHFFFAOYSA-N 415.387 0.668 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 800651103 WCFNMLZIJHTSDI-KRWDZBQOSA-N 405.520 0.783 30 20 HCED CCc1oc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)cc1C(=O)OC 800848110 OWHIGEOJXHJCMO-UHFFFAOYSA-N 410.411 0.915 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 800892069 OZMKMPOGNHXVQU-OAHLLOKOSA-N 409.512 0.872 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccncc1 805816395 ZHZKBRBBTZBYCS-IRXDYDNUSA-N 406.508 0.842 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CCO)CC2)c1 815773306 JMAOIOWOCOGYTG-RCCKNPSSSA-N 408.480 0.469 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1F 838690577 PIXVCZNEEQGZAK-UHFFFAOYSA-N 401.398 0.160 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)cc1 914879192 BALFBWSBMNMDTM-SFHVURJKSA-N 405.520 0.925 30 20 HCED Cn1c([C@@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)nc2ccccc21 915099874 DTHPDKAJIVTZSO-STQMWFEESA-N 413.459 0.915 30 20 HCED CCN(CCS(C)(=O)=O)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116372251 OLZVXRZRJVIYRB-HNNXBMFYSA-N 406.464 0.656 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1152424414 PAWFVXAPZYTTJE-IJEWVQPXSA-N 409.508 0.343 30 20 HCED CN1CC[C@](O)(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1314927452 KRXUDWLYFBNERA-OXJNMPFZSA-N 400.458 0.803 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2=O)cc1 1318069102 NFEWCFQOGMAABG-MRXNPFEDSA-N 408.462 0.812 30 20 HCED N#CCN1CCC(CNC(=O)CSCC(=O)NCC2CCN(CC#N)CC2)CC1 1319244731 MGGDQUBHOXGOMU-UHFFFAOYSA-N 420.583 0.423 30 20 HCED N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1F 1441391584 ULWSPRCMLHXBFX-UHFFFAOYSA-N 424.385 0.675 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1 1451616375 JFZGGYCRPMQYLK-QGZVFWFLSA-N 410.517 0.899 30 20 HCED CCS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1503284671 WYJKHSHFIZUHTF-HNNXBMFYSA-N 422.486 0.676 30 20 HCED CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1518631865 IRXCCZWBAIOZPJ-XUWVNRHRSA-N 411.528 0.970 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[C@@](O)(CC#N)C3)CC2)cc1 1559942185 OFSPSXFDGLDCOH-PXNSSMCTSA-N 420.535 0.567 30 20 HCED C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cc(F)ccc1N1CCN(C)CC1 1627709102 JMGVBSQTZHZSML-ZDUSSCGKSA-N 414.441 0.589 30 20 HCED N#Cc1cn(CC(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c(=O)nc1O 1628546309 LKPHGYCIESYLPR-UHFFFAOYSA-N 415.425 0.619 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1628787137 QMMXFFJTUYCULR-KRWDZBQOSA-N 424.436 0.415 30 20 HCED N#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 1678175353 JKOGKPXABJSPMN-UHFFFAOYSA-N 404.452 0.528 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)C1 1679944940 QWNICCJSDULLBJ-AVGNSLFASA-N 401.489 0.079 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCC[C@H]1C 1706891530 WFXMWUXFCMEAAK-UMPJEAMMSA-N 412.516 0.168 30 20 HCED 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COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 410199431 PYXIIEZIVZPLCZ-OAHLLOKOSA-N 412.512 0.979 30 20 HCED N#CCCn1ncc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1-c1ccccc1 430040116 HBWKCXANLIAGPY-UHFFFAOYSA-N 419.449 0.435 30 20 HCED COCCCS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 431165836 HAKRHZNVUXLZOT-UHFFFAOYSA-N 408.524 0.917 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 437382633 FDHRBKUFLMXXJC-OAHLLOKOSA-N 421.523 0.569 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)cn1 439586007 GQPHNUYSYLJLII-UHFFFAOYSA-N 409.450 0.178 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCn3c(O)nnc3C2)ccc1OCC(F)(F)F 440773015 HZLOIFAGEJQOFZ-UHFFFAOYSA-N 410.312 0.777 30 20 HCED CO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)C1 441358329 PKFUMODFNSLLKA-SJLPKXTDSA-N 420.535 0.890 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)Nc1cccc(N2CCCC2)c1 444507029 JTTSTILOVPMRKD-HNNXBMFYSA-N 423.477 1.479 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(OC2COC2)cc1 445137054 OAKHSPJSWVOLKF-CQSZACIVSA-N 422.445 0.802 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCNC(=O)c2cccs2)cn1 460613572 ICRPWBFEVUSUAV-UHFFFAOYSA-N 409.431 0.685 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cn1 462085278 SGYPGTIUYMFNAO-UHFFFAOYSA-N 421.421 0.838 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465509269 USZGVZCOKLPYDL-DZGCQCFKSA-N 408.484 0.131 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465509270 USZGVZCOKLPYDL-HIFRSBDPSA-N 408.484 0.131 30 20 HCED CCOC(=O)[C@](C)(NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 466374387 RZGDPSRHKDGCLZ-KZULUSFZSA-N 419.463 0.709 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCN1CCC[C@H]1CO 476442433 GLJWTYGRWAFPNC-RDJZCZTQSA-N 408.524 0.578 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)s1 477028794 GMNFKVVOXGABLD-UHFFFAOYSA-N 407.542 0.595 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](N(C)c3c(C#N)c(=O)n(C)c(=O)n3C)C2=O)c1 479464285 LKYPKYSSMXVAJJ-MRXNPFEDSA-N 413.434 0.215 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)n(C)n1 489366464 DTYUMYMPSYQLBA-CVEARBPZSA-N 409.450 0.963 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 493953509 URBQTNSURKDQKS-CQSZACIVSA-N 408.480 0.824 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC(C)C)c2C2CC2)CC1 499000623 LQVZHHCQOPAUET-UHFFFAOYSA-N 416.526 0.801 30 20 HCED Cc1cccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1C#N 501992357 BXEGGSWKPTWSLI-HNNXBMFYSA-N 413.521 0.682 30 20 HCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccc(C#N)cc1 505309505 DFYOPCGDUXMYKL-MRXNPFEDSA-N 420.539 0.439 30 20 HCED Cc1cc(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nn1-c1cccc(C#N)c1 505784589 YBHPTAHQMNSBGH-UHFFFAOYSA-N 405.422 0.024 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)NCCF 506447649 NNQUDMDGAPWOBC-CYBMUJFWSA-N 417.441 0.798 30 20 HCED CN(C)CCN1CCC(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 509937285 IHQPRHWGDZSXNF-UHFFFAOYSA-N 421.567 0.882 30 20 HCED N#CCCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 510078634 KMZAIPKVAPXXCM-CQSZACIVSA-N 414.509 0.967 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](C(=O)N4CCCC4)C3)n2)cc1 510641268 YIKXLBRKMNNSQF-QGZVFWFLSA-N 421.461 0.607 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)cc1 522191395 JYHFVBCRYNQUEW-UHFFFAOYSA-N 402.480 0.137 30 20 HCED CN(C)CCOc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 526098125 SZTJJFLGKGUBIT-UHFFFAOYSA-N 413.482 0.834 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)n1 536976344 UAUKFZZFHRPHNA-ZDUSSCGKSA-N 415.406 0.559 30 20 HCED COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 541144083 PZFFGTAHUPBBCH-ZDUSSCGKSA-N 415.381 0.612 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CNc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 541802571 TXWYCLUHRCKMJS-FQEVSTJZSA-N 414.466 0.646 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@]3(CCO)CCOC3)n2)c(F)c1 543005158 KQWPTCKRFLWMSG-LJQANCHMSA-N 401.398 0.727 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 544879908 FUTISDJBCSQZQR-WFASDCNBSA-N 405.480 0.288 30 20 HCED COCc1cccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 550588674 PQHRDUKQOSWGIM-UHFFFAOYSA-N 410.478 0.712 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2N2CCOCC2)C1=O 556212023 LWWOXOSNKJWFMU-SFHVURJKSA-N 400.479 0.385 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCOCC 556782195 LGLDUACHESJRBU-UHFFFAOYSA-N 403.508 0.018 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC[C@]1(O)C[C@H]2CC[C@H]1C2 559956878 OHRARQYIPBUIEC-HTZUNMPGSA-N 408.462 1.443 30 20 HCED COC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 561704379 MQXNYSMXIVVKOZ-DOTOQJQBSA-N 412.446 0.581 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@H](O)[C@H]21 565468656 APVQSJHCVRMYAF-SEPVDIHQSA-N 407.474 0.737 30 20 HCED N#Cc1cccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 568808880 SSVYLPZEEYRNSC-UHFFFAOYSA-N 410.433 0.723 30 20 HCED COc1ccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 569276864 IVGMTCWNKBOXGO-UHFFFAOYSA-N 416.459 0.391 30 20 HCED COc1cc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1OCC(N)=O 573897677 OUCKFQNTDUENQR-UHFFFAOYSA-N 424.461 0.858 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 574025990 MRUFRBPUVAMWJJ-UHFFFAOYSA-N 420.491 0.883 30 20 HCED CC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 576602779 MOQHHZFFYRURQP-UHFFFAOYSA-N 417.897 0.987 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 580018713 AFBNIGDRIGRMSZ-UHFFFAOYSA-N 414.369 0.489 30 20 HCED CC(C)(C#N)CCS(=O)(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 580245405 MKQKMUBCLXVBHB-UHFFFAOYSA-N 404.470 0.732 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 589157227 OBWVRCYVLNKXKF-UHFFFAOYSA-N 407.854 0.916 30 20 HCED CS(=O)(=O)NCCc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 604538408 AKSBVULCQFCFMS-UHFFFAOYSA-N 408.524 0.466 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCCN2C(=O)CCC2=O)CC1 609279631 ZHJWVYCOROJRLP-UHFFFAOYSA-N 400.439 0.794 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cn2)c1 610748143 MFFBLJPYIUMXPU-HOTGVXAUSA-N 409.402 0.833 30 20 HCED N#C[C@]1(F)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 615662831 ZRXGEUZYLJQGPZ-LJQANCHMSA-N 422.482 0.764 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)CC1 725831951 YKDRLILEZMLTGZ-UHFFFAOYSA-N 407.496 0.699 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NCC=C)cc2)CC1 729257463 GJHATLIZBNJIIR-UHFFFAOYSA-N 418.519 0.048 30 20 HCED CN(CC(=O)OCC(=O)NCC#N)S(=O)(=O)c1ccc(Br)cc1 731242137 YLKNMUNHRGCSNL-UHFFFAOYSA-N 404.242 0.253 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@]2(C)CCOC2)cc1 733668172 TXSTTYASYJSCFB-QZMYASAMSA-N 422.507 0.981 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 741638586 OFFGCZHGCRTNCG-CYBMUJFWSA-N 407.423 0.942 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 748384280 ZEGLBMIPBMAPPQ-GOSISDBHSA-N 403.395 0.746 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1OC 760118818 UBUPGMZFAHFVBB-UONOGXRCSA-N 401.423 0.822 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(C#N)cc2)n(C)c1=O 766235993 BFBUIOHWQNHERZ-UHFFFAOYSA-N 411.418 0.706 30 20 HCED CCn1nc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c2ccccc21 769886753 OPQJZVGZTQTGRY-UHFFFAOYSA-N 406.471 0.394 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CC(C)(C)Oc3cc(F)ccc32)c(=O)n(C)c1=O 771896582 DAKHSZNUVKOSPC-UHFFFAOYSA-N 410.427 0.467 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1nc2cc(OC)ccc2n1C)c1cc[nH]n1 772560570 XZWPPUQKROXMQD-UHFFFAOYSA-N 414.422 0.905 30 20 HCED C#C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)[C@@H]1CCCO1 773554947 GDDMNIDNIKIWND-SJORKVTESA-N 400.483 0.326 30 20 HCED COC(=O)Cn1cccc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 776179752 WSJOMZWZUAIFDJ-UHFFFAOYSA-N 420.495 0.438 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)ccc1F 777015886 JYJNKJRYROOSES-CVEARBPZSA-N 416.471 0.840 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 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C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)C1=O 807655617 FEIKPHARJIKQSB-ROUUACIJSA-N 412.490 0.852 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1)[C@@H]1CCCO1 809313309 SIOAYRCHPOFOIO-HOTGVXAUSA-N 405.401 0.546 30 20 HCED C#CCN(C)c1cnc(-c2noc(C3CCN(c4ccc5nnnn5n4)CC3)n2)cn1 813342974 SURIUEQMWGNDFE-UHFFFAOYSA-N 417.437 0.813 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)c1 813984264 ODJFDVYJUPEZOW-KRWDZBQOSA-N 404.423 0.971 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 815647661 QRVAHCRCDJYKIC-UHFFFAOYSA-N 413.477 0.527 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CC(C)(C)OC2=O)cc1 815761124 GEZJBVLUDRGAET-OAHLLOKOSA-N 423.491 0.984 30 20 HCED C[C@H]1COCCN1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 820124552 BODIYOSPGGKGPP-AWEZNQCLSA-N 406.508 0.437 30 20 HCED N#C[C@H](C(=O)NCc1ccccc1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 916888880 BOYJXWDNQREUFC-PMPSAXMXSA-N 403.460 0.047 30 20 HCED 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NODDBHCXMGEHHM-CRAIPNDOSA-N 412.512 0.150 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831671292 LKCVETCZJUICOR-DOTOQJQBSA-N 405.495 0.999 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)C3(O)CCC3)C2)C1 1832448226 SCUKSEGEVHTWRT-VQIMIIECSA-N 412.552 0.913 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1COc3ccccc3O1)CCO2 1832494629 YPKGRSNPDSYQMW-GHTZIAJQSA-N 415.446 0.587 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nn3)CCO2)C1 1833834018 GZZCZYYICVLMMX-KUHUBIRLSA-N 421.454 0.053 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)cn3)CC2)CC1 1834337874 PPYFLHOAAHDJPG-UHFFFAOYSA-N 400.435 0.060 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnoc3CC)CCO2)C1 1834513872 HNBUZLHJVIHFIT-QRWLVFNGSA-N 405.451 0.345 30 20 HCED CCOc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1O 1834765174 NDZZZLJWUATYQL-HXUWFJFHSA-N 403.435 0.775 30 20 HCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834873622 QLOZGSZVTWPMHI-UHFFFAOYSA-N 419.530 0.228 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)nc3O)CC2)CC1 1835070630 MAFPLSFZNGEEBC-UHFFFAOYSA-N 401.467 0.486 30 20 HCED Cc1ncc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)s1 1835347699 COWGNZQJJXOUAF-LJQANCHMSA-N 404.492 0.754 30 20 HCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835364050 JMAYVDVFVNDOKW-CBGDNZLLSA-N 421.494 0.726 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(N)s3)CCO2)C1 1835843108 IFHQGNWVOGLPAV-AUUYWEPGSA-N 424.523 0.368 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1)C(F)(F)F 1836026905 OVZQOEXTBCRGPS-INIZCTEOSA-N 418.372 0.495 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5[nH]ccc5n4)CCO3)C2)CC1 1836903932 NYOZLLBTNYJVJF-OAQYLSRUSA-N 409.446 0.937 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)OC(C)C)C2)C1 1837399447 UDKQJYLHRMELHY-WWMYMODYSA-N 412.527 0.829 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1837669498 YGDNQFQAURGFGG-QRWLVFNGSA-N 408.499 0.297 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1837693343 ONKLYELYFSVFQM-ALKREAHSSA-N 413.540 0.088 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1839887510 GQQPKRNWBMOLFG-OAHLLOKOSA-N 406.455 0.281 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840088700 WEPCALBTQINYOY-QRWLVFNGSA-N 424.498 0.660 30 20 HCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840141548 KQZOLXFBGTZLQG-CSODHUTKSA-N 419.478 0.502 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nc(C)no3)C2)C1 1840292202 CBUZWWHOCBKSQN-FQEVSTJZSA-N 404.467 0.571 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)no1 1840369283 KXBIUHPTUSOYKV-FQEVSTJZSA-N 413.434 0.496 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938398 RQHBMLRXYRYFJO-AZUAARDMSA-N 413.584 0.883 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C2 1841598672 VRNIZPLQJILNTE-JKSUJKDBSA-N 423.510 0.504 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841605449 GGGNEZZZKLATKO-INIZCTEOSA-N 415.494 0.781 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844673691 SDONXJIZJLLNMK-YDZHTSKRSA-N 423.477 0.378 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1847800664 SJXXSMGJHBTXMY-RMHZUWNSSA-N 414.462 0.233 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)NCCS(=O)(=O)N3CCSCC3)n2)c1 409661784 NOYXUQZAUSACBY-UHFFFAOYSA-N 405.505 0.852 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 429925562 OWRCBSKRPKRWJT-UHFFFAOYSA-N 411.484 0.233 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS(=O)(=O)C1 433173586 IIGHSUGGKQODRI-HZPDHXFCSA-N 410.565 0.823 30 20 HCED C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1c1nccn2cnnc12 433394135 KIOOGCXMYRQHRV-WMLDXEAASA-N 416.445 0.839 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 437529446 SZSNABMLUNHUBC-MAUKXSAKSA-N 407.492 0.518 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 439557710 VUTWULABDAUTHM-HNNXBMFYSA-N 421.523 0.760 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1=O 440253541 IQUFFRVNRYVFKP-QGZVFWFLSA-N 409.446 0.475 30 20 HCED Cn1c(NCCNS(=O)(=O)c2ccc(Cl)cc2F)c(C#N)c(=O)n(C)c1=O 440673095 PNSOOBMQVNRPNF-UHFFFAOYSA-N 415.834 0.139 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 442004722 VVJWICFBKBHGIK-CYBMUJFWSA-N 423.420 0.802 30 20 HCED CCc1nc2n(n1)CCC[C@H]2NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 446554353 GYFGLULSQWRHSX-OAHLLOKOSA-N 402.480 0.984 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C 460688644 AYWMSGXCFLUIPB-ALOPSCKCSA-N 407.478 1.517 30 20 HCED COCCNC(=O)CN1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 465635699 NWBHROXYTVZMEP-UHFFFAOYSA-N 419.551 0.881 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)c1C#N 472748994 JBWPIIADCBFQMT-UHFFFAOYSA-N 406.446 0.935 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)n2)c1=O 479356694 GMUOCLANJJELSX-UHFFFAOYSA-N 416.503 0.379 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 498870177 BKQZMEDCBVUNMW-SFHVURJKSA-N 420.473 0.492 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCSC[C@H]2CO)CC1 501533478 AJCMYWKAYLOQMT-CQSZACIVSA-N 417.491 0.865 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C)c1=O 502050875 PJCRGYKKXRFXDN-UHFFFAOYSA-N 403.533 0.178 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 504131428 RDZZYBJKUJFDTA-UHFFFAOYSA-N 418.479 0.447 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2noc(C)n2)c2ccccc2OC)C1=O 505264222 KGBFYKPXNSPNPC-OAHLLOKOSA-N 413.390 0.569 30 20 HCED C[C@@H](Cc1ccncc1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 506871469 KJXXPEKAIKVAQY-HNAYVOBHSA-N 405.458 0.918 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Br 508363705 OXDYLYFYGFDIMJ-GXFFZTMASA-N 412.265 0.905 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CCCO)c2ccccc2)CC1 509114264 OJGPXZPOHZJCDX-GOSISDBHSA-N 402.495 0.063 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 511983961 RGFILYKZMTWMBJ-HNNXBMFYSA-N 418.542 0.570 30 20 HCED COC(=O)c1cn(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 515662058 FSYYLZKZULFUNG-HNNXBMFYSA-N 411.422 0.037 30 20 HCED CN(CC(=O)N1CCC(N2CCNC2=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 516129989 DEWVTQVPMDAUMG-UHFFFAOYSA-N 405.480 0.195 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 517772018 KJXGQRAMJWROJG-CYBMUJFWSA-N 403.409 0.701 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)Cc2ccc3c(c2)OCO3)C1=O 520348178 JJAOSUHMAUXIMD-UHFFFAOYSA-N 403.391 0.367 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1c(C)cnn1Cc1ccc(OC)c(OC)c1 538546498 MCUGMQVTJLIQTO-UHFFFAOYSA-N 415.450 0.614 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(Br)c(OC)c1 538591026 IBVQSVNEOPOZRN-UHFFFAOYSA-N 400.229 0.823 30 20 HCED COC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(O)c1 539409919 KSAXLJJHMNWPOW-PXAZEXFGSA-N 417.443 0.961 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)n1 540235218 HDIFJEWNIIJPRB-UHFFFAOYSA-N 415.498 0.431 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)OC)CCOCC2)cc1 543826282 XDNHINOZTBUMCV-UHFFFAOYSA-N 403.435 0.627 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(COC)OCCc3ccccc32)C1=O 558583946 QYORKKWECWUIGR-HXUWFJFHSA-N 401.419 0.194 30 20 HCED C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 558994182 UJOOUQBHHGFXIP-UHFFFAOYSA-N 414.466 0.622 30 20 HCED N#CCC[C@@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1 561268550 PGUNRVMCUBMUBP-CDUMDVBJSA-N 410.434 0.895 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 562908775 BWWBBAIASBCVHU-UHFFFAOYSA-N 417.447 0.740 30 20 HCED CN(C)Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 579381612 USVLHAVGZALLSG-UHFFFAOYSA-N 406.490 0.980 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cc1 581042697 LHCRPRCLRDWXLC-CQSZACIVSA-N 420.413 0.216 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCOC[C@@H]2CCOC2)CCN1Cc1ccccc1 588107133 YZPCAQUIYZBHKK-RTBURBONSA-N 400.479 0.392 30 20 HCED N#CC1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)C1 590492505 YGLXXRRXSQBUOZ-UHFFFAOYSA-N 420.491 0.140 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603987373 IUCFFZJTPRHFBT-UHFFFAOYSA-N 422.488 0.555 30 20 HCED C=CC[C@@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611662364 RWCCJGVOYZGHEJ-NFAWXSAZSA-N 413.452 0.020 30 20 HCED C[C@H](NC(=O)c1ccoc1)C(=O)NCC#CCNC(=O)[C@H](C)NC(=O)c1ccoc1 680340018 SHJKPHHZTRIIJJ-KBPBESRZSA-N 414.418 0.045 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(N)=O 684534592 BRLNPVQQXBJULT-LBPRGKRZSA-N 401.492 0.291 30 20 HCED C#CCN(C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 729331110 JKYKPJCABHFRMB-LBPRGKRZSA-N 411.461 0.435 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(Cl)c(F)c2)c1=O 729671117 HWTJMITUUUHYLD-UHFFFAOYSA-N 411.867 0.774 30 20 HCED NC(=O)[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1Cl 732467095 VMASJCOOIXJSMW-DOXHGZAWSA-N 419.869 0.810 30 20 HCED COc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910845 VURBOJGFVCEKNI-CJNGLKHVSA-N 419.459 0.014 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)CC1 733149208 AOBOYCHIWPSUDH-INIZCTEOSA-N 410.474 0.263 30 20 HCED C#CCN1CCC(C(=O)NC[C@](C)(COC)NC(=O)C2CCN(CC#C)CC2)CC1 733893300 KGNJTPYFOQWTGW-HSZRJFAPSA-N 416.566 0.314 30 20 HCED CCN1CCN(CCCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733975531 AXOJJDDGJMZZPY-UHFFFAOYSA-N 421.567 0.649 30 20 HCED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc21 743897530 YBHCPNXLGLJOIE-UHFFFAOYSA-N 419.445 0.821 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)c2c(F)ccc(S(N)(=O)=O)c2F)c1 747271088 WUHXQWBVJMXZDU-UHFFFAOYSA-N 409.370 0.957 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 749663023 QHWRUFRNGZCBNB-UHFFFAOYSA-N 417.437 0.874 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](CO)C2)cc1 749664571 VTDDACVQXMQZHE-NNLSSIJJSA-N 422.507 0.669 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)cc1 749667020 WXQCVOQIGLYZAX-ORIIVFLWSA-N 422.507 0.858 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCS(=O)(=O)CC3CC3)C2=O)cc1 753181455 RHWZEWGSKIVNDY-QGZVFWFLSA-N 404.492 0.783 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 755556430 ZAXTXRJPGCXBES-ZIAGYGMSSA-N 419.486 0.258 30 20 HCED CCOC(=O)c1cnn2c(O)cc(CN3CCN(c4nccnc4C#N)C[C@H]3C)nc12 756911066 PZUBIWDARGOAEX-CYBMUJFWSA-N 422.449 0.984 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C)cc2)c1=O 758061208 YOGXFYDAPDIZKZ-UHFFFAOYSA-N 409.511 0.897 30 20 HCED CC1CCN(c2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 760217476 PGRUWDFSDTZGLI-MRXNPFEDSA-N 404.492 0.897 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCCO1 773797291 QZKSRRMGSHJVBU-HZPDHXFCSA-N 405.476 0.671 30 20 HCED C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)[C@H]1CCCO1 775344627 ACISDCJKIJGHMZ-RRFJBIMHSA-N 424.475 0.906 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N(CCCOC)[C@H]2CCS(=O)(=O)C2)c1 782969769 ZOYUUGDOCCQSCH-INIZCTEOSA-N 408.476 0.689 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1ncccc1S(C)(=O)=O 787614829 DNJDYYRIRWZFEG-UHFFFAOYSA-N 405.407 0.891 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCc2nc(-c3nc[nH]n3)no2)ccc1F 787636725 XUAXJQVCPXPTOA-UHFFFAOYSA-N 408.371 0.815 30 20 HCED COc1cccc(N2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)c1 787756092 YRXSZCUILSIKTR-INIZCTEOSA-N 408.462 0.885 30 20 HCED Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CC3)C2=O)cc1 793201625 PAQHRDOSWUWGBT-QGZVFWFLSA-N 404.448 0.512 30 20 HCED CCn1ncnc1CN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1 794442986 XAXMZJIAKAVUET-DLFJBECYSA-N 401.496 0.872 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(Cc3ccon3)c2=O)c1 794640801 SJXWHZBCJWAIDY-OAHLLOKOSA-N 424.482 0.783 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CC(N)=O 799940130 XITKYIUIBFZNOG-LLVKDONJSA-N 417.462 0.661 30 20 HCED CS(=O)(=O)C1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 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UVVYZRNQNQBLFX-JOCHJYFZSA-N 423.473 0.604 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1830063370 QCMYBHSMWUQZLE-HXUWFJFHSA-N 402.451 0.336 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCOC1=O)CCO2 1831023169 GSBIBBYGRPQGOK-HXUWFJFHSA-N 407.467 0.089 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1831386645 HULAWFHPOXNVQV-QRWLVFNGSA-N 421.519 0.489 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1831418287 BHPMKJULWXVLEC-KKSFZXQISA-N 419.478 0.751 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nnc4ccccc43)CCO2)C1 1832209274 TXLLCMMGPYBHJG-IFXJQAMLSA-N 419.507 0.206 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427761 RARHZQOZELQOTQ-MRXNPFEDSA-N 423.579 0.652 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833439573 UGGVOWYXOQAYEP-QRWLVFNGSA-N 422.482 0.090 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1833470385 ALBXYSUVQHEYKH-KRWDZBQOSA-N 420.554 0.677 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1834169517 FHAAAXMIWAFNRP-JOCHJYFZSA-N 408.458 0.542 30 20 HCED Cc1nocc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834337700 GNZDOUVPCFBTPD-YUSOBQLHSA-N 419.482 0.525 30 20 HCED CC(C)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835680208 DXPHENHETQIHNU-BXKJMJEDSA-N 406.527 0.937 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707637 MGVZFZDNXPKGRL-DJPFJPOOSA-N 402.495 0.750 30 20 HCED CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)/C=N/N3CCCCC3)CC2)CC1 1835732681 WFSSCVMMAKRFSL-HZHRSRAPSA-N 420.558 0.166 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1835773603 XIGLLIGHZQQPNI-UHFFFAOYSA-N 417.510 0.861 30 20 HCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836864383 PQULSIUKUZFTJX-PXNSSMCTSA-N 423.554 0.691 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253658 NPMBNRRQDAXGCV-OLIFAPLXSA-N 405.495 0.490 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)ccn1 1838737999 JYMNRMLTRLQGIM-OAQYLSRUSA-N 409.446 0.974 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715721 SUZSHBYUCVGRSD-OXQOHEQNSA-N 421.498 0.449 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1839839712 KKEHFNYDPICSBK-FOIQADDNSA-N 406.483 0.711 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)NC3)C2)C1 1839886500 DPAGKSRUBNCZOI-KSSFIOAISA-N 415.437 0.180 30 20 HCED Cc1ccc([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839948563 ZXXBISRBWFXXSZ-VGOFRKELSA-N 414.458 0.643 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1840169989 WUZNTCBMUSLERQ-NZQKXSOJSA-N 414.502 0.850 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csc(N)n4)C3)C2)CCC1 1840812852 PBXHNJSONMDAAS-SFHVURJKSA-N 405.480 0.489 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)cc1 1841957896 LRMYVWWQRDYKOV-MRXNPFEDSA-N 409.446 0.292 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cn3[nH]cnc(=O)c3c2C)C1 1844656326 FUCVVCNDVIEGNT-HNNXBMFYSA-N 413.478 0.721 30 20 HCED CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138027 IUAUUPASQDJQHI-UHFFFAOYSA-N 419.503 0.747 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845989581 FYTVPZLBZHGVKC-OAHLLOKOSA-N 408.499 0.795 30 20 HCED COc1ccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)nc1Br 1846196030 DAKUQGOOLQZVKO-UHFFFAOYSA-N 422.235 0.758 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(OC)cc2OC)c1=O 7394498 USWJZWOPIKCLAR-UHFFFAOYSA-N 402.407 0.200 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(N)=O)cc(C(N)=O)c2)c1 16229774 XSFVIMQRUZZRSK-UHFFFAOYSA-N 400.416 0.048 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC(=O)NCc2ccc(OC)cc2)cc1 64650227 IYASSAPYAIWYFV-UHFFFAOYSA-N 424.457 0.982 30 20 HCED N#CCNC(=O)CN(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 111190782 XWBBPTHMERRCNC-UHFFFAOYSA-N 418.457 0.813 30 20 HCED Cn1c(O)nc(=O)c2[nH]c(CCC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)nc21 303563602 LPNYKPBIBFDBJV-OAHLLOKOSA-N 421.461 0.531 30 20 HCED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 410134540 AQWJKNOXXRRDMD-RHSMWYFYSA-N 403.468 0.680 30 20 HCED CC[C@H]1CN(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCO1 427857549 IWWILBPBWJRYNE-INIZCTEOSA-N 411.466 0.613 30 20 HCED C[C@H]1CC[S@](=O)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 433538810 PIVYATQSYGGDEX-PSBQPLHCSA-N 403.439 1.191 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cc1Cl 435785790 DWLPJJFNLGAEOM-UHFFFAOYSA-N 403.891 0.771 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)Cc1ccon1 443352537 DHBUMNORIANTGR-UHFFFAOYSA-N 404.857 0.598 30 20 HCED CN(Cc1nc(CS(=O)(=O)NC2CC2)no1)S(=O)(=O)c1ccc(C#N)cc1 445685305 YNHGPXXCJOTXLF-UHFFFAOYSA-N 411.465 0.344 30 20 HCED CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460611266 UCQVFUSWTFUGIA-QGZVFWFLSA-N 411.466 0.647 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(COC)cc2)c1=O 461366750 YWCCKLOGCVAHOF-UHFFFAOYSA-N 415.515 0.732 30 20 HCED N#Cc1c[nH]c(C(=O)NCCN(CCN2CCOCC2)C(=O)c2cc(C#N)c[nH]2)c1 463383388 ZIDNOCPBHNXXKB-UHFFFAOYSA-N 409.450 0.291 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)n1 464646484 HHTFBGXJSHTWEI-GOSISDBHSA-N 423.477 0.791 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CCOc1ccc(S(N)(=O)=O)cc1 464861661 VVSGOLRZFZGGSJ-CQSZACIVSA-N 402.480 0.585 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 464947959 CWWVKKGBTFFHHA-AWEZNQCLSA-N 409.516 0.240 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(S(N)(=O)=O)cc1 465208893 AFKLYWIIBSMTLD-CYBMUJFWSA-N 415.479 0.416 30 20 HCED C=C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 465353256 BMJZVARHPVJHSG-ZDUSSCGKSA-N 411.480 0.735 30 20 HCED CC(C)(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(N)=O 470645021 OUNDSVGURJHIOU-MRXNPFEDSA-N 406.508 0.975 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)c1C#N 471677845 RBQSDAUQOBENTR-UHFFFAOYSA-N 402.480 0.934 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 474791468 IGVZDIKXTVASIG-JKSUJKDBSA-N 407.540 0.367 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2nncn2C)CC1 480177419 HPHLSVTVFCDFJT-ZDUSSCGKSA-N 402.480 0.760 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2CC(=O)NCc2ccc(C#N)cc2)cn1 482999389 LRQSIEDSPAIXFU-SFHVURJKSA-N 401.492 0.863 30 20 HCED CO[C@@H]1CCCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483727600 PCUXNWNHIMQSOO-ZWKOTPCHSA-N 420.535 0.938 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 498841291 BAFVBGGYRTXEIW-UHFFFAOYSA-N 412.471 0.951 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2F)c1=O 502058207 OYKMRTNOHZVGMY-UHFFFAOYSA-N 423.473 0.897 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)nn1CCC#N 504047768 CEOFDRXBQBXSAK-GFCCVEGCSA-N 407.377 0.878 30 20 HCED Cc1cc(I)cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c1 508351524 WFAYQJRSCHIWKA-UHFFFAOYSA-N 424.202 0.818 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508706260 NWFRBAQFCKJTOB-CABCVRRESA-N 401.533 0.954 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC(C)C)CC1 508839781 IEHCHLNZTUEITM-OAHLLOKOSA-N 400.549 0.621 30 20 HCED Cn1c(=O)oc2c(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cccc21 511693416 WMUHFSOZCKMVHP-UHFFFAOYSA-N 406.402 0.685 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 513626579 ZQLXESONWKCCTF-UHFFFAOYSA-N 406.508 0.931 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C 515687633 XAPCDANQGVOSOB-UHFFFAOYSA-N 415.515 0.891 30 20 HCED C[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)S1(=O)=O 518445668 UQZTVNQOIORJOW-XHSDSOJGSA-N 410.565 0.964 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CCOCC 523079493 SWIPVULYTSQBHA-UHFFFAOYSA-N 404.517 0.517 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc(S(N)(=O)=O)cc1 531800348 JVPILZVKLKFBEB-CYBMUJFWSA-N 400.464 0.275 30 20 HCED COC(=O)[C@]1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1 538391257 RGYSDMRYLHLVMA-XLIONFOSSA-N 404.442 0.456 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 539352039 CWLHHXDVSJVBLM-UHFFFAOYSA-N 418.479 0.263 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccc(C#N)cc1 550978624 DKVAGRYTPPEFAR-RHSMWYFYSA-N 404.492 0.762 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 551924444 CITZXMBTBRJENM-CQSZACIVSA-N 423.450 0.250 30 20 HCED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 555799918 VLTTUSDRLNVHCC-UHFFFAOYSA-N 404.492 0.768 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CC1 557418344 JPCQVHDZCQIGMP-UHFFFAOYSA-N 405.458 0.665 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 557731118 PCLICAMPIKUJNB-HXUWFJFHSA-N 400.523 0.636 30 20 HCED CC[C@H](C)Oc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccn1 558158383 SFPGXLPQKBDZDH-ZDUSSCGKSA-N 413.482 1.143 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(OC)n1 563923882 VHWDXZYEDZOOQZ-UHFFFAOYSA-N 407.390 0.806 30 20 HCED COC(=O)c1cncc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)c1 564437381 PIEDWWJHBVPGCZ-UHFFFAOYSA-N 420.451 0.343 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 565393676 HLSIXXIALATUDP-UHFFFAOYSA-N 417.447 0.692 30 20 HCED CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 573888145 KMINVKUSEPIQRH-RDJZCZTQSA-N 424.509 0.882 30 20 HCED C[C@H]1COCCN1CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 582982326 LDTJJARJYUUHSJ-RDJZCZTQSA-N 417.485 0.619 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1Cl 619838663 APQGYUCVBJGNNU-UHFFFAOYSA-N 400.826 0.942 30 20 HCED C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669817082 ZJCSIVMEIBGRMR-UHFFFAOYSA-N 420.495 0.788 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670199424 FIPVFFBBSFOJJX-UHFFFAOYSA-N 411.532 0.019 30 20 HCED CS(=O)(=O)NCCNC(=S)NCCCc1nn(-c2ccccc2)c(N)c1C#N 727075585 QCSBZHYSLRWOQW-UHFFFAOYSA-N 421.552 0.272 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3ccccc3F)C2)c1=O 727423404 GORTXOOAJIYMES-QGZVFWFLSA-N 402.426 0.714 30 20 HCED Cc1nnnn1-c1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)ccc1F 727945131 QXJMZSQCHVILHH-UHFFFAOYSA-N 409.385 0.543 30 20 HCED COCCN1CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 730787623 NUBHHDCTMDNUCU-RDJZCZTQSA-N 422.551 0.977 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 731763460 GGLGIFQIOGPVKI-UHFFFAOYSA-N 414.505 0.644 30 20 HCED CC(C)NS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731862763 LKZAUOQPRZEMNS-VLGSPTGOSA-N 406.464 0.630 30 20 HCED C#CCN1C(=O)C(=NNC(=S)NCC(=O)NC)c2cc(Br)ccc21 731930061 ZHCABWHDTPKALN-UHFFFAOYSA-N 408.281 0.343 30 20 HCED CCN(CCCO)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743995017 JSSNXCBYDLNDBY-SILNSSARSA-N 410.496 0.669 30 20 HCED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 749216115 WODOOPJLDHHOPS-UHFFFAOYSA-N 422.459 0.167 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O 750408574 BMVMSUQLSQIDQZ-INIZCTEOSA-N 404.398 0.909 30 20 HCED CC(C)OCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 755476852 ZWMKJWBWHGCPKS-LTGZKZEYSA-N 410.496 0.979 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 755556426 ZAXTXRJPGCXBES-KGLIPLIRSA-N 419.486 0.258 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 757301656 ZBOAFGGNVYDOJM-JSGCOSHPSA-N 411.455 0.610 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 757597200 XOEQVSWKTBQUOQ-MELADBBJSA-N 400.501 0.676 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 761023754 KLCBWEDRICCVMA-SFHVURJKSA-N 417.535 0.715 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 761031493 SSMPKQPJBDFXJF-GOSISDBHSA-N 409.552 0.809 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)NCc1ccccc1 764843970 DLTAXMQSSXYPHQ-AWEZNQCLSA-N 400.460 0.658 30 20 HCED CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 766745336 XSHSXCNJVXVVLC-UHFFFAOYSA-N 405.480 0.856 30 20 HCED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 768113982 WRZDXBRYWFZKHV-IBGZPJMESA-N 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HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837396938 OYPJQBLXOGQHMC-OXQOHEQNSA-N 404.467 0.120 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838799286 UPOYJYYBUMATJU-FQEVSTJZSA-N 423.466 0.220 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3c(Cl)cccc13)CCO2 1839496497 MTJMPYVRDCRSBQ-LJQANCHMSA-N 402.838 0.920 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1839645213 CATRWRFNMGIEQB-IUYSQCCWSA-N 413.540 0.437 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(C)(C)NC(=O)OC(C)(C)C)C2)C1 1839805299 IELUCVGHXGIHDS-OAQYLSRUSA-N 423.510 0.769 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840483938 PRXWSUKLGXEGDU-HRAATJIYSA-N 403.479 0.876 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813752 TZRYPXVIYZKBOF-MGPUTAFESA-N 406.483 0.003 30 20 HCED COc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840814327 BRNHPGXIWJDVEJ-NRFANRHFSA-N 414.462 0.854 30 20 HCED 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N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)CC2)n1 554828675 VJWKRKNKEPXVIE-QRWLVFNGSA-N 415.519 0.773 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 559406102 NXWOCLVKZVNYQZ-UHFFFAOYSA-N 413.566 0.687 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)nc1 559715766 RAMJBQAPVQBOOU-UHFFFAOYSA-N 410.409 0.814 30 20 HCED COc1ccc(CCN2C[C@@H](C(=O)NCCn3cnc(C#N)n3)CC2=O)cc1OC 560758371 JKOSTQLUEZUWTP-HNNXBMFYSA-N 412.450 0.374 30 20 HCED CCCCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 579627019 JYYPDSOACAHGLM-HNNXBMFYSA-N 413.521 0.652 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1 589159756 PYIZXEUOSITPSP-UKRRQHHQSA-N 401.467 0.740 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccco2)c1=O 603795968 XULGCADIOBXBBN-UHFFFAOYSA-N 417.487 0.291 30 20 HCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 608912427 WMLRNOPQSCTHEO-UHFFFAOYSA-N 410.480 0.598 30 20 HCED N#Cc1c(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)nc2n1CCS2 609814619 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20 HCED COC(=O)N(C)CCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 729304228 KYLJHSSFBZFGKN-UHFFFAOYSA-N 408.480 0.870 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)Nc3cc(F)ccc32)CC1 734750392 UKLVEYTWAPLDIP-UHFFFAOYSA-N 418.454 0.925 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@H](CNC(C)=O)C3)ccc2c1=O 735473004 JAZUPXNERCDVJX-AWEZNQCLSA-N 402.476 0.848 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CCC#N)CC(C)C)CC1 739914389 JSLSXDASVBJUOR-UHFFFAOYSA-N 411.528 0.996 30 20 HCED C[C@H](CC(=O)N1CCN(C(=O)C2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742483882 WDKGCBCEATXCAW-CYBMUJFWSA-N 404.492 0.585 30 20 HCED C[C@H](CC(=O)NCCCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742536997 RQFIFYCCAYGEHO-MRXNPFEDSA-N 421.567 0.648 30 20 HCED CCN1CCN([C@H](C)CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742670439 SHVPBSGBLZXYNU-JKSUJKDBSA-N 421.567 0.646 30 20 HCED CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749728597 PNHADJIXCLVACO-VBUUPXLYSA-N 424.523 0.961 30 20 HCED CN1CCN(N=C2C(=O)N(CC(=O)N(C)C)c3ccc(Br)cc32)CC1 750911238 ALFITFZQKPQPRS-UHFFFAOYSA-N 408.300 0.835 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 751479913 PCLHUBVDKMXLRX-NSHDSACASA-N 413.456 0.720 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 753662322 FTGBTGZJGZADPO-CQSZACIVSA-N 418.431 0.205 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 757231945 QKRRBDDCNBPWSS-ZDUSSCGKSA-N 418.483 0.332 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758762331 SQYSUEUDSVPAGR-XQQFMLRXSA-N 401.489 0.079 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc(S)n1C1CC1 765425396 OWIBIIRUCLQMLD-JTQLQIEISA-N 406.493 0.757 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCc1ccc(S(N)(=O)=O)cc1 767547081 GDRJPFOHJFCIDU-UHFFFAOYSA-N 423.472 0.270 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN1C(=O)NC(C)(C)C1=O 767628345 QMMPUSLQDKNBRC-NSHDSACASA-N 408.436 0.099 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1COC2(CCOCC2)O1 777507473 WXYRJLXTTSENLX-AWEZNQCLSA-N 423.491 0.544 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 783059699 IOWGSOJRYRFZII-KBPBESRZSA-N 413.500 0.241 30 20 HCED C[C@@H](CC(=O)OCC(=O)NC1(C#N)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 784229729 HTECBUTZUPYYRL-LBPRGKRZSA-N 404.448 0.609 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNC(=O)NCCC#N)cc1)S(C)(=O)=O 787363850 SURGRVRVFGMIJG-UHFFFAOYSA-N 404.470 0.004 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1F 792241263 HBBBMKHKGVMEHJ-HNNXBMFYSA-N 401.485 0.332 30 20 HCED CON(C)C(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 794624198 KUXBZOVFGXPBQY-UHFFFAOYSA-N 408.480 0.669 30 20 HCED CCN(C(=O)COC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCS(=O)(=O)C1 798799748 ZXXNAZJEPNUVIV-MRXNPFEDSA-N 416.459 0.936 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 799287681 SSHAVSKKFCZUAG-OAHLLOKOSA-N 423.491 0.309 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S[C@H](C)C(N)=O)CC1 801151633 WPPVHGCAMJFQDQ-OAHLLOKOSA-N 402.520 0.550 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)nc2)CC1)[C@H]1CCS(=O)(=O)C1 801554678 NVMDBNATXLYDHK-LPHOPBHVSA-N 419.551 0.889 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1ccncc1 805809859 ZBJJXMRKOODPDE-WBVHZDCISA-N 420.477 0.990 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)n1 809236246 KGBYMFWIXVFIDI-LUCMSJLKSA-N 422.551 0.687 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H]1CCCO1 809313782 VDZPEUUFMBELFH-LEWJYISDSA-N 412.534 0.560 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCC2Cc3ccccc3C2)CC1 809819149 WIDWXQFKPVMQKS-UHFFFAOYSA-N 403.548 0.878 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)cc(COC)c2)CC1 810049834 BVHVJCPZKWLQBR-UHFFFAOYSA-N 413.927 0.932 30 20 HCED CC[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)OC 810484105 NXNHIYYPAQTOJT-FJGOLAJPSA-N 410.496 0.979 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250367 OKLWPDJKOIHFLQ-UHFFFAOYSA-N 407.446 0.734 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cc[nH]n1 816837567 YXRPREZXXUGLCT-CQSZACIVSA-N 412.406 0.640 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1CCOC 916200584 HRGOYOKCMDNRLW-UHFFFAOYSA-N 413.499 0.760 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 919170865 GRQJXZSPCYCDEU-DZGCQCFKSA-N 424.475 0.961 30 20 HCED C=CCC1(C(=O)N2CC[C@@](O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1040424530 HBFQRJKQFBPJGK-ORHUHTHUSA-N 404.507 0.862 30 20 HCED CC(=O)N1CCN(CCn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1301767626 UBLGKAJARFKJIM-GOSISDBHSA-N 401.515 0.829 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1301869839 ZZYMDYJCCRIDMY-RRFJBIMHSA-N 403.487 0.462 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1301968765 PFNQKRFHWWHJHE-HZPDHXFCSA-N 410.544 0.498 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC(C)(C#N)C3)CC2)cc1OC 1307731720 MAZWAGPAJMXMRL-UHFFFAOYSA-N 422.507 0.382 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1316348131 LXPCJWAYUKWNAQ-HNNXBMFYSA-N 423.520 0.485 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 1322072499 FHKQFLKRVKVKLI-LBPRGKRZSA-N 400.478 0.487 30 20 HCED Cc1ncc2n1CC[C@@H](C(=O)NCC#CCNC(=O)[C@@H]1CCn3c(cnc3C)C1)C2 1324617941 ABVSKINYXSEGGS-QZTJIDSGSA-N 408.506 0.757 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN(CCN2CCOCC2)[C@@H]2CCSC2)nc1 1473590189 QGDUXXFCGKPJCF-QGZVFWFLSA-N 410.565 0.867 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1504884675 QNYZZAGYIHHPLY-UHFFFAOYSA-N 420.514 0.812 30 20 HCED CC1(C#N)CCN(c2nnc(Cc3ccccn3)n2CCNS(C)(=O)=O)CC1 1510295141 XXZRSHZYGKPALU-UHFFFAOYSA-N 403.512 0.943 30 20 HCED N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 1521149048 OGDNHNXIOOYOHK-MRXNPFEDSA-N 420.539 0.965 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 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C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(N)=O)c(N3CCCCC3)c2)C1=O 499944012 JYXKHUSOANMBHH-UHFFFAOYSA-N 413.434 0.691 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 507428284 ZHSYUKGMEDZANF-CYBMUJFWSA-N 420.495 0.283 30 20 HCED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1OC 509415833 NAMIQCAUBSYZEM-CQSZACIVSA-N 410.496 0.940 30 20 HCED C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 513322340 SBTAAGUKXODLIY-BFQNTYOBSA-N 410.409 0.947 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 517807729 YXUYEYYJVJUBOJ-SFHVURJKSA-N 405.524 0.809 30 20 HCED Cc1ccc(C(=O)NC[C@H]2CCc3nnc(C)n3C2)cc1S(=O)(=O)NCC#N 522639183 YPJWAVKJRJSNBN-CQSZACIVSA-N 402.480 0.689 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 523451136 SVUJBMSGJFDZLT-UWJYYQICSA-N 415.542 0.878 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 531963757 SSSUEKZBUGHPKW-HOCLYGCPSA-N 404.492 0.838 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1CCN(S(C)(=O)=O)CC1 533126077 AIQCBLONHDPUDV-UHFFFAOYSA-N 418.523 0.938 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 541369397 NGRJHMTVFLPHOB-AWEZNQCLSA-N 424.479 0.062 30 20 HCED COc1ccc(O[C@@H](C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 551236714 YKEVBJTWONBKKQ-ZDUSSCGKSA-N 414.466 0.847 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 554406935 NHEDYDZCVMHBRS-UHFFFAOYSA-N 401.488 0.895 30 20 HCED C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 555272136 KCIJRTCIFRNYCJ-AWEZNQCLSA-N 410.434 0.397 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)CC1 562041836 YHZXKNRCZUTUCP-SOLBZPMBSA-N 405.476 0.443 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)n1 563305804 OWKYHEHJQTUXMJ-UHFFFAOYSA-N 401.386 0.771 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2COc3ccccc32)CC1 566941102 MVSBCCRGESILQM-DOTOQJQBSA-N 400.479 0.114 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 568890398 JUVDZKIUCWDHIH-QGZVFWFLSA-N 419.501 0.867 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 573590020 WGCBRTOBHQHBLT-UHFFFAOYSA-N 416.482 0.795 30 20 HCED CN(CCc1ccncc1)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576068091 VSQBGRYOSKGFFA-LJQANCHMSA-N 405.458 0.871 30 20 HCED CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 579626271 PKUCEUPSFJMULP-UHFFFAOYSA-N 422.467 0.193 30 20 HCED CCn1cc([C@H]2C[S@@](=O)CCN2CCS(=O)(=O)c2ccc(C#N)cn2)cn1 582629325 DSUDQUQFSUCPBE-DXPJPUQTSA-N 407.521 0.749 30 20 HCED CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589069444 SVMJRVUPMLKJPZ-UONOGXRCSA-N 414.466 0.103 30 20 HCED Cn1c(=O)c2cc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)cnc2n(C)c1=O 608924510 NIYSVUYPWFSIES-UHFFFAOYSA-N 416.401 0.524 30 20 HCED N#Cc1cccc(OC2CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 609204138 QSVFPQXXCANOCS-HNNXBMFYSA-N 420.491 0.414 30 20 HCED COC(=O)CN(CC#N)C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 609991436 FRXQRLRAUPDFBT-UHFFFAOYSA-N 402.407 0.719 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)c1 610775458 DDKAUCKERWXWRJ-KRWDZBQOSA-N 409.450 0.616 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 611547944 BIXVTIWCMIEBOK-ZWKOTPCHSA-N 411.462 0.297 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 642173208 PNAXFPYCYHZNIN-UHFFFAOYSA-N 403.526 0.599 30 20 HCED CO[C@H](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 726724446 PYPSMLHCGBITKC-QIAIEURZSA-N 410.496 0.979 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730620450 ISUMQHHCECYYTN-CYBMUJFWSA-N 403.391 0.366 30 20 HCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 731238445 FSNJQWCHPGIHIP-UHFFFAOYSA-N 401.828 0.157 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1CC(=O)NC1=O 732355529 PAMYIIFKAMHMHW-UHFFFAOYSA-N 405.411 0.047 30 20 HCED COc1ccnc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1 732466873 SLKXDXQYLAZFGD-ISLYRVAYSA-N 400.439 0.448 30 20 HCED COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1NS(C)(=O)=O 732467494 YFXFWTCPTLZTBN-NXVVXOECSA-N 423.451 0.715 30 20 HCED N#C[C@H](C(=O)COc1ccc2ccc(=O)oc2c1)C(=O)N1CCS(=O)(=O)CC1 732908325 JADKYBZEZACJIY-CQSZACIVSA-N 404.400 0.138 30 20 HCED CCc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910067 KZXCZXITVSFTSH-HZPDHXFCSA-N 417.487 0.568 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)C[C@@H]2CCCO2)cc1 734139320 RQZBLFLNFQYHNP-INIZCTEOSA-N 408.476 0.782 30 20 HCED COC(=O)CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 742962916 XMBGQFUPUZVBAM-UHFFFAOYSA-N 423.491 0.686 30 20 HCED COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1-n1cnnn1 743884632 RKWRZAQKDMXKBZ-UHFFFAOYSA-N 407.394 0.104 30 20 HCED C#CCNC(=O)COn1nnc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc21 747827922 PAKQAIAHIIAABR-ZIAGYGMSSA-N 405.480 0.276 30 20 HCED C#CCN1CCN(C(=O)CN(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)CC1 748816398 SYPXOWZOUDGFTE-UHFFFAOYSA-N 418.542 0.571 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)N2CCC(C(=O)OCC)CC2)c1 749255674 CJWGURLLMSQVLE-UHFFFAOYSA-N 407.492 0.740 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CCO)C2CC2)cc1 749742102 RSYIDMLMLVGUHR-VBUUPXLYSA-N 422.507 0.715 30 20 HCED C#CCN1CCN(C(=O)CN(CCCOC)S(=O)(=O)c2ccccc2F)CC1 749873272 CXSCTJLEEWCKPG-UHFFFAOYSA-N 411.499 0.630 30 20 HCED COc1cc(NCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(OC)c1 752176694 ZOOVAZYQBXAYQG-UHFFFAOYSA-N 418.475 0.971 30 20 HCED Cn1nc2c(c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCC2 755548790 QZVZRUZROBQKFE-BXUZGUMPSA-N 402.455 0.723 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(F)c(C(F)(F)F)c2)c(=O)n(C)c1=O 755805524 VPEGXQKGDRYMSI-UHFFFAOYSA-N 408.333 0.554 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)C1 757593241 YBJXWBSBUPPBFK-ZFWWWQNUSA-N 408.480 0.752 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccc(C)c2)c1=O 758079007 VAUXWNBNGRGSNX-UHFFFAOYSA-N 409.511 0.897 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)c2OC)c1=O 758079965 XLAFJEAMAZUJDT-UHFFFAOYSA-N 423.494 0.686 30 20 HCED Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 759355834 CRVYQLKGIJJTJH-SFHVURJKSA-N 412.471 0.733 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)C2CC(O)C2)cc1 759406949 YZFUZNTXLGWONS-SILNSSARSA-N 408.480 0.420 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 761153627 MZLGJULBPIPPET-UHFFFAOYSA-N 418.425 0.764 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C(=O)OC[C@@H]2C1 764140970 RVNOXZFQSMGCOM-AWEZNQCLSA-N 420.491 0.949 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 765523884 CDVAJMNRGUVFAO-YJBOKZPZSA-N 420.535 0.985 30 20 HCED Cc1nc(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 769774529 GDSQHZXCMGQPOS-AWEZNQCLSA-N 404.496 0.925 30 20 HCED NC(=O)CON=Cc1ccc(-c2nn(-c3ccccc3)cc2C=NOCC(N)=O)o1 771574370 GFOCPEOQCNUGNQ-UHFFFAOYSA-N 410.390 0.804 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C1=O 776122688 SPIBKOLYTRINCQ-KRWDZBQOSA-N 408.436 0.212 30 20 HCED C#CCCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 779519283 JRHZLRIKGLUNOD-VQIMIIECSA-N 407.536 0.627 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 783479536 CWFKKILTHFMSGX-MRXNPFEDSA-N 418.450 0.907 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 783479623 LNWNVNQBEODEHR-ZDUSSCGKSA-N 400.403 0.918 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCC(=O)OC)cc1C)[C@H]1CCS(=O)(=O)C1 783481511 PBZNATHAJNTUKN-AWEZNQCLSA-N 422.459 0.134 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1)[C@@H]1CCCO1 789744927 VBGOJCBRHPLXCD-ZBFHGGJFSA-N 412.450 0.582 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)c1 795387575 YMIAOTDNCQFHNU-ZDUSSCGKSA-N 407.448 0.662 30 20 HCED COC(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c(Br)c1 800122678 AONSELOWSZYFTC-LBPRGKRZSA-N 418.269 0.794 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 804891823 HXMRARQVQNATEF-MRXNPFEDSA-N 410.515 0.505 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NCCCOC 804946060 XRBRSIRQQOUOAJ-NRFANRHFSA-N 415.446 0.847 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CCN1C1CC1 806896621 JBAPXTKMENYJLH-AWEZNQCLSA-N 413.409 0.616 30 20 HCED CCOC1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 815884774 PPTBBOGEYGVKRI-SILNSSARSA-N 408.480 0.685 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)c1ccc2c(c1)OCC(=O)N2 816129204 NJHOJFKKGIMVRN-UHFFFAOYSA-N 402.344 0.916 30 20 HCED Cn1cc(C=NNS(=O)(=O)c2ccc(Br)cc2)c(=O)n(C)c1=O 839385469 RXLMLYWXJJRNHQ-UHFFFAOYSA-N 401.242 0.159 30 20 HCED CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 915476654 XQMPNOPRQJFGPL-UHFFFAOYSA-N 417.443 0.967 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCOC 916200537 FLFUTVMRBDGKQK-UHFFFAOYSA-N 405.426 0.640 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)cc1 918271509 MMKDZEAHMDDBTK-HYARGMPZSA-N 423.495 0.066 30 20 HCED CNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918279213 OLSIPANAXGASLN-JCMHNJIXSA-N 423.495 0.080 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(C#N)cn3)CC2)CC1 918738634 GCXMCDFVSWSHJP-MRXNPFEDSA-N 400.483 0.764 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)CN2CCS(=O)(=O)CC2)cc1 919135934 QICOPGLIPYISTN-UHFFFAOYSA-N 423.491 0.606 30 20 HCED N#Cc1cn(CCC(=O)N2CCCN(C(=O)c3ccsc3)CC2)c(=O)nc1O 1141985267 MVEPKBUAVRZINH-UHFFFAOYSA-N 401.448 0.647 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CNC3(C(=O)NCC4CC4)CCCC3)CC2)o1 1167829010 HJXOHGAYYYYVQK-UHFFFAOYSA-N 414.510 0.932 30 20 HCED N#Cc1cn(CCC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(=O)nc1O 1469379393 YDGGURQGBZTLJD-LLVKDONJSA-N 401.345 0.270 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC(=O)NCC(F)(F)F)c1 1555987716 MGRQSMQPJOVUPM-UHFFFAOYSA-N 407.356 0.431 30 20 HCED CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1566410388 YSYZJTZLETXRLD-ZFWWWQNUSA-N 404.471 0.925 30 20 HCED CN1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)C1 1618468362 KDJGPNJGMLRUNE-FQEVSTJZSA-N 410.482 0.732 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618730674 ITZSVTOUULZELH-HOTGVXAUSA-N 402.451 0.661 30 20 HCED CSc1nc(O)c(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1C#N 1636704360 OIKVETJFYUPKGK-OAHLLOKOSA-N 405.524 0.907 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1654007898 UIZRFGOIPKHGJE-INIZCTEOSA-N 422.869 0.920 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)s1 1655797459 BSTZPTOKJISXRA-AWEZNQCLSA-N 407.539 0.269 30 20 HCED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1693091827 QAVGLFHPFRJSFN-ZBFHGGJFSA-N 404.496 0.974 30 20 HCED CC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693914371 CWKDSGJFLIPELS-IERDGZPVSA-N 424.509 0.983 30 20 HCED CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N1CCOCC1 1694736004 VYYKXLXQGLJOIG-UHFFFAOYSA-N 424.509 0.683 30 20 HCED CC(C)NS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1741714266 NOGNDZLQXHMKKU-INIZCTEOSA-N 419.511 0.320 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1748295918 RGNQMQYOIXFPSC-HNNXBMFYSA-N 420.495 0.155 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1750379280 SHNPSMOVTFMNIC-ZUZCIYMTSA-N 420.417 0.003 30 20 HCED CC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1764255873 KGOJTOJCVMYKMZ-BRWVUGGUSA-N 422.555 0.783 30 20 HCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1770331563 UUYUBTRJFGQPEV-UHFFFAOYSA-N 407.521 0.820 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](N)c3ccccn3)CCO2)C1 1778969402 KDRLFEZEYIBXMP-FVJLSDCUSA-N 402.495 0.484 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CNC(=O)O1)CCO2 1778998948 MTOHJOIKJNPHDL-JXFKEZNVSA-N 421.570 0.976 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019351 GCIITDUWRJSNHD-VRFIZVPASA-N 417.514 0.216 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1779102520 ZRCAXCOJWHNBIC-XLKFECATSA-N 419.434 0.612 30 20 HCED NC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)cc1 1779140702 FSPWUZMTBVNCEB-NWBNNPRYSA-N 424.457 0.941 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COC(=O)C(F)(F)F)C2)CC1 1779277492 CCHFZJYBAAIDRX-SJKOYZFVSA-N 417.384 0.910 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779286261 QGWNMWDSQWTNPG-TXBDJKAOSA-N 422.482 0.036 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1780334536 FFPOVIFAWHWMAC-SNLHJCLZSA-N 415.450 0.859 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1780338004 OASZNANXFMVGBW-KRWDZBQOSA-N 401.452 0.240 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)COc3ccc(O)nn3)C2)CC1 1781491955 CCLQUWZWTKKDLK-JLTOFOAXSA-N 415.450 0.379 30 20 HCED Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(C)n1C 1782013297 BWEYBSUHKGLQHY-DYESRHJHSA-N 401.463 0.857 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1782056639 GZLQQSJRMQNTAV-QFIPXVFZSA-N 410.474 0.933 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCNC(=O)C2)C1 1782267844 LNGSAMZNFISJSK-BIZBXSGISA-N 407.511 0.618 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nsnc3NC)[C@H]2C1 1783521461 CUXKQQHOAVYFAI-XDQVBPFNSA-N 423.539 0.746 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 1783997324 SPISQUPPTRCVJB-VWKPWSFCSA-N 423.510 0.768 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnccn3)[C@H]2C1 1784248830 KYNJADMXWAGBBT-SZMVWBNQSA-N 416.478 0.508 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](Cc3cnc[nH]3)NC(C)=O)C2)C1 1784373829 KCPZYZBMVFIRAO-NQIIRXRSSA-N 415.494 0.090 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C[C@@H]21 1784384945 AURKJOJJMNJWLG-KNJMJIDISA-N 413.518 0.781 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCC(C)CC3)C[C@@H]21 1784478120 UDIVVGLAWMWAAA-MUGJNUQGSA-N 405.539 0.736 30 20 HCED Cn1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]3C2)cc1O 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C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N)n1cccc1 1795602680 WVCLVHQIHNQFDU-ZJPYXAASSA-N 401.511 0.921 30 20 HCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)n[nH]2)cc1 1795688714 SMUHTLLFMQNXTG-CWPLJXCYSA-N 409.446 0.823 30 20 HCED COc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H](N)C(N)=O)c1 1796086659 IIOMOOFXHCBDDC-KYHPRHEASA-N 413.478 0.411 30 20 HCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1=NN(c2ccccc2)C(=O)C1 1796480868 AAQAEMKHRYYIOH-YVWYUNDQSA-N 409.446 0.673 30 20 HCED CCc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nn1C 1798322481 HOZVWILBYIORJS-ADUKNNKPSA-N 416.526 0.657 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)Cn2cccc([N+](=O)[O-])c2=O)c1 1801357246 XSSRTTFZWGJWCN-QDMKHBRRSA-N 424.417 0.908 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CC[C@@H]4CCC(=O)N4C2)C3)CCC1 1801984475 JXPSEIGRCYGPBP-OGJJZOIMSA-N 414.506 0.671 30 20 HCED 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HCED C#CCCC(=O)NC[C@H]1CCN(C(=O)CN(C)C(=O)C(=O)O)[C@@H]1c1cccnc1 1814108893 IOUPAILSAAMHAX-CRAIPNDOSA-N 400.435 0.044 30 20 HCED N=C(N)NCC(=O)N[C@@H]1CCc2nc(NC(=O)C/N=C/c3ccco3)sc2C1 1819948421 RCSLAHXAMZDBHC-LGSFHTRGSA-N 403.468 0.250 30 20 HCED C[C@H](Cn1ccnc1)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1826834431 RZVKNBUIOQQDQQ-NEPJUHHUSA-N 401.448 0.676 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@@H](N)C(N)=O)CC1 1826933051 UKORNQRASFKROX-NXHRZFHOSA-N 406.527 0.237 30 20 HCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)cc1 1830219279 CBVIRAAXOJJRHB-LIVBEALHSA-N 424.519 0.503 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1830519113 MKHWGVHXNFNWMK-KJDRQLFNSA-N 422.503 0.714 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1831484942 JIKVVNFXLBSGRV-UYAOXDASSA-N 423.535 0.871 30 20 HCED COC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](S)C(C)C)CCO3)C2)CC1 1831499240 SIESOTSIJBPZTP-KDOFPFPSSA-N 414.524 0.350 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837393710 ZQLDCUNMHTXNJQ-LAUBAEHRSA-N 418.494 0.049 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ocnc3C)C2)C1 1837395087 OYRAKFGXUHUFGN-YWZLYKJASA-N 407.467 0.626 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837589201 RLXDKLRDHPHOOE-OXJNMPFZSA-N 421.498 0.518 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838017681 NNBOZTWMOLDGBC-JOCHJYFZSA-N 408.458 0.635 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1838210084 BPLUMFGGTMWFQI-NRFANRHFSA-N 418.494 0.838 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431445 QSRRCLRGKYOSPR-ACJLOTCBSA-N 405.480 0.118 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579323 IZXUEOWRFMHFRF-WIYYLYMNSA-N 417.462 0.408 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5n(n4)CCC5)C3)C2)c1 1838737494 VSUUGDWAMMSEDG-NRFANRHFSA-N 424.461 0.413 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCOC4)C3)C2)cc1 1839364165 PUJKVKIIWBYMIV-DENIHFKCSA-N 413.474 0.859 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnnc3O)C2)C1 1839889117 CWXJTGJCNSVEOL-KRWDZBQOSA-N 412.393 0.464 30 20 HCED Cc1cccc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043888 ZYUWOAJFOSXXKC-NRFANRHFSA-N 400.431 0.461 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047615 BOYLPYJAAZSCPC-DKLJTFSYSA-N 408.495 0.601 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccccn34)C2)C1 1840160941 ZCOZHDLTVIROAD-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1840162285 RNWSTRISEALWKW-FZKQIMNGSA-N 411.528 0.421 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1844239770 XUDRLNMLSUNDHM-SJORKVTESA-N 417.510 0.233 30 20 HCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(O)O)C2 1845131495 JLBYPUNDIWURTQ-CQSZACIVSA-N 409.483 0.197 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)[C@@H](C)ON=C(C)C)C2)CC1 1845253586 RJUBHZNBILXBAB-MRXNPFEDSA-N 407.515 0.155 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cc(F)c(F)c(F)c1)NC(C)=O)C2 1845959955 XWRTVTIQEOWLQD-MRXNPFEDSA-N 407.392 0.988 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 51708939 GGRBJMNYTMNYSK-IRXDYDNUSA-N 408.524 0.909 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 57016999 DMIMZXBZVAFREX-HNNXBMFYSA-N 419.507 0.585 30 20 HCED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2cc(C#N)ccn2)CC1 111148979 GSAZKYKVVGIULY-UHFFFAOYSA-N 421.504 0.331 30 20 HCED CC(C)N(CCCNC(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1)S(C)(=O)=O 428781588 ORJFHAZQNNSSMX-KRWDZBQOSA-N 423.539 0.583 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1 431443390 FFGXEAYGHPODTE-XGCWNURASA-N 422.532 0.830 30 20 HCED N#Cc1ccc(OC[C@H](O)CS(=O)(=O)Cc2nnnn2CC(F)(F)F)cc1 431589579 YWPJFGKHQKKOJC-NSHDSACASA-N 405.358 0.462 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C[C@@H](O)COc1ccc(C#N)cc1 433038646 HXNVLJPHSBVPRZ-MRXNPFEDSA-N 405.476 0.956 30 20 HCED Cn1ccnc1-c1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n[nH]1 435711400 OPRQPDALZOYHHG-CQSZACIVSA-N 418.417 1.526 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 437760940 RENTVLXKUWUZDH-YOEHRIQHSA-N 411.528 0.854 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)o2)c1=O 440381403 LJNMRANPHDKMEL-LBPRGKRZSA-N 400.460 0.439 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CN(c4ccccc4)C3=O)n2)cc1 441364220 LYYNYNOJJMDWLW-KRWDZBQOSA-N 415.413 0.668 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#N)c1 442387882 UEQGZKYBWFZSCN-UHFFFAOYSA-N 409.449 0.062 30 20 HCED C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1CO 442885353 WLGOOIGKAAKSAJ-RDJZCZTQSA-N 406.508 0.094 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1=O 443293056 JAFFWFMEUUJTEQ-UHFFFAOYSA-N 414.340 0.713 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)c1 446518080 NFKNPHFYBDIKSB-NSHDSACASA-N 417.390 0.106 30 20 HCED CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446522715 LQNSSRLMTWOTIC-UHFFFAOYSA-N 421.885 0.713 30 20 HCED N#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 461839798 BEWRUKXYDSKVNU-OAHLLOKOSA-N 421.475 0.609 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCN1CCOC(C)(C)C1 468979691 PTZNQZNBTVFIFN-OAHLLOKOSA-N 408.524 0.794 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)cn3C)CC2)c1C#N 471717542 ZFTFRRFPGAHFDV-UHFFFAOYSA-N 419.511 0.151 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3c4ccccc4C[C@H]3O)n2)cc1 472810960 QPUPZBJHXRDZNK-MSOLQXFVSA-N 402.414 0.911 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)COc1ccc(F)cc1 483113422 JRDLDLNBRBJWRH-CJNGLKHVSA-N 421.450 0.920 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 485568685 LVIMCFMPFJXING-GOSISDBHSA-N 401.492 0.624 30 20 HCED Cc1oc(NC(=O)CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(C#N)c1C 486123241 RDXDGAVGMRACLM-UHFFFAOYSA-N 420.495 0.755 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 486462167 PJASIJUKEQVLTL-HLLBOEOZSA-N 404.471 0.389 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cn1 490407809 LREWDCCZICUNBD-UHFFFAOYSA-N 411.466 0.030 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3nncn3C)nnc12 495324434 RXZUZDMREICHPW-UHFFFAOYSA-N 410.463 0.767 30 20 HCED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)nn1 501530904 DESDEEFYKBDASK-UHFFFAOYSA-N 421.211 0.454 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c1 502247269 XKUSPSUSIWALIE-UHFFFAOYSA-N 419.507 0.651 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 505012300 DERJJZMISVRQDS-UHFFFAOYSA-N 403.487 0.056 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCOC2)c1=O 505657179 CULXWEOKFAOZDG-AWEZNQCLSA-N 415.519 0.016 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ncnc2[nH]cnc12 505682443 QXCPBUIZUVYERI-OAHLLOKOSA-N 404.434 0.973 30 20 HCED COCCN(C(=O)CSc1nc(N)c(C#N)cc1C#N)[C@@H]1CCS(=O)(=O)C1 509235408 MUBHMCRSRUFMSO-CYBMUJFWSA-N 409.493 0.161 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 509421949 ASNOMZHCFPUWOD-NSHDSACASA-N 419.485 0.479 30 20 HCED CN(CCN1CCOC(C)(C)C1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 516517617 VFVNKJYPNUJSDO-UHFFFAOYSA-N 411.466 0.647 30 20 HCED CNCCCc1[nH]nc(NC(=O)CCc2ccc(S(=O)(=O)NC)cc2)c1C#N 534797450 ZOLQITSXBHURLK-UHFFFAOYSA-N 404.496 0.913 30 20 HCED CN(CCNC(=O)C(=O)N1CCc2ccc(C#N)cc21)S(=O)(=O)c1cccs1 550523528 SQUKAPIFBCEGIQ-UHFFFAOYSA-N 418.500 0.946 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCn3cnc(C#N)n3)C2)cc1 552326899 FKAHZRPKUAKFOY-HNNXBMFYSA-N 402.480 0.675 30 20 HCED CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@H](C)S1(=O)=O 553798265 NJRMXGWSTFNSBS-UKRRQHHQSA-N 413.521 0.835 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 562022306 JQYWRZQVPSCSTB-OAHLLOKOSA-N 411.528 0.730 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 563848241 UJTSJSYHNOHHBH-QGZVFWFLSA-N 417.491 0.806 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)o1 567240537 XSSZQQMOBIRVSE-UHFFFAOYSA-N 411.461 0.651 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc1 577071523 UDCSTGTXKAUPSC-HOTGVXAUSA-N 413.521 0.395 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)n1 584207142 OPDJMEPIPWWBRE-UHFFFAOYSA-N 414.487 0.307 30 20 HCED Cc1cccc([C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)c1 585715699 CRTQMESPBRAXIU-HXUWFJFHSA-N 413.522 0.589 30 20 HCED N#Cc1ccccc1CSCCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 603685451 WRYSLUZQFYMRFL-UHFFFAOYSA-N 414.495 0.332 30 20 HCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 604174755 OSVLVYFOYKZXGE-CRAIPNDOSA-N 407.492 0.771 30 20 HCED CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 609282758 MIYDHBFPTMETPT-OAHLLOKOSA-N 408.480 0.594 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1=O 610608416 WVXKGRCRWAOGRX-VOJFVSQTSA-N 403.826 0.987 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(C)C 612728698 RETDJZFHMPODMJ-QGZVFWFLSA-N 401.577 0.819 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c(Cl)c1 615315360 MMIKBSOTFDAKEJ-HNNXBMFYSA-N 405.886 0.673 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C 619695405 IVWIEVSGKCBWBB-UHFFFAOYSA-N 405.451 0.250 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 669806033 POCDCZDIZONLMV-AWEZNQCLSA-N 411.532 0.412 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(Cc3ccco3)CC2)cc1 727009843 BCFRILCDTODCIA-UHFFFAOYSA-N 410.430 0.769 30 20 HCED Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732154592 SZAQUWSRSJSIPX-VHEBQXMUSA-N 420.491 0.614 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(N2CCCS2(=O)=O)c1 732419768 SDFHNXVIVBUNRO-MSUUIHNZSA-N 419.463 0.874 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 735765569 OEATWPXAAMFAIP-QGZVFWFLSA-N 414.462 0.577 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C)CC1 735923183 OOGZVBHWOYUVRX-UHFFFAOYSA-N 407.492 0.227 30 20 HCED C#CCSCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 740071438 NCTSJEXNWLDQHR-MRXNPFEDSA-N 404.540 0.948 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 744759147 HVKSFZHVVWMUEO-BJJXKVORSA-N 421.425 0.274 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H](C)NC(C)=O 744990998 UBZYTQJPBUOQEW-NSHDSACASA-N 400.391 0.434 30 20 HCED Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 757155548 BQQZKYYGZKNKPR-LBPRGKRZSA-N 420.477 0.820 30 20 HCED COC(=O)c1cn([C@@H]2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)C2)nn1 760534545 RQZYTZIZNKFPTJ-MRXNPFEDSA-N 423.433 0.605 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NC[C@@H]1CCCO1 767674312 DWYVCOJKYXFFLP-YDHLFZDLSA-N 409.464 0.452 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)nc1 767708199 UYIBKJAEBNKLTD-UHFFFAOYSA-N 413.459 0.971 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 767811998 ZOOFFSMSKWERNO-LBPRGKRZSA-N 419.463 0.511 30 20 HCED CC(C)(C)NC(=O)N1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 770452505 PIKVTZLKNGOZTN-UHFFFAOYSA-N 421.523 0.814 30 20 HCED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782248687 WMTRHZPUDUZBEK-UHFFFAOYSA-N 404.429 0.859 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2nnn(C)n2)cn1 783005338 AJHZQMNSYGGXKB-LBPRGKRZSA-N 403.472 0.227 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 783059703 IOWGSOJRYRFZII-ZIAGYGMSSA-N 413.500 0.241 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 783244607 MHSXJGSKNRYVMI-UHFFFAOYSA-N 407.430 0.480 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 783303466 HPLAPTSQRLIKMD-UHFFFAOYSA-N 416.481 0.725 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(CCC(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783482178 VSPPNIWWYYBVHX-INIZCTEOSA-N 406.460 0.380 30 20 HCED CC[C@@]1(C)NC(=O)N(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 784860701 HJTGZBSTHOTJEN-QGZVFWFLSA-N 407.452 0.257 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787571292 UMBFHFHHNXTIHL-ZDUSSCGKSA-N 407.448 0.662 30 20 HCED C[C@@H](NC(=O)CCc1ccccc1)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 799610985 MJHXTIXQCRLVHX-GDBMZVCRSA-N 405.476 0.090 30 20 HCED C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 807704287 XYJMMAWJMTUADX-OAQYLSRUSA-N 417.429 0.886 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1=O 808222192 LAYSULQHYNSAHA-ROUUACIJSA-N 412.490 0.539 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCO1 809311761 ZJYGZCROWWZWLB-GDBMZVCRSA-N 423.429 0.752 30 20 HCED CNC(=O)COc1cccc(CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 810701886 LHBNYEAJKAAQMW-UHFFFAOYSA-N 405.407 0.870 30 20 HCED CC(=O)N1CCN(S(=O)(=O)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 813948588 KJWPNONWAOKYRH-OAHLLOKOSA-N 423.470 0.049 30 20 HCED CCOC(=O)[C@H](F)C1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 817658043 VAKOKGSUTAPKLI-MEDUHNTESA-N 411.455 0.863 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839229178 HCHBBKLXSYIYRZ-UHFFFAOYSA-N 407.499 0.719 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 914425018 FTVSMQSENFRHEM-ZFWWWQNUSA-N 423.491 0.420 30 20 HCED CCOC(=O)N[C@@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C 915392743 MMPFNSZIYDOHDR-MRXNPFEDSA-N 421.454 0.817 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)n1 921304010 NAXKODDYTZGGLJ-SNVBAGLBSA-N 407.433 0.141 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 1003119127 IKQWYHYCHLESIT-SUJAAXHWSA-N 404.467 0.110 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cc(=O)n(C)c(=O)n1C 1096147577 GHAWUJRKWXOUNU-LVJIXASFSA-N 402.495 0.287 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1301968177 KNUABKLQQVRMNT-CHWSQXEVSA-N 403.530 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NDYRCSMYNXOICS-IBGZPJMESA-N 406.508 0.774 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c1 1838584343 WWARXORSZCBCBQ-JLTOFOAXSA-N 419.503 0.955 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)F)C3)C2)c1 1838735109 WLOQZASOMNFADA-INIZCTEOSA-N 400.357 0.909 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@]3(F)Cl)CC2)CC1 1838774111 MQSFPUVYEFNCGC-KBXCAEBGSA-N 400.834 0.998 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838819742 VHIOTVANYVUMOD-JTSKRJEESA-N 419.522 0.977 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1839228680 LRJQXKYEZOWOJB-QSUXNPJJSA-N 411.455 0.275 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1839890324 UTGVPBHLGRDDOU-CRAIPNDOSA-N 403.470 0.994 30 20 HCED C[C@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1839932271 PNAULPKELHGIBG-VGOFRKELSA-N 414.458 0.725 30 20 HCED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1840029604 KQSZQUYIMCHQGS-QYWGDWMGSA-N 401.463 0.764 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840481358 QCFREJZKKSTJOB-FQEVSTJZSA-N 421.519 0.583 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCOC1)CCO2 1840536772 YQTRUFGDBPLRJE-XMSQKQJNSA-N 420.506 0.178 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812361 MVRNTPWHDJYPSB-UTKZUKDTSA-N 404.511 0.621 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842729457 KSUKHJHCHJZUEU-MRXNPFEDSA-N 403.504 0.569 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282048 VHFPGPLYVGGMBP-INIZCTEOSA-N 410.536 0.569 30 20 HCED CNC(=S)NCCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301425 NCYBEPKXMTWKKD-BTZNOAQDSA-N 411.528 0.203 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)ON=C(C)C)C1 1845253908 KKFYCHQLWORDOM-CZUORRHYSA-N 411.455 0.486 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1=O 16364958 GCWIRAZCKBPVKM-FQEVSTJZSA-N 400.435 0.781 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(N/N=C3/C(=O)Nc4cc(F)ccc43)nc2)CC1 18873910 MCGTZNKVLCYODY-UHFFFAOYSA-N 418.454 0.925 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)CN2CCCN(c3ccccc3C#N)CC2)CC1 46087047 RBZDJUFHRYWNBH-UHFFFAOYSA-N 412.538 0.303 30 20 HCED Cn1c(=O)c2c(ncn2CCN2CCCN(c3ccccc3C#N)CC2)n(C)c1=O 52801173 UQJJVGRLNRPVGQ-UHFFFAOYSA-N 407.478 0.518 30 20 HCED CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2ccccc2SCC#N)nn1 138751156 CCBGBCXAZXENNT-UHFFFAOYSA-N 402.436 0.777 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CCO1 409579875 DSVYGACEIPUEFG-SJORKVTESA-N 408.480 0.154 30 20 HCED CCN(CCNS(=O)(=O)c1cccnc1C#N)S(=O)(=O)c1cccnc1C#N 428416202 DTUVKPLNECDXAQ-UHFFFAOYSA-N 420.476 0.209 30 20 HCED CNS(=O)(=O)CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 440177173 RNVFVGVZEIAZPC-UHFFFAOYSA-N 406.424 0.651 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(S(C)(=O)=O)cc(C)c2C)C1=O 440251284 BDHKVOVUWBXNMI-INIZCTEOSA-N 407.492 0.891 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)CCOC)cc2)CC1 442301888 JCLDBAQXDKQNPB-UHFFFAOYSA-N 409.508 0.812 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 444499212 PTHDHXVJQHERRO-UHFFFAOYSA-N 416.388 0.998 30 20 HCED CCOC1CC(O)(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 447427289 QVAVJYCYXJVZHL-UHFFFAOYSA-N 417.853 1.382 30 20 HCED N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccccc2S(N)(=O)=O)cn1 460766368 CNQNEIFLYZZXQH-UHFFFAOYSA-N 404.433 0.587 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCOC)Cc1ccnn1C 460947577 GXCWJXCYJPNHGK-CQSZACIVSA-N 411.532 0.851 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 462095776 FYTDNLUXSJNYIN-OAHLLOKOSA-N 419.449 1.498 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 463512311 KTSFZXCNDXIRPA-UHFFFAOYSA-N 403.479 0.877 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2CCN(CC#N)CC2)c1 464986817 OOFCZYUOKQWJLP-UHFFFAOYSA-N 408.524 0.885 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)nc1 467995755 SHLUHLFLBYQLSF-QGZVFWFLSA-N 421.461 0.792 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CN(CC(C)C)CCO3)CC2)c1C#N 471862535 SKXKCYMJJMDPCZ-QGZVFWFLSA-N 403.531 0.789 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)c1C#N 472681406 DFEFGGMMEROXFZ-HRCADAONSA-N 412.494 0.813 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472862011 KLPBGDQPZKMONR-UHFFFAOYSA-N 410.434 0.674 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473640774 JIQQYFOUHCMIAI-GOSISDBHSA-N 418.519 0.980 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 476172017 SEFMMTQNBKSZIP-UHFFFAOYSA-N 411.483 0.842 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)Cc1ccco1 476741747 FSGQEIUJEZKZDS-CYBMUJFWSA-N 404.448 0.988 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)cn1C 483516242 PODIYUAVGLLKFV-HNNXBMFYSA-N 422.555 0.766 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)cc1Cl 500485244 IVTVVMIQCYRCSU-UHFFFAOYSA-N 409.942 0.869 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccnn2C)c1=O 502013988 IRNYWQBSBBCJMW-UHFFFAOYSA-N 415.519 0.264 30 20 HCED C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508866671 MFCCGLVNBDUKHB-CYBMUJFWSA-N 416.869 0.940 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(C)(C)CN(C)C 513468703 JIWIDVDDNLJFQJ-MAUKXSAKSA-N 413.522 0.868 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(N)nc(C#N)c2C#N)CC1 514528065 RJPZWBXNKACEHA-UHFFFAOYSA-N 420.477 0.554 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCc1ccccn1 523862346 VPJYIKGUJTWBCL-UHFFFAOYSA-N 424.482 0.406 30 20 HCED CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 526132162 OUSJLGUMGUQXFU-UHFFFAOYSA-N 415.473 0.773 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(CC(=O)NC3(C#N)CCC3)CC2)cc1 527135667 ITRLXAWFEVILTI-UHFFFAOYSA-N 419.551 0.453 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O 532265990 OTBIQFJGDTXRLW-VIFPVBQESA-N 423.416 0.931 30 20 HCED COc1cc([C@@H](C#N)NC(=O)c2ccc(S(N)(=O)=O)cn2)cc(OC)c1OC 539519361 YMTVMOZLECGADS-CYBMUJFWSA-N 406.420 0.749 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCOCC1(C)C 542335424 RKQQSRZUIYQLMY-UHFFFAOYSA-N 404.467 0.749 30 20 HCED CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 542999601 JDOLGEUXYVGRPF-CYBMUJFWSA-N 412.381 0.474 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCN(CC(F)(F)F)C3)CC2)nc1 550902359 SJLZWLNBGOEJDA-HNNXBMFYSA-N 424.427 0.602 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C#N)cc1 550971601 JJQJVRNUIPOPBR-RHSMWYFYSA-N 408.462 0.776 30 20 HCED N#Cc1ncn(CCNC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)n1 552327475 ZLXQROYORVCGJP-UHFFFAOYSA-N 417.278 0.941 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)CC1 557732439 RSZGRKYXZMBZRM-UHFFFAOYSA-N 422.570 0.923 30 20 HCED CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)nn1 572086508 DBIXXNCGABZWNU-IAGOWNOFSA-N 412.454 0.163 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 579305698 ZLYMKTOXVYYMPD-UHFFFAOYSA-N 421.509 0.397 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 580136758 MJDKQRZUNHGRCB-UHFFFAOYSA-N 403.402 0.753 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 608533198 JOMDYGMWHUDAAI-UHFFFAOYSA-N 413.522 0.779 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N(C)C)CC1 611365254 XJOXSZAVZMYEMD-UHFFFAOYSA-N 401.467 0.516 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 615254124 OJIDXEQCANWLJK-CQSZACIVSA-N 413.438 0.805 30 20 HCED C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 619647440 PKWLLJOGXHOXJY-JLSDUUJJSA-N 408.499 0.700 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OC)c2F)c1=O 619695160 NRJIFQYAEKRGPV-UHFFFAOYSA-N 419.478 0.733 30 20 HCED C#CCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 733162826 XWVXTLYLDVVLCF-INIZCTEOSA-N 417.487 0.401 30 20 HCED C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 745742083 FAJGBNJYBRNMDI-SJKOYZFVSA-N 411.418 0.501 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1C#N 747497723 JRYMBCOXCXENDU-UHFFFAOYSA-N 421.413 0.874 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 747993201 FLXMZHURAPQWQR-UHFFFAOYSA-N 400.479 0.683 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)cc1 750367435 QXHIPQACOVVQEW-UHFFFAOYSA-N 406.398 0.985 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@H](C#N)C1 754382430 AWVPFGXMQGXCKJ-YJYMSZOUSA-N 405.455 0.678 30 20 HCED Cc1ccc(S(=O)(=O)NN=Cc2cnc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] 755473124 RSOYPQZEKBSDAJ-UHFFFAOYSA-N 419.467 0.757 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)n(C)c1 755552835 OGFAWAKNBXTHLR-GXTWGEPZSA-N 403.439 0.508 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(CC)nn(C)c2CC)c(=O)n1CC=C 755618208 HCRHMUFWFVPIPU-UHFFFAOYSA-N 411.531 0.759 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 756894192 IWXDRKLIJFRZMN-KBPBESRZSA-N 421.479 0.359 30 20 HCED CS(=O)(=O)N1CCc2c(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cccc21 758300503 FYPGCJRXKNEBQA-MSUUIHNZSA-N 419.463 0.657 30 20 HCED COCCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758751312 JGKDDQCYMJSZQK-JKSUJKDBSA-N 423.514 0.930 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 761022647 BPZVECVTUHFCAE-GFCCVEGCSA-N 402.879 0.891 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CC1 763453862 OTCQKEGIWNMERR-UHFFFAOYSA-N 400.504 0.629 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc(S)n1C1CC1 765428533 XZYFJZPXBOCPFY-JTQLQIEISA-N 406.493 0.757 30 20 HCED COc1cc(C#N)ccc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 766914940 YDSVWBDEGPLKPR-MRXNPFEDSA-N 413.521 0.201 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCOc2ccc(/C=C/C(=O)OC)cc2)CC1 767333385 SSODJVYYIWLTGW-RMKNXTFCSA-N 407.492 0.337 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 767674851 GGRUHIRAQWPBPL-SGTLLEGYSA-N 404.448 0.577 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)[C@H]1CCCO1 773791900 OTTUWIXGKJTAKE-JKSUJKDBSA-N 407.492 0.999 30 20 HCED C#CCCN1CCN(c2nc(C)c([N+](=O)[O-])c(N3CCN(CCC#C)CC3)n2)CC1 774529034 LKTCFWZDSZNIII-UHFFFAOYSA-N 411.510 0.984 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)c1 775209935 QAPKUEIWGUSTEC-HNNXBMFYSA-N 407.492 0.308 30 20 HCED COCC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(N)=O 775988988 RHKPLFLQNJIMRR-PKJRHQKLSA-N 411.484 0.511 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3ccc(F)cc3F)C2)c1=O 777570903 YQRURQMNHDHRNN-QGZVFWFLSA-N 420.416 0.853 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)c1cnn(C)c1 778405317 ZIDKAGTWWTWAMJ-HOTGVXAUSA-N 419.507 0.867 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(C(=O)NCCC)c1)[C@@H]1CCS(=O)(=O)C1 783476537 WFHAGBKRLILZEG-MRXNPFEDSA-N 405.476 0.414 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 784822283 JNWYFWDCRQLWAN-QGZVFWFLSA-N 418.469 0.299 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cccc(OCC#N)c1 785285774 NNOUOACNOHCTBJ-WCVJEAGWSA-N 415.402 0.479 30 20 HCED C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n1 788826025 AHSHQXJCOLSDMJ-UHFFFAOYSA-N 406.464 0.793 30 20 HCED COc1c(O)nc(O)nc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789960670 RZZQHDXWANKBNQ-MTJSOVHGSA-N 421.435 0.962 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 799288004 VRJGDEVKKWQKPX-QGZVFWFLSA-N 421.519 0.999 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CC(NS(C)(=O)=O)C2)[C@H](C#N)C1 802291675 BFCMJGVJCRAPBI-IKWCTNDRSA-N 401.489 0.125 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2C[C@H](OCC)C23CCC3)n1 807607885 LXMWVUARPHVVIZ-MSOLQXFVSA-N 402.495 0.955 30 20 HCED CC(C)(C)OC(=O)NC[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CCO1 808748601 VJOZRKJEYZRHRO-OAHLLOKOSA-N 410.496 0.952 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C 815860476 MZIVIVROJCGGRC-UHFFFAOYSA-N 404.467 0.415 30 20 HCED CCOC(=O)C(=O)c1cc(S(=O)(=O)Nc2nc3n(c2C#N)CCS3)cn1C 820799279 IDZLDVOPDFZNQK-UHFFFAOYSA-N 409.449 0.746 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)NC1CCCCC1 821701795 MFBCJKNEJPTSQK-UHFFFAOYSA-N 422.463 0.427 30 20 HCED C[C@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 825293261 QBGRDVMOAYUVSI-MFKMUULPSA-N 408.885 0.877 30 20 HCED Cn1c(=O)c2ccc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)nc2n(C)c1=O 913373916 FRNCWDNSPVMEKC-UHFFFAOYSA-N 421.413 0.736 30 20 HCED COC(=O)C1CCN(CCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 915649032 MORXDZGXRBUTLJ-UHFFFAOYSA-N 422.507 0.116 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1cccc(OCC#N)c1 1116127414 ZJCIRPSYSUTZAA-ZDUSSCGKSA-N 405.480 0.923 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCn1ccc(C(F)(F)F)n1 1288482137 WFLVQXYVJSOHSA-UHFFFAOYSA-N 401.370 0.757 30 20 HCED CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1292268540 UYYCDMDGYYSINZ-DOMZBBRYSA-N 402.496 0.881 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1ccn(C)n1 1303828573 OBYSUKPDLKGRSH-AWEZNQCLSA-N 420.543 0.995 30 20 HCED CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC1CC1 1314391109 SALIMCQMNSULIU-UHFFFAOYSA-N 424.509 0.934 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1315048662 RESFFZKZRZRMFN-MRXNPFEDSA-N 416.507 0.966 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1315427660 YQFHPBWCWIOVSA-MRXNPFEDSA-N 420.495 0.574 30 20 HCED C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N(C)C1CC1 1510058385 KKBSHEFSTVBUEL-FMKPAKJESA-N 408.528 0.392 30 20 HCED CS(=O)(=O)c1cccc(CS(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 1561220208 NKCHTADNKLJVAZ-UHFFFAOYSA-N 415.537 0.468 30 20 HCED CCOC[C@@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1661281131 YSLBXYAEUYDSDL-OAHLLOKOSA-N 415.537 0.867 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1C#N 1663819942 MHBRFTLYIXQWDN-ZDUSSCGKSA-N 418.468 0.827 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(Cc3nc[nH]n3)CC2)c1 1670165922 NWPRYWLJDNPZDE-UHFFFAOYSA-N 411.285 0.945 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682384694 JGPGSUOZCAFMKR-MSOLQXFVSA-N 406.508 0.634 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1691006496 MJRCITYEAFGZGQ-INIZCTEOSA-N 422.493 0.971 30 20 HCED CN1CC[C@@](O)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1696876080 KOTWCDZZYDHERZ-UTKZUKDTSA-N 409.494 0.804 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)CCC1 1778714075 LQPQIHFWHOIXCQ-QFIPXVFZSA-N 422.441 0.959 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1778966891 ABWAUQBMSFGURW-VGSWGCGISA-N 421.538 0.792 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1(=O)=O)CCO2 1779139019 JBYBYSLRPVQLDZ-ONESAOPHSA-N 423.491 0.106 30 20 HCED O=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=N/N3CCCCC3)C2)C1 1779365295 RKXLTCVNIUGWRQ-MHTGZXFVSA-N 404.511 0.951 30 20 HCED CS(=O)(=O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1 1780408393 QVMRWWSHZVFNGK-YLJYHZDGSA-N 419.503 0.730 30 20 HCED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781398726 XCKIVBRUMOXIRT-KSSFIOAISA-N 413.544 0.101 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C(=O)O)ncn1)C2 1782181044 OBBCGOAWWQCPGU-UCMVZMLTSA-N 408.480 0.621 30 20 HCED Cc1nn2cc(CC(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H](C)S)C4)C3)nc2s1 1783886253 ODQBYRDYRVHLKH-DIFFPNOSSA-N 409.537 0.790 30 20 HCED C[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21)n1ccnc1 1784253692 ODTWDDVVESLHMM-XSLAGTTESA-N 416.526 0.706 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1784441877 KFUHDOLMNZKODQ-ZTWVJJDTSA-N 415.494 0.441 30 20 HCED CN1CC(C(=O)N2CC[C@]3(CN(C(=O)c4n[nH]c5ccc(C#N)cc45)CCO3)C2)C1 1784784323 KACFADFSZCNBTK-OAQYLSRUSA-N 408.462 0.440 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1785443275 MITWJZAUGAUGOX-RZBRSOPZSA-N 421.542 0.593 30 20 HCED Cn1nncc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1785461696 JZBCIWVTFDEHTM-BJLQDIEVSA-N 422.489 0.913 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1785730080 ZICVTVSRVYJKHT-QRWLVFNGSA-N 422.482 0.366 30 20 HCED COc1ncc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1C 1786270948 JQEWZBXVVSBHGJ-BPUTZDHNSA-N 401.419 0.080 30 20 HCED C[C@@H](CN)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1786790363 MGZLNVXHPUKAOC-XPYUAMARSA-N 400.479 0.512 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1788755746 SMJIWNIGPQWWFV-XAJHFOFHSA-N 408.499 0.458 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788889496 RNDNUXJZFXMWLR-OQUILHJVSA-N 402.451 0.980 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789800439 BETYBGIJQHZKJU-TUFLPTIASA-N 418.582 0.796 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnn5c4OCCC5)[C@H]3C2)c1 1790371790 BGTFABFRZBOXOA-ZVZYQTTQSA-N 424.461 0.772 30 20 HCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2CCC(=O)NC2)C3)cc1 1792422428 VHRQSFRLADBNSC-NXWNEQKCSA-N 424.501 0.607 30 20 HCED CNc1nsnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1792481363 RGOXKWVTLHMLAZ-SCAQPMJSSA-N 411.487 0.835 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1F)C2 1792489750 OPICPWJLRONMMB-YUBWNGLZSA-N 401.438 0.887 30 20 HCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(C#N)cc1)n1ccnn1 1792559239 RJRIHBSUFYEKQS-DEYWJSPQSA-N 408.462 0.543 30 20 HCED C[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2)n1ccnc1 1793141847 ZTDIPLMCJOYWIV-WCXIOVBPSA-N 402.499 0.316 30 20 HCED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)C2 1794072270 XTVBKLJIHWTAAY-BCDXTJNWSA-N 408.568 0.708 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1OC 1794372501 JBZFGZGKGXSMSS-XGUBFFRZSA-N 404.467 0.262 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796397176 KCCVXAVJDSEXIX-ZMMAXQRCSA-N 404.536 0.460 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]c1[N+](=O)[O-] 1796403213 DCQPORKSMOBCHM-AGGWBTHJSA-N 407.427 0.504 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(c1)CNC2=O 1797548379 SUHVBKPKPBDTTL-UEILYKACSA-N 411.458 0.172 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797981839 DASDPJSDWBVLLR-PNBKFKSVSA-N 416.478 0.167 30 20 HCED O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1)[C@H]1CCCS1(=O)=O 1798433442 KKVZYHMFLBSMOP-WGADGILLSA-N 410.540 0.674 30 20 HCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2[nH]cnc(=O)c2c1C 1798466731 QVIBPJKSLOIVEH-JJAZEVLHSA-N 413.478 0.746 30 20 HCED Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863271 PZEAUGNFDIAZBP-IZZQQSIFSA-N 406.442 0.983 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(C#N)c1 1799602078 PBSSIPZJOYVZKX-DFGXFYAUSA-N 400.435 0.875 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(O)nn1 1800179533 XSIWZCDRPMUZOS-MVWRLGRASA-N 418.494 0.278 30 20 HCED CN(CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C#N)ccc1F)C2)C(=O)C(=O)O 1801330372 AWQZDBXOIZAOAS-BTTYYORXSA-N 416.409 0.492 30 20 HCED CS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)c1 1801989979 HILKFTMLCJPFPY-CLLJXQQHSA-N 422.434 0.569 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnc(Cl)nc2)[C@@H]1c1cccnc1 1802300758 KWFZNBQBKBUTJV-GUYCJALGSA-N 413.821 0.933 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2nccn2C)[C@@H]1c1cccnc1 1805887073 QHESTOJKQPHHSG-HTWXZYLJSA-N 422.489 0.993 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806852744 PYXZZEMTCSSKQC-FGTMMUONSA-N 413.478 0.542 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)c3cc(O)nc(O)n3)[C@@H]2c2cccnc2)CC1 1808297784 SPOBAZPTHNMECG-BBRMVZONSA-N 408.418 0.906 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1810247418 XNMILZWGEGRBNR-VYDXJSESSA-N 402.499 0.144 30 20 HCED C#CC(=O)NC[C@@H]1CCN(C(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]1c1cccnc1 1812528930 GARDQNSKBDQHRM-SCTDSRPQSA-N 401.419 0.215 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812883347 YUCIDNVZGADDQG-ABSDTBQOSA-N 414.462 0.480 30 20 HCED CN1CCN(CCC(=O)N[C@H]2CCc3nc(NC(=O)CCC#N)sc3C2)CC1 1814492590 BHEVJVWWRCYEDK-AWEZNQCLSA-N 404.540 0.996 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CNC3=O)n[nH]2)CCC1 1815602352 OLDFOLXCRPMLMZ-ZDUSSCGKSA-N 413.438 0.647 30 20 HCED CN[C@H](CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cc(C#N)c[nH]2)[nH]n1)C(=O)O 1817371711 NAFLAPYKMPDORA-HUUCEWRRSA-N 413.438 0.978 30 20 HCED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](O)N2CCOCC2)n[nH]1 1819443228 QJMSSPWTCCFNLW-HNAYVOBHSA-N 423.539 0.972 30 20 HCED CCc1[nH]nc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1F 1825664494 YXMFOORZIMVQCJ-QMMMGPOBSA-N 405.411 0.882 30 20 HCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1826415815 LOFUSXLCIKPACR-LBPRGKRZSA-N 417.491 0.801 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cc(C)cn3)C2)C1 1831437881 JNHPHERQGKXJGF-UEXGIBASSA-N 420.510 0.800 30 20 HCED CCC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H](S)C(C)C)CCO3)C2)COC1 1831495968 PUPPGPQBEKSJJQ-KXBFYZLASA-N 400.541 0.824 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2C[C@@H]2F)CCO3)c1 1832127022 PRRIRDWCZBVDCF-LVCYWYKZSA-N 417.437 0.995 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(CO)CC3)CCO2)C1 1832514108 KTLUYLBWHHGVRU-SQOVAUKPSA-N 424.538 0.833 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CSc3ccncc3)CCO2)C1 1832712901 OKEAKGRZCRHMKL-KSSFIOAISA-N 411.549 0.948 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832930915 QJIAZBLKHGCYGP-KRWDZBQOSA-N 414.409 0.588 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833149544 PUKTVJWSCJWVRR-SFHVURJKSA-N 421.542 0.259 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833169429 RKXWCHMRHFKDNJ-UZLBHIALSA-N 419.482 0.276 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncc(N(C)C)c1)CCO2 1833367830 HLNKDBDAIUNGGT-NRFANRHFSA-N 400.479 0.631 30 20 HCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1834518314 SEGYAXNDKKEMLE-UHFFFAOYSA-N 420.517 0.901 30 20 HCED CCC(=O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834717080 MKNYUSLFTMLAIP-UHFFFAOYSA-N 405.543 0.819 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834755710 JRCVKKVCXKUDGN-YWZLYKJASA-N 424.498 0.517 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)C1 1834764766 ABWGPAFHYKPHDF-GOSISDBHSA-N 404.379 0.284 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834768613 GCFWRJLWJAMTIF-KUHUBIRLSA-N 410.471 0.270 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)CNC(=O)c3ccco3)CC2)CC1 1834869571 VPLPKOZTEALGQZ-UHFFFAOYSA-N 414.506 0.994 30 20 HCED COCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834971603 WQBQZQDIGMZEBC-PXPVJAHISA-N 408.476 0.590 30 20 HCED CCOc1ncccc1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835351048 IENFJBIJAMWMSC-HXUWFJFHSA-N 402.451 0.854 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1835359013 QZDQLFKLEXZJEJ-OAHLLOKOSA-N 416.360 0.197 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835667724 NITXTUWGVQRSCI-FQEVSTJZSA-N 405.499 0.274 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3nccnc3C(N)=O)CC2)CC1 1836051602 RNGANDRARRBIBY-LBPRGKRZSA-N 420.539 0.079 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1836881464 XSFCZXADMHBERE-QGZVFWFLSA-N 420.597 0.984 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2)C(F)(F)F 1838377342 XLQWJXARCOBUQH-INIZCTEOSA-N 416.356 0.371 30 20 HCED C[C@@H]1C[C@@]1(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839091044 TXAAMPYZAGOVHB-MUAFAOBHSA-N 406.527 0.961 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839227747 XMDDBBBHMLBHGM-UZLBHIALSA-N 420.466 0.191 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840158704 PCSOJKFEIVPTAZ-MEDUHNTESA-N 400.888 0.518 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1840167918 VRTVYTWDGVMACA-NRFANRHFSA-N 418.494 0.403 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(=O)OCC)C2)C1 1840170951 FNPTYTHKGAHFEH-NRFANRHFSA-N 408.495 0.836 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H]3CCOC3)CCO2)C1 1840585335 FULBBQHFEUNERQ-LVCYWYKZSA-N 410.511 0.851 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840599485 SLLIQKHOLFAVPJ-NMTVZFJBSA-N 404.511 0.715 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840816543 ZOCCSIKDVPYEHH-LAUBAEHRSA-N 415.494 0.903 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1840843542 UGQBHJPUKAJHHR-OAQYLSRUSA-N 423.510 0.769 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1nc(O)n3c1CCCC3)C2 1841054891 PHPBSLXWWOKJIV-FPLPWBNLSA-N 413.478 0.600 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)c(Cl)c1 1845487414 SSWREKMNJKTYHD-CQSZACIVSA-N 415.837 0.627 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1846827338 YXCSBLFETIKRQG-BBRMVZONSA-N 409.446 0.729 30 20 HCED CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@@H]2CCCCO2)CCC1=O 1848044902 XIJVSGBAJGUDNG-NOJGIGLISA-N 405.455 0.325 30 20 HCED C#CCNC(=O)COC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 18628781 ZFHCGOZPTOIYOE-CQSZACIVSA-N 414.867 0.166 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 29191662 BDKMSJOSRAIVOK-AWEZNQCLSA-N 414.509 0.032 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)CSCC#N)CC2)c1 41785957 KNOAFWBHCGPZLA-UHFFFAOYSA-N 403.507 0.624 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1 47406400 UIUAFOJZXLXLCY-UHFFFAOYSA-N 411.506 0.973 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)CCO1 409498812 FWDKYTBPNKCVNA-ZIAGYGMSSA-N 418.397 0.647 30 20 HCED COc1cc2c(c(OC)c1OC)CCN(S(=O)(=O)N1CCO[C@H](C#N)C1)CC2 409502098 RHJFVRWGSFRFGU-CQSZACIVSA-N 411.480 0.582 30 20 HCED CCOC(=O)[C@@](C)(NC(=O)Cn1cnc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 435974789 VKJHCRHINBYRAA-KRWDZBQOSA-N 405.436 0.148 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1=O 440283949 QIEPTJJPEBGISM-KRWDZBQOSA-N 415.494 0.738 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 441957749 OYQURWWKFUNXRJ-ZDUSSCGKSA-N 401.513 0.813 30 20 HCED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 470554177 WGXONPQJIKLWKD-NVXWUHKLSA-N 415.475 0.690 30 20 HCED C=CCn1c(O)nnc1SCC(=O)N(CC)c1c(O)nc(=O)n(CCCC)c1N 470822394 SXLYBDGYZJMLOD-UHFFFAOYSA-N 423.499 0.960 30 20 HCED Cc1nn(C)c(N2CCN(C[C@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)c1C#N 472162491 YVWOGZKMUZZJJR-KRWDZBQOSA-N 423.477 0.600 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@]2(CCO[C@H]2C)C1 472939083 YMSMFWXYFHCMJA-VBKZILBWSA-N 410.434 0.792 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nc1 484765784 SNZPDTFYFZITFB-LBPRGKRZSA-N 416.467 0.394 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486640889 TVNLLQINNRVURE-CYBMUJFWSA-N 420.472 0.881 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2C)CC1 490405473 DRYRUDSQBXQELX-MRXNPFEDSA-N 415.494 0.491 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(C#N)ccc1F 500794538 SWMOCNQQHAAESN-AWEZNQCLSA-N 417.484 0.152 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)co1 504193471 HZEWKOCLTITXIZ-OAHLLOKOSA-N 402.432 0.985 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CC1 505118712 FMYLXICJKSXDAZ-CYBMUJFWSA-N 400.464 0.314 30 20 HCED Cc1cc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(C#N)c1 506199857 SFDQTVBTSSJHFN-CQSZACIVSA-N 415.475 0.428 30 20 HCED N#Cc1cccc(-c2nnc(NS(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)o2)c1 508215117 NVNDKMZCDPFOMC-UHFFFAOYSA-N 410.371 0.939 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 508429868 NUFWQZHSQYHONL-CQSZACIVSA-N 420.491 0.968 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514032764 LCOABNYUPJPUGT-KSMMKXTCSA-N 417.491 0.465 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)C1=O 520536397 DXMJZLRDOGIMFS-LBPRGKRZSA-N 422.463 0.091 30 20 HCED CN(CC(=O)N1CCC[C@@H](N2CCNC2=O)C1)S(=O)(=O)c1ccc(C#N)cc1 521034507 RWCUSSKJBZCTAI-OAHLLOKOSA-N 405.480 0.195 30 20 HCED COC(=O)[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 521271749 NNNSKBJDAYFPPL-INIZCTEOSA-N 423.491 0.743 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C)cn2)c1=O 531630166 ODXTZBKRTDOROC-UHFFFAOYSA-N 400.504 0.677 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1 531722047 ALTODWZKZUSOBN-HIFRSBDPSA-N 422.507 0.592 30 20 HCED C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)OCC 534401477 IXRUCXPMVAUJNT-ULQDDVLXSA-N 403.545 0.856 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl 544709981 NUJVXCICIVPIGH-UHFFFAOYSA-N 414.915 0.623 30 20 HCED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 549633879 FAHODQZTMOOHNF-UHFFFAOYSA-N 409.494 0.767 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 550309491 VWFQVLPVLOSOIU-UHFFFAOYSA-N 406.446 0.877 30 20 HCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)Nc3ccc(C#N)cn3)cc2)CC1 550719609 YWFFIZXJYRHXFS-UHFFFAOYSA-N 406.446 0.847 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)ccc1Br 550780937 PAOAHMBLHUMYJB-UHFFFAOYSA-N 408.212 0.317 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1 553182195 URMFBKGQLXEMGZ-AWEZNQCLSA-N 401.510 0.257 30 20 HCED COC(=O)COc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 556950945 AFKMIWKXLBMOJS-UHFFFAOYSA-N 411.480 0.475 30 20 HCED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 559723329 SORRYSYUQZMPNN-QGZVFWFLSA-N 411.506 0.720 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](c4ncc[nH]4)C3)C2=O)cc1 561377331 WHLNGRXNINGVAD-ROUUACIJSA-N 420.473 0.905 30 20 HCED CC(C)(C)[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 574615075 YQQAPZKMOYUWFG-HNNXBMFYSA-N 401.510 0.924 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 577788063 RKHVEGLQJYJLNW-GXTWGEPZSA-N 408.340 0.992 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCn2cc(CO)nn2)cc1Br 582636167 FSAKXHRSCOOBFJ-UHFFFAOYSA-N 407.228 0.550 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 604030019 CGVNLKNWVJFMOY-UHFFFAOYSA-N 410.471 0.949 30 20 HCED C=CCCOCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 604436575 ZJWDIDKJEVMQPU-UHFFFAOYSA-N 402.494 0.960 30 20 HCED COc1ccc(CNC(=O)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 604446644 UDSJFFYHYIZAJK-UHFFFAOYSA-N 415.471 0.914 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)NS(C)(=O)=O 611602627 YEDAEIRTSMTXPX-UHFFFAOYSA-N 422.442 0.266 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 615609316 TTXAXADTUOUTJT-SFHVURJKSA-N 408.455 0.617 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nc(N3CCCC3)ncc2Cl)CC1 729257254 YJOQCJVPBCMDRP-UHFFFAOYSA-N 404.902 0.628 30 20 HCED N#Cc1cccnc1NCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 732061156 CVOYEECXJCVQAN-QGZVFWFLSA-N 400.483 0.195 30 20 HCED CC1CCC(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)CC1 732911234 ZUYZTTJANOVQCY-GRAKBVBRSA-N 409.508 0.379 30 20 HCED O=C1NCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1cccs1 742847561 OXGFCTXWZTYQNA-OAHLLOKOSA-N 404.473 0.486 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNc3ncccc3C#N)n2)cc1 749636135 WRSKDAVREFBQLM-UHFFFAOYSA-N 415.417 0.632 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c1 755196798 BMOIENNHEOIMTI-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(OCC#N)c1 757293783 PNOXOSUJPYMLBM-CQSZACIVSA-N 405.418 0.926 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 757589631 GPLWIPROJWXMEI-NWDGAFQWSA-N 414.509 0.902 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3ncccc3c2)c1=O 758050166 OGHKLFPMLQEYLP-UHFFFAOYSA-N 400.463 0.873 30 20 HCED Cc1ccn(CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c(=O)c1C#N 758198307 OFPASOXCKCRZNP-UHFFFAOYSA-N 412.475 0.869 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C#N)ccc2O)s1 759714125 UUCIQETXOYJEQZ-UHFFFAOYSA-N 408.461 0.878 30 20 HCED CC#CCN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 762512557 RDFDENDCMIWOGA-UXPDKRSESA-N 408.505 0.293 30 20 HCED CCn1c(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc2ccccc21 771890057 MSPCJHCCGCHKGX-UHFFFAOYSA-N 404.452 0.156 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CCC)c2=O)cn1 772275217 AIBXMYDUCGFGRW-ZDUSSCGKSA-N 401.492 0.271 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCCN3CCCS3(=O)=O)C2=O)cc1 773159463 MKCVRLUESASRKY-OAHLLOKOSA-N 420.447 0.342 30 20 HCED C#C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 775346419 JFFPSIYHCGUEKI-RTBURBONSA-N 405.520 0.598 30 20 HCED N#CCn1c(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc2ccccc21 778113508 AZHKPLGHRGBCGQ-ZDUSSCGKSA-N 418.431 0.335 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 778455797 BIJPHKLNQXSYBP-OCCSQVGLSA-N 409.464 0.294 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 780745807 SLESPVFBIYTLFJ-UHFFFAOYSA-N 418.435 0.875 30 20 HCED C[C@H](C#N)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 781946317 YYOBVSOULSOKOG-GFCCVEGCSA-N 418.497 0.250 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 782785619 ZFILNAPPYIKOTM-UHFFFAOYSA-N 413.276 0.644 30 20 HCED C#CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 784606870 OIUBXOXOXOJCPZ-UHFFFAOYSA-N 408.476 0.625 30 20 HCED COC(=O)Cn1ncc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 793852403 UJIYEXPYRBTMKO-NSHDSACASA-N 419.463 0.820 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NCC(=O)NCCC#N)c1 795046186 LREUDHWUFSAJOL-UHFFFAOYSA-N 423.539 0.995 30 20 HCED C#CCC[C@@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 799080034 XUTIDNHCHGSSIY-MRXNPFEDSA-N 422.503 0.764 30 20 HCED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC[C@H]1NC(=O)OC(C)(C)C 805062157 ZQGZDBBILZVPFL-GDBMZVCRSA-N 407.515 0.852 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNc2ncccc2C#N)n1 810357456 VXVLHGMGXRNOOS-UHFFFAOYSA-N 401.390 0.572 30 20 HCED NS(=O)(=O)c1ccc(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1 811643240 YRDPBSVRDPPHJI-UHFFFAOYSA-N 424.504 0.801 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)c1 813982488 KZPJTNQVAPUFAA-UHFFFAOYSA-N 406.445 0.612 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 815829666 CAYHUIPIAMOCBV-OAHLLOKOSA-N 401.398 0.724 30 20 HCED COC(=O)C1CCN(S(=O)(=O)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 815920044 XJDYSIMQJQERMV-UHFFFAOYSA-N 420.369 0.832 30 20 HCED Cn1nnc(Br)c1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816127702 FPDZWTYWOSYDGS-UHFFFAOYSA-N 415.185 0.476 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cc(C)nc(N2CCCC2)n1)c1cc[nH]n1 817031612 ICIOBPSGKXWKEN-UHFFFAOYSA-N 415.454 0.709 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 854019715 XWTFVNMFQZMOLY-DZGCQCFKSA-N 405.476 0.821 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)NCCNc2ccc(C#N)cn2)cc1 916228858 MPQYXQKGUSXZJK-UHFFFAOYSA-N 402.480 0.914 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cn(C)c(=O)nc2O)cc1OC 916923265 JMORGZOKUVHGCN-LBPRGKRZSA-N 400.391 0.184 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1CCOC 920394756 CNUIKYOYSFXGIZ-UHFFFAOYSA-N 420.560 0.994 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1ncn(C)c1=O 996930305 FRPOUDGYJIKCGM-IMPIEMTGSA-N 403.483 0.201 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cn2nc3n(c2=O)CCCCC3)CC1 1248616588 FBMFIECBLHZXOH-UHFFFAOYSA-N 411.466 0.857 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)n1 1304485340 IMJPMAOKZVIOGC-CQSZACIVSA-N 402.480 0.955 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)c1N 1318237495 VPCYOLDEYQQTPA-KRWDZBQOSA-N 414.491 0.271 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 1320283770 ZFIAJZFZEHNNMX-UHFFFAOYSA-N 409.512 0.183 30 20 HCED C[C@H](NC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nncn1C 1337026951 YRZQCFRHOOALNY-HOCLYGCPSA-N 421.465 0.717 30 20 HCED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 1352007732 DZBFWGAGOGRQFY-KGLIPLIRSA-N 417.557 0.274 30 20 HCED CC(C)(C)NC(=O)CN1CCN(C(=O)Cn2cc(C#N)c3ccccc3c2=O)CC1 1459174376 OQSCRVPHRUMTJI-UHFFFAOYSA-N 409.490 0.932 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)CC1 1560136610 YGDXKOFUSKPXPB-QZTJIDSGSA-N 423.558 0.592 30 20 HCED N#Cc1cc(=O)n(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cn1 1614570252 NZMQFVJABIJPPU-UHFFFAOYSA-N 415.475 0.606 30 20 HCED N#CCC1(O)CN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1617444722 YGWTZIHEKYBRMU-UHFFFAOYSA-N 418.519 0.711 30 20 HCED Cn1nncc1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1618495776 UDJKTXYKRMWYIY-KRWDZBQOSA-N 415.458 0.888 30 20 HCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1618583936 XVSLCWFGKHCCBU-HXUWFJFHSA-N 405.466 0.956 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCc1c(C)nn(CCC#N)c1C 1626149288 RHIVFUZPSVULPS-QGZVFWFLSA-N 419.482 0.253 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 1626657935 JBCBDMYNSQNNHQ-YCPHGPKFSA-N 414.553 0.468 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC2(C#N)CCOCC2)C1 1637326949 UQCDRNMYNRJFIO-HNNXBMFYSA-N 409.512 0.864 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1696092649 OTFAAPIBJJUUTA-YOEHRIQHSA-N 413.500 0.094 30 20 HCED Cn1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)n1 1696862552 QODGSUGKFXPVNO-OAHLLOKOSA-N 403.512 0.896 30 20 HCED CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710985805 MEJUHHBAFOKHFL-UHFFFAOYSA-N 420.481 0.360 30 20 HCED Cn1ncc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n1 1729605968 YYFBQZLAHCYCGG-CXAGYDPISA-N 422.490 0.383 30 20 HCED COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1748319804 VUEJKJJYYNIJKI-KRWDZBQOSA-N 424.461 0.675 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 1749829023 ORYYYYDERCKQTE-UHFFFAOYSA-N 421.527 0.870 30 20 HCED CC(C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750535783 XOUBDMNSVDUVBX-HIFRSBDPSA-N 408.528 0.128 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCC4)C2)C1 1778665546 QPWWCZQGXNXFMD-RMUOZIPVSA-N 413.478 0.131 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1778968928 ZNJGBYDWGZGBOK-QRWLVFNGSA-N 406.483 0.445 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1C 1779016104 MSZLIRDZNPSYBQ-TTYLXTBDSA-N 402.499 0.644 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1779098974 NJHXQMGQVFNGMD-LFQSBUTJSA-N 408.499 0.441 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)c1 1779101462 PZGXMQFBYDNWLC-DOXZCSRISA-N 404.467 0.998 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)no1 1779123752 DIDBSKMXBUODPP-HXUWFJFHSA-N 415.450 0.237 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)c1 1780332015 INBQEAMIIKTJHN-SFHVURJKSA-N 413.394 0.135 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781400831 XMZPOZLXQINCMP-VKJFTORMSA-N 401.529 0.731 30 20 HCED Cc1ccc(C(=O)C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782015726 WZOVLYCFDAYVBD-VGOFRKELSA-N 412.442 0.780 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1782183975 HKDJAWWBSMASKM-VNBZBWLYSA-N 407.496 0.021 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782953306 MGXAUSFPCMRGBP-APWZRJJASA-N 414.524 0.376 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1783894354 JKRFUNOYQRMAQI-JNAXZKDPSA-N 402.520 0.901 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)S)C2)C1 1783898322 XMDGYLICPBNWPF-GJMQRNRVSA-N 407.492 0.905 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783914222 RWPAYCNAUQMQNE-FOIQADDNSA-N 411.499 0.668 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)COc3cccnn3)C2)C1 1784459624 UHMCISAODLGZCZ-YUSOBQLHSA-N 413.434 0.397 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3c(F)ccnc3Cl)[C@H]2C1 1785483276 DAUBSDSPAPQASA-GVXVVHGQSA-N 409.801 0.555 30 20 HCED Cc1nc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)co1 1786055807 WVZIFUPLYATMRR-ZOBUZTSGSA-N 403.483 0.858 30 20 HCED C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CN(CCO)CCO)CCC2)cc1 1786373867 PRPNAOVTVJUFGN-QGZVFWFLSA-N 419.522 0.998 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3ccnc3)C[C@@H]21 1788570446 SQYJKSLGRINZAD-FPSMNIFISA-N 404.511 0.997 30 20 HCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN4C(=O)C=CC4=O)C[C@@H]32)cc1 1789575193 ZXWJOZVRUJZDOB-BZSNNMDCSA-N 422.441 0.077 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)[nH]n3)C[C@@H]21 1789890805 RABGYQUFNDPCNB-ZOBUZTSGSA-N 404.467 0.821 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21 1790878991 TUDKOJPTAZAYCL-IHRRRGAJSA-N 411.405 0.103 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C[C@@H]21 1791076503 HZZYZMUNECCWSR-QRTARXTBSA-N 414.414 0.139 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21)n1cnnn1 1791688942 QNSZKWCSEKNHFA-QCSYZSNVSA-N 409.450 0.399 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CC(=O)N(C3CCCC3)C1)C2 1792629537 YLNMHGRNNZWWNA-GGXPGOJBSA-N 416.522 0.917 30 20 HCED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#Cc2ccccc2)C3)nn1C 1793129806 QRTLBYDNEBXVJU-BBIADKPPSA-N 406.486 0.912 30 20 HCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(n1)NC(=O)CC3)C2 1793259248 RBAFURUBDQBZTO-CWPLJXCYSA-N 408.458 0.583 30 20 HCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)C2 1793261976 WRGVPHODWJLSCX-AKEUIGTLSA-N 419.481 0.899 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC=CC[C@H]1C(=O)OC)C2 1793360487 PQBWVROMCZDXBO-RPVYPSMYSA-N 420.506 0.923 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N 1795082000 XDVUJIYUUMENEF-LBKYZSNHSA-N 424.473 0.837 30 20 HCED CC#CC[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N)c1ccccc1 1795539017 BJOFRPIMIXWNSR-AJYBTWMASA-N 411.506 0.256 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602617 SZZIJHXYSLXKFD-OWLYRPNTSA-N 416.526 0.624 30 20 HCED CC[C@@H](C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797781138 YPSPEKTZIMOJGW-VROUVPMXSA-N 406.523 0.682 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CC1(F)F)C2 1797811890 HOLBZSGLGMLCKQ-ZJPBWPGXSA-N 401.410 0.760 30 20 HCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnncc1C(=O)O 1798103450 PLPAEOYYFLHFIZ-ZSBFGKGUSA-N 400.435 0.572 30 20 HCED Cc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1798278200 ODWLVKSIZWFAAK-DLUMSKLASA-N 400.483 0.460 30 20 HCED C[C@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1799293457 SJYQYMOHKOMWHY-DPYKFYPSSA-N 404.854 0.549 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)n1cccn1)C2 1799305382 FAVSRWHIPWMWHU-CUSZFKRNSA-N 404.467 0.543 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccnc3c1OCO3)C2 1799393073 SQQKRBKYOFCYSD-HGTKMLMNSA-N 418.450 0.814 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)ON=C(C)C 1800219558 LJTYVELHIAZSAI-NPJQDHAYSA-N 416.544 0.753 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cnc(O)nc3O)CC2)C1 1806004675 RMRUTEYVDRFIAS-CQSZACIVSA-N 402.451 0.771 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815062639 NVHGLBLFFQKRTF-GYSYKLTISA-N 423.539 0.221 30 20 HCED CN1CCN(CCC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)CC1 1817156635 ZUKLEONBVGCYOG-INIZCTEOSA-N 416.482 0.127 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669949 AZLZYHWTJUBLQU-JTQLQIEISA-N 419.463 0.440 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H]2CCCS2(=O)=O)n[nH]1 1821837151 XEMDVNZNVUGKHF-CHWSQXEVSA-N 408.436 0.067 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824529623 SBRAUUBFCKJURS-STQMWFEESA-N 415.475 0.350 30 20 HCED C=CC[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CC2 1825116162 RGNAJUCVBBHYDO-QWRGUYRKSA-N 405.480 0.819 30 20 HCED CCOc1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nn1 1825669535 MUAPINHMGPVGTI-JTQLQIEISA-N 415.431 0.646 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1830057659 JWJJEAKTBRWINN-OAQYLSRUSA-N 415.494 0.839 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cccnc4n3)C2)C1 1830058341 WMWLQNSTBYSKLA-HXUWFJFHSA-N 412.450 0.349 30 20 HCED O=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1)C1CC1 1830599537 XHLLRUCCDIJDBP-QFIPXVFZSA-N 418.490 0.121 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1832451469 DQJIXRZKBMSKNZ-FQEVSTJZSA-N 424.567 0.644 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n1 1833096661 XZCNICFTTTZEGS-FQEVSTJZSA-N 401.467 0.342 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833426842 RVWARNLEDGOLTB-QGZVFWFLSA-N 400.523 0.498 30 20 HCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1833492770 QLNVENQVTSZXNK-WMLDXEAASA-N 423.587 0.760 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(C)s3)CCO2)C1 1833797768 KTZCJURWBLWHCZ-DNVCBOLYSA-N 407.492 0.560 30 20 HCED Cc1ccc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)nc1C 1834025665 AXAHXVBIDHMSHN-UHFFFAOYSA-N 412.490 0.972 30 20 HCED Cn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)n1 1834248232 SGNCADLYGCGYQJ-OAQYLSRUSA-N 409.446 0.676 30 20 HCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccccc3=O)CC2)CC1 1834820996 RCPASRCIBRCRMX-UHFFFAOYSA-N 413.522 0.970 30 20 HCED CC(C)OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835668258 YNSRSLQGXPJLDE-HXUWFJFHSA-N 410.515 0.150 30 20 HCED COc1nccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)c1F 1836235544 LTIBUFYAZIKTNI-LJQANCHMSA-N 406.414 0.603 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)N1C[C@H]2C[C@H]2C1 1837279830 UAZMINPMBMAESG-NSAZKJPHSA-N 401.507 0.196 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949621 UUWWAMDFUWHJQV-XOBRGWDASA-N 418.450 0.457 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1839175721 ARUURCTUFRMPRP-LAUBAEHRSA-N 424.494 0.379 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)CC1 1839628950 SJAGZUNKDMNSKF-HXUWFJFHSA-N 410.434 0.332 30 20 HCED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839676178 BEWLYRIOWDSZQE-DYESRHJHSA-N 406.527 0.724 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839759374 OYZLBOSKYPQIOO-FQEVSTJZSA-N 417.437 0.896 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1839843097 QCHQPHFHWWKRNL-ZWOKBUDYSA-N 405.499 0.583 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839884808 JTAXYBHJMFQQJF-GHTZIAJQSA-N 407.511 0.737 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1)C(F)(F)F 1839891881 DUBHSDNCWPONMP-MRXNPFEDSA-N 402.373 0.609 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285200 GESSKLVCEWAHDU-CTJICSLTSA-N 422.860 0.746 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1840292498 UHZVNIWJYANUTK-FQEVSTJZSA-N 404.467 0.571 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1840293331 UFSFTRKHNDOQRU-OAQYLSRUSA-N 407.511 0.409 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840343166 NFKDLPSXMGHJJJ-QNIGJGFBSA-N 418.494 0.452 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1840841009 YMFLLBUUOFWNJN-RXVVDRJESA-N 407.511 0.407 30 20 HCED 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C[C@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1801005004 QZNIJCORBAVRBY-WOSNLTMFSA-N 414.458 0.244 30 20 HCED CC#C[C@@H](CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)c1ccc(O)cc1 1801054091 CCRBRZOEAOMMSJ-LJCCNALRSA-N 423.473 0.911 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)C2CN(C)C2)[C@H]1c1cccnc1 1802499447 SHBRVSPGCAMRNS-ZVYDBLGCSA-N 411.506 0.507 30 20 HCED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)c4nccnc4C(N)=O)sc3C2)CC1 1821036725 XZZGKFYTJSVUMP-SECBINFHSA-N 411.447 0.562 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC#N)CC1 1826324300 SLBWPQKFNASXBI-MOPGFXCFSA-N 414.510 0.990 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c(F)c(C)nn4C)C3)C2)C1 1829665280 YUXAVTWBLUPUGC-HXUWFJFHSA-N 406.458 0.904 30 20 HCED COC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1829927515 CTKBFYVSUKIEAJ-JOCHJYFZSA-N 415.490 0.982 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)CC1 1830205706 QTVGVRKQERAWPT-MMUOASPGSA-N 419.570 0.801 30 20 HCED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830470300 RXSHMYOYYUBNGV-QRWLVFNGSA-N 406.866 0.529 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1ccnc1 1830975107 RZTGIRUMQRHKAP-AUSIDOKSSA-N 422.485 0.952 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1831406328 GZSJTEQBUUEHCR-NRFANRHFSA-N 420.462 0.693 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CCCS2(=O)=O)CC1 1831674071 SZASVGYSRARIJL-JKSUJKDBSA-N 410.492 0.271 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnco3)CCO2)C1 1831929068 PCJPJOCANUNRHH-LJQANCHMSA-N 405.455 0.026 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)O)C3)C2)c(O)n1 1833700060 PVAIYFWXCRXAJW-VFNWGFHPSA-N 419.478 0.357 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833837433 AXMRYVHROASHLR-FQEVSTJZSA-N 403.483 0.654 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1834753304 DYFGEYNPKLEIDN-LJQANCHMSA-N 402.407 0.507 30 20 HCED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c2cccnc21 1835344462 GIJDLYSDMHRRRN-QFIPXVFZSA-N 423.473 0.947 30 20 HCED Cn1cc2cc(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)ccc2n1 1835346613 KJISHCODGMJDJT-JOCHJYFZSA-N 423.473 0.947 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1835360150 VNYCYGSCMVVNNC-FQEVSTJZSA-N 417.466 0.299 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835643699 IPNHLLQRYJSEMK-RHSMWYFYSA-N 418.585 0.414 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836030156 PVSZAOBDOLKOPN-KKSFZXQISA-N 421.469 0.811 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnccc4F)CCO3)C2)CCC1 1836320407 BDHMTAVPQJXLPR-HXUWFJFHSA-N 402.426 0.985 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1837524545 JBOHPJUZCJWFMY-GHPDLMRWSA-N 421.454 0.009 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)n[nH]c3C)CCO2)C1 1837806206 XWWJHGOWXFXNIL-IIBYNOLFSA-N 420.510 0.670 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(Cl)ncn3)CCO2)C1 1838254360 SLGGZLNFHQEQJA-KUHUBIRLSA-N 422.869 0.238 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1C 1838273870 XXRGOEHTEBMADD-HXUWFJFHSA-N 401.467 0.356 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC4CCOCC4)C3)C2)c1 1838735132 WRZRHHPGXIGIHU-OAQYLSRUSA-N 416.478 0.773 30 20 HCED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905890 DWBGZTSSPJOGPI-NRFANRHFSA-N 400.479 0.628 30 20 HCED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838950023 JUBCUDMQABYPRY-OAQYLSRUSA-N 400.479 0.628 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1839225782 UBXGEKKXMZBJRI-FOIQADDNSA-N 419.482 0.656 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840007314 YQTKPNYEZAXJJC-HRTMPFAESA-N 418.490 0.590 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840165829 LLKZCKSTKIPHER-ORAYPTAESA-N 412.483 0.706 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1840168164 BQLGWOZQVXGOQI-GEPASTNRSA-N 403.479 0.081 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1840841895 BHEPXWADMMJZMT-FQEVSTJZSA-N 404.467 0.013 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1840843540 UGQBHJPUKAJHHR-NRFANRHFSA-N 423.510 0.769 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841562835 ARUYDSOMXSJVBG-AWEZNQCLSA-N 406.483 0.243 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc(CCN3CCCC3)nc2)C1 1843458026 IETKLUWOAMMGDX-UHFFFAOYSA-N 410.474 0.625 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2cccc(C#N)c2)C1 1844896043 YSBQRAOWDQGHHH-LJQANCHMSA-N 420.473 0.846 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCCC23CN(C(=O)CCC#N)C3)C1 1846411214 MBICIDVSEMFXLL-FQEVSTJZSA-N 406.483 0.865 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1846474070 PJJVTQFDCPPRGT-OAHLLOKOSA-N 419.478 0.925 30 20 HCED Cc1cc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 31656380 TWPITHNICAPYHU-UHFFFAOYSA-N 417.491 0.820 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Cn2cncn2)CC1 427968866 FMAJYCXLSFYQAI-CQSZACIVSA-N 402.480 0.755 30 20 HCED N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)o1 427994761 TWTPVOVJVAILRG-LBPRGKRZSA-N 409.445 0.869 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C 434811953 AQFJPDMJQXRPQQ-CZUORRHYSA-N 424.465 0.609 30 20 HCED NS(=O)(=O)CCN1CCN(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 443519228 HJUUCCLKONQKBK-UHFFFAOYSA-N 418.441 0.673 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)CC(C)C 460612337 HRAZZPKUYFQUQE-OAHLLOKOSA-N 412.450 1.337 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCS(=O)(=O)NCc1ccccc1 463677056 TVAXOLPGMOYBDM-UHFFFAOYSA-N 409.489 0.965 30 20 HCED COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 464014288 XRZZCHSYDTXFDX-CYBMUJFWSA-N 401.398 1.085 30 20 HCED N#CCCCOc1cccnc1NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 466622876 JJGBESXEHAZZTN-UHFFFAOYSA-N 413.438 1.463 30 20 HCED CC[C@H](C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 468586862 MJECOAITIHZRPY-OAHLLOKOSA-N 410.471 0.857 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 470396467 FDYJVCUAIPUZRG-VAMGGRTRSA-N 415.490 0.922 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCC(=O)N3CCCC3)ccc21 471074146 CUEPOTVKZGYWMT-UHFFFAOYSA-N 411.462 0.947 30 20 HCED N#C[C@H]1COCCN1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 471239595 VJRYRHTWMBGVKX-KRWDZBQOSA-N 418.519 0.975 30 20 HCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472248584 DGTROYVBXQBSBX-QGZVFWFLSA-N 422.555 0.843 30 20 HCED Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 472988268 KDUNMVVEVKTFRO-UHFFFAOYSA-N 416.507 0.827 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O 480383202 LETTXOWXBXRQSB-CYBMUJFWSA-N 416.434 0.376 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)n1 481266315 PQVCWQOGLLQGAC-UHFFFAOYSA-N 424.400 0.246 30 20 HCED C[C@H]1CN(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 481805942 JNPBJIUWBRNHOG-HOTGVXAUSA-N 420.535 0.937 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 484549063 BZTJXNNTGOZPON-NVXWUHKLSA-N 404.492 0.289 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)co1 486005850 QPAISJIQEAAGED-INIZCTEOSA-N 416.459 0.932 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 487411834 IFKCIGNYPFZGBN-IRXDYDNUSA-N 423.477 0.711 30 20 HCED COC(=O)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 487686877 UPNQBWVMPABGNP-QGZVFWFLSA-N 421.475 0.359 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(-c2ccccc2F)c1=O 488985692 RDXKHGMBDFOYGF-CYBMUJFWSA-N 424.457 0.880 30 20 HCED CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 489975084 BBCHVEUYMZXEKY-SJORKVTESA-N 419.507 0.729 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21 490265518 AHZMLRLSXZVBTF-MRXNPFEDSA-N 418.413 0.437 30 20 HCED CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)N2CCC(C#N)CC2)cn1 491582172 UYIQWGHGQQAUSQ-UHFFFAOYSA-N 401.448 0.976 30 20 HCED Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494583114 HDSRSYWJIJRYSJ-UHFFFAOYSA-N 418.435 0.505 30 20 HCED CCOC(=O)c1cnn(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1C#N 499484622 MURPHRCGRFUXNB-AWEZNQCLSA-N 408.480 0.890 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C1CCN(C)CC1 516371743 TZSSRRIIFBNSHP-UHFFFAOYSA-N 412.515 0.883 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 517809942 NODIYXAOTDIVIW-UHFFFAOYSA-N 421.504 0.372 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 518841789 YYYSVOYTJYYPAA-ZWKOTPCHSA-N 405.543 0.582 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1 518851260 VIZCCYUCNDDGRU-UHFFFAOYSA-N 415.537 0.600 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCO[C@H](C#N)C2)c1 519285566 AQKGYUBKGXDRGT-CQSZACIVSA-N 410.496 0.889 30 20 HCED COCCNC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 522278512 CVCJAKMNRJAKCX-KRWDZBQOSA-N 419.501 0.841 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(OC)nc1 524275051 IDMRLFFWPYBSBV-UHFFFAOYSA-N 422.466 0.560 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 536085697 QHGVVLRJMJEBAQ-MRXNPFEDSA-N 412.515 0.902 30 20 HCED CCNC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 538360172 VVKKZJSXHIUKNE-QGZVFWFLSA-N 418.567 0.211 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 544872899 GTUFLZJZMMIXKR-SWLSCSKDSA-N 405.480 0.288 30 20 HCED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CC[C@@H](S(=O)(=O)NC(C)C)C1 554932792 ZZICXHYXCIHFQV-CQSZACIVSA-N 422.511 0.894 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCc2nc3ccccc3[nH]2)CC1 556222946 NNILBFIPFSFUJU-UHFFFAOYSA-N 412.494 0.058 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)nn1 556513967 WVDAYYIOSRWERW-UHFFFAOYSA-N 412.425 1.562 30 20 HCED Cc1ccc2c(c1)nc(CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)n2C 564162260 UYJIBJZETCVKNB-UHFFFAOYSA-N 408.466 0.766 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 565921884 FVDLLFLPIKXKSU-TZMCWYRMSA-N 405.398 0.856 30 20 HCED Cc1nc2ccccc2n1CCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 573224882 BLOFWYWRCHOEEX-UHFFFAOYSA-N 422.493 1.119 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)c1C#N 575096588 YGRHKLBWZAWIMC-KRWDZBQOSA-N 415.542 0.485 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCC(=O)Nc2ccccc2)CC1 576260746 SXQJCQQQFMGLBK-UHFFFAOYSA-N 406.446 0.747 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N(C)C1CC1 587857364 NDWSBOXQUYADTH-CYBMUJFWSA-N 400.483 0.671 30 20 HCED COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NC1CCN(CC#N)CC1 588128834 NDRKGKOYFVSDQZ-UHFFFAOYSA-N 402.451 0.494 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1C1CC1 603998015 GECHFGRLCLLFCB-UHFFFAOYSA-N 402.457 0.996 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 604043131 OYDWGOIZNZNWRA-ZDUSSCGKSA-N 422.550 0.301 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)CC1 604188742 JAUYUXXGUZNIEC-UHFFFAOYSA-N 419.448 0.559 30 20 HCED COCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 609414299 AEXMODKNIAZOIE-MRXNPFEDSA-N 414.505 0.135 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)cn1 610155775 OLRFJAIXLKIMNE-UHFFFAOYSA-N 403.464 0.640 30 20 HCED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(C)c2)c1=O 725764621 ZYXKGHPOYXDCEC-UHFFFAOYSA-N 424.486 0.217 30 20 HCED COc1ccc(CN(CCO)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 732467586 VNQJUGQWVIKZHE-HNENSFHCSA-N 418.450 0.734 30 20 HCED C[C@@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 733889287 QEFNTMGRLBHCDW-GMVXBXSFSA-N 402.498 0.376 30 20 HCED N#C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCC2(CC1)NC(=O)NC2=O 735911908 XPKJJPNKCIDLCI-KHUXFNJZSA-N 412.402 0.874 30 20 HCED CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 736132570 XDUQBQKXMYWVCX-UHFFFAOYSA-N 421.475 0.612 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCCS(N)(=O)=O)CC2)cc1 744526315 KWRYCGOGLFZWBO-UHFFFAOYSA-N 415.493 0.181 30 20 HCED CN1CCC(O)(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747411317 CEEDOJQIZQUMCI-UHFFFAOYSA-N 422.551 0.858 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCOC1 749862987 UOLUBTWWYHPCAP-UONOGXRCSA-N 400.504 0.798 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2(CO)CCOCC2)cc1C#N 752411975 YUJPLRFNVJJMME-UHFFFAOYSA-N 404.423 0.970 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 754938162 PPTHPEWPLXNQDQ-UHFFFAOYSA-N 404.448 0.195 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccccc2)c1=O 758054016 XAEWHINPSPSOAH-UHFFFAOYSA-N 409.511 0.977 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758060489 DEFDNOOZHFKLNC-UHFFFAOYSA-N 405.401 0.990 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Nc2nn(C)cc2C#N)cc1 760043273 SLFFUDUZFNKTQR-UHFFFAOYSA-N 405.436 0.701 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 761031712 ATIFYSBBTJGRHH-UHFFFAOYSA-N 423.926 0.672 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 762524425 NDTUTBQLZYNFEJ-CQSZACIVSA-N 402.382 0.271 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COC2(CCOCC2)O1 777425728 LXVQFORMXYSXLU-HIFRSBDPSA-N 409.464 0.263 30 20 HCED C=CCNC(=O)CNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 777515674 MMOATQGFFQWBTN-ZDUSSCGKSA-N 415.899 0.829 30 20 HCED CC1(C)CN=C(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)S1 787757281 CWLRZDBSUBNEPU-UHFFFAOYSA-N 415.523 0.507 30 20 HCED COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 788359392 OJGBLEUZPRXZKN-CWRNSKLLSA-N 406.460 0.773 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)[C@@H]1CCS(=O)(=O)C1 789752050 KWRNRTFIOJSMDA-RHSMWYFYSA-N 419.503 0.659 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1cc[nH]n1 789977881 ATZCSJTZTKZSQM-KRWDZBQOSA-N 424.461 0.930 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CCO[C@H]1C 790258271 CJRXCWSHRLIFPT-ZUEVXXBESA-N 409.508 0.796 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)C1=O 798560789 MLUIUYBGZZXBOU-CQDKDKBSSA-N 416.883 0.698 30 20 HCED C#CCC[C@@H](O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 799204914 KCIKFSKJBWDOPT-OAHLLOKOSA-N 411.480 0.612 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1(S(C)(=O)=O)CCC1 799703396 HBJHSSBXPFMAFH-GFCCVEGCSA-N 400.478 0.736 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 815861150 SPXSADRVYKXPGM-UHFFFAOYSA-N 414.915 0.600 30 20 HCED CCOC1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 815884773 PPTBBOGEYGVKRI-CAPFRKAQSA-N 408.480 0.685 30 20 HCED C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 816673617 DEVHEKYHCSWXAX-INIZCTEOSA-N 422.503 0.749 30 20 HCED C[C@@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 825293259 QBGRDVMOAYUVSI-GWCFXTLKSA-N 408.885 0.877 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NN3CCOCC3)nnc12 849367452 XMFNOJZWKZOISZ-UHFFFAOYSA-N 400.464 0.686 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)C1=O 916965875 JQUFSMUNSMHPEU-ZUOKHONESA-N 412.402 0.826 30 20 HCED C[C@@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)Nc1ccccc1C#N 920606044 OUGULESGNJQPCD-LLVKDONJSA-N 409.402 0.631 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 967216207 PVXRKXOUCOGTNT-RMMWZPCPSA-N 403.523 0.890 30 20 HCED COc1cncnc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1205907489 LIWLRGJGLRISRI-UHFFFAOYSA-N 402.436 0.895 30 20 HCED N#Cc1cn(CCNC(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(=O)nc1O 1210845521 PMLRJHNDLAHVJV-HNNXBMFYSA-N 400.439 0.940 30 20 HCED C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1288989824 LOUFGOCMOJAZJM-GOSISDBHSA-N 402.480 0.563 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1290553667 NNVIHTGAHMBZSW-OCCSQVGLSA-N 422.515 0.016 30 20 HCED CS(=O)(=O)C1(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302428869 UXUQBZXSBXJGPO-INIZCTEOSA-N 416.507 0.960 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1313550907 UNJWXSZBBHSRTR-INIZCTEOSA-N 408.466 0.509 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1325203549 MPXGMOPQILQIAE-HNNXBMFYSA-N 404.448 0.480 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)Cc3ccncc3)C2=O)cc1 1329084488 MKTYLGXPTMIOPM-AEFFLSMTSA-N 407.430 0.878 30 20 HCED N#CC[C@]1(O)CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 1476000848 ZHXXEMCJOQQKLB-KRWDZBQOSA-N 412.443 0.729 30 20 HCED C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC(=O)N1C 1512405478 JCXFHDNJRAHBIU-CQSZACIVSA-N 416.507 0.918 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCCS2(=O)=O)CCO1 1555993344 MUDQWFYHKGTQLT-AWEZNQCLSA-N 420.470 0.848 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1617613788 XPXYLAPWUVEEJI-MRXNPFEDSA-N 408.466 0.461 30 20 HCED COCCN1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)CC1=O 1619926992 XHTIGBATYXPEAC-HZPDHXFCSA-N 417.514 0.747 30 20 HCED CCN(Cc1c(CO)cnc(C)c1O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1626461386 YYJYEIQMRFOEGB-UHFFFAOYSA-N 418.475 0.675 30 20 HCED N#CCOc1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1627858765 MCFFSHXVXIJXIC-SFHVURJKSA-N 412.421 0.947 30 20 HCED CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1630427209 KXZDDKDLVFMVSD-BFUOFWGJSA-N 403.439 0.726 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N(CCN2CCOCC2)CC2CC2)cc1 1642141032 OUJOMEGOUTYOAL-UHFFFAOYSA-N 406.508 0.407 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3c4c(nn3C)CCCC4)CC2)c1C#N 1654988627 AMJNABWGCBYSQN-UHFFFAOYSA-N 403.512 0.723 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 1674912892 KYDSTKHIGNTNOW-UHFFFAOYSA-N 408.480 0.925 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CCCS1 1723956122 QPVQYAMKFLKFRX-XEZPLFJOSA-N 414.557 0.903 30 20 HCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1749874285 PNSFTYQSLBNKKN-UHFFFAOYSA-N 407.482 0.762 30 20 HCED CCS(=O)(=O)NCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1766729467 FPXNZESUWMHBNX-QGZVFWFLSA-N 418.523 0.845 30 20 HCED CN(C)S(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1768522789 SYMKVRLNSCYQII-UHFFFAOYSA-N 423.543 0.536 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=N)N)CCO2 1779000237 SKVZTPCPAJYNHC-LJQANCHMSA-N 407.591 0.350 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020574 SKKDHFHLYKWOJE-BCVDLATCSA-N 402.499 0.942 30 20 HCED O=C(CCc1cnccn1)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779141551 ZYZWPDRUNGMJPI-DUYDGHCJSA-N 411.462 0.951 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c1 1780597019 GCXNKOAZFJMWNG-IBGZPJMESA-N 410.390 0.947 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCO)C1 1780766427 IOHDHKYOUXOMTA-OXQOHEQNSA-N 412.483 0.019 30 20 HCED C[C@@H](Cc1ccncc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1781483629 OUASCWODJOUPIM-AQOAWAETSA-N 413.474 0.862 30 20 HCED COc1ccc([C@H](C)C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783556542 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0.233 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)C1 1845068511 ITZMSJLGWDFXGH-LVKZSUFYSA-N 414.506 0.449 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2[C@@H](O)CCN2C(=O)OCc2ccccc2)C1 1846234839 NERUDASVFBBMCE-HKUYNNGSSA-N 411.458 0.595 30 20 HCED O=C1CN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#Cc2ccc(Cl)cc2)C(=O)N1 1847473905 BTXUYLULJFXECD-HOTGVXAUSA-N 414.849 0.445 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)N(C)C 1847940032 MQECNYRROSRSKW-KKUMJFAQSA-N 408.499 0.746 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@](C)(O)CN3Cc4ccccc4C3=O)CC2)c1C#N 427505343 NFIRPYWYWFRSND-QFIPXVFZSA-N 422.489 0.656 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@@](=O)CC[C@H]1C 433528009 KJOLPEMZTGGIRK-DBDZUICISA-N 400.464 0.755 30 20 HCED COC(=O)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 437916300 DDVZZLKKSYNODV-UHFFFAOYSA-N 424.460 0.595 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(F)ccc1N1CCCN(C(C)=O)CC1 440030788 UAHUAHXVLJIZTI-INIZCTEOSA-N 406.458 0.876 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)C1=O 440253540 IQUFFRVNRYVFKP-KRWDZBQOSA-N 409.446 0.475 30 20 HCED COc1cc(C#N)ccc1OCc1nc(CC(=O)NCCN2CCOCC2)no1 445287039 TVGXESMGJARKOB-UHFFFAOYSA-N 401.423 0.520 30 20 HCED COCCCNC(=O)Cc1noc(-c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 445378753 KMKYLNYAXFXZPY-UHFFFAOYSA-N 407.452 0.542 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cn1 460608037 IYKZKQAGQAZIFL-INIZCTEOSA-N 423.477 0.648 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 464730287 ITPLAWYMHVYQMC-HNNXBMFYSA-N 409.512 0.853 30 20 HCED Cc1cc(NC(=O)CSCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)no1 465180536 AIZYIBATGKUOFF-GFCCVEGCSA-N 415.479 1.054 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H](C)CC#N)CC2)cc1OC 468872834 GXPMPCZVLDQGOR-HNNXBMFYSA-N 424.523 0.771 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 470511222 NBGWWOSVRRFVGA-JKSUJKDBSA-N 420.535 0.937 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cn1 477235617 CTOMVFCGEUMDQH-UHFFFAOYSA-N 400.382 0.885 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 481005174 WIJKHYHXHFRARD-LBPRGKRZSA-N 414.509 0.918 30 20 HCED CS(=O)(=O)c1cc(C(=O)N(CCC#N)CCN2CCOCC2)cc([N+](=O)[O-])c1 502567495 BWOMBUITDOHXIX-UHFFFAOYSA-N 410.452 0.686 30 20 HCED Cc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 505805905 ZLTRTCFTXHFLQK-HNNXBMFYSA-N 415.475 0.428 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cn2)C[C@@H](C)O1 506547777 JQDSQDFZGXWJHP-OKILXGFUSA-N 420.445 0.312 30 20 HCED CC(=O)N1CCCc2cc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)ccc21 506582399 WCSXTWRPONQLNJ-UHFFFAOYSA-N 409.450 0.850 30 20 HCED C=CCN(C(=O)NC[C@H]1CS(=O)(=O)CCO1)[C@H](C)c1cccc(-n2cnnn2)c1 509105645 ALLSNANGAPOUDG-PBHICJAKSA-N 420.495 0.735 30 20 HCED CCNC(=O)CN1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 520360887 RQXVRJLZXNZAPQ-UHFFFAOYSA-N 406.508 0.143 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc2c(c1)OCO2 531630120 XCMPATOGYJOPLL-UHFFFAOYSA-N 420.450 0.580 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 531841375 KLXSNGUCEMTFRD-KRWDZBQOSA-N 401.515 0.443 30 20 HCED CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 532201740 LZXRVCDXZWHLOS-UKRRQHHQSA-N 413.521 0.651 30 20 HCED C[C@@H]1CN(C[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 532642487 NNFHPLNRLDWCDY-LMMKCTJWSA-N 422.551 0.335 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CCN1S(C)(=O)=O 540684060 JXZLYFOYZAMXCB-AWEZNQCLSA-N 408.480 0.800 30 20 HCED N#Cc1ncn(CCNC(=O)Cn2cnc3ccc(Br)cc3c2=O)n1 552333242 ZJZBCYLAYGJGFR-UHFFFAOYSA-N 402.212 0.439 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)n(C)c2n(C)c1=O 552898070 BERGTERZUXDTIV-ZDUSSCGKSA-N 408.418 0.136 30 20 HCED CC(C)(C#N)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 552977572 RYJCGHWFVSNLQE-NVQRDWNXSA-N 410.434 0.983 30 20 HCED CCCN(CC#CCN(CCC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 556494533 CYMFWZHRNVHFBN-HDICACEKSA-N 404.598 0.788 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)CCC(C)(C)C#N)C2)cc1 558437059 WENHUJBJHLIYFM-UHFFFAOYSA-N 401.510 0.927 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCOCc3ccccc3)CC2)c1C#N 561127372 KKHHRBDJWDLGQR-UHFFFAOYSA-N 410.478 0.582 30 20 HCED C[C@H](c1ccccc1)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(N)=O 563308678 WZSDINJBWQFQPR-AUUYWEPGSA-N 414.487 0.953 30 20 HCED COC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 571928836 DRDFANLQGKEUBB-CQSZACIVSA-N 415.475 0.963 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccccc1F 576391908 SERNCPCCXOWOCQ-ZDUSSCGKSA-N 418.454 0.503 30 20 HCED CN(CCCNS(=O)(=O)c1cncc(C#N)c1)S(=O)(=O)c1cncc(C#N)c1 589281902 HWBKBBNWUOEYTA-UHFFFAOYSA-N 420.476 0.209 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)c2)c1=O 603795447 VKICYOHGUJDQET-UHFFFAOYSA-N 413.499 0.690 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CC(C)C 603800423 RXXRMXNJZZWENE-UHFFFAOYSA-N 415.515 0.840 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)nc1 604196571 RUOVDPOOHOYTRZ-UHFFFAOYSA-N 422.401 0.936 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 608833976 NLUGANUGBWXADO-UHFFFAOYSA-N 400.464 0.365 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1cccc(C#N)c1 610776684 QSRJTEYQUVOVDW-CQSZACIVSA-N 410.434 0.429 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 611137615 LQWBABVJUPFLHH-UHFFFAOYSA-N 411.506 0.850 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2Cl)c1=O 619539360 VJWWRWYYEZTGEI-UHFFFAOYSA-N 421.906 0.857 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2F)c1=O 619695393 HIEUHOAAMUTBJM-UHFFFAOYSA-N 405.451 0.343 30 20 HCED CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 727010296 UJOHXIQMZXACDB-AEFFLSMTSA-N 414.462 0.580 30 20 HCED N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCCO3)c(=O)n1CC(N)=O 727160387 CPCOMJMZHHGFTL-UHFFFAOYSA-N 416.846 0.236 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 729315664 CHMMUAQHEAJOKC-UHFFFAOYSA-N 408.455 0.821 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 734224359 ITZKZUPGCSCWNQ-UHFFFAOYSA-N 411.414 0.826 30 20 HCED C#CCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 740736535 YBXDULSFRSNWSF-UHFFFAOYSA-N 405.520 0.925 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O 744438974 WCPIRTPRLYCJAQ-HNNXBMFYSA-N 421.498 0.442 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c1 748525827 DBISNNFUMRRYLZ-UHFFFAOYSA-N 414.443 0.066 30 20 HCED COCCS(=O)(=O)CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 748668327 WEBWNXJAHDOXMQ-UHFFFAOYSA-N 402.476 0.816 30 20 HCED N#Cc1ccc(NCCNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)nc1 752147551 BWTSQPOGENUHRR-CYBMUJFWSA-N 409.493 0.561 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)c1 754939791 XCLSLOGXAZJDLT-HNNXBMFYSA-N 412.450 0.907 30 20 HCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755544259 FPCNRAIWRDUKSG-DZGCQCFKSA-N 415.450 0.908 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 756771375 WPDBGNLNOHIZKX-NEPJUHHUSA-N 406.447 0.247 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761082166 JGCPRWRCBJBLJH-MRXNPFEDSA-N 419.457 0.725 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1 763436431 KRYPHAWAPBLRCS-UHFFFAOYSA-N 408.483 0.503 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC(=O)NCC(F)(F)F)CC2)o1 764575886 BUJGDTUUEIFTSA-UHFFFAOYSA-N 417.344 0.115 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 769002301 SBDZVVXCLSMAKI-NRFANRHFSA-N 402.495 0.865 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 769977492 PVWLXQVGIZHFQB-LBPRGKRZSA-N 416.463 0.776 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2ncnc2C1 771625527 MDWWYFOFPRBHAY-AWEZNQCLSA-N 402.480 0.774 30 20 HCED C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 773911957 BYYYYENSGILRLN-MMOSJZJFSA-N 408.480 0.685 30 20 HCED C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 782749503 IUQFORJOPNULHG-VIFPVBQESA-N 407.433 0.778 30 20 HCED C#CCOCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 784608298 YJPBOOYVUWSMCK-QGZVFWFLSA-N 408.252 0.982 30 20 HCED C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccc(S(N)(=O)=O)c1 785524020 MQOSCVIDRPZAMU-LBPRGKRZSA-N 416.463 0.006 30 20 HCED COC(=O)c1cccc(COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1C#N 786361787 RJLVPZCPNVIFLF-AHCXZYCDSA-N 412.398 0.941 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC(C(=O)OC)CC2)c1 787505966 WUDVNZUHYHIDOE-UHFFFAOYSA-N 424.475 0.719 30 20 HCED C#CCn1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 788217319 JWQZNHXADWXGDR-UHFFFAOYSA-N 416.503 0.786 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 791481894 FZXBSYBWYSUPRN-SFHVURJKSA-N 403.508 0.971 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)cc1 794617279 UZVQYVXJOKKZLP-UHFFFAOYSA-N 422.536 0.990 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 795188714 XWNXCPHXTDCBII-AWEZNQCLSA-N 416.503 0.097 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 799027041 ASULEHCWNKBGRT-HNNXBMFYSA-N 404.492 0.751 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)NC(CC)CC)Oc2ccccc21 799285332 CPNWOMAVNRJSFB-APWZRJJASA-N 415.490 0.976 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2S(N)(=O)=O)c1 805310642 OHBILFIKFFDENU-UHFFFAOYSA-N 407.473 0.176 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 807335308 AYKGBVVCXKIKIM-INIZCTEOSA-N 402.476 0.617 30 20 HCED COC(=O)N1CCC([C@@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 811194948 VZDGTYSWPGEQDP-CYBMUJFWSA-N 408.480 0.820 30 20 HCED C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812388392 BAZDKJYETSJHIZ-FUHWJXTLSA-N 415.519 0.927 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1 838818076 FIUACYDUZRMPOS-UHFFFAOYSA-N 405.483 0.746 30 20 HCED 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CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1831500015 ZEQIZARIGHXTQQ-JTDSTZFVSA-N 410.540 0.855 30 20 HCED CC[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N(CC)CC 1831664948 ZUOTYICATYBURQ-UTKZUKDTSA-N 406.527 0.867 30 20 HCED C[C@@H](CC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1833522526 SMRBCHVNIJXYLI-AWEZNQCLSA-N 414.510 0.583 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncc(Cl)cn4)CCO3)C2)CCC1 1833792055 KSQZNWCCUVBHSR-IBGZPJMESA-N 419.869 0.894 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3noc(C)n3)CC2)CC1 1833808769 AWYWBSXSKYOHIB-OAHLLOKOSA-N 417.510 0.530 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CSC(=N)N)CC2)CC1 1834652822 IIQASDMDVDSNOA-CQSZACIVSA-N 409.556 0.223 30 20 HCED CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834755888 LFOAVBKJTJOENK-HXUWFJFHSA-N 424.498 0.660 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1834763582 PIHMJXRHQARGST-FQEVSTJZSA-N 410.434 0.455 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3[N+](=O)[O-])C2)C1 1834764856 FRFJLDMLUKREKH-SFHVURJKSA-N 406.370 0.718 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)CC(N)=O)CC2)CC1 1835713809 FLNWYOGNYCCRHY-QAPCUYQASA-N 422.570 0.643 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCO1)CCO2 1836223554 ZSAUFCQUNITNDG-UZLBHIALSA-N 410.467 0.131 30 20 HCED CC(C)N(C)CC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837567401 JDDBMTZIZIUCLU-FFCJBUTOSA-N 420.510 0.495 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908374 WXETUAWECPEURT-QVKFZJNVSA-N 414.462 0.153 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839224322 IQODRQPHGXRYTL-JXFKEZNVSA-N 421.498 0.220 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)Nc4ccccc4)CC3)C2)C1 1839806686 WKBMMRHVRKYKAU-OAQYLSRUSA-N 411.458 0.495 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1839842021 JFMINNZDXHQUCR-SUMWQHHRSA-N 422.400 0.761 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1840167531 WRQUXGYZOWKMQN-UNMCSNQZSA-N 400.475 0.980 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840326310 YXXQCMNXWZOWGK-JXFKEZNVSA-N 421.498 0.600 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1C)CCO2 1840489461 VYSCWJROFOADEV-CBGDNZLLSA-N 420.510 0.800 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)C2 1842920634 IXHYREPXUVXLBN-SJORKVTESA-N 415.538 0.873 30 20 HCED O=C(COC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301144 WSNISHQAXNNCLU-YYBSAPHASA-N 421.372 0.824 30 20 HCED O=C(CSc1nc[nH]n1)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844303335 SXQLRMNXUYAGSL-IGSPZPEDSA-N 408.484 0.629 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2CCNC2=N)C3)c1Cl 1844735017 SIWZVRRMVMEROQ-UHFFFAOYSA-N 400.870 0.869 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CC(c3ccccc3)=NN2)C1 1845740517 MCWBRCGEKBAKBF-ZBTAVZRMSA-N 421.501 0.814 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cc1ccc(Br)cn1)C2 1846195011 RGJOVFAKVRUILE-UHFFFAOYSA-N 406.236 0.678 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@H](O)c1cccc(Br)c1)C2 1846196217 AEILHVBCEJWLLI-MRXNPFEDSA-N 421.247 0.774 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c1 1848130509 NQJRKBOCYUKTQH-VZEFYGNVSA-N 409.446 0.727 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2ccc(CCNC(C)=O)s2)c1=O 53224501 OTWZBUMDBZJXNR-UHFFFAOYSA-N 418.475 0.167 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nc(N)ns3)CC2)c1 427798856 DCRAAJIARKKTBK-UHFFFAOYSA-N 408.509 0.547 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 433434624 DQXGUJZZYZNWET-UHFFFAOYSA-N 400.457 0.044 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)c1ccc(F)cc1 434586223 OKHGJGLJUUZCEI-HNNXBMFYSA-N 401.398 1.256 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434827267 QIDPIJADXPYLCO-INIZCTEOSA-N 414.510 0.818 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 439450921 XIUZXLKGXSLMFI-OAHLLOKOSA-N 413.883 0.859 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 461360027 KVWAKQLUWIQMQG-INIZCTEOSA-N 417.491 0.810 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)cc1 468064413 GJKDKCGFRWDCDS-KRWDZBQOSA-N 413.478 0.969 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3)CC2)c1C#N 471680244 SHQMRTQDIBTXIL-UHFFFAOYSA-N 416.507 0.617 30 20 HCED N#Cc1c(CCCNC(=O)[C@H]2CN3CCCN2CC3)nn(-c2ccc(F)cc2)c1N 479316357 MMQYMITWGWJTCP-LJQANCHMSA-N 411.485 0.904 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 483745733 LZEMTYCVGWIASF-UHFFFAOYSA-N 413.434 0.850 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 484086527 UQWYONYSOMKCCW-SFHVURJKSA-N 418.519 0.238 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cn1 485986533 DKCAOPXCURITAM-LLVKDONJSA-N 412.449 0.543 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccccn2)c1=O 489023146 AMXCSIFZJPASQC-HNNXBMFYSA-N 413.499 0.840 30 20 HCED Cc1ncc(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 489493292 RSYOTSVSSDYBKG-OAHLLOKOSA-N 416.459 0.865 30 20 HCED N#Cc1ccc(N2CCC[C@H](N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)C2=O)cc1 489982851 YXVQHUMPVIWDCI-FHWLQOOXSA-N 418.519 0.141 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(Cl)c1 503432544 WJPDCHXQZFTDGE-UHFFFAOYSA-N 412.899 0.377 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCCN(C)S(=O)(=O)CC)c1 506275872 RLDRVENZAKHYAG-UHFFFAOYSA-N 403.526 0.552 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NCCCN1CCCC1=O 506961980 UPCFTJKZHFQXDJ-UHFFFAOYSA-N 421.479 0.627 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 507517513 MOEUSUQHSOBIIG-UHFFFAOYSA-N 422.488 0.453 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)n1 508378323 NJOSWASLFFTSSG-UHFFFAOYSA-N 419.401 0.796 30 20 HCED C[C@](O)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 508657565 PKAILXPDLLCCIK-NQIIRXRSSA-N 415.494 0.436 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)N2CCCC2)C1 508733959 PEEGOLHWRPLXNO-OAHLLOKOSA-N 408.528 0.704 30 20 HCED Cc1sc2nc(CN3CCN(C(=O)NCC(=O)NCC#N)CC3)nc(O)c2c1C 511916308 LVVLIBVYTFTKMS-UHFFFAOYSA-N 417.495 0.481 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2ccccc2Cl)C(N)=O)C1=O 517412708 GSPNWHUJFHUSSC-LBPRGKRZSA-N 406.826 0.077 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 518019079 FOABIRBCSZKVHT-MRXNPFEDSA-N 419.507 0.633 30 20 HCED CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 530521778 JDFUGMFWASHCSV-UHFFFAOYSA-N 416.507 0.779 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(C#N)cs3)c2=O)cn1 531370321 XVUYIIMUCZPRBN-UHFFFAOYSA-N 410.484 0.298 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 538255330 ZPVMRXDWSGNSJR-ZDUSSCGKSA-N 404.496 0.930 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 539271137 VBDNYRFOHLHEFF-CYBMUJFWSA-N 406.464 0.515 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN([C@@H](C(N)=O)c3ccccc3)CC1)CC2 550569699 ZOJCIZFLXLDBOH-HXUWFJFHSA-N 417.469 0.818 30 20 HCED COc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)NC1CCCC1 552673609 CZAOFJBJZGHSNE-UHFFFAOYSA-N 418.479 0.809 30 20 HCED COc1ccc(C(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)c(OC)c1 555863554 AMWGFBKQDCPWOA-UHFFFAOYSA-N 423.429 0.894 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 559985964 GLFQSEBDCFFQJQ-OAHLLOKOSA-N 407.434 1.395 30 20 HCED Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 565324098 CNJPZYQRRPQURS-AWEZNQCLSA-N 409.494 0.700 30 20 HCED CNC(=O)CN1CCC(NS(=O)(=O)c2cccc(Br)c2C#N)CC1 565965134 SSJRYQKEGWMTBO-UHFFFAOYSA-N 415.313 0.809 30 20 HCED Cn1ccnc1N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 568810775 ZESVNYQGMGCKPL-UHFFFAOYSA-N 402.480 0.355 30 20 HCED COC(=O)Cc1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 568939519 LPPHTWPNWHAPNF-UHFFFAOYSA-N 405.436 0.634 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)NCc1ccc(C#N)cc1F 586862142 LGIIPHHKHWHLKI-FPCVCCKLSA-N 417.393 0.265 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)C2=O)cc1 588865174 XRQGIJKDZOMVTJ-OKZBNKHCSA-N 423.473 0.439 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 589069439 SKCGTHUGGSMEDI-ZBFHGGJFSA-N 417.897 0.891 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CN1C1CC1 589114674 VAZZHZVKRDADEK-HIFRSBDPSA-N 412.494 0.814 30 20 HCED COc1ccc(C#N)cc1NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 609826958 QKBJJMMUTLBWNI-UHFFFAOYSA-N 423.495 0.730 30 20 HCED N#Cc1nncn1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 612402167 QXZHRFKHLMHWDF-UHFFFAOYSA-N 410.843 0.463 30 20 HCED N#CCc1ccc(OC[C@@H](O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 613384147 MGCLETWNYMIQCH-IBGZPJMESA-N 407.536 0.687 30 20 HCED Cc1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(N)(=O)=O 615955895 DYEKTVGJIFGQJM-UHFFFAOYSA-N 402.480 0.518 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCc1c(C)nc(O)c(C#N)c1C 619876653 UMUBGMMMDGCCCF-INIZCTEOSA-N 418.450 0.115 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(OCC)cc3)CC2)C1=O 623208802 XWHLHIFGNJPDJA-UHFFFAOYSA-N 414.462 0.706 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 685799811 LXKOADBNAUSAPY-OAHLLOKOSA-N 414.505 0.369 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCO[C@@H](C)C1 725718993 BARDERUMQJFTRT-RDJZCZTQSA-N 422.551 0.977 30 20 HCED CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726400809 MDHHVKHZOBHTRY-GWCFXTLKSA-N 405.480 0.378 30 20 HCED CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403719 MLIZFACFVDMFKW-RMYFCYLKSA-N 410.521 0.823 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 728590009 RKRHSOQTIAMOEU-UHFFFAOYSA-N 414.325 0.813 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732154819 UZTJYPLMPIUMGC-HTXNQAPBSA-N 420.491 0.877 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CS(=O)(=O)c2ccccc21 736157398 SGLPQFOKKZPYMX-AWEZNQCLSA-N 419.484 0.760 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 744026993 DLGRWYQINXKURU-JVNHZCFISA-N 411.414 0.895 30 20 HCED CS(=O)(=O)Cc1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 746808149 SODMHRGRWMKSBL-UHFFFAOYSA-N 407.473 0.908 30 20 HCED C[C@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)Nc1ccc(C#N)c(Cl)c1 748427002 GRBKHGPOJSGONK-VIFPVBQESA-N 411.827 0.626 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)C1 762724931 KHTTUOGMFCSZHP-LJQANCHMSA-N 417.510 0.283 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccon3)c2=O)c1 763457818 IDHDSTFJOQOAGY-UHFFFAOYSA-N 423.498 0.846 30 20 HCED COC(=O)CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 765717415 IURATSUSLJRARQ-AWEZNQCLSA-N 423.491 0.796 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)CC2CC2)cc1 766627892 YWBUIWSJABEGQD-UHFFFAOYSA-N 408.480 0.874 30 20 HCED CCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCC 771897844 SQQQRHSEFMXAFT-UHFFFAOYSA-N 424.479 0.584 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCCOCC)c2=O)cn1 772278367 RQBJPTLZDPEKJF-UHFFFAOYSA-N 415.519 0.663 30 20 HCED CS(=O)(=O)NCCc1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)s1 782573276 XXYUIGQGTJEKGZ-UHFFFAOYSA-N 421.460 0.817 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 784925976 MZAXLWBOPGGVIV-HNNXBMFYSA-N 405.476 0.423 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCO1 788032284 YMGMCICISMLFPY-RTBURBONSA-N 402.470 0.361 30 20 HCED CS(=O)(=O)CCCC(=O)NS(=O)(=O)c1ccc(C#N)c(Br)c1 790841666 JJSLQWSBRKFHBF-UHFFFAOYSA-N 409.283 0.950 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 793194441 KXTIZRNXVUONDX-CQSZACIVSA-N 411.505 0.837 30 20 HCED COCCCS(=O)(=O)NCCOC(=O)C1CCN(c2oc(C)nc2C#N)CC1 796280286 OBJPGKKXAFSBNP-UHFFFAOYSA-N 414.484 0.570 30 20 HCED C#CCn1ccc(CN(CC)C(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)n1 811471999 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C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1=O 25521569 GTRCAYXEHBWZGM-UHFFFAOYSA-N 417.378 0.099 30 20 HCED COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 435311813 VODIAQVAHYRGIJ-HOTGVXAUSA-N 406.483 0.926 30 20 HCED N#C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 436120006 FODWXOZKOUTDSD-GOSISDBHSA-N 418.519 0.233 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 438013604 PKRLUYOFRFQLLU-AEFFLSMTSA-N 402.499 0.796 30 20 HCED Cc1cccc(S(=O)(=O)Nc2cnn(CC(=O)N3CCN(C)CC3)c2)c1C#N 440805845 KEQPOHKUZPRTCM-UHFFFAOYSA-N 402.480 0.638 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)n1 443258781 XDTXUCHOEUZMIW-HZMVBMFHSA-N 411.849 1.564 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 446529300 ZISWDANBMWVEGD-LJQANCHMSA-N 416.478 0.867 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 448336635 GNORJYITOLGFBY-UHFFFAOYSA-N 401.446 1.167 30 20 HCED CC(C)[C@H](NCC(=O)N[C@](C)(C#N)C(C)C)C(=O)N(C)Cc1nnc2n1CCC2 470994867 GTDNOJLIPTWYBI-AZUAARDMSA-N 403.531 0.851 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 476001225 ULXFUIMJLYFJRH-QGZVFWFLSA-N 404.492 0.576 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477268770 YYJLSCBDYGPNJH-UHFFFAOYSA-N 420.422 0.243 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cnn(C)c2)CC1 482503759 FNFIYOOYOMHWEG-AWEZNQCLSA-N 402.480 0.307 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 484628658 OAEJZEUDFJBHGV-UHFFFAOYSA-N 402.495 0.950 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@]2(CCOC2)O1 485045057 QSYXBCHNEJHXMX-OXQOHEQNSA-N 410.434 0.874 30 20 HCED C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 486016562 HIYUWEOJHGPGCX-ZDUSSCGKSA-N 417.491 0.693 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1 489807689 GSAHWXZTYZSZRZ-OAHLLOKOSA-N 419.500 0.758 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 491149776 RDVNKWMCJUJXDJ-UHFFFAOYSA-N 414.384 0.812 30 20 HCED CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 501020333 NSGWBHMLSQUQLW-UHFFFAOYSA-N 411.455 0.918 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 504096040 NFGUUVDKWLMQAI-HIFRSBDPSA-N 413.521 0.651 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508714314 KVIYMGXRKIUPEB-UHFFFAOYSA-N 410.482 0.521 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1C 509386486 QYPRESOGGZEJOV-UHFFFAOYSA-N 413.528 0.938 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)n1 510607421 PIBPZEXRGAAZTI-AWEZNQCLSA-N 418.255 0.795 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)ccc1Cl 511514351 LORJYRBNEYHQII-UHFFFAOYSA-N 413.821 0.682 30 20 HCED CN(CC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 516604624 XNILJZBVMJKDAU-LBPRGKRZSA-N 406.386 0.600 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCN3CCN(c4ncccn4)CC3)cc2)c1N 524296847 PKVPRANXDXNVFI-UHFFFAOYSA-N 417.477 0.668 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 524427327 NHVXYICIRWDGAJ-UHFFFAOYSA-N 418.422 0.886 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 527117522 MRDLCRZYNVTLQL-UHFFFAOYSA-N 421.523 0.760 30 20 HCED C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)S(C)(=O)=O 533129691 FOPICNJWYPOQMB-ZDUSSCGKSA-N 414.509 0.007 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533380399 KUNQLUAUHXURSA-HZPDHXFCSA-N 412.899 0.238 30 20 HCED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549724161 DDXPEONDEHTTET-KRWDZBQOSA-N 404.515 0.339 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 550641704 JJVQPAJIJYJNCD-UHFFFAOYSA-N 423.535 0.889 30 20 HCED CCc1nsc(N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)n1 553082624 JNNZQZMVWVDRRY-UHFFFAOYSA-N 416.511 1.211 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCCN1C1CCCCC1 554490518 IATKWBBAELNGHI-INIZCTEOSA-N 415.542 1.168 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)n(C)c2n(C)c1=O 554667880 SBTDQJFHWYRIBM-UHFFFAOYSA-N 421.392 1.024 30 20 HCED C[C@H](N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 555055169 LYJQQSNECIRLIW-LBPRGKRZSA-N 404.414 0.932 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCCN2CCCC)CC1 557159671 LYFBGKDCDODLHI-SFHVURJKSA-N 407.559 0.204 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 564082577 WCHDVGMFBFKFBV-VQIMIIECSA-N 402.495 0.759 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)OCC)cc1 566592743 WFPUKOWRSPBEFH-ZDUSSCGKSA-N 411.480 0.890 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)c1C#N 569371187 WAPPSGZROBFLOO-OIISXLGYSA-N 400.483 0.323 30 20 HCED Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 577905103 LRYRKVNCWWLBSK-UHFFFAOYSA-N 412.376 0.954 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCN3CCSCC3)CC2)nc1 587659161 JADBJXZTICNWOW-UHFFFAOYSA-N 402.524 0.203 30 20 HCED C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc(C#N)c1 587689696 MFAYTZGQRXIOKG-FLXRQSBHSA-N 406.442 0.659 30 20 HCED COC(=O)C[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 588214908 YJUMBASULFSXEH-OALUTQOASA-N 418.469 0.798 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@]2(CCOC2)O1 589420794 GTQIDWSPZOTKSG-HXUWFJFHSA-N 410.434 0.874 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)C)C2=O)cc1 604129759 CPDQXDJXBIKOGR-MRXNPFEDSA-N 422.507 0.557 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 615634043 UOEXDEAWUAECAI-QGZVFWFLSA-N 407.427 0.560 30 20 HCED C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 619743108 PGYVXDPSNDZTPS-UHFFFAOYSA-N 402.480 0.993 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cn1 729030380 GNTTZNAJYMWRPR-IAGOWNOFSA-N 406.460 0.414 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 730073710 RPEPPKGYPYPYKY-IKBYJFNHSA-N 419.463 0.189 30 20 HCED C#CCN1CCC[C@H]1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 730096048 ZVDIIOMECSNIMV-INIZCTEOSA-N 407.492 0.752 30 20 HCED CN(Cc1cc[nH]n1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732704452 QUPNIZIBBDIIGB-JWGURIENSA-N 418.479 0.820 30 20 HCED N#C[C@@H](C(=O)C1CCC(NC(=O)C2CCCC2)CC1)C(=O)N1CCS(=O)(=O)CC1 732908415 KLWLWZPYNPTDEO-PREGVCBESA-N 423.535 0.817 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 743947268 WSXXILFGTXVKJN-UHFFFAOYSA-N 404.442 0.445 30 20 HCED O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 752910611 RPBAHFSPUUEVCA-HIFRSBDPSA-N 405.476 0.712 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CC(C)C 753360319 UPYKMSDJFRKPFC-UHFFFAOYSA-N 416.503 0.710 30 20 HCED O=C(O)Cn1cc(/C=C2/CC[C@H](C3CC3)/C(=C/c3cn(CC(=O)O)nn3)C2=O)nn1 759082645 GQXKWBKXPRPFLD-OHYOKWAQSA-N 412.406 0.895 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 763395200 CZWSPYXSZADDLI-MDZRGWNJSA-N 408.524 0.563 30 20 HCED C[C@@H](OC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)NC1(C#N)CCCCC1 766990238 ZEOCTDQNMZIJJF-CYBMUJFWSA-N 410.471 0.902 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767548520 CIUPIFBHIJHBNB-INIZCTEOSA-N 416.482 0.457 30 20 HCED Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1Br 767900924 PQIVCEDMGQRDPQ-UHFFFAOYSA-N 415.269 0.467 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc2[nH]nc(C(=O)OC)c2c1)c1cc[nH]n1 770824702 QBLANWLEQCIEAQ-UHFFFAOYSA-N 414.378 0.995 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)CC(=O)N(C)C1CCCCC1)c1cc[nH]n1 770836316 UPOBWTXLZRHHHM-UHFFFAOYSA-N 407.471 0.943 30 20 HCED CCOCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 772350760 IJOLJYJUGJDZME-SILNSSARSA-N 410.496 0.933 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2ccc(OCCN(C)C)cc2)CC1 776648756 YEIHYDLOXPOVQI-DHZHZOJOSA-N 412.534 0.924 30 20 HCED N#CC1(NC(=O)COC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CCC1 784194592 XMUYTYOGIMBHMF-UHFFFAOYSA-N 408.374 0.807 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)C1CC1 784921278 XQTLXABAOAUSIL-UHFFFAOYSA-N 404.854 0.721 30 20 HCED COc1cc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CC#N)c2)cc(OC)c1 785214715 FILYSHGLJAXUNI-UHFFFAOYSA-N 400.395 0.459 30 20 HCED Cn1c(=O)c2nc(COC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)[nH]c2n(C)c1=O 785298283 ALZDWTWCSODLKE-AWEZNQCLSA-N 408.418 0.544 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789402445 FUPXTRBDRQNWFK-LBPRGKRZSA-N 409.402 0.545 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)c2ccco2)CC1)c1cc[nH]n1 789946875 RCVASLQYBBTPNW-UHFFFAOYSA-N 417.422 0.708 30 20 HCED C#CCN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 790961836 OAOOEMSIGAFJQF-ZDUSSCGKSA-N 405.398 0.709 30 20 HCED CON(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CC2)ccc1Cl 793198155 VRTKRSPBQCULHO-UHFFFAOYSA-N 421.884 0.885 30 20 HCED COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1N)c1cccc(C#N)c1 800231242 ALEYBLOTLMOGED-KRWDZBQOSA-N 403.416 0.876 30 20 HCED COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 802163415 OYIDHLRIXWVTIM-GXFFZTMASA-N 421.479 0.794 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCCc2ccncc2)cc1 805981498 RYZKYNZBXCHFMA-OAHLLOKOSA-N 415.471 0.897 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCCCC3)O2)CC1 806695520 SZTLXPZZVYUMJT-KRWDZBQOSA-N 413.478 0.794 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)nc1 808346388 UOKNOOSFOXJNSA-ZWKOTPCHSA-N 414.510 0.365 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](n2cc(CO)nn2)C1 818155257 GJJBDYSBGAMMNF-AWEZNQCLSA-N 418.479 0.063 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)cc1Cl 844199678 OSWNONXMULYGRF-UHFFFAOYSA-N 421.822 0.663 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 920001815 YOTJYWVVNQPBLH-UONOGXRCSA-N 422.507 0.115 30 20 HCED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1O 970791569 HMGMMZITAJTFMD-KSPMYQCISA-N 401.463 0.763 30 20 HCED CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1142865206 XKGQYYVNDZGLEL-INIZCTEOSA-N 412.471 0.425 30 20 HCED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1212367530 NFOKPHVPESCAMV-LLVKDONJSA-N 408.299 0.633 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1288520604 VHMSYIFQORBVQE-HZSPNIEDSA-N 409.516 0.249 30 20 HCED CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1294856918 JZVBCYBFHZGTCM-HNNXBMFYSA-N 408.528 0.836 30 20 HCED CCC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)C1 1319152923 IJMQUGKRQLRPMQ-ZIAGYGMSSA-N 406.512 0.982 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccncc2)C(=O)OC)cc1 1327475099 NMRXMGSNIHBILT-KRWDZBQOSA-N 415.471 0.755 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnc4c(cnn4C)c3)CC2)c1C#N 1338809131 ZUACUMCGULAWKV-UHFFFAOYSA-N 400.468 0.393 30 20 HCED COCCOCc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1F 1343446399 JAEFHVLDTPNZFQ-HNNXBMFYSA-N 412.439 0.568 30 20 HCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1503807070 NFTZVUOGUUAXDV-UHFFFAOYSA-N 413.482 0.779 30 20 HCED CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503841070 MLHFDSWHMHCRFY-OAHLLOKOSA-N 409.560 0.592 30 20 HCED CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1547240118 WYNFNZDBTCEWAK-QGZVFWFLSA-N 422.493 0.947 30 20 HCED CC(C)(CC#N)CS(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1561127460 KJAZQJLOKDIYBB-UHFFFAOYSA-N 400.526 0.726 30 20 HCED N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c(=O)nc1O 1585292540 OGHQUDDASNQQLL-OAHLLOKOSA-N 407.430 0.479 30 20 HCED CC(=O)N1Cc2ccc(S(=O)(=O)N(CCC#N)CCN3CCOCC3)cc2C1 1621753509 SZPKLZBKDDDCLE-UHFFFAOYSA-N 406.508 0.785 30 20 HCED Cn1cc([C@H]2CSCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1635907976 JGNAHLXBJGWFDF-MRXNPFEDSA-N 405.505 0.887 30 20 HCED CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645093065 XQMXNRDCEAATKX-KMFMINBZSA-N 423.491 0.842 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn1 1650814593 KWCLSSADCIZCPP-LJQANCHMSA-N 406.487 0.761 30 20 HCED 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C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839845974 FDTMVKBBJKOKQN-QRWLVFNGSA-N 420.466 0.230 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1839886695 JCXQPEWDFCDGIZ-CXAGYDPISA-N 403.426 0.166 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839961625 CSLVYZDQRJWBMO-SIKLNZKXSA-N 400.475 0.460 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840048051 PDWUECKGMVGMCJ-BAPGRXHISA-N 412.552 0.965 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1840168468 KGQJAEPOPFNMRY-NRFANRHFSA-N 402.495 0.856 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1847068613 FJBZWPVIGWYOGN-HNNXBMFYSA-N 406.483 0.243 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCOCC2)n1 1847801417 LOEVDTGTMWEWJK-WDSOQIARSA-N 412.490 0.772 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O 1848011660 PHPAMLCBDKDLSN-QWRGUYRKSA-N 422.379 0.825 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 50099621 CTRMAEJYVBFPEB-UHFFFAOYSA-N 406.512 0.599 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCc4ccnc(O)c4C3)n2)c(F)c1 426514709 FLKPNWKBWKLBHR-UHFFFAOYSA-N 406.377 1.507 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430358836 YLQPDOBPMOBWDV-UHFFFAOYSA-N 413.478 0.831 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)n1 436815965 QUGLKDCCKRDNRX-UHFFFAOYSA-N 410.434 0.964 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)nn1CCC#N 439033075 KKKOSJXJHULURE-KRWDZBQOSA-N 408.462 1.050 30 20 HCED Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCC(=O)NCCO 439254794 GARQKLDPRBREBC-UHFFFAOYSA-N 410.430 0.609 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c(=O)n2C 441539327 YHEZACJRTJPRSM-UHFFFAOYSA-N 422.323 0.843 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441929938 CPBBGBHACJLSFU-AWEZNQCLSA-N 424.482 0.536 30 20 HCED C[C@@](O)(CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)CN1CCOCC1 442034329 ZDQKHVNFWGYUSR-HXUWFJFHSA-N 404.467 0.507 30 20 HCED CN(C)CCOC1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460621083 VFZWDWKLADZAAR-UHFFFAOYSA-N 411.466 0.647 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 462700165 LQFVBDSNXQXQRM-OAHLLOKOSA-N 410.517 0.886 30 20 HCED CC(=O)Nc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 468761539 ARSYYTVYKOJUDF-GFCCVEGCSA-N 401.448 0.895 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(CCS(N)(=O)=O)CC2)cc1 471044152 PEKMLCDBICJDMT-UHFFFAOYSA-N 423.539 0.238 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc([S@@](C)=O)c3)CC2)c1C#N 472894216 YXXKTQLWFXGWOB-GDLZYMKVSA-N 414.491 0.625 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)cn2)c1=O 474345959 ASCGPJIGIQYSQF-UHFFFAOYSA-N 400.504 0.679 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OCC)c2ccc(OC)c(F)c2)C1=O 479166501 SBBWYTARZSBCCP-HNNXBMFYSA-N 421.381 0.532 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccon1 480960540 YHUNSWHTFQVCIW-UHFFFAOYSA-N 412.475 0.099 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)c1ccccc1 481119059 NUJGLRCCWJMQFF-CQSZACIVSA-N 421.500 0.815 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)N(C)[C@H](C)C2)cc1 487119247 MJFQMQNNJGJGKE-GASCZTMLSA-N 408.524 0.983 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1=O 501031598 BVPFOAYTPFCWOI-GOSISDBHSA-N 415.494 0.795 30 20 HCED CN1C(=O)CC[C@@H](NC(=O)C(=O)N2CCc3ccc(C#N)cc32)[C@@H]1c1ccnn1C 505736444 PTJFOMAPKDHPLH-DNVCBOLYSA-N 406.446 0.659 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)CN1C 509481391 SWDMWXZOTKOPJL-IAGOWNOFSA-N 419.551 0.416 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 532996921 JQKLALAMJJFPAD-UHFFFAOYSA-N 413.457 0.743 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 539280426 CGVDZFDUVHDPPR-UHFFFAOYSA-N 410.438 0.105 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 540972378 SIDDIKAOYOEQRV-APYUEPQZSA-N 411.466 0.245 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCOC2)n1 543932350 DFNXHCITACUIHE-IAQYHMDHSA-N 403.826 0.849 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 553372421 RWLMIDAXKZNNBO-KRWDZBQOSA-N 412.556 0.170 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 561453692 OMGCSLLQDNQBNN-IBGZPJMESA-N 401.511 0.285 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 562041838 YHZXKNRCZUTUCP-XYJFISCASA-N 405.476 0.443 30 20 HCED CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C 569614278 UJQMCTICKUAZJF-WFASDCNBSA-N 412.537 0.551 30 20 HCED Cc1ccc(Cn2nccc2NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)o1 573635221 XVZDVAZFGFNUCL-UHFFFAOYSA-N 410.438 1.040 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1 574611717 DHCUNJMSNGJXIA-GXTWGEPZSA-N 405.398 0.856 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](N3CCCC3=O)C2)n1 578735562 QDNILAABPZQBMR-CQSZACIVSA-N 407.434 0.691 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 589477772 IZZGDJUOUGEJTR-OAHLLOKOSA-N 400.451 0.935 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(=O)N(C)C 604270202 SQFVRDIAEJEKJK-UHFFFAOYSA-N 418.544 0.335 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)CC(F)(F)F 610503845 PNPAANOOKNBBPG-UHFFFAOYSA-N 408.402 0.964 30 20 HCED CO[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 611943354 DOTGMZKXOUCFCH-SFHVURJKSA-N 420.535 0.892 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cn2c(S)nnc2-c2cccc(C)c2)CC1 728533684 OWSMJNLHIUTPNC-UHFFFAOYSA-N 412.519 0.436 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)CC1 728534087 WTXGNMBYSDIBJV-AQTBWJFISA-N 411.441 0.012 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 729257142 UEDHXGAZDBSEPO-UHFFFAOYSA-N 418.519 0.025 30 20 HCED COc1cccc([C@H](C#N)NC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1OC 729435307 VAPXZOWIGZJXEH-AWEZNQCLSA-N 421.479 0.795 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730619253 UTALOHNYZAQCBA-INIZCTEOSA-N 423.491 0.783 30 20 HCED CC(C)(C)[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 732715019 CZRLZZRKIBAABU-KRWDZBQOSA-N 423.491 0.341 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(C)C 732795402 FVEIJMUTJMNCMF-UHFFFAOYSA-N 417.535 0.609 30 20 HCED CCS(=O)(=O)CC(C)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 733747074 FLYNKAQDZPDRHJ-UHFFFAOYSA-N 402.542 0.845 30 20 HCED Cc1cc(C(=O)[C@H](C#N)C(=O)NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 739154606 KZGJZRMPDOLCFG-AWEZNQCLSA-N 405.414 0.580 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 742053447 HXLLJWYVMKURGL-ZDUSSCGKSA-N 417.491 0.705 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 747881863 NXGGCJWRZVVKIT-UHFFFAOYSA-N 405.476 0.156 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)NCCCC#N)C2)CC1 753260217 DEOCSZPQBVAPLN-UHFFFAOYSA-N 415.516 0.566 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O 763457774 GRNQCLRSKNSHNH-UHFFFAOYSA-N 421.544 0.411 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 765659245 UYRXJWALDTZMAM-KGLIPLIRSA-N 421.548 0.861 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 767540675 YKGWNMIYDKWQLX-OAHLLOKOSA-N 417.466 0.454 30 20 HCED CS/C=C\C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 767653637 TXWGKWMFTMQYGM-WDZFZDKYSA-N 409.489 0.811 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1C 782636578 MBDLAYUGDMGFGD-UHFFFAOYSA-N 424.324 0.218 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)[C@H]1CCS(=O)(=O)C1 783480027 OFTKJOLHEPRTGG-INIZCTEOSA-N 417.487 0.475 30 20 HCED C#CCN(C(=O)C(=O)Nc1sc(C)cc1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 783480059 IDSWUBGQSQSUIP-GFCCVEGCSA-N 412.489 0.821 30 20 HCED CN(C[C@@H](O)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785082737 GZWQFKOSLZTJEJ-ZKCWRFQVSA-N 422.507 0.667 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1=O 787056327 LQGLGZBSWCEWFI-LIRRHRJNSA-N 413.390 0.640 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)NCC1CC1)c1cc[nH]n1 789966418 OSXUPBLTEZKZGW-ZDUSSCGKSA-N 409.468 0.121 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(N)=O 794624166 SKVSMOOHGUETCL-UHFFFAOYSA-N 415.519 0.681 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCO[C@@H](C#N)C1 800105726 VNYGQOYWUFPDPG-ILXRZTDVSA-N 400.501 0.929 30 20 HCED CC[C@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 803784415 CWLJROCOLWFICF-LAUBAEHRSA-N 415.446 0.980 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@H](C(F)(F)F)[C@H](CO)C1)c1cc[nH]n1 804396026 ZNLNQADMYNQGNM-QWRGUYRKSA-N 406.361 0.713 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C(=O)N1c1ccccc1 807653224 AKQPUBMEROAXCK-RHSMWYFYSA-N 406.446 0.792 30 20 HCED CC#CCS(=O)(=O)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 810778611 FUMMMQBLOOCDNV-UHFFFAOYSA-N 414.505 0.109 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812251826 HCGOXCJLJIHTMI-CABCVRRESA-N 409.512 0.222 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)N[C@@H](C)COC)cc1 834861320 ICQVEPZIEHGNPE-LBPRGKRZSA-N 413.452 0.168 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCOC2)c1 918465636 QGYMQWAACLZFRX-PFKVCDDJSA-N 422.507 0.981 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(NC(=O)OC)C1 1255045987 JCZNGJJKUQEAGG-AWEZNQCLSA-N 408.480 0.851 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC1CC1 1288807169 PPRZSYYAKSEPRJ-GFCCVEGCSA-N 409.516 0.154 30 20 HCED COCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1301437518 ISEDPXHBGJKZCQ-KCXAZCMYSA-N 418.495 0.118 30 20 HCED CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CC1 1302425958 QSXKBKLJZUNEML-UHFFFAOYSA-N 400.464 0.330 30 20 HCED CS(=O)(=O)CCOc1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1339772671 XMLYUMIOVLLBKO-ZCXUNETKSA-N 407.448 0.965 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](O)(CC#N)C3)CC2)cc1C 1473584340 RUGCONNZHYFJHX-FQEVSTJZSA-N 420.535 0.487 30 20 HCED 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CCN(C[C@H](C)C#N)C(=O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439288076 SSAVNEOBRCEIEY-GFCCVEGCSA-N 413.466 0.445 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1cnn(CC)c1 440385073 XADOGLARMBIAJP-UHFFFAOYSA-N 420.454 0.385 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)n2)cc1 442286132 AQARCSPTUOOUPG-QGZVFWFLSA-N 406.402 1.330 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 464419049 IXLGGGBZDOMDTQ-OAHLLOKOSA-N 424.523 0.414 30 20 HCED COC(=O)C1CCN(C(=O)[C@@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472160103 PJVIDMMYRATDRL-OAHLLOKOSA-N 402.499 0.522 30 20 HCED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472248583 DGTROYVBXQBSBX-KRWDZBQOSA-N 422.555 0.843 30 20 HCED CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C(=O)C1=O 473579452 XDSMAIRIWJPSQM-QGZVFWFLSA-N 417.897 0.740 30 20 HCED CCOCCOC[C@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 479779718 RQDADMMXCGZLFK-MSOLQXFVSA-N 404.467 0.767 30 20 HCED Cn1c(=O)oc2cc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 481043204 ROLBJDPHNFJUCS-UHFFFAOYSA-N 406.402 0.685 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cn1 485986536 DKCAOPXCURITAM-NSHDSACASA-N 412.449 0.543 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 488998906 BHLAEICTHCMQEY-OAHLLOKOSA-N 424.478 0.976 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 489021739 ZBOFQDPQYYAWGO-UKRRQHHQSA-N 400.456 0.790 30 20 HCED CC1(C)CN(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCO1 492876260 VWIMSMOPMYXNCU-UHFFFAOYSA-N 411.466 0.364 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1=O 501041527 QJGVZXSGOLNIBD-MSOLQXFVSA-N 413.478 0.570 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(F)c2)c1=O 505104469 WEGDLCUKPBTIID-UHFFFAOYSA-N 419.478 0.733 30 20 HCED CN1CCN(C(=O)Cn2cc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn2)CC1 506209885 XGLQSTNHLRTWNO-FQEVSTJZSA-N 418.498 0.857 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3ncccc3c2)c1=O 522284460 OOCQOLSBDZXCNH-UHFFFAOYSA-N 408.483 0.744 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 533033916 AJJIGGFTTUDPMJ-UHFFFAOYSA-N 400.526 0.683 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(Cl)c2)c1=O 535143496 QOTVBUXWUZWTPM-UHFFFAOYSA-N 409.870 0.988 30 20 HCED N#Cc1ccc(CN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C2CC2)cc1 541477493 GTRNGQLDHOSDSX-UHFFFAOYSA-N 402.432 0.720 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@]3(CCN(C)C3)C2)cc1 551371892 FFABFQQCDVFKEU-FQEVSTJZSA-N 420.535 0.986 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCC(=O)NC1CCCCC1 551654174 WAVXTOAGAWBPRB-UHFFFAOYSA-N 403.487 0.210 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc4c3OCC(=O)N4)CC2)nc1 555027324 SVMFOAYLRRJFKU-UHFFFAOYSA-N 406.402 0.571 30 20 HCED C[C@@]1(C(N)=O)CCN(c2cc(N3CC[C@@](C)(C(N)=O)C3)c([N+](=O)[O-])cc2C#N)C1 557671278 PIZUXDOMJYKMOD-RTBURBONSA-N 400.439 0.870 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 562871385 KYICFZPPJUNCPZ-UHFFFAOYSA-N 413.253 0.683 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)CC2)c(F)c1 565443176 IVLHNSNAYNCKFE-KKSFZXQISA-N 416.453 0.800 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 567016064 HGRFEIYGLSSQBW-INIZCTEOSA-N 405.524 0.465 30 20 HCED CCC(O)(CC)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 578692767 FKRQBBLVYUPSAY-KRWDZBQOSA-N 400.479 0.833 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 584809711 DLNIVRDPLOPZRZ-UHFFFAOYSA-N 415.479 0.091 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)n1 588732716 CKNAHAJQQVUHBI-INIZCTEOSA-N 403.874 0.864 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)cc1 589158937 HHJMCJFBSZCDPK-UHFFFAOYSA-N 419.462 0.790 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 589453272 LITXHSQTHOJXDC-RBUKOAKNSA-N 420.535 0.721 30 20 HCED CCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(=O)C1=O 604071838 KPWFNOFPVLFJGC-KRWDZBQOSA-N 401.442 0.225 30 20 HCED C=CCOc1ccc(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 605386896 GSDHOGLCGGZZOB-QGZVFWFLSA-N 421.519 0.313 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 609128713 BCAUWDPVJDSMJF-GOSISDBHSA-N 401.442 0.473 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)N1CCN(C)CC1 612195616 IIGCDGCBKZPPKZ-UHFFFAOYSA-N 417.510 0.664 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(NS(C)(=O)=O)CC1 612201706 OLAVOUOCDBVGMY-UHFFFAOYSA-N 424.479 0.062 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(C)Cc2cccc(F)c2)C1=O 726042786 MOZYWUNOOZUJRC-GFCCVEGCSA-N 405.382 0.693 30 20 HCED CN(C1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1)S(C)(=O)=O 726590323 XRUORXLZZZKNBV-UHFFFAOYSA-N 419.507 0.636 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 726980484 ZHJGARJBCHULPO-UHFFFAOYSA-N 407.496 0.019 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 726981271 PGSWMNFLJLJPJZ-UHFFFAOYSA-N 400.460 0.524 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 727616634 ATZFVVOUWCIYAG-UHFFFAOYSA-N 411.480 0.358 30 20 HCED CC(C)[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)c2ccccc2C1=O 731888715 KAPFGBNMBOAOMA-HMNTXPNISA-N 410.430 0.950 30 20 HCED COc1cc(OC)cc([C@H](O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 735757680 IGVYEBRSFOCJNR-OTZFSBHDSA-N 404.423 0.563 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)C3(C#N)CCC3)CC2)cc1 736841977 QGXOQNRZGKUIQX-UHFFFAOYSA-N 421.475 0.765 30 20 HCED C[C@H](CC(=O)NC[C@@H](C)N1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742671189 FWIQAMZUXVAJJJ-HUUCEWRRSA-N 407.540 0.256 30 20 HCED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 744410869 WXPRWQAJUHKTRW-UHFFFAOYSA-N 418.475 0.386 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)Cc1ccc(F)cc1 748368348 HXQVLDVCXGSTQK-AWEZNQCLSA-N 405.451 0.832 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2OCC)CC1 754309155 RGVRPYUDPHEPFA-UHFFFAOYSA-N 408.524 0.525 30 20 HCED CS(=O)(=O)[C@@H]1CSCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 756944775 CCSWSVJYKAFUCN-CQSZACIVSA-N 417.534 0.061 30 20 HCED N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 757693436 NLLISFNTGVGFOW-UHFFFAOYSA-N 416.415 0.982 30 20 HCED COC(=O)c1cn(C2CN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)C2)nn1 758968876 HBWIBZYNNREQJZ-LJQANCHMSA-N 409.406 0.218 30 20 HCED C[C@H](CO)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 759109058 QLRZEBILPMWHDD-AEWZPABSSA-N 424.523 0.963 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1 760499606 GEKRSKDGEKIHKF-KRWDZBQOSA-N 402.495 0.817 30 20 HCED C[C@@H](C#N)Oc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 769464181 VSBZHKDUELUFIT-FUHWJXTLSA-N 420.535 0.398 30 20 HCED C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H]1CCCO1 773560754 SCELKDYEZKGHNU-HOTGVXAUSA-N 410.496 0.878 30 20 HCED C#C[C@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 775793696 NBHIBPDGNJNGLP-HKUYNNGSSA-N 405.520 0.987 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C1=O 776142524 NDJFTJHQXZQIQU-GOSISDBHSA-N 422.463 0.458 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)c1 777492641 NZTUXOFRASTPKQ-UHFFFAOYSA-N 406.508 0.816 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](O)C2(C)C)c1 778834608 BWERZYPUAMDCEL-HXUBUPQASA-N 422.507 0.714 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2cccc(F)c2C#N)C1 781598831 FHXVWKJITUMLRP-LLVKDONJSA-N 403.457 0.564 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 781601929 LDZZXXKIPLNKJS-UHFFFAOYSA-N 421.406 0.949 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 782987028 HZCZHTBBIMWYMH-UHFFFAOYSA-N 411.479 0.200 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1F)[C@H]1CCS(=O)(=O)C1 783479630 FUDIRAGXMWRROC-JTQLQIEISA-N 414.386 0.339 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 784871074 ZRECCROPEHUUDR-UHFFFAOYSA-N 403.460 0.049 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 785155801 KKSXNWUUZKBWOM-GASCZTMLSA-N 423.491 0.189 30 20 HCED Cc1nn(C)c(N2CCN(CN3C[C@@H](NC(=O)OC(C)(C)C)CC3=O)CC2)c1C#N 788044907 RSUFMSMFUGTLAA-HNNXBMFYSA-N 417.514 0.805 30 20 HCED COc1cc(C(=O)NS(=O)(=O)CC2(C#N)CC2)ccc1OCC(=O)NC(C)C 793195815 BKQDRODHTHDOQX-UHFFFAOYSA-N 409.464 0.962 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801283424 HSYXQYWMRROLAJ-OAHLLOKOSA-N 424.486 0.841 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 803105128 IHUHFLRECRKBLO-ZIAGYGMSSA-N 415.516 0.038 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2CCCN(C(C)C)C2)n1 803561915 AMGMLMSZRPPDHO-GOSISDBHSA-N 403.527 0.728 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)c(F)c1 804055841 IMYSQHBWPVZBBX-DLBZAZTESA-N 415.469 0.325 30 20 HCED Cc1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2=O)cc1 804133670 MOAOXZWOJMDDPO-UHFFFAOYSA-N 412.471 0.909 30 20 HCED CO[C@H](C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 807406753 BTNSQOIVAPNXEU-MMOSJZJFSA-N 410.496 0.931 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1=O 808222188 LAYSULQHYNSAHA-MSOLQXFVSA-N 412.490 0.539 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815552302 XFAAUJUYFDWMFA-AWEZNQCLSA-N 405.455 0.209 30 20 HCED C=CCc1cc(C(=O)NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc(OC)c1OC 916788852 MMYCITSKJQVKEX-UHFFFAOYSA-N 407.448 0.988 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c(C)c1 918268770 HVIWCQSOZWAUFE-UHFFFAOYSA-N 411.418 0.980 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(C(N)=O)cn1C 998829584 KEWMRKMDIQEAEF-LFRCEIEQSA-N 400.479 0.967 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C(C)(C)CN1CCOCC1 1142067350 PZBPLODGTFQTEX-OAHLLOKOSA-N 408.524 0.794 30 20 HCED C=C[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1255031336 NEFYAHFYNUSMAZ-ZDUSSCGKSA-N 417.509 0.752 30 20 HCED C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1)N(C)C 1288673183 LHWVKWASVPKHKJ-DOTOQJQBSA-N 424.509 0.893 30 20 HCED CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2CCNS(C)(=O)=O)CC1 1303943935 HUAVNAPUJWLQAA-UHFFFAOYSA-N 403.512 0.943 30 20 HCED CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1316315367 IYYXONZITYSSPH-APWZRJJASA-N 417.491 0.591 30 20 HCED CN(C1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1)S(C)(=O)=O 1319583730 JLKTZTDANWPWQC-HNNXBMFYSA-N 417.491 0.867 30 20 HCED CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCOC 1500895584 NHDPPUTVYRVZNR-AWEZNQCLSA-N 400.505 0.387 30 20 HCED CC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1512669360 CVDGAXQBJMHOTL-VBQJREDUSA-N 414.532 0.368 30 20 HCED N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 1555990522 ZYZUWJGAYZUPBM-KRWDZBQOSA-N 407.434 0.404 30 20 HCED N#Cc1ccnc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 1657658030 ZGBCFILURCYTEI-UHFFFAOYSA-N 413.459 0.791 30 20 HCED CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1695506174 NMIPCABJJURVEJ-CQSZACIVSA-N 412.516 0.025 30 20 HCED CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCC1 1695921095 SUWZIMPNYJYRSV-CQSZACIVSA-N 403.487 0.451 30 20 HCED Cc1nc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)n[nH]1 1742605100 YDOJXWXLZFOHMJ-OAHLLOKOSA-N 418.527 0.980 30 20 HCED N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(=O)N2CCOCC2)c1 1771531431 ODRXURSAHOEYNQ-QGZVFWFLSA-N 423.477 0.377 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc3ncccn3n2)C1 1778590506 ZPRIKSHUPXSMMR-VEVIJQCQSA-N 404.496 0.570 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1778788242 VVAZEFPDKOBBAK-OXJNMPFZSA-N 416.434 0.066 30 20 HCED CN1CCN(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2(C#N)CCC2)C3)CC1 1778850955 OGMPYZUSSRJMFA-XMSQKQJNSA-N 417.554 0.442 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1779101176 KYEHOCKAIBSAAI-DOXZCSRISA-N 418.450 0.760 30 20 HCED Nc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)s1 1779104038 FHXGIUJCSNHVHN-XJQQXKLYSA-N 423.495 0.698 30 20 HCED C[C@](O)(C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1779134803 PPOPVJHBGQKBJJ-RQCXNCEVSA-N 417.384 0.842 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)c4cn5ncccc5n4)CCO3)C2)c1 1780335290 QRLWNIMKRRXKOY-FQEVSTJZSA-N 405.418 0.686 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(O)cc2F)C1 1780941011 KGLBSQFOLBPBIT-OXQOHEQNSA-N 404.394 0.747 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1cccc(Br)c1)CCO2 1783053373 ZPSBXZCHSSRSCU-FUHWJXTLSA-N 407.264 0.946 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(OC)nn1C)CCO2)C(F)(F)F 1783202881 NKUVGEHBXUMDAB-INIZCTEOSA-N 402.373 0.991 30 20 HCED CC(C)c1nn2ccccc2c1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563126 WWBAGZKDFJSXRI-QFIPXVFZSA-N 424.457 0.989 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)Cc3cccnc3)C[C@@H]21 1784503307 WEGRWLKVGSDTMC-JBDAPHQKSA-N 416.522 0.522 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3nc[nH]n3)C[C@@H]21 1785021158 PNNAHKAFDWTCJM-IHRRRGAJSA-N 411.553 0.796 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785218691 IXTHOEBLRJVNKW-OHFALNGGSA-N 405.455 0.983 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COC)CCO2)C1 1785574179 ANHJJAPJRIHZOR-QRWLVFNGSA-N 409.483 0.379 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(O)C3)C[C@@H]21 1788652608 JFWNZUPNPPVLDF-FEDHCFLESA-N 409.483 0.266 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncnc3C)[C@H]2C1 1788970628 AXKRHFINAMNREY-LEUOFYLZSA-N 402.495 0.951 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(CC)n(C)n3)[C@H]2C1 1789064931 CISHSNQCLCXBNR-MRHSLFKSSA-N 402.495 0.614 30 20 HCED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)[C@H](O)N3CCOCC3)cc2)CCC1 1789553842 BWNRXGMRVXUBAL-IERDGZPVSA-N 415.490 0.809 30 20 HCED CSCC[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789957035 CIXDQIVEEPLRCO-XAJHFOFHSA-N 415.556 0.881 30 20 HCED 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0.941 30 20 HCED CN1N=C(C(=O)N[C@@H]2CCc3nc(NC(=O)C4(C#N)CC4)sc3C2)CCC1=O 1814465028 VILLSSMFZCCVFD-SNVBAGLBSA-N 400.464 0.967 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCOC2=O)[nH]n1 1815194656 LBHTVWMBCWQIAM-HIFRSBDPSA-N 403.439 0.892 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@H](C)n1cnnn1)CC2 1819720122 BDGQMFDRJVDBFN-WDMOLILDSA-N 419.511 0.876 30 20 HCED O=C(C#CC1CC1)N[C@@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819876301 FOKIDFXWDXXUGG-FZKQIMNGSA-N 404.492 0.119 30 20 HCED C[C@H](NC=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1822895014 YKHCOUZPHBCTEM-RDFRODCOSA-N 406.512 0.661 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830057644 IQZIQNULIGNZHH-CNSRZQHFSA-N 405.499 0.464 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)Cn2cnnn2)CC1 1830343431 ZYSYHZBOZUXYCV-QGZVFWFLSA-N 418.498 0.802 30 20 HCED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831029963 VXBDFSHLJYSIIP-NRFANRHFSA-N 402.447 0.113 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1831213027 FVUJROHPWRFEGS-NRFANRHFSA-N 410.430 0.706 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1831215945 VAJAMMFBWSXTTP-NRFANRHFSA-N 409.446 0.213 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1831406106 UPVJEGDKCYSGHD-NRFANRHFSA-N 421.494 0.965 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)NC3)CC2)CC1 1833118652 ZCDHYQWENFZCEX-IAGOWNOFSA-N 418.538 0.123 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1833429779 IFBHQGKUYJYVGZ-NRFANRHFSA-N 414.462 0.359 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1833883231 PXMRWGVDCPPQMQ-NRFANRHFSA-N 424.461 0.379 30 20 HCED Cc1cc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)n(C)n1 1834190346 PYXOJTJPLJLMRK-UHFFFAOYSA-N 401.467 0.002 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)no1)CCO2 1834225886 QEAPSQWHJXHDAY-HXUWFJFHSA-N 421.450 0.562 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnn1CC)CCO2 1834411666 QNWHPHIQOYSRRD-NRFANRHFSA-N 420.510 0.956 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834569042 KXAGOMQBMZDXBX-HNNXBMFYSA-N 415.556 0.194 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1834763392 FZZOKIFRKLXWQR-HXUWFJFHSA-N 410.434 0.251 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccc(F)cc3)CCO2)C1 1834966667 IFFSBQKMSUVOBS-KUHUBIRLSA-N 412.483 0.979 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(C)=O)CCO2)C1 1835207940 TUXMKYCUFHMGOV-TYCQWZJGSA-N 423.510 0.932 30 20 HCED CC1CCN(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)CC1 1835338659 PIPPRLJFELXDGR-NRFANRHFSA-N 404.511 0.478 30 20 HCED CNC(=O)CC(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168622 GGACIUGRONHXEK-UHFFFAOYSA-N 400.483 0.208 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)CC1 1836858086 DBKYBKGEUPSPQM-KRWDZBQOSA-N 415.490 0.971 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1836861446 BEISOYVEAZUNFV-CVEARBPZSA-N 405.495 0.159 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1837393341 PLPIGDUEFLHVHP-UTKZUKDTSA-N 420.510 0.372 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)CC1 1838404863 SOVONPFOYOPKKU-HTAPYJJXSA-N 423.554 0.848 30 20 HCED CC[S@](=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838737301 NSKJNPQQJLNHSG-SLQAJWMNSA-N 422.507 0.115 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)c(NC(C)=O)c3)C2)C1 1839809253 VGHQSPMPPDQFBC-NRFANRHFSA-N 415.446 0.357 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1839809793 LXAQASYIAQOMMC-BTYIYWSLSA-N 417.437 0.034 30 20 HCED C/C=C(/C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1839825032 HNOVMOYLDLNTCQ-YYGICJSGSA-N 409.483 0.938 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839961623 CSLVYZDQRJWBMO-DENIHFKCSA-N 400.475 0.460 30 20 HCED C[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840045023 MTVLBOFXKXKBBO-IERDGZPVSA-N 400.431 0.335 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnc3)C2)C1 1840166624 UULUNGPQTNSIBL-NRFANRHFSA-N 401.463 0.720 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1840472681 AKPGGFWSAOYYBV-OXJNMPFZSA-N 420.514 0.683 30 20 HCED CC[S@@](=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840814054 LUNLICUXEGRRCS-WHLCRQNOSA-N 411.524 0.295 30 20 HCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)CC1 1840815527 WTPZQILAZDUSEC-FQEVSTJZSA-N 419.478 0.480 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)C1 1841171654 UFMCWQOFTBFSAP-OAHLLOKOSA-N 404.488 0.945 30 20 HCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1)C(=O)O 1841262108 NWXDOLUWKNCVGL-INIZCTEOSA-N 403.866 0.958 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1841604936 CPPIYSFZSKAUHQ-HIFRSBDPSA-N 408.524 0.975 30 20 HCED N[C@@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1ccccn1 1842929557 GLZZMZSLBMTSDF-QXJZZENKSA-N 401.467 0.814 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnc3cc(C)ccn3c2=O)C1 1843786410 IUYLREUXWNEDSB-MRXNPFEDSA-N 408.458 0.858 30 20 HCED CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)cc(OC)c2)C1 1844725496 YALFCIKBXUYWBN-UHFFFAOYSA-N 405.476 0.819 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2ccc(N3CCCOC3=O)cc2)C1 1845533599 ZTYRAZLEXMCMLF-UHFFFAOYSA-N 411.414 0.938 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CCc3nc(N)n[nH]3)C4)c2c1 1845582045 IYBNQMNNNNASMF-UHFFFAOYSA-N 419.449 0.585 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)OC(=O)NC(C)C 1847263126 ZEUJKKRWYJVIMY-FLELRFNZSA-N 420.510 0.960 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848074439 YFFUMAXYIYOYBE-KBPBESRZSA-N 405.467 0.130 30 20 HCED N#CCc1ccc(OC[C@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 51403258 NCKSLGRXKPYLCS-GOSISDBHSA-N 400.479 0.259 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 409572900 DMRSOOOKSCEREZ-OAHLLOKOSA-N 407.562 0.061 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 435633486 CJNCKZJLKCQQBP-UHFFFAOYSA-N 400.457 0.131 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)OC)cc1 439430661 JQVAETONMQXIAF-QGZVFWFLSA-N 423.491 0.604 30 20 HCED N#Cc1ccc(CN2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 439461625 LMQJCPZCGZQIKI-MRXNPFEDSA-N 410.927 0.633 30 20 HCED COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H]1C(=O)OC 441870898 QVKSIUVAGWIPSD-GWCFXTLKSA-N 402.375 0.952 30 20 HCED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 441962638 RXKHJNKCGRYHFI-IBGZPJMESA-N 414.422 0.286 30 20 HCED COCc1noc(CN2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)n1 444441165 FIHNGKUHARCSBQ-UHFFFAOYSA-N 422.449 0.814 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@]2(CCO[C@@H]2C)O1 448426037 RFIVRLAISHMGNF-PZPWOCDFSA-N 424.461 0.931 30 20 HCED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)C[C@@H](C)O2 448429189 AQYXDRKAPRGVFK-CKNLXJGOSA-N 410.434 0.872 30 20 HCED N#Cc1ccc(F)c(CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 464043124 KOWBSCAWVQQDKZ-UHFFFAOYSA-N 404.379 0.569 30 20 HCED C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469519286 QKXKVHLCHBUELI-CETDPJCDSA-N 422.485 0.774 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CC(O)(CC#N)C2)CC1 473373484 ZJBNAFCHDMEFGG-UHFFFAOYSA-N 422.463 0.791 30 20 HCED CCNS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 474249909 KMRHKGVGLRWANP-UHFFFAOYSA-N 400.460 0.903 30 20 HCED C[C@@]1(C2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 476262059 VRUHLOGLMLYTFE-VGSWGCGISA-N 423.473 0.886 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H](O)CN2CCOCC2)cc1 481029699 BBXIQKDUHUYTRQ-ZBFHGGJFSA-N 410.496 0.529 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@H]2CCCS2(=O)=O)c(C#N)cn1CCOC 481499654 DDQOQQUAFBLAGX-CYBMUJFWSA-N 412.468 0.882 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482179944 NRNLLHKLKOPOHS-IRXDYDNUSA-N 421.567 0.615 30 20 HCED CC(C)N1CCC(O)(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 483119382 MFHYLDYJAMPGBQ-OAHLLOKOSA-N 408.524 0.577 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 485667468 AUCHSDIYDJPIGH-AWEZNQCLSA-N 411.505 0.769 30 20 HCED CC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 486481203 SSOHPMFVNMQZJM-ROUUACIJSA-N 413.478 0.596 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(-c3ccc(F)c(F)c3)no2)c1=O 486871904 IMTGWEDYFRDRJM-UHFFFAOYSA-N 403.345 0.920 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 490381943 WYXNRWYHYQZQHC-AWEZNQCLSA-N 417.441 0.027 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC)cc1 493529270 QJSICQOHAYRHCV-WFASDCNBSA-N 415.537 0.660 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 494685785 LYULJDIEMNXCPJ-MRXNPFEDSA-N 402.480 0.696 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 497497390 ZCDHDFUPESALKR-UHFFFAOYSA-N 404.496 0.631 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 499807640 GPJUHZNYYBPZHS-IRXDYDNUSA-N 400.435 0.805 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 504755692 JRBFRDFBPZOVEF-MRXNPFEDSA-N 406.464 0.150 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)nn1CCC#N 507643705 XZFYMHDPEXBUBY-KGLIPLIRSA-N 410.500 0.268 30 20 HCED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508935328 NGLHLICPLNPIIK-FUHWJXTLSA-N 404.515 0.542 30 20 HCED C[C@]1(C[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)NC(=O)NC1=O 510484396 FYDBCDZRLVDRCZ-QLJPJBMISA-N 407.408 0.608 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C1CC1 511079537 ZBULRBYWFXZHTD-UHFFFAOYSA-N 423.494 0.541 30 20 HCED CN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 511222293 OAWMXCLTOPGGNG-UHFFFAOYSA-N 415.324 0.952 30 20 HCED C[C@@H]1CSCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 517546832 GBGPYCJDQIVKAY-WMLDXEAASA-N 400.504 0.987 30 20 HCED Cn1cc(C(=O)NCC2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)cn1 524352629 NPGSCGXNRBFELL-UHFFFAOYSA-N 408.462 0.690 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccncc2)c1=O 527279926 AMFXVLYPAPGWCV-MRXNPFEDSA-N 413.499 0.840 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ccn(CCC#N)n2)cc1 530824232 MMIMEFLONHJVCB-UHFFFAOYSA-N 405.436 0.890 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 538601601 YYAJVZIBIHZCFF-CQSZACIVSA-N 421.523 0.829 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1C#N 540682968 CXRHJLUAKZZAPJ-ZDUSSCGKSA-N 408.480 0.776 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 553271672 BYATXTCJRJEEGY-UHFFFAOYSA-N 411.506 0.920 30 20 HCED COCCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 554150216 HYSOHFFDEGTIIU-KRWDZBQOSA-N 417.485 0.573 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)C2)nc1 556327128 QFHPLCWCXXZROW-OAHLLOKOSA-N 423.429 0.826 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 556501586 VMRYMTAHXOCEBD-IBGZPJMESA-N 413.522 0.807 30 20 HCED N#Cc1cc(C(=O)NCCNS(=O)(=O)Cc2ccon2)cnc1C(F)(F)F 560201012 UZYHDJWCQHMRJL-UHFFFAOYSA-N 403.342 0.809 30 20 HCED COC(=O)c1cccc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 564516864 IXFHBIIJAIYIBE-UHFFFAOYSA-N 401.444 0.982 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2n[nH]cc2Br)n1 568736693 XPMQRIWUJBMDKB-UHFFFAOYSA-N 415.211 0.879 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1=O 573329009 CIDGYAYJBXGENB-IAGOWNOFSA-N 416.453 0.288 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCOc3ccccc32)CC1 573907639 RNXWZINKJSVYJN-INIZCTEOSA-N 400.479 0.115 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCN1CCc2ccccc2C1 574105278 LOFWIHUXQCFKHU-UHFFFAOYSA-N 409.494 0.429 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)c1C#N 576625491 KEUUMKULXLRZSJ-UHFFFAOYSA-N 404.496 0.967 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(CC(F)F)CC3)CC2)nc1 587648109 QUQQNWZVJXVUPJ-UHFFFAOYSA-N 406.437 0.448 30 20 HCED CN1CCN([C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)c2cccs2)CC1 588123751 ISYVJINDSUMJLG-KRWDZBQOSA-N 418.567 0.257 30 20 HCED N#Cc1cc(O)cc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 589197169 ZAMFNNRRSGVCJG-UHFFFAOYSA-N 415.427 0.838 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)nc1 608951560 OIAUHIRZJMZYJB-HZVDNRATSA-N 405.458 0.845 30 20 HCED CCN(CC)C(=O)COc1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 609341882 BTTGCNJSZZLKOF-UHFFFAOYSA-N 415.494 0.976 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)CC1 610532120 ZPHKXHGKLQJBGH-UHFFFAOYSA-N 422.869 0.512 30 20 HCED Cc1ccc(C(=O)NCC(=O)NCc2ccccc2)cc1S(=O)(=O)NCC#N 726883725 FXJNVDQTHGKVOO-UHFFFAOYSA-N 400.460 0.843 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 728294502 DKUCYCZBEIZSCC-UHFFFAOYSA-N 417.484 0.347 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCNC(=O)OCc2ccccc2)CC1 728530433 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20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748737810 HZDOKBYYSWSHIE-ZDUSSCGKSA-N 410.521 0.493 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1C#N 752382778 VEDYWOHENVUYLX-UHFFFAOYSA-N 415.328 0.860 30 20 HCED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755550479 KDMZUZNTXKJYSK-OCCSQVGLSA-N 403.439 0.508 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 757053316 POZDIVQEPYGLJM-GOEBONIOSA-N 413.521 0.046 30 20 HCED CCn1cc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c([N+](=O)[O-])n1 758644400 LYUFWPMBXHDIKE-MNOVXSKESA-N 414.444 0.849 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)COc1cccc(F)c1 765888835 BEJWYQOMJREUHR-CJNGLKHVSA-N 421.450 0.920 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 766858576 BODVJKGVXJFELP-UHFFFAOYSA-N 416.482 0.679 30 20 HCED O=C(COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)NOCc1ccccc1 769242944 QLLLKLDGCIVHBS-UHFFFAOYSA-N 417.443 0.906 30 20 HCED COC(=O)C[C@@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 771654070 VSEDXIHLVPQASZ-IBGZPJMESA-N 423.491 0.734 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 773560439 RLQGGIKYZGMVJT-MSOLQXFVSA-N 407.492 0.892 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1 774225063 IEOIXLUKIVNMGS-UHFFFAOYSA-N 412.443 0.684 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(N)=O)CC1 774292099 KYKVTXFLOMOKHV-CQSZACIVSA-N 422.507 0.123 30 20 HCED C#C[C@@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775807286 QRNPPZDEBZUAJJ-MSOLQXFVSA-N 407.492 0.416 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 783346581 GBXYLVUPUDPYQF-HZPDHXFCSA-N 423.535 0.951 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[C@@H](OC)C3)CC1 784732154 NAMBFMCZBVDXRQ-SFHVURJKSA-N 400.479 0.185 30 20 HCED CNC(=O)NCCC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 796764717 PFBFSPURXIVCEW-HNNXBMFYSA-N 402.411 0.271 30 20 HCED C[C@H](C#N)OCCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 801822029 ZYKZCOMBSFIRAZ-CQSZACIVSA-N 411.480 0.859 30 20 HCED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 802507537 HVFDPEWDXBWHSF-UHFFFAOYSA-N 404.496 0.981 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 809311788 ZREPUSVQBLSTSH-QZTJIDSGSA-N 401.438 0.844 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)n1 810414669 ZZOAXFJOIPWBPY-UHFFFAOYSA-N 408.172 0.575 30 20 HCED Cc1nsc(N2CCN(CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)CC2)c1C#N 811786348 WTJQDZCFSYHENE-HNNXBMFYSA-N 413.507 0.754 30 20 HCED Cc1nsc(N2CCN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)c1C#N 812272730 PINPYPOCLZXXEL-UHFFFAOYSA-N 418.504 0.469 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc2n1CCC2 837010485 BNKCKRBXTQURNF-AWEZNQCLSA-N 416.507 0.994 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCN1C(=O)CCC1=O 913272707 LZJHXYGDAAYMGZ-NRFANRHFSA-N 411.414 0.844 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1 915785066 FLOWRAQCZCODHU-UHFFFAOYSA-N 420.429 0.769 30 20 HCED N#CCOc1ccccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 920632451 OEKZWRJEIULEBZ-UHFFFAOYSA-N 417.443 0.752 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(C)c(=O)nc1O 1002774096 AHSLITLBERTGFH-HPCJDURASA-N 402.451 0.329 30 20 HCED C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C(=O)N1c1cnn(C)c1 1116154910 OAABPMAQPPDUKZ-SIIHOXLZSA-N 406.446 0.955 30 20 HCED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CC(N)=O)C(=O)C1 1171026694 UJGSSROWDGUTOX-LBPRGKRZSA-N 403.508 0.845 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1224127659 RKALGXJUPNJEJL-FJBKBRRZSA-N 408.480 0.754 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1256280209 VBZCKGVDCMMKOL-DLBZAZTESA-N 410.927 0.826 30 20 HCED CN(C)CCNC(=O)c1cccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1318856749 RJMZEBOFGQEYPD-XUTLUUPISA-N 413.478 0.511 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1359717996 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CN(C)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1729327614 PZJCUWXSVFCPDC-MRXNPFEDSA-N 417.514 0.240 30 20 HCED CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N)OC 1744150198 NTKQXHKEDWXIIM-RRFJBIMHSA-N 414.532 0.774 30 20 HCED Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCNS(C)(=O)=O 1751928604 SLFXINGAUDNTQO-UHFFFAOYSA-N 420.499 0.199 30 20 HCED CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNS(=O)(=O)CC 1764914104 UTQDKLDNQFBWMV-UHFFFAOYSA-N 417.539 0.978 30 20 HCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1767614246 ZXDYTIKXCKOGCA-VXKWHMMOSA-N 423.521 0.846 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018696 CBOFIKCKXRSTHI-XOWGOQOESA-N 420.510 0.797 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1779038069 OENJYAIOGGPYMM-KDOFPFPSSA-N 413.544 0.101 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062683 FSFXDAYHLWLKRT-HTAPYJJXSA-N 419.522 0.382 30 20 HCED 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UYOAOYDJEYRHIW-UHFFFAOYSA-N 403.416 0.836 30 20 HCED N#Cc1ccc(S(=O)(=O)CCNCCCN2C(=O)NC3(CCCCC3)C2=O)nc1 564202881 CZOYZBJJPPZKID-UHFFFAOYSA-N 419.507 0.961 30 20 HCED N#Cc1cc(Br)ccc1CN1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 570504144 AKPGGIWZIQTKGD-HZPDHXFCSA-N 414.325 0.596 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)c1 570973923 VGEYUQQQOOMHIX-CYBMUJFWSA-N 400.460 0.960 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC([C@H](O)C(F)(F)F)CC2)cc1 571011115 VGBLQAORKTVUIJ-HNNXBMFYSA-N 405.398 0.998 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)NCCCOCC)CC2)CC1 575032624 WUNPBHUCVYWFDT-UHFFFAOYSA-N 408.543 0.534 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 583951841 UPKDBMRBKCCIQX-KRWDZBQOSA-N 423.521 0.893 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1 606115180 DEFSKEOYQRKMGG-UHFFFAOYSA-N 408.524 0.890 30 20 HCED COCCN(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608894285 OTTHBIJLNNUXNL-UHFFFAOYSA-N 409.512 0.152 30 20 HCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 608911528 HZZRVZKGMVNJDF-UHFFFAOYSA-N 422.441 0.676 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1CC=C 613078635 XFRHXFHNGRWURH-UHFFFAOYSA-N 413.455 0.589 30 20 HCED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670232767 MWJLOKANTKSOSH-OAHLLOKOSA-N 416.548 0.507 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2Br)CC1 670851447 WGLVMKVXABJDQT-UHFFFAOYSA-N 423.311 0.512 30 20 HCED N#Cc1cccc(OC2CCN(C(=O)NCCS(=O)(=O)N3CCOCC3)CC2)c1 729226823 FCMPJXVXJOBKCN-UHFFFAOYSA-N 422.507 0.773 30 20 HCED COCCN(C)CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 731474090 LGDBZCQNWXDBLJ-INIZCTEOSA-N 410.540 0.834 30 20 HCED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732467440 XDFWLSVWFPREHJ-VCYIRHBJSA-N 418.542 0.713 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1=O 733119540 YKHMTYQNLOTJCN-BETUJISGSA-N 408.455 0.820 30 20 HCED C[C@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCC#N 738680426 ZWUOGXAEWFVEJI-LBPRGKRZSA-N 412.424 0.519 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739830710 ITUHEXCJHSBFLK-UHFFFAOYSA-N 417.834 0.586 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 743207137 ZBSKCZJNVPKANB-UHFFFAOYSA-N 417.495 0.985 30 20 HCED CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 743905204 RURJHJXNJSGHLV-GFCCVEGCSA-N 415.855 0.453 30 20 HCED CCOC(=O)c1csc([C@H](C#N)C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n1 744072367 RWQGRNSBIBIGCA-LXOGICJWSA-N 403.416 0.658 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCC2(CC1)OCCO2 748357212 QKQVZTJFDNBZHP-UHFFFAOYSA-N 423.491 0.280 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1OC 755325247 FXENGMSYKUUKKU-BXUZGUMPSA-N 407.452 0.485 30 20 HCED N#CCCn1ncc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1-c1ccccc1 758172616 OOPIYSPNJZSNIK-UHFFFAOYSA-N 417.491 0.856 30 20 HCED CCOCCS(=O)(=O)NCC(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 767376581 ZQYJGDNZJYRYTL-GFCCVEGCSA-N 401.466 0.224 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCOC3)c2=O)cn1 772311361 MEZSDAXQWXXBNI-CYBMUJFWSA-N 411.487 0.025 30 20 HCED C#C[C@@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 775386203 UWLZDPXPWQEBJS-MFKMUULPSA-N 405.398 0.756 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 777252136 NUVYPBRWDPFSLJ-QKPAOTATSA-N 412.487 0.865 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780933265 IXCIMFLZRXRHHZ-SJCJKPOMSA-N 416.459 0.643 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N(CCCOC)[C@@H]2CCS(=O)(=O)C2)c1 782969770 ZOYUUGDOCCQSCH-MRXNPFEDSA-N 408.476 0.689 30 20 HCED C[C@@H](CC(=O)N1CCC2(CC1)COC(=O)N2)/N=C1/NS(=O)(=O)c2ccccc21 784750978 XMFVHQDQFGTLPV-LBPRGKRZSA-N 406.464 0.605 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1 786548111 HKIRSJSWJJWVPX-OAHLLOKOSA-N 402.451 0.961 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787727108 WGNLOERKSLTFDL-WCQYABFASA-N 411.484 0.198 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789118130 LWDMQXZCGJTDRV-FZKQIMNGSA-N 408.455 0.153 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 789147373 JOOKWGQFXFEOLR-UHFFFAOYSA-N 409.403 0.385 30 20 HCED CS(=O)(=O)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 793998140 NOBBBNYMYHPUBU-UHFFFAOYSA-N 413.521 0.589 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)c2ccn(-c3cccc(C#N)c3)n2)n(C)c1=O 798801094 UIXWJFPAHCDLHQ-UHFFFAOYSA-N 419.401 0.348 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCCOC)C(C)C 799272398 CEPINBDGTCXBRV-NSHDSACASA-N 409.464 0.671 30 20 HCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 802465110 IBIZBBNEAWWBRI-MRXNPFEDSA-N 405.480 0.998 30 20 HCED Cc1nnc(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1C 803174623 MLMAVIXAAAOURW-HNNXBMFYSA-N 418.523 0.936 30 20 HCED N#Cc1ccccc1/C=C\C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 806317233 CEIRRBOSOMHUBK-XFHJGTJQSA-N 417.487 0.446 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)C(C)(C)C 808316021 OPTDNVVZAFMFJQ-JYJNAYRXSA-N 400.545 0.716 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)OC2 808928722 MYZQQLZHIYCSCQ-LBPRGKRZSA-N 406.402 0.694 30 20 HCED NC(=O)Cc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 811585934 QUFHTPTZQKTJSU-UHFFFAOYSA-N 414.487 0.850 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 818036380 TYOCBWFNZPMAMB-UHFFFAOYSA-N 408.480 0.916 30 20 HCED Cc1cccc(NC(=O)[C@H](C#N)C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 916896724 AWRIQRQYBPJONJ-NUEKZKHPSA-N 403.460 0.678 30 20 HCED C=C(Br)CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 921043175 HKZXALANURLGKY-UHFFFAOYSA-N 402.270 0.446 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)N(CCC#N)CCN3CCOCC3)c2C1 1116773724 VTEPGSKRXGEWNV-QGZVFWFLSA-N 402.499 0.270 30 20 HCED Cc1nn(C)c(C)c1[C@H](O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1159426384 MFQZVWOABPFWLM-XHDPSFHLSA-N 419.507 0.704 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nncn1C 1303848985 KJVIQFJNQPVZBA-WBMJQRKESA-N 407.504 0.195 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1310558704 ZVRFISKFESVOQI-TZMCWYRMSA-N 414.509 0.870 30 20 HCED CCOCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1314281542 UOXSRVPPWMGUMO-KBPBESRZSA-N 414.532 0.680 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1324457644 LXFCPDSPPMBWOI-CYBMUJFWSA-N 413.521 0.398 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCNC(=O)C1CC1 1513919216 YNUFTWSMPJLIEW-UHFFFAOYSA-N 411.514 0.607 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](COC)OC 1513925973 ZBQLOLDIJJROBH-HUUCEWRRSA-N 400.487 0.879 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)CC2=O)cc1 1569041519 NTHIHAAMZVQGRU-GDBMZVCRSA-N 405.480 0.085 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CC[C@@](O)(CC#N)C1 1659155142 IXPYDSPTNWWMQZ-ACJLOTCBSA-N 410.496 0.623 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1ccnn1 1741931379 NKYJQZXWCKTGLA-YOEHRIQHSA-N 421.531 0.700 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1750079072 MQDPSOGBJMGFPP-CQSZACIVSA-N 409.516 0.032 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065197 VKUINRZCSLTEOU-KPLVRAHFSA-N 405.539 0.888 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1779338097 LKBBXLKQLYPIEZ-JXXFODFXSA-N 405.499 0.365 30 20 HCED COC(OC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396366 YREIBQRCRXKSQS-DYESRHJHSA-N 422.522 0.818 30 20 HCED N[C@@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1cccnc1 1782010232 CSPMIUVOHZSOOK-CSODHUTKSA-N 414.462 0.073 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COC(=O)C(F)(F)F)C2 1782182366 OEBORRCBWZUHMU-FIXISWKDSA-N 412.430 0.924 30 20 HCED 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N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2 1846980429 BVUYSVLPTGUMMX-UHFFFAOYSA-N 407.430 0.397 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1847090668 ARGCKZNJGHJTKX-ZDUSSCGKSA-N 419.482 0.262 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NS(=O)(=O)CC 1847785711 YIJZQBLVJQFYFF-CBBWQLFWSA-N 401.529 0.089 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 31078980 SVXLXYNODNAZDY-UHFFFAOYSA-N 401.448 0.572 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 31107197 LIDQGMAAJFVZFA-UHFFFAOYSA-N 409.487 0.953 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 55820747 CTZYDRWXBYLFKC-UHFFFAOYSA-N 410.434 0.378 30 20 HCED CC(C)CN(C(=O)CN1CCC(C#N)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 60893681 PXIORFDXWJTFIX-UHFFFAOYSA-N 404.515 0.999 30 20 HCED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)CC1 108710276 CSYHRRQIHVBSGR-UHFFFAOYSA-N 410.584 0.985 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 409550182 DOQXPPRZFBBFNV-LLVKDONJSA-N 419.485 0.336 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c1 427256402 KXXDISCOXMGALB-UHFFFAOYSA-N 403.464 0.373 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 434761114 ZLASURBOZVZWGA-OAHLLOKOSA-N 423.491 0.902 30 20 HCED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 435242649 MRSYARSBJQYWPH-CQSZACIVSA-N 414.441 1.001 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccc(O)cc3)CC2)CC1 436714297 HTNXPOIVQLPBHK-FQEVSTJZSA-N 413.522 0.842 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1 440947666 ZKNBRGUNCFIMNK-HOTGVXAUSA-N 422.507 0.592 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 443686489 XWORKBIHLVAACG-UHFFFAOYSA-N 414.512 0.863 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 465126162 DSVSVKGZXDHGGX-YOEHRIQHSA-N 418.457 0.904 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465509271 USZGVZCOKLPYDL-UKRRQHHQSA-N 408.484 0.131 30 20 HCED COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccn(C)n1 470766206 QGDHIGFCRUJYJX-HNNXBMFYSA-N 405.436 0.256 30 20 HCED N#Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)ccn1 474291553 HEGIGHCCAGNXHK-AWEZNQCLSA-N 420.472 0.671 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 478849103 BRSGVQIFWYBFDF-CYBMUJFWSA-N 424.457 0.880 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)cn1C 483528711 XHUDDUZVMULMSC-CQSZACIVSA-N 416.507 0.934 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)CC2)nc1 492580514 DVOVBJDAHMEHGC-UHFFFAOYSA-N 422.445 0.495 30 20 HCED N#C[C@@H](c1ccc(Br)cc1)N1CCN(Cc2nc(=N)[nH]c(=N)[nH]2)CC1 501055364 VRRNUQHGYCYCQO-ZDUSSCGKSA-N 403.288 0.842 30 20 HCED N#Cc1c(CCCNC(=O)N[C@@H]2CCS(=O)(=O)C2)nn(-c2ccc(F)cc2)c1N 503463035 FMTQURAKCABANA-CYBMUJFWSA-N 420.470 0.884 30 20 HCED CNC(=O)Cn1nc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1C 503854281 DSFKPBORCBMJPW-UHFFFAOYSA-N 404.452 0.300 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@](F)(CO)C2)cc1 509469910 BQTGQKKDXWSZRQ-GOSISDBHSA-N 413.471 0.755 30 20 HCED CCc1nsc(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 512474585 LYIYCFRWKYIUNU-INIZCTEOSA-N 405.572 0.915 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCS1(=O)=O 513283882 HMCOEYIKCMCUMT-UHFFFAOYSA-N 419.438 0.857 30 20 HCED CN(CC(=O)NC[C@@H](O)COc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 517089973 XZCCZKLCPUCKQR-MRXNPFEDSA-N 421.450 0.874 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 532622120 BYXQYFJXWBHFSH-KFKAGJAMSA-N 420.535 0.985 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1=O 535690061 PBDWRSGHWJNTGG-UHFFFAOYSA-N 419.844 0.556 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN2CCCC2)c2ccc(OC)cc2)C1=O 536094227 CWPAJNPIFXNELU-KRWDZBQOSA-N 414.462 0.925 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1C 537878236 CTKWQTSUFPEWSW-UHFFFAOYSA-N 409.512 0.983 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)CN1CCOCC1 541145733 MGXGJCUVNGAYSR-AWEZNQCLSA-N 414.441 0.906 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 542451833 RGGOTUAKFRUABE-LSDHHAIUSA-N 421.475 0.558 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)n2)c(Cl)c1 543005862 ZBZWTIKCOJHPAM-LBPRGKRZSA-N 413.825 0.572 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(NS(C)(=O)=O)cc3)no2)C1=O 545007022 GXUWTBCLYPQZJC-UHFFFAOYSA-N 405.392 0.585 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCO1 555938750 VCEDZUOJDUUYTB-ZDUSSCGKSA-N 409.240 0.623 30 20 HCED CNS(=O)(=O)c1ccc([C@H](C)NCCS(=O)(=O)c2ccc(C#N)cn2)cc1 557499195 CJSAHGXLQUEVRV-ZDUSSCGKSA-N 408.505 0.986 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)C(=O)N(C)Cc1nnc2n1CCC2 557838496 KOVHYDYUDQBZIH-MRXNPFEDSA-N 406.468 0.650 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn([C@@H](C)COC)n1 559060008 MEHZAJBNSZTVEE-ZDUSSCGKSA-N 401.423 1.565 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 563467816 HPNDFDMTISEGIK-QGZVFWFLSA-N 423.477 0.566 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CC(NS(=O)(=O)c2ccc(C)cc2)C1 571127898 BTTAIDSYHIVYTL-UHFFFAOYSA-N 416.525 0.064 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 579409081 BZRDYKYBMVEWIW-CYBMUJFWSA-N 413.496 0.717 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 582271940 WDLHEJAIDAGPLI-UHFFFAOYSA-N 422.488 0.524 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 584263528 BQGGUPZOTPNBOR-UHFFFAOYSA-N 416.507 0.536 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)O1 594743259 GAQHDKKDGOVQCL-GJZGRUSLSA-N 408.524 0.841 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1CC(N)=O 609416447 CWNPMSPMDAIBEQ-UHFFFAOYSA-N 412.515 0.431 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1 609954252 YJJMHQCKCDNBGC-UHFFFAOYSA-N 406.446 0.747 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 610810768 HHURZOTYXVFERB-BBRMVZONSA-N 423.491 0.794 30 20 HCED Cc1nc(=NC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)n(-c2ccc(C#N)cc2)[nH]1 610893811 VYTMAOFUAAFGBY-GFCCVEGCSA-N 403.464 0.790 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)C1=O 623217222 OJTFPEHTIKAOOT-UHFFFAOYSA-N 416.409 0.477 30 20 HCED CCS(=O)(=O)CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 727741922 KYEQFMXWJUQJML-AWEZNQCLSA-N 415.537 0.691 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 730105735 NRYQXCKOMKWDMU-KRWDZBQOSA-N 420.491 0.745 30 20 HCED CC(=O)NC1(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCC1 731255579 UWIDTCHUYPZRFC-UHFFFAOYSA-N 403.439 0.495 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCOCC 732796413 FBFOTULOIFUXRX-UHFFFAOYSA-N 417.535 0.753 30 20 HCED C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 732956469 IGCKWEOTWUCNDJ-SFHVURJKSA-N 420.491 0.915 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(OC)c3)c2=O)cn1 743727948 YGDVDHZRXKTLMG-UHFFFAOYSA-N 407.455 0.777 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 744759148 HVKSFZHVVWMUEO-DUVNUKRYSA-N 421.425 0.274 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)CC1 746504058 XCQZWQLQBHPUBV-GOSISDBHSA-N 415.513 0.548 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CCO)C2CC2)cc1 749742103 RSYIDMLMLVGUHR-ZESIPNTPSA-N 422.507 0.715 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)NCc2ccccn2)c1 753760636 AZDDUPMVCZVGEA-UHFFFAOYSA-N 400.460 0.429 30 20 HCED C#CCN1CCC[C@H]1COC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 756548616 BNDJSSLIAPWRKW-HNNXBMFYSA-N 406.460 0.732 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 758068044 JYOBOAZOFHLTON-UHFFFAOYSA-N 402.819 0.354 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1 761010747 LXCYBRJWULSLAX-AEGPPILISA-N 406.487 0.991 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761172564 OBZZTMDVIOIWTR-AAEUAGOBSA-N 412.443 0.501 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)[C@@H]1CCCO1 773797461 NGNUMTZVKFHKIN-ZBFHGGJFSA-N 400.435 0.392 30 20 HCED Cn1cc(S(=O)(=O)NN=C2C[C@@H](OCc3ccccc3)C2(C)C)c(=O)n(C)c1=O 776777072 PXVWBVTZBBUFSQ-MRXNPFEDSA-N 420.491 0.734 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1-c1ccc(C(N)=O)cc1 782250630 ZJAXGVVMTNRDPX-UHFFFAOYSA-N 423.435 0.994 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 783012694 WVERMEPWFUBBDB-UHFFFAOYSA-N 408.524 0.231 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 793205469 OUSYBHJKJQLFDP-UHFFFAOYSA-N 413.477 0.071 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2C(=O)c3cc(F)ccc3S2(=O)=O)CC1 799913577 NBPFWBSEOLEIKW-HNNXBMFYSA-N 408.455 0.663 30 20 HCED C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOC)CC1 802510862 WDDOYENFBHBQKG-UHFFFAOYSA-N 417.539 0.640 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc3c2CNC3=O)C1 806970951 KBARRTGJWLHTMJ-NHYWBVRUSA-N 413.434 0.744 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1C#N 809503770 IUEHDFIGSNDHLF-OAHLLOKOSA-N 400.479 0.895 30 20 HCED COCCOC(=O)c1c(NC(=O)C(=O)N(C)CC(C)(C)C#N)sc(C(N)=O)c1C 815802238 RUJGDEFQEPYMKZ-UHFFFAOYSA-N 424.479 0.905 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C1CC1 917792010 SZDILZGFORSFRN-UHFFFAOYSA-N 404.517 0.665 30 20 HCED CCc1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 1229003693 SBLTZMIRPCTAFZ-UHFFFAOYSA-N 403.468 0.455 30 20 HCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)[C@H](C)C1 1301721204 GSNZORZLRRFNCZ-OPAMFIHVSA-N 423.521 0.940 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 1302327174 JNNOOCHEASMKKG-KDOFPFPSSA-N 416.459 0.862 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CCO1 1315014820 XSJOXKNXAAVODT-SFHVURJKSA-N 420.477 0.973 30 20 HCED Cc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1S(=O)(=O)NCC#N 1318620224 JOOOOXBEQJGDGB-UHFFFAOYSA-N 405.480 0.427 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3ccn(CCC#N)n3)CC2)cn1C 1339192081 WBQCGSCVBCUVHA-UHFFFAOYSA-N 405.484 0.878 30 20 HCED N#Cc1cn(CCC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(=O)nc1O 1464677405 LXXFJHGXRHNJME-UHFFFAOYSA-N 420.429 0.677 30 20 HCED COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1C#N 1471543592 VQPMJLFBYZHCTQ-MEDUHNTESA-N 409.489 0.972 30 20 HCED Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1S[C@H](C(N)=O)c1ccc(C#N)cc1 1640787216 PVRPHSJRXDQSDQ-WFASDCNBSA-N 405.505 0.983 30 20 HCED N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1652032605 IIMRYBMHKYTTNQ-UHFFFAOYSA-N 404.423 0.392 30 20 HCED C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1CNC(=O)OC(C)(C)C 1662358653 ZMKUWSIPFHHMKI-KFWWJZLASA-N 402.517 0.938 30 20 HCED N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC(=O)NCC(F)F)cc1 1698485596 JEHNXLMEEUHQEJ-UHFFFAOYSA-N 417.420 0.900 30 20 HCED CCS(=O)(=O)N(C)CCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1710885692 MKANSQIQHDABLC-QGZVFWFLSA-N 422.490 0.849 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1cn[nH]c1 1761481748 UGFHTKODNATNNG-CYBMUJFWSA-N 406.516 0.984 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CC2)CC1 1761554349 NKJWWBBAPFTCMJ-ZDUSSCGKSA-N 406.512 0.936 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778714561 VQLFXULLFYKVQP-NSPYISDASA-N 403.460 0.583 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1778968926 ZNJGBYDWGZGBOK-FOIQADDNSA-N 406.483 0.445 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020828 ZXYLYWAGQYGOOJ-AAOPIFSGSA-N 421.542 0.593 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1779060534 FFEYQMMLLIAXKX-JOCHJYFZSA-N 414.506 0.871 30 20 HCED COCC1(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)CC1 1779100422 WDYHCWHXCXWHGG-FXYZYZMWSA-N 409.483 0.772 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1nccn1)C2 1779366106 PJIFSODFTJWTIV-CSCWPXRKSA-N 417.514 0.264 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1780802557 WLIMIITWBAHREK-GPMSIDNRSA-N 406.487 0.593 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4ncccc34)CCO2)C1 1781400920 RLNGEDYECIHMHA-FOIQADDNSA-N 414.466 0.974 30 20 HCED CC(C)(C)n1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nn1 1782013538 UBJMPUWPBGBMNO-FOIQADDNSA-N 417.466 0.249 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2C(=O)CSC2=S)C1 1783246021 OCJPSOVFCHIQLL-FZKQIMNGSA-N 411.549 0.937 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)CCc3cnc4[nH]ccc4c3)C2)C1 1783677202 HJYSGENGCQHLCW-OAQYLSRUSA-N 410.430 0.413 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1784533688 DAFUPAKFZLHTRD-GZIXRCOHSA-N 410.540 0.529 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cncn1)CCO2 1785378832 SIVODUIIPNVSIC-FQEVSTJZSA-N 410.434 0.059 30 20 HCED 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1.397 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 446532577 SJHNFENDZQOUES-UHFFFAOYSA-N 413.478 0.592 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462096857 GWGBVHFIKOYHOE-ZFWWWQNUSA-N 403.468 0.978 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)N(C)CCc1ccccn1 464960875 LALHPEJYLKNGNV-MRXNPFEDSA-N 422.493 0.664 30 20 HCED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465456983 GHNWMSWCLQKLSE-WBVHZDCISA-N 420.539 0.980 30 20 HCED C[C@H]1CN(CCN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 469008987 ROQDUSZGTMPENS-XHSDSOJGSA-N 408.524 0.793 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(C)(C)C(N)=O)CC1 470959139 MRGUMUIEEIHEIQ-UHFFFAOYSA-N 418.542 0.833 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCC(S(C)(=O)=O)CC3)CC2)c1C#N 472084897 CQKRNOJMDKZVTR-UHFFFAOYSA-N 408.528 0.788 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C3CCC3)CC2)c1C#N 472272611 DPUWODODLYBNTH-INIZCTEOSA-N 402.524 0.950 30 20 HCED COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cnn(C)c3C#N)CC2)cc1 476378661 WIVJUIYBUWKUJC-UHFFFAOYSA-N 403.464 0.837 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 479928729 SIIKFUNYPUXQDQ-BJLQDIEVSA-N 415.538 0.806 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480308899 ZQZIFWHCBPXVRN-HNNXBMFYSA-N 421.523 0.831 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487178017 FMRQKKBMGBGWLX-KRWDZBQOSA-N 419.507 0.240 30 20 HCED Cn1cc(CN2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)cn1 488259981 GRINJLIBTGFJBX-HXUWFJFHSA-N 421.505 0.920 30 20 HCED C[C@@H]1CCC[C@@H](CO)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501030250 VCMIEEIDVBJLTL-AEFFLSMTSA-N 420.535 0.626 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3)NC(=O)CNC4=O)C2=O)cc1 506868591 SIHFBSZDUZWPSZ-KRWDZBQOSA-N 417.425 0.771 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 507100959 IXYDYFKVMNNGNX-UHFFFAOYSA-N 404.452 0.102 30 20 HCED C=CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508826397 IOKZMDIPDYVMMU-UHFFFAOYSA-N 416.526 0.704 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cn1 510683426 KXWSKRPKOOYODQ-HNNXBMFYSA-N 407.434 0.548 30 20 HCED CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCCOC1 511636334 WCNUSOQKFYHWIB-RDJZCZTQSA-N 423.491 0.885 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCS(=O)(=O)C1 512871997 INHFHOBZSIHFQB-NSHDSACASA-N 405.411 0.467 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 521526594 XVVAHKIYWDEWRC-UHFFFAOYSA-N 413.474 0.905 30 20 HCED Cc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1S(=O)(=O)NCC#N 532566610 RSKUVFUZVVGATG-UHFFFAOYSA-N 402.480 0.493 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[S@]1=O 533288677 VOCLHUDNCMYTSN-MLNJSSBLSA-N 417.491 0.908 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCSC[C@H]3C#N)cc2)CC1 538233364 SSSNUOUUQYWLOZ-MRXNPFEDSA-N 422.532 0.621 30 20 HCED COC(=O)[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 538268130 BYTSGGBSPHXYAX-ZWKOTPCHSA-N 404.442 0.408 30 20 HCED N#CCc1ccc(OCc2cccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c2)cc1 539199408 WNLPUDMPNPKKNL-UHFFFAOYSA-N 423.429 0.971 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 540231268 FIBNDHTYXGWGMG-UHFFFAOYSA-N 403.487 0.117 30 20 HCED C[C@@H](CCN(C)C)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 557015797 PRDSVHKGQLQQMH-AWEZNQCLSA-N 414.466 0.911 30 20 HCED CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 560263677 YSTZPFOGKUUGJL-IBGZPJMESA-N 418.457 1.199 30 20 HCED COC(=O)c1c(F)ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1F 564477375 CCYOBKVRGODCFC-UHFFFAOYSA-N 420.376 0.958 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 570893727 WJRBBFFXGDDMAD-UHFFFAOYSA-N 418.460 0.848 30 20 HCED COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 571864516 DQURTTMHXSBRTD-UHFFFAOYSA-N 417.510 0.770 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)c1 588765526 RPEILUFDXPSNIP-KRWDZBQOSA-N 405.462 0.392 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)n3)CC2)c1 589273450 ZSBDEYKGPXHCNS-UHFFFAOYSA-N 420.472 0.948 30 20 HCED CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)c2ccccc2O1 609341891 CDIWKCURQRBFGC-GOSISDBHSA-N 413.478 0.411 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CN(C)CCO1 611610989 WQUNABFJLGUACM-BLLLJJGKSA-N 400.414 0.657 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn(C)c1=O 611640934 IHAJYXNBLXFYKD-UHFFFAOYSA-N 410.434 0.718 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)c1=O 613979350 DEIQCTCAAAPWJA-HOTGVXAUSA-N 406.483 0.255 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC 615253799 FRPIPBYBSHWERK-UHFFFAOYSA-N 402.451 0.939 30 20 HCED N#C[C@@]1(F)CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 615647849 ZZZPWVQKZCFPFE-SFHVURJKSA-N 410.471 0.261 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@](F)(CO)C2)CC1 619816179 MVCLFCLYBAJKHJ-LJQANCHMSA-N 403.414 0.861 30 20 HCED CC(C)CN1C[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1=O 681341392 YLHNZYNTBGWJEJ-QZTJIDSGSA-N 418.538 0.231 30 20 HCED C#CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 729121715 UUPIHSZEFAWFBB-UHFFFAOYSA-N 403.254 0.606 30 20 HCED CCc1nc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccccc1 735600341 ATUGKNFKLGRQOV-AWEZNQCLSA-N 401.448 0.409 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCOCCS(C)(=O)=O)ccc1F 741623084 HKQGCNDQPQUHRP-UHFFFAOYSA-N 408.473 0.081 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncn(CC(=O)N(C)C)n2)ccc1F 741971858 WJSOWCSLQPYVOK-UHFFFAOYSA-N 410.431 0.222 30 20 HCED CCc1nnc(S)n1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 743668857 RJUUMNDBDRUZIF-UHFFFAOYSA-N 422.536 0.764 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 747856915 OHZZANHGURBFIV-UHFFFAOYSA-N 411.550 0.975 30 20 HCED O=C([C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 748741839 CKRYNHYNLCPXKI-CQSZACIVSA-N 422.532 0.639 30 20 HCED CS(=O)(=O)Cc1ccccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749436383 MFJIBIBZRNXKSN-UHFFFAOYSA-N 421.500 0.586 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc3c(cc2C(=O)OC)OCO3)c1 753851538 CAWPCMKNABRUOT-UHFFFAOYSA-N 423.381 0.877 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758430899 ZFVDQWBAIFNCEV-STQMWFEESA-N 403.505 0.372 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc(F)cn3)CC2)cc1 759296967 GNEGTRBVEFCMNM-UHFFFAOYSA-N 403.439 0.490 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)cc1 761706373 MPEHHDXQCHAMKV-GOSISDBHSA-N 421.519 0.161 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)c1cccs1 767638712 VVXZQTPNVIBLTB-NSHDSACASA-N 421.456 0.786 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOC2(CCOCC2)C1 768589252 AHJWPPRHBCEGBO-AWEZNQCLSA-N 407.492 0.960 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cn(CC(=O)OC)nn2)cc1 770705067 JPPGEWJYCOGWTO-GFCCVEGCSA-N 406.420 0.281 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)[C@@H]1CCCO1 773799021 QAVXQIYGEJAJDB-YJBOKZPZSA-N 415.446 0.403 30 20 HCED CC(=O)N1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 775583635 NOGUKDNEDJACNZ-ZDUSSCGKSA-N 406.508 0.973 30 20 HCED COC(=O)N1CCC([C@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 776811723 CDSDMGBRCJINJA-AWEZNQCLSA-N 418.498 0.960 30 20 HCED C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 788346326 YDPJTUACEBUYLS-MKEDIBEFSA-N 408.480 0.420 30 20 HCED CN1CCN(c2ncc(C=NNc3ccccc3S(=O)(=O)N(C)C)cn2)CC1 793193191 JPXVHRYOBXOZBE-UHFFFAOYSA-N 403.512 0.925 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CC1 793194655 TYNKLIBRSSHRBR-CYBMUJFWSA-N 417.443 0.825 30 20 HCED C=CCN1CC[C@@H](OC(=O)CNS(=O)(=O)c2ccc(NC)c([N+](=O)[O-])c2)C1=O 798562417 KODIURDJRZNIET-CQSZACIVSA-N 412.424 0.245 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1Cl)n1cnc(C#N)n1 798746050 NXNDBZJTZIEILT-SECBINFHSA-N 401.774 0.522 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCc4cnn(C)c4C3)CC2)o1 798768302 RNGANWQBWOCDBM-CQSZACIVSA-N 412.450 0.585 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)CC1 799612910 GNJICHWOGYHUMU-QGZVFWFLSA-N 422.595 0.508 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)CC1 799766431 ZDYNSAYARKXUNX-UHFFFAOYSA-N 408.871 0.670 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 800617998 CDUPTPUSRZHCSY-UHFFFAOYSA-N 423.429 0.298 30 20 HCED C#C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1F 804421806 UIRQCPIECDXXHM-ZDUSSCGKSA-N 403.801 0.717 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 807346054 JBKHGVOEZAIABE-LSDHHAIUSA-N 407.492 0.861 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3c(O)nnc3O)cc2)cc1 808117775 ZQMVAUQDDULUPI-UHFFFAOYSA-N 413.415 0.842 30 20 HCED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2nnnn2-c2ccccc2)nc1 809173373 LZCJAPFLPBEIBA-UHFFFAOYSA-N 418.460 0.318 30 20 HCED C#CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 816673352 XDOROJSBRZKXQP-KBPBESRZSA-N 400.884 0.911 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 919151711 BQQHUUBPWGFEEV-LLVKDONJSA-N 415.443 0.576 30 20 HCED C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 919549314 NLAXNBSSOCDQQR-RISCZKNCSA-N 417.447 0.175 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCS(C)(=O)=O)cc1 921062037 AEWQLFVDSBNAHZ-NBVRZTHBSA-N 402.498 0.666 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCOCC2)CC1 1141869628 RJEZVDRMIQRYFH-INIZCTEOSA-N 420.535 0.938 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1291322678 YZMYDMGCRRWWGG-NJSLBKSFSA-N 413.438 0.194 30 20 HCED CC[S@@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297804921 VHMQBLWXZNITTQ-WVDZOPJMSA-N 402.528 0.624 30 20 HCED CCS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1314561339 VEXLZCVUEPJWAX-XJKSGUPXSA-N 400.480 0.901 30 20 HCED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1315199496 WKNKANCYEDOXLD-GHJWDPDVSA-N 400.480 0.755 30 20 HCED CC(=O)NCCc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1318556460 VMKQOVJFTBOTLA-ISLYRVAYSA-N 406.464 0.170 30 20 HCED CCOC(=O)CC1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1454064420 YPXIUPNABAHQJZ-CQSZACIVSA-N 423.491 0.844 30 20 HCED CN(C(=O)[C@@H]1CSCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CC1 1539509879 IINQNRPRMDCZEK-HNNXBMFYSA-N 408.505 0.359 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1540761001 TYUNUUAAPFSUOZ-SWLSCSKDSA-N 418.837 0.455 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnn(C)c1 1611308087 LJMGDEKNINBTNJ-ZFWWWQNUSA-N 422.515 0.131 30 20 HCED CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1746335045 NRVVIDFVBRPMES-UHFFFAOYSA-N 414.495 0.864 30 20 HCED C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1752408492 JGZUSJHOHZVTHD-KLHDSHLOSA-N 409.512 0.582 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1760691802 RWCVDEAKWWPOSE-ZDUSSCGKSA-N 405.484 0.271 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCS(C)(=O)=O 1764910216 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1780020813 ZQBCJGUKUALHRG-HXUWFJFHSA-N 410.434 0.078 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781090439 PWGGURLMZQWSDN-KNQAVFIVSA-N 422.570 0.435 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966297 CSCHPKGNFSRGSX-ZUOKHONESA-N 402.426 0.665 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=S)NCC)C2 1782190844 PXQIMQFULQVTHQ-OXQOHEQNSA-N 408.568 0.788 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)cn1 1782195152 UVBBCSJXCDPHSS-OAQYLSRUSA-N 419.445 0.925 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5cccnn5)CCO4)C3)c2c1 1782196806 KGRAIBMPAWUWJB-OAQYLSRUSA-N 417.429 0.982 30 20 HCED C=CCCC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H]3NC(=O)NC3=O)C[C@@H]21 1783539657 JZSWJMTXFSAINU-JONQDZQNSA-N 420.510 0.557 30 20 HCED Cc1oc2cc(O)ccc2c1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783561665 FBJVBVJIFVPUAQ-NRFANRHFSA-N 412.398 0.978 30 20 HCED 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0.927 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1C 546176628 GLSXSBZEUWCAHE-CYBMUJFWSA-N 418.479 0.763 30 20 HCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1sccc1C#N 550765602 CRTPWBHODMSAQF-INIZCTEOSA-N 413.503 0.964 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)CC1 553735774 YSKKKUAALUYQRS-UHFFFAOYSA-N 407.559 0.202 30 20 HCED CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 569044981 ZMWFAWYLPNEUHC-RDJZCZTQSA-N 403.464 0.699 30 20 HCED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 572556640 VFTBZHVHCQNILR-IIBYNOLFSA-N 412.446 0.581 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@H](OCCCC)C2(C)C)CC1 576383092 JITLYXJUJNSNHI-IRXDYDNUSA-N 408.543 0.533 30 20 HCED CC(C)(C)n1ncnc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577139376 URGSXTZAQPBZGD-INIZCTEOSA-N 423.477 0.438 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cc1C 583843079 XWNOJHHSEVYWFI-UHFFFAOYSA-N 424.339 1.285 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 588126713 PPVLLYAKXYBCIX-OAHLLOKOSA-N 403.870 0.666 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 588126882 ULQFYJUGSAUSAG-UHFFFAOYSA-N 412.494 0.903 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 588289582 CJANIOPFNTZPDK-JSGCOSHPSA-N 415.493 0.386 30 20 HCED CCC(CC)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589293686 GXADFPDZWPHDGO-UHFFFAOYSA-N 406.508 0.944 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)C2)nc1 590272759 OAXRRXSILYSFAU-GFCCVEGCSA-N 408.340 1.330 30 20 HCED CC[C@@H](C)NC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604096343 JKCGPYHKVSOTQI-OAHLLOKOSA-N 421.523 0.879 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCO)CC3)CC2)cc1 609049534 UPHKBYQLRWOHIY-UHFFFAOYSA-N 406.508 0.095 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 609157921 JZUFYOFRSIARED-MRXNPFEDSA-N 402.517 0.054 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1Cc1ccon1 619696488 ZLQQCXACWQRFGS-UHFFFAOYSA-N 414.418 0.343 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1=O 726041972 ANCGEKZWMJPKJD-GFCCVEGCSA-N 405.382 0.865 30 20 HCED O=C(NCCCN(C(=O)C1CCC1)C1CC1)NCCN/C(O)=C1/N=CC=CC1=O 732463236 LBTLIVJVXSQSGY-ZCXUNETKSA-N 403.483 0.993 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 732560094 KBIQTRHEOPBRMV-ZDUSSCGKSA-N 403.382 0.491 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cc1 732779669 YBYUDEANLOFXTJ-QGZVFWFLSA-N 404.536 0.496 30 20 HCED CC(=O)[C@@H]1CC(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)=NN1c1ccccc1 733700540 YGBNGUTYTBKBJX-RDJZCZTQSA-N 416.459 0.176 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1Cl 742143640 LDFGLKCVXHTNRJ-UHFFFAOYSA-N 402.863 0.687 30 20 HCED C#CCCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 743970390 GHYWZVIOBAUIDQ-UHFFFAOYSA-N 413.883 0.829 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccc(C#N)cc3)o2)cn1C 744913482 AOCKXUSWWSFVQB-UHFFFAOYSA-N 416.419 0.672 30 20 HCED C#CCNC(=O)CN1CCN([C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 745942494 KTODYWHEULHAKI-OAHLLOKOSA-N 404.492 0.007 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1 747573524 ZBKZDXDPTAIAIL-UHFFFAOYSA-N 410.434 0.483 30 20 HCED Cn1c(COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc(=O)n(C)c1=O 748410750 YBWCLTAWNTUJCR-UHFFFAOYSA-N 405.432 0.518 30 20 HCED CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)NC1=O 749382654 PUQYBBUUZAFRIM-AWEZNQCLSA-N 420.491 0.549 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CCOC)c1=O 753789701 WYLFWAMRDFLXBU-UHFFFAOYSA-N 423.498 0.914 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)s2)c1=O 758049683 IVLSEBVFQPSDJP-GFCCVEGCSA-N 417.512 0.267 30 20 HCED C[C@H](CO)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 759110015 UZCSQWMTKLZZMW-AEWZPABSSA-N 424.523 0.963 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)c1C 761968996 XAQCKOVSGPZASZ-QGZVFWFLSA-N 407.434 0.883 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)N(CC(F)(F)F)C3CC3)n(C)c2=O)c1 763446296 OEJWVPAKNNLRKY-UHFFFAOYSA-N 410.421 0.842 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 769642729 SNRSDCGTSCVRDB-UHFFFAOYSA-N 417.399 0.747 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCN2C(=O)c3ccccc3C2=O)c1 769820825 DYZBVRUYLBZHJI-UHFFFAOYSA-N 413.411 0.676 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCCO1 773802328 ZTGQMMYAYBAGSM-CABCVRRESA-N 409.439 0.502 30 20 HCED C[C@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783984586 NCRLVQQUXRLJSC-LJQANCHMSA-N 411.418 0.973 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)NC(=O)Cc3ccc(OCC#N)cc3)cc2C1=O 785967544 NHFALULHZQCMNH-UHFFFAOYSA-N 413.411 0.862 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(NC(C)=O)cc2)n1 786226631 CVWBWWDYVHFRRB-UHFFFAOYSA-N 411.462 0.766 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 788106705 WCSWFRSGEIEFNR-HNNXBMFYSA-N 423.543 0.573 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 789809088 KKNSLYIMELYIQW-HNNXBMFYSA-N 406.464 0.554 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccsc2Cl)c1=O 790428183 RJICFXMPYHZSIQ-NSHDSACASA-N 421.931 0.912 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C(C)C)c1=O 794644624 GSYCKZFLSNIHMN-OAHLLOKOSA-N 410.499 0.819 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)NC(=O)OC(C)(C)C 804041724 AGBDPMJZRYPOFY-AWEZNQCLSA-N 416.482 0.631 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 804558866 RMSPWSMLHLCETR-LIRRHRJNSA-N 418.475 0.191 30 20 HCED CC(=O)OCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 804940471 DVXRAXSFUOQQHE-UHFFFAOYSA-N 415.493 0.148 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)C(C)(C)C 808316025 OPTDNVVZAFMFJQ-OAGGEKHMSA-N 400.545 0.716 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1)[C@H]1CCCO1 809311561 VLVQRWIFMHXACC-RTBURBONSA-N 418.538 0.124 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](N3CCCCC3=O)C2)c1 810393071 LDCKPQKAEFPYKQ-INIZCTEOSA-N 404.492 0.840 30 20 HCED COC(=O)C1=NOC2(CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)C1 810997048 OBOQZJSSMALUOO-UHFFFAOYSA-N 420.447 0.147 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 814181034 UDLOBQDTOWLCGY-OAGGEKHMSA-N 411.499 0.836 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CCCN(O)C1=O 816754215 ZDRJMSPEQDQKFZ-ZIAGYGMSSA-N 401.510 0.583 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 918875709 KGYGWPRAKFWFMI-OAHLLOKOSA-N 423.491 0.872 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2cnc([N+](=O)[O-])n2)cc1OC 919665864 FWFPWFBHHORRTE-LBPRGKRZSA-N 402.367 0.271 30 20 HCED C=CCOc1ccc(/C=C\C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1OC 920251810 MZDNWSYJBVCKDF-VURMDHGXSA-N 423.535 0.967 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cnccc1=O 1003081350 FVMPORBALLUSRQ-SUFIHLRJSA-N 400.479 0.863 30 20 HCED N#CCSCC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1065689378 ZWXDBNYONFAMAU-PITCONLNSA-N 404.536 0.412 30 20 HCED C#CCOCCN(C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1116396640 JNKGNOWMMZODJW-KRWDZBQOSA-N 423.535 0.925 30 20 HCED CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2snc(C)c2C#N)CC1 1251209078 XKGBRMJRZOIMKP-GFCCVEGCSA-N 400.530 0.483 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1286969684 QSWBHNBIMSGNQG-KGLIPLIRSA-N 410.500 0.618 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCC3(C(N)=O)CCOCC3)CC2=O)cc1Cl 1290804814 XXGVFRNSZSXCKN-CYBMUJFWSA-N 404.854 0.963 30 20 HCED COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318158501 VIBUSMHNVCPLQT-GXTWGEPZSA-N 402.407 0.315 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1501190976 UDDVILBNGRGIPQ-MRXNPFEDSA-N 409.450 0.984 30 20 HCED COC[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)OC 1504586464 RGELCVLCHUWAMU-CVEARBPZSA-N 411.528 0.972 30 20 HCED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(C)(=O)=O 1541184588 AXDDTOBKUPMBKW-OAHLLOKOSA-N 409.560 0.592 30 20 HCED Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1561264303 RVZBFDYHRJJRDZ-HNNXBMFYSA-N 419.500 0.773 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1614975665 UEGGWKZMXUGGHF-MRXNPFEDSA-N 416.507 0.966 30 20 HCED C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(OCC#N)c1 1617233147 QMPRCOFUUYNOSQ-WBMJQRKESA-N 409.489 0.995 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1618449041 YEWNWVKRUQGYIL-HUUCEWRRSA-N 404.496 0.837 30 20 HCED C[C@@H](C#N)N(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CC1 1620108988 WDMSKFVQPANHEQ-HNNXBMFYSA-N 406.508 0.700 30 20 HCED COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 1661955470 OPRURFZRQKBBHX-UHFFFAOYSA-N 415.855 0.672 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(F)cc1 1692800758 LGFHFMFABWUSAG-CJNGLKHVSA-N 422.486 0.999 30 20 HCED 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GPVZDGRPVKPQIG-UHFFFAOYSA-N 405.402 0.853 30 20 HCED CNS(=O)(=O)CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 439174392 ZPFRWBGBNCQHBS-UHFFFAOYSA-N 408.440 0.187 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 442441901 NDAGMKRTIXWURV-LLVKDONJSA-N 413.463 0.793 30 20 HCED COCCN(CCOC)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 445564048 NFXBFELWGNHKQL-UHFFFAOYSA-N 405.842 1.457 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1cnn(CC)c1 460783079 WYJGCLCSLJFZFB-AWEZNQCLSA-N 411.532 0.680 30 20 HCED C[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 461663986 PMJWSQRPMWDUCW-QAPCUYQASA-N 406.508 0.358 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 465172055 AHRIVDVSUTWJGG-UHFFFAOYSA-N 404.423 0.983 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)c1C#N 472681407 DFEFGGMMEROXFZ-JYJNAYRXSA-N 412.494 0.813 30 20 HCED CN(CCNC(=O)CNC(=O)c1ccc(C#N)cc1)S(=O)(=O)c1cccs1 474491853 FTVMEJAGLVXDBM-UHFFFAOYSA-N 406.489 0.786 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccsc2)c1=O 479368227 QKCPGGGDHRDPAL-UHFFFAOYSA-N 411.512 0.819 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 479841733 RRRIHBPOHYAFLE-CQSZACIVSA-N 400.464 0.364 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)s2)c1=O 482564286 VOGMTSNOBASXQE-UHFFFAOYSA-N 402.501 0.519 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)NCC)ccc2C)CC1 491098925 DNOXNINSQWLGLU-UHFFFAOYSA-N 415.494 0.130 30 20 HCED COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)NCCn1cnc(C#N)n1 494367840 NCSXIHJKBVITNU-UHFFFAOYSA-N 408.440 0.400 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc1 498047602 PNYRJCWTWALPIP-UHFFFAOYSA-N 410.459 0.770 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 502293217 SBUYNXIBEKZSRC-GBESFXJTSA-N 400.479 0.533 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 502951793 QSPLYRXUYOUMOC-UXHICEINSA-N 412.534 0.960 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)nn1CCC#N 504890159 ZCBSHBHNSNKLLN-ZWKOTPCHSA-N 410.478 0.795 30 20 HCED CCN(CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)S(C)(=O)=O 515989250 NEWZVOSJKBCIOJ-UHFFFAOYSA-N 401.510 0.261 30 20 HCED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)c1 522647058 TWXMJNOJAPDUNT-UHFFFAOYSA-N 401.463 0.961 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 524281161 JLJOUAYVBFWBGZ-UHFFFAOYSA-N 414.443 0.422 30 20 HCED CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 532201508 YTYKATIWIAPVNB-HIFRSBDPSA-N 413.521 0.651 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 534830775 SZWLYZDXWZDONC-UHFFFAOYSA-N 417.429 0.821 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCNC3=O)C2)CC1 538349808 OHJFVEWCOIWQJA-IAGOWNOFSA-N 416.551 0.947 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 539213808 XLSYFUNRVQBPNE-RDBSUJKOSA-N 408.480 0.699 30 20 HCED C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551077344 PUYVXUONUJVRNJ-QFBILLFUSA-N 411.506 0.766 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 551188657 SQYQXUVITRWZKT-UHFFFAOYSA-N 408.418 0.105 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CCN1Cc1ccccc1 552339396 MVEYSOYXAROVHY-MOPGFXCFSA-N 400.479 0.535 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 552421841 OUYGLCLTDNFHPX-KRWDZBQOSA-N 419.507 0.346 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 554291031 GIJKMAFEEACBHK-UHFFFAOYSA-N 407.394 0.801 30 20 HCED CN(CC(=O)N1CCC[C@H](CS(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 555630183 JXLHGQXXORAMFN-HNNXBMFYSA-N 413.521 0.462 30 20 HCED CN(C[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 556771851 JWBQKZUCEZPYAT-WBVHZDCISA-N 404.492 0.794 30 20 HCED C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 558248517 PVZOSQPPKJHDLZ-UHFFFAOYSA-N 420.491 0.815 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC(=O)OC)C1 564059517 HAYHSZAMOCZZHT-OLZOCXBDSA-N 401.489 0.233 30 20 HCED COc1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccn1 574178172 AXFARBDXVGFUPR-KRWDZBQOSA-N 407.430 0.890 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)CN3CCCC3)CC2)c1C#N 577435892 PRGGWSXCLUWSFS-UHFFFAOYSA-N 415.542 0.487 30 20 HCED CCN(C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1)S(C)(=O)=O 578795799 XGOWYDIEDMTIRR-UHFFFAOYSA-N 400.526 0.473 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](CO)[C@@H](O)C2)CC1 579998299 VGMGDYUPOUNTCM-ZBFHGGJFSA-N 415.450 0.130 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 581510128 GJUSEBNFVWMCDL-QZTJIDSGSA-N 423.473 0.021 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)C(C)C 584520774 ZNLJTZLMFNPESV-SJORKVTESA-N 414.572 0.341 30 20 HCED CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)ccc21 590284848 PGSOBCPQGHSRNJ-UHFFFAOYSA-N 404.430 0.759 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CC(=O)N(C)C 604269950 KLMMWVKSBCWFCE-UHFFFAOYSA-N 412.515 0.336 30 20 HCED C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 604927944 JVCQREHMUUDZCR-INIZCTEOSA-N 401.511 0.916 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CC(N)=O 608474751 UTAAENJWYMWRTH-CYBMUJFWSA-N 413.499 0.660 30 20 HCED CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c1 609341441 XMLLBBQAACRFCM-UHFFFAOYSA-N 421.523 0.806 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CCO)C(C)(C)C1 614957349 HDFLKEUTKRMLAZ-UHFFFAOYSA-N 404.467 0.437 30 20 HCED CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 619567601 CTTYXGNJNOKDJF-IBGZPJMESA-N 413.522 0.999 30 20 HCED Cc1nn(C)c(C)c1OCC(=O)NCC#CCNC(=O)COc1c(C)nn(C)c1C 680340117 VZNCVGJVCOYYFS-UHFFFAOYSA-N 416.482 0.081 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3nccc(C(C)C)n3)CC2)C1=O 681007911 XDSYZGXZRSTBMT-UHFFFAOYSA-N 400.439 0.225 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cc1 682270535 XGXUREBAFAWBNG-SFHVURJKSA-N 413.522 0.826 30 20 HCED C=CCc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1OC 728698585 OOJSZXSMZPZYBT-IAGOWNOFSA-N 424.519 0.660 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 730281700 SQBFZOVKOMUNKZ-IRXDYDNUSA-N 406.527 0.964 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCC#N)CC2)c1 731238052 UUAQPNXXGIDNQU-UHFFFAOYSA-N 407.448 0.473 30 20 HCED O=C(CCNS(=O)(=O)c1ccccc1F)NCCN/C(O)=C1\N=CC=CC1=O 732153794 PCXABLKRORXNHZ-WUKNDPDISA-N 410.427 0.137 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)c1nc(-c3ccncc3)cs1)c(=O)n2C 734082054 WQIJLNWLLOMFGG-GFCCVEGCSA-N 421.442 0.829 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n[nH]1 737300238 VJCKRFUOXJTBPD-KQWNVCNZSA-N 418.479 0.786 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 740827093 CBZHUMRYKBNOIB-GFCCVEGCSA-N 411.505 0.622 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCNC(=O)c2cccc(Br)c2)cn1 746383817 BWNRCCLBUPFKMC-UHFFFAOYSA-N 419.239 0.654 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 748810162 RGEYAPAWYORCEL-UHFFFAOYSA-N 424.954 0.424 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@@H](C#N)C1 749521048 MERMMSPHSYYJRZ-AWEZNQCLSA-N 421.479 0.455 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 749601541 RXAISUUKHGURRL-UHFFFAOYSA-N 422.463 0.251 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](C#N)C1 749654417 HPPYWFPCFNESFB-AWEZNQCLSA-N 423.495 0.717 30 20 HCED C#CCNC(=O)[C@H](C)On1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc21 749780813 YQPLOKPPRPVUBI-KKUMJFAQSA-N 419.507 0.664 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2c(C)cc(C)cc2C)CC1 761030743 LOGHXFUYFUGUEJ-UHFFFAOYSA-N 406.552 0.356 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCC#N)CC2)cn1C 766744983 VSAOPEJTYCIFHP-UHFFFAOYSA-N 403.464 0.778 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)C3(C#N)CC(C)C3)C2=O)cc1 767423233 LSWXLARWEIRDDP-JLDPNGGESA-N 414.418 0.976 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 767540172 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CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCNC1=N)CC2 1823079044 JSFINNMZKAHVSB-VXGBXAGGSA-N 421.527 0.696 30 20 HCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n[nH]1 1830053978 ABBAHABGIZTGPA-LJQANCHMSA-N 403.439 0.232 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)N1C[C@H]2C[C@H]2C1 1830058384 XUAGYYYDFCGEOK-VWXURSGXSA-N 404.511 0.333 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1830510788 UUCZIYRNUDKMCW-GHTZIAJQSA-N 401.463 0.328 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cc3O)C2)C1 1831402590 LKBUKZJEDAIVKD-HTAPYJJXSA-N 416.474 0.809 30 20 HCED O=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)c1ccco1 1832658804 HYBQHJILFSUQLW-HSZRJFAPSA-N 422.437 0.970 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1833463718 VLCMGLHYYUPLIV-HNNXBMFYSA-N 402.499 0.039 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1833468000 HLWUBSKNCFFIFK-DLBZAZTESA-N 418.538 0.287 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)cnn1C 1834420490 KWTLWXRSXDVEJS-QFBILLFUSA-N 410.540 0.753 30 20 HCED CC(C)[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715641 VELBSKVADPQNJE-IBGZPJMESA-N 421.586 0.857 30 20 HCED CN(C)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1834943159 CCWGHMGBXGJYOI-FQEVSTJZSA-N 404.442 0.329 30 20 HCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1835993261 SKIMRYJJAQKJLZ-NRFANRHFSA-N 415.494 0.503 30 20 HCED C[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1836560024 SRVYUFXQYBQVJM-LLVKDONJSA-N 409.512 0.391 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@@H]3C[C@H]3C1)CCO2 1837288933 KNSZLVJSWSRFJC-MXBUBSDBSA-N 417.550 0.977 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1837395389 YYAVTNMROIMMIZ-OXJNMPFZSA-N 406.483 0.063 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1837403534 VFYYRHFWZLVSMI-VDNWNZSNSA-N 424.538 0.567 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)nn1C 1838832237 UWXQNNIKWHGAEJ-IBGZPJMESA-N 405.455 0.048 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949441 CJIHNTWKMFCGIV-VGSWGCGISA-N 411.458 0.667 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)cc1 1839364167 PUJKVKIIWBYMIV-SIKLNZKXSA-N 413.474 0.859 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(-c4ccccc4)ns3)C2)C1 1839807896 ORTCDOANSQFLBG-HXUWFJFHSA-N 412.471 0.908 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(F)cc(OC)c3)C2)C1 1839810589 GQBLWDOGZZAPSB-FNEOHHHZSA-N 402.422 0.937 30 20 HCED CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840804500 TWNYJUKABYWCNZ-YWZLYKJASA-N 424.498 0.660 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)[C@@H](O)N1CCOCC1)C2 1844253130 XBZDAMQOIPKERN-LJQANCHMSA-N 421.614 0.892 30 20 HCED CC(C)C(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 23327300 CPHVYNSOWIDPHE-UHFFFAOYSA-N 406.508 0.847 30 20 HCED C=CCn1nnnc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 52895467 UKEBJYOOVNIVLM-OLZOCXBDSA-N 401.514 0.146 30 20 HCED N#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 63516229 UADVUWZTKAZFJQ-UHFFFAOYSA-N 420.491 0.279 30 20 HCED Cn1c(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(C#N)c(=O)n(C)c1=O 301117062 OUGFFYPIMLXJNI-QGZVFWFLSA-N 423.521 0.389 30 20 HCED CN(CCCOc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)N1CCO[C@H](C#N)C1 409570623 PAEYFAHOKIIBJR-OAHLLOKOSA-N 417.509 0.260 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 427217971 SJWIZWHTOMZBEA-UHFFFAOYSA-N 402.451 0.415 30 20 HCED COCCNC(=O)CN1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 429732827 YXCMHNNVTANFQE-UHFFFAOYSA-N 424.505 0.984 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 441715406 IANDAIGTTZWGRG-SJORKVTESA-N 416.526 1.332 30 20 HCED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)c1C#N 441971038 BOZLVGHTQIRAIR-UHFFFAOYSA-N 415.537 0.928 30 20 HCED C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443352813 PTVQQFXKSHQYNM-LLVKDONJSA-N 400.357 0.920 30 20 HCED Cn1cccc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1=O 444496678 KKEVFFAQQHRHSN-UHFFFAOYSA-N 422.401 0.792 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)C1=O 466518294 YMYVJYGZBRKOQM-MRXNPFEDSA-N 404.492 0.826 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 472188158 DKUSHEZXRKFWDL-UHFFFAOYSA-N 409.493 0.959 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3cc([C@@H]4CCCO4)[nH][nH]3)[nH]2)c(F)c1 472959571 JTGVDMPSDJBWBD-HNNXBMFYSA-N 409.381 0.879 30 20 HCED N#C[C@]1(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCc2ccccc2C1 474661199 SZBDIGNOPGGFDA-UWVAXJGDSA-N 401.488 0.589 30 20 HCED Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N1CC(O)(CC#N)C1 479290484 XVMFRUIFZYSWOD-UHFFFAOYSA-N 413.521 0.819 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3Cl)c(=O)n2C)CC1 479385447 OVMNWVZXWLVSMF-UHFFFAOYSA-N 422.963 0.829 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)C1=O 479564672 QXBXTEASKRUWNG-UHFFFAOYSA-N 414.418 0.546 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 485531239 SLYHLZBAGRWWBE-XOKHGSTOSA-N 411.480 0.162 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1C 489223199 FISXAYYHELKUEX-UHFFFAOYSA-N 421.425 0.862 30 20 HCED COCCc1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n(C)n1 490515195 UXJMPJYLXIPMHY-SFHVURJKSA-N 410.478 0.784 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)CC1 491320303 FYNXMKMXFDOHAE-UHFFFAOYSA-N 408.524 0.998 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502376564 OMJQHIZDDLJLDK-RYRKJORJSA-N 400.545 0.556 30 20 HCED COCC[C@H](CCCC(=O)N1CCN(CC#N)CC1)C(=O)N1CCN(CC#N)CC1 503662029 FAAWZMISYKWYPF-IBGZPJMESA-N 418.542 0.145 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCc3ccccc3C2)cc1 507334505 PONSWIHLDXKCOO-UHFFFAOYSA-N 412.471 0.538 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)n1 510609010 XACPOMZFIUZEAI-CQSZACIVSA-N 418.255 0.795 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OCCC)cc2C)CC1 516604441 QHZPNBPRFUFYLY-UHFFFAOYSA-N 416.522 0.846 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C1CCN(C)CC1 518712553 GJPOIRDFKWCJNC-UHFFFAOYSA-N 409.515 0.377 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 524463823 VVMDMAIYLWPODO-SFHVURJKSA-N 407.559 0.601 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(N[C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cn1 524637803 VPCOWFPWRMSROG-KRWDZBQOSA-N 402.480 0.261 30 20 HCED COC(=O)Cn1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1C 527009571 DMLAHJXPQKFLHY-NSHDSACASA-N 405.436 0.542 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)n(CCC#N)n1 527328862 MVRSSWKFILXVJW-UHFFFAOYSA-N 420.424 0.980 30 20 HCED C[C@@H](C#N)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 531796082 AKZDKURGJZEZER-WCQYABFASA-N 400.482 0.433 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C)cn2)c1=O 532394358 PKVAIXVJOYZYFG-UHFFFAOYSA-N 412.515 0.775 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536966915 FUFDLKZRZBLIEC-ZDUSSCGKSA-N 415.498 0.260 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCCCO)CC2)c1 539379760 RFZYZONHASHVGE-UHFFFAOYSA-N 409.508 0.502 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)NC[C@H]2CCCO2)cc1 539688222 BTMJPVMPLFMBDY-OAHLLOKOSA-N 403.439 0.344 30 20 HCED N#CCCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 541386269 NHNFUNMGYBBDQU-UHFFFAOYSA-N 401.467 0.718 30 20 HCED CC(C)OC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 546740489 MLNFVNNPMULZRY-HNNXBMFYSA-N 415.425 1.474 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)n1 546907539 SUTZMRRRPJPTOF-UHFFFAOYSA-N 408.418 0.105 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)s2)c(=O)n1C1CC1 548976464 MARRUHWQYJAFIA-UHFFFAOYSA-N 411.512 0.956 30 20 HCED CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551848321 GBCXMNJHRNXWGL-MRXNPFEDSA-N 411.510 0.544 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 553907456 LFLINZOXIJYXGS-SFHVURJKSA-N 411.506 0.576 30 20 HCED COc1cccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 554301407 AOWNENPJVQCPIU-UHFFFAOYSA-N 416.459 0.391 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](C(CC)CC)N2CCOCC2)C1=O 559592278 KYVWWMQPBGNLEJ-ZWKOTPCHSA-N 408.543 0.485 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)N3CCC(C)CC3)CC2)c1C#N 560766727 XAHDUEZICAZHRE-MRXNPFEDSA-N 415.542 0.485 30 20 HCED Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)NCCn1cnc(C#N)n1 561294606 FYJNCYJXAUJKQQ-UHFFFAOYSA-N 414.447 0.960 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 573964732 RKAKXODZRIRTTE-UHFFFAOYSA-N 415.542 0.835 30 20 HCED Cn1cc(C[C@H](CO)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 576252585 UXNZLUHZNBAHFO-HNNXBMFYSA-N 405.480 0.193 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cc1 578308657 JZUQSTKYXCUDBH-CQSZACIVSA-N 407.492 0.824 30 20 HCED Cc1cc(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ncn1 588233388 FLTFHWLBEBQTKW-UHFFFAOYSA-N 421.417 0.870 30 20 HCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 604174756 OSVLVYFOYKZXGE-MAUKXSAKSA-N 407.492 0.771 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 610636014 VZFBGUMKKRJYLC-YCRPNKLZSA-N 423.477 0.987 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 611365274 YTUVVSLMXDMINE-UHFFFAOYSA-N 411.384 0.748 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)CC2)c1C#N 615955925 RUXMWPWGSIAUEW-UHFFFAOYSA-N 422.898 0.863 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CCc3cc(C#N)ccc31)C2 618853720 NUMHDEHKAFQUSI-INIZCTEOSA-N 409.450 0.217 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 619647442 PKWLLJOGXHOXJY-ZTFGCOKTSA-N 408.499 0.700 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)C1=O 726042105 BZJSKGDPTFVCBU-UHFFFAOYSA-N 404.766 0.368 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)ccc1OC 733276082 CLPSVDSVEUFYCG-CQSZACIVSA-N 421.479 0.927 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cncc(Br)c1 735082166 OJQXEMOPNTUMDT-OUKQBFOZSA-N 401.242 0.649 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 743901062 YFFIKHZRNMPZGH-UHFFFAOYSA-N 411.462 0.533 30 20 HCED O=S1(=O)CC[C@@H](S(=O)(=O)N2CCN(CC#Cc3ccc(F)cc3)CC2)C1 747674074 BSBSLAAQKXBPEK-QGZVFWFLSA-N 400.497 0.312 30 20 HCED N#C[C@H](C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1)C(=O)N1CCS(=O)(=O)CC1 751835803 HQKMGNZJHVQNBE-MRXNPFEDSA-N 417.418 0.556 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)cc1 754951677 YWJYOCOXPAWTDM-UHFFFAOYSA-N 415.471 0.501 30 20 HCED N#Cc1ccc([C@H](O)CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1 763478852 MMXBJQFMBOFNJQ-GOSISDBHSA-N 421.457 0.983 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)NC2CCCCC2)cc1 768884542 MYLXNWFLRAGFKN-UHFFFAOYSA-N 406.508 0.960 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CC(=O)O 769464183 IITRIXAEMZLDKV-AWEZNQCLSA-N 411.480 0.844 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 769842819 JCPPIIYACSLMGM-UHFFFAOYSA-N 418.387 0.927 30 20 HCED Cn1cnn(-c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)c1=O 770809716 PIGLBBNMAIUULO-UHFFFAOYSA-N 412.431 0.248 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)s1 771893340 ZURVSPKCUCGRRD-UHFFFAOYSA-N 421.298 0.611 30 20 HCED COC(=O)c1cc(Cl)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 781515926 BLYZBQOUFPDIDK-CCEZHUSRSA-N 420.809 0.708 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccn(CC(=O)OCC)c2=O)c1 783463827 HCZQNJKQKVKRDN-UHFFFAOYSA-N 424.413 0.086 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)[C@@H]1CCCO1 785641980 UQZKRMQDFPQYPR-ROUUACIJSA-N 421.519 0.428 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785660295 FRBQZBBLVCVSDR-INIZCTEOSA-N 400.435 0.221 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(c2nnc3n2CCCC3)CC1 787788424 XUPABBGWTRDLPI-UHFFFAOYSA-N 422.493 0.815 30 20 HCED COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2c(C#N)c(C)nn2C)CC1 788277295 YTXOSLVPDTWXGK-BOPFTXTBSA-N 418.523 0.702 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115715 USNFMTWJANAIDZ-AUUYWEPGSA-N 407.467 0.734 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3nccn3)cc2)n1 789788950 XJVNYVNCYYWPKK-UHFFFAOYSA-N 407.434 0.711 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 790297089 OVEOHZGKAJRBDT-IAGOWNOFSA-N 422.526 0.342 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C#N)s2)c1=O 794646393 XVWGANLXUHEBAK-CYBMUJFWSA-N 409.492 0.975 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2F)C1 798338916 JTJQURMMXYIPDZ-HZMBPMFUSA-N 412.443 0.962 30 20 HCED C#CC[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccccc1 800619792 VKTBZWJHWPNWLN-SFHVURJKSA-N 406.442 0.982 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(OCCO)CCOCC2)C1 800716562 ZOQJMFHKKKWRJY-CABCVRRESA-N 412.487 0.603 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CCn1ccnn1 802057940 BFHLASYBJSJADZ-UHFFFAOYSA-N 410.390 0.591 30 20 HCED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 802445183 JUIQNVQVGPIGBQ-MRXNPFEDSA-N 404.496 0.981 30 20 HCED CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2C1 807401841 WFFRUSNYJWOIDO-UHFFFAOYSA-N 415.450 0.674 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)nc1 807754570 NKBGTSSASFBQIK-UHFFFAOYSA-N 412.416 0.872 30 20 HCED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 808281100 XEXYGSJPBUECEO-UHFFFAOYSA-N 417.465 0.263 30 20 HCED CC[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)OC 810485204 XWOCHFLOTPNXKF-HDOZFUISSA-N 410.496 0.979 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)c1 813981365 MZNVPLNDSVTLRK-IPYPFGDCSA-N 409.493 0.484 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3c(nnn3-c3ccccc3)C2)c1=O 814222691 DYDZCWUDMOVPKE-UHFFFAOYSA-N 421.461 0.140 30 20 HCED CN(C)C(=O)OC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 818712932 VBCGJFSTHJPZOZ-UHFFFAOYSA-N 408.480 0.804 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/Cc3ccccc3S(N)(=O)=O)NC[C@H]2C1 849077383 FTGOQXASCBPZGF-AWEZNQCLSA-N 409.512 0.715 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 914610696 WXLLDVWITSJOCL-UHFFFAOYSA-N 412.471 0.591 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1F 914659104 GWZCVWDIEQECFI-ZDUSSCGKSA-N 400.428 0.742 30 20 HCED CN(C)C(=O)c1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 914766892 WTHFTXYFGJGGJZ-UHFFFAOYSA-N 400.460 0.743 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3C(=O)N(C)c4ccccc43)nc2)CC1 916332982 LCUYZRYLKDWBAT-UHFFFAOYSA-N 414.491 0.810 30 20 HCED C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N1CCC(C(N)=O)CC1 919549320 NOEWCUNIOPBCMY-GFCCVEGCSA-N 410.434 0.595 30 20 HCED CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1313556745 WYTDERBTLZFFAI-RDTXWAMCSA-N 408.528 0.789 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1315043278 OOMBUIIUWFXYRO-KRWDZBQOSA-N 411.466 0.294 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1325130074 MHDVHKFBEGTJIA-CZUORRHYSA-N 414.911 0.764 30 20 HCED N#CCN1CCC(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1341228359 VTHHWQICMYCHGG-KRWDZBQOSA-N 401.467 0.651 30 20 HCED CCOC(=O)CC1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 1454064416 YPXIUPNABAHQJZ-AWEZNQCLSA-N 423.491 0.844 30 20 HCED CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1616796926 QQJWWPUAYCXLNA-CJNGLKHVSA-N 400.480 0.538 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1624293947 RSNUUDHBXXMURI-UHFFFAOYSA-N 421.500 0.899 30 20 HCED COC[C@]1(CO)CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1627789464 SRSDHQMRDHPGKQ-OXQOHEQNSA-N 423.535 0.997 30 20 HCED Cn1cc(C#N)c(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)n1 1659579246 JOWGUXWEVYNDNU-UHFFFAOYSA-N 409.394 0.274 30 20 HCED N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 1665589910 UJOXZSLIYAJKHV-UHFFFAOYSA-N 410.471 0.903 30 20 HCED N#CCCN1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1665976815 PPNXIAPKJWQGLL-UHFFFAOYSA-N 421.523 0.448 30 20 HCED N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 1666613610 KKCQWAQPKNBQNJ-UHFFFAOYSA-N 423.520 0.893 30 20 HCED CS(=O)(=O)N1CC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 1682416973 PMOAWYYXVUQBPC-GOSISDBHSA-N 405.524 0.809 30 20 HCED C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)CC1 1690229065 MTIKNXDZCVLJBO-LLVKDONJSA-N 418.317 0.415 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1693400007 LPAILVNYZMCTSX-HUUCEWRRSA-N 419.511 0.308 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CC(=O)NC(C)C)CC2)c1C#N 1725869054 UIZFETMYOQMANP-UHFFFAOYSA-N 411.514 0.920 30 20 HCED CCN1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1728589066 RJIHQYJMRPPLDA-GVDBMIGSSA-N 422.555 0.783 30 20 HCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1728665360 SOTQQEYKTOZDCR-UHFFFAOYSA-N 411.510 0.846 30 20 HCED Cn1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n1 1729582509 SLOONZPIMGXAAN-SUMWQHHRSA-N 407.475 0.598 30 20 HCED C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740745410 UDZDXRSKRUNURM-NWDGAFQWSA-N 400.277 0.642 30 20 HCED C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749098093 OSPHSAJUBDADSJ-UHFFFAOYSA-N 422.291 0.399 30 20 HCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC(=O)N1C 1763077962 KFWUVOCEYGXZOW-YCRPNKLZSA-N 409.494 0.550 30 20 HCED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1768318723 PFTFLBBYLVVDBN-AREMUKBSSA-N 407.521 0.820 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778950082 GVFOIMGGZKDZHT-UZLBHIALSA-N 410.515 0.507 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1778954350 OJDSOYINMFNRGG-AEWXRJQFSA-N 419.482 0.236 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1778968213 QEZYBKOOPZDRCD-JXFKEZNVSA-N 404.467 0.629 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1778975088 KRNRFYOQLQBWNY-KKSFZXQISA-N 418.494 0.682 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779220898 LCYFQZXANZJUCO-BHPBEWJQSA-N 414.466 0.456 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccn(C)n4)CCO3)C2)c1 1780168546 IOIWWUJEGDLWSL-JOCHJYFZSA-N 423.473 0.987 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)N(C)CC)C1 1781451383 XSMYQCIGFFYYFU-XFGVGLGXSA-N 420.554 0.699 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccnc3)C[C@@H]21 1783528396 UCJQSHWSBKFAOV-UTIXKJGASA-N 415.494 0.282 30 20 HCED Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1783558222 QAYOVNOSPUBEJY-OAQYLSRUSA-N 402.422 0.985 30 20 HCED COc1c(Cl)ccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783566543 DQFYVUVNOASTOG-GOSISDBHSA-N 407.810 0.275 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)OC(=O)OCC)C[C@@H]21 1784483414 XOIPZZZGPLLRDO-QEOTZNIISA-N 410.467 0.566 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588697 LUMZLFWNXGHDRD-UGUYLWEFSA-N 420.466 0.132 30 20 HCED CN(C)CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145694 HJALGASKTOKIFS-BJLQDIEVSA-N 414.506 0.868 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccn3c(O)nnc13)C2 1792563773 BOCXJIGHGLDZRF-MQRSDUHLSA-N 424.461 0.545 30 20 HCED Cc1nn[nH]c1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cccc(C#N)c1 1792832350 BZXWWMWHSZOVDY-XEMDLRDOSA-N 408.462 0.821 30 20 HCED CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793375804 ALBANMDXEVTMTD-CSWGNPLSSA-N 424.498 0.020 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cscn1)C2 1793381003 NIQWKNYHDIBWSP-URLPEUOOSA-N 412.581 0.557 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(-c2cccnc2)c1 1794442969 ZGMRFZUXCCVHOA-PHXBYCTMSA-N 423.473 0.509 30 20 HCED CC#C[C@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc[nH]n1)c1ccc(O)cc1 1796032119 MVTBFAMOOSGOIB-PDOICOKGSA-N 423.473 0.911 30 20 HCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc[nH]c2[N+](=O)[O-])cc1 1796404776 HTXLETWOWOQVDR-MUJYYYPQSA-N 424.417 0.901 30 20 HCED COc1ccc2nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)C#CC(=O)O)C4)ccc2c1 1797003473 DBFMAGRFRRVKLZ-USGNIVHTSA-N 423.425 0.535 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1 1798863537 ZPAOPEXEWXYQFH-MNDZRTMASA-N 415.446 0.377 30 20 HCED C=CC[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1800491834 SGDMXIAVEFFBPI-BKEDOTJMSA-N 411.462 0.505 30 20 HCED C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)S 1800987309 FSJXYFHXYDJIBD-FJSLXNCJSA-N 423.510 0.852 30 20 HCED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCNC3=O)C2)C(F)(F)F 1801698769 TWMABERXEVGIID-ZSBIGDGJSA-N 411.384 0.997 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC2CC2)[C@@H]1c1cccnc1 1803452794 UEZNPGHMAYJQRS-DYXWJJEUSA-N 412.490 0.652 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)CN3CCCC3=O)CC2)C1 1804853681 LFGMPGCZMQDUQZ-SREVYHEPSA-N 416.522 0.698 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC2(CCN(C(=O)CNCP(=O)(O)O)CC2)C1 1806061025 VZPGABWHFHINAA-HNNXBMFYSA-N 421.500 0.897 30 20 HCED N#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806081550 SCIUKDMZMBMKLX-KXBFYZLASA-N 421.461 0.645 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCCO3)[C@@H]1c1cccnc1 1809867951 NKTFSIVHBNGETJ-YWZLYKJASA-N 423.429 0.468 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)COc3ccc(O)nn3)[C@@H]2c2cccnc2)CC1 1812351064 MNLNGMBYNDHBLK-KXBFYZLASA-N 422.445 0.966 30 20 HCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1813040524 PSBLYNTUCWSHAU-NORZTCDRSA-N 414.491 0.608 30 20 HCED C=CCC(=O)NC[C@H]1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)[C@H]1c1cccnc1 1813055888 AREKSBQRCZHLKE-DYVFJYSZSA-N 408.422 0.103 30 20 HCED O=C(C#CC1CC1)Nc1cc([C@H]2CCCCN2C(=O)[C@H](O)N2CCOCC2)[nH]n1 1815118372 DYWHGWGQXCRYIT-APWZRJJASA-N 401.467 0.466 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2c2cc(NC(=O)CN3C(=O)CNC3=O)n[nH]2)c1 1815598471 XVUQFJYDPPKHJJ-AWEZNQCLSA-N 424.421 0.467 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(OCF)cn2)n[nH]1 1816186137 YQEGHLYEOJRDCW-CYBMUJFWSA-N 416.369 0.899 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 1825127860 HLSCVJOKFSTZNR-INIZCTEOSA-N 417.422 0.499 30 20 HCED N=C(N)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1826830597 MTDYNFPFDRCSRU-LVYMYFABSA-N 422.530 0.618 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1831485108 NODDBHCXMGEHHM-YJBOKZPZSA-N 412.512 0.150 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831672705 IQYJWFBGHDYDKO-QZTJIDSGSA-N 405.495 0.999 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(C3CCCC3)C1)CCO2 1832359366 FDQIGCZHRPVSGV-VGSWGCGISA-N 419.522 0.810 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3cccn3)C2)C1 1832454370 KPHZTPUXKLIYTG-FXAWDEMLSA-N 422.551 0.895 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832940253 BYDXLXDZPRZMAK-LAUBAEHRSA-N 420.510 0.372 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)Cn4ccncc4=O)CC3)CC2)C1 1833051165 KSGZPBKRWIISDH-UHFFFAOYSA-N 413.522 0.781 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CN3CCOC3=O)CC2)CC1 1833146262 PDQKIFAUMJTSIZ-UHFFFAOYSA-N 405.499 0.560 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1833149528 OTGVRGNRPSSSMD-UHFFFAOYSA-N 400.483 0.505 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nccn2C)CCO3)c1 1834398879 DERVXUOZGCUQJL-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835798437 WKMLXVLTUDPPCM-IBGZPJMESA-N 406.508 0.989 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)o1 1836021344 FTYNHJWJJLUISR-FUHWJXTLSA-N 412.512 0.331 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3O)CCO2)C1 1837820373 UPUOUWUHKMYKMG-FOIQADDNSA-N 420.466 0.658 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1838333356 DOTQHFIMIWSWKK-LJQANCHMSA-N 407.492 0.309 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)c(N(C)C)c(F)c3)C2)C1 1839809398 NSVRGDRTEKULSI-HXUWFJFHSA-N 407.417 0.734 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840162244 QGVJWXOHAXBTMO-BDJLRTHQSA-N 400.888 0.518 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)o1 1840812900 RJXUHMRHLJIFSU-LJQANCHMSA-N 403.439 0.071 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1844235736 VKYOLVUVHZYLFY-INIZCTEOSA-N 421.519 0.875 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823749 LSQRTQYBHBQWBO-OAHLLOKOSA-N 408.480 0.914 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC12CN(C(=O)c1cccc(C#N)c1)C2 1846561195 ZVNXNLSGSVABCW-LJQANCHMSA-N 420.473 0.846 30 20 HCED NC(=O)CC[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1 1847473353 MXDGGXBAZGKKRR-ULQDDVLXSA-N 402.882 0.486 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCNC(=O)OC(C)(C)C 1847806633 JZNASGFEKQNDNW-IKGGRYGDSA-N 423.510 0.768 30 20 HCED C#CCNC(=O)COC(=O)CCNS(=O)(=O)c1cccc(Br)c1 7461345 HQOHCBUWSRHETA-UHFFFAOYSA-N 403.254 0.410 30 20 HCED Cc1occc1C(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 48186145 KHNNUCXCLOPKLQ-UHFFFAOYSA-N 416.459 0.723 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)C1=O 116294102 HDTACTPXVPHNCH-UHFFFAOYSA-N 405.363 0.406 30 20 HCED COc1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1-n1nnnc1C 438762295 VSTVZLBWYAMKRI-UHFFFAOYSA-N 414.470 0.612 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 441632319 FFOMAEHHBGQNCO-QGZVFWFLSA-N 407.430 0.216 30 20 HCED C[C@H](O)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](C)CO 443794220 YXSIYQKTPFJIMU-CABCVRRESA-N 409.508 0.549 30 20 HCED CSC1(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CCOCC1 460584529 IZRWOJSPJABPJK-UHFFFAOYSA-N 414.491 1.414 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1c2ccccc2C[C@@H]1O 460693966 XGGPGDVWEJIQKS-WMZOPIPTSA-N 402.414 1.160 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCOc1ncccc1F 460694784 YUVYBCBPQPXSQZ-UHFFFAOYSA-N 409.381 1.115 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1nc(O)c2ccccc2c1=O 465260825 BHEUEENVKRJEGW-CQSZACIVSA-N 419.445 0.891 30 20 HCED N#CCSCCCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 467188926 APYFXWZXFWLITB-UHFFFAOYSA-N 418.566 0.287 30 20 HCED C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 468713655 INJJZDZAZLBLGQ-UHFFFAOYSA-N 421.435 0.515 30 20 HCED C[C@H]1CN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 480455108 SQWRJBKMWZFYIK-XHSDSOJGSA-N 408.524 0.841 30 20 HCED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 480465633 CFLJEWISRJRLQB-UHFFFAOYSA-N 417.539 0.839 30 20 HCED CC(C)CN1C[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCN2C1=O 488726652 VPWYVQXAYIYARY-MOPGFXCFSA-N 404.559 0.757 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 495946608 HEUBGSALFZNTKQ-IRXDYDNUSA-N 410.430 0.872 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C 498371579 HODVFJWXLXIKMP-HNNXBMFYSA-N 402.499 0.249 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 499042978 HYQBVVWOITZAPR-UHFFFAOYSA-N 406.446 0.910 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)cc1 500526074 YCKGQWUGMMSVPM-UHFFFAOYSA-N 405.436 0.226 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)C1=O 501435145 HUTIONNDRIUORI-OAHLLOKOSA-N 409.464 0.283 30 20 HCED C=CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2ccnn2C)c1=O 502020592 WXOCXQQZGCTZJE-UHFFFAOYSA-N 421.482 0.980 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508645541 BDFFORSAVQROGL-MOPGFXCFSA-N 415.494 0.388 30 20 HCED N#CCNC(=O)CNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 511912015 XEVOYIVGRZWFGD-UHFFFAOYSA-N 417.857 0.857 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 518818731 PIWKHFQCHZZQRO-AWEZNQCLSA-N 420.470 0.494 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NC1(C#N)CCC1 525876469 JCYCYIZKOIZSCF-UHFFFAOYSA-N 408.480 0.690 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 531681725 CWVFZUXGCBOIFU-DZGCQCFKSA-N 411.505 0.427 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 542075747 WDJBQHCPGBUOPE-HZPDHXFCSA-N 409.450 0.603 30 20 HCED COC(=O)C1(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCOCC1 543837479 FWWBEKHQDQYCEU-UHFFFAOYSA-N 409.464 0.497 30 20 HCED CN(C)S(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 555922827 TZUBEIJMPDTGHA-UHFFFAOYSA-N 422.488 0.726 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC3)C2)CC1 557011530 JPKRXQPPJWWWKQ-AWEZNQCLSA-N 424.461 0.808 30 20 HCED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 567053424 AHRXVWJBAXOMGT-INIZCTEOSA-N 423.477 0.719 30 20 HCED COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 571944355 XQQGVZYTKCXHIN-KRWDZBQOSA-N 415.427 0.804 30 20 HCED CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 573888143 KMINVKUSEPIQRH-DOTOQJQBSA-N 424.509 0.882 30 20 HCED CN1CCC2(CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)C1=O 589419629 SEJQCGWWYGVXMW-UHFFFAOYSA-N 407.434 0.548 30 20 HCED CCCNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)c2ccccc2O1 589422310 PREGHZRIVCYQMX-MRXNPFEDSA-N 410.434 1.056 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(-c3ccccc3)n2)CC1 590285134 CSSBPSSKMCLYQF-UHFFFAOYSA-N 401.430 1.426 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)cc2OC)c1=O 603793342 NIRBKQIZLOCTFO-UHFFFAOYSA-N 411.483 0.895 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609108091 LZBQRNWKZPBZPH-DOTOQJQBSA-N 404.492 0.289 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]34CCC(=O)N3CCS4)CC2)cc1 609568775 RKBGJYAZHLRZTO-SFHVURJKSA-N 420.516 0.457 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN(CCCO)C2CC2)CC1 609846188 WYTMJLJZTNQZQQ-UHFFFAOYSA-N 406.508 0.238 30 20 HCED C[C@H]1CSCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610004251 HXDDVOXUVBIQKZ-HNNXBMFYSA-N 408.549 0.828 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cn2)c1 611248984 GJYNIFLDAQLPND-UHFFFAOYSA-N 409.402 0.347 30 20 HCED CN1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 619216678 YHWDETQVSZTNDK-UHFFFAOYSA-N 419.551 0.323 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCN(c2ccc(F)cc2)CC1 671193769 LNJWGCPWEAGDEW-UHFFFAOYSA-N 409.443 0.431 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 725755676 WIXHEPPFDXFECM-UHFFFAOYSA-N 418.479 0.429 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)C1=O 726043469 OBLIDSAZTOBVAJ-NEPJUHHUSA-N 405.382 0.911 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 730248483 VBQOECDLMRHYGY-ZDUSSCGKSA-N 408.455 0.727 30 20 HCED COc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc(OC)c1OCC(N)=O 734567430 RZCMMSJYQXTNGJ-QGZVFWFLSA-N 413.386 0.823 30 20 HCED C=C(Cl)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 736400314 OTOANYVFYWKXTM-UHFFFAOYSA-N 414.871 0.786 30 20 HCED C[C@@H](CC(=O)OCCNC(=O)c1ccncc1)/N=C1/NS(=O)(=O)c2ccccc21 744045714 MLELNQYYUBZHAE-ZDUSSCGKSA-N 416.459 0.872 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 747887594 FHMJVLVHCTXWJV-UHFFFAOYSA-N 419.441 0.315 30 20 HCED COC(=O)CC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 749506868 XZXVKMIJAWNKPJ-UHFFFAOYSA-N 409.464 0.344 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)COc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 750174099 NQHHAIQVMSMEIQ-KRWDZBQOSA-N 415.427 0.933 30 20 HCED C#CCOCCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCOC)c1N 756487166 GSUUGTLPOVDOKP-UHFFFAOYSA-N 400.435 0.751 30 20 HCED C#CC[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 757269015 IRPBLSXPSNIPSH-KRWDZBQOSA-N 409.446 0.561 30 20 HCED C[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(=O)(=O)C1CCOCC1 757599095 XDSZDEDSMYEGPR-IPYPFGDCSA-N 415.512 0.844 30 20 HCED Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 759355833 CRVYQLKGIJJTJH-GOSISDBHSA-N 412.471 0.733 30 20 HCED CC(C)N(CCCNC(=O)COC(=O)C#Cc1ccc2c(c1)OCO2)S(C)(=O)=O 761213233 CEMWHDSFOCUOTG-UHFFFAOYSA-N 424.475 0.486 30 20 HCED CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNC(=S)NCCCN1CCOCC1 761748646 IVJFGFDICFNWMG-UHFFFAOYSA-N 404.540 0.620 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)Nc3cc(CC#N)ccn3)cnc21 763913668 INBQKCNMTVNSJR-UHFFFAOYSA-N 402.212 0.992 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 766802878 BVWXGEYHHDOXGN-SFHVURJKSA-N 406.508 0.780 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)CCC#N)C1=O 771430181 ORDKMSBPUNFPCN-RBZFPXEDSA-N 416.434 0.766 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2csc(-c3cccs3)n2)c(=O)n(C)c1=O 771892907 WAZNYLWLWMAFGV-UHFFFAOYSA-N 411.490 0.581 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCC[C@H](S(C)(=O)=O)C1)c1cc[nH]n1 772655874 LGXYEQJZZXKORC-LBPRGKRZSA-N 400.457 0.119 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3ncccc3F)CC2)c1=O 773347580 DCPXEXKJURKXOY-UHFFFAOYSA-N 417.441 0.579 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCCO1 773786433 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CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1501145054 LJCRYUAERNSPDY-INIZCTEOSA-N 416.530 0.509 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC(O)(CC#N)C3)cc2)C[C@@H](C)O1 1653387570 OGETWAPLELBJTR-GASCZTMLSA-N 422.507 0.383 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCS(C)(=O)=O)CCOC1 1696092643 OTFAAPIBJJUUTA-WMLDXEAASA-N 413.500 0.094 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)CCOC1 1696097905 VCWZPQLZSRAGEF-DNVCBOLYSA-N 420.470 0.501 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)CCOC1 1765880301 QEGRXNBTUUXBRH-CEXWTWQISA-N 408.478 0.439 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778445726 PAIIUFILFSWJGU-FFCJBUTOSA-N 422.445 0.885 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778722645 XMQOBIAAPVZYGY-NYHFZMIOSA-N 413.474 0.965 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1 1779315663 LYPYGUDNWFAHHP-LQWHRVPQSA-N 407.511 0.736 30 20 HCED 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ZLEVEFMSIAQJNE-IPHXSNPTSA-N 403.479 0.707 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783527522 CJPSLOFBZQDWLA-MXKXFIQMSA-N 423.510 0.667 30 20 HCED COc1cc(Cl)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1 1783568372 WCGODVTULHQANH-LJQANCHMSA-N 406.822 0.880 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1784195453 MLPONYSIOWNNMN-JONQDZQNSA-N 424.498 0.155 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784393643 RLUBWTAPVRLMNJ-DYVFJYSZSA-N 410.500 0.528 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC(OCC)OCC)C[C@@H]21 1784480975 BISZAQQADLERSC-XSLAGTTESA-N 410.511 0.794 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CCC)C[C@@H]21 1784485536 POOHKTZWQBBNAB-ZBRFXRBCSA-N 407.511 0.309 30 20 HCED COc1ccc(Cl)c(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1784946237 DPUPVNNRVIJRLU-IBGZPJMESA-N 406.822 0.880 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1785418363 OMDSMEDOGJHALU-IBGZPJMESA-N 405.476 0.342 30 20 HCED CN(C)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1786721737 BQKSOWNAALSEDO-BJLQDIEVSA-N 414.506 0.868 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccn4cn3)[C@H]2C1 1788075168 AAYYETSCSBQQBN-DUPRYPCISA-N 410.474 0.966 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788660847 OYUKJDODSINUAC-YPTRSROESA-N 424.542 0.835 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)[nH]3)C[C@@H]21 1788678786 QTXYNMSXLPZAIZ-RYACJGIASA-N 401.423 0.421 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)C[C@@H]21)C(F)(F)F 1790885114 ORLYLYRBJVICLR-AVGNSLFASA-N 415.368 0.010 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(F)(F)F)c[nH]3)C[C@@H]21 1791075614 DTMWYHPCUZNXHB-JKOKRWQUSA-N 413.352 0.715 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCN3C)C2 1793343176 NUECWHMEUQLXOH-KBMWQNTOSA-N 411.502 0.920 30 20 HCED COc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1794726775 ABSBHTCIJJLAEH-SCAQPMJSSA-N 415.494 0.575 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@]1(F)Cl)C2 1795602364 LDYUWRFYVOCVCI-WIGWEZOPSA-N 400.882 0.782 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COC(=O)C(F)(F)F 1797652758 XVWRHZFIGDGLBO-LYIQGSDWSA-N 412.430 0.636 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)nn1CC)C2 1797708072 BNLVBPOWNNRVKV-MVJTYMMSSA-N 404.511 0.988 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1ccnc1)C2 1797811610 QDAUWSBSHCDCIP-QJFKPXNFSA-N 405.455 0.002 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](COC(C)=O)OC(C)=O 1798472776 BQJZKZYLZMZPMF-LKIBZCMFSA-N 410.467 0.711 30 20 HCED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)n1 1798690616 FQOFJXHDJBQIRD-YVWYUNDQSA-N 409.446 0.736 30 20 HCED N#Cc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc4ncccn4n2)C3)cc1 1798921515 PHVVNFFDEKYFKD-BJWYYQGGSA-N 417.429 0.513 30 20 HCED CC(=O)N[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)ON=C(C)C)C(C)(C)C 1799389410 KHXPEOYINYGOTL-LHKMKVQPSA-N 424.542 0.928 30 20 HCED CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1Cl)C2 1800534927 IKOUEPPXIYHZGZ-MKXCTONWSA-N 418.881 0.939 30 20 HCED CC(=O)NCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1800541922 GRPKJRIAEZOJQI-UPHUGPLXSA-N 414.462 0.053 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1O 1800568286 VESNPYHMUBOHNB-XEMDLRDOSA-N 414.506 0.806 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354412 DUWARPSGVFHLFH-JONQDZQNSA-N 416.434 0.433 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C=CCN2)[C@H]1c1cccnc1 1802479718 CKMHQXSHVHBMCL-VWZTXQRKSA-N 409.490 0.474 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)[C@@H]1c1cccnc1 1803036824 YIAQTBWRATUUCS-RYRKJORJSA-N 416.478 0.606 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1c1cccnc1 1803549560 BEHBEHMTPXJVRJ-OGWOLHLISA-N 409.446 0.523 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808452848 UYRKJQZGLHTCDK-UZLBHIALSA-N 413.430 0.685 30 20 HCED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2c2cccnc2)CC1 1809598178 GXDWXVUMFFRWPQ-UYAOXDASSA-N 412.538 0.885 30 20 HCED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1810290538 YKBIUTDXMVFSLD-SYCNRUECSA-N 414.510 0.695 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812872550 FDCFMVUCTIETDR-MDZRGWNJSA-N 400.435 0.090 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cnn3c2CCC3)[C@@H]1c1cccnc1 1812880083 MQYIMGGZZPNHHC-MGPUTAFESA-N 407.430 0.632 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)[C@H](O)Cc2ccccc2)[C@H]1c1cccnc1 1812880753 RTBWLWIMZCOULX-JQVVWYNYSA-N 421.453 0.779 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)[C@@H]1c1cccnc1 1812881671 ZAEOIOWXXHSYOM-MGPUTAFESA-N 407.430 0.632 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(C(=O)CC#N)[C@@H]1c1cccnc1 1813336635 RNRKSBPIAAEUFJ-ILZDJORESA-N 423.477 0.472 30 20 HCED CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972971 QBBCDCUPYZUVEG-LLVKDONJSA-N 406.512 0.473 30 20 HCED COC(=O)NCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819780652 GDLWXGYVIBMIPJ-ZICWZVMQSA-N 422.511 0.883 30 20 HCED CN[C@H](CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(C#N)c[nH]3)sc2C1)C(=O)O 1821600305 OVVBUTRTWSSBAK-ZWNOBZJWSA-N 416.463 0.631 30 20 HCED C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCCOCCOCCOC)[nH]n1 1821877677 FZDSVKLUVYRXBI-KRWDZBQOSA-N 422.482 0.731 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCSCC2)CC1 1823724422 PKSLHVGEZBCFRR-QGZVFWFLSA-N 407.536 0.743 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667827 XNOIVZOCNQMFPR-MNOVXSKESA-N 406.464 0.448 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H](C)S)sc2C1 1826023883 MXLRUTSGITZQQY-HHURGBBESA-N 402.498 0.438 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)nc1F)CCO2 1829524154 CWNBFKGNFREJCE-HXUWFJFHSA-N 405.401 0.843 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829885979 WTNGTVKWEXFQDI-UTKZUKDTSA-N 409.527 0.376 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830464806 TVCCSOSFTDZIJC-WIYYLYMNSA-N 420.893 0.919 30 20 HCED CCOC(CC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)OCC 1831225524 VKVDVDZGASQBFC-OAQYLSRUSA-N 408.495 0.645 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3CC)C2)C1 1831424545 LEWOVDBOYGLQAD-DYESRHJHSA-N 420.510 0.873 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831869286 CRJKGWJBTDSGRJ-QHCPKHFHSA-N 422.485 0.850 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1832454157 CZXCVLFXFBEUEC-LJQANCHMSA-N 424.523 0.418 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1832457481 QSHFPRQUHVCOLV-HNAYVOBHSA-N 411.524 0.053 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)Cn3cccn3)CCO2)C1 1833191465 LFWBPVQQMAHSNT-DBXWQHBBSA-N 420.510 0.567 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)OCC#C)CC2)CC1 1833465223 RLSXDQQMZNAFPD-ZWKOTPCHSA-N 403.523 0.635 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)C(=O)c3ccco3)CC2)CC1 1833757386 SROYBDAEACPNNX-UHFFFAOYSA-N 401.419 0.122 30 20 HCED Cn1ncnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1833842953 CXQBIPBCQYLXCF-HXUWFJFHSA-N 410.434 0.071 30 20 HCED CN[C@H](CC(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1)C(=O)O 1834741539 HPTCKARRRNNKFJ-QGZVFWFLSA-N 419.526 0.315 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3csc(N)n3)CC2)CC1 1834747347 OMGXXWCFSQNGBH-CQSZACIVSA-N 419.551 0.949 30 20 HCED CC(=O)Nc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)ccc1C 1834765541 QEWXCIGRWKWBKO-NRFANRHFSA-N 414.462 0.937 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4Cc5ccccc5O4)C3)C2)CC1 1835341827 JLMJFGPTYRBMKB-XMSQKQJNSA-N 411.458 0.750 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1835354954 LXDRXSCHWMHUNR-FQEVSTJZSA-N 404.442 0.913 30 20 HCED CC(C)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674007 CPPNDOQFOSLZMH-OAQYLSRUSA-N 423.558 0.113 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1835675622 ZTFSWRMCFBLCHX-XVAXZDLZSA-N 422.501 0.617 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)n[nH]1 1835677794 OHTQTCMHTJUWAQ-HXUWFJFHSA-N 418.498 0.070 30 20 HCED Cn1cc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1835985880 GAWSDSJCTGFXGS-OAQYLSRUSA-N 400.479 0.223 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5c(c4)CC(=O)N5)CCO3)C2)CC1 1836787395 SKMLFRIHMUPNME-QFIPXVFZSA-N 424.457 0.555 30 20 HCED C[C@H](C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1)N1CCN(C)CC1 1837635761 UBURJWNDERMCPD-QGZVFWFLSA-N 405.543 0.535 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@H](N)C(N)=O)C2)C1 1837663099 NZGGTJHXOFOAJE-KKSFZXQISA-N 424.542 0.028 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)C=C)CCO2 1837693578 WFPIDGOARWJJOM-VGSWGCGISA-N 419.522 0.902 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837811785 UEYOJIBGLWJUAU-QGZVFWFLSA-N 423.267 0.828 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3oc(C)nc3C)CCO2)C1 1838000723 XXDUKRKXILINRM-FOIQADDNSA-N 407.467 0.953 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838107744 FOBMSHINBYERIB-FQEVSTJZSA-N 412.402 0.636 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)nc1)CCO2 1838120906 MORSJPHLMITLLF-OAQYLSRUSA-N 411.462 0.913 30 20 HCED Cn1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)cn1 1838950549 NYRHCHKBWWZGDR-OAQYLSRUSA-N 409.446 0.676 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839516413 RBPRCMVJABKZQQ-HXUWFJFHSA-N 417.466 0.285 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839626187 SFIGFLIQOOYJGT-FQEVSTJZSA-N 415.425 0.352 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)CCO2 1839634084 BMICHQYROMDZKJ-RXVVDRJESA-N 411.462 0.123 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ccsc4[nH]3)C2)C1 1840044803 YKNPCHWQJPIGDX-LJQANCHMSA-N 417.443 0.387 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3C(N)=O)C2)C1 1840167154 ZYUDXRXNUAJKGE-NRFANRHFSA-N 414.462 0.054 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408085 FPQCLNDSULPIIE-PKOBYXMFSA-N 424.523 0.266 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840449164 FGFSDDYGWDUCCQ-HXUWFJFHSA-N 403.483 0.318 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840814439 JEZLDFDMXXCYQP-NRFANRHFSA-N 415.494 0.746 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OC)c3F)C2)C1 1840841449 AAOOTTAQXWUZPK-FQEVSTJZSA-N 405.426 0.713 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2)C(F)(F)F 1846014371 FUAGEVYDZKVVMQ-UHFFFAOYSA-N 418.397 0.774 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C 24972555 ZSLUNQHXGZSFQW-UHFFFAOYSA-N 411.480 0.835 30 20 HCED CN(CC(=O)Nc1cc(-n2cnnn2)ccc1F)S(=O)(=O)c1ccc(C#N)cc1 47180508 PLDNDXAHTSNVHS-UHFFFAOYSA-N 415.410 0.932 30 20 HCED N#Cc1ccc(CSCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 48147352 PUTGHIJNQIIHFP-UHFFFAOYSA-N 402.520 0.794 30 20 HCED NC(=O)CNC(=O)c1ccc(C/N=C(/N)N2CCN(c3ccc(F)cc3)CC2)cc1 303909775 YMOCMPVDUJAJHF-UHFFFAOYSA-N 412.469 0.678 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 409557551 UMGBBHOFIIKEKC-GFCCVEGCSA-N 422.479 0.607 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 410145186 KIOSZWSWRVPABX-WCQYABFASA-N 414.509 0.956 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 430391344 GJCKJNUKVYTIDF-KBPBESRZSA-N 407.496 0.813 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)CC2 433655383 GUWTVNOMPVYCEA-DLBZAZTESA-N 417.487 0.642 30 20 HCED CN(CC(=O)N1CCO[C@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 434297305 FEKAFIQCIMEHCH-KRWDZBQOSA-N 403.464 0.512 30 20 HCED N#Cc1ccc(OC[C@@H](O)CS(=O)(=O)Cc2nnnn2CC2CCOCC2)cc1 434635101 BBHYSOYBHVBNDI-MRXNPFEDSA-N 421.479 0.326 30 20 HCED C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H](C)O1 438778581 MNECHCJNVFXCBU-INMHGKMJSA-N 416.526 1.548 30 20 HCED CC#CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 440607388 APXJULCWJLIZCZ-AWEZNQCLSA-N 421.475 0.338 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3ccc(C#N)cc3)C2)cc1 441607461 GOZRJZLEDBDYSJ-UHFFFAOYSA-N 414.443 0.695 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)CN2CCOCC2)cc1 442010605 INFBTGMXNGCMCW-FQEVSTJZSA-N 419.482 0.132 30 20 HCED CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@H]1O 442405782 HOFGGKWBOSKYSV-IRXDYDNUSA-N 410.478 1.392 30 20 HCED CCN(CC)c1n[nH]c(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1C#N 444061797 DYPWTAZMKURHEE-UHFFFAOYSA-N 403.424 0.458 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 446534181 YKVFHOITDZKEIA-UHFFFAOYSA-N 407.858 0.452 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cn1 460612191 BQSZWVZTMPFFIZ-OAHLLOKOSA-N 417.433 0.653 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 468189444 YOSIQMSNFZDJQX-UHFFFAOYSA-N 418.479 0.168 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 471117840 XYYGPRFHROJYPR-UHFFFAOYSA-N 420.407 0.323 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 472102678 VLNLSSHABZCLDG-FXAWDEMLSA-N 409.490 0.632 30 20 HCED COC(=O)c1sccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472875551 HRXOFKFYEOWJEZ-UHFFFAOYSA-N 416.463 0.736 30 20 HCED Cn1nncc1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 480472447 PPMJCUDDNYOHBN-UHFFFAOYSA-N 404.431 0.505 30 20 HCED C=C(C)CN(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 480486290 BUKMKBKAMVIJES-UHFFFAOYSA-N 408.524 0.273 30 20 HCED C[C@H]1C[C@H](C(=O)N=c2ccn(CCC#N)[nH]2)[C@H](C(=O)N=c2ccn(CCC#N)[nH]2)C1 481776188 HCMHLZPAQCPUNN-PHZGNYQRSA-N 408.466 0.990 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c1 495496007 AJRHRMMVLCEKIP-GOSISDBHSA-N 420.535 0.530 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 501649671 XWUGHZLLPMOLJW-INIZCTEOSA-N 400.435 0.947 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 502109565 LMJYKIOQZMDWNQ-CYBMUJFWSA-N 410.473 0.958 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 504706115 DAXHRNJTJCRRTO-INIZCTEOSA-N 420.491 0.458 30 20 HCED Cc1cc(I)ccc1NC(=O)C(=O)NCC(=O)NCC#N 508996969 KMORBRDQENKBCH-UHFFFAOYSA-N 400.176 0.294 30 20 HCED CN(CC(=O)N1CCC[C@H](c2nc(O)n[nH]2)C1)S(=O)(=O)c1ccc(C#N)cc1 510285143 AZSPFKAAHFHWMP-ZDUSSCGKSA-N 404.452 0.409 30 20 HCED Cn1nc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc21 518832399 JTIZLWBBAMIGGQ-UHFFFAOYSA-N 417.473 0.847 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1OCC(=O)NC1CC1 519290012 JTYUWDKJNVUWDC-AWEZNQCLSA-N 402.407 0.042 30 20 HCED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccccn2)c1=O 523743455 ZOVLQRFKPJEYAW-UHFFFAOYSA-N 421.482 0.878 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 533036175 HQCRPWDVJIXIMJ-HNNXBMFYSA-N 416.507 0.944 30 20 HCED C=CCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 533387965 UKHSSUGVNDCSAP-GOSISDBHSA-N 405.520 0.870 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 534289299 RXJWSFFROFKEIO-UHFFFAOYSA-N 420.495 0.493 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)n1cnc(C#N)n1 537301962 QSXQRIWHZNDNRU-LBPRGKRZSA-N 419.423 0.152 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 538821511 NZWXCIGHAPAAKD-UHFFFAOYSA-N 419.511 0.195 30 20 HCED COCCCN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1c(O)nc(=O)n(CC(C)C)c1N 540603569 OMJQFXFGWGHALR-GFCCVEGCSA-N 418.458 0.281 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC)C2)nn1 545147351 ATAZCRWOIDIRHG-CYBMUJFWSA-N 412.406 0.747 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 550473216 KAEYJWOHBIVDQF-UHFFFAOYSA-N 419.441 0.063 30 20 HCED CN(C)Cc1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 551283972 DUGGWBDTIVPHTD-UHFFFAOYSA-N 406.490 0.980 30 20 HCED N#Cc1ncn(CCNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 557111262 KHSCMHANIRNKDI-UHFFFAOYSA-N 402.480 0.683 30 20 HCED CCN1CCN(c2cc(N3CCN(CC)C(=O)C3)c([N+](=O)[O-])cc2C#N)CC1=O 557630742 HNUBTKUEBALMFC-UHFFFAOYSA-N 400.439 0.803 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCc2cccc(C#N)c2)s1 559717155 YBSAJRYNIRQCLT-UHFFFAOYSA-N 406.489 0.639 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 574850176 JNRAEZGGOISVLC-UHFFFAOYSA-N 423.520 0.732 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCN3CCOCC3)C2=O)cc1 574882234 RULRZCRCSWFODM-SFHVURJKSA-N 413.478 0.008 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 578892804 IWZXOWWSWHRXGN-AWEZNQCLSA-N 416.503 0.097 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 583470108 VAVCOUWQKKIODG-MRXNPFEDSA-N 404.492 0.601 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCc3n[nH]cc3C2)CC1 585726205 HLMXRTWMURQBMT-CQSZACIVSA-N 409.450 0.469 30 20 HCED C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)NC3CCN(CC#N)CC3)c2)CCO1 586809436 KPMVWNCFMLHGOT-QGZVFWFLSA-N 413.522 0.628 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 586824797 UHULASOIEUUMBR-IBGZPJMESA-N 417.485 0.419 30 20 HCED CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NC1CCN(CC#N)CC1 588128856 OWPJMTSGHOJTKL-UHFFFAOYSA-N 407.465 0.959 30 20 HCED C[C@H](C#N)CN(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 609147802 IXOZWXZZIYJUAA-TZMCWYRMSA-N 414.509 0.775 30 20 HCED N#CCN1CCC(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 609336199 CLBLYNBQIZHSKI-UHFFFAOYSA-N 400.531 0.666 30 20 HCED N#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 609742439 PDWCMNUJFCOOSL-UHFFFAOYSA-N 410.456 0.160 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1=O 610679812 JESRYLMVVYHJDQ-ADLMAVQZSA-N 403.826 0.987 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O 673510324 QHCBRNBGHOQBMA-NVXWUHKLSA-N 416.453 0.683 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(C(N)=O)cc1 726576072 VWMBDULNCOAACR-UHFFFAOYSA-N 417.406 0.933 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 728531909 LAVUBOXZAXRAKR-LJQANCHMSA-N 400.498 0.931 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 728532980 PXGYFMCLDISPPJ-INIZCTEOSA-N 414.531 0.655 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 728572902 PNTZYHROESJDSN-UHFFFAOYSA-N 417.941 0.356 30 20 HCED N#C[C@@H](C(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)N1CCS(=O)(=O)CC1 732908055 HFSNNHSIDGYRIK-INIZCTEOSA-N 419.459 0.158 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H](C)CS(=O)(=O)CC)c1 733185275 XTXHHPWYFNVAJZ-CQSZACIVSA-N 400.522 0.883 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 742799033 SMQLQCZDUCTABT-MRXNPFEDSA-N 415.475 0.175 30 20 HCED O=C(NO)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 746269294 RUOVAUDBNMAIMD-UHFFFAOYSA-N 409.420 0.350 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnn(C)c3)CC2)ccc1F 746350008 JQJXWEVLEHXCCK-UHFFFAOYSA-N 407.471 0.986 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 747737276 RJZMDEPRUIRMHG-UHFFFAOYSA-N 422.463 0.251 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 747741144 AEJGKMQCPLQWMJ-UHFFFAOYSA-N 420.487 0.610 30 20 HCED CCc1c(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754349665 ADNGMDHUHPLSFV-INIZCTEOSA-N 421.413 0.450 30 20 HCED COCCn1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 755545535 IKRYKDUOQXUIKC-OLZOCXBDSA-N 406.443 0.343 30 20 HCED Cc1nn(C)c(OCC(F)(F)F)c1C=NNC(=S)NCCN1CCOCC1 756822891 CBZSASBZQUJQLW-UHFFFAOYSA-N 408.450 0.800 30 20 HCED C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 758072779 ZWFSPNTYTDJYME-UHFFFAOYSA-N 403.467 0.443 30 20 HCED COC(=O)c1cn(C2CN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)C2)nn1 758971554 SEFXCTSWRJAWFN-UHFFFAOYSA-N 409.406 0.215 30 20 HCED C[C@@H](CO)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 759109061 QLRZEBILPMWHDD-CHOFAJOMSA-N 424.523 0.963 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCn1cc([N+](=O)[O-])ccc1=O 761370942 QNZPRJVVJPNFQA-UHFFFAOYSA-N 406.376 0.150 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(CCc3nc4c(O)nc(=O)n(C)c4[nH]3)n2)c1 761790838 FAACKAYIUYVXKN-UHFFFAOYSA-N 419.401 0.560 30 20 HCED CNC(=O)[C@H](NC(=O)CON=C1C(=O)Nc2cc3c(cc21)OCCO3)c1ccccc1 762672039 VHXZVCPZNGALSA-GOSISDBHSA-N 424.413 0.734 30 20 HCED CCn1c(S)nnc1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 765469053 LNOFNLWFKHAWFP-LLVKDONJSA-N 408.509 0.484 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 766802875 BVWXGEYHHDOXGN-GOSISDBHSA-N 406.508 0.780 30 20 HCED COC(=O)Cn1cc([C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nn1 770711753 QMZLPCFXJSVUAR-RYUDHWBXSA-N 421.435 0.294 30 20 HCED Cc1ccc(-c2ncc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)s2)cc1 771898304 WOVKSJIRWKMSEF-UHFFFAOYSA-N 419.488 0.828 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@@H]1CCCO1 773792868 FWUIKAAPGAGYFA-SJORKVTESA-N 407.492 0.951 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)C1 774012658 JLSADHHSCFBBCH-DZGCQCFKSA-N 409.414 0.539 30 20 HCED CC(C)(CNN=Cc1c(N2CCOCC2)nc2ccccn2c1=O)S(C)(=O)=O 774485461 VBTNOMXNDDNGJT-UHFFFAOYSA-N 407.496 0.278 30 20 HCED CC[C@]1(O)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 778969066 YMPOSLKQYYKSJW-XSLGSPGOSA-N 422.507 0.811 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@](OC)(C(F)(F)F)C2)c1=O 780500555 WQAZOTPPJUAHCX-INIZCTEOSA-N 404.389 0.545 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 781965173 QBLHKVQRBYWOIH-UHFFFAOYSA-N 417.422 0.719 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1 782591181 JZCDZOUQKZSWIF-UHFFFAOYSA-N 402.388 0.842 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)nn1CCC#N 785265822 NQLSYRMQCFXUQA-GJZGRUSLSA-N 401.423 0.988 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C(=O)NO)cc2)cc1 788254103 KZHYONPOOKVXOY-UHFFFAOYSA-N 419.459 0.993 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 789119194 RUJMWANRWQFZPE-UHFFFAOYSA-N 408.415 0.494 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)CC(C)C)CC1)c1cc[nH]n1 789964186 KZEIWXJZWJBNRA-UHFFFAOYSA-N 407.471 0.847 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1=O 794667850 QJHLSXBPLSPTJY-BGYRXZFFSA-N 423.517 0.565 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)c2C1 802782024 LVVMYPYOXRSZKL-GFCCVEGCSA-N 419.438 0.711 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 803938647 XSIIYFPAVNYVPM-MRXNPFEDSA-N 406.464 0.383 30 20 HCED 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20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1832452023 PNYJISNYFWBTJC-QGZVFWFLSA-N 412.537 0.715 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1833429387 YFGFLUOYIAQDED-UHFFFAOYSA-N 411.506 0.228 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 1834016125 UCYMWVYYZPKYFV-OVRHDEQLSA-N 412.446 0.864 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 1834588743 YQTCVDQQDSTOAR-QZTJIDSGSA-N 420.554 0.410 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC4(CC3)OCCO4)C2)C1 1834767112 LZUDWWMNFTZVSG-LJQANCHMSA-N 407.467 0.290 30 20 HCED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1 1836288031 KXEIFCYTRUHDDU-INIZCTEOSA-N 411.506 0.878 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(N)=O)CCO2)C(F)(F)F 1836484191 PJLFXULFWQXJFL-BLLLJJGKSA-N 422.404 0.008 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1836815049 IWCOEBTZGFWJQC-SGTLLEGYSA-N 405.480 0.346 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCn3cncn3)CC2)CC1 1836859911 KXSKBWLMAIDEKW-QGZVFWFLSA-N 417.510 0.705 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1837393131 KYSLJXQTZMBKGC-UTKZUKDTSA-N 420.510 0.221 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837594756 FBPUPKRJAABTHH-DYESRHJHSA-N 424.542 0.538 30 20 HCED Cc1cn(CC(=O)N2CCC(OC3CCN(C(=O)CC#N)CC3)CC2)c(=O)nc1O 1837638080 RFUGXNDONCKTKX-UHFFFAOYSA-N 417.466 0.170 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352823 SXWYPUZMKZILHZ-FOIQADDNSA-N 404.467 0.767 30 20 HCED CC(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1838980977 FUQLBLXAAVQCGG-QFIPXVFZSA-N 414.458 0.968 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCC)C2)C1 1839175831 HUSDSXXZSACEKW-HXUWFJFHSA-N 412.483 0.379 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(F)c1Cl)CCO2 1839324642 ROPVMWVWYZGSGG-LJQANCHMSA-N 424.812 0.637 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839842034 JTUVODFKCMFTEA-HRAATJIYSA-N 418.494 0.948 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnn(C)c1)CCO2 1840463534 NXIUJKLEXJTAJV-IBGZPJMESA-N 408.524 0.338 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840484760 IBNSKALVIGMSDV-JOCHJYFZSA-N 415.490 0.858 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1841625245 VZZUNCUSPBGUCS-HNNXBMFYSA-N 403.570 0.570 30 20 HCED CC(C)(C)OC(=O)N1CCC(O)(C(=O)N2CC3(CCCN3C(=O)CC#N)C2)CC1 1842620691 XTIUMPJXJUOBBR-UHFFFAOYSA-N 406.483 0.865 30 20 HCED COc1nn(C)cc1C(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282184 KYWFJJLUPHHEMD-UHFFFAOYSA-N 400.479 0.944 30 20 HCED COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CC#N)C2 1845145850 LGYCRHOOKDHIRH-CQSZACIVSA-N 422.482 0.950 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](CC[S@@](C)=O)NC(=O)OC(C)(C)C)C2 1845958051 OVMXENULDCUUPQ-GMYLUUGSSA-N 411.524 0.485 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CC(N)=O)C2 1847069836 PDTUQYPKCMPRDH-GJZGRUSLSA-N 420.510 0.618 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)cc1 52508806 HFHUQCCDKBMXCS-UHFFFAOYSA-N 413.503 0.795 30 20 HCED CN([C@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 409488346 VRHJTFCTWLVATO-STQMWFEESA-N 417.285 0.376 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1cccc(C(=O)N2CCOCC2)c1 409505985 ZNEYFAJDUCCNPT-UHFFFAOYSA-N 410.496 0.355 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1=O 410119235 XIOLSZYXJWVBTH-INIZCTEOSA-N 424.523 0.937 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 428254443 COGWTRCSYAKDJW-UHFFFAOYSA-N 400.869 0.863 30 20 HCED CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 431288346 RPBGIOHEBNGXOG-SFHVURJKSA-N 413.478 0.083 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C[C@H](C(N)=O)O1 443274726 KBZFAOPGCUEZBK-PRHODGIISA-N 400.313 0.497 30 20 HCED COCCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 445175022 BKBILWHIGYKCOQ-AWEZNQCLSA-N 401.398 1.085 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)ccc1C#N 463830515 ZVQZREGEBTVMLU-UHFFFAOYSA-N 421.457 0.754 30 20 HCED CC(=O)N[C@@H](C)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 476272128 JUHSKMHDPAAOHR-KBPBESRZSA-N 406.508 0.988 30 20 HCED C=CCOC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OC 481792155 VOTITKWMXMCFFM-MRXNPFEDSA-N 411.480 0.343 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 481974757 DCQLQXQFKLCLAI-GFCCVEGCSA-N 416.528 0.907 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCN1CCN(C)CC1 482141169 JOJDKNPKIAPESD-MRXNPFEDSA-N 407.540 0.321 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)C1=O 482231251 YXQAIWXVLCNLJP-OAHLLOKOSA-N 412.446 0.632 30 20 HCED CN(C)C1CCN(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487427343 JBZYZEZOSMQFNT-HXUWFJFHSA-N 412.538 0.984 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489216585 KTDHNPLSHGXHQQ-KRWDZBQOSA-N 418.461 0.655 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C(=O)NCCOC)c2)C1=O 501443905 BXIUMBGFAAHQHW-MRXNPFEDSA-N 402.451 0.247 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)CC1 502089975 DDFMIEORKLMJHQ-UHFFFAOYSA-N 420.433 0.998 30 20 HCED CS(=O)(=O)Nc1cncc(C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c1 502593734 FEQFXRNGADZQMC-DJJJIMSYSA-N 411.443 0.939 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCCSC 505683469 JPTCLLRQCBLYBY-UHFFFAOYSA-N 419.576 0.734 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)cc1 506040668 DGDSUMXHMYBGKT-UHFFFAOYSA-N 416.419 0.471 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC(O)(CC#N)C2)o1 506382789 SKRYZKNYNGITLX-LBPRGKRZSA-N 411.436 0.096 30 20 HCED CCOC(=O)c1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1C 508135742 NJSVJFSNQKPJTQ-LLVKDONJSA-N 405.436 0.774 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)NC)C1 508864958 RQKVUCWUULHXLQ-AWEZNQCLSA-N 419.511 0.375 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 509771313 MSWXBFRJPUUDHK-CYBMUJFWSA-N 408.480 0.778 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 515549203 MFLKMXPNSUSRNQ-JZXOWHBKSA-N 415.560 0.012 30 20 HCED C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)(N(C)C)C1 519724378 RKZPMAFSSQYZMT-JLTOFOAXSA-N 403.531 0.881 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCN2CCS(=O)(=O)CC2)cc1 522133343 GJRKDTRPFVGNRH-UHFFFAOYSA-N 413.521 0.224 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CC(N)=O 531938485 RHPQEYWWOZVLST-SNVBAGLBSA-N 405.501 0.583 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 533251681 UHKOIVDYXSPBLG-RVKKMQEKSA-N 421.523 0.056 30 20 HCED CN(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cncn1C 538020747 JFJSWQYFPOWPPL-GOSISDBHSA-N 416.507 0.428 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)n1 546200489 NOOAEGXVVHRTQT-UHFFFAOYSA-N 407.356 0.999 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C 550413281 TXPACYOKAURRME-INIZCTEOSA-N 411.510 0.544 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nn1 551727632 QRXDDLOGFTVEKW-MRXNPFEDSA-N 422.445 1.386 30 20 HCED CN(C)CCN(CCOCCO)S(=O)(=O)c1cccc(Br)c1C#N 553493599 NRLWVBKVJJZTOA-UHFFFAOYSA-N 420.329 0.882 30 20 HCED CNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 553898257 HGMBKEBCMVIBRU-UHFFFAOYSA-N 423.314 0.091 30 20 HCED C[C@H]1CN(C(=O)c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cc2)C[C@H](C)O1 554290779 WNDZDVMCQQCMRR-GJZGRUSLSA-N 411.466 0.899 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 556007888 XQFSGAIXWHAHSO-UHFFFAOYSA-N 401.511 0.691 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 556270255 ZLYDJYIZQVGMLT-UHFFFAOYSA-N 405.474 0.430 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCOC[C@H]3CCCO3)C2=O)cc1 557116800 CZOWFPMYDCRSRF-MSOLQXFVSA-N 414.462 0.482 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)n2)c(Cl)c1 560253123 DJLVKYTWIBTCPT-OLZOCXBDSA-N 403.826 0.992 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567138758 WZXHNQOREQRRIG-RDJZCZTQSA-N 411.462 0.297 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 573963760 DAYJCYLYRCEWOG-FQEVSTJZSA-N 424.465 0.926 30 20 HCED CSc1nnc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 576432521 JQRURRUTEIMRAV-UHFFFAOYSA-N 403.493 0.492 30 20 HCED Cc1ccc(S(=O)(=O)NCCN(C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1 577539678 YSCNUPMFKKQVGL-UHFFFAOYSA-N 422.532 0.946 30 20 HCED CCOC1CC(CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)(N2CCOCC2)C1 579578429 ZNDDDYNVWMXSSU-UHFFFAOYSA-N 414.506 0.903 30 20 HCED C[C@H](CN1CCOCC1)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581409508 XBGJWRBBTWOJQQ-QAPCUYQASA-N 413.478 0.942 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 583039117 WARPQPXUUNASBE-HUUCEWRRSA-N 406.483 0.455 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(CO)cc3)CC2)cc1 603896595 MHDJWXADZNLKEN-UHFFFAOYSA-N 415.471 0.962 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 604140451 HFSLHNNKBNODRF-UHFFFAOYSA-N 417.447 0.740 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCO[C@H](C#N)C2)o1 609268144 BSTKZNYZQKXTOI-CHWSQXEVSA-N 411.436 0.360 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(C)c1S(=O)(=O)NC1CC1 610148926 BQECFZDNAFBBIP-CQSZACIVSA-N 406.464 0.434 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)cc1C#N 610937553 DTBIADYQUBIJLT-UHFFFAOYSA-N 408.480 0.778 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 611564695 AQMUZLIPWAQGCV-DOTOQJQBSA-N 419.507 0.777 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCO[C@H](C#N)C2)c(C)c1 611643290 LKBJXNCOIUAEKC-BBWFWOEESA-N 407.492 0.487 30 20 HCED CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)Oc2ccccc21 671998461 MBJNYTAMGRYZDU-MRXNPFEDSA-N 405.432 0.649 30 20 HCED 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SRRHGZCSCNPXBT-BQFCYCMXSA-N 423.535 0.705 30 20 HCED N#CCCC(=O)N1CC[C@H](CNC(=O)[C@H](O)N2CCOCC2)[C@@H]1c1cccnc1 1810348827 GMQOFLACHCSOSK-KPFFTGBYSA-N 401.467 0.042 30 20 HCED C[C@H](CC(N)=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972465 ISVWOFFTVBIOFR-VXGBXAGGSA-N 420.539 0.848 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898921 NPQYWUYQZIPTIT-RBBKRZOGSA-N 415.490 0.574 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnc1)CCO2 1830973065 RNGAAVZIWCTNKR-VQIMIIECSA-N 408.524 0.820 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831125386 PCJASYQLHCJSDD-FFCJBUTOSA-N 419.478 0.770 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831174684 GLCRTGSEVQZCPT-BEFAXECRSA-N 413.540 0.277 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1831392965 ITPXTGYZIOZZRG-QRWLVFNGSA-N 405.426 0.329 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3cccc3)C2)C1 1831402633 NHAMCQJKVFODLD-UGKGYDQZSA-N 417.506 0.763 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1833426456 XSUOAQZKPIFNPA-UHFFFAOYSA-N 416.566 0.694 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccco1)CCO2 1833924650 DBJAJWYNFTYJFN-TTYLXTBDSA-N 404.467 0.821 30 20 HCED C[Si](C)(C)c1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)co1 1834761325 XKEYXTNHIJOZNO-LJQANCHMSA-N 405.527 0.808 30 20 HCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)c3)CC2)CC1 1834987275 XOPHAXCQOFZLAM-UHFFFAOYSA-N 401.467 0.982 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)CC1CC1)CCO2 1835220018 DBKKDZNJJAIMBU-JOCHJYFZSA-N 404.507 0.942 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4Cc5ccccc5O4)C3)C2)CC1 1835341823 JLMJFGPTYRBMKB-GCJKJVERSA-N 411.458 0.750 30 20 HCED CC1=C(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)CCO1 1835674030 CZHWKDKZOOEIAQ-NRFANRHFSA-N 420.510 0.419 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835734774 JDDCMDQVXOIBJF-HRAATJIYSA-N 424.542 0.028 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836959196 FMNUNCZJWGWJRV-HXUWFJFHSA-N 415.425 0.847 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563346 WVZYOXQQUDBCNS-ZQUFOJLJSA-N 406.483 0.153 30 20 HCED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1837770423 KVQXDJZDBBPXHG-UHFFFAOYSA-N 422.507 0.543 30 20 HCED C[C@H](CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840044731 UJBXXZUZPGAPPI-VGSWGCGISA-N 414.458 0.725 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1840173300 OHXDIQOYJDGMHH-NRFANRHFSA-N 411.462 0.913 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCc4nc[nH]c4C3)CCO2)C1 1840359009 FVHQVNRONBUEJA-QVKFZJNVSA-N 415.494 0.521 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846217784 NMNHZGXJGDBABX-MJBXVCDLSA-N 413.540 0.878 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1=O 25521642 PFDRWRYFASZIAP-UHFFFAOYSA-N 401.379 0.399 30 20 HCED C[C@H]1CCCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 27949048 YEYCGROYRHTEGU-HNNXBMFYSA-N 412.537 0.841 30 20 HCED Cn1c(NCCCNC(=O)c2ccc(Br)cc2)c(C#N)c(=O)n(C)c1=O 301180139 MRHLENQJJSCKMB-UHFFFAOYSA-N 420.267 0.950 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 409510524 BUOCVEUHRWVWJB-KRWDZBQOSA-N 405.480 0.750 30 20 HCED C[C@@H](C(=O)N[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)C1CCCC1)n1cnc(C#N)n1 409990435 BZAACERCFHZHGK-VNHYZAJKSA-N 424.469 0.226 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)N=c3cc(C4CCOCC4)[nH][nH]3)[nH]2)c(F)c1 426461842 PQMGCAYIFUERRC-UHFFFAOYSA-N 423.408 0.921 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1cnn(CC(=O)NC2CCCC2)c1 435013941 UQYZNFLLXWHTHC-UHFFFAOYSA-N 402.499 0.630 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)CC(=C)C)[C@@H](c2cnn(C)c2)C1 435442934 NOMFXKOXAKCZSO-MRXNPFEDSA-N 402.542 0.891 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 439316196 CJLYYMCNVHOTAD-VLIAUNLRSA-N 402.499 0.774 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)C1=O 440250992 AJTHUGHYRMJZNH-INIZCTEOSA-N 402.451 0.385 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 441001168 CMZDIYSDJGTYDG-AWEZNQCLSA-N 414.384 0.667 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1 443260900 IWPPSRKFMBJAOB-LFYPYMNQSA-N 419.503 0.659 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 443483191 KUMDLQCRJRQQKE-IBGZPJMESA-N 420.491 0.601 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccn4)c3)CC2)c(F)c1 444512724 VYZKZSOIKGHGBZ-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CN(CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 444522215 DZKGYKKGGYKRKO-OAHLLOKOSA-N 410.927 0.979 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc([S@@](C)=O)c1 465417781 QINGEFWQJPCMET-CAMPQQCRSA-N 412.475 0.761 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@H]3COCCO3)ccc21 471065510 JPBJKRZVMQMQBM-INIZCTEOSA-N 400.435 0.740 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)s1 476999308 VPLDORHIQQBWPW-NSHDSACASA-N 405.501 0.315 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)COC)nnc12 477758623 GEOZKIKLZUBDLO-GFCCVEGCSA-N 403.464 0.446 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(Cc3ccon3)c2=O)nc1 489025778 ITASNSOUNFIGIB-AWEZNQCLSA-N 422.466 0.758 30 20 HCED CC(C)(C#N)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 489086126 WIGAVGZRZPZKAW-ZDUSSCGKSA-N 424.479 0.036 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1C 489175019 YNOMVJLUFMVCHB-UHFFFAOYSA-N 401.488 0.501 30 20 HCED CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 494426933 DAIFUDVFXIJCMW-OAQYLSRUSA-N 419.526 0.952 30 20 HCED CC(C)CN(C(=O)Cn1cnc(C#N)c1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 499516856 CHJQZELWYYERGX-UHFFFAOYSA-N 412.454 0.816 30 20 HCED Cc1ccc(C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1S(=O)(=O)NCC#N 499639955 ISHGTJSECTZIPR-OLZOCXBDSA-N 401.510 0.691 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(C)C 503413461 SRWPGSLTACBYGR-HXUWFJFHSA-N 421.586 0.871 30 20 HCED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(N2CCOCC2)n1Cc1ccccc1 506925404 IGSRGKJKAXMLRK-OAHLLOKOSA-N 419.507 0.627 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508679265 PQGGEDDBERITDP-KRWDZBQOSA-N 419.507 0.777 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508869212 ZMHYLQPOFIRRFE-ZDUSSCGKSA-N 424.552 0.926 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3cccc(O)c3)CC2)CC1 512461711 FPPNEMODSCNTBW-HXUWFJFHSA-N 413.522 0.842 30 20 HCED C=C(C)CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cnn(C(C)C)c1 512517583 YIJAVEJOSDGYQR-INIZCTEOSA-N 411.528 0.855 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)C1=O 512877287 ZCHCXYJIEVTBEH-JTQLQIEISA-N 416.398 0.035 30 20 HCED C[C@H](NC(=O)CN1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCCCC1 513665651 GPQREMRKDHVKHK-WCJKSRRJSA-N 409.490 0.849 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003701 SNKBNNZCSLZJOH-UGSOOPFHSA-N 405.480 0.369 30 20 HCED CCN(CCCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)S(C)(=O)=O 517499517 MWPZRTYFHBCSMY-UHFFFAOYSA-N 416.525 0.198 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)n1 538080767 XITFMYVQEMPLQY-MRXNPFEDSA-N 424.509 0.996 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(Br)cc1C(=O)OC 541780369 LMOGTTVZCVKVOH-UHFFFAOYSA-N 405.226 0.923 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cccc1C(N)=O 542068618 RXIJBEAGQMSEHT-UHFFFAOYSA-N 407.430 0.953 30 20 HCED COc1cc(C#N)ccc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 545297602 WGJNWSOANGZCQZ-UHFFFAOYSA-N 414.443 0.940 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)c2ccco2)CC1 550514125 PGIUNJKONXNLME-HXUWFJFHSA-N 410.474 0.932 30 20 HCED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)c1 551200571 WUJZXDPYMVMNON-UHFFFAOYSA-N 407.473 0.970 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1)n1cnc(C#N)n1 561082716 HAXJOXSCRDTLHK-GXTWGEPZSA-N 404.452 0.495 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 564135331 WCFRXECDUDKYIH-UHFFFAOYSA-N 412.475 0.970 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCCO1 576500155 PGJYFNATGZFXDV-HNNXBMFYSA-N 411.466 0.695 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)C1=O 576506556 UZFFBNJOBPBQEB-YDZRNGNQSA-N 415.490 0.973 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOC[C@@H]3CCCO3)CC2)cc1 603670233 YCXHKSZEDSULOA-KRWDZBQOSA-N 407.492 0.977 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 604161024 OLOHNUPJKICWIY-UHFFFAOYSA-N 415.494 0.976 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(=O)N(C)C 604270339 WGBCVCXJYLWZOM-UHFFFAOYSA-N 404.517 0.087 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 604321590 RNBDZSIZBVUUNG-UHFFFAOYSA-N 423.495 0.235 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)NC2CCN(CC#N)CC2)c1 609336351 GMBZSFCQUFJWGX-ZDUSSCGKSA-N 422.511 0.209 30 20 HCED CC(C)[C@H](C#N)N1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 609485468 QUOFEDHQUXCRFS-KRWDZBQOSA-N 403.512 0.732 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN1CCCN(C)CC1 610807356 DNXILPWPYNKOAV-MRXNPFEDSA-N 407.540 0.369 30 20 HCED N#Cc1ccc(OCC(=O)NC[C@@H](CO)NC(=O)COc2ccc(C#N)cc2)cc1 613630990 MPPYQJMOHSOFIM-KRWDZBQOSA-N 408.414 0.481 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 619077268 KVYOLLXCMJPVJZ-KRWDZBQOSA-N 416.526 0.576 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 728533978 CCZMJVOXZRPORT-FQEVSTJZSA-N 414.506 0.831 30 20 HCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C#N)cn2)C1=O 730891933 AAHWJUUTZYGDED-FQEVSTJZSA-N 407.386 0.999 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1 732779925 NYOIHHXFYARAKD-CQSZACIVSA-N 417.409 0.833 30 20 HCED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909469 AWKXXXDETNXFOW-DOMZBBRYSA-N 407.423 0.144 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741372165 IIOHFOSTRALEKU-LJQANCHMSA-N 410.471 0.663 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCCCS2(=O)=O)c1 753677315 BTAIAQYFWCJCLZ-GOSISDBHSA-N 404.488 0.827 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCO3)c1=O 758076627 JJKMPKOLEKBBSS-UHFFFAOYSA-N 407.451 0.397 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CN(Cc3ccccc3)C(C)(C)C2)c(=O)n(C)c1=O 761267855 WCSCHFSGLCOLLZ-UHFFFAOYSA-N 419.507 0.403 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)ccc1F 764429868 PAIRUHOQYUWUJI-ZDUSSCGKSA-N 404.485 0.939 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C 766050236 CZIUKLDGOQVUED-UHFFFAOYSA-N 402.388 0.991 30 20 HCED C[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccsc2S1 771898548 ZKFXAKBSIUDDKQ-QMMMGPOBSA-N 400.507 0.712 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CC1 772112890 BTDKMQOOBVQJLK-CQSZACIVSA-N 419.503 0.500 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1nc(CN2CCOCC2)cs1)c1cc[nH]n1 772126868 YMIGSZFFEVYGLP-UHFFFAOYSA-N 422.467 0.621 30 20 HCED COC(=O)Cn1cc(CCOC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)nn1 772681623 HERBKOIVLDDGAG-UHFFFAOYSA-N 411.422 0.701 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1)[C@@H]1CCCO1 773782987 DHXVQHMLOWVHNX-GJZGRUSLSA-N 408.432 0.112 30 20 HCED C#C[C@H](C)N1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 774298538 YQIYUDNZGVBGNK-AXSIEWBXSA-N 408.505 0.292 30 20 HCED C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)[C@@H]1CCCO1 775344626 ACISDCJKIJGHMZ-KKUMJFAQSA-N 424.475 0.906 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 780670509 LMIPESSHSCKTST-HNNXBMFYSA-N 415.450 0.512 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CCN2CCNC(=O)C2)C1=O 781101674 CIJPQIMTVXMURP-INIZCTEOSA-N 417.535 0.803 30 20 HCED CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782808899 KAOFMAFUWUNEQS-UHFFFAOYSA-N 409.855 0.887 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 783349758 BLWWUVBWNYQBMW-HNNXBMFYSA-N 409.464 0.460 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1 784623409 WCHJGYUEYDVINM-UHFFFAOYSA-N 411.418 0.331 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 784871042 UZZCNFDMHWVQEW-IYBDPMFKSA-N 417.487 0.518 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 788277743 GHCRGZVCBJTLPZ-OAHLLOKOSA-N 416.482 0.997 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2=O)cc1 792658598 MDYSVTMRIFKLGU-INIZCTEOSA-N 416.434 0.876 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 800139386 ZJNKWPUYFYJIRH-GASCZTMLSA-N 402.517 0.892 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 804180251 CYVSFLJSULZSPD-UHFFFAOYSA-N 416.482 0.585 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CSCCS3)CC2)c1C#N 806476499 OWWKLJVETHAWOP-CYBMUJFWSA-N 408.553 0.214 30 20 HCED 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0.562 30 20 HCED C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1=O 499537652 OPSSHXIWMBRMNZ-MRXNPFEDSA-N 420.491 0.111 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 500249229 SHLNVGUXYXSRNU-AWEZNQCLSA-N 417.495 0.188 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(C3CC3)n2CCC(N)=O)CC1 502884778 KGRKGVOWAQNJBF-HNNXBMFYSA-N 419.555 0.815 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cc(C(=O)NC)n(C)c1 509250934 XKRKEIDISGRNJM-UHFFFAOYSA-N 408.440 0.472 30 20 HCED C[C@H](CCN1CCOCC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 511097826 GFOVRPZXIZFMDR-QAPCUYQASA-N 413.478 0.990 30 20 HCED N#CCNC(=O)CNC(=O)N1CCN(Cc2ccc(Br)s2)CC1 511909285 IJONJWFOTBMUJZ-UHFFFAOYSA-N 400.302 0.978 30 20 HCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 515962627 IBYBEJLVNHAJMX-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C[C@H]1CN(C)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522097655 QLLWJOWAHZIVCV-INIZCTEOSA-N 405.524 0.027 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 537851890 QQWLXYLHLLCLHZ-UHFFFAOYSA-N 404.496 0.631 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)n1cnc(C#N)n1 539503000 FHQTZJIVFXZQSF-GFCCVEGCSA-N 419.423 0.152 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCn3cnc4ccccc43)CC2)n1 550828696 IUCORNBAANPOFP-UHFFFAOYSA-N 403.446 0.768 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCN(C4CCCC4)C3)C2=O)cc1 553357340 LIUDKJJSSSGATC-UYAOXDASSA-N 423.517 0.908 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 553741966 WQMFZBYAHGIESK-UHFFFAOYSA-N 410.521 0.011 30 20 HCED CCOCc1nc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)no1 555171555 LMFJYHMDMXHVKA-GFCCVEGCSA-N 407.452 0.976 30 20 HCED CCOc1cccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 556022296 LGNFSOJSJSXMDJ-UHFFFAOYSA-N 410.478 0.964 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n(CCC#N)n1 556681430 XUZWDJNIWUTVTD-GOSISDBHSA-N 410.478 0.579 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 557767881 CDKBAMADGNLANG-INIZCTEOSA-N 419.913 0.697 30 20 HCED N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)CC1 562336200 BKYBZRWFAZSGGX-UHFFFAOYSA-N 412.431 0.819 30 20 HCED Cc1onc(N)c1S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 569968476 GUKCMRPFQKRZGA-UHFFFAOYSA-N 401.452 1.116 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)C[C@@H](O)Cc1ccccc1 578628096 IDFWRURBEOSOJD-SFHVURJKSA-N 418.457 1.448 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ncnc4sccc34)CC2)CC1 588126756 RNCOJJUHQOAFTD-UHFFFAOYSA-N 413.507 0.444 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CC[C@@](O)(C(F)(F)F)C3)n2)cc1 590278966 KJDUMCUVXRMWDD-DYVFJYSZSA-N 422.367 1.099 30 20 HCED CN1CCC(C#N)(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 603886127 RIJGBZVLTGBZJY-MRXNPFEDSA-N 406.508 0.862 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 605431009 DVCPTLNLLNZCCS-INIZCTEOSA-N 401.511 0.541 30 20 HCED CN(C)CCN1C[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1=O 610421397 WNUCMTBNSUXZLQ-HKUYNNGSSA-N 401.486 0.945 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC[C@@](C)(C#N)C3)cn2)C[C@@H](C)O1 612269590 JXVYJEGWKSTGOP-MDOVXXIYSA-N 416.482 0.610 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC[C@@](C)(C#N)C2)cc1 612367243 CHXJFZJWWAKCRE-LJHODMEESA-N 407.492 0.971 30 20 HCED C=CC[C@@H]1N(C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CCCC1(C)C 671357347 GTKFBWGKCWNXAE-INIZCTEOSA-N 414.572 0.273 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1ccccc1 728087739 BLQLZIAZOHPPRE-UHFFFAOYSA-N 415.427 0.267 30 20 HCED CN1CCN(C)[C@H](CNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 732475108 URXBRPFIHGWZQL-USCXLKSCSA-N 422.555 0.867 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)N(CC(F)(F)F)C3CC3)n(C)c2=O)cn1 732795362 DBKYBKKCYGPHTJ-UHFFFAOYSA-N 411.409 0.237 30 20 HCED N#Cc1ccc([C@H](OC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)C(N)=O)cc1 734587285 ONTFGCOIXYINNR-SFHVURJKSA-N 415.427 0.637 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 741782992 PKZRYHNCVJTQTQ-MRXNPFEDSA-N 411.275 0.482 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(COC)cc2)c1=O 742143739 NAIRCMMNYNOELC-UHFFFAOYSA-N 415.515 0.730 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(Nc3ccc(S(N)(=O)=O)cc3C#N)CC2)cn1 742409700 OGMGJJLXEDFXDF-UHFFFAOYSA-N 424.508 0.204 30 20 HCED C[C@@H](CC(=O)OCC(=O)NCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 745495488 HAACMVCGRWRHSR-VIFPVBQESA-N 407.370 0.725 30 20 HCED C[C@@H](CC(=O)OCC(=O)NCc1ccco1)/N=C1/NS(=O)(=O)c2ccccc21 745495849 INRIICGBSIVFNI-LBPRGKRZSA-N 405.432 0.956 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)NC1(C#N)CCCCC1 745585374 DMWXSOQMZVHABJ-ZDUSSCGKSA-N 421.475 0.834 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(Cc3nc([C@H](C)OCC)no3)CC2)CC1 748822558 DXTUPPZTPLNQSS-KRWDZBQOSA-N 404.515 0.062 30 20 HCED C[C@@H](ON=CC(=O)Nc1ccc(F)cc1F)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 749789035 KCMKJYYISKXEKX-PWSUYJOCSA-N 403.407 0.940 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 769678331 AKZOPVZRBKHUEF-UHFFFAOYSA-N 408.461 0.272 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 770676217 NHSVNUXTEPEWMZ-INIZCTEOSA-N 405.480 0.294 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc2ccc(Cl)cc2n1C 771896414 AAUWKBJSNRMVQP-UHFFFAOYSA-N 424.870 0.327 30 20 HCED C=CCn1c(-c2cnccn2)nn(CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c1=S 776295097 ZUKHXURBDGBNOR-ZDUSSCGKSA-N 409.541 0.980 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC)CC1 777919878 MMCTWGTVGJMMIR-UHFFFAOYSA-N 413.521 0.135 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1-c1nnnn1C(C)C 784778517 VKBKSDVRARWCAH-UHFFFAOYSA-N 406.468 0.577 30 20 HCED C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787787939 RRFQCEJJYKMDRB-INIZCTEOSA-N 407.478 0.782 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)n1 789789195 RZFBHQJKKYKPTJ-UHFFFAOYSA-N 423.429 0.356 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)c1 791008837 RGFACFSVVILJEK-JJTVEENBSA-N 422.507 0.667 30 20 HCED CS(=O)(=O)c1nc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c2ccccn12 791189091 SKPLZDDYHYUBPW-UHFFFAOYSA-N 410.459 0.967 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(C)cn2)c1=O 794580319 AFTWJJPIYMTBLV-OAHLLOKOSA-N 413.499 0.758 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CCn2cnc(C#N)n2)C1=O 795174769 BFNJBKFCFOUEPN-CQSZACIVSA-N 413.463 0.926 30 20 HCED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CNC(=O)c3ccc(C#N)cc3)C2=O)c1 798253144 HLJAAXLLZYBJLY-NRFANRHFSA-N 421.413 0.795 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 800051132 GPJLRYQZEWBVJY-JTQLQIEISA-N 406.452 0.474 30 20 HCED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 802323660 LKNLMVOQMOVHQD-IWHJNQCMSA-N 420.491 0.776 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@H]1CCCO1 809306341 PMHJFAAKIKTNRV-SJLPKXTDSA-N 422.489 0.153 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)n1 809542945 IFHNCGXDPRHGTO-QRVBRYPASA-N 414.506 0.955 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 810781015 ZZFXWRLZTDKLST-OKILXGFUSA-N 414.505 0.567 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)n1cccn1 816038802 HNIAMKYHVJQLSP-BBRMVZONSA-N 412.406 0.836 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O 852862052 RFYFZRCGAAUCBE-GLJUWKHASA-N 418.471 0.549 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 918477841 LYACVFPSCMWIQH-GBPUDXIESA-N 421.523 0.648 30 20 HCED CCc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)cs1 920395554 WXXBWVLRMWQLTP-UHFFFAOYSA-N 404.517 0.357 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 1116175071 XMQRVVDLXLMHOW-QZQOTICOSA-N 412.446 0.943 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-c3cnn(C)c3)cc2)c1=O 1116874168 RYZZCPMZOIVKLL-UHFFFAOYSA-N 405.483 0.745 30 20 HCED N#C[C@H](C(=O)CCc1nnc(-c2ccccc2)o1)C(=O)N1CCS(=O)(=O)CC1 1122408902 RWFVYEXXPWMKJV-CQSZACIVSA-N 402.432 0.635 30 20 HCED CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1208288639 YGONTJXNZGNZNS-UHFFFAOYSA-N 415.313 0.763 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(N4CCOCC4)CCOCC3)C2)nc1 1251759221 KXHADLJZIMUYMT-GOSISDBHSA-N 415.494 0.997 30 20 HCED Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1290191787 LJRRJTJOJRPIHX-ZBFHGGJFSA-N 404.496 0.974 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)CC1=O 1309772345 MRJHZBZAWXZJOO-MRXNPFEDSA-N 412.487 0.296 30 20 HCED CS(=O)(=O)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316347220 KPZZHXIPSGVGGU-GDBMZVCRSA-N 408.528 0.393 30 20 HCED C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(F)(F)F 1317943245 NXEOBFFUBGOMMQ-SECBINFHSA-N 406.386 0.298 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)NS(=O)(=O)c2ccccc2C#N)C(=O)C1 1329396649 ILEDCURUCXXDIT-UHFFFAOYSA-N 422.463 0.442 30 20 HCED Cc1cc2c(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)n[nH]c2cc1C#N 1452827046 SEXSHEHIQJVZOM-CHWSQXEVSA-N 401.448 0.717 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(CCC#N)CC2)cc1 1471237448 UPCJLPSZSLFUPS-UHFFFAOYSA-N 407.496 0.323 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCS(=O)(=O)C1 1492912108 VTWDFZDNICWRRI-UKRRQHHQSA-N 416.511 0.398 30 20 HCED CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1510224464 SSLPWEVMDXKTNS-WOSRLPQWSA-N 400.505 0.024 30 20 HCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1517479088 YKBBXDFTLCRXQV-IBGZPJMESA-N 406.454 0.351 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC[C@H]2COc3ccccc3O2)c1=O 1559415840 KFCPFOKQBXYBHN-SFHVURJKSA-N 424.457 0.508 30 20 HCED N#CCc1ccccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1561264147 NZUAGBQZLFLAGH-OAHLLOKOSA-N 401.510 0.519 30 20 HCED CC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1613085306 LJZMOSNRANNCOG-KKSFZXQISA-N 424.509 0.983 30 20 HCED CS(=O)(=O)N1CCO[C@H](c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2CC2)C1 1620171352 ZBLWRWVLIVCWEN-WMLDXEAASA-N 412.491 0.853 30 20 HCED N#CCC1(CS(=O)(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)CC1 1660527063 UXEPCYCHMITYES-INIZCTEOSA-N 419.569 0.221 30 20 HCED C[C@H]1CN(CCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1708245779 LTWXPUAXCFPOJX-DLBZAZTESA-N 412.498 0.965 30 20 HCED Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1711283247 KHDZVXHTVNWLTI-MRXNPFEDSA-N 412.479 0.617 30 20 HCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1731057315 LSOXTTCCLIWYHI-STQMWFEESA-N 414.557 0.903 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1741852803 WOWUVDRKHGMMDS-XHSDSOJGSA-N 410.544 0.639 30 20 HCED CCCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1764578494 VMHFJMHATOYOHM-INIZCTEOSA-N 408.466 0.772 30 20 HCED CN1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1767513055 NIUSMBUUOYLVAI-AYOQOUSVSA-N 422.555 0.377 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CC)NC(N)=O)C1 1777984535 WHPPULGIGHHKRA-QCBUCWTNSA-N 410.515 0.538 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cccn1 1779020553 PYIXSGUZVPBPKT-QSPNRLKTSA-N 402.499 0.746 30 20 HCED 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430403542 OQBKKOXIASXQLA-YLJYHZDGSA-N 414.506 0.867 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)nn1CCC#N 437085752 PEASKNSFEHSPCN-CVEARBPZSA-N 400.483 1.341 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC1 437134336 VLPFHMALXJRAKK-MUUNZHRXSA-N 403.439 1.239 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc21 441631756 GCTQZQBRANMDQD-UHFFFAOYSA-N 420.429 0.596 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)C1=O 443227775 VSTYJRZZSBUEPS-CYBMUJFWSA-N 416.297 0.955 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 443697419 HQDWSPWDRPJITD-UHFFFAOYSA-N 408.480 0.682 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2ccc3c(c2)C(=O)NCC3)cn1 460656686 NZQNNJSFZJLRDK-UHFFFAOYSA-N 415.413 0.680 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 460688715 KRUYAEGDLYNAGZ-IBGZPJMESA-N 413.507 0.939 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C#N)cc1 464794293 MLKMBBHIGKUALM-MRXNPFEDSA-N 411.480 0.335 30 20 HCED CC(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)N(C)Cc1nnc2n1CCC2 470994869 GTDNOJLIPTWYBI-QUCCMNQESA-N 403.531 0.851 30 20 HCED C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CCN1c1nccn2cnnc12 474503409 ZETPHWQGPAMEFH-CQSZACIVSA-N 404.434 0.463 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc(OC)n2)c1=O 478760563 QDWLGOUYNONXOM-AWEZNQCLSA-N 411.483 0.998 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 482721503 GBQUBGRQLNROGG-UHFFFAOYSA-N 408.480 0.824 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1=O 485256095 SHVVVOGLUUPSJB-GOSISDBHSA-N 406.446 0.311 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486022069 YCPNBJNZUZHRKE-HRAATJIYSA-N 409.446 0.496 30 20 HCED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cn1 488767083 JXUTXEUQRFCPKX-UHFFFAOYSA-N 405.411 0.399 30 20 HCED CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 489807335 LVJPOLJVKHIPEZ-QGZVFWFLSA-N 422.555 0.843 30 20 HCED Cn1c(=O)c2ccc(C(=O)Nc3ccnn3-c3ccc(C#N)cc3)nc2n(C)c1=O 497946811 VAZFLUOIZYOESJ-UHFFFAOYSA-N 401.386 0.942 30 20 HCED Cc1ccc(S(=O)(=O)N(C)CC(=O)N(CCC#N)CCN2CCOCC2)cc1C 499336173 QATMNKOLTYUKJD-UHFFFAOYSA-N 422.551 0.998 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)n1 506762167 ORIHPMOEKANJRB-WCQYABFASA-N 410.500 0.282 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(=O)OC)C1 508474688 VXZPUEAXVXGWTN-OAHLLOKOSA-N 406.464 0.913 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCCc2cc(OC)ccc2OC)C1=O 521933555 ANVPPMANMZUGQI-KRWDZBQOSA-N 403.479 0.998 30 20 HCED COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(CC(N)=O)c1=O 524282009 LMDMXSHBYSUQRZ-UHFFFAOYSA-N 419.462 0.790 30 20 HCED CCCCN(C(=O)CN(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCS(=O)(=O)C1 534833074 BHFBJHYWWNOXNI-AWEZNQCLSA-N 410.544 0.544 30 20 HCED C=CCN1CC[C@@H](Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1=O 540809458 FQYHMEHQHQPVJI-MRXNPFEDSA-N 408.524 0.972 30 20 HCED CN(C)c1ncc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1C 553835348 QFMRGCKHBHZDJS-UHFFFAOYSA-N 409.494 0.318 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 555691341 YOPPGASYVZYOJM-HXUWFJFHSA-N 418.501 0.993 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ncn3)CC2)cc1[N+](=O)[O-] 555798382 XHIULHPBWHLMNQ-UHFFFAOYSA-N 404.408 0.776 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CCN1Cc1ccccc1 560732174 GMGJMOGZBNCEHO-IRXDYDNUSA-N 423.439 0.976 30 20 HCED COc1ccc([C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)N2CCOCC2)cc1 562771714 IQZBFDKIIUMCNK-IBGZPJMESA-N 400.479 0.947 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 564618177 YZSVQNLLMZTORQ-QGZVFWFLSA-N 405.524 0.075 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c(O)cc21 578689843 DHHFNBUGQCVRHW-UHFFFAOYSA-N 415.431 0.371 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Cc2ccc(OC)cc2)CC1 583076849 NVEQQZSOADVWHJ-KRWDZBQOSA-N 416.522 0.436 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cccc(C)c1 603788945 KPTXCGMKDAXIQB-UHFFFAOYSA-N 420.494 0.868 30 20 HCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 604170276 UDIGXBQXQMNPDB-NRFANRHFSA-N 414.506 0.965 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 609991750 XXHBCWGFIOURKW-UHFFFAOYSA-N 402.436 0.685 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)N3CCCCC3)CC2)n(CCC#N)n1 610951706 YFGNBAPTQURQDH-UHFFFAOYSA-N 401.471 0.794 30 20 HCED C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)C1 612270886 JATIGTAGBPZKTR-IBGZPJMESA-N 401.471 0.771 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@](F)(C#N)C2)c1 615608352 QPGBQGJUIRFHLF-SFHVURJKSA-N 410.471 0.911 30 20 HCED COC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)cc1 729389910 SDOSMOQOSZHLHQ-KRWDZBQOSA-N 417.443 0.764 30 20 HCED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)N1CCS(=O)(=O)CC1 732908450 LQWTVZUOMGPXNB-LLVKDONJSA-N 405.354 0.602 30 20 HCED Cc1sc2ncn(CC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c(=O)c2c1C 732911090 YBRBLXYWOUJHLK-GFCCVEGCSA-N 422.488 0.041 30 20 HCED C#CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 733162849 ZNSXGLCBGQCLBZ-MRXNPFEDSA-N 420.491 0.773 30 20 HCED CCC(=O)N1CCC(=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)CC1 734749970 HIVQFFXQZDOMKP-UHFFFAOYSA-N 408.528 0.818 30 20 HCED C[C@H](CC(=O)Nc1nc(CC(N)=O)cs1)/N=C1/NS(=O)(=O)c2ccccc21 742568579 SWKVIYCFQYQIOC-SECBINFHSA-N 407.477 0.627 30 20 HCED C[C@@H](CC(=O)N1CCN(c2nccn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 743470153 XKIGHXZFHGKWJG-AWEZNQCLSA-N 416.507 0.586 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)Nc1ccccc1C#N 745444422 ROSZFOKQFULKBK-WQNIFXPLSA-N 411.414 0.979 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cn1 746382723 XYMPYZHOAPOTGY-QGZVFWFLSA-N 400.414 0.674 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)n3ncc(C#N)c3N)CC2)o1 746889948 XYZCSSGHVHPSOS-UHFFFAOYSA-N 421.435 0.848 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NCCNc1ccc(C#N)cn1 749920063 BXMABWOGPYLATL-UHFFFAOYSA-N 417.437 0.359 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)[C@@H](C#N)C1 754378433 FJFWTKSHGROJMI-LBPRGKRZSA-N 412.468 0.914 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 756450647 CKDRICAFJSZVLD-UHFFFAOYSA-N 411.827 0.405 30 20 HCED CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 758294809 OEWYGRNAMOMGHN-DNVCBOLYSA-N 418.475 0.361 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758757600 GPKSMTBXAXBNAM-CHWSQXEVSA-N 403.505 0.374 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(=O)O)c2)c1 767175596 WMMOPWMMJGHCCX-UHFFFAOYSA-N 402.428 0.992 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2ccc(O)cc2)cc1 769657183 ODHRJUCKCZUROH-QGZVFWFLSA-N 402.428 0.948 30 20 HCED CC(C)(CO)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 778942681 KUFJTDJSDVUPGR-UHFFFAOYSA-N 408.524 0.420 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 783012368 FJKOWIQEZKUOIR-UHFFFAOYSA-N 424.523 0.562 30 20 HCED C#CCN(C(=O)C(=O)Nc1scc(C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 783480487 KADDQUIZFMCOJW-GFCCVEGCSA-N 412.489 0.821 30 20 HCED C#CCn1ccc(CN(CC)C(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)n1 790115488 RZKIUCONRIEIFG-UHFFFAOYSA-N 411.447 0.590 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)c1 790930758 DEGWLQRGTTXDLV-SXGZJXTBSA-N 404.467 0.783 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c(Br)o1 796142648 MUEYYEVIVJWIGF-UHFFFAOYSA-N 404.202 0.270 30 20 HCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1C#N 799555688 CCBJHXFBKKENRR-HZPDHXFCSA-N 406.508 0.979 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 802577504 IBADSBGZMKJSBY-ZDUSSCGKSA-N 400.505 0.743 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 805062500 FSNHQTFUOVEGTA-OAHLLOKOSA-N 407.515 0.996 30 20 HCED COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810348253 KGWJVUHYVRHDLK-INIZCTEOSA-N 406.402 0.936 30 20 HCED CC(=O)N1CCN(S(=O)(=O)NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 813947171 XLNDRBDPDBXBPJ-UHFFFAOYSA-N 416.463 0.191 30 20 HCED Cc1c(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)nnn1-c1ccn(C)n1 816039361 UOBBWXPBWNVLLB-AWEZNQCLSA-N 408.378 0.856 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 914424819 CWINGDSVMYAFJC-ZDUSSCGKSA-N 423.491 0.420 30 20 HCED CCc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 916912716 JCAXYDQHOATJIV-HYVNUMGLSA-N 417.487 0.932 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)NC1CCCC1 917045605 YHKUJPYVRDLXHH-HNNXBMFYSA-N 408.480 0.427 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 917133232 HXHHPWSLAGHVEI-UHFFFAOYSA-N 423.498 0.941 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 984136616 KWBKMRJSEYJZRW-SUJAAXHWSA-N 402.451 0.573 30 20 HCED CCN(CCC#N)C(=O)CN1CCO[C@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1108083384 COBBGEQJMIJDHU-DUXSEINCSA-N 404.511 0.379 30 20 HCED C=CCN(C(=O)C1CCC(NC(=O)COCCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1115923524 FMDIYKPDWYXSLE-OFLPRAFFSA-N 416.540 0.526 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 1128861580 PCHIYGRDUHUXGY-OAHLLOKOSA-N 401.398 0.551 30 20 HCED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1184837812 WLYIVGASPQBTKT-HNNXBMFYSA-N 401.485 0.499 30 20 HCED CC[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCc2ccccc2C1 1211270549 ZUFBXQAVBRXIRY-SFHVURJKSA-N 410.478 0.957 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)c(C#N)cn1CC 1219174356 LNEUMMKROAJNES-UHFFFAOYSA-N 416.482 0.984 30 20 HCED CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1=O 1296104444 APROXIWKRVKAFJ-QFIPXVFZSA-N 423.521 0.942 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1309577753 OQRRAXUEWUFVJJ-NSHDSACASA-N 408.477 0.262 30 20 HCED COCC[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1315966437 RPSXPVWSMVAHNQ-GUYCJALGSA-N 414.532 0.416 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1 1319447222 JEDUZBCNJLALIB-CSIMIJJJSA-N 405.499 0.580 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1 1325130437 RUOLXZGMTKKDSU-CCEZHUSRSA-N 402.373 0.820 30 20 HCED COCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cn1 1519188463 ZEQBNUSGYLJPCP-HNNXBMFYSA-N 402.459 0.036 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H](n1cncn1)C(F)(F)F 1565205329 XHBPTEHIGILRQT-AAEUAGOBSA-N 409.376 0.963 30 20 HCED Cn1nncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1618495808 UVQZTAHHVVWWSJ-SUMWQHHRSA-N 404.500 0.487 30 20 HCED CCOC(=O)c1c(NC(=O)NCCS(=O)(=O)CC)c(C#N)cn1CCOC 1623541421 OFIYPMLARUYFDU-UHFFFAOYSA-N 400.457 0.739 30 20 HCED Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cc(C#N)c(O)nc2=O)cc1C 1628006260 QIMRCZFNIDSKTA-OAHLLOKOSA-N 413.459 0.978 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(C(N)=O)CCOCC2)CC1 1654165790 TXQDNBTVIJUWMW-QGZVFWFLSA-N 403.458 0.159 30 20 HCED CN(CCS(=O)(=O)N1CC[C@](O)(CC#N)C1)S(=O)(=O)c1ccc(F)cc1 1669978309 RKWMQZCSGKOSEE-OAHLLOKOSA-N 405.473 0.126 30 20 HCED C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1691006501 MJRCITYEAFGZGQ-MRXNPFEDSA-N 422.493 0.971 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(N)=O)cc1 1698061889 XLJGYEMOHZEQMX-INIZCTEOSA-N 411.466 0.743 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1698307575 YHKQPAQNZHYOOA-OAHLLOKOSA-N 416.463 0.502 30 20 HCED COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1712198060 WBJIHAGPLXYOSJ-UONOGXRCSA-N 412.516 0.434 30 20 HCED CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728263881 RZJZZMCXUZMYEA-QGZVFWFLSA-N 424.509 0.854 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778594324 KBIIOBTVSDXLMK-KKSFZXQISA-N 413.478 0.746 30 20 HCED Cc1nc[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779101483 LIJOSABJGCNCEP-IUUPFMKJSA-N 405.455 0.691 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 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COc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1835066701 FBCMGRZIVIOVHD-JOCHJYFZSA-N 413.474 0.998 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ccc4O)C3)C2)CC1 1835345924 KOXCTSTZROHJGR-HXUWFJFHSA-N 401.419 0.472 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)[nH]3)CC2)CC1 1836860215 CLDVJNRLOSKXSO-CQSZACIVSA-N 404.467 0.766 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1837314295 MRRFPOMPQQSXCU-SQGPQFPESA-N 418.498 0.459 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)n[nH]c3C)CCO2)C1 1837807403 SVNZKKOODKWBKR-JXFKEZNVSA-N 421.498 0.897 30 20 HCED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1838095820 OTECLTKMHUMTGP-FQEVSTJZSA-N 410.434 0.369 30 20 HCED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1838211554 ULJDTIUUNUGDOQ-APWZRJJASA-N 408.524 0.809 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838374384 JVXAUYFJHALAEX-NRFANRHFSA-N 423.429 0.438 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1839225838 WFVQBLHMDJVWPF-CKEIUWERSA-N 403.426 0.899 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839895683 OEYZBFQKOSHTEV-HXUWFJFHSA-N 424.494 0.379 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840162203 OPVAPHZYIGRIMQ-UGSOOPFHSA-N 405.480 0.118 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1840291192 JREWEUFMORRLPX-OAQYLSRUSA-N 423.579 0.685 30 20 HCED CN(C)C(=O)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1 1840788267 DXVZBNBXJPUITM-OAQYLSRUSA-N 414.462 0.372 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840811726 UCPWATLBVFWWJH-OXQOHEQNSA-N 406.483 0.051 30 20 HCED C=CCSCC(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843836955 JUXHOARVJHJGLW-UHFFFAOYSA-N 415.581 0.781 30 20 HCED CN1CCN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCc2cccc(C#N)c2)CC1 1847468090 AIBSCBAJJXJGSZ-SFTDATJTSA-N 409.534 0.940 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CNC(=O)C1 1847942427 NUWGSMWCUIILBX-WCVJEAGWSA-N 420.510 0.794 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C 11190333 XBBYEAOETWRYHM-BLLLJJGKSA-N 400.457 0.556 30 20 HCED N/C(=N/CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCCN1CCOCC1 303985521 SXTZBMMBYGHOLQ-UHFFFAOYSA-N 423.583 0.714 30 20 HCED CCCCN/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305772477 TXQOKOPHUJLSHT-UHFFFAOYSA-N 406.530 0.495 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)CCNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 410140158 PNUHOIASDCMBIE-OAHLLOKOSA-N 415.537 0.817 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1 427481178 PIVWXTUIZLELTQ-JTQLQIEISA-N 400.361 0.801 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Cn2cncn2)CC1 427975890 UYRHNMLAMWZTKQ-CQSZACIVSA-N 402.480 0.755 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 431711592 YKSCOVYZXURIDH-INIZCTEOSA-N 415.494 0.491 30 20 HCED CC1(C)CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)[C@@H]1C#N 434024648 IXLXKYFBJHKBHQ-MRXNPFEDSA-N 404.492 0.961 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)nn1CCC#N 438778574 XQSIZSXKULUALG-IXDOHACOSA-N 402.499 1.144 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](CS(N)(=O)=O)C3)n2)c(F)c1 441783003 BWMSVXVSTPQBJG-ZDUSSCGKSA-N 406.443 1.415 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 442258736 ARXLTAACPDISIF-UHFFFAOYSA-N 400.479 0.864 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 446519467 AKPYZAFEGRWZAC-KRWDZBQOSA-N 413.478 0.303 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 446531185 KWZCWPJWRLBMOC-UHFFFAOYSA-N 413.478 0.826 30 20 HCED N#C[C@@H]1N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC[C@@]12CCCCO2 447908550 BRZHFPDQVPZYTO-ICSRJNTNSA-N 420.535 0.920 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@H]1O 460693965 XGGPGDVWEJIQKS-SJLPKXTDSA-N 402.414 1.160 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 462090102 TWGIPBTYSMEVDT-UHFFFAOYSA-N 422.453 0.657 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(c4nccn(C)c4=O)CC3)C2)n1 471424666 OXPVKRCVRKBBJD-SFHVURJKSA-N 421.505 0.921 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1C#N 471707556 VZMFASQQKQMEOB-UHFFFAOYSA-N 405.462 0.967 30 20 HCED COCCNC(=O)CNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 479076789 DZUOEECANXKYNZ-UHFFFAOYSA-N 411.418 0.871 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1CC(C)C 480938183 XWUTZYJNMFGXSD-UHFFFAOYSA-N 419.503 0.571 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cscn2)c1=O 484515738 ONBYNLXNAPKNQR-UHFFFAOYSA-N 406.558 0.855 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](OC)[C@@H](OC)C2)cc1 488633283 SSWQOSPYKZXVOB-HOTGVXAUSA-N 411.480 0.304 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1I 508373656 ZUMHBHDDWFCDBG-UHFFFAOYSA-N 424.202 0.818 30 20 HCED C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508955175 DHLDWTPRMTXOMW-CJNGLKHVSA-N 410.434 0.124 30 20 HCED CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 522161592 KZWQOMGDFJSLPW-CZUORRHYSA-N 424.548 0.995 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2-n2ncc3c(O)ncnc32)C1=O 522242782 ISNQPSNBONDDDQ-UHFFFAOYSA-N 421.373 0.436 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cc(Cl)c3c(c2)OCCO3)C1=O 523312109 MERAIUVQNSLISZ-UHFFFAOYSA-N 407.810 0.747 30 20 HCED Cc1c(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1C 533899301 IYFFHVBVOHQDJQ-UHFFFAOYSA-N 402.480 0.816 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 536341878 BYNNITXRLCGGPB-OAHLLOKOSA-N 422.555 0.686 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)n(C)n1 540266862 GIRWOKSTTKNGIS-ZDUSSCGKSA-N 412.454 0.412 30 20 HCED C=CCN(C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 541091576 AAZAUQNBUZXMOX-CYBMUJFWSA-N 411.436 0.535 30 20 HCED COC(=O)c1cn([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)nn1 546932451 HCEWAMLVWPFFAE-RDJZCZTQSA-N 403.487 0.004 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 560626248 NVWUYNXPBVJANO-OAHLLOKOSA-N 401.448 0.470 30 20 HCED CCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 561564417 ASODYYUDUVDWQB-UHFFFAOYSA-N 418.435 0.899 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCOc2cccc(C(F)(F)F)n2)C1=O 561655253 VTGAWIRMMSENDI-LBPRGKRZSA-N 414.384 0.841 30 20 HCED Cc1c(I)cn(Cc2cc(=O)n(C)c(=O)n2C)c(=O)c1C#N 569744834 JXYJISYKOCKGND-UHFFFAOYSA-N 412.187 0.079 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)CC2CCCC2)n1 574243224 DCFLVRLQSKDHFE-UHFFFAOYSA-N 409.450 0.890 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C12CCCC2 575469501 HIMXLRREWXURGJ-JKSUJKDBSA-N 402.499 1.109 30 20 HCED Cc1cc(NC(=O)CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)no1 603629262 LQPGJDFLVBVMSP-UHFFFAOYSA-N 401.427 0.370 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603661910 RBQNVXCLCBUAGZ-HNAYVOBHSA-N 407.540 0.899 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 604517972 LHVDYUSZEIGPKM-GFCCVEGCSA-N 422.488 0.361 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2n(c1C#N)CCS2 609814800 PNCNYBFUORDSRW-UHFFFAOYSA-N 422.492 0.472 30 20 HCED Cc1nc(=NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)n(-c2ccc(C#N)cc2)[nH]1 610389209 LZRCDWSGXPGGPX-JOCBIADPSA-N 420.429 0.360 30 20 HCED COCC1(N(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 611178671 IRWRNRPTPIBMIZ-UHFFFAOYSA-N 406.508 0.502 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(CCCOCC)C[C@H]2C)C1=O 672648273 SZBMKURTBKAZPX-KURKYZTESA-N 408.543 0.485 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1=O 726043796 ZDTSKOJGBCSZQD-UHFFFAOYSA-N 404.335 0.078 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730620451 ISUMQHHCECYYTN-ZDUSSCGKSA-N 403.391 0.366 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1 731127303 BOSQCBLBADXPEN-FQEVSTJZSA-N 403.504 0.961 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn(CC(=O)N(C)C)nn2)C1=O 742783063 WBNCQAXNMYGMIP-GOSISDBHSA-N 407.475 0.682 30 20 HCED C#CCOc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 745213930 XIHXJEJTAMNKFR-KRWDZBQOSA-N 420.487 0.187 30 20 HCED Cc1c(C#N)c(NC(=O)COC(=O)c2cn(CC(N)=O)nn2)n(C2CCCC2)c1C 745467948 JQYLSVOBCCKDGK-UHFFFAOYSA-N 413.438 0.964 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(O)C2)cc1 749771225 CFSCDCOMVPTYDK-XTFSCAMASA-N 408.480 0.421 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OC[C@@H]3CCCCO3)CC2)c1=O 749977920 OOVXFBLKGXMNJM-SFHVURJKSA-N 420.510 0.551 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1cn(CC(=O)N(C)C)nn1 759238538 MDFVLUJKSJOZQT-GFCCVEGCSA-N 414.422 0.693 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C3CCC3)s2)c1=O 760375869 MJXHGAGGNIQSEY-UHFFFAOYSA-N 418.544 0.919 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 761124826 SGXLPUFXSZGTLZ-ZDUSSCGKSA-N 405.430 0.370 30 20 HCED C[C@H](CC(=O)N(CCO)Cc1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 763075518 RIJHVXQHXJMVQE-CQSZACIVSA-N 402.476 0.920 30 20 HCED Cc1cccc2cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c(Cl)nc12 771898860 VOLKBOJFFQXSFA-UHFFFAOYSA-N 421.866 0.906 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(CCSC)c2=O)cn1 772311530 NQBXMVRGPJHFKB-UHFFFAOYSA-N 417.560 0.989 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3CC#N)CC2)cn1C 776984455 SRBHEKMTXPOQTL-UHFFFAOYSA-N 401.492 0.870 30 20 HCED CN(CCOC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)S(=O)(=O)N1CCOCC1 777318469 ODOLKZDEDFYLHB-GOSISDBHSA-N 422.507 0.579 30 20 HCED CC(C)(C)OC(=O)c1cccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)c1 777945965 DCAAWEQLRWXEMD-UHFFFAOYSA-N 410.455 0.377 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCCC1 779318451 QFQQXVOMESIFRP-HNNXBMFYSA-N 403.464 0.637 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)C2=O)n(C)n1 780062361 ZMYCUDIGLCEART-DZGCQCFKSA-N 410.434 0.880 30 20 HCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782441244 UDYOGBGHFVXSCF-UHFFFAOYSA-N 415.431 0.945 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 783479590 FBODLKAKRNNKOG-LBPRGKRZSA-N 412.851 0.714 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 783618784 WNTUNZLQRIZNOO-UHFFFAOYSA-N 400.522 0.777 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 788913637 XLXUNMZUXYEWSI-UHFFFAOYSA-N 413.522 0.349 30 20 HCED Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 789570764 JLSUJVYGYGNCME-ISLYRVAYSA-N 408.418 0.762 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1cc[nH]n1 789947191 XZIVVIRKTRZSCA-UHFFFAOYSA-N 409.443 0.773 30 20 HCED C#CCCN1CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 799310264 FGDKDKIHYWJHAC-UHFFFAOYSA-N 413.565 0.352 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 800129249 VSJRKTJYIQCGOI-UHFFFAOYSA-N 407.418 0.728 30 20 HCED COC(=O)[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(C#N)cc1 803861507 WBGDYPXRHGQBMF-HNNXBMFYSA-N 405.388 0.184 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC)CC1 812026860 PRVGFCWJYAZHDH-UHFFFAOYSA-N 405.466 0.907 30 20 HCED C#CCN(C)CCCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 818606599 YRCVDVVNKRMGHK-UHFFFAOYSA-N 409.508 0.588 30 20 HCED CN1CCN(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 849197460 WFCGSLTUURKPRZ-UHFFFAOYSA-N 421.567 0.649 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)NC2=O)c1 918617084 PTYBMJPZGVNFKI-NJZDQMEHSA-N 407.452 0.426 30 20 HCED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)[C@@H]1CCS(=O)(=O)C1 919988777 DXTNBEOBJPBGQC-CQSZACIVSA-N 424.500 0.809 30 20 HCED O=C(N[C@@H]1CN(CC#Cc2ccccc2Cl)C[C@@H]1O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1083663410 QEGAKQPFHUMQMN-PRHYDEJPSA-N 404.894 0.904 30 20 HCED N#Cc1cn(CCC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c(=O)nc1O 1136482051 QKVHDDXIWUBAJX-UHFFFAOYSA-N 413.409 0.263 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1 1148421963 OETKBXZYYOKNLK-OAHLLOKOSA-N 422.488 0.668 30 20 HCED 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MSCNBDFFCPNDIM-QHCPKHFHSA-N 423.469 0.413 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1837171705 YJGFVSOCGRMNJT-FZKQIMNGSA-N 405.480 0.118 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1837299738 ILNGENYFVMIGJP-UWJYYQICSA-N 422.526 0.482 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)[nH]n3)CCO2)C1 1837583045 AETRGLZCQQWYNQ-OXJNMPFZSA-N 406.483 0.308 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837882773 MRJFSFQUUMHIFO-YJBOKZPZSA-N 408.543 0.790 30 20 HCED Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838395016 LMLYSCDDJMGVOC-JLDPKJTDSA-N 419.482 0.525 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3F)CCO2)C1 1838854094 ZQWHVHVAAVQNPE-IIBYNOLFSA-N 404.438 0.934 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1C 1838944706 GNTDXBQZWFROCW-NRFANRHFSA-N 400.431 0.461 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCCC4)C3)C2)cc1 1838949772 SRMRLSJULCYMDT-JOCHJYFZSA-N 412.490 0.724 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1839173585 AHOPHQNQOVLHQH-KDOFPFPSSA-N 416.421 0.607 30 20 HCED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186324 MZBQOEUQBPIAFD-OAQYLSRUSA-N 419.453 0.733 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)cc1 1839361476 NANXPVBURXSPGW-NRFANRHFSA-N 409.446 0.860 30 20 HCED CC[C@@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420298 AGOSIEYALGRRRW-WIYYLYMNSA-N 418.469 0.765 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1839845616 VRXJTPZVWYBYAL-CXAGYDPISA-N 421.416 0.334 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)C)C2)C1)C(F)(F)F 1839892331 HRWZHTIBRNSZQP-QGZVFWFLSA-N 407.433 0.949 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840026614 PADDECILOFOWOT-JLTOFOAXSA-N 405.426 0.077 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840167466 QQYLUDXQHQUHOR-NRFANRHFSA-N 404.511 0.528 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)C4=COCCC4)CCO3)C2)c1 1840216294 JZYWHXDPZUNLSU-FQEVSTJZSA-N 400.435 0.651 30 20 HCED CC#C[C@@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)CN)C2)C1)c1ccc(O)cc1 1840219804 HQZJQMCZPANOBS-PGRDOPGGSA-N 415.490 0.304 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCCS3)CCO2)C1 1840575212 ADCIKVCLMLLJDW-JXFKEZNVSA-N 424.567 0.620 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CS(=O)(=O)N2CCCC2)C3)cc1 1844928329 RJADSDNRHBKCDF-UHFFFAOYSA-N 416.503 0.801 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2n[nH]c(=O)c3ccccc23)CC1 15527680 KARRPERHDITERR-UHFFFAOYSA-N 423.454 0.941 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 28753550 KJDDBLMCXKIVAS-UHFFFAOYSA-N 410.478 0.333 30 20 HCED CCn1c(N)c(C(=O)CN2CCN(c3cccc(F)c3C#N)CC2)c(=O)[nH]c1=O 52640726 OQLKFGQCAXORRT-UHFFFAOYSA-N 400.414 0.154 30 20 HCED CN(Cc1cc2c(cc1OC(F)F)OCO2)S(=O)(=O)N1CCO[C@@H](C#N)C1 410127675 NTXBNCLGBIHCEA-NSHDSACASA-N 405.379 0.918 30 20 HCED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)C1=O 410307880 SNWOWRDBBXDUNF-AWEZNQCLSA-N 407.521 0.785 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1 410414156 OFHWYYGCUPYIRO-IRXDYDNUSA-N 409.899 0.991 30 20 HCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 428269908 RODUHVIGZOKRBW-CVEARBPZSA-N 405.524 0.954 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 430379541 UIKGXBYHDPUCKS-WBVHZDCISA-N 422.507 0.012 30 20 HCED C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CCN1c1nccn2cnnc12 433394134 KIOOGCXMYRQHRV-RHSMWYFYSA-N 416.445 0.839 30 20 HCED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 437747181 OYMNMCVWRCWMIV-KGLIPLIRSA-N 404.471 0.664 30 20 HCED COCCN(Cc1cccnc1)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 439306130 RVFPGMJWYNBMSG-UHFFFAOYSA-N 419.445 1.456 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)n2)c(F)c1 441783001 BWMSVXVSTPQBJG-CYBMUJFWSA-N 406.443 1.415 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 442441902 NDAGMKRTIXWURV-NSHDSACASA-N 413.463 0.793 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)C2CC2)CC1 444406601 XSMATMMHOJELGP-UHFFFAOYSA-N 407.496 0.196 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(=O)n(C)c1=O 447917919 YTUXDJYCJSAIAS-KKSFZXQISA-N 417.510 0.895 30 20 HCED Cn1cnc2c1c(=O)n(CCCN1CCC[C@]3(CCCCO3)[C@@H]1C#N)c(=O)n2C 447919956 WGUNEVGTMYQQBN-MGPUTAFESA-N 400.483 0.751 30 20 HCED Cc1ccc(Cn2nccc2NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)s1 448531937 KPFPFMMRVUMKED-UHFFFAOYSA-N 412.479 1.166 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 465496914 YOFGDVCACCRTIF-UHFFFAOYSA-N 414.440 0.522 30 20 HCED CC(C)C(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 480787004 ONIUIXDHSRXCMM-AWEZNQCLSA-N 406.508 0.988 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCC2=O)CC1 481758987 FEBIVRBCPGAXBU-CQSZACIVSA-N 404.492 0.838 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1 491155991 LXVRSSOAQNAIMR-UHFFFAOYSA-N 409.284 0.834 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 504436553 YONHMJYLXBTSMI-KSZLIROESA-N 413.478 0.989 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CC#N)CC3)cc2)C[C@H](C)O1 508052586 HMDATZCSFOYBLE-HOTGVXAUSA-N 406.508 0.766 30 20 HCED N#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 508074818 FDPOYKBAKLKSMP-UHFFFAOYSA-N 412.537 0.691 30 20 HCED C=CCOc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1OC 508387750 JNRMKSJBWJXECX-HZPDHXFCSA-N 410.492 0.176 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc(C(=O)OC)nn2)CC1 508488860 LFIDOYIVDAXWLY-UHFFFAOYSA-N 402.459 0.822 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(N)=O)C1 508953888 WESDYSJRJUUZJC-CYBMUJFWSA-N 405.484 0.115 30 20 HCED CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)C(=O)NCC(=O)NCC#N 508962111 QBIMRAOIPNOZHV-UHFFFAOYSA-N 417.466 0.395 30 20 HCED Cn1cc(S(=O)(=O)NC2CCC(Oc3ccccc3C#N)CC2)c(=O)n(C)c1=O 521169628 YFGQQCNAMJYLTF-UHFFFAOYSA-N 418.475 0.624 30 20 HCED C=CCNC(=O)c1ccc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1 523108239 ISIWSRABVOTPLL-UHFFFAOYSA-N 409.494 0.951 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 523760364 RIRCUJCFPANBEG-HNNXBMFYSA-N 406.508 0.608 30 20 HCED N#Cc1nnc2ccccc2c1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 524848662 JWLXCQWHPQTULW-UHFFFAOYSA-N 412.431 0.704 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 532478205 UJEOOGZPKWVNHJ-ZGOJQLDESA-N 403.527 0.729 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cc(C)nn2CCC#N)cc1 532616765 RDCKJFUATOYJRW-UHFFFAOYSA-N 418.479 0.447 30 20 HCED C=CC[C@H](CO)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 539322206 ZPRJSDQDARRVEH-KRWDZBQOSA-N 423.535 0.601 30 20 HCED CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 543002098 SJLFMEYGZBFJND-ZDUSSCGKSA-N 413.413 0.742 30 20 HCED C[C@@H](Nc1cnn(CC(=O)NCCO)c1)C(=O)N(CCC#N)c1ccc(F)cc1 546539035 KZVIQYGYBYYZAV-CQSZACIVSA-N 402.430 0.878 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CN3CCOCC3)cc2)C1=O 550492755 ILADWEBAABXSDS-LJQANCHMSA-N 414.506 0.380 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)C2)nc1 556327126 QFHPLCWCXXZROW-HNNXBMFYSA-N 423.429 0.826 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(C(N)=O)cc3)C2=O)cc1 561704768 RYWIYRZNNZNEOQ-SFHVURJKSA-N 419.441 0.585 30 20 HCED CN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561710904 SYXRGDJRSPGVLU-MOPGFXCFSA-N 411.506 0.576 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3cn4ccccc4n3)CC2)c1 568028358 VPMWWMSMPZSNTR-UHFFFAOYSA-N 403.446 0.608 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 568120225 RMIDDBCYENHKGX-FUHWJXTLSA-N 401.511 0.547 30 20 HCED COC[C@@]1(CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)OCCc2ccccc21 573050083 MNPQPJHOUPXEMW-OAQYLSRUSA-N 411.462 1.275 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)cc1 574207136 NTEFPKDPDHEVJY-UHFFFAOYSA-N 416.434 0.851 30 20 HCED N#Cc1ncn(CCNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)n1 575205275 RDADKSHENUCVIE-UHFFFAOYSA-N 412.522 0.379 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 577163431 NMNSRRULJZOALU-LNMJFAINSA-N 420.473 0.592 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c(F)c1 586873157 CIKPWBYKVFVSDM-LSDHHAIUSA-N 422.482 0.333 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cc(O)cc(C#N)c3)CC2)C[C@@H](C)O1 589168414 GGAAAHMAKCZQIA-OKILXGFUSA-N 408.480 0.376 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C1CC1 590998188 ISLSGWYKTLGVLA-UHFFFAOYSA-N 414.443 0.419 30 20 HCED C=CCN(C/C=C\CN(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 595578069 GXXSYMCACYQCFQ-SPCWZHTESA-N 402.582 0.893 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccnc1 609038905 PNSVGVXRYPVYEZ-UHFFFAOYSA-N 406.467 0.922 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1 609401412 NKPAHZLFIGPBLY-UHFFFAOYSA-N 421.461 0.880 30 20 HCED Cc1nn(-c2ccccc2)c(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1C#N 611347447 BXMYWGWZDGDKOL-HNNXBMFYSA-N 401.492 0.788 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccnn3-c3ccncc3)CC2)nc1 611546024 VBLHKIMSGGHMAQ-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCOC[C@H]2CCOC2)n1 611602458 PZCMKDGAZBKPLT-ZDUSSCGKSA-N 401.398 0.991 30 20 HCED CN(C)S(=O)(=O)N1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 619069244 HRZINLUDAVFRNU-UHFFFAOYSA-N 403.512 0.783 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1 728590022 SDHLEVKHTWXFRT-UHFFFAOYSA-N 413.883 0.182 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c1 730683364 GWKNASSLQWEIEK-UHFFFAOYSA-N 412.493 0.022 30 20 HCED N#CCOc1ccc(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732247631 OPDIBIQIPVPUOT-KRWDZBQOSA-N 410.496 0.877 30 20 HCED COc1ccc(-c2n[nH]c(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)cc1 732466423 NQBZQHJMERONOC-VLGSPTGOSA-N 411.422 0.806 30 20 HCED C#CCCN1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 744364621 SYPURRZIFDTQHL-ZBWUASRJSA-N 408.502 0.957 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 744907470 SBWIAZCIJATGGJ-OCCSQVGLSA-N 417.418 0.963 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 745306445 BFNQNLCOSVWKSL-UHFFFAOYSA-N 422.463 0.403 30 20 HCED NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746112649 SJWLMLGVNFATMU-UQNFDQQLSA-N 411.462 0.274 30 20 HCED N#CCOc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 746795948 VCCWHBHWXVHVON-UHFFFAOYSA-N 421.413 0.896 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)c3ncccc23)CC1 747278186 LSUIGBMDOIPNQC-UHFFFAOYSA-N 416.503 0.689 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC(=O)c1cccc(C#N)c1 748237117 MOWXESZMTVCYHH-UHFFFAOYSA-N 417.443 0.957 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCOC1 749856710 JWCBBFPGTJHGNU-CQSZACIVSA-N 400.504 0.798 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 751578601 JHUOBXNGAQROOS-UHFFFAOYSA-N 413.446 0.331 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOc1ccccc1C#N 762942699 MTEQJZVJJUHICQ-CYBMUJFWSA-N 417.443 0.946 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 767678270 XVGMVMMDXDOHAP-WDEREUQCSA-N 408.436 0.145 30 20 HCED CS(=O)(=O)c1cccc(Cl)c1C=NNC(=S)NCCN1CCOCC1 773187806 PTMUIBRULBTMIT-UHFFFAOYSA-N 404.945 0.874 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCCOC)cc1)[C@@H]1CCCO1 773788833 KOIIGLPULPXFNC-IRXDYDNUSA-N 408.476 0.732 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1 773842543 SIBNDLRBQXYYHW-UHFFFAOYSA-N 407.398 0.979 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCNC(=O)C(F)(F)F 774975432 ZJCZVUTUKKKPMR-SNVBAGLBSA-N 407.370 0.837 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NS(=O)(=O)CCCC#N)n(C)c2)C1 776117374 OZNMYCIMRLNPAQ-CYBMUJFWSA-N 416.525 0.809 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCCC1 779318457 QFQQXVOMESIFRP-OAHLLOKOSA-N 403.464 0.637 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(I)c1 783347682 LTYJGKKJYJRFBM-UHFFFAOYSA-N 422.244 0.947 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2ccn(CCOC)c2c1)[C@H]1CCS(=O)(=O)C1 783479557 DCUIKHQUFZNVIE-KRWDZBQOSA-N 417.487 0.875 30 20 HCED O=C1NCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccccc1F 784585302 XWIHNPQAQBFPEI-QGZVFWFLSA-N 416.434 0.564 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CC3)C2=O)cc1 793201237 JTRGDIKJZURHJN-QGZVFWFLSA-N 420.447 0.212 30 20 HCED Cn1ccc(N2CCC[C@@H](OC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2=O)n1 795325495 ZBGXNNZDEPLUCA-OAHLLOKOSA-N 417.447 0.309 30 20 HCED C[C@]1(C[C@H]2CCCN2C(=O)C(=O)Nc2ccc(F)cc2OCC#N)NC(=O)NC1=O 807357525 MQCKAFWFGUCIHX-CWTRNNRKSA-N 417.397 0.646 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cncn2C)c1 810431564 IYAHVJGALFJMBK-CJLVFECKSA-N 418.479 0.488 30 20 HCED N#C[C@@H](C(=O)CCCCC(N)=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 810534682 ZXWYEJSEWNUIRH-INIZCTEOSA-N 401.423 0.998 30 20 HCED N#Cc1cncc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 811680856 QQCMIGGKKQTPIX-UHFFFAOYSA-N 422.492 0.828 30 20 HCED COc1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc(O)c1O 916332894 IFNVKSWNOYOXDC-UHFFFAOYSA-N 421.479 0.884 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 918268386 CIQSPYLYMJSGOL-UHFFFAOYSA-N 422.489 0.995 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(CO)CC2)cc1 918409742 UQHLSAOCILECIU-FXBPSFAMSA-N 422.507 0.669 30 20 HCED CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 919349946 AKMFIMZLUPSXMJ-UHFFFAOYSA-N 424.435 0.521 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnccc2N2CCN(C)CC2)c1 919860564 CBXZZXNGGNYLJY-UHFFFAOYSA-N 413.503 0.997 30 20 HCED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1122706963 GTPQASVBTZGCMQ-LSDHHAIUSA-N 416.459 0.177 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cn2ccsc2n1 1303411471 PCYGEWZIIQUUDL-CYBMUJFWSA-N 400.468 0.903 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(C(N)=O)C3)CC2)cc1 1318553407 XMJPEIMVURJHNZ-OAHLLOKOSA-N 405.480 0.228 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)COC(C)=O 1321052307 PBAMQPDNDXJBBZ-HIFRSBDPSA-N 411.480 0.324 30 20 HCED COCCN(C(=O)Cn1cc(C#N)c(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 1321639111 SKIXYLFHNJEOKC-HNNXBMFYSA-N 403.460 0.535 30 20 HCED C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H](C)S1(=O)=O 1324249429 FDOCILLFFSCODQ-ZENOOKHLSA-N 418.475 0.797 30 20 HCED Cc1c(C(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)nnn1-c1ccn(C)n1 1343385421 FTQFMBRPKCWOTN-HNNXBMFYSA-N 420.433 0.972 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)c3ccccc3C#N)c2C1 1345411712 LTDPHWHAADBRDN-CYBMUJFWSA-N 401.448 0.572 30 20 HCED CCN1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1472906436 LANPWFZZOWVRTA-QGZVFWFLSA-N 410.478 0.133 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1477484059 JFXIJEIWAAZPEC-UHFFFAOYSA-N 409.487 0.953 30 20 HCED CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543777213 JLRBHRPGXZCWCI-CQSZACIVSA-N 404.854 0.882 30 20 HCED N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c(=O)nc1O 1557601722 XXAVEANMUURAPM-LLVKDONJSA-N 401.810 0.643 30 20 HCED Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(C(N)=O)CCOCC1 1612597133 QNOIPHZJVBANGN-UHFFFAOYSA-N 410.482 0.462 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1662347386 LZEXBMSDIJMCMY-UHFFFAOYSA-N 415.884 0.630 30 20 HCED COc1ccc([C@H](OC)[C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1679534612 QPFVSTFNHXIVRV-BLLLJJGKSA-N 401.423 0.905 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nnnn1CC1CC1 1692530050 UKCKHLJBCNHYCF-IBGZPJMESA-N 412.502 0.991 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CC(=O)NCC(F)(F)F)cc1 1698485641 KPMKIIXOWATREP-ZDUSSCGKSA-N 421.383 0.807 30 20 HCED COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c1 1711929403 YZHIATAZQMQQOI-XJKSGUPXSA-N 420.495 0.674 30 20 HCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1741699180 OHZXDTIWFCUMJJ-MRXNPFEDSA-N 408.466 0.555 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1741803515 QPNDUKZAMHYJEU-HIFRSBDPSA-N 408.484 0.991 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825388 NNTNWJKMNBDYOC-FQEVSTJZSA-N 414.466 0.551 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)C2)C1 1778326751 LIJKZJHLFUUARG-VQTJNVASSA-N 409.458 0.799 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)COC(=O)C(F)(F)F)C3)C2)c1 1778893227 YFOHAMSTMKFBFC-MRXNPFEDSA-N 414.340 0.435 30 20 HCED Cc1noc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779103857 BUQCKFOTCLHLDC-ZSJUENAVSA-N 421.454 0.279 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)n1 1779235314 PTJWCZMTXBTZTN-OAQYLSRUSA-N 413.478 0.421 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779253744 JSKHVMRKAJOAAX-BPPVJHSKSA-N 418.494 0.833 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](COC)NC(C)=O)C2)C1 1779553976 UGKMSXYEKZNXPR-DBXWQHBBSA-N 407.511 0.618 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781094678 HXHCJNQFLPSZPV-UEXGIBASSA-N 423.558 0.253 30 20 HCED CCOCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781175025 WXVQRIOWENIAMN-OAQYLSRUSA-N 401.463 0.976 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]c4ccc(C#N)cc34)CCO2)C1 1781253961 ZGDSOLPGMZZZBS-ZUOKHONESA-N 410.434 0.013 30 20 HCED Cc1ccc(-n2ccnn2)c(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1782166656 GFKKLXAHENSISE-OAQYLSRUSA-N 423.429 0.107 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCS3(=O)=O)C2)C1 1782953311 MGXAUSFPCMRGBP-VQIMIIECSA-N 414.524 0.376 30 20 HCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1O 1783786402 WLHNAHSPLITIOB-MPGHIAIKSA-N 416.430 0.011 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)CCC)C[C@@H]21 1784503852 KOBMUJBJJMQRBI-ZBRFXRBCSA-N 409.527 0.862 30 20 HCED Cn1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/O[C@H]4CCCCO4)C[C@@H]32)n1 1786083361 WHVJCJROKAYDBU-JOIMPGJZSA-N 419.482 0.542 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]2C1 1786800842 AZLLGFIFRTYMCB-QAETUUGQSA-N 408.543 0.551 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cccnc3)[C@H]2C1 1787096534 OJESPMDAWBOLGF-FHWLQOOXSA-N 413.522 0.886 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnncc3C(=O)O)[C@H]2C1 1788886209 UWWOJKSBHTZERE-VCOSZWKGSA-N 422.507 0.723 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)cc(C#N)c3)[C@H]2C1 1790271755 HXEBEXZPQDBNAH-HSCHXYMDSA-N 412.490 0.985 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cccnn4c3)[C@H]2C1 1790430313 LBGRADRXFHOJBB-FVCZOJIISA-N 410.474 0.966 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(Br)c(CC)nn3C)C[C@@H]21 1790790641 VRJIMVYEVQSKGJ-OBJOEFQTSA-N 423.311 0.972 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1790830757 ZJPUVIZAAIGRMI-OQUILHJVSA-N 402.451 0.980 30 20 HCED CCSc1ncccc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC(=O)O)C2 1792399536 IOTMQRCQQUVPGN-FVCICTRLSA-N 403.460 0.485 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1792635107 MJLZNEOPARXFOB-JJLQDPRZSA-N 400.414 0.621 30 20 HCED CC1CCN(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1793200184 DTAJSPYWNKVJLY-OPVJXMOQSA-N 419.570 0.590 30 20 HCED Cc1nn(C)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)c[nH]2)C3)c1F 1794497672 JGNHRVGTZFIDTD-YWVIFJGQSA-N 400.414 0.584 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795276119 GMUWQNCRXIIRCL-ROPHOZQPSA-N 407.474 0.556 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795276271 OKBRAJFJOZJIIP-BOLBYERCSA-N 412.490 0.335 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccccc1 1795379935 YCHXNNGTOLWQJV-PJVZLEMVSA-N 402.491 0.883 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCC#N)n1 1795420453 XDIZLPRPHRZWBO-JLVBRIDZSA-N 401.467 0.180 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ncccn12 1797026454 MRRIBDGRFSVOBJ-HGKCTWBKSA-N 413.478 0.915 30 20 HCED C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)O1 1797196946 KBVUQZUMWCFORN-BFMVXSJESA-N 404.507 0.842 30 20 HCED CCC(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810398 RCKXTXASGICLFE-INQDRTHISA-N 424.498 0.020 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnn1C(C)C 1798152757 SSDGRCGCGYEZNR-DUGXABPWSA-N 415.494 0.526 30 20 HCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(O)no2)ccc1F 1798203842 AHOLQNDXAITNAS-HBCWATKFSA-N 414.393 0.837 30 20 HCED N#Cc1ccc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@H](O)N2CCOCC2)cc1 1798484607 RSPXJMXADZQWMH-JTJHWIPRSA-N 412.490 0.390 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc4c(c2)CC(=O)N4)C3)c1 1798692422 MMASPKZAHGBSQN-CWPLJXCYSA-N 419.441 0.898 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1csc3c1CCCC3)C2 1800777413 SHGLKHYFDQCPQE-DBWKPXFBSA-N 402.472 0.918 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H](O)CC1 1801130075 MDUFWZOJSRGYIA-ZNAOUKSVSA-N 408.495 0.637 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCOC)C2 1802125156 RYZAOFKDGNDVII-KYHPRHEASA-N 423.510 0.529 30 20 HCED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CN(CCO)CCO)[C@H]2c2cccnc2)C1 1802412368 DGUIRWVTNBRSHU-NQIIRXRSSA-N 416.522 0.340 30 20 HCED C[C@](O)(C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)C(F)(F)F 1803996143 CUTCSRCFSKGWOC-MJEQTWJJSA-N 413.352 0.489 30 20 HCED N#CCC(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2cccnc2)[C@H]1c1cccnc1 1804366859 SBMIAFYLLGHEKF-OXJNMPFZSA-N 406.446 0.826 30 20 HCED N=C(N)NCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)/C=N/O[C@H]2CCCCO2)n[nH]1 1819452891 WBFMTONSBNTKSV-IDLMCVDHSA-N 420.474 0.414 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1822918737 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30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628663 FFZXFZQRURWONU-KRWDZBQOSA-N 414.409 0.847 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)NCC)CC2)CC1 1835708194 GRDOTWUNSYYQLA-INIZCTEOSA-N 405.543 0.679 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835911433 CKFOKBYGRHJPNE-AVRDEDQJSA-N 421.538 0.139 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]nc3ncccc13)CCO2 1836451413 XYUYVZAVJPXJTL-NRFANRHFSA-N 409.446 0.441 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)N1C[C@H]2C[C@@H]2C1 1837279829 UAZMINPMBMAESG-KIQACKJLSA-N 401.507 0.196 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440374 GXCBTOGJALDKHD-TTYLXTBDSA-N 424.567 0.834 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648130 CUVLUXPUCSRPKD-QKLQHJQFSA-N 405.499 0.583 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)CNCP(=O)(O)O)CC2)CC1 1837836324 WOOZAGYMKPRABS-UHFFFAOYSA-N 415.427 0.123 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(C(F)(F)F)n1)CCO2 1838190894 ZQLSJZFMSQUGSL-HNNXBMFYSA-N 403.382 0.865 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)C[C@@H]1C)CCO2 1839085659 KFTTZUNSAGACKV-VSFMDVSVSA-N 405.495 0.347 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H]3CCC(=O)N3C1)CCO2 1839085792 PLNWSMMVFBZHGL-SVMVAKDDSA-N 417.506 0.257 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3F)CCO2)C1 1839293907 JAUOSNJRLNAJIY-VFNWGFHPSA-N 420.437 0.640 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1839807708 BKRDNIRUKYYNII-JOCHJYFZSA-N 411.458 0.122 30 20 HCED CC(=O)Nc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)n1 1840157873 CPPFZVBUBDONIV-ORAYPTAESA-N 422.507 0.428 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840174537 KMASDYLNKBLVGM-CBGDNZLLSA-N 405.495 0.420 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1840842889 HWEFEBFOJRRLSN-DYESRHJHSA-N 401.463 0.279 30 20 HCED O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260437 ZHRMZNNGNHBDMX-LSHDLFTRSA-N 403.405 0.340 30 20 HCED O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301554 VHKRBJCXEPBNFT-MRGVZLDZSA-N 406.399 0.664 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844309603 FHTYKWHCLSDCPP-AWEZNQCLSA-N 405.455 0.717 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1845238921 DPHUMWZARPRJBZ-INIZCTEOSA-N 406.446 0.872 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)COc2cccnn2)C1 1846593190 GJNWYBYKRLLDSN-NIQDBXHUSA-N 403.439 0.588 30 20 HCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1848333785 NMQDJPORVSBECH-HOTGVXAUSA-N 408.414 0.790 30 20 HCED CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 24807111 VBGINWPIBUOLIE-OAHLLOKOSA-N 413.521 0.604 30 20 HCED CC(C)CN(CC(N)=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 26128022 UTOITTOYDNGDRI-UHFFFAOYSA-N 414.466 0.898 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCO1 409494476 OXCQEWBGUPBUJK-PWSUYJOCSA-N 402.835 0.643 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1=O 434961515 AYTOVQFODPRDFU-CYBMUJFWSA-N 403.439 0.333 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(-c3ncccn3)noc2=O)CC1 444410455 IVRJWYVJJHROCF-INIZCTEOSA-N 423.408 0.841 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 445918019 YUSDTALLWWUNFU-UHFFFAOYSA-N 408.480 0.170 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 446914804 AAJGMLCSKLCFGK-UHFFFAOYSA-N 412.837 0.993 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 461776385 OOKGXJOAGRSJQC-AWEZNQCLSA-N 409.464 0.558 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)n1 462954734 RRTWBUCACIVBIR-UHFFFAOYSA-N 412.425 1.463 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)n(-c2ncccn2)n1 467491946 WHQUOBIVTAEQJK-UHFFFAOYSA-N 417.433 0.525 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccs3)CC2)c1C#N 472999291 ISDCWPXYIDXWRS-CYBMUJFWSA-N 422.536 0.677 30 20 HCED COc1ccc(NC(=O)c2cnn(C)c2C#N)cc1S(=O)(=O)N[C@H]1CCOC1 477152264 QBQQEUDZKXKATB-LBPRGKRZSA-N 405.436 0.620 30 20 HCED C=C(C)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 481258422 OVMFKEHSFCGWDP-UHFFFAOYSA-N 409.508 0.799 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C#N)CC2)cn1C 482341948 GEWRZFOTNYTANS-UHFFFAOYSA-N 403.464 0.512 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 483596556 XTOLJSXJJQUQHG-TZMCWYRMSA-N 414.509 0.918 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 488107835 NKDYTRKAXZIJLO-IEBWSBKVSA-N 411.524 0.670 30 20 HCED COCCOC[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 491212067 GSCLNEMSQIGWBF-KRWDZBQOSA-N 412.450 0.648 30 20 HCED COCCn1nnc2c1CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 499045546 NJWOWVAUQKRIKJ-UHFFFAOYSA-N 418.479 0.233 30 20 HCED Cc1nn(C)c(C)c1CCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 507124876 FZQBXLJAYCZNKM-UHFFFAOYSA-N 409.494 0.701 30 20 HCED C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508803321 WGKGLJFBZZWXSQ-OKZBNKHCSA-N 418.542 0.931 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cn1 509628825 NQLSMTKKMIWLFA-UHFFFAOYSA-N 408.461 0.775 30 20 HCED N#CC1(F)CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 510918658 FLUZWNZGYFKCHD-GOSISDBHSA-N 416.453 0.825 30 20 HCED Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)N(C)C[C@H](C)C#N 511045231 MUGYOEPECPCNKJ-LLVKDONJSA-N 408.933 0.853 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 516109337 BHEVKBASWGTADV-KRWDZBQOSA-N 408.462 0.558 30 20 HCED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC(C)(CO)CO 533938906 WXWCZFOUTYJPAB-UHFFFAOYSA-N 417.466 0.378 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 534951761 LDDGVUJJBXXSRU-UHFFFAOYSA-N 409.468 0.663 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(N)=O)cc1F 538105070 ZGYYUFZBZARYOK-NSHDSACASA-N 411.397 0.262 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 539266634 MECTWXAFUROWBV-KRWDZBQOSA-N 402.495 0.242 30 20 HCED Cc1nn2cc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cnc2c1Cl 548369973 QHFCNGPVUXUICR-UHFFFAOYSA-N 422.858 0.923 30 20 HCED C[C@@]1(c2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)cc2)NC(=O)NC1=O 557746784 OWQKQXHGUZBDIR-NRFANRHFSA-N 404.430 0.970 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN(C(=O)C(CC)CC)CC2)C1=O 559855271 OJYFUJPYVNYSJJ-KRWDZBQOSA-N 406.527 0.775 30 20 HCED CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 561887866 OLBPTSMMYMMNKU-MRXNPFEDSA-N 422.493 0.968 30 20 HCED C=CCn1c(Cc2noc(Cc3ccc(C(N)=O)cc3)n2)nnc1N1CCOCC1 564239488 GMQGMFHQOAWQOQ-UHFFFAOYSA-N 409.450 0.964 30 20 HCED N#Cc1cncc(S(=O)(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 577113414 RXZMSVDHFOQQRW-SFHVURJKSA-N 414.443 0.768 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 578344124 IJJPHQAMBPVMFC-UHFFFAOYSA-N 409.446 0.935 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)ccc1C#N 581518990 FNHKBHLQKUYGMB-UHFFFAOYSA-N 422.397 0.712 30 20 HCED C=C(C)CN1CCC(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CC1 592080172 LKCCJOLIHGLDOT-UHFFFAOYSA-N 408.480 0.399 30 20 HCED CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 603530554 XZGVATLSVQBOAG-UHFFFAOYSA-N 408.462 0.990 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(F)ccc2N2CCOCC2)C1=O 607082231 HXPGGBFNCYLNFA-UHFFFAOYSA-N 404.398 0.255 30 20 HCED CC(C)CCC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608985363 NEULDLFYXUPZPG-UHFFFAOYSA-N 406.508 0.944 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc(-c2ccccc2)oc1=O 610690248 ZPDAAGAIEIWKEG-CQSZACIVSA-N 405.418 0.902 30 20 HCED N#CCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 611645149 WTLDSISHUYIATM-ZBFHGGJFSA-N 412.899 0.132 30 20 HCED N#CCc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 619477113 FJKBJGACZYLIBV-UHFFFAOYSA-N 412.471 0.803 30 20 HCED C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)C1 619520989 QUXWRCWIPBQSHZ-GOSISDBHSA-N 405.480 0.957 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 672456725 DLECTHUGFBKJQX-MPGHIAIKSA-N 400.479 0.578 30 20 HCED CN1CCC(C#N)(NC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 729520888 OFZMFEJXDVWWHY-UHFFFAOYSA-N 407.315 0.876 30 20 HCED N#C[C@@H](C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909747 FNQDKRAWSLFKTJ-DOMZBBRYSA-N 423.878 0.659 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 745537972 RPPOUGBDMKOSQD-UHFFFAOYSA-N 413.452 0.994 30 20 HCED CC(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 747018977 SNVOYBRDSMELBY-AKKXKAEUSA-N 424.523 0.961 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)cc1 749696578 RVSKVINFVPAJJO-JJTVEENBSA-N 408.480 0.325 30 20 HCED CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 751090889 VUQZYOMSRDNSEN-UHFFFAOYSA-N 416.481 0.254 30 20 HCED COC(=O)[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccc(C#N)c1 751619004 SIKHAVVKEAYFRJ-OAHLLOKOSA-N 401.400 0.813 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cc(C(N)=O)ccc2F)[C@H](C#N)C1 755542745 AMIHRDPVXNDRFA-BXUZGUMPSA-N 419.413 0.738 30 20 HCED CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 757592701 JYGPBRVDXCXKIC-CHWSQXEVSA-N 407.471 0.972 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCCO[C@H](C)c2ccccc2)CC1 761031931 FFLOBOUHZLSUQI-GOSISDBHSA-N 422.551 0.356 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(c3cc(C#N)ncn3)C2)CC1 764853189 IMIANERMSZHECP-UHFFFAOYSA-N 408.484 0.419 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)NC2CCCC2)c1 769765174 UPBZITUHGDTJDD-UHFFFAOYSA-N 408.436 0.148 30 20 HCED N#CCCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 771190197 JDWJKDBZIRLKJK-JSGCOSHPSA-N 415.855 0.037 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCNC(=O)N(C)C 775808749 KFWSIQLQOWPUQY-HNNXBMFYSA-N 423.539 0.869 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c1 781602991 OENGDPPJXKWQIR-UHFFFAOYSA-N 400.413 0.394 30 20 HCED N#CC1(NC(=O)COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCC1 784230765 RDLWEUAMEUXAEG-AWEZNQCLSA-N 412.402 0.022 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ncn(Cc3ccccc3)n2)n1 789789216 SKXLHGQRCNBUHI-UHFFFAOYSA-N 421.461 0.770 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(Cn2nc(CC#N)n(C)c2=S)C1 794645933 QJULTIHTCAAUFO-ZDUSSCGKSA-N 402.546 0.347 30 20 HCED CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)[C@@H]1CCN(S(C)(=O)=O)C1 794783622 ADVNQARDZPESJZ-TZMCWYRMSA-N 403.464 0.477 30 20 HCED C[C@@H](C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798939133 ICFJVEQZJVNHLE-UONOGXRCSA-N 419.486 0.590 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2N)cc1 800235821 NARUERUCCLLBQE-UHFFFAOYSA-N 402.432 0.278 30 20 HCED CCN(CCOCCO)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 800606225 MBXDBISKTMNBKF-INIZCTEOSA-N 411.524 0.997 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 803138037 WAFXWODXWNNEDG-CVEARBPZSA-N 422.526 0.995 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 804053330 IVRXNPBUCMGMPS-WOJBJXKFSA-N 411.506 0.182 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 807289891 MBSKQYWAGKHDTO-UHFFFAOYSA-N 407.478 0.947 30 20 HCED Cn1c(N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c(=O)n(C)c1=O 808121195 CALYKAKLGLMSHT-AWEZNQCLSA-N 418.498 0.087 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 810996737 WNUNLZACICTVCQ-UHFFFAOYSA-N 414.427 0.701 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCc3nnn(C)c3C2)c1 812945888 JOIKKHHHAPGGQM-QGZVFWFLSA-N 407.474 0.793 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c1 813981366 MZNVPLNDSVTLRK-KCQAQPDRSA-N 409.493 0.484 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCNC(=O)[C@@H]3CC(=O)OC)ccc2c1=O 830142382 QMSCOFHXVUTHPV-AWEZNQCLSA-N 416.459 0.375 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1CCCNC1=O 915434371 QFQYJPISRUHHDQ-UHFFFAOYSA-N 405.455 0.910 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 919253218 XQIWYTSBSHROPY-HZPDHXFCSA-N 424.523 0.923 30 20 HCED C=CC[C@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)O 1321167506 WMDPQTCSYUNYCP-AWEZNQCLSA-N 412.464 0.404 30 20 HCED C=CCOC[C@H](NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OC 1321592100 NXYYSCNWKWXUQP-ZFWWWQNUSA-N 413.496 0.840 30 20 HCED O=C(Cn1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1)NC1CCCC1 1334267263 YJZAIBVBOGBVHC-ZPHPHTNESA-N 400.439 0.198 30 20 HCED N#CCc1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1344427661 MSTKFLLRUYANAF-UHFFFAOYSA-N 418.519 0.877 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 1460710163 ZGMVOIKUNWNZLU-IBGZPJMESA-N 418.586 0.485 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC2CCS(=O)(=O)CC2)CCO1 1521129984 QARWKOSAJPIVFJ-OAHLLOKOSA-N 402.480 0.894 30 20 HCED C[C@H]1CN(Cc2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1641030640 RVPLUYCXJPOLDC-GASCZTMLSA-N 411.462 0.860 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)C[C@@H](C)O1 1672180145 YPYPWHXSMHBIBJ-HUUCEWRRSA-N 422.511 0.651 30 20 HCED COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1697939034 YWMHIGDOHSJIKA-KBPBESRZSA-N 412.516 0.434 30 20 HCED CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706642527 OBNRRQOEFZHUHE-INIZCTEOSA-N 414.514 0.215 30 20 HCED CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711404728 RGHWXZXKMSIYGS-KRWDZBQOSA-N 411.514 0.452 30 20 HCED COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1712423381 ZOFJLZFFQGLPAO-UHFFFAOYSA-N 418.523 0.630 30 20 HCED COCCN1C[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1712469887 LVWCVVUUGVHELT-BIENJYKASA-N 419.461 0.166 30 20 HCED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1770461397 SNVHZOIZMIVFMX-HNNXBMFYSA-N 405.480 0.651 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165773 DOIGGZMALFLUDG-XOBRGWDASA-N 418.519 0.488 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1778557384 LNOHYCHCKPRSLV-HRAATJIYSA-N 400.479 0.701 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C34CC(C(=O)OC)(C3)C4)CCO2)C1 1778972663 DBVMDWORLQEPCI-ZSVWIGLLSA-N 420.506 0.733 30 20 HCED Cc1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779100890 GTSZFVNMCCELMW-SNLHJCLZSA-N 417.466 0.758 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1779218650 AGJBWYHRIKFCCP-MDZRGWNJSA-N 406.487 0.545 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1781269605 BMQUEKAQWMNFMT-IBGZPJMESA-N 407.423 0.120 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1snnc1C1CC1)C2 1782010055 IVCHONPIVZPEDW-BFUOFWGJSA-N 418.475 0.631 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)cc1F)C2 1782013721 CJIWIURUWNVWKH-OXQOHEQNSA-N 404.394 0.747 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H]2CCNC(=O)C2)C1 1782270588 YZKMLFUTELRMHQ-ZGPJWRFFSA-N 422.526 0.827 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782438983 QRADCEJFXFFHQT-JTSKRJEESA-N 416.522 0.925 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2CC(=O)C2)C1 1783150606 FMCXFSRCECXIDS-FPSSLUBQSA-N 403.479 0.338 30 20 HCED CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1783188149 DPHZYDYMZZQLQO-OAQYLSRUSA-N 416.453 0.596 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4ccnn34)C[C@@H]21 1784482305 HKXUJJHJXNDLSC-DUPRYPCISA-N 410.474 0.966 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784983424 LOXUGYCLKPJXBS-JKQORVJESA-N 421.498 0.375 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cncnc1)CCO2 1785376366 SEAFYRLDXPRLHG-NRFANRHFSA-N 407.430 0.871 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccccc3O)[C@H]2C1 1785800413 DJMNGTSUOXSXOG-LYGXWFJISA-N 413.474 0.844 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnc[nH]3)C[C@@H]21 1786857923 KHYZDUMDMLVQTK-XIRDDKMYSA-N 402.499 0.214 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@H](N)c4ccccn4)[C@H]3C2)c1 1786869823 UPRZFQSPYROCOX-STEAMIEHSA-N 408.462 0.575 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Nc3cnccn3)[C@H]2C1 1788621758 JYDNCUUBAMLUTL-ADHGMGHFSA-N 417.510 0.848 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)Nc3cnccn3)[C@H]2C1 1788623675 XIGAOKGFMKVOEI-FPSMNIFISA-N 415.494 0.295 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cncnc3)C[C@@H]21 1788676862 QDUNHOGFMPCKMC-VEOJPIIHSA-N 411.462 0.711 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cn(C)nc3C)C[C@@H]21 1789890560 WPXIPKBMRUUQTE-SZMVWBNQSA-N 418.494 0.831 30 20 HCED Cc1cccc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)C#CC(=O)O)C[C@@H]43)n[nH]c12 1790479971 POZJPWXAMYQBHX-BPUTZDHNSA-N 410.430 0.553 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3CC(=O)C3)C[C@@H]21 1792148449 ICKVUMCCNYFBJY-QSFXBCCZSA-N 411.458 0.896 30 20 HCED 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0.742 30 20 HCED NC(=O)[C@@H](N)CCC(=O)N1CCCC2(CCN(C(=O)/C=N/N3CCCCC3)CC2)C1 1809822029 PFNMCETWHSFZDF-SYXCRGJESA-N 420.558 0.282 30 20 HCED CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1810090416 PJHVPOFFGHTRLP-XKGZKEIXSA-N 414.462 0.565 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2ccnc(Cl)n2)[C@H]1c1cccnc1 1810778447 ZFRBSZBYSVTLMF-SUMWQHHRSA-N 413.821 0.933 30 20 HCED CCOc1cnc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)cn1 1816133909 SOPCAZPAEYGKBI-AWEZNQCLSA-N 412.406 0.992 30 20 HCED CC(C)(C#N)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821032965 SOPKZIJNJZHZEI-SECBINFHSA-N 413.463 0.808 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1CCc2nc(NC(=O)c3nccnc3C(N)=O)sc2C1 1821041874 BRSXLZWUIBFHPU-HTQZYQBOSA-N 406.493 0.576 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1822918738 YQFXFXRCEXCWRU-PWSUYJOCSA-N 422.463 0.673 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1825667154 NDBHUOOXYUVTID-ZGXHQARYSA-N 403.464 0.615 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4=NN(C)C(=O)CC4)C3)C2)C1 1829663860 PTHUEVHWZKQWLX-FQEVSTJZSA-N 404.467 0.017 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)CC(N)=O)C2)C1 1829777740 CEPDZVFDVRNVEC-IERDGZPVSA-N 409.527 0.947 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2)C(F)(F)F 1829829806 FNYQUABQULDQOX-PBHICJAKSA-N 418.368 0.888 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(Cl)nc3)C2)C1 1830050245 PKQZKUMWKNUVGM-GOSISDBHSA-N 407.858 0.750 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1ccccc1=O 1830057626 IAOOSPFLJVPREU-HRAATJIYSA-N 416.478 0.415 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cscc3OC)C2)C1 1831392163 JTWCISGKJMBKNF-FOIQADDNSA-N 422.503 0.865 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)c3)C2)C1 1831396259 IMLCWWRTDDTGNB-DYESRHJHSA-N 401.463 0.498 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cn[nH]c3)C2)C1 1831485536 WTBWXYMBPMMQQZ-HKUYNNGSSA-N 410.540 0.753 30 20 HCED 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CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1834715314 STNMEXIQFRKXFY-IBGZPJMESA-N 416.570 0.368 30 20 HCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768772 OHNSXUISWRVCIJ-JXXFODFXSA-N 405.451 0.112 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3ccn(C)n3)CC2)CC1 1834846095 BMAPICSNVFEMMF-KRWDZBQOSA-N 415.538 0.573 30 20 HCED COc1cccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1835030415 QTLIFEWJJHRMKA-NRFANRHFSA-N 401.463 0.998 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3C=CCN3)CC2)CC1 1835051196 WLEJNQZNRRVULC-IBGZPJMESA-N 416.570 0.368 30 20 HCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835112671 UGYLHOSIDKMBPV-MLGOLLRUSA-N 420.539 0.274 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCN4CCCCC4)CCO3)C2)CC1 1835132266 QCGPPWSKSDOQKI-OAQYLSRUSA-N 404.511 0.623 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccc5[nH]ccc45)C3)C2)CC1 1835342381 SKPZPZFMSOFCGV-NRFANRHFSA-N 409.446 0.937 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1835351039 HZDZRSYNNUSUOE-GOSISDBHSA-N 408.842 0.814 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1835712802 DKLITELZOSXKQI-MSOLQXFVSA-N 420.554 0.410 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CCO2 1836638235 FNAYSZPNNWOHIS-IIBYNOLFSA-N 421.494 0.333 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561583 WBBPHPWFSXUWFM-FFCJBUTOSA-N 414.462 0.807 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837690174 MLHCKUHJOVACQQ-LAUBAEHRSA-N 401.463 0.279 30 20 HCED C[C@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837741192 JMTIZIFIWNJNTL-OXJNMPFZSA-N 401.467 0.642 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838146995 JHMKPZWKKLLEIV-UWJYYQICSA-N 420.510 0.873 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nn[nH]c3C(F)(F)F)CCO2)C1 1838767633 NDQRPSCJGFDIEC-OTYXRUKQSA-N 423.417 0.212 30 20 HCED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905894 FCEVDUUCRWWZBO-NRFANRHFSA-N 400.479 0.580 30 20 HCED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)C1 1839364285 WVXJYMCEMQCTDS-JOCHJYFZSA-N 412.490 0.384 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)/C(=C/c1ccco1)NC(C)=O)CCO2 1839391075 YUQSSLOZNVMRTI-CNEDASOKSA-N 417.462 0.789 30 20 HCED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487965 OHKDDRBIECLGLH-HXUWFJFHSA-N 413.434 0.151 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)CCC1 1839631600 NPIDGEGWMPSALR-OAQYLSRUSA-N 424.461 0.722 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3Cc4ccccc4C3=O)C2)C1 1839807709 BKRDNIRUKYYNII-QFIPXVFZSA-N 411.458 0.122 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3Cl)C2)C1 1839808326 YPDDKSLELSSDMS-IBGZPJMESA-N 402.838 0.871 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](C#CC)c3ccc(O)cc3)C2)C1 1839810956 YZIPSSGRHVHABP-AUSIDOKSSA-N 410.470 0.979 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1840061251 LQSPOULTOHTICX-HSZRJFAPSA-N 421.453 0.909 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840161093 DGDCAZVZQRQBDX-LIRRHRJNSA-N 408.524 0.608 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CCc2ncccc2-3)C1 1844663809 DMYZUDPUYMECKC-UHFFFAOYSA-N 405.414 0.475 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845068509 ITZMSJLGWDFXGH-KIUVSXKZSA-N 414.506 0.449 30 20 HCED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)Cn2ccncc2=O)C1)c1cccs1 1845767076 AJQOESCBPSQAGL-SNAWJCMRSA-N 412.471 0.947 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1846120809 PNJQUYKMQZYXCI-HNNXBMFYSA-N 403.479 0.849 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1cccc(OC3CCOCC3)n1)C2 1846196033 DGQRFXPATNBEMN-UHFFFAOYSA-N 413.430 0.544 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1 13258511 IZTHOIWDNOXQTA-UHFFFAOYSA-N 415.427 0.665 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(S(C)(=O)=O)CC1 54876639 NPLBABXUZBOHAQ-UHFFFAOYSA-N 408.480 0.778 30 20 HCED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1 55348537 YNNOLWJBIDFQFI-OAHLLOKOSA-N 414.487 1.000 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H]4CCCN(C)C4)CC3)CC2)o1 261463718 URCVYAPDKRXZNR-GOSISDBHSA-N 415.542 0.215 30 20 HCED C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)N1CCO[C@@H](C#N)C1 409537707 RIALASOCKQUSPH-KGLIPLIRSA-N 421.479 0.151 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 430391694 HEXHTMNFEXRTEI-ZBFHGGJFSA-N 413.482 0.109 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 430398536 IWLFYSKLWIUBSQ-NVXWUHKLSA-N 400.483 0.346 30 20 HCED CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 437735430 KLZHGZDCUZDHMK-NEWSRXKRSA-N 420.535 0.889 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)cc1 439814460 AUDRYWQBPOVGLY-CQSZACIVSA-N 410.496 0.448 30 20 HCED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 441363581 XOWOMKNVYCMWNZ-FQEVSTJZSA-N 413.434 0.730 30 20 HCED C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CN1CCOCC1 443245233 QSYZJQSATSNSFQ-OAHLLOKOSA-N 407.414 0.939 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)[C@H]1CCS(=O)(=O)C1 446511480 HVZSTVWCZBXTJR-AWEZNQCLSA-N 409.464 0.292 30 20 HCED C=CC[C@H]1N(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCC1(C)C 447424788 YVVCFGRRDAJCMY-MRXNPFEDSA-N 417.510 1.274 30 20 HCED COCCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C#N)cc1 460354351 SWLZATMHUXRLLS-UHFFFAOYSA-N 410.434 0.375 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C(N)=O)o2)CC1 475277935 ZPEKNHVNJYCPML-UHFFFAOYSA-N 417.447 0.466 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(OC)s2)c1=O 477345921 FUKPXMWULRMRQX-UHFFFAOYSA-N 404.513 0.871 30 20 HCED N#CCCN(C(=O)CCC(=O)N1CCN(CCS(N)(=O)=O)CC1)c1ccccc1 478301979 FLDFHVMSEYKCEF-UHFFFAOYSA-N 421.523 0.146 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1Cc1ccon1 480926771 LPBIPRZILGTRKF-UHFFFAOYSA-N 424.482 0.520 30 20 HCED C=CCOC[C@H](NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 481753951 WEEICJMBBXYQGF-CABCVRRESA-N 404.419 0.671 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)COc3ccccc3)C2=O)cc1 486015858 JRLCBEAQSBWPPB-LJQANCHMSA-N 406.442 0.971 30 20 HCED N#Cc1ccncc1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 487216039 CHCJRJJVJNFGDS-UHFFFAOYSA-N 400.416 0.527 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[S@@](=O)[C@H](C)C2)cc1 493887804 HTGZEGZFFYTADY-ZBSNKRKSSA-N 413.521 0.411 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c1 494790370 KFSDUVWFYJCMTF-CQSZACIVSA-N 401.510 0.305 30 20 HCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c(N)nc(C#N)c1C#N 504177348 UCBFQHKPTHYAGZ-UHFFFAOYSA-N 416.467 0.164 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)nn1CCC#N 504481051 JRVVXZOGGPNTNS-UHFFFAOYSA-N 424.509 0.767 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 506736759 HKPQAYJWEGHQDS-UONOGXRCSA-N 408.480 0.730 30 20 HCED CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510619399 XCVBEMSWVYDNLR-UHFFFAOYSA-N 404.519 0.275 30 20 HCED CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 513125315 CPYRMCMOBOMGBH-SNVBAGLBSA-N 422.326 0.881 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)cc1OCC 518245259 LEPIBHFHATVOMZ-UHFFFAOYSA-N 410.496 0.430 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN2CCOCC2)c2ccccc2)C1=O 523413794 KVCXPEWKYRTPET-UHFFFAOYSA-N 400.435 0.329 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc(OC)nc1 531130992 FTZWZSCMQFPTRD-UHFFFAOYSA-N 423.479 0.485 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 531786083 XWCVIYKGWKLIJF-MRXNPFEDSA-N 402.480 0.107 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)c1=O 532835609 TZDRMMRBPDIOJO-UHFFFAOYSA-N 412.402 0.417 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 540794731 UXGPLCLGVDEMNB-CQSZACIVSA-N 415.899 0.292 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)S(C)(=O)=O 542075967 XZYLTBMRCUCXKE-SNVBAGLBSA-N 409.855 0.885 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCC(CC#N)CC2)cc(S(C)(=O)=O)c1 543826460 OAMPTBBTOMMILC-UHFFFAOYSA-N 407.448 0.967 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(OCCC(N)=O)cc3)CC2)n1 544863861 FRUBATDCPRELPU-UHFFFAOYSA-N 422.445 0.495 30 20 HCED N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 548251743 HHQZSHHQNQARFE-UHFFFAOYSA-N 409.445 0.481 30 20 HCED N#Cc1cnn2cc(CNCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cnc12 559868353 FVJLONGTNJKZDV-UHFFFAOYSA-N 401.408 0.577 30 20 HCED C[C@H]1Cc2ccccc2N1CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 560855803 MDKYIVSKGDMJAR-AWEZNQCLSA-N 409.494 0.822 30 20 HCED CCOC(=O)CC[C@]1(C)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 561688254 GINNPPZSOCSUQQ-KRWDZBQOSA-N 408.436 0.381 30 20 HCED COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1 561924154 CMQFYIRYDHHLSR-UHFFFAOYSA-N 413.438 0.335 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n1 575912126 GZHVATICHDPMIU-UHFFFAOYSA-N 408.340 1.439 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cn(C)nc1C(F)(F)F 579750758 ZLXFBFAJIPAETH-UHFFFAOYSA-N 412.376 0.323 30 20 HCED COC(=O)C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(=O)OC 588110493 WBHMWAHUEBMLPB-SNVBAGLBSA-N 405.226 0.704 30 20 HCED Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)c1 600879589 XGQICSXOOYQBJO-UHFFFAOYSA-N 419.489 0.654 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 603552962 HMZJKCOSRSDATJ-UHFFFAOYSA-N 405.483 0.497 30 20 HCED N#Cc1c(CCCNC(=O)CCCN2C(=O)CNC2=O)nn(-c2ccccc2)c1N 603625778 KCSZTMFXBAUQNP-UHFFFAOYSA-N 409.450 0.707 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cn1 609788635 LCQKCJRIGPQNMT-MRXNPFEDSA-N 401.448 0.128 30 20 HCED CCO[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 610002105 CVIIUUCNJUTNMP-GOSISDBHSA-N 420.535 0.892 30 20 HCED COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 610838301 XRGGYLLKTRXEGG-CJNGLKHVSA-N 411.480 0.650 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)C1=O 623228812 FRLDZTPEIVTQCP-OAHLLOKOSA-N 414.462 0.500 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 680447097 PFEBRHPKTGJSCW-ZDUSSCGKSA-N 413.496 0.716 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(CNC(C)=O)o2)C1=O 726043833 SOBWNTHMHPHNOY-JTQLQIEISA-N 405.363 0.007 30 20 HCED C[C@@]1(c2ccc(CNC(=O)NCCNc3ccc(C#N)cn3)cc2)NC(=O)NC1=O 726233913 INDZKRGHBGORES-FQEVSTJZSA-N 407.434 0.919 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3noc(CC)n3)CC2)cc1 731853320 IWSRYFJGSBVWIM-UHFFFAOYSA-N 417.491 0.502 30 20 HCED C#CCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 741448693 DBIHFKQXOYPLIL-INIZCTEOSA-N 415.519 0.808 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 743905867 JOLJOMZPEGHWQA-UHFFFAOYSA-N 416.453 0.543 30 20 HCED CN(CCCC(=O)OCCn1ncc(C#N)c1N)C1=NS(=O)(=O)c2ccccc21 744111911 PMTVMYIHMLOVQJ-UHFFFAOYSA-N 416.463 0.741 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 745434349 XWSVOFVQKCFQRZ-IBGZPJMESA-N 421.475 0.514 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)ccc1F 750515995 KTXZZVDJWZDOOX-GFCCVEGCSA-N 405.473 0.054 30 20 HCED C#CCOCCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 752451082 VWUMUBZSLSJFFF-UHFFFAOYSA-N 411.480 0.878 30 20 HCED COC(=O)C[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 752745582 CHOJJCCIEYWUIG-QWHCGFSZSA-N 409.464 0.294 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1 753557684 IQBYSKQLDBAPFU-UHFFFAOYSA-N 412.489 0.688 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(F)c1F 756170747 VAHPVQXAUGCWSA-PFONDFGASA-N 415.374 0.556 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2sccc2C)c1=O 758060358 YUHIWZPXBBIWBJ-UHFFFAOYSA-N 415.565 0.991 30 20 HCED N#Cc1ccc([C@@H](O)CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1 763478855 MMXBJQFMBOFNJQ-SFHVURJKSA-N 421.457 0.983 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)cc1 764073614 HXOLGKKXNSKYQX-XLIONFOSSA-N 418.563 0.696 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 764075731 OJPZYUXSJJNEOU-XLIONFOSSA-N 418.563 0.696 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 764409049 XBXLEIIGLQFGET-AWEZNQCLSA-N 415.313 0.061 30 20 HCED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)OCC(=O)NCC#N)C1=O 771412555 OTQGWSVWLUCZER-INIZCTEOSA-N 423.223 0.399 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 780065727 XXMGTPQWHVKBTL-HZSPNIEDSA-N 408.480 0.750 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782087414 FZLYAKAEBBOCEX-GJZGRUSLSA-N 422.507 0.113 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)CC1 782101350 NLFBRSSBWXAGBJ-GOSISDBHSA-N 408.424 0.956 30 20 HCED COc1c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cccc1C(N)=O 782841810 GXVKQJDDEKLKBI-UHFFFAOYSA-N 402.432 0.861 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)c1 783455152 NESORUWXQLHJFH-UHFFFAOYSA-N 403.402 0.679 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCC#N)c2)C1 783495001 HANZSKLADSFQEX-HUUCEWRRSA-N 402.451 0.917 30 20 HCED CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 784169525 FHKJMZINGVXTCY-UHFFFAOYSA-N 404.408 0.678 30 20 HCED C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789737602 PZPGBXZMAOSECK-ZSPVLXODSA-N 416.525 0.718 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(=O)NC3CCN(CC#N)CC3)C[C@@H]2C1 805062233 AGTUFDLYVPXVHA-GASCZTMLSA-N 405.499 0.416 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 809502622 PWQIYPIXJLSIGE-HNNXBMFYSA-N 415.494 0.242 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810379873 OANQLNNYXOVTNH-AWEZNQCLSA-N 408.480 0.962 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 810775513 IYCHRFRPFHEPPM-UHFFFAOYSA-N 407.477 0.629 30 20 HCED C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812388391 BAZDKJYETSJHIZ-AEFFLSMTSA-N 415.519 0.927 30 20 HCED CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 813563213 HWPJAFDNYZMKBJ-NFNFHZRSSA-N 403.508 0.727 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 813984340 RYAZFIZSJLKYHT-HNNXBMFYSA-N 416.394 0.017 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccccc1OCCN1CCOCC1 849065893 GYAGUDHWIDJAIV-UHFFFAOYSA-N 405.543 0.395 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 918401316 AXEZGSLNVUQTQA-IBGZPJMESA-N 421.457 0.898 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnn(CC(N)=O)c1 918581587 NOTVINGWFSCRRW-AWEZNQCLSA-N 418.479 0.460 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)Nc2n[nH]c(CCCNC)c2C#N)c1=O 918757028 JBHFHBFXORSOEA-UHFFFAOYSA-N 409.450 0.569 30 20 HCED C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1071042407 SLHCPHLBQQXADJ-JHMPBIJASA-N 404.511 0.781 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1286959159 SUYBHSBNFBVYHL-AWEZNQCLSA-N 408.528 0.935 30 20 HCED 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30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779223991 ZIYRUAXXHKSWMT-WRJCRLLZSA-N 417.514 0.216 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779314075 CSFDIZCKUCNYCU-UTKZUKDTSA-N 409.527 0.960 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C=CCN1)C2 1779362934 XFCGHAGGAUYHLS-DACJCMDESA-N 403.527 0.500 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C(=O)Nc2cccnc2)C1 1779489100 NKTLZPMHHBWMKK-ZXYWRSMDSA-N 406.508 0.852 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(CO)on4)C3)C2)cc1 1780394928 KJNPSFAVVHAEOT-OAQYLSRUSA-N 410.430 0.990 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ncnn2C)CCO3)c(C#N)c1 1781173873 FWHBTKRYCLCNOD-OAQYLSRUSA-N 424.461 0.382 30 20 HCED CCOc1ncccc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782009154 BYDHYGYDFWCQPP-IIBYNOLFSA-N 415.446 0.696 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4nccc34)C2)C1 1782331180 VGQWLXNLPUZYCE-QJKPHDSHSA-N 423.473 0.636 30 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N#CCCC(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1835100021 QXHNLEZMHVWEMI-UHFFFAOYSA-N 403.443 0.807 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(Cl)ncn4)C3)C2)CC1 1835344586 LWJIYXYYSDWICV-GOSISDBHSA-N 405.842 0.504 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ccncc3)C2)C1 1835354930 LIGXAVFVRLMHLN-IBGZPJMESA-N 404.492 0.934 30 20 HCED CC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835458482 UYHHPKKGFJDKIB-LDSVYWLUSA-N 419.425 0.627 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1835713715 LRGHQYGVWNGBNL-KRWDZBQOSA-N 418.542 0.573 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3nc(C)no3)CCO2)C1 1836072639 OHVPQVRZKIPATC-LIRRHRJNSA-N 423.470 0.178 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836203374 ZSRWFULEUYXQIJ-XLIONFOSSA-N 421.498 0.449 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1837390882 FJJAXFBAQKYFNX-HMFYCAOWSA-N 423.554 0.500 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1837402761 DLSPTWUCUZUFAL-UTKZUKDTSA-N 420.510 0.221 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486541 ITTPOOUEFKMZHX-KNQAVFIVSA-N 422.522 0.158 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ncc[nH]3)C2)C1 1837489045 YEBNKIMDZYQDHE-OAQYLSRUSA-N 416.478 0.178 30 20 HCED N[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)c1ccccn1 1837875774 MLBGHGHBDYHVGX-HXUWFJFHSA-N 414.462 0.168 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1 1838288427 XFAPJLBMWJLMTI-INIZCTEOSA-N 412.600 0.551 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838311070 KPNATPRZNVAXGW-LJQANCHMSA-N 408.886 0.947 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2)C(F)(F)F 1838339364 KSZGDNILHTVEOT-KRWDZBQOSA-N 415.368 0.509 30 20 HCED Cc1cnoc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1838395015 LMLYSCDDJMGVOC-BCVDLATCSA-N 419.482 0.525 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1839226907 XXWXATKUBIYNSN-LIRRHRJNSA-N 424.454 0.038 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)c([N+](=O)[O-])c3)C2)C1 1839809863 PAQMIQFRWZHETM-FQEVSTJZSA-N 401.419 0.535 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1F 1840045181 VIFYZFWPSHXWHS-HXUWFJFHSA-N 422.384 0.431 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840159114 WQFKLBSMGFYWTM-APPDUMDISA-N 415.899 0.829 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1840170555 NTLOQIXLAAPEJJ-GHTZIAJQSA-N 402.495 0.779 30 20 HCED Cc1ccc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840667365 YRAKBNZJRRCEBR-OAQYLSRUSA-N 400.431 0.461 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](C(=O)OC)CC3)C2)C1 1840840265 IVDZYYCNEJGCPB-JBYIUTFZSA-N 420.506 0.836 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840852484 OUKMQWZXGCTQEJ-OXQOHEQNSA-N 406.483 0.051 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1841055131 XIOXESUZSFRCAZ-SREVYHEPSA-N 408.458 0.605 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccn(C(F)F)c2=O)C1 1844400858 UOVNLMYTLOHWPP-SREVYHEPSA-N 420.416 0.919 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cc(-n3ccnc3)ccn2)C1 1844816933 RXZDITCOEOARPG-PLNGDYQASA-N 420.473 0.943 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846979783 JUWZGMRMDHBYKK-QGZVFWFLSA-N 414.462 0.292 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)cc1 1847211079 UAMVXTQJLJWQOY-IRXDYDNUSA-N 409.446 0.244 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 22393859 OFXMLIHETQSQAB-JTQLQIEISA-N 417.281 0.994 30 20 HCED Cc1cc(NC(=O)CN2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)no1 433345286 WPHVFEKKUGPCJO-HNNXBMFYSA-N 414.491 1.278 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC2(N3CCOCC3)CC2)n1 434593877 FSQRCIGWKSBJMW-UHFFFAOYSA-N 412.425 0.803 30 20 HCED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(N)=O 439804811 MAYMKJVLBOQEGO-AWEZNQCLSA-N 402.842 1.352 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CS(=O)(=O)CC 460550443 HPRIJZMIBVFTQI-OLZOCXBDSA-N 407.562 0.724 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(Cc3ccon3)CC2)cn1 460614844 PUJUPTGHZYTZBX-UHFFFAOYSA-N 406.406 0.410 30 20 HCED C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 468780690 BWYQSEHRVZFELC-HNNXBMFYSA-N 420.535 0.844 30 20 HCED C=CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCS(=O)(=O)C1 472735400 XDDXFLGEJJRTHA-NSHDSACASA-N 421.928 0.601 30 20 HCED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 474219149 VRXIARNSTYHHCI-LSDHHAIUSA-N 408.524 0.529 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccnn3CC)C2=O)CC1 480131721 DUIQGRJLPOWNKD-INIZCTEOSA-N 417.514 0.028 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 482399786 CPYALBNLWXHPAL-BLLLJJGKSA-N 418.500 0.986 30 20 HCED COC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 484965234 ASWQBTPCOWYKCY-IBGZPJMESA-N 410.426 0.935 30 20 HCED CC(C)(C#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 497582239 KXDNRHGHPAYWKU-UHFFFAOYSA-N 406.464 0.790 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 498836693 QUIJGIDLHBJDAV-UHFFFAOYSA-N 412.471 0.951 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cnc(C#N)c2C#N)CC1 499489360 VRVRJYCTOWHNCK-UHFFFAOYSA-N 409.431 0.031 30 20 HCED COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1OCC(F)(F)F 508367253 XOQVNKDJZACMDE-UHFFFAOYSA-N 412.328 0.854 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncccc2C#N)CC1 509000721 KGRKVCIDUCOHNY-AWEZNQCLSA-N 416.511 0.668 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccon2)c1=O 512721595 XDFWDDXCGCDCOQ-UHFFFAOYSA-N 424.486 0.288 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512986588 JPJLGXDPJXRWIF-LLVKDONJSA-N 407.427 0.713 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 518034891 UXTAONYOBBPZEF-UHFFFAOYSA-N 416.459 0.783 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)C1=O 523001404 DOPIWGPJXQJHAK-RYUDHWBXSA-N 421.479 0.668 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 523732830 FKNBTYNFJIZNOA-UHFFFAOYSA-N 415.519 0.242 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 524096057 BVYQZOWYHVJSLP-UHFFFAOYSA-N 419.485 0.747 30 20 HCED Cc1ccc(C(=O)NCCC(=O)NCc2cccnc2)cc1S(=O)(=O)NCC#N 524680156 MVDNBDIDHNLFKI-UHFFFAOYSA-N 415.475 0.628 30 20 HCED C[C@H]1[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 540052848 LEONWBAWZQEGLX-IRXDYDNUSA-N 419.551 0.416 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCOc2ccccc2Cl)CC1 550461423 JZJVLOODFAFBNW-UHFFFAOYSA-N 408.886 0.281 30 20 HCED COCCN(C)CCN1C[C@@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1=O 552106010 RQFQIWODGBSMCJ-INIZCTEOSA-N 417.510 0.504 30 20 HCED Cc1c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)nnn1CCOc1ccc(F)cc1 555924128 WODJKALNJXUAIC-OAHLLOKOSA-N 402.386 0.494 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 559847164 PACZWACAQYKCEQ-UHFFFAOYSA-N 422.511 0.403 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cnccc2C#N)CC1 561428496 AKYFLGIMTZODAG-HNNXBMFYSA-N 424.486 0.841 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 561952872 VEWHAPUJKPCSOT-LNMJFAINSA-N 423.469 0.791 30 20 HCED Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NCCc3cccc(C#N)c3)ccc21 573747500 HEDLTAMGYAXNIV-UHFFFAOYSA-N 406.446 1.221 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)nc1 576197038 SGSBPWKKBUWKIJ-UHFFFAOYSA-N 403.439 0.719 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 577554669 BSNWXIGNLMSRDT-INIZCTEOSA-N 423.452 0.531 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 578069954 XDYNXNIADGELTN-HZPDHXFCSA-N 408.480 0.926 30 20 HCED CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 588766959 QXQFJGDHLFWRJL-IBGZPJMESA-N 404.474 0.905 30 20 HCED Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1C#N 589031964 RKGCCWPULGQIFK-AWEZNQCLSA-N 407.496 0.582 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nnnn1-c1ccccc1 610684051 XTXIQPQSOPBFIC-AWEZNQCLSA-N 404.438 0.744 30 20 HCED C[C@@]1(C#N)CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 612165501 NPYPUGNRDUELEN-FQEVSTJZSA-N 420.535 0.949 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCC[C@](C)(C#N)C2)cc1 612367244 CHXJFZJWWAKCRE-UCLAIMLFSA-N 407.492 0.971 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC2CCN(CC(F)F)CC2)cn1 613099409 XLGYOXQUNVAGSZ-UHFFFAOYSA-N 403.393 0.923 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)c1 619730457 PWEHGPZBZMEJNJ-CYBMUJFWSA-N 407.430 0.850 30 20 HCED C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 619878783 ADOKAWDAGXCROW-PBHICJAKSA-N 401.467 0.037 30 20 HCED C#CCNC(=O)C1CCN(CN2C(=O)N[C@](C)(Cc3ccc(OC)cc3)C2=O)CC1 730250609 CXBBWLLHEKMKOH-JOCHJYFZSA-N 412.490 0.967 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 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0.410 30 20 HCED C#CCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 765419357 OGXJJDFIHGHTKE-UHFFFAOYSA-N 408.476 0.724 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)Cc1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 766908649 CKPGANVWYSYIHL-LBPRGKRZSA-N 422.488 0.545 30 20 HCED COC(=O)C[C@]1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCOC1 771657785 WDKKBWZDMRNEDZ-SCLBCKFNSA-N 409.464 0.454 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCCc3[nH]c4ccc(F)cc4c32)c(=O)n(C)c1=O 771891006 QTRQUBWDMLSGQE-UHFFFAOYSA-N 419.438 0.723 30 20 HCED C[C@H]1CCCC[C@@H]1N1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 771896558 CFABQQWYKXQDTH-ZFWWWQNUSA-N 411.528 0.393 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1)[C@H]1CCCO1 773794975 JYFTXRVQGRJOFG-GOEBONIOSA-N 409.439 0.601 30 20 HCED N#C[C@H](C(=O)c1cnc(Oc2ccccc2)cn1)C(=O)N1CCS(=O)(=O)CC1 773799592 XLABKNDXOZBMEN-CQSZACIVSA-N 400.416 0.848 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O 778963978 KJIIWADIHRPUGF-QWHCGFSZSA-N 408.455 0.725 30 20 HCED 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HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1=O 726043754 RFGYWSVHDGGUQW-TZMCWYRMSA-N 415.402 0.535 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726671610 VUOYKFIEYJHCJL-UHFFFAOYSA-N 420.447 0.194 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 728039406 IXRDZZHUNVEIHL-UHFFFAOYSA-N 423.416 0.755 30 20 HCED C#CCNC(=O)c1ccccc1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 728503947 GHNBCZVAOJEGFB-UHFFFAOYSA-N 413.415 0.198 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 728570508 DEYRXKVJSGPMNA-KRWDZBQOSA-N 411.506 0.507 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)CC2)c1 730541563 MZAOJXKPCXHVAI-UHFFFAOYSA-N 405.418 0.820 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 731127304 BOSQCBLBADXPEN-HXUWFJFHSA-N 403.504 0.961 30 20 HCED CN(C)C(=O)COc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732421241 XZSHRTGWHRUMAK-ZCXUNETKSA-N 401.423 0.802 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3noc(C)n3)CC2)ccc1F 732766401 IUGSRDCTWBYRFT-UHFFFAOYSA-N 423.470 0.939 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 737225295 LDDBZNZTLMACAJ-UHFFFAOYSA-N 417.871 0.523 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC3CCN(CC#N)CC3)C2=O)cc1 742186376 IPMUHFQVFKSKDT-NRFANRHFSA-N 413.478 0.814 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 744026994 DLGRWYQINXKURU-XABWRGDLSA-N 411.414 0.895 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(C3CCOCC3)C2=O)cc1 746941080 JIKGQINNDIQYCJ-QGZVFWFLSA-N 406.460 0.535 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)CC1 748310858 TYOPGRWTTCQERY-FQEVSTJZSA-N 410.490 0.619 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(S(=O)(=O)c3ccccc3)CC2)CC1 748813116 INFJENWAXGHOAU-UHFFFAOYSA-N 404.536 0.160 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750366448 LKBQWDBIGWIBPT-FQEVSTJZSA-N 400.435 0.529 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753754879 HILCSFLRFKDBLN-ZDUSSCGKSA-N 415.537 0.785 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)c(F)c2)c1=O 758068145 MBWUWRPXMHXMII-UHFFFAOYSA-N 413.474 0.966 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 758083141 JQQHXTCMOVHRKQ-UHFFFAOYSA-N 410.455 0.726 30 20 HCED O=C(NC1CC1)N[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 761026140 RUEKPVYGZYHHFW-AWEZNQCLSA-N 419.507 0.568 30 20 HCED C[C@H]1CN(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 767676306 AOKMZWYDKHCWHG-MJBXVCDLSA-N 409.464 0.404 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769647381 MZWZAYDZAULHAQ-UHFFFAOYSA-N 423.542 0.699 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOCC)c2=O)cn1 772301854 DMHDIPDTOXHPJY-UHFFFAOYSA-N 413.503 0.369 30 20 HCED N#C[C@H]1CN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCO1 772754842 LNHCVZAJGRMRJS-GFKDLEGOSA-N 401.448 0.458 30 20 HCED N#C[C@H](C(=O)c1ccc(OCC(F)(F)F)cn1)C(=O)N1CCS(=O)(=O)CC1 774093059 DPUBFPBMKMKVNY-LLVKDONJSA-N 405.354 0.602 30 20 HCED CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1cnn(CC)c1 774286784 CBJVQBHJXSXQRB-CQSZACIVSA-N 406.512 0.982 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@@H](COC)OC)C1=O 781104165 NOEQLPCENPSVSV-UONOGXRCSA-N 408.480 0.515 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 782988087 VCEIOKDNIJBDQJ-UHFFFAOYSA-N 424.566 0.862 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(COCCOCC)c1)[C@@H]1CCS(=O)(=O)C1 783474795 JOJDYNCFYPRHHZ-GOSISDBHSA-N 422.503 0.827 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 787752747 AVIQZELUVHCPLZ-UHFFFAOYSA-N 401.448 0.071 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 789110574 MUCYTOOUUHPMIK-AUUYWEPGSA-N 414.418 0.243 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCCCC1 793701832 PHTJHILQTAGRHH-QFBILLFUSA-N 411.506 0.766 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)S(=O)(=O)[C@H](C)C2)ccc1F 794162511 SSENTEZAVUOFPR-TXEJJXNPSA-N 404.485 0.938 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2sc(C(=O)O)cc2Br)n1 794840585 JECJVYBTXJNRTR-UHFFFAOYSA-N 406.243 0.650 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 796276602 YWWIMBGUNGWJJO-INIZCTEOSA-N 412.424 0.471 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798565599 DLMBSQNVMOTUBD-MRXNPFEDSA-N 408.476 0.960 30 20 HCED C#CCC[C@H](O)CNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 799220506 LSVLRILEUXJKHX-AWEZNQCLSA-N 401.423 0.075 30 20 HCED C#CCC[C@H](O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 801699336 FZURVXMCMGYFGL-JTQLQIEISA-N 410.311 0.905 30 20 HCED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 802323659 LKNLMVOQMOVHQD-HLAUDOPJSA-N 420.491 0.776 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cc1 804053236 IVRXNPBUCMGMPS-PMACEKPBSA-N 411.506 0.182 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCCCOc2c(OC)cccc2OC)CC1 808741323 DKBFEKCUKJRJER-UHFFFAOYSA-N 411.524 0.948 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1)[C@H]1CCCO1 809307118 YXDFVMHQDBIFGY-RBUKOAKNSA-N 418.538 0.076 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1)[C@@H]1CCCO1 809309584 GLJVUWQZXPJIFD-MOPGFXCFSA-N 413.474 0.553 30 20 HCED CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 813713330 GBAWUTCBUJEPQA-MGPQQGTHSA-N 415.516 0.421 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1ccc2c(c1)NC(=O)CNC2=O 816033709 YAGWJECBUOQGDA-UHFFFAOYSA-N 402.363 0.498 30 20 HCED CON=Cc1ccc(C(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 874464962 AMDPABGSEFFVRP-KRWDZBQOSA-N 423.491 0.155 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)c1 916808762 LMNBMJWXCNSNFJ-UHFFFAOYSA-N 424.438 0.435 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 916889459 SNFDRYUDCBDGFL-HNNXBMFYSA-N 409.464 0.101 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)ccc1F 918000133 VOAHGHMGVVFGOU-LBPRGKRZSA-N 402.400 0.125 30 20 HCED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)nn1 1000523093 JGOMBLMZFQBASR-NMNMXBMNSA-N 400.483 0.618 30 20 HCED C=C[C@@H](COC)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1116619727 VPDUYJMQARMWIC-AWEZNQCLSA-N 410.496 0.895 30 20 HCED COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1301299478 WARQVKBSYLJMPS-OAHLLOKOSA-N 404.496 0.839 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1314924044 RARDXWHJQFWRDZ-SFTDATJTSA-N 409.494 0.585 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(OCC)cc1 1317759147 LBQUEBTYOZYAHL-LBPRGKRZSA-N 413.452 0.307 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2=O)cc1 1323144550 ALOYOUMPULQMDW-INIZCTEOSA-N 422.445 0.605 30 20 HCED COc1ccc(CC(=O)O)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1325442305 PREPTOFBJWKFNZ-UHFFFAOYSA-N 411.480 0.559 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NCCN3CCN(c4ncccn4)CC3)CC2=O)cc1 1332496142 ARDIUEOJAQDPNN-SFHVURJKSA-N 419.489 0.640 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN([C@H]3CCOC3=O)CC2)cc1 1446608534 ZSGQRUOVMUMCBE-KRWDZBQOSA-N 405.476 0.369 30 20 HCED CC[C@@H](CC#N)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1460214797 VBWFVLURZJCKOD-AWEZNQCLSA-N 410.496 0.936 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1541116580 QWFWUQFKVAEFFF-IXDOHACOSA-N 424.571 0.744 30 20 HCED COc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@](O)(CC#N)C3)C2=O)c(OC)c1 1564723927 KNHJNQSYSMAGHG-JXFKEZNVSA-N 402.451 0.865 30 20 HCED CN(C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1565679243 IWDMTKGVLACTGG-ZDUSSCGKSA-N 405.455 0.926 30 20 HCED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1616213605 KCBRGKMMQCBTFO-OALUTQOASA-N 406.462 0.898 30 20 HCED CN1C(=O)COc2cccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c21 1641819721 JNKGHJQKMOVLQO-UHFFFAOYSA-N 400.416 0.830 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c(=O)n1C 1656778677 JRCYSXASFLRERW-UHFFFAOYSA-N 415.881 0.725 30 20 HCED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 1664055821 WWUWGIBPIIXZJM-UHFFFAOYSA-N 406.917 0.761 30 20 HCED CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1710187178 NJACGUOUTUNLQV-WMLDXEAASA-N 407.475 0.887 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCOCC1 1712454860 LJWLLQKPYODBQE-CVEARBPZSA-N 405.503 0.316 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749269076 MKDBHOFJYMLZAF-VXGBXAGGSA-N 400.892 0.147 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cnn(C)c1 1751207857 RIGJGOJHPZQMCZ-ZDUSSCGKSA-N 406.516 0.800 30 20 HCED CC(C)(O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760814959 HNYIPPVMFLGYNJ-INIZCTEOSA-N 401.515 0.852 30 20 HCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 1761364572 RBYGPLRESSBHHD-CQSZACIVSA-N 424.527 0.079 30 20 HCED CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1766869479 ZQXHAEMTWVTKDO-UHFFFAOYSA-N 411.466 0.533 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC)C1 1767847990 WGPLKEKEVGGQNB-INIZCTEOSA-N 404.496 0.981 30 20 HCED 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SFLCGSIOCNXZDG-UHFFFAOYSA-N 405.418 0.847 30 20 HCED N#C[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1cccc(Br)c1 464801049 CQXGMDMUOKYSBQ-LBPRGKRZSA-N 402.270 0.868 30 20 HCED CNC(=O)[C@H](NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 464859960 YOEKXZUDJJRQBG-HNAYVOBHSA-N 407.478 0.462 30 20 HCED CNC(=O)COc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 465264269 FUUQWFJVNCESTK-AWEZNQCLSA-N 424.461 0.833 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 465390308 ZJJNLQHGPUVXMT-FZKQIMNGSA-N 406.464 0.259 30 20 HCED N#C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C[C@]12C(=O)Nc1ccccc12 468947308 KJRXQRWAITTYLO-FPTDNZKUSA-N 416.441 0.503 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C#N)ccc1Cl 475564260 JNIBAXLENDNYQL-LLVKDONJSA-N 405.885 0.135 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@@H](C)[S@](C)=O)cc1 484552112 LNIOHDYAPFCDPZ-SRGMZFCMSA-N 415.537 0.705 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 487136211 NLRFZSAFXWKVJI-QWHCGFSZSA-N 424.479 0.065 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1 491646665 FGAGPWXVBKXGAD-SFHVURJKSA-N 407.430 0.890 30 20 HCED CC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](O)C(F)(F)F 498498948 HAIQHOGRQFLRJT-QWHCGFSZSA-N 410.356 0.955 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@@H](C)C(=O)NC[C@H]1CCCO1 507535778 OHLCGVKCDJHXCG-UONOGXRCSA-N 405.480 0.984 30 20 HCED CN(CC(=O)N1CCC[C@@H](c2nnc(O)o2)C1)S(=O)(=O)c1ccc(C#N)cc1 507905058 MGHXUAJMJIYURH-CYBMUJFWSA-N 405.436 0.674 30 20 HCED CS(=O)(=O)NCC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 510436205 PFMMCXFCWKYFDH-UHFFFAOYSA-N 402.454 0.416 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O 531755314 GUWSMSYSKRBITG-UHFFFAOYSA-N 423.416 0.931 30 20 HCED Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)n(CCC#N)n1 533459127 HZSSBRFZKLARDM-UHFFFAOYSA-N 404.452 0.138 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2cccc(C(F)(F)F)n2)C1=O 533969751 YSWODDGBNDCQES-UHFFFAOYSA-N 400.313 0.572 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)n1 537002014 PZQRPXGWADLJLF-CYBMUJFWSA-N 422.453 0.449 30 20 HCED COc1ccc(CCNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 537724351 STLCYTGAYPSDAB-UHFFFAOYSA-N 416.459 0.303 30 20 HCED CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 553355218 ZPEIJZLVIBHRCT-MRXNPFEDSA-N 401.515 0.239 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 581225108 AJPGIUBZFJOAIY-LJQANCHMSA-N 421.457 0.876 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 603985745 BXQNGBNTVWDWRH-UHFFFAOYSA-N 423.494 0.393 30 20 HCED COCCN(CCC#N)CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 610392350 ZIDYCVRYHAQYSH-UHFFFAOYSA-N 410.496 0.508 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1)c1nn[nH]n1 610859176 IKGWIFGZGGEQGP-MLGOLLRUSA-N 411.447 0.644 30 20 HCED C[C@@]1(C#N)CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 612164815 GRVJNHNZWVKHQU-FQEVSTJZSA-N 420.535 0.949 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cn2)cc1 615403353 LVFCQSGFPZUJLX-KRWDZBQOSA-N 423.429 0.784 30 20 HCED C=CCC[C@@H](NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 671359316 PLEHOKJVSDMOKZ-GOSISDBHSA-N 422.551 0.504 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(=O)N(C)C 726179900 ZVNZLSOALPNSMD-UHFFFAOYSA-N 415.519 0.240 30 20 HCED CNC(=O)[C@@H](NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1 727010259 SOGWRQSZAHAQQT-IBGZPJMESA-N 408.414 0.435 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 728967550 OWKXLLYYLYAPSC-KYOSRNDESA-N 416.883 0.698 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(F)c2F)c1=O 730802039 WSBFFTGLECVKNK-UHFFFAOYSA-N 407.442 0.862 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCOCC 732796378 DJVNLFLITNAAAN-UHFFFAOYSA-N 415.519 0.529 30 20 HCED N#C[C@@H](C(=O)CC[C@H]1Cc2ccccc2NC1=O)C(=O)N1CCS(=O)(=O)CC1 732909680 FHBUFSXSONYZCL-GJZGRUSLSA-N 403.460 0.543 30 20 HCED CN(C)CCCN(CCCN(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 733157232 VYGNGAGYUNXALY-UHFFFAOYSA-N 409.556 0.457 30 20 HCED C[C@H](OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)N(C)CCC#N 744759980 PKMWPLLOEXRHFD-LXZKKBNFSA-N 405.426 0.634 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC2(C(N)=O)CCCC2)CC1 746475510 NPMIZBMWAZODJY-UHFFFAOYSA-N 412.450 0.843 30 20 HCED COCCCS(=O)(=O)NCCOC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 746967534 UHRFHTGBMRGSBS-UHFFFAOYSA-N 407.452 0.439 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1c(O)nc2ccccc21 752053834 DPOWVVBNYAUVQA-UHFFFAOYSA-N 413.459 0.987 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ncccc2F)C1 755576253 MGHYOVSUTQKRKW-LBPRGKRZSA-N 403.439 0.654 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2nccc3ccccc23)c1=O 758054168 XWAQSTWPCUVYTM-UHFFFAOYSA-N 418.478 0.357 30 20 HCED CC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 764283150 HLWNFXWECPXKNB-VDVBZYJVSA-N 410.496 0.715 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 764939879 OZLMTDPTDPEIRD-AWEZNQCLSA-N 410.455 0.961 30 20 HCED C#C[C@H](C)NS(=O)(=O)c1cnn(-c2ccc(C)c(S(=O)(=O)N[C@@H](C)C#C)c2)c1 770364113 IKFDPPAABGTWDV-GJZGRUSLSA-N 420.516 0.781 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 771897554 FURFLVWMPRILHD-UHFFFAOYSA-N 415.269 0.549 30 20 HCED Cn1cc(S(=O)(=O)NN=C2C[C@H](OCc3ccccc3)C2(C)C)c(=O)n(C)c1=O 776777069 PXVWBVTZBBUFSQ-INIZCTEOSA-N 420.491 0.734 30 20 HCED COC(=O)N1CCC([C@@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 776811725 CDSDMGBRCJINJA-CQSZACIVSA-N 418.498 0.960 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1 783010567 CIYBEGTVXQRCMK-AWEZNQCLSA-N 403.501 0.030 30 20 HCED C#CCN(C(=O)C(=O)Nc1nn(-c2ccccc2)cc1C)[C@@H]1CCS(=O)(=O)C1 783482017 TXUFLNYLYYMENF-MRXNPFEDSA-N 400.460 0.768 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)CC2CC2)c1 783913889 PMFDFAKKBLLDPF-FXBPSFAMSA-N 422.507 0.669 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(Cc2ccccn2)CC1 787142702 CBVRBRFVWUQDSQ-UHFFFAOYSA-N 407.478 0.657 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787624341 AECSMBSCLOWZBM-CYBMUJFWSA-N 409.464 0.719 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1cc[nH]n1 787685871 RPWMLXHZTUBJGW-CQSZACIVSA-N 407.471 0.405 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3occc3c2)c1=O 795197327 LDHUXQPXMOXIOS-UHFFFAOYSA-N 421.478 0.945 30 20 HCED Cn1cc(-c2cc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)on2)cn1 795327611 QCTUUFSYAMMQRE-UHFFFAOYSA-N 401.404 0.968 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 796569499 CTLAGZFRXYBCIK-QGZVFWFLSA-N 424.519 0.935 30 20 HCED C=CCN1CC[C@H](OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798567271 XKDOKMWITWQCNI-HNNXBMFYSA-N 412.439 0.790 30 20 HCED C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 798799817 DYXGNRBIPIORTH-UHFFFAOYSA-N 407.448 0.324 30 20 HCED N#CCN1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 801160660 LSEVYWGNDNRXED-UHFFFAOYSA-N 424.498 0.812 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c(F)c1 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30 20 HCED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)N1CCOCC1)C2 1781742192 NKGZGZNFQDPRNN-GMLUQMLDSA-N 409.527 0.363 30 20 HCED CC(=O)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1781763550 DZBYYRIZAKKVPD-ZYPDDKLUSA-N 404.467 0.349 30 20 HCED CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)ON=C(C)C)C2 1781789596 PJSNTKSVKTXJFT-MXHNKVEKSA-N 410.515 0.826 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCn4cncn4)CCO3)C2)cc1 1781792377 NALDFDFUTCWDKN-NRFANRHFSA-N 408.462 0.878 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)N4CCN(C)CC4)C[C@@H]32)C1 1783464962 MQFCESSKGVGMLM-ZULIPRJHSA-N 404.555 0.568 30 20 HCED C[C@](O)(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21)C(F)(F)F 1784875490 FDEYQZDNVORFKY-GWIFVGGISA-N 414.384 0.793 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)n1ccnn1 1788603878 XHUPZTBPFFTIMS-JDSVAZHKSA-N 417.514 0.291 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 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C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1831435733 XURIGQBKOLJHRE-HRAATJIYSA-N 418.494 0.490 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832499595 VAYQUCFPBQPHPO-JNAXZKDPSA-N 422.503 0.601 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833203395 PYMBJWJTRWKPFE-WIYYLYMNSA-N 402.495 0.779 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc[n+]([O-])c2)CCO3)c1 1833277386 XXHCPXHKDRKVKP-QFIPXVFZSA-N 422.441 0.575 30 20 HCED Cc1c(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cnn1C 1834281122 SKELYSKKTKVYOR-UHFFFAOYSA-N 401.467 0.002 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)Cn4ccccc4=O)CC3)CC2)CC1 1834822897 FVICJDZYEVXTSY-UHFFFAOYSA-N 411.506 0.724 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835363919 FYOUJXURYBGNRX-OXJNMPFZSA-N 402.451 0.609 30 20 HCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1Cl 1836226813 IEESWXAAVGTAHV-LJQANCHMSA-N 421.885 0.999 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1836858272 GNVCGXWHSXMKOL-HNNXBMFYSA-N 418.494 0.776 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837759372 BVOJCUWXJMJHGM-YJYMSZOUSA-N 424.523 0.313 30 20 HCED CN(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1Cl)CCO2 1838595076 FWOOBMDQYZMAPD-FQEVSTJZSA-N 420.897 0.843 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)n1cncn1 1838908661 LUGUPGPAMCIPOO-KKSFZXQISA-N 424.461 0.481 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1839173587 AHOPHQNQOVLHQH-RDTXWAMCSA-N 416.421 0.607 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1839422301 NNGOAOHCTZXCAJ-OAQYLSRUSA-N 415.421 0.746 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519029 QTRIVJALZVZDDQ-FZKQIMNGSA-N 410.496 0.054 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C(F)(F)F)C2)C1 1839808885 ICPIJXXNSGCZAH-INIZCTEOSA-N 400.357 0.142 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840062908 CFIZHSQVHJUNKS-FOIQADDNSA-N 420.466 0.658 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840161038 CIBGHKMNEIPQSW-JIPSRSKRSA-N 415.512 0.290 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1840292716 GCOAJXIUOZOIDK-NRFANRHFSA-N 401.463 0.584 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840608025 CSANEDUARCKALX-GQAKKZBSSA-N 417.462 0.047 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1c(O)cc(O)cc1O)C2 1841055506 AWFDDGMNQSQEFV-PLNGDYQASA-N 401.419 0.479 30 20 HCED CC(C)(C)OC(=O)N1C[C@@](C)(O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623786 CJNWSLILDSYUGF-LIRRHRJNSA-N 406.483 0.864 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1844237229 HRBRKHJWEWVAIB-JKSUJKDBSA-N 410.467 0.258 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1844694816 ICKSHHZHSRTCTB-AGKWGAAGSA-N 402.451 0.731 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NC2(C#N)CCCCC2)cn1C 116501684 UPZDBSCAQZAPIG-UHFFFAOYSA-N 411.484 0.283 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cs1 410160076 RHUFPCMSPUZZCL-NSHDSACASA-N 407.543 0.094 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 429187001 YQGDJOHYMQXHMC-UHFFFAOYSA-N 412.491 0.361 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 430410410 WIHCKEHPWISAMC-KURKYZTESA-N 406.527 0.239 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 434844343 UARLUGDJTOOCFF-RDJZCZTQSA-N 419.551 0.884 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)n1 446037089 XFUUFFLMSOWMJL-UHFFFAOYSA-N 420.424 1.210 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 447762448 DPXYHRRFBBVTIZ-UHFFFAOYSA-N 414.553 0.682 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCCN1CCC(C(N)=O)CC1 462102001 BKLIMPRPHWCKJQ-UHFFFAOYSA-N 424.509 1.546 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cnn(C)c3C)CC2)c1C#N 469867914 YWODWFJCIDFKNL-HNAYVOBHSA-N 424.509 0.510 30 20 HCED N#CCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccccn1 471227656 LEMLPKQIVHUPRO-UHFFFAOYSA-N 401.492 0.804 30 20 HCED Cc1nn(C)c(N2CCN(Cc3cnn([C@]4(C)CCS(=O)(=O)C4)c3)CC2)c1C#N 471817352 TZFNZOKHRQKPFW-LJQANCHMSA-N 417.539 0.653 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cn([C@@H]3CCOC3)nn2)CC1 478062885 RRAGMGRFHYSEHD-OAHLLOKOSA-N 416.463 0.258 30 20 HCED CCOC(=O)c1c(NC(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(C#N)cn1CCOC 480047238 PNQSBSZZJFBXHZ-GXTWGEPZSA-N 424.479 0.834 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC(=O)N2CCN(C)CC2)cc1 480971893 PHUGNDSPGRXXED-AWEZNQCLSA-N 407.496 0.658 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 482204248 GRKYDRRRVKWJBL-NVXWUHKLSA-N 420.535 0.842 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1ccc(C#N)cc1 490377248 SCEDYNAGPIXSMK-CQSZACIVSA-N 411.466 0.248 30 20 HCED N#CC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 490431670 YWGSUHDSYKHLSJ-UHFFFAOYSA-N 406.464 0.408 30 20 HCED N#CC1(F)CCN(S(=O)(=O)CCCS(=O)(=O)N2CCC(F)(C#N)CC2)CC1 510437350 YAJFMRKLQZEDCQ-UHFFFAOYSA-N 424.495 0.691 30 20 HCED N#C[C@H]1CN(C(=O)NCCNC(=O)c2cnccn2)C[C@]12C(=O)Nc1ccccc12 513993012 XGHJHLJAFHNVEU-RBZFPXEDSA-N 405.418 0.261 30 20 HCED COC(=O)c1cnc(O)c(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 515125886 YDYWKNNRPGNVAL-UHFFFAOYSA-N 404.404 0.705 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)N3CCCC3)ccc2OC)C1=O 522245300 FYMTZOFIXRTEMS-UHFFFAOYSA-N 414.418 0.847 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccn3)c2=O)cn1 524232921 SKGARHJGBLFPDH-UHFFFAOYSA-N 419.466 0.479 30 20 HCED COCCN(C(=O)CN(C)CCC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 533485050 HUHOBBNDYVGQBN-UHFFFAOYSA-N 414.466 0.404 30 20 HCED CNS(=O)(=O)c1ccc(CCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 535026407 XPIPFQOPCLFXGL-UHFFFAOYSA-N 404.496 0.795 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c(F)c1 542988344 CDZUCXIWPZYFLK-DTDBQYNISA-N 409.377 0.984 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 543758806 USJQDTBLOWDCMV-UHFFFAOYSA-N 420.495 0.920 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 550906656 XKIKWZIRESMAOF-IEBWSBKVSA-N 401.511 0.547 30 20 HCED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc2NC1=O 551192475 RPGPOUZPRQKWPP-CYBMUJFWSA-N 420.429 0.960 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 552946706 XOROBHSGLLIDIF-KRWDZBQOSA-N 407.492 0.569 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 554534812 KJOSUBHNHUKDEU-LJQANCHMSA-N 409.556 0.672 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 556409233 AAZCHYMOHNHVSE-AWEZNQCLSA-N 409.464 0.415 30 20 HCED N#Cc1ncn(CCNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1 560756094 LUZGIURPKKHYBW-UHFFFAOYSA-N 416.507 0.903 30 20 HCED CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCC(=O)NCC#N 561471605 VJUXEUSBRCZLGG-OAHLLOKOSA-N 420.267 0.734 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 563574533 FLJBNGYXJGQWAQ-UHFFFAOYSA-N 409.450 0.794 30 20 HCED CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 565622913 VZYVNBQVJGEAHP-YOEHRIQHSA-N 414.462 0.575 30 20 HCED Cn1cc(C#N)c(=O)n(Cc2cc(I)cc([N+](=O)[O-])c2)c1=O 566589777 LLAQRCOJUKIQIF-UHFFFAOYSA-N 412.143 0.980 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@H]2COc3ccccc32)CC1 566941103 MVSBCCRGESILQM-NVXWUHKLSA-N 400.479 0.114 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 578168949 GSPGPNREJOSGFJ-UHFFFAOYSA-N 403.479 0.811 30 20 HCED COc1ccc(C)cc1CN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588125394 AOWLFFLSHQJUMY-UHFFFAOYSA-N 413.522 0.752 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2nc(C)no2)cc1 606123020 FUJLBWYFEAZZAJ-UHFFFAOYSA-N 421.479 0.872 30 20 HCED CCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 609094325 GEZBUWPKLNSODH-HNNXBMFYSA-N 413.521 0.918 30 20 HCED C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C(=O)N1c1cnn(C)c1 610309104 YASAVRCAEICJOD-YVEFUNNKSA-N 404.434 0.983 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCc3sccc3C2)C1=O 726043088 RGMIHVXGWWRXDQ-LLVKDONJSA-N 405.432 0.541 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 728536081 IOQSDGXGIDZIHC-HNNXBMFYSA-N 420.510 0.780 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 743889004 BXZFYVJCKVYASP-HNNXBMFYSA-N 418.469 0.835 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCN2C(=O)NC3(CCCC3)C2=O)c1 744602111 XVBBPULIURVKDV-UHFFFAOYSA-N 419.459 0.620 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1=O 751669025 XPCPBEBUKDHQCR-AMVBZWJASA-N 415.427 0.431 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1(CS(C)(=O)=O)CCC1 753389448 SKKBAHNQUADMFM-ZDUSSCGKSA-N 414.505 0.983 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)CC1 754081430 GHXTVOYHBVYYGQ-OAHLLOKOSA-N 401.916 0.473 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)sc2C)CC1 756169322 GTJQFNDSJKSCTG-UHFFFAOYSA-N 420.354 0.875 30 20 HCED COCC(=O)N(C)CC(=O)[C@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 759218371 XYOMEBJBSRKXTC-JTQLQIEISA-N 406.351 0.118 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1 763483238 LGXXMQWBMWURMS-CRYYWNKWSA-N 420.516 0.277 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 764031658 FNLLNZLTCOPOFE-GFCCVEGCSA-N 420.447 0.995 30 20 HCED COc1ccc(CN2CCCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2=O)cc1 768363381 XVXHHLZVHCAELA-UHFFFAOYSA-N 410.434 0.615 30 20 HCED C#C[C@H](C)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 769655956 NLQKCMFMYXELQD-HNNXBMFYSA-N 409.483 0.919 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)cc2C(=O)NC)C1=O 771464257 UTCNWZZLYVLYJM-UHFFFAOYSA-N 423.223 0.724 30 20 HCED CN(C)C(=O)[C@H]1CN(C(=O)C(F)(F)C(F)F)CCN1C(=O)C(F)(F)C(F)F 771558407 CHIGWBYDPBOEOB-ZCFIWIBFSA-N 413.265 0.915 30 20 HCED 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C[C@@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1826015896 VHFIAMCRIMNENI-HTQZYQBOSA-N 419.492 0.418 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)CC1 1826680367 CYEYOPSKSCNSQC-OAHLLOKOSA-N 424.465 0.350 30 20 HCED N#CC1(C(=O)N2CCC([C@H]3CCCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1827047959 VXPBSCPDSIAHCJ-MRXNPFEDSA-N 423.477 0.955 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)cc1 1829901499 FLEBSXFYASFMMB-QFIPXVFZSA-N 423.473 0.523 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2)n1cccc1C=O 1830056104 MIIAREDYMDLNOQ-IERDGZPVSA-N 416.478 0.868 30 20 HCED CC(C)N[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(C)C 1831212870 ICMWKFDOIDEXEY-UNMCSNQZSA-N 405.539 0.879 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccccn3)C2)C1 1831388597 ZOWIRCGENALCOV-GCJKJVERSA-N 415.490 0.509 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)c(O)c3)C2)C1 1831398779 KTMOLJOHHVLGBX-VGSWGCGISA-N 416.474 0.809 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CC3(F)F)C2)C1 1831401614 CVXAERUYIOWYJY-OLMNPRSZSA-N 400.422 0.526 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1noc(C)n1)CCO2 1832930322 CHWAEIURWXROMZ-HXUWFJFHSA-N 404.467 0.571 30 20 HCED CC(=O)Nc1ccccc1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767207 AUPSGSGHUPYQAW-FQEVSTJZSA-N 400.435 0.629 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC)CCO2)C1 1834819715 JXAOYCJWKRMFLH-HRAATJIYSA-N 423.510 0.769 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835686631 JNIHEBDWHZAJBK-HRAATJIYSA-N 413.478 0.642 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1837405726 ZRCSTOZIDXSMAO-WWMYMODYSA-N 410.511 0.443 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1839226823 FFXMFTSNWXOYFN-MGPUTAFESA-N 423.466 0.643 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770057 BJGJRBHCSXKVME-MJUDJVQXSA-N 413.446 0.330 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1840166048 SELMFZSJDLDGDV-VCBZYWHSSA-N 409.508 0.624 30 20 HCED CC#C[C@@H](CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN)C2)C1)c1ccc(O)cc1 1840219803 HQZJQMCZPANOBS-AVRDEDQJSA-N 415.490 0.304 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccnn2CCOC)C1 1843508302 TWPSFPQDROLJDR-WAYWQWQTSA-N 401.467 0.205 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)CC1 1844314512 SDFIUUTURQNTRT-WSDLNYQXSA-N 415.494 0.066 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1 31078207 PARWGWCEDFDYOT-UHFFFAOYSA-N 420.385 0.806 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccc(OC)cc2)C(C)C)CC1 53309545 XCLAKFAKIBEJDH-HXUWFJFHSA-N 416.522 0.896 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 60619603 JFDANWGOUKYBLM-UHFFFAOYSA-N 419.441 0.694 30 20 HCED C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C1CCCC1)n1cnc(C#N)n1 409990431 BZAACERCFHZHGK-NFAWXSAZSA-N 424.469 0.226 30 20 HCED C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)Nc3ccn(CCC#N)n3)c2)CCO1 444506553 KXGKVONNEZBDPM-INIZCTEOSA-N 410.478 1.272 30 20 HCED CN(C[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CCO1)c1nccn(C)c1=O 466819594 PGRPNOVQQQSOOT-GOSISDBHSA-N 410.478 0.741 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 467285293 CSQAAJJOJGVXAQ-UHFFFAOYSA-N 417.857 0.112 30 20 HCED N#Cc1cccc(CCNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c1 467764735 ALTSZZZRPCBUFH-UHFFFAOYSA-N 400.416 0.472 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c([N+](=O)[O-])n1 472211631 KBGTYNIKCSVDOI-UHFFFAOYSA-N 408.444 0.236 30 20 HCED C[C@H]1N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1(C)C 476994532 VEOPXHOSDASKPY-MRXNPFEDSA-N 420.535 0.890 30 20 HCED NS(=O)(=O)CCCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 479244430 BLHFEYZVCXAVCO-UHFFFAOYSA-N 400.460 0.605 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cnccn2)CC1 480105548 BMTVNKRASGDSOD-CQSZACIVSA-N 400.464 0.364 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OC)cc2)c1=O 480290851 OBOJUJKCITUPCJ-INIZCTEOSA-N 413.499 0.737 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1 482811456 LUUCUIHULJEIID-UONOGXRCSA-N 407.496 0.368 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 487411832 IFKCIGNYPFZGBN-DLBZAZTESA-N 423.477 0.711 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(C(=O)OC)c2ccc(F)cc2)C1=O 487580278 BGHJIOCPBVFZBZ-LJQANCHMSA-N 405.382 0.349 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)[nH]1 488121465 MUZYWJMHWSKZLB-UHFFFAOYSA-N 415.431 0.364 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2C)CC1 489101222 LMGRUFOWVPKEQU-UHFFFAOYSA-N 400.479 0.253 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nnc2n1CCCC2 497683547 GUJZRGKHYZZCSF-AWEZNQCLSA-N 416.507 0.902 30 20 HCED CCC1CCC2(CC1)NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 499335392 CZIDTVSMLSCPJP-UHFFFAOYSA-N 419.526 0.952 30 20 HCED COCCN(CC(=O)N(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504690455 OXYIWBLJWXQQAZ-MRXNPFEDSA-N 415.450 0.326 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)ccc1F 504730429 BIQUZGLVCJDOKB-OAHLLOKOSA-N 424.454 0.289 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@]4(CCCOC4)C3)n2)cc1 506213433 CAFSXRRRCTZDGQ-HXUWFJFHSA-N 410.434 0.545 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)cc1 508268493 QZHYZSPEZNKAIS-MRXNPFEDSA-N 422.507 0.471 30 20 HCED C[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 510230417 UJCCGLWMCUKEHM-CVEARBPZSA-N 408.462 0.969 30 20 HCED Cc1ccc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1S(=O)(=O)NCC#N 518216060 FUKPTHSVHWXYRL-UHFFFAOYSA-N 422.488 0.838 30 20 HCED N#Cc1ccc(OCC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 518416561 QSVHLOLLXWKGQS-SFHVURJKSA-N 421.519 0.675 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 523607524 GGHUKOHNJYYYPM-SJLPKXTDSA-N 420.535 0.890 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(N)=O 527030331 FAYHKFKYSMTHRI-UHFFFAOYSA-N 419.528 0.974 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CCNS(C)(=O)=O)c(C#N)c2N)cc1 531461537 UNELHPQSSIEGDD-UHFFFAOYSA-N 404.496 0.623 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c(OC)ccnc23)CC1 534327848 MRVNQCTTZHNZEP-UHFFFAOYSA-N 411.462 0.628 30 20 HCED CCN(CC)C(=O)CN1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 539197756 ROHZGQXHJQBMJJ-FQEVSTJZSA-N 420.602 0.555 30 20 HCED COC(=O)[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539450547 OPRXHPJGNFZOFP-ZWKOTPCHSA-N 404.442 0.408 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cn1 547306751 WUZYSQARNGFRPI-GFCCVEGCSA-N 407.356 0.830 30 20 HCED COC(=O)[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 547742738 HKCKETVZIWNJRB-SFHVURJKSA-N 422.507 0.178 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)cc1 550269898 VQHVADNWZJMUDV-UHFFFAOYSA-N 400.479 0.767 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 551370223 GMJPZHJPCCFCOU-RLFYNMQTSA-N 421.505 1.575 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCN(C4CC4)C3)C2=O)cc1 559900515 KWVKOZLTWPSKRC-PKOBYXMFSA-N 409.490 0.376 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nnc4c3CCCC4)CC2)cc1 561113880 KOGLKJDTTVAICG-UHFFFAOYSA-N 414.491 0.562 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 563829448 GVULURWUTNANNH-HXUWFJFHSA-N 413.522 0.429 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)c1C#N 565802636 FXURVMVTLUZMBM-UHFFFAOYSA-N 412.422 0.629 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 575335683 IBCSLTWXKFINLX-QGZVFWFLSA-N 422.441 0.806 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 590419553 DZZWNMYEENQPSY-CYBMUJFWSA-N 404.496 0.703 30 20 HCED COCCNS(=O)(=O)c1cccc(CNC(=O)NC2CCN(CC#N)CC2)c1 609805890 YYOCHOFMGJTFFC-UHFFFAOYSA-N 409.512 0.398 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 609954242 YCWWFJRPDNCJRT-UHFFFAOYSA-N 406.446 0.747 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 610928731 ASQYPCVBHOGWQD-UHFFFAOYSA-N 424.935 0.385 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 613156678 CTALBJMBLWFKEP-ORAYPTAESA-N 408.422 0.981 30 20 HCED Cc1nc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c(C(=O)NCCO)n1C 617886546 OCCNUIPUJDQPNN-UHFFFAOYSA-N 408.422 0.343 30 20 HCED COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 619507703 DQTRXCRMCULPGE-UHFFFAOYSA-N 408.396 0.836 30 20 HCED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669810677 XMTMISNUWXMKTR-AWEZNQCLSA-N 403.487 0.855 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)C1=O 726044041 ZQYUTGRQNFWAGH-UHFFFAOYSA-N 415.189 0.847 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1 728532787 JTUHLFYEFLHYEJ-UHFFFAOYSA-N 416.485 0.987 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)CC1 731343666 DLIZOWHGBMBBDU-UHFFFAOYSA-N 417.473 0.631 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(c3cnn(C)c3)C2=O)cc1 732319948 USWWUDUZFMMBFD-INIZCTEOSA-N 404.448 0.847 30 20 HCED CNC(=O)CCOc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732434127 WSIYRGOFQFZCPG-ISLYRVAYSA-N 401.423 0.849 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)cn1 732795548 MFZGRGXLTXIKIM-UHFFFAOYSA-N 403.533 0.303 30 20 HCED CC(=O)N(CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)Cc1ccccc1 732910122 MNJNLHWDCATDEN-QGZVFWFLSA-N 405.476 0.391 30 20 HCED COCCn1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 732910929 WFZJGMREPVMYFX-HNNXBMFYSA-N 403.460 0.867 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 740518908 SNFMZOUXQIQFAZ-UHFFFAOYSA-N 411.505 0.557 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 743905304 RYWBZTHIMOWHKV-KRWDZBQOSA-N 418.469 0.835 30 20 HCED C[C@H](CC(=O)N1CCN(c2cnn(C)c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 746349289 ACEFBKTTZPOIPT-CQSZACIVSA-N 416.507 0.586 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cn1 746378169 PLKCEPSQCNBJGX-ZDUSSCGKSA-N 411.340 0.920 30 20 HCED N#CCSc1ccccc1NC(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1 748427309 NVLTUBVFLQFLJS-UHFFFAOYSA-N 409.449 0.328 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@](C)(O)C2)c1 749774214 OKMOVIBUGCNHRD-BAOGPQIGSA-N 408.480 0.421 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(S(=O)(=O)N(C)C)ccc2OC(C)C)CC1 754308219 OIELHQSVMAGQAO-UHFFFAOYSA-N 422.551 0.913 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(N)=O)C2)c1 754778449 DCCWCXXHACHTCP-SNVBAGLBSA-N 415.269 0.916 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(CC)c2)c1=O 758053756 VSJDKDCTYWHOPX-UHFFFAOYSA-N 404.455 0.296 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 758070916 IUFNQHAVDDJUFT-UHFFFAOYSA-N 423.494 0.350 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 758604921 OMCLTUCIQIFZTN-MELADBBJSA-N 415.516 0.326 30 20 HCED CCNC(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758777722 PHVZPTVLWSQFEF-CABCVRRESA-N 408.503 0.209 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 761030321 GHANQDCFFRMCMW-AWEZNQCLSA-N 409.468 0.315 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CCS(=O)(=O)C1 762749234 FSCUKMSFHLXURQ-AWEZNQCLSA-N 411.480 0.930 30 20 HCED Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 764315227 VUZWIZSVPQQEGX-IRXDYDNUSA-N 420.535 0.865 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(=O)N(C)C)c2=O)cn1 772303348 OYLNKEYEPLXBBX-CYBMUJFWSA-N 413.503 0.413 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCNC1=O 774179173 RQOKIDIIYUEMNE-ZFWWWQNUSA-N 406.508 0.926 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CCO)CC2)c1 778990709 KBNWYUPWSMBPIV-JWGURIENSA-N 422.507 0.717 30 20 HCED Cc1cc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)ccc1F 780366119 PNKYGCHEURGNQF-UKRRQHHQSA-N 421.450 0.453 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 783050302 NHAWFDOTPUUSLV-UHFFFAOYSA-N 424.523 0.805 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 783348262 VLGSWMOVXZPNEP-UHFFFAOYSA-N 423.491 0.868 30 20 HCED C[C@H](O)C[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 783363349 MHXNVMNTOQFNGN-CJOMHGBRSA-N 410.496 0.714 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)c1 784692669 ZAQFKUVPKMYLOO-SFHVURJKSA-N 407.448 0.519 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CCCN(S(C)(=O)=O)C2)cc1 786491963 VPGRXXJJRIBWTF-AWEZNQCLSA-N 416.521 0.979 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 790325369 MPCWMWKFQBUSBN-IAGOWNOFSA-N 424.542 0.753 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 790856377 BTPSWLCPMSWZDH-GFCCVEGCSA-N 400.457 0.417 30 20 HCED CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 793485315 YGZQGUSQHJEMKZ-UHFFFAOYSA-N 415.475 0.342 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(OC)cc1OC 799287960 VPYAPCURWXEYFV-HNNXBMFYSA-N 400.435 0.778 30 20 HCED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cc(C#N)ccn1 803845618 JXKGYNMIWSUFRT-NSHDSACASA-N 400.416 0.735 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 812967267 VBUQARXKDYTGGI-UHFFFAOYSA-N 420.469 0.885 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1 813713442 JMDGETZOPLSPHV-IHRRRGAJSA-N 400.501 0.822 30 20 HCED COCCN1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 842484454 JQQTUDRLVLQOJF-KRWDZBQOSA-N 422.551 0.930 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 916870050 DNYXYRCXAPCCAK-LBPRGKRZSA-N 417.871 0.997 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 919180828 INTKCFMUTZDYMV-KYJSFNMBSA-N 419.453 0.881 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2nc3c(c(O)nc(=O)n3C)n2C)C1=O 920368634 CFMWCUBDNKOCBH-LJQANCHMSA-N 409.406 0.564 30 20 HCED COc1ccc(NC(=O)CSc2nnc(CC#N)n2C)cc1S(=O)(=O)N(C)C 1256376704 NCHXFHKKHWHACG-UHFFFAOYSA-N 424.508 0.871 30 20 HCED CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1314666510 VYUBIIBARZCVCS-GJZGRUSLSA-N 410.544 0.497 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@H]2CCS(=O)(=O)C2)C1=O 1318565139 UQOCICZSGYJQOY-NWDGAFQWSA-N 412.493 0.345 30 20 HCED CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1318679284 SHVPDMLVRWDIBI-FKEVTRRJSA-N 421.450 0.636 30 20 HCED N#Cc1cn(CCC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(=O)nc1O 1450589215 LBTWXNJCFDRZOV-HXUWFJFHSA-N 400.410 0.803 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1nccc(Oc2cccc(C#N)c2)n1 1458267293 LURQBTJRVWSMQY-AWEZNQCLSA-N 401.448 0.880 30 20 HCED CNC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1517593133 XQXDEWMHWWKHKM-SFHVURJKSA-N 410.417 0.499 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1539804229 SZCAECZXHNVDHN-KGLIPLIRSA-N 419.935 0.979 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)[C@@H]3CCOC3)CC2)cc1 1546305068 QNRKWGBRRBMHRI-SJLPKXTDSA-N 407.492 0.473 30 20 HCED CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@H]1C 1746446341 OWGWPDLQKCZCJA-OAHLLOKOSA-N 417.539 0.896 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3nnc4cc(C)nn4c3C)C2)C1 1777784467 MVJSGRNSDGUORU-OAQYLSRUSA-N 410.478 0.988 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@]3(F)CCCCC3(F)F)C2)C1 1778222900 LXIFDELKRXWRGV-SJORKVTESA-N 402.369 0.822 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCN(C(C)=O)CC3)C2)C1 1778356493 LJCBIEGMNONILZ-LAUBAEHRSA-N 406.527 0.193 30 20 HCED CCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015996 IKWWNFQERQPFLZ-YRXLECQKSA-N 402.499 0.818 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c[nH]c(=O)cn1)C2 1779334152 ZLMOSZGAHLFRKA-GCKMJXCFSA-N 418.494 0.471 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1779684819 BOCKMUUMQPCRHA-VGOFRKELSA-N 423.473 0.749 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)COCCO)C3)c1 1780350973 MTOWHZVVUGTRBL-WIYYLYMNSA-N 401.463 0.695 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781090441 PWGGURLMZQWSDN-SIKLNZKXSA-N 422.570 0.435 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)NC=O)C3)C2)c1 1781248164 SOGQCNKTXDSWEE-JLTOFOAXSA-N 400.435 0.145 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1781270961 QMZZKOPUUQPEKA-OAQYLSRUSA-N 424.494 0.915 30 20 HCED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781298758 SYUFJALYQQGNLV-HXUWFJFHSA-N 412.425 0.810 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3[nH]ncc13)C2 1782010080 JOXLQBDGFNSBCI-DYESRHJHSA-N 410.430 0.778 30 20 HCED Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cn1 1782011112 MWOIOPNCNISPAD-XMSQKQJNSA-N 413.474 0.925 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CCC)NC(C)=O)C1 1783184736 PRDFYZXLJFPJEJ-OSGXGRJZSA-N 421.538 0.843 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1)n1cncn1 1783606421 VAXWFLAHFKFBNO-TTYHFUOFSA-N 422.489 0.933 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1)C(F)(F)F 1783932679 ZVBBSHVOGHJSQS-HZPDHXFCSA-N 408.373 0.551 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784352807 WCWLLLPGQJYNCQ-VPKVUBIPSA-N 416.522 0.918 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)cnc2s1 1786367535 PDPJQRHTMFHYKY-QEJZJMRPSA-N 415.475 0.571 30 20 HCED COC(=O)CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1786423398 CHNUSMCATZRJSH-QSATVQPDSA-N 405.451 0.631 30 20 HCED CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/O[C@@H]4CCCCO4)[C@H]3C2)C1 1788661436 RTAAHHDNNKSGSR-DRJMMIEDSA-N 408.499 0.057 30 20 HCED Cn1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c(C(F)F)n1 1791075644 IRLODYPLHIELAA-GVXVVHGQSA-N 410.377 0.039 30 20 HCED CO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1791325823 BNZHLHCLDQTOGO-WMEZAQDKSA-N 401.463 0.952 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=C)C(F)(F)F)C2 1792490433 VQVLHBOULWRQJA-IEWDVVTQSA-N 401.385 0.553 30 20 HCED 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0.602 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)O3)CCO2)C1 1831572853 ZOCKEKZMSLNLRW-MGPUTAFESA-N 409.483 0.544 30 20 HCED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831628254 NXDYUORFUZXEJC-MAETVRKBSA-N 410.515 0.197 30 20 HCED C=C(C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1)C(F)(F)F 1833171248 ZLFYLDPOFFSKPV-KRWDZBQOSA-N 414.384 0.594 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833520525 ACZBHRWUXPRYRS-YJBOKZPZSA-N 422.570 0.643 30 20 HCED CCn1nccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834278436 ZNMWCLSDCZUJRT-UHFFFAOYSA-N 401.467 0.176 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1834402425 MRJKWJXAIQMZFJ-LPHOPBHVSA-N 415.538 0.873 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1834604086 BXRLKAYLRSMPND-UHFFFAOYSA-N 410.482 0.613 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)c(O)c(Cl)c3)C2)C1 1834765102 IRVBPOHQOUMHRK-SFHVURJKSA-N 409.826 0.735 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835363917 FYOUJXURYBGNRX-JXFKEZNVSA-N 402.451 0.609 30 20 HCED N#CCCC(=O)N1CCC(N2CCC(NC(=O)CCN3CCOC3=O)CC2)CC1 1835451886 AQXVVOPVOJMDQJ-UHFFFAOYSA-N 405.499 0.704 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](O)NC(=O)OCC)CC2)CC1 1835645314 DOCJQJCYDWACSR-KXBFYZLASA-N 424.542 0.835 30 20 HCED NC(=O)CCC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835781753 MRDCWGPTGIIUGB-OEAKJJBVSA-N 417.510 0.536 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1)C(F)(F)F 1836064054 BVNYWQSGJCEFFL-QGZVFWFLSA-N 416.400 0.538 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)n3cncn3)CC2)CC1 1836859697 AZDXZLURENCSIH-IRXDYDNUSA-N 417.510 0.876 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837399259 PJWPOQNOHQKMJO-WWMYMODYSA-N 408.495 0.709 30 20 HCED CN1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440078 BOHIGBCSZGWKPI-OGTJOQQYSA-N 421.542 0.009 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)Nc2cnccn2)CCO3)C1 1837475904 KZKIWDIPDHVHFZ-HRAATJIYSA-N 415.494 0.700 30 20 HCED Cn1nccc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906607 UHLSCGXXYRQDQL-NRFANRHFSA-N 409.446 0.676 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1839174019 ANZMXORCUWRIIC-LJQANCHMSA-N 423.491 0.723 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1839175722 ARUURCTUFRMPRP-UTKZUKDTSA-N 424.494 0.379 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)cc1 1839362396 PNBZVIHIERQPJV-NRFANRHFSA-N 409.446 0.860 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC(c3ccccc3)=NN1)CCO2 1839636141 JLCLTGJQJCUZKC-DENIHFKCSA-N 412.490 0.785 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840161573 UAKARAKVNYQXPA-UGSOOPFHSA-N 410.496 0.054 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)ccn3)C2)C1 1840168291 FVFBPLPFTHDDNG-OAQYLSRUSA-N 401.463 0.964 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)n1cncn1 1840419890 TWGKXYMBIZVAMN-KKSFZXQISA-N 424.461 0.481 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840812333 LTUPAEDCUDIQOA-NRFANRHFSA-N 415.494 0.421 30 20 HCED Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815400 OUFPCXHUMQPLOX-HXUWFJFHSA-N 401.467 0.342 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4snnc4c3)C2)C1 1840843011 OIEBMJZQQBKHHT-IBGZPJMESA-N 415.475 0.570 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2cc(=O)nc4cccnn24)C3)c1 1844796295 FFHRTBFKQLQWMI-UHFFFAOYSA-N 403.402 0.420 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)N1CCN(C)CC1 1845097672 QXWKNRKRWWBFFF-QGZVFWFLSA-N 404.559 0.108 30 20 HCED COCCOCCOCCOCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)C#N 1847349911 ZXVMSOCVAHGWHV-IRXDYDNUSA-N 411.499 0.434 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 14763735 RLBRYPWRLHBMGM-JTQLQIEISA-N 403.844 0.562 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1)C1CC1 23699198 HYSXQKMSFBLGDX-SFTDATJTSA-N 400.527 0.611 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)Sc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 25645557 ZEXHAJWNMIWMTA-UONOGXRCSA-N 424.527 0.786 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N1CCN(C)CC1 54877295 HTFRGARNPFMMND-UHFFFAOYSA-N 401.467 0.564 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nnc4n3CCC4)CC2)cc1 55077891 MRPAXFLHIQOBJV-UHFFFAOYSA-N 415.479 0.312 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CN(CC)c3ccccc3O2)C1=O 115371262 LLDHKPVEXOBAMY-AWEZNQCLSA-N 400.435 0.709 30 20 HCED CN(CCN1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1)Cc1ccccc1 410142238 XPCHHPXBNDRWAN-IBGZPJMESA-N 407.540 0.205 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C1=O 410144454 VJRCPFBKUZLZFX-GUYCJALGSA-N 407.492 0.801 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 439324541 OKAWCDNFTBHGKD-ZIAGYGMSSA-N 406.487 0.366 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 440045274 AJXXONNRTPIPPC-UHFFFAOYSA-N 419.438 0.378 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 441044587 XIJLORJXUQEURR-UONOGXRCSA-N 400.435 0.384 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 444577834 WWSTXNXUUOZPOW-OAHLLOKOSA-N 409.425 1.531 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@]2(CCO[C@@H]2C)O1 448429188 AQYXDRKAPRGVFK-ARGWCVDVSA-N 410.434 0.872 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)cc1 463324468 HSMABUONIXJLQM-UHFFFAOYSA-N 417.429 0.835 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCCN(S(C)(=O)=O)CC3)C2)n1 471858687 TTXDOFVYFOUQKO-QGZVFWFLSA-N 405.524 0.972 30 20 HCED COC(=O)Cn1ncc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1C 476751868 ZQCSGTZEXHVNJY-UHFFFAOYSA-N 405.436 0.727 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)cn1C 482343247 KTQCDTZYHZWOAQ-AWEZNQCLSA-N 417.491 0.901 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COCc2ccccc2Cl)c1=O 503706315 WAKYTMXYDCRBOJ-OAHLLOKOSA-N 407.854 0.775 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 506591070 NOXAKHQOLLXDOV-KSZLIROESA-N 418.519 0.883 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OC 509705125 UBICOAHKEGTRKS-LBPRGKRZSA-N 420.871 0.731 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)c1C#N 513586126 LPPWOCQEEQJJBN-OIISXLGYSA-N 414.510 0.569 30 20 HCED CN(C)C(=O)CCN1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 521854049 RXOQVNCLSQUECP-UHFFFAOYSA-N 409.494 0.999 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 522788289 HLMJPJXJMIQBJG-MRXNPFEDSA-N 410.496 0.862 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 532201510 YTYKATIWIAPVNB-ZFWWWQNUSA-N 413.521 0.651 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533380397 KUNQLUAUHXURSA-CVEARBPZSA-N 412.899 0.238 30 20 HCED C[C@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 543005539 RAWKJOOFTHIOFV-SNVBAGLBSA-N 409.855 0.885 30 20 HCED C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCOC1 544472582 UDGQYRBJNZEKSP-SJLPKXTDSA-N 420.535 0.796 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccc(C(N)=O)c1 550739477 WBWINAQZHLSYOT-UHFFFAOYSA-N 407.474 0.864 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 559603075 BDCBURQKJZILNE-UHFFFAOYSA-N 409.446 0.935 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2)c(F)c1 560987684 ISGXPFXBSADDOK-SJORKVTESA-N 420.510 0.855 30 20 HCED Cc1cnn([C@H]2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)c1 567433748 ZMFNLZYLGUWILF-INIZCTEOSA-N 404.434 1.364 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1C#N 589272951 YNCYLPYMIUPSLL-UHFFFAOYSA-N 401.452 0.222 30 20 HCED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 590303692 FYQJHWRSUBIIJB-UHFFFAOYSA-N 422.511 0.110 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 606092786 MMLZRNXDGZMKJQ-AWEZNQCLSA-N 409.468 0.083 30 20 HCED COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccn1 610810014 AVLBYGGNJDJBSU-BLLLJJGKSA-N 402.432 0.651 30 20 HCED C[C@@H]1CC(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 611178169 VIESWYOCEIINGZ-CQSZACIVSA-N 412.450 0.665 30 20 HCED C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 642188237 AFZGNJUJBPBBEM-IAGOWNOFSA-N 402.561 0.383 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(C)s2)c1=O 725763387 JADCZSMHDGQSKK-UHFFFAOYSA-N 406.533 0.739 30 20 HCED C#Cc1cccc(NC(=O)CNC(=S)NCc2ccc(S(N)(=O)=O)cc2)c1 726469218 KCKBDWSIPWMZLN-UHFFFAOYSA-N 402.501 0.918 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)nc2O)CC1 729256958 OOPXIYZNBPHCLS-UHFFFAOYSA-N 422.489 0.379 30 20 HCED N#CCNC(=O)COC(=O)CNC(=O)c1ccccc1I 731233811 QKJDVBGINMPCTD-UHFFFAOYSA-N 401.160 0.204 30 20 HCED CCNS(=O)(=O)CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 731760787 ZZYYCUCXHPYHHZ-UHFFFAOYSA-N 416.507 0.877 30 20 HCED CCN(CC)C(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731851135 IGLMOCLJUKPMRL-ZCXUNETKSA-N 420.491 0.973 30 20 HCED C#CCN1CCC(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)CC1 732094470 IAESTSGSMVHAEZ-LJQANCHMSA-N 411.568 0.070 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCc1cccnc1 732796808 IOLSPWSNOIYKAT-UHFFFAOYSA-N 422.514 0.574 30 20 HCED CCc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910066 KZXCZXITVSFTSH-HOTGVXAUSA-N 417.487 0.568 30 20 HCED C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 734600695 FONOZWSVCVLRAK-GFCCVEGCSA-N 402.432 0.505 30 20 HCED C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 741541200 VNCCAKCBGYHQJI-UHFFFAOYSA-N 417.443 0.537 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 743201972 UFHBQXGTSIOSDK-UHFFFAOYSA-N 404.442 0.846 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 747509700 GUFIOLZUWBCGLX-SJKOYZFVSA-N 423.491 0.276 30 20 HCED CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749728932 TXGKWGYITDIOSJ-MXVUGKIDSA-N 424.523 0.961 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cn1C 750621244 STWRTEUXPQXPJU-UHFFFAOYSA-N 419.463 0.497 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC)C(=O)N2CCOCC2)ccc1F 752481757 FWBZBSKJISMZNL-HNNXBMFYSA-N 413.471 0.657 30 20 HCED CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1C#N 752796567 MIFVDXIFFFYNGZ-JTQLQIEISA-N 414.422 0.790 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2nc(-c3ccccc3)cs2)c(=O)n(C)c1=O 755804500 MZTBLWIZSKYVAD-UHFFFAOYSA-N 405.461 0.520 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)cc1 757958560 IAZSOCUJIBWZJE-MJGOQNOKSA-N 402.472 0.813 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCO2)c1 762300758 LQBSHFMSBROTQV-KURKYZTESA-N 417.487 0.494 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)cc3cccnc23)c(=O)n(C)c1=O 771892041 WUDRIIHCKXDZLK-UHFFFAOYSA-N 407.839 0.598 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N1CCOCC1 776123239 ZEIXNFBZULSZIQ-UHFFFAOYSA-N 407.495 0.132 30 20 HCED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[C@@H](C#N)C(=O)c1nccn1C 777332599 CWGGZCRURPNXEU-OCCSQVGLSA-N 405.455 0.977 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 780043194 AJKKTZHAGLAFOW-ZDUSSCGKSA-N 416.459 0.922 30 20 HCED C[C@H](NC(=O)C(=O)NCc1cc(C#N)ccc1F)c1cccc(S(N)(=O)=O)c1 785525246 UJBLCLGIYOWQOX-NSHDSACASA-N 404.423 0.838 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 790854916 KGYPXPMVPFNVKD-UHFFFAOYSA-N 402.407 0.576 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(OC)cc(-n3cccn3)c2)CC1 792344031 PTXFMCDUCCOJAH-UHFFFAOYSA-N 409.446 0.807 30 20 HCED COc1ccc(S(=O)(=O)Oc2cccnc2C#N)cc1[C@@]1(C)NC(=O)NC1=O 795285362 VYXDWKXGCMFENB-QGZVFWFLSA-N 402.388 0.784 30 20 HCED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 802343544 VZPWQQSEJXZLAI-MRXNPFEDSA-N 404.496 0.981 30 20 HCED COC(=O)N1CCC(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 805831798 MZHRJYQXSJQYQB-UHFFFAOYSA-N 403.487 0.910 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 806192326 GMHUZXGHLYOIFS-NDEPHWFRSA-N 404.536 0.866 30 20 HCED Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 809037152 NAAYVQUMDGKFEP-UHFFFAOYSA-N 410.477 0.925 30 20 HCED C#CCCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 810780666 LWIVZFDVPAXKNO-SFHVURJKSA-N 407.448 0.240 30 20 HCED C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)C)CC1 812227365 ALQDBUQSSQFXJB-AWEZNQCLSA-N 410.544 0.510 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC[C@@H]21 813750104 OZGKKOKHJXWTCK-KFWWJZLASA-N 400.501 0.787 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(nnn3CCOC)C2)c1 817840981 QBXCIHZMKPJSBP-UHFFFAOYSA-N 403.464 0.035 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCCS2(=O)=O)c1 917690977 SQFVHFHUQHNKFI-OBGWFSINSA-N 414.509 0.473 30 20 HCED COCCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918271343 QZFSLIRFESVBKQ-PGMHBOJBSA-N 410.496 0.981 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(OCC(=O)O)cc3)CC2)nc1 918746643 UJEWOQXGNBCWAG-UHFFFAOYSA-N 402.432 0.928 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC[C@H]1CCCO1 921172528 XWOOYBQUEBMDLD-UKRRQHHQSA-N 409.464 0.719 30 20 HCED COc1cc(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(F)cc1C#N 1207879605 KLVZURZVZONTTE-UHFFFAOYSA-N 417.401 0.200 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1254963663 UNUNSHNMDNKMNG-CJNGLKHVSA-N 400.478 0.581 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1286630712 UELVELAWBGHNTB-CYBMUJFWSA-N 405.908 0.590 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1316349577 VBXYHLBOOCSGDY-AWEZNQCLSA-N 419.463 0.837 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 1317704532 VUZSRQWZVMDVQF-SFHVURJKSA-N 409.464 0.715 30 20 HCED C=CC[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)O 1321206115 GFXOQABZNJRCBR-ZDUSSCGKSA-N 408.480 0.902 30 20 HCED C=CCOC[C@@H]1NC(=O)N(C2CCN(S(=O)(=O)C3CCOCC3)CC2)C1=O 1334371611 VXRIEESJULLWNU-HNNXBMFYSA-N 401.485 0.083 30 20 HCED Cc1cc2c(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)n[nH]c2cc1C#N 1452827070 SEXSHEHIQJVZOM-STQMWFEESA-N 401.448 0.717 30 20 HCED CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467706853 KDSICHFOZRUEIM-MRXNPFEDSA-N 401.448 0.310 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1475528626 SZDGVGNOHOFVPH-BBRMVZONSA-N 401.510 0.942 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nn(C)cc3C#N)c2)CC1 1539771087 SFGRZEVTMRGCRB-UHFFFAOYSA-N 416.463 0.397 30 20 HCED CN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1552731733 JHJPNLMGAIQPJU-INIZCTEOSA-N 416.507 0.776 30 20 HCED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1584485884 UXDZIFORWPWIJN-IYBDPMFKSA-N 402.499 0.228 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1611633678 KKASVBACDGRXCV-CYBMUJFWSA-N 414.495 0.863 30 20 HCED COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1612106028 QUQGDPMJBAYDGE-OAHLLOKOSA-N 417.853 0.635 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1618794843 XYBYFJDXWJTIDO-KRWDZBQOSA-N 411.466 0.294 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)nc2)C1 1620348495 XHWDNGQQFRETCT-LJQANCHMSA-N 412.429 0.385 30 20 HCED CCOC(=O)CC1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)COC1 1636753353 ZACRMLRHPSOLKG-GFCCVEGCSA-N 409.464 0.342 30 20 HCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1711318204 IXLBKIYZRQWKRL-FQEVSTJZSA-N 405.466 0.956 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC12CCOCC2 1741943708 HTIMXCCTVUSLIF-ZNMIVQPWSA-N 424.527 0.434 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1nc[nH]n1 1777774167 TYHWYYKWTGYRIF-NCKXDHSNSA-N 420.470 0.461 30 20 HCED CC(=O)O[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2)C(C)C 1778791108 DNTDDLVJMCGJRX-UTKZUKDTSA-N 422.526 0.686 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062604 MJUDYGVJXJCIAL-NRFANRHFSA-N 400.479 0.562 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1781400393 LLUSBOYHRLHWNR-FOIQADDNSA-N 420.466 0.640 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3c(C(=O)OCC)ncn3c1)CCO2 1783048854 LQWQACLEHMTXLQ-NRFANRHFSA-N 410.430 0.588 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1783175728 FLERYJWJURPLDU-IIBYNOLFSA-N 405.495 0.040 30 20 HCED CC(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784185752 PVRBBHVOMDWJHP-JPLJXNOCSA-N 406.523 0.682 30 20 HCED CCC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]21 1784368074 XHVQTAIWMQIHIN-NRKLIOEPSA-N 410.515 0.682 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784511098 RNWMYZDNJLBLRX-KKUMJFAQSA-N 416.565 0.792 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3ccccc3)C2)C1 1785562759 XWHMULBDDALGIX-AVYPCKFXSA-N 405.520 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HCED CN1CCN(CCCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512938204 ZJAMWZICRAWPGH-UHFFFAOYSA-N 413.457 0.575 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)C1=O 520454104 SFBMOWSRTRYHOB-GJZGRUSLSA-N 420.416 0.432 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 535162717 PWAPESJWTCNVHJ-UHFFFAOYSA-N 419.453 0.960 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1)Cc1ccc(O)cc1 542289731 POJCIUNGZFUXHQ-OAHLLOKOSA-N 413.434 0.897 30 20 HCED C=CCSCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 543745405 UZFZTDPTTRGHON-GJZGRUSLSA-N 406.574 0.587 30 20 HCED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCOC1 544472581 UDGQYRBJNZEKSP-FUHWJXTLSA-N 420.535 0.796 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 554766437 XAELGXOSDLDBKB-UHFFFAOYSA-N 424.461 0.647 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1 554991329 KBECQZHTBOOUJU-AWEZNQCLSA-N 400.460 0.658 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(C#N)cc1 560914340 UYNVPYCJIBGKLR-KURKYZTESA-N 407.492 0.567 30 20 HCED Cn1ccnc1[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 566583076 ABXBYKFHCOAUDZ-ZWKOTPCHSA-N 420.473 0.525 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)CC1 568038959 SVNXXWFULUNNLZ-LJQANCHMSA-N 418.513 0.955 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 568560995 CTZIYWNTEHXBHK-UXHICEINSA-N 414.506 0.903 30 20 HCED COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 569769773 QFHVKSTUUDNQBW-KRWDZBQOSA-N 411.462 0.959 30 20 HCED Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2)n[nH]1 577542819 KITQNTQAFFZMKF-UHFFFAOYSA-N 422.493 0.419 30 20 HCED CS(=O)(=O)NCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CC1 577966147 BFALZPJYUOSNDJ-UHFFFAOYSA-N 414.509 0.032 30 20 HCED COc1ccc(OC)c([C@H]2CCCN2C(=O)CN(CC#N)S(=O)(=O)N(C)C)c1 579530782 KSKLODFOVRKGCK-MRXNPFEDSA-N 410.496 0.999 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)N3CCCCC3)CC2)CC1 611370917 AWDUZOZBWAHHPQ-IBGZPJMESA-N 404.559 0.902 30 20 HCED N#C[C@]1(F)CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 615647848 ZZZPWVQKZCFPFE-GOSISDBHSA-N 410.471 0.261 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2F)c1=O 619695017 OSAMFWCYUDQJCK-UHFFFAOYSA-N 417.462 0.509 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@H](O)C(F)(F)F)C1=O 679694780 WNXFNMFRGUYKCM-ZDUSSCGKSA-N 413.352 0.915 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)/C(C)=C/CC)CC1 733148569 CTUJTIROJFITBF-BNSMALCHSA-N 406.552 0.528 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCN(C(C)C)CC2)cc1 735969886 ZDJQMHNPLXVGRQ-UHFFFAOYSA-N 421.519 0.744 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(N)=O)c2)cc1 742770699 YOKHJJWPIJTVTN-UHFFFAOYSA-N 401.444 0.392 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)s1 743879928 KKUQKBBUFOLOPN-UHFFFAOYSA-N 411.436 0.802 30 20 HCED C[C@@H](OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)N(C)CCC#N 744709147 IYMXVYHJOIZIPL-CQSZACIVSA-N 409.464 0.625 30 20 HCED COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)Nc3cnn(CC#N)c3)C2=O)c1 746433693 ZRAVFUUZXNOCJR-INIZCTEOSA-N 412.406 0.284 30 20 HCED C[C@H](OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)N(C)CCC#N 747293302 WFPKZVRQNUDXIC-HNNXBMFYSA-N 407.492 0.834 30 20 HCED O=C(NCC1CC1)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748756038 ZLUISHPLWMKURQ-CQSZACIVSA-N 422.532 0.543 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCOC1 749870413 QLJCNCBPHYXWFV-CQSZACIVSA-N 415.519 0.192 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3)n2)CC1 751901611 DXOTZLWLQBLFSZ-UHFFFAOYSA-N 400.870 0.818 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(OC)s2)c1=O 758082083 AVSFYKFMOJUCMT-UHFFFAOYSA-N 401.513 0.888 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C1 758752382 BQQCCWUPCPNVEZ-KGLIPLIRSA-N 408.503 0.337 30 20 HCED C[C@@H](CO)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 759109065 QLRZEBILPMWHDD-PFKVCDDJSA-N 424.523 0.963 30 20 HCED COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 763369751 PPCRDLXPVUXFSL-KRWDZBQOSA-N 406.402 0.936 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(OC(F)F)n(C)n3)CC2)o1 767716401 USBZESXAQXYOHX-UHFFFAOYSA-N 424.364 0.695 30 20 HCED O=C(O)Cn1cc(C=NNc2ccc(S(=O)(=O)Nc3ccccn3)cn2)nn1 768482377 ITCSHMKXSURIMD-UHFFFAOYSA-N 402.396 0.400 30 20 HCED COC(=O)Cn1cc([C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nn1 770711751 QMZLPCFXJSVUAR-NWDGAFQWSA-N 421.435 0.294 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 775046710 YOOSUYPYXIFMOA-HXUWFJFHSA-N 423.517 0.882 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@H]1CCCO1 775783520 BRJGLIUDAAEXES-RTBURBONSA-N 402.470 0.679 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCCNc3ccc(C#N)cn3)no2)cn1 780820208 FFGUUMLDRWHHRJ-HNNXBMFYSA-N 423.437 0.932 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 783073820 HSKFYTIPFGJGJJ-UHFFFAOYSA-N 405.498 0.668 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 783479427 KMIJWSMLNJRXJA-INIZCTEOSA-N 419.503 0.802 30 20 HCED N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 784455891 NREGNTWBBGKLFA-UHFFFAOYSA-N 406.446 0.899 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 784485431 IUMDXQMAWKEBQL-KFWWJZLASA-N 405.451 0.907 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CCS(C)(=O)=O)C2CC2)cc1 785115898 KDOUKBDTALKQHD-UHFFFAOYSA-N 408.480 0.968 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 785659168 BMSGIQUTNDRCFK-GJZGRUSLSA-N 420.491 0.352 30 20 HCED Cc1nsc(N2CCCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787787044 GQDHXUKTKPRXHL-UHFFFAOYSA-N 414.495 0.380 30 20 HCED C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)C 799042141 PDJKWICMFOMSOC-HOTGVXAUSA-N 400.522 0.542 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2nc3ccccc3s2)CC1 804168287 YAXLFNZZNLTYTP-AWEZNQCLSA-N 415.519 0.920 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 806196817 PSNPPVCJNMKECN-BCOMRZATSA-N 418.519 0.439 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1 807110830 YGVBIDAZXDDZJA-IHRRRGAJSA-N 400.501 0.869 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c1 808137100 NWSLPCOUAIVMQX-SFHVURJKSA-N 418.519 0.023 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)n1 809496873 YKSBKRZVKBFCTJ-JXFKEZNVSA-N 420.535 0.662 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CC(=O)NCCOC)C1=O 914556726 JGTVUJRWSKJFNQ-CQSZACIVSA-N 408.480 0.525 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2nnc(C3CC3)o2)cc1 914884352 AKJQWIZETWYNME-UHFFFAOYSA-N 405.392 0.279 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c1 915738712 ZOHCJWWXAJZOFR-UHFFFAOYSA-N 414.487 0.535 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 916871450 WBPOUKMQZDEDGS-WMLDXEAASA-N 413.430 0.937 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NC1CC1 921243923 HCHZRBZCIJNLJX-OAHLLOKOSA-N 406.508 0.877 30 20 HCED COc1ccc(C2=NO[C@H](CNC(=O)Cn3cc(C#N)c(O)nc3=O)C2)cc1F 1155324945 WEEJQEYTUKNXRW-LBPRGKRZSA-N 401.354 0.278 30 20 HCED CN(C[C@H](O)c1cccc(Br)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1161744561 UUBWPZGBFWBUTD-ZDUSSCGKSA-N 407.224 0.775 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297699147 BULYKTVIZBLXJE-KRWDZBQOSA-N 415.523 0.951 30 20 HCED CC(=O)N1CCN(CCn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1301767312 PUUHTEOHQYAKOE-GOSISDBHSA-N 424.509 0.541 30 20 HCED C=CC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)OCC 1320435834 BNXHYKGEQTZHST-SFHVURJKSA-N 423.535 0.925 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)CCO1 1521130453 WJPBHDHIGPKZQH-SWLSCSKDSA-N 406.443 0.491 30 20 HCED C[C@@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1545126061 WQPFVMGYMSYITJ-DNVCBOLYSA-N 405.478 0.563 30 20 HCED CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1 1547735446 QVYPXAKUOCRNPY-SJORKVTESA-N 402.547 0.995 30 20 HCED COCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1555527906 NCGQZRAEKZGIAJ-QFBILLFUSA-N 424.571 0.888 30 20 HCED CS(=O)(=O)c1ccccc1CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1559031501 JPCFXDHVZVLMNE-UHFFFAOYSA-N 421.500 0.599 30 20 HCED CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1596831272 LDPWXIPOFDNHEY-LSDHHAIUSA-N 414.532 0.632 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(C(F)(F)F)no1 1633788375 WMZPXJUFYXUVPX-MRVPVSSYSA-N 403.342 0.943 30 20 HCED Cc1noc(C)c1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1726423365 PXJDOTZZZRMWKU-TZMCWYRMSA-N 423.499 0.465 30 20 HCED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)OC 1769240052 UJVOVATZFXYXPG-INIZCTEOSA-N 407.496 0.959 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777977024 JCOHLQRLPVYBJY-YOXWTLATSA-N 424.461 0.031 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3c4c(nn3C)CCC4)CCO2)C1 1778976207 WRLWQVISYCLOBZ-HTAPYJJXSA-N 416.522 0.925 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1778976319 OHCWHZFJQDWVQV-UWJYYQICSA-N 403.479 0.733 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)on1 1779100769 XWCQHWNFECOQMS-JJOCEZFHSA-N 420.466 0.884 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1779101180 KYEHOCKAIBSAAI-XCKVFWMBSA-N 418.450 0.760 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)no1 1779101333 MSXTZFBQRQXNQH-ZMNJEPIRSA-N 406.439 0.956 30 20 HCED COc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)nn1 1779899632 DWUYTFCIBBIBNG-AUUYWEPGSA-N 405.455 0.730 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)n2ccnn2)CCO3)c1 1780172186 CILGAMZQJDCJES-YCRPNKLZSA-N 424.461 0.863 30 20 HCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2)N1CCN(C)CC1 1780636898 QLDSWGPNXGVRAA-JBYIUTFZSA-N 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416.503 0.378 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CC(=O)N(C)C)c1 481517490 GOCJWHOSKADHTP-GFCCVEGCSA-N 404.452 0.148 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OC 481759825 XNZDZUDYBDHRGP-KRWDZBQOSA-N 419.459 0.778 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cn1C 486120654 YNLDLKAHWJSNMM-UHFFFAOYSA-N 402.480 0.545 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 490836440 XCWSGADENZZSEO-AWEZNQCLSA-N 407.452 0.261 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3nc(C)sc3c2)CC1 491044033 BVPDFVXQTCBUBU-UHFFFAOYSA-N 401.492 0.990 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)NCCOC)CC2)c1 491156628 OVHKTCWKWXZWKM-UHFFFAOYSA-N 404.467 0.097 30 20 HCED N#CC(C(=O)NC[C@@H]1CCCO1)=c1sc(=Cc2cscn2)c(=O)n1C1CC1 497555211 TUDWDJKBLCVZBN-ZDUSSCGKSA-N 402.501 0.499 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2=O)cc1 500396847 KNLXGNQBOTVROD-SFHVURJKSA-N 417.425 0.657 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)cc1 504398196 CSPINJFODVYSPW-UHFFFAOYSA-N 420.491 0.265 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 506584307 BQDCDHASAPMLMP-UHFFFAOYSA-N 424.454 0.500 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)n1 508318939 OLYDOUDLPLXJOF-UHFFFAOYSA-N 422.493 0.437 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 509416057 MBGHIVWXJDFKEU-CQSZACIVSA-N 411.509 0.343 30 20 HCED CN(CC(=O)N1CCC[C@@H](c2nc(O)n[nH]2)C1)S(=O)(=O)c1ccc(C#N)cc1 510285142 AZSPFKAAHFHWMP-CYBMUJFWSA-N 404.452 0.409 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 514993809 NWZSOJYNNFIRFL-UHFFFAOYSA-N 404.492 0.698 30 20 HCED CCN(CCCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)S(C)(=O)=O 515991450 LXWYKGDNOCXYHW-UHFFFAOYSA-N 406.512 0.938 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCOC4(CCCC4)C3)C2=O)cc1 516338057 HKNRPAXKDYIVLB-SFHVURJKSA-N 410.474 0.947 30 20 HCED CN(CC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 521089117 XHSGKASDPYHBMW-MRXNPFEDSA-N 404.492 0.650 30 20 HCED Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 521559930 MAXQCGUDBRGGNN-UHFFFAOYSA-N 418.435 0.505 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)OCC)Cc2ccc(F)cc2)C1=O 523025289 HRTPFAJSJGLLEX-UHFFFAOYSA-N 405.382 0.694 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1Cc1ccon1 532194247 SDGLSHWOPOYWRA-UHFFFAOYSA-N 408.439 0.130 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)c(=O)n2C 542000731 MOVLLPGUASSVNQ-UHFFFAOYSA-N 422.380 0.269 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1-n1cnnn1 546203731 UEOHDFXMUNGMLP-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CC(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 550316327 XEGSUFRDBZFQCE-SFHVURJKSA-N 404.492 0.792 30 20 HCED CCOC1CC(CNC(=O)C(=O)NCc2cccc(C#N)c2)(N2CCOCC2)C1 550972002 MCVPYSANHCULOM-UHFFFAOYSA-N 400.479 0.561 30 20 HCED CCCN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 555769338 JBXBXYUGMFFOML-IBGZPJMESA-N 411.506 0.766 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)cc1 559834318 HANABHFCJUYKFP-UHFFFAOYSA-N 413.522 0.431 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCN(C4CC4)C3)C2=O)cc1 559900513 KWVKOZLTWPSKRC-IEBWSBKVSA-N 409.490 0.376 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(C#N)cc1 560172776 UZPMYAYBVXODCO-ZDUSSCGKSA-N 407.430 0.931 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)n1 561007769 LJVBGPZAJNNUKL-UHFFFAOYSA-N 418.395 1.493 30 20 HCED C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 562474303 HGJDVTDWZGVMBL-MAUKXSAKSA-N 415.494 0.957 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCc2nnc3n2CCCC3)CCN1Cc1ccccc1 565496372 PEUVVKGLSFYWSM-QGZVFWFLSA-N 407.478 0.467 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC[C@@]3(O)C[C@H]4CC[C@H]3C4)n2)cc1 576968130 SDEWXZYOSBZHMP-XGHQBKJUSA-N 408.462 1.194 30 20 HCED N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n1 579173920 HMIZAKSNNVBIGA-UHFFFAOYSA-N 404.433 0.587 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)C2=O)cc1 584298953 AGQRGALQIUIWLZ-IAGOWNOFSA-N 406.446 0.172 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 588127441 HNOYXQFDHBXMPT-KRWDZBQOSA-N 401.442 0.147 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(C)cc1 603793050 VANZAMJDJOYVPO-UHFFFAOYSA-N 420.494 0.868 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(=O)N(C)C 604270159 QCIRZHUZNUPFCP-UHFFFAOYSA-N 418.544 0.479 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)CCO1 609282658 FGLWXUFMQLQVMV-CYBMUJFWSA-N 401.448 0.822 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)CCO1 609944757 VFOZBDJNDVLWPT-GOSISDBHSA-N 411.462 0.663 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1nc(-c2ccccc2)oc1=O 610690247 ZPDAAGAIEIWKEG-AWEZNQCLSA-N 405.418 0.902 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 611380744 CKAAUZARUZTQJD-UHFFFAOYSA-N 424.465 0.542 30 20 HCED Cc1cc(CN2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)on1 612710126 XMFOTCJULUBESX-UHFFFAOYSA-N 403.464 0.477 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)CCN2C1=O 619067023 YRHBXXFFCZIZPY-CYBMUJFWSA-N 400.439 0.548 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCC(S(N)(=O)=O)CC3)ccc2c1=O 728153502 AYIPKARHZWQLEL-UHFFFAOYSA-N 408.505 0.764 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730658183 RFJRUVVPZCPYQF-UHFFFAOYSA-N 418.373 0.310 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 733149133 YYXINJQYFYACKB-IBGZPJMESA-N 412.490 0.854 30 20 HCED COC[C@@](C)(O)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 745316438 OSTUYSMKQWGSIO-LJQANCHMSA-N 418.406 0.395 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)CC1 749877306 WCJCVYKDZZQZHA-OAQYLSRUSA-N 412.446 0.002 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(CC)s2)c1=O 752191569 WJZHZHUFWCCUCH-UHFFFAOYSA-N 420.560 0.993 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(O)CCN(C)C1 762724685 VIBARGHBPUMFSZ-KXBFYZLASA-N 408.524 0.467 30 20 HCED C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 763949526 MUKQCCQRVOQFCH-UHFFFAOYSA-N 407.492 0.752 30 20 HCED C#C[C@@H](C)N(C)C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 767254368 LXXXXAZGQJCHRO-CYBMUJFWSA-N 407.471 0.181 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCc1nc2ncccn2n1 768829938 KUBNCMBSTLSBES-ZDUSSCGKSA-N 414.447 0.839 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1=O 769844680 FCQOQOKQXGZBAH-MRXNPFEDSA-N 414.443 0.245 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 771471398 POAFYJISZKVKJM-QWHCGFSZSA-N 409.468 0.479 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)[C@@H]1CCCO1 773791882 OTTUWIXGKJTAKE-CVEARBPZSA-N 407.492 0.999 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1)[C@H]1CCCO1 773799612 SZQLXFYTKCWBIV-RTBURBONSA-N 412.490 0.700 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(C2)OCCO3)cc1 774383147 FVZGXXJGWLEIPW-UHFFFAOYSA-N 409.464 0.407 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 786553271 TVXMKCMAISXFBY-WSIUPNEHSA-N 409.442 0.873 30 20 HCED C#CCn1ccc(CN(CC)[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 789331539 CQDGMZJFRLCFBA-INIZCTEOSA-N 417.535 0.733 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1=O 799267074 BOZKDRBNNCBJDO-ZDUSSCGKSA-N 415.418 0.867 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCCCN2CCC(C(N)=O)CC2)c(F)c1 802549493 OECMZRAWSNJZBU-UHFFFAOYSA-N 406.433 0.978 30 20 HCED N#Cc1sc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)nc1Cl 804530234 ACRZQPKHLWMDSZ-VIFPVBQESA-N 410.930 0.307 30 20 HCED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 808278143 HJCMCHPHPMUPEJ-UHFFFAOYSA-N 400.507 0.351 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 808329091 YNTARMCXKLWRRR-HZPDHXFCSA-N 415.560 0.950 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@H]1CCCO1 809306075 MYEUSYZOLVSZSB-RBUKOAKNSA-N 415.465 0.726 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CCCO1 809307096 YQNLVKJWGDBSBG-IKGGRYGDSA-N 411.437 0.812 30 20 HCED C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 812180606 YLLRXRWBZMGSLI-ZIAGYGMSSA-N 415.541 0.091 30 20 HCED Cn1c(S)nnc1CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 818223938 VNQIZNMXRZWSOU-UHFFFAOYSA-N 408.509 0.658 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(C)c2)c1=O 837521861 YOISQUJUPSICAY-UHFFFAOYSA-N 417.535 0.488 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc4c(c3)OCCO4)n(C)c2=O)cn1 839277397 FHZWFNTUFSBGIS-UHFFFAOYSA-N 423.454 0.093 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)cc1 917020674 NCPLYOJAGRYFLQ-MRXNPFEDSA-N 418.413 0.841 30 20 HCED O=C(COC(=O)CN1CCCS1(=O)=O)NCC#Cc1cccc(C(F)(F)F)c1 919362966 POHCUMPPJWNDBN-UHFFFAOYSA-N 418.393 0.752 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nnc(O)nc1O 998811913 XKXCWHDMDYIJDY-MCZMQQNQSA-N 403.439 0.516 30 20 HCED Cn1ncc2cc(S(=O)(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc21 1255756466 PGNKWTXPORNMKZ-QGZVFWFLSA-N 410.459 0.919 30 20 HCED CC(C)(CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1COCC12OCCO2 1275563953 RWGRTUUIHXZHBL-OAHLLOKOSA-N 423.491 0.257 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NC3CCN(CC#N)CC3)no2)cn1 1323594748 AMLYQGLFZBSSNX-HNNXBMFYSA-N 400.443 0.541 30 20 HCED CS(=O)(=O)CC1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1519517342 VLORLKAQOILIOU-GOSISDBHSA-N 424.502 0.781 30 20 HCED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cccc(Br)c2C#N)C1 1622318666 YYJLUGLGJNKXTO-VHSXEESVSA-N 403.254 0.865 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1711423878 QIAJNSKEZUSGSB-HNNXBMFYSA-N 408.459 0.286 30 20 HCED CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCO1 1741104963 QLFRSNYLQBLGCZ-SFHVURJKSA-N 421.465 0.450 30 20 HCED 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402.495 0.856 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccnn4)C3)C2)cc1 1838951209 DEECPKNCHXDZGH-OAQYLSRUSA-N 407.430 0.732 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(OCC(C)C)c3)C2)C1 1839808084 KCLJHVJQXIGXAZ-NRFANRHFSA-N 401.463 0.820 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(=O)OC(C)(C)C)C2)C1 1839811875 TZPWJCVJEPVBFS-OAQYLSRUSA-N 423.510 0.627 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1)C(F)(F)F 1839895040 GRZCQTOWWFZNFB-KRWDZBQOSA-N 406.401 0.866 30 20 HCED Cc1cccc(Cl)c1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043558 GNXMHMJALXNEEV-FQEVSTJZSA-N 420.849 0.806 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323399 FZONAFVRLOPRSO-OXJNMPFZSA-N 406.483 0.390 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)cc1 1841890551 VCILFTPQPOSWDA-UHFFFAOYSA-N 409.446 0.246 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cnc3sc(C)cn3c2=O)C1 1843784359 HVMBJYPPYAKEBI-AWEZNQCLSA-N 414.487 0.920 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cc(C)on1)C2 1844237209 GXZICENABPMVGL-OAHLLOKOSA-N 404.467 0.489 30 20 HCED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)C1=NNC(=O)C1)C2)c1ccc(O)cc1 1846414217 PCCDGHHSWZUVFW-INIZCTEOSA-N 408.458 0.969 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)C[C@H](C)C#N)CC2)cc1 143190496 IEGPBKHORBLKPB-OAHLLOKOSA-N 406.508 0.814 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 435436579 GDRZOBYMWIOKHT-CYBMUJFWSA-N 407.539 0.681 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1 437394275 SBSVXJRDJWZDEY-ZIAGYGMSSA-N 410.496 0.946 30 20 HCED COC(=O)[C@@H](O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 438219534 MMWPKXNIEVFXBO-INIZCTEOSA-N 409.464 0.265 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1 440990518 VEBQUWPWLVTHIS-MRXNPFEDSA-N 404.467 0.435 30 20 HCED COCCc1noc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 468187400 OJFZQWYWGPGBGO-UHFFFAOYSA-N 407.452 0.641 30 20 HCED C[C@H](CO)N1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 469852406 OSBTWOMACOPFDE-MSOLQXFVSA-N 405.568 0.845 30 20 HCED CN1CCN(C(=O)Cn2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cn2)CC1 472027811 RAHXWKJWEFGXFO-GOSISDBHSA-N 405.462 0.850 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1 479898605 OOWAVAYMLSWEDO-SJORKVTESA-N 422.555 0.779 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(N)=O)cc1 480106262 ALFWWLNWGRDTKZ-GFCCVEGCSA-N 402.432 0.728 30 20 HCED COC(=O)CC1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 482842520 UYVVQDRGMSKHEB-CYBMUJFWSA-N 409.464 0.454 30 20 HCED CN(CC(=O)NCCc1nnc2n1CCCC2)S(=O)(=O)c1ccc(C#N)cc1 483440728 NJBNWHZCXQUNOQ-UHFFFAOYSA-N 402.480 0.465 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c1 484613254 BAFKJHYJLDABIG-UHFFFAOYSA-N 415.540 0.924 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)C2=O)cc1 486020802 SCQWAGFNQSMPNB-KSZLIROESA-N 408.458 0.951 30 20 HCED CC(C)(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1cc(F)cc(C#N)c1 491887747 JGJVBZGKJACNBB-IRXDYDNUSA-N 409.483 0.277 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1sc(C)c(C)c1C#N 497568593 WEMXBAKGTWVILA-CQSZACIVSA-N 408.480 0.555 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)nn1CCC#N 504043050 ISJUFRGOUNVYBI-UHFFFAOYSA-N 423.477 0.509 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C3CCN(S(N)(=O)=O)CC3)C2=O)cc1 509724209 KDMCCTLCGABFTC-MRXNPFEDSA-N 405.480 0.085 30 20 HCED O=C(NCC#CCO)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 510060951 WWUXCUOAMYKJBY-ZDUSSCGKSA-N 415.309 0.962 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCc2ccc(C#N)cc2)c1 511233567 JVVNYSDAWMRAFB-UHFFFAOYSA-N 401.448 0.904 30 20 HCED COCCNC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 533218870 VOJPEWPIWOGRSP-SFHVURJKSA-N 401.511 0.702 30 20 HCED CCOC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCOCC1 535471051 ZNAXVLMTXBAKKR-KRWDZBQOSA-N 423.491 0.967 30 20 HCED COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 540472079 RQWYSACHNANKSM-LBPRGKRZSA-N 412.424 0.449 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)C(=O)NCC2 544586236 OTYQGFJQHJEMGQ-ZDUSSCGKSA-N 412.471 0.827 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 553671494 TZYCGPFBFBMDBB-UHFFFAOYSA-N 405.474 0.440 30 20 HCED N#CCCn1cc(CN2CCN(C(=O)Cn3cnnn3)CC2)c(-c2ccccc2)n1 554882699 MUJYIQRPYFOBAM-UHFFFAOYSA-N 405.466 0.795 30 20 HCED COCCCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 559807438 CLNAACPCQSDYCH-UHFFFAOYSA-N 401.423 0.998 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 560984943 VJXZRQGQCFEBJI-INIZCTEOSA-N 402.499 0.493 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 561413297 XONNCXXOYAXTKJ-INIZCTEOSA-N 400.545 0.073 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)o1 561493758 BVLIREJORTXKTE-UHFFFAOYSA-N 421.460 0.723 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 566684437 MQNGIFCMYOAXGD-LSDHHAIUSA-N 410.492 0.712 30 20 HCED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 569513513 ZYXKZRKYTCHHFB-UHFFFAOYSA-N 417.285 0.705 30 20 HCED CC(C)[C@@H](NC(=O)CN(CC#N)S(=O)(=O)N(C)C)c1ccc2c(c1)OCCO2 573142921 RNBLGANUXKXERF-GOSISDBHSA-N 410.496 0.903 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 574314689 MBLMXHRKVWPZOJ-WMLDXEAASA-N 419.503 0.989 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 576075493 UIVJCVZTKNILRC-UHFFFAOYSA-N 420.516 0.899 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC(=O)NCC#N)cc1 577428135 ZBEFTKPDXVMKGH-INIZCTEOSA-N 406.464 0.188 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)c1 581041838 BOQJFHFPMUUNOJ-CYBMUJFWSA-N 401.510 0.292 30 20 HCED CC(=O)N1C[C@H]2[C@@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CCC[C@H]2C1 589032940 SBQWEPYKJLHHIE-IMJJTQAJSA-N 400.483 1.211 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CN(C)CCO1 589138322 AHQWZMGOKDIIBO-KBXCAEBGSA-N 403.458 0.181 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)NCCNC(=O)c3cnccn3)CC2)cc1 608843234 KPYBIYHZYFZMGE-UHFFFAOYSA-N 407.478 0.996 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)c1 609953867 IVLJEHSNZPXZFM-ZDUSSCGKSA-N 409.393 0.554 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C(=O)NCC4)CC2)c1C#N 616004222 RWABXQCQGMLGAN-UHFFFAOYSA-N 421.461 0.173 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc2O1 728221875 CXWFFEVABNSINK-OAHLLOKOSA-N 414.443 0.265 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731862518 GOUBAVKSPKXNSO-UFZXGQNFSA-N 422.463 0.005 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1 733364897 UDABTJDGNZMLJH-UHFFFAOYSA-N 411.550 0.331 30 20 HCED N#CC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCOCC1 734453501 KUXUECMDLJINLZ-AWEZNQCLSA-N 419.459 0.813 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)cc1 746941079 JIKGQINNDIQYCJ-KRWDZBQOSA-N 406.460 0.535 30 20 HCED C[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749746337 WNCFTDIKRGZEOT-ONVNGOMYSA-N 410.496 0.571 30 20 HCED C#CCN1CCN(C(=O)CN(C)CCC2CCN(C3CCN(C)CC3)CC2)CC1 750833151 DCLGGTIMDMWAAA-UHFFFAOYSA-N 403.615 0.892 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 761032520 JICAWSWDTQCUQU-INIZCTEOSA-N 408.524 0.300 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)c1 761706350 MCTUBFWTCDFIKT-SFHVURJKSA-N 421.519 0.161 30 20 HCED CC(=O)NCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 764755971 KERIWDCCPPAZAR-MRXNPFEDSA-N 406.464 0.645 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cn1 770460414 PKJPPIINCBDQLD-LBPRGKRZSA-N 406.445 0.885 30 20 HCED Cn1cc(S(=O)(=O)NN=C(CC2CCCCC2)c2ncccn2)c(=O)n(C)c1=O 771890378 GMMFDINKHDZSDE-UHFFFAOYSA-N 420.495 0.527 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(C)(C)O)c1 773900696 NNKQJZITGQPIET-QNGOZBTKSA-N 410.496 0.715 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(Cl)c(Br)c2)c(=O)n1CC(N)=O 775660178 CLBWPDRQQGPQBZ-UHFFFAOYSA-N 423.679 0.838 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)[C@@H]1CCCO1 775783514 BRJGLIUDAAEXES-MOPGFXCFSA-N 402.470 0.679 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)O)cc1 776685255 BOYCSZBEICYRQD-KRWDZBQOSA-N 420.418 0.999 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 781992152 XIPVJMNBTNEXAG-UHFFFAOYSA-N 423.466 0.849 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)nn2C)c(=O)n1CC 782641009 VGBRCZDAIBAURG-UHFFFAOYSA-N 422.308 0.231 30 20 HCED N#CC1(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CCC1 784195094 BHIDXNRAYXMGMA-UHFFFAOYSA-N 401.391 0.739 30 20 HCED C[C@@H](OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCC1 789114741 PLSQFFLESKWQFP-SJKOYZFVSA-N 406.439 0.096 30 20 HCED CC(C)C(CS(=O)(=O)N(C)C)=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 794900056 UBJVOQFHGNJKHV-UHFFFAOYSA-N 406.486 0.918 30 20 HCED CC(C)[C@@H](OC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 795332003 ARRQHJINEOXYHK-QGZVFWFLSA-N 409.464 0.263 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(F)c1 802559914 ZJWOPPJZYKMZIH-CQSZACIVSA-N 405.401 0.982 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCOc3cc(OC)ccc3C2)c1=O 802744174 MUMKVZWYCGVOPX-UHFFFAOYSA-N 400.435 0.404 30 20 HCED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n1 803553825 UUQVNHCTZDIQLR-MDWZMJQESA-N 414.491 0.979 30 20 HCED N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 803922684 CWEVRFLBPZWJNV-AWEZNQCLSA-N 423.422 0.285 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCc3nc(C)ncc32)n1 806238394 XVDOZQQVFLBMPC-LJQANCHMSA-N 410.478 0.784 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)[C@H]1CCCO1 806985671 CWEYWPGOYGDAOC-GOEBONIOSA-N 424.475 0.351 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1C#N 807656448 NKDUDPTYWQKVMA-HNNXBMFYSA-N 410.434 0.228 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1C#N 809504708 RMRBSBHSWGOGFC-MRXNPFEDSA-N 403.435 0.752 30 20 HCED COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 815813476 IMYPMKGCIDRZPY-IXPAQYDLSA-N 408.480 0.685 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)c1 914874440 PQKAMGWEUBUDFO-UHFFFAOYSA-N 402.476 0.853 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 916691926 NHXVOFZFUJTTJA-YSYRGXBVSA-N 414.509 0.808 30 20 HCED N#C[C@H](C(=O)NC1CCCCC1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 916892138 BBLAJIHCEQLMML-KGLIPLIRSA-N 408.480 0.310 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCNc2ncccc2C#N)cc1 917896757 BULZYQTWNLAIPE-UHFFFAOYSA-N 409.493 0.594 30 20 HCED N#CCOc1ccc(CN2C[C@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)cc1 1083662696 GHWVMFJXJPTRNQ-MVBLQPKNSA-N 401.463 0.302 30 20 HCED C#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1 1110573633 XAVIPYSRMFHFSV-TYZHSBRISA-N 402.539 0.204 30 20 HCED O=C1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CN1CCC(F)(F)F 1140982716 YUCWMJOVKKMIAR-UHFFFAOYSA-N 418.397 0.696 30 20 HCED N#C[C@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1176000055 QTYCZAISDPASFI-QGZVFWFLSA-N 406.508 0.559 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1337238996 KMDPMPCCYGPYOQ-HOCLYGCPSA-N 402.469 0.853 30 20 HCED COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1504411909 VTMJHBUXDCOJJC-AWEZNQCLSA-N 420.420 0.988 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 1508423786 IRXQONNWXSZMFT-QLFBSQMISA-N 412.516 0.243 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1541116581 QWFWUQFKVAEFFF-ZACQAIPSSA-N 424.571 0.744 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccn1 1541927825 QLBPKYCQGKNPCG-GUYCJALGSA-N 407.475 0.968 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1630788811 JMZMRMHQIKRKSQ-UHFFFAOYSA-N 401.467 0.848 30 20 HCED CCC[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1695130226 QXQGMKLBSSUJIY-WWGRRREGSA-N 400.505 0.168 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1711235189 MAWOSMJVQBHABE-UHFFFAOYSA-N 416.507 0.824 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CCO1 1711360913 RHHZHXUVUKSQTM-QGZVFWFLSA-N 406.450 0.550 30 20 HCED COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1712416861 TZIOSUASYQCKLD-UHFFFAOYSA-N 414.466 0.670 30 20 HCED CCN(C)C(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1745887741 QTPXGYJPJIIXHD-PBHICJAKSA-N 412.450 0.998 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1760804035 VXNIVUOENJYDNP-OLZOCXBDSA-N 410.500 0.171 30 20 HCED Cn1cccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779100380 BYVTUOCVWKRLJQ-ILBGQUFFSA-N 404.467 0.998 30 20 HCED Cn1cccc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100382 BYVTUOCVWKRLJQ-MJWAHQGTSA-N 404.467 0.998 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCn1cncn1)C2 1779337111 HCVUTZFDRSOWJB-CSODHUTKSA-N 419.526 0.755 30 20 HCED 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30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1822930594 OQVQJGUAGZZDDR-LLVKDONJSA-N 405.432 0.653 30 20 HCED CC(=O)N[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)C(C)(C)C 1825661614 YCSYLFUIFXVSAS-BDJLRTHQSA-N 420.491 0.694 30 20 HCED COCC(=O)N1CC[C@]2(CN(C(=O)CC#N)CCN2C(=O)OCc2ccccc2)C1 1828805922 GPYBGWOTWFACSG-OAQYLSRUSA-N 414.462 0.999 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCCO3)CCO2)C1 1829915739 RTMBRGVFAOJXND-UTKZUKDTSA-N 422.526 0.294 30 20 HCED COc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(F)c1 1831209943 VFQLFIPMWOMTPR-OAQYLSRUSA-N 417.437 0.713 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3cccn4ccnc34)C2)C1 1831213077 GDUMNWGXPXZJPH-JOCHJYFZSA-N 408.458 0.818 30 20 HCED NC(=O)c1ccccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831219410 YSXQHUFIXQUQRK-JOCHJYFZSA-N 411.458 0.269 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1831388329 XBVHWAKVOZIRCB-VBKZILBWSA-N 423.416 0.468 30 20 HCED 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C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c[nH]nc4c3)C2)C1 1840159538 GYJNFGCNSBOFTE-ORAYPTAESA-N 404.492 0.951 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840435499 ZLTDFPWRRKQWMV-LAUBAEHRSA-N 415.494 0.669 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840443152 XXIRJXMEMLJHMK-HLIPFELVSA-N 421.498 0.701 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818037 GZUBRSAUPIDFFS-DYESRHJHSA-N 417.462 0.164 30 20 HCED N#CCCC(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842304859 VOPNRCGGPNVSPI-UHFFFAOYSA-N 410.478 0.529 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1SC(=N)NC1=O 1843406937 VFQWLDDDAGPGDA-SVUDFFFFSA-N 420.539 0.464 30 20 HCED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413170 UGNVURHKYKVBEI-HNNXBMFYSA-N 403.570 0.570 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1 1845064784 FCUXAEVLQBIXMS-XHSDSOJGSA-N 422.526 0.382 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1845253029 KCFNQEZZUIJKAP-JHJVBQTASA-N 409.512 0.793 30 20 HCED C[C@@H]1[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCN1C(=O)OC(C)(C)C 1847167462 WQAOSSAEWSAVTR-HUUCEWRRSA-N 419.478 0.923 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 5364979 AOTPJGHJYYVDEF-HXPMCKFVSA-N 408.455 0.678 30 20 HCED N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 55825099 RCBPFXPHFQDBKK-UHFFFAOYSA-N 417.447 0.195 30 20 HCED Cn1c(N2CCC(C(=O)NCCCN3CCCCC3)CC2)c(C#N)c(=O)n(C)c1=O 65947233 XZDKWSLHXLPGJZ-UHFFFAOYSA-N 416.526 0.164 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCNS(=O)(=O)Cc3ccon3)cc2)c1N 426865140 UTDZMBQXIAIHCL-UHFFFAOYSA-N 415.435 0.164 30 20 HCED C[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 429000788 AFEMQGJCHPESJS-WMLDXEAASA-N 404.492 0.878 30 20 HCED CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 433874131 UTJZMHQIRJQCOQ-SNVBAGLBSA-N 422.326 0.881 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CO)n2)c(Cl)c1 440676207 SXHFWUNDXVCESC-LBPRGKRZSA-N 405.867 1.272 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 444732856 KNUYTZYANGXKQI-DAYGRLMNSA-N 406.508 0.455 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 446519455 AIVICWVOOLTJBA-UHFFFAOYSA-N 414.466 0.229 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCC1 460594360 XGAJHWSOFGRXRJ-UHFFFAOYSA-N 409.450 0.842 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 460612202 HKRILBBMTNIGTF-JUCITSJASA-N 400.464 0.754 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462096854 GWGBVHFIKOYHOE-DZGCQCFKSA-N 403.468 0.978 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(-n2cnnn2)cc1 465501509 IQSQFMMVUBNINK-ZDUSSCGKSA-N 411.451 0.223 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F 467135203 GVMYVAVDHDVXQM-NSHDSACASA-N 421.447 0.150 30 20 HCED COC(=O)c1cc(C)ccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472862440 QYEBNPYMACYYHR-UHFFFAOYSA-N 424.461 0.983 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2=O)cn1 475933828 UCLGIQLMUBLLBQ-QZTJIDSGSA-N 406.446 0.704 30 20 HCED Cc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)NC[C@@H]2CCCO2)n(C)c1=O 477188667 PFXQDDLVEJPXMX-HNNXBMFYSA-N 401.463 0.693 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](CCN(C)C)C(C)(C)C)CC2)c1C#N 479987942 SIVCRGJCIUWOPJ-KRWDZBQOSA-N 417.558 0.731 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481550229 ZJTMUDZZNCFVAE-SWLSCSKDSA-N 410.521 0.605 30 20 HCED C=CCOC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 481793784 HSQCYAXZUPAHMF-CQSZACIVSA-N 404.872 0.821 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1CN1CCOCC1 482375777 BWSWBFCJEVQZSV-WBVHZDCISA-N 406.508 0.548 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482502504 UIYVANQZAXHCNJ-LSDHHAIUSA-N 422.507 0.321 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 508941200 GXFPLVCPNVFUDX-NDEPHWFRSA-N 404.492 0.962 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)S1(=O)=O 509739972 LLRITCYBDBFTPY-WFASDCNBSA-N 416.463 0.502 30 20 HCED C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511008489 FITZLEBRNQOXPJ-DOTOQJQBSA-N 406.508 0.548 30 20 HCED CS(=O)(=O)N1CC[C@@H](CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 513964207 DQMRPYNEUXWRTB-HNNXBMFYSA-N 412.537 0.146 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C2CC2)CC1 514913725 JXDLKWPNNUBEKM-UHFFFAOYSA-N 408.527 0.912 30 20 HCED Cn1cc(C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(O)nc1=O 519483353 BNZIELZVNJIZGR-AWEZNQCLSA-N 421.417 0.393 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)cc1 537316861 CYVSRKNKKDEYEO-UHFFFAOYSA-N 403.464 0.983 30 20 HCED COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(O)c1 539409921 KSAXLJJHMNWPOW-SJKOYZFVSA-N 417.443 0.961 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)n1 542837855 UFIAETNVVBJAEV-UHFFFAOYSA-N 421.458 0.321 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 546711298 IINUWAMXQOCIFE-UHFFFAOYSA-N 408.462 0.969 30 20 HCED COC1CCN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 553937318 QZPLTPBBHSXZPL-UHFFFAOYSA-N 419.530 0.260 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)NCCn1cnc(C#N)n1 554177386 UTURUYRXSYTILG-UHFFFAOYSA-N 412.454 0.368 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](CO)CC2)CC1 559455773 GSCQMSSNMNVXKN-KRWDZBQOSA-N 420.535 0.486 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H]1n1cccn1 568129749 MRISTLKHQSJUAJ-SCTDSRPQSA-N 417.491 0.910 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)cc1 568375207 XYFRSYYRGMEKHW-UHFFFAOYSA-N 419.485 0.660 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 568738333 CGLRBSFUISVCCW-AWEZNQCLSA-N 402.432 0.589 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)ns2)CC1 568803887 ZYRIQVJGVYOMDS-NSHDSACASA-N 412.545 0.561 30 20 HCED CN(CC(=O)N1CCC(c2nc(O)n[nH]2)CC1)S(=O)(=O)c1ccc(C#N)cc1 573192375 JJKUCARNTXLZEX-UHFFFAOYSA-N 404.452 0.409 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 577329069 FLOJNXNFYAOGTQ-LBPRGKRZSA-N 418.397 0.364 30 20 HCED C=CCOC[C@H]1NC(=O)N(Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1=O 583016569 YOHBXMXDIIVUHE-NVXWUHKLSA-N 423.491 0.767 30 20 HCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 589159272 LUVSGFXJOWNUED-UHFFFAOYSA-N 413.455 0.982 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCN(c4ncccc4C(N)=O)CC3)cc2)c1N 608925793 ZYTVQHUQIKIVPS-UHFFFAOYSA-N 416.445 0.782 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(N[C@@H](C(N)=O)c3ccc(C#N)cc3)cn2)CC1 609676750 RUQUCPYFSDGBRW-GOSISDBHSA-N 414.491 0.673 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cn2)c1 610748144 MFFBLJPYIUMXPU-HZPDHXFCSA-N 409.402 0.833 30 20 HCED CO[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 611943353 DOTGMZKXOUCFCH-GOSISDBHSA-N 420.535 0.892 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)N(C)C 684534548 ARNPSBRQUSZTFD-UHFFFAOYSA-N 412.515 0.901 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCc2cccc(OC)c2)C1=O 726043275 MNTQAKZBFLQXNL-GFCCVEGCSA-N 403.391 0.220 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 728608575 IFBIYSVZOXRWSU-UHFFFAOYSA-N 406.486 0.853 30 20 HCED NC(=O)[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(F)cc1 732465690 IWYDRIMNWLPLOP-LTRYHMRKSA-N 403.414 0.295 30 20 HCED N#C[C@H](C(=O)COCc1nc2ccccc2s1)C(=O)N1CCS(=O)(=O)CC1 732910247 NBUQYFQPXAAWIT-GFCCVEGCSA-N 407.473 0.779 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733830411 JDERNQVBHKNQBH-CQSZACIVSA-N 413.390 0.318 30 20 HCED C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC(=O)Nc2ccccc21 741344332 XJZMCQAFAUGKHS-ROHOOWMXSA-N 412.402 0.820 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](O)C2CC2)cc1 749696581 RVSKVINFVPAJJO-UFPHYQGISA-N 408.480 0.325 30 20 HCED O=C(CON=C(c1ccccc1)C(F)(F)F)NC(=O)N[C@@H]1CCS(=O)(=O)C1 751956176 ZCYRHTSZBZTJDQ-LLVKDONJSA-N 407.370 0.983 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2Cl)c1=O 758054279 KNYQUVCKFUTERR-ZDUSSCGKSA-N 415.902 0.851 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnnn1CC(F)(F)F 758516232 SOZIHSYPOOXDLU-SECBINFHSA-N 418.357 0.517 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(=O)Nc3cc(Br)ccc32)C1=O 761787545 QBGGJANLCPJSSS-UHFFFAOYSA-N 421.207 0.711 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1N1CCOCC1 763712608 HMJVDGCCNYOHFY-HZPDHXFCSA-N 406.508 0.485 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1nnc(C2CC2)o1 767625293 ATHWNVRNZJSYPA-JTQLQIEISA-N 419.419 0.667 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(CCC#N)CCC#N 767627671 AWNQJYBFKZTUQX-AWEZNQCLSA-N 417.447 0.424 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cc1 772587357 NZZWRLVHZACDSL-GOSISDBHSA-N 416.503 0.917 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(-c3nnc(COC)o3)c2)CC1 776707071 RZAQLZCCKMBJTE-UHFFFAOYSA-N 411.462 0.780 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@@H](C(=O)NC)C3)nc12 781574967 FZGVWDSOJNBBBU-OAHLLOKOSA-N 414.491 0.770 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 783015859 YBOMAPOMGWFKRC-DLBZAZTESA-N 414.572 0.609 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 784924537 FYGYMTRPMKPFOS-IBGZPJMESA-N 409.442 0.125 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCn2cnc(C#N)n2)C1=O 795182585 JWIPHRAUIQQGPY-GFCCVEGCSA-N 414.451 0.321 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2COC(=O)NC2CCCCC2)CCO1 796245947 OIQTXQDWRBPQEZ-HZPDHXFCSA-N 400.501 0.979 30 20 HCED CCc1ccc([C@@H]2CN(CC(=O)NCCC#N)CCN2CC(=O)NCCC#N)cc1 801558227 UGXIHEDVUVBMJY-FQEVSTJZSA-N 410.522 0.967 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c(F)c1 802572455 UHQGLQNZABHRFF-LJQANCHMSA-N 404.373 0.721 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1C#N 809504079 OVZNRHBYZMHATJ-GOSISDBHSA-N 400.479 0.896 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)n1 809542938 IFHNCGXDPRHGTO-GUDVDZBRSA-N 414.506 0.955 30 20 HCED CO[C@H]1C[C@H](c2ccccc2)CCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883155 CFIRAVQQVYNGOL-ZBFHGGJFSA-N 420.491 0.701 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@H]2CCCN(O)C2=O)cc1 816755066 SDDATKGCEUXJDC-INIZCTEOSA-N 411.480 0.786 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1F 838665751 URPOJEJTQDUCIM-UHFFFAOYSA-N 411.462 0.801 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(C)c2)c1=O 839286738 YICNTQXJMJNRGH-UHFFFAOYSA-N 417.535 0.489 30 20 HCED O=S1(=O)CCC(=NNC(=S)NCCN2CCOCC2)c2cc(F)ccc21 915925684 JUALRTODLYCTLM-UHFFFAOYSA-N 400.501 0.504 30 20 HCED COCCCn1c(S)nc2cc(C(=O)[C@@H](C#N)C(=O)NCCOC)ccc2c1=O 916890474 IJFLVRMUEBJRDY-CQSZACIVSA-N 418.475 0.807 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nnc3n2CCC3)C1 917122792 SJUAPGJZRROTSF-CYBMUJFWSA-N 414.491 0.669 30 20 HCED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920093244 QQKSPLBAHITLHO-INIZCTEOSA-N 413.455 0.852 30 20 HCED Cc1cc(C)c(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 1130815180 ONGSQTTUVXPDJD-UHFFFAOYSA-N 413.459 0.943 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CO)CN1CCOCC1 1213424558 LRRLZCZNBWNIAV-CYBMUJFWSA-N 404.286 0.292 30 20 HCED CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)o1 1292688422 PHLYGCBUTMIBJZ-KGLIPLIRSA-N 420.495 0.816 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOCC2(C)C)cn1 1298819009 QBRDCZLAHRTQRA-MRXNPFEDSA-N 400.487 0.518 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCc1c(C)nn(CCC#N)c1C 1317767503 FZOPYQUBPJCVRF-MRXNPFEDSA-N 423.539 0.498 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCC3CCN(S(C)(=O)=O)CC3)CC2)o1 1322757121 ZIGGVZVWZWANTD-UHFFFAOYSA-N 409.512 0.859 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)n1 1325015674 DWCNAIRXEHQILE-UHFFFAOYSA-N 402.503 0.173 30 20 HCED N#CC1(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCOCC1 1479560226 SNEDRISTTKWORX-UHFFFAOYSA-N 417.491 0.783 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1503832531 ZUQIXOCSYOJHGR-CQSZACIVSA-N 404.496 0.981 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1521114734 JSPOVBNAINCLON-YJBOKZPZSA-N 409.512 0.809 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1532907133 TWGNFSYGQLSOSN-VYDXJSESSA-N 413.430 0.864 30 20 HCED CCN1CCN(Cc2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1541041350 VSLJTTOXBRORCG-UHFFFAOYSA-N 424.505 0.665 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CO)c1 1541927919 RYDRHYZHEDQMNQ-ACJLOTCBSA-N 422.486 0.871 30 20 HCED C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1545146198 QAAMWTNFJNQNEJ-AUUYWEPGSA-N 417.491 0.591 30 20 HCED CC(C)(C)c1nnc2n1CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1559018663 MEZMOKZZYDSHTC-UHFFFAOYSA-N 402.480 0.768 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 1654013857 IYHHXLXMVKLFDR-UHFFFAOYSA-N 400.526 0.292 30 20 HCED N#CCc1ccccc1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1659599524 SPTZPASBKJAPEN-UHFFFAOYSA-N 412.471 0.803 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCC(=O)NC(C)(C)C 1692761290 JPHFBXUOBPQBAF-CHWSQXEVSA-N 413.548 0.931 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C1CC1 1723955125 WRLZRRSSNGKLLN-CYBMUJFWSA-N 416.511 0.816 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1761544947 NPYOZONCFFKVCT-CRAIPNDOSA-N 423.539 0.852 30 20 HCED CCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1767207748 NRNDXOLRKGDFGT-SJORKVTESA-N 423.477 0.756 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)C1 1770731977 SUWPGFMCSPUPLV-LJQANCHMSA-N 419.461 0.125 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778448270 SPWAQMHXOXIGCH-MGPUTAFESA-N 414.466 0.974 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4ON=C(c5ccccc5)O4)C3)C2)CC1 1778868616 NPGGPNWKPICJLQ-RXVVDRJESA-N 410.430 0.855 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779092833 UEPFBYSUCDJUAS-UTKZUKDTSA-N 409.527 0.459 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1779099690 KTOWJCOEJWHNKL-FGIMNINOSA-N 417.466 0.378 30 20 HCED Cc1nc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1779134507 HMPWAIIQWDLHKW-DKLCPLSMSA-N 401.423 0.463 30 20 HCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN(CCO)CCO)C[C@@H]21 1784034478 QUPFROQDTSXTRA-UFYCRDLUSA-N 423.554 0.021 30 20 HCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)c1cccnc1)CCO2 1784196306 RHMHGVXNVTXPDB-JOCHJYFZSA-N 412.490 0.835 30 20 HCED Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)no1 1784361736 IUZLVGNKYNEIKJ-NTUGGBQKSA-N 420.466 0.884 30 20 HCED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3Cl)C[C@@H]21 1784409095 VBOWDLNNFBNLEE-BPUTZDHNSA-N 418.881 0.941 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)CNC(C)=O)C[C@@H]21 1784477452 BMOLZCHEFSJDLU-DKIMLUQUSA-N 407.511 0.167 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784484465 CZYDZHVVHSVBBM-RJIZNPLWSA-N 404.511 0.476 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CCC)C[C@@H]21 1784485530 POOHKTZWQBBNAB-ADHGMGHFSA-N 407.511 0.309 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1784534485 DBMRWKCEWJQPEH-QXKUPLGCSA-N 420.597 0.601 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCF)cn3)[C@H]2C1 1785686727 JGRJIKDCKYUXLR-JKQORVJESA-N 422.457 0.967 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[nH]n3)C[C@@H]21 1788630291 YHIKDEJOTUSNSO-BQFCYCMXSA-N 400.479 0.702 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1789891415 YWAXFMLTQJFOQF-ZVZYQTTQSA-N 417.462 0.890 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCN3C(=O)C=CC3=O)C[C@@H]21 1790826143 PGJVBIOAEPFMFR-QZWWFDLISA-N 403.479 0.493 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3c(F)cccc3F)C[C@@H]21 1791078953 NKYOZRAIDSCVGG-JDFRZJQESA-N 406.385 0.575 30 20 HCED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145770 VRANEASIMMMJDS-BQFCYCMXSA-N 414.462 0.053 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN(C)C(=O)c1ccccc1 1793229949 MTVPHWOSXBOZCF-SCNOPHJPSA-N 405.520 0.667 30 20 HCED Cc1nc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C/N=C/c2ccco2)C3)no1 1794059078 ZYYAGHHOKFDVQK-IIPLXPACSA-N 401.423 0.222 30 20 HCED CC(C)n1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2CC2)C3)cc1C(=O)O 1794432206 VHYSEJYXJROKCU-CCWDJLKJSA-N 414.462 0.779 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C)nc1OC 1794578263 QLUCCCPJUGAAQD-JLVBRIDZSA-N 406.483 0.615 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1C(N)=O)C2 1797713938 DJAWCYPVBRUBOM-DACLVMHWSA-N 415.490 0.562 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(NC(C)=O)o1 1797745116 PFSWBJXGJORGGN-FRQROOTJSA-N 403.435 0.480 30 20 HCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ncccn1)C2 1797780600 DDCYELUHTRVLDV-UPHUGPLXSA-N 412.490 0.307 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cc(C)on1 1797826160 PNRAXUXTYJKAKN-ZSBFGKGUSA-N 422.507 0.222 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn(C(C)(C)C)nn1 1798705935 YNTDZGKVVQMSAM-PNBKFKSVSA-N 403.483 0.275 30 20 HCED Nc1nc2cc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ccc2s1 1800775639 AFAQDAXKLMQFID-DPIQGUFMSA-N 414.443 0.170 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)CN2CCSCC2)[C@H]1c1cccnc1 1802450377 UCMXHRVHBJZTTA-OXQOHEQNSA-N 416.503 0.224 30 20 HCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803458402 RPUXISFSWQFWMX-VGOFRKELSA-N 406.442 0.426 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@@H]1c1cccnc1 1803548929 PYTATYHGGKUNBX-ROWNIWSJSA-N 424.501 0.961 30 20 HCED CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803720663 RFYVANLRMJLDCI-VQIMIIECSA-N 414.462 0.338 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)C1 1806001539 GZWDYCQILUKXNY-DLBZAZTESA-N 412.552 0.937 30 20 HCED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)C1 1806011485 HZWVNDWKCWDMMM-INIZCTEOSA-N 420.510 0.799 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)Cn2ccccc2=O)[C@H]1c1cccnc1 1807443563 VCQWSNUTNYEXTO-IIBYNOLFSA-N 408.414 0.037 30 20 HCED C=CCOCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1815204789 IXAJWCHANKSCJF-GOEBONIOSA-N 420.514 0.977 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830057931 MKOLSUQJCNRSJZ-HNNRIZOBSA-N 422.482 0.522 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1830057999 OKDLYJVSLKTYDI-HXUWFJFHSA-N 415.450 0.026 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831219293 URCFGXLTWSMHQI-NRFANRHFSA-N 400.479 0.439 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3noc(C)n3)CCO2)C1 1832931738 ZIKUGFBMWLZYFZ-AUUYWEPGSA-N 423.470 0.178 30 20 HCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833489154 SKDLZQKOTMHCQU-HOTGVXAUSA-N 412.556 0.621 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccn3C)CCO2)C1 1834399595 YFHVLGXRQKTNPM-HNAYVOBHSA-N 407.471 0.291 30 20 HCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)(C)C 1835338571 LUYRWYCQRGGHRF-HRAATJIYSA-N 420.510 0.297 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837403627 WOHGMVZZHORFEJ-UWJYYQICSA-N 408.495 0.710 30 20 HCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1837434246 ZLJQOALYCFELQO-OAQYLSRUSA-N 414.462 0.386 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837639645 NUFDSJGBOZLUQC-VQIMIIECSA-N 423.539 0.290 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837790454 VGKJRULZKQPJHN-HNNXBMFYSA-N 419.526 0.996 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837906380 MJTLVIRYEVVYBS-IERDGZPVSA-N 421.469 0.864 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CO)o3)CCO2)C1 1837968595 CZHDPDBSQMTIOX-LAUBAEHRSA-N 422.478 0.415 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccnnc2O)CCO3)c1 1838374385 JVXAUYFJHALAEX-OAQYLSRUSA-N 423.429 0.438 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC4CCOCC4)C3)C2)c1 1838735130 WRZRHHPGXIGIHU-NRFANRHFSA-N 416.478 0.773 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379984 RKASWQCKFXASRB-OAQYLSRUSA-N 424.461 0.641 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839686240 NIMCNIPVMYHAJX-XNJGSVPQSA-N 404.485 0.323 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1840291701 ANEJECOLZTZIDJ-OAQYLSRUSA-N 407.511 0.551 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1840385331 GEBCEPQDHCDLDI-NRFANRHFSA-N 402.495 0.923 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842735479 YCFWHNMLEFFGFX-CABCVRRESA-N 420.510 0.938 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2cccn3c(O)nnc23)C1 1843316943 QONGLSLYMWVQOW-UHFFFAOYSA-N 423.473 0.951 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cnc(O)nc3O)C2)c(C#N)c1 1843352916 LWOMPNARVCXLCK-UHFFFAOYSA-N 423.429 0.828 30 20 HCED Cn1c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc2c1-c1ncccc1OC2 1846195431 OUZHFRPEIGWUJZ-UHFFFAOYSA-N 420.425 0.885 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412963 LBYOWQNDRWGQGY-NRFANRHFSA-N 405.495 0.975 30 20 HCED Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)NCCC#N)c(=O)[nH]c1C 1848321317 GCGZWLBMMMFFCN-GJZGRUSLSA-N 400.483 0.484 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCNC1=O 7418912 JYKJAQPCMJXZPG-FQEVSTJZSA-N 412.402 0.247 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)cc1OC 19016000 GGTFEONLXZGKOI-CQSZACIVSA-N 409.464 0.097 30 20 HCED N/C(=N/Cc1cccc(S(=O)(=O)N2CCCCC2)c1)NCCCN1CCOCC1 303969229 BPDQWMXMGGYAPP-UHFFFAOYSA-N 423.583 0.988 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CCO1 409486640 QDPRIBUWECJZOR-INIZCTEOSA-N 424.914 0.574 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 410143035 AOMLUGRIHZMTKO-KURKYZTESA-N 406.508 0.840 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)cc1 431191569 JKLVYZVJVPVWPK-LJQANCHMSA-N 423.517 0.910 30 20 HCED CCOc1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)cn1 438242280 BEBARHJHYLKFFG-UHFFFAOYSA-N 406.468 0.955 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 440192639 VXXPQNBAKSXUOG-HZPDHXFCSA-N 420.491 0.169 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1C(F)(F)F 442005766 SKHJKRWDXAGSAK-AWEZNQCLSA-N 411.384 0.972 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 443075507 ZNGWSJMFRRJILX-UHFFFAOYSA-N 420.494 0.123 30 20 HCED CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCO1 443477570 QWGJEGWGPKFMKF-CYBMUJFWSA-N 402.270 0.846 30 20 HCED CN(Cc1nc(C(C)(C)NS(C)(=O)=O)no1)S(=O)(=O)c1ccc(C#N)cc1 460642255 UMZXPSDCINKENM-UHFFFAOYSA-N 413.481 0.546 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)c1 465066177 QIOSOWJMRRURAN-GDBMZVCRSA-N 415.537 0.599 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 471759130 NITKIYXECKIXSG-HNNXBMFYSA-N 407.492 0.569 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)c1C#N 472082745 JAOWBDXKYCUWDN-RTBURBONSA-N 415.542 0.810 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCN1CCC[C@@H]1CO 476442432 GLJWTYGRWAFPNC-NVXWUHKLSA-N 408.524 0.578 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cnccn2)CC1 480105546 BMTVNKRASGDSOD-AWEZNQCLSA-N 400.464 0.364 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)c1 483135089 JUNLHUQHKJSEFS-UHFFFAOYSA-N 403.439 0.719 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2scc(C)c2C(=O)OCC)CC1 491105299 OHDCPMGCXBCQQE-UHFFFAOYSA-N 422.507 0.618 30 20 HCED COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCC1(CC#N)CC1 501512546 MMNQLBRXQCFJMK-UHFFFAOYSA-N 409.464 0.864 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 504124617 LMUUKJMWDJGDML-UKRRQHHQSA-N 413.521 0.651 30 20 HCED COCCN(CCN(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505503244 NIZLGGYBYUWEEG-QGZVFWFLSA-N 401.467 0.800 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508857706 PNRPHANLOJCCTF-UHFFFAOYSA-N 415.542 0.835 30 20 HCED CCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccnn2CC)c1=O 512734192 PEEKIUIIYJDBPP-UHFFFAOYSA-N 415.519 0.288 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 515548013 BLIRSGJBTALWED-KSZLIROESA-N 414.572 0.547 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)s1 521285773 DECFOKVPHYTNGU-UHFFFAOYSA-N 418.544 0.294 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 523132163 PFNHOHFPXCYLOH-GFCCVEGCSA-N 405.407 0.590 30 20 HCED CCOC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 534017846 FPVZKNBQFHORSQ-KRWDZBQOSA-N 423.491 0.885 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 537011332 NLCVDZMPFZBONS-CQSZACIVSA-N 407.496 0.227 30 20 HCED COC[C@H](C)n1ccc(=NC(=O)C(=O)N=c2ccn(-c3cccc(F)c3C#N)[nH]2)[nH]1 549794368 LZYCDAOWYWLQTH-LBPRGKRZSA-N 411.397 0.708 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3-n3cncn3)C2)nc1 556327921 ZLZVAGVEWPTGFK-CQSZACIVSA-N 404.390 0.547 30 20 HCED COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 558041561 PNFYZCVTNRGQHU-KRWDZBQOSA-N 419.501 0.819 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 560670373 SJYDBAMGCIDJQO-UHFFFAOYSA-N 422.526 0.735 30 20 HCED C[C@]1(C(N)=O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561785503 RVJDLPGUCUPNFB-XOBRGWDASA-N 401.442 0.506 30 20 HCED Cc1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1S(=O)(=O)NC1CC1 569131030 PDTLJKMKCXKXHS-UHFFFAOYSA-N 416.463 1.123 30 20 HCED CCn1cc([C@H]2OCC[C@@H]2NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 569634229 NNRUNQDVRHBNLF-FUHWJXTLSA-N 403.464 0.699 30 20 HCED COc1ncccc1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 571151187 SINVWKKQUPDYJC-QGZVFWFLSA-N 407.430 0.890 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)nc1 577478192 HAXKGAJPZILHHA-TZNWLIJBSA-N 410.430 0.485 30 20 HCED CC(=O)Nc1ccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 577644313 JDTLLPVVCRFCTQ-UHFFFAOYSA-N 420.473 0.919 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 579535214 DHQBWUQNISSPLO-UHFFFAOYSA-N 424.465 0.683 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)n1 580252094 OARDJYPQUZMLTP-AWEZNQCLSA-N 407.434 0.548 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN4CCC[C@H]4C3)C2=O)cc1 585725557 VCCUKFYIKQDLJD-WDSOQIARSA-N 409.490 0.913 30 20 HCED C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589128955 WQNZCBZKJLAOFD-SUMWQHHRSA-N 412.494 0.671 30 20 HCED COCCN(CCC#N)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCO1 589678655 UWRQBQQKOUZVJR-GJZGRUSLSA-N 414.532 0.824 30 20 HCED Cc1nc(SCC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c(C#N)c(C)c1C 603578007 AXTUKYAKPCFNFY-UHFFFAOYSA-N 411.553 0.921 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(NC(C)=O)cc2)c(=O)n1CC=C 603792368 ATXYYDKMYWENTD-UHFFFAOYSA-N 408.483 0.859 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 604483030 TZXSIOGBXJALEL-HNNXBMFYSA-N 402.480 0.696 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 615315155 GMDSZZKZENQPNT-KRWDZBQOSA-N 415.494 0.418 30 20 HCED N#CCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 619487529 NNPAQNRFLWNWPR-UHFFFAOYSA-N 410.477 0.577 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 619709773 PMFVSWQIRFSGDH-UHFFFAOYSA-N 404.514 0.279 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1 726312820 QOAQLEIPLCQNNW-KRWDZBQOSA-N 401.467 0.586 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 728532012 PHVPFTVXKDEBFE-MRXNPFEDSA-N 418.441 0.485 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NC2CCN(CC#N)CC2)CC1 730582621 HEOSXQXLNLGKSV-UHFFFAOYSA-N 422.530 0.791 30 20 HCED CNC(=O)NC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733829961 CHJNHYBWHDTGCE-ZWNOBZJWSA-N 401.379 0.151 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCCS(N)(=O)=O 744535540 WWJDTQCPYHHKCN-ZDUSSCGKSA-N 417.509 0.506 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1cccc(C#N)c1 745441506 HFBZSHAUWMTQHW-CGGOAGFTSA-N 411.414 0.979 30 20 HCED Cc1nn(C)c(C)c1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 746150882 QWLZVHUIJZOBKA-UHFFFAOYSA-N 405.436 0.369 30 20 HCED CCOC(=O)c1sc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)nc1C 750641386 TZUOOBDORWHDKR-SQFISAMPSA-N 407.452 0.954 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755187587 SVUADZCHLSGUPP-GFCCVEGCSA-N 412.443 0.057 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C)s2)c1=O 758088329 DUTLMTJCRSOSGW-UHFFFAOYSA-N 415.540 0.959 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2cccc(S(N)(=O)=O)c2)C1 758365224 TZYSDZAABGGIJF-HIFRSBDPSA-N 423.495 0.892 30 20 HCED CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccn(C)c3)c2=O)c1 763457773 GRDJAQIPZPHVMF-UHFFFAOYSA-N 408.483 0.885 30 20 HCED Cc1nn(C)c(C)c1NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767674870 GQNFUNLUWONEKM-GFCCVEGCSA-N 419.463 0.757 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)[C@H]1CCCO1 773791892 OTTUWIXGKJTAKE-HZPDHXFCSA-N 407.492 0.999 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1)[C@H]1CCCO1 773800764 VSRBACSIGBRICW-WOJBJXKFSA-N 412.490 0.586 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 774844075 ZLNRSKVCGVUVDL-UHFFFAOYSA-N 414.510 0.633 30 20 HCED C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1)[C@H]1CCCO1 775344628 ACISDCJKIJGHMZ-SOUVJXGZSA-N 424.475 0.906 30 20 HCED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 783413853 LEMXQDRWTROEBR-UHFFFAOYSA-N 414.505 0.922 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785662346 RDKYHCQZCOOAEI-FTRWYGJKSA-N 408.499 0.153 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)n1 789332633 UPLOADDSUCAVBK-OAHLLOKOSA-N 415.519 0.963 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cccc(OC)n2)c1=O 790427984 NJSJISNAOSZHME-UHFFFAOYSA-N 417.450 0.483 30 20 HCED COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 802337180 JTPRARLDWJIJGI-UHFFFAOYSA-N 410.482 0.754 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCN1Cc1ccccc1 804049929 GWFHZZLUNMBYJT-XUVXKRRUSA-N 411.506 0.202 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 805480485 UJZPWXXFGKCKRI-DTTOXWODSA-N 400.387 0.651 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1COc2ccccc2[C@H]1O 811577278 SUVXXZSZUYZIQS-ULFGMLNVSA-N 401.444 0.836 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 822879639 QYZFAJIGIMKBLU-GFCCVEGCSA-N 414.867 0.656 30 20 HCED N#C[C@@H](C(=O)CCN1C(=O)CCC1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 916989249 DDBDBCXQDOUOHK-JTQLQIEISA-N 416.346 0.552 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)c1nn[nH]n1 918757685 CATPDWIPLIKNQJ-MRXNPFEDSA-N 411.447 0.534 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1003082496 ZCJQWPDERZDQKF-OCABDXPQSA-N 403.483 0.120 30 20 HCED COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1116941019 QVSMVVRCSMPAHM-BZPMIXESSA-N 407.448 0.555 30 20 HCED CNC(=O)CN(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1136750903 NAUYEXXRFVEPKD-UHFFFAOYSA-N 423.351 0.614 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2c(C)cc(F)cc2C#N)CC1=O 1193729904 KODTVSJZKGABET-MRXNPFEDSA-N 412.487 0.463 30 20 HCED CN1CCN(c2ccc(C=NNC(=S)NCCN3CCOCC3)cc2F)CC1 1319135163 CMLKZZWZFYRWCK-UHFFFAOYSA-N 408.547 0.708 30 20 HCED Cn1ccnc1SCc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)o1 1343441453 DRGYDMUZMTYJEE-ZDUSSCGKSA-N 422.488 0.885 30 20 HCED CS(=O)(=O)c1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1Cl 1343444087 ZYKCJIWGWXRWOG-NSHDSACASA-N 418.880 0.323 30 20 HCED N#CC[C@H](C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 1444636948 JQPCJARYJPNTGL-ROUUACIJSA-N 418.519 0.131 30 20 HCED CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1468557860 PTSFUCLXKLRATA-UHFFFAOYSA-N 407.438 0.495 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCNC1=O 1644863594 PBPJIZXSSXHORW-AWEZNQCLSA-N 407.496 0.425 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCS(=O)(=O)CC2CC2)c1 1698486053 RNWGWZIPWMHHQF-UHFFFAOYSA-N 414.491 0.578 30 20 HCED C=C(Cl)Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1760380963 UOYPFIZIUYZROE-INIZCTEOSA-N 419.935 0.764 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1768297764 OEBVMEYIPCDTMY-QGZVFWFLSA-N 406.516 0.748 30 20 HCED 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MJHQOTSFTZGRQG-IIBYNOLFSA-N 409.527 0.960 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840168722 OATLZQVCYVQQRU-QHCPKHFHSA-N 416.518 0.945 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319114 QUPDHDKYEWSRBM-FQEVSTJZSA-N 409.483 0.567 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840446169 IPHHLZRSLIFILQ-SFHVURJKSA-N 409.512 0.044 30 20 HCED Cc1[nH]nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1F 1840813044 AIWLSCNFWJJLGL-LJQANCHMSA-N 405.430 0.621 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845771798 SPGDTGBVMFDFNU-UHFFFAOYSA-N 402.455 0.046 30 20 HCED CCOC(=O)N(CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)Cc1ccco1 1846197344 WHQHAXRNEWAGDV-UHFFFAOYSA-N 417.418 0.530 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1847802782 JZCQXLBFCNUWPM-YVSFHVDLSA-N 422.526 0.469 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)N1CCOCC1 18759634 OHLQLMQYXLYBIC-NRFANRHFSA-N 413.430 0.554 30 20 HCED C[C@@H]1CCC[C@H](NC(=O)CN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 303313141 GEPJBVGCEBTABN-MOPGFXCFSA-N 402.543 0.955 30 20 HCED CCN(CCC/N=C1/NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)S(C)(=O)=O 305047576 YQIAQFRTGXYFLQ-CQSZACIVSA-N 403.549 0.539 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)CCO1 409507866 BNGIRODAGBMUTB-STQMWFEESA-N 416.385 0.972 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 409591700 MOPGCSNLFTZEQR-LLVKDONJSA-N 401.470 0.750 30 20 HCED Cc1sc(NC(=O)CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c1C 427011202 DCWPWURWFMSMEU-LSDHHAIUSA-N 412.537 0.263 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 427358310 HLEIPLPTZNKGOP-UHFFFAOYSA-N 414.426 1.417 30 20 HCED CN(CCCNS(=O)(=O)c1cccnc1C#N)S(=O)(=O)c1cccnc1C#N 428376916 WLZNEKWPOSBDCR-UHFFFAOYSA-N 420.476 0.209 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1=O 440253180 GTNIYOZDRRJETE-INIZCTEOSA-N 400.435 0.767 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 440253916 JKKLNXRBGQCURP-INIZCTEOSA-N 420.491 0.311 30 20 HCED COCc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)c1 440393627 RWFOFBJKMMCGOQ-MRXNPFEDSA-N 413.499 0.391 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(C2CCOCC2)c1 441973149 BXQACJAGESJZCL-AWEZNQCLSA-N 417.495 0.796 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1sc(O)nc1C 442345310 FHVWJCTYTPDXEP-UHFFFAOYSA-N 423.476 0.370 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCNC(=O)c2cnccn2)c1 443477101 PGEZTEJSMMWDMK-UHFFFAOYSA-N 410.253 0.819 30 20 HCED CN(CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1)Cc1ccccc1 444575861 YWCQBUHNHSEFME-UHFFFAOYSA-N 423.521 1.011 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C 448114249 RISYQTVAPCBDJJ-UHFFFAOYSA-N 419.507 0.936 30 20 HCED C=CCCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 448379555 YZVDITCAGYEBSJ-CQSZACIVSA-N 411.480 0.783 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)nc1 448493998 CGIRIBAHIGCKCJ-UHFFFAOYSA-N 407.356 0.999 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2=O)n(C)n1 462096689 FXXVVOLQPJIMCZ-OAHLLOKOSA-N 419.449 1.416 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1 465328682 YQNZQISSSUKLFM-GOSISDBHSA-N 423.477 0.146 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1C(N)=O 465499591 ZNWGLWVCRGIWDK-ZDUSSCGKSA-N 400.464 0.655 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 471677215 GOBXOXVKRNWFMA-UHFFFAOYSA-N 418.479 0.219 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)C2)n1 471811695 PJBKAAPPIBDIHD-RDJZCZTQSA-N 420.539 0.510 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F 473014898 LNQNFRBQAKYLQS-ZDUSSCGKSA-N 422.428 0.612 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473398950 OZULAKQTHXMQKH-IBGZPJMESA-N 409.490 0.496 30 20 HCED CC(C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCOCC1 480427789 OQUYHIATEHNARS-CRAIPNDOSA-N 408.524 0.698 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)C[C@H](C)C2)CC1 481015464 PCXBRTCQFWAPGY-ROUUACIJSA-N 421.586 0.306 30 20 HCED C=C(C)CNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 490031129 ZVCFGQRPYKQZAU-UHFFFAOYSA-N 411.462 0.747 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 492210515 XRHXMKUADBDINQ-GJZGRUSLSA-N 407.492 0.905 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 499343343 MLZLQNOQRQAJFD-UHFFFAOYSA-N 406.508 0.915 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)C2=O)cc1 502295110 WBJLSMQQDLMCLW-BZSNNMDCSA-N 423.473 0.045 30 20 HCED C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 504024104 UKHPLXUGUVKDGV-LSDHHAIUSA-N 421.519 0.799 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 507839753 YSWHJRBNPVDXRX-MRXNPFEDSA-N 409.494 0.723 30 20 HCED C=CCn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508734839 SYSWUGDIUNZTPY-UHFFFAOYSA-N 408.466 0.598 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 509248260 NQBQUASWMRXIFX-UONOGXRCSA-N 412.516 0.444 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)C1=O 510260492 VARUJUTXTNLYHA-UHFFFAOYSA-N 422.463 0.632 30 20 HCED N#Cc1cccc(OCCCCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 517670467 WFKMGYWLZMYYHS-MOPGFXCFSA-N 421.519 0.721 30 20 HCED CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2c(C)cnn2C)c1=O 520854721 SXQIUEXSIRUFHZ-UHFFFAOYSA-N 407.499 0.752 30 20 HCED C=CCOc1cccnc1C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 537170770 UVVINDLKWBRSBZ-UHFFFAOYSA-N 415.538 0.957 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1 540476109 IYQSUWSBJPYOJQ-GJZGRUSLSA-N 422.507 0.321 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)c1 540879725 CTRXQMSZFOVUJT-HNNXBMFYSA-N 409.508 0.860 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cccc1C(N)=O 541154652 JZWIIXLQWXEQAZ-UHFFFAOYSA-N 408.418 0.348 30 20 HCED CCOC(=O)c1cnn(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1C#N 546797727 AEIHKTTZOPUBKV-KBPBESRZSA-N 424.479 0.126 30 20 HCED N#Cc1ncn(CCNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)n1 552682642 ABJMUCGLSCUSNI-UHFFFAOYSA-N 412.269 0.643 30 20 HCED CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 553569193 ZPPFOSXJEISCQH-UHFFFAOYSA-N 411.506 0.577 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCOC[C@@H]3CCCO3)C2=O)cc1 557116815 CZOWFPMYDCRSRF-ROUUACIJSA-N 414.462 0.482 30 20 HCED CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561707918 UMQBSQPJXDIGQX-FHWLQOOXSA-N 412.490 0.785 30 20 HCED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 564082575 WCHDVGMFBFKFBV-LPHOPBHVSA-N 402.495 0.759 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 583285925 VYIBLOBOJLXKFX-UHFFFAOYSA-N 408.543 0.488 30 20 HCED Cc1nc([C@@H]2COCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 611536669 PCXCKUCVOKCSSR-AWEZNQCLSA-N 405.436 0.702 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1 615256297 KRIQBUGRIDMAMV-UHFFFAOYSA-N 412.443 0.594 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1=O 726042893 NXZFGJOQSJZNNK-UHFFFAOYSA-N 405.363 0.121 30 20 HCED CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 727645735 BNAYFSXCWFUWGC-ZDUSSCGKSA-N 424.548 0.931 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 730281701 SQBFZOVKOMUNKZ-SJORKVTESA-N 406.527 0.964 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCCn1nc2ccccn2c1=O 737335548 NLKXMPIOUSQYJI-UHFFFAOYSA-N 415.431 0.168 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745354047 RPXPJEDLXJVXIR-YPMHNXCESA-N 413.500 0.255 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)Nc1cccc(C#N)c1 745441511 HFBZSHAUWMTQHW-WQNIFXPLSA-N 411.414 0.979 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C(=O)NC1(C#N)CCCCC1 745585373 DMWXSOQMZVHABJ-CYBMUJFWSA-N 421.475 0.834 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)Cc1ccc(F)cc1 748368349 HXQVLDVCXGSTQK-CQSZACIVSA-N 405.451 0.832 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COCC(=O)NCc2cccnc2)[C@H](C#N)C1 756885134 KLHWAUMKEDZAIB-HZPDHXFCSA-N 417.466 0.590 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2C)c1=O 758069249 OCIDFPKWQGZQGJ-CQSZACIVSA-N 413.474 0.645 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)C1 758758480 IGBKSONGYMUQLN-JSGCOSHPSA-N 400.501 0.964 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncc(F)cn2)CC1 759322727 KAPQMEKKQWYGST-UHFFFAOYSA-N 404.427 0.003 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760376912 WYEDJJNEVDCRAC-UHFFFAOYSA-N 420.922 0.942 30 20 HCED COc1cc(CN2CC(=O)N(CCN/C(O)=C3\N=CC=CC3=O)C2=O)cc(OC)c1 761272026 FLCGUZPOWYIZDZ-VHEBQXMUSA-N 414.418 0.994 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)[C@H](C#N)C1 766832747 WOMWDMFOSOLEIC-CQSZACIVSA-N 416.500 0.515 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 767681974 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HCED C#CCn1ccc(CN(CC)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)n1 788859350 KMMNOABELMKBQF-UHFFFAOYSA-N 422.489 0.820 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)c1 790930755 DEGWLQRGTTXDLV-AVYPCKFXSA-N 404.467 0.783 30 20 HCED Cc1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc(N2CCCC2)n1 795069355 OJCHBWHJHGSVOW-UHFFFAOYSA-N 414.491 0.740 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 799285259 AYAXOXKDVDFVLF-INIZCTEOSA-N 407.492 0.690 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801283423 HSYXQYWMRROLAJ-HNNXBMFYSA-N 424.486 0.841 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)NC(=O)OC(C)(C)C 804044123 RNVNCYWSVHUXKA-AWEZNQCLSA-N 416.482 0.631 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2nc3ccccc3s2)CC1 804168291 YAXLFNZZNLTYTP-CQSZACIVSA-N 415.519 0.920 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)n1 809539047 MNKBXLYIWLJRHU-KZNAEPCWSA-N 400.479 0.565 30 20 HCED COc1cccc([C@@]2(C)NC(=O)N(NS(=O)(=O)c3cncc(C#N)c3)C2=O)c1 810079317 CBEJEXDLNVJKCP-QGZVFWFLSA-N 401.404 0.622 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CCN1C1CC1 810364062 MDBUHUMULFQGAO-CYBMUJFWSA-N 421.404 0.567 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 810988487 QQMUGTFIRQJENY-UHFFFAOYSA-N 419.550 0.921 30 20 HCED Cc1sc2ncn(CC(=O)NS(=O)(=O)c3cncc(C#N)c3)c(=O)c2c1C 813980654 FOENHHQIIKXIQU-UHFFFAOYSA-N 403.445 0.847 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCc1c(N(C)C)n(C)c(=O)n(C)c1=O 814062076 DRODHNYOMTZKQD-UHFFFAOYSA-N 415.450 0.415 30 20 HCED O=C(CS(=O)(=O)Cc1cccc(Br)c1)N[C@H]1CCCN(O)C1=O 820471358 TYHCXOQNESQVPZ-LBPRGKRZSA-N 405.270 0.860 30 20 HCED C/N=C(/NCCN1CCOCC1)NCCN1CCN(c2ccc(OC)cc2)CC1 849067469 HEVPGBGYVGATIJ-UHFFFAOYSA-N 404.559 0.314 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N([C@H]2CCS(=O)(=O)C2)C1=O 914550267 NNTJLYOAYUKWDJ-JSGCOSHPSA-N 411.505 0.950 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 914654541 VOHAOJBSJIJBCK-AHXJXLJNSA-N 413.496 0.008 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)n1 914907167 UVUIPJCHXSCZFF-CYBMUJFWSA-N 408.461 0.935 30 20 HCED C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2OC)CC1 942128158 IPJDDMIKAMXONS-YBRIYBKASA-N 401.507 0.097 30 20 HCED Cc1ccc(C#N)c(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)n1 1051480579 RYCKILZDWBNZBD-KNEKCZJMSA-N 405.462 0.823 30 20 HCED CC(C)N1CCN(C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)CC1 1295952281 XDALTCRFVOAYNO-UHFFFAOYSA-N 402.499 0.228 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1299112073 WYCJYMUIHYWNQL-UHFFFAOYSA-N 405.466 0.956 30 20 HCED CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C)[C@H]1CCS(=O)(=O)C1 1314683480 MEXNMVKKEDSNGN-HNNXBMFYSA-N 412.479 0.617 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCCN3C(=O)NC(C)(C)C3=O)CC2)o1 1338398953 GBUUDQWLBYRAHQ-UHFFFAOYSA-N 402.455 0.908 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)CSCC(=O)NC[C@H]2CCCN(CC#N)C2)C1 1341760311 QETTVONRHWCCJC-HDICACEKSA-N 420.583 0.423 30 20 HCED COC(=O)CN(CC(=O)OC)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435044253 SVMOTXHDACFRCR-LBPRGKRZSA-N 407.810 0.739 30 20 HCED CC(=O)NCCN(Cc1ccc(C)s1)C(=O)CCn1cc(C#N)c(O)nc1=O 1467390294 VTGRPICFDVIOOO-UHFFFAOYSA-N 403.464 0.746 30 20 HCED Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1511888138 CSQCCXXUBOLUAE-OALUTQOASA-N 414.558 0.706 30 20 HCED CN1CCN(CCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1517423184 TYNIVCXEPIJCDZ-MRXNPFEDSA-N 411.514 0.490 30 20 HCED CNC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1517591476 NOCUPURDOWXVLM-UHFFFAOYSA-N 406.454 0.797 30 20 HCED C[C@@H]1C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1543710449 KAGFYJJYLPKNGD-WVZRYYJFSA-N 412.491 0.709 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n1C1CC1 1559453220 UUNRZHFRMJYGQL-UHFFFAOYSA-N 417.466 0.604 30 20 HCED N#Cc1ccc(OCC(=O)N2CCN(S(N)(=O)=O)CC2)cc1Br 1589101190 YZYQVCKMBKEKPG-UHFFFAOYSA-N 403.258 0.047 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1616924314 OTSNSIARLBGVCX-WMZOPIPTSA-N 403.531 0.712 30 20 HCED C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cccc(OCC#N)c1 1617233145 QMPRCOFUUYNOSQ-LRDDRELGSA-N 409.489 0.995 30 20 HCED COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCOC1 1619453255 MOYZVWINRSTJSW-FOIQADDNSA-N 415.450 0.746 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1 1665381069 LEFHMVDFDZJKFJ-IUCAKERBSA-N 418.269 0.665 30 20 HCED CS(=O)(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1698293297 ZKRDTJVGHFJXBZ-UHFFFAOYSA-N 400.464 0.330 30 20 HCED N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCC(O)CC2)c1 1698486668 PAUAIXJACQAVHM-SFHVURJKSA-N 423.521 0.975 30 20 HCED CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1706872034 VRJCTSPBBAYCMJ-APHBMKBZSA-N 402.496 0.737 30 20 HCED 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CC(=O)N/C(C)=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1800173017 JWZOFJBZYOWMHA-ZELQEXKKSA-N 402.451 0.328 30 20 HCED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H]1CCCS1(=O)=O 1800389722 BUKJPHGXSHGOMR-XMTFNYHQSA-N 410.536 0.922 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(Cl)cc(Cl)n1)C2 1800778031 SNYLHAFJQURMPT-WRBXQSRGSA-N 412.229 0.680 30 20 HCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](COC(C)=O)OC(C)=O)C2 1801167184 VVSQBNGWTITDNH-DMUMMCEESA-N 422.478 0.264 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COC)C2 1802125365 VQYVXVBZZZJLMR-JYYAWHABSA-N 409.483 0.139 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1803913432 NTCCWMFVZVKBDU-UZLBHIALSA-N 423.473 0.952 30 20 HCED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806088727 NLIYLESQVBBKND-JXFKEZNVSA-N 420.473 0.755 30 20 HCED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1809604622 IRSVGMRBLFGYQT-KVSKMBFKSA-N 405.568 0.653 30 20 HCED N#CC1(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)c2cnc(O)nc2O)CC3)CC1 1814470193 MGWFJKIORFYEPL-QMMMGPOBSA-N 400.420 0.874 30 20 HCED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)[nH]n1 1815653395 CNRGUFLLQHXIMQ-GXTWGEPZSA-N 408.528 0.914 30 20 HCED C=CCSCC(=O)Nc1cc([C@H]2CCCCN2C(=O)C[C@@H]2NC(=O)NC2=O)[nH]n1 1815655040 CXVUCMOKHCAJNH-QWHCGFSZSA-N 420.495 0.919 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)/C=C\C(=O)NC3CC3)sc2C1 1819523714 YOXLQJDMHHJVTP-WXRQEABKSA-N 416.503 0.928 30 20 HCED O=C1C[C@H](C(=O)N[C@@H]2CCc3nc(NC(=O)C/N=C/c4ccco4)sc3C2)CN1 1819956903 LITITIBUACXOGC-MMSPSYRCSA-N 415.475 0.903 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1822922652 XXADRCUSVLDKHX-YPMHNXCESA-N 420.491 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)CC=C)C2)C1 1831402001 LLPBBEHOYZOOHZ-MAUKXSAKSA-N 400.422 0.693 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1831419726 PRSOBBBVXRSDGV-OPYAIIAOSA-N 409.527 0.518 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1831421023 DDVVHCIVGKIPCM-LIRRHRJNSA-N 410.446 0.518 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1831427554 SHCCYSVDQFMZDT-KDOFPFPSSA-N 410.496 0.508 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)[C@@H](O)C=C)C2)C1 1832456589 SZVQKYDVOOTEGJ-JXFKEZNVSA-N 412.552 0.935 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1832657904 PTTOTKCHSZKAKP-NRFANRHFSA-N 420.462 0.902 30 20 HCED NC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC2(O)CCCCC2)CC1 1832936944 GIEVLUVOPFTFDL-GOSISDBHSA-N 418.538 0.973 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@]3(C)CCCN3)CC2)CC1 1833467479 UPVYSNRDFBBKOL-VGOFRKELSA-N 404.555 0.738 30 20 HCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1F 1833487321 GOFAYZBKIMXXGO-SGTLLEGYSA-N 413.471 0.618 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CNC(=O)OC)CC2)CC1 1833707578 FDRVMDQGXNFASY-UHFFFAOYSA-N 412.556 0.833 30 20 HCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)S)CC3)CC2)n(C)n1 1833956021 QRLUIYSHWWCDNX-ZDUSSCGKSA-N 409.556 0.932 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccon1)CCO2 1834486766 XBUHCJJHJODKMR-LKQKOTCASA-N 402.407 0.457 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccccc3)C2)C1 1834767284 DGFNZEHUWZPJSV-OAQYLSRUSA-N 414.462 0.177 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cc3cscn3)CC2)CC1 1834840880 FCCCHFGSNMPVJL-UHFFFAOYSA-N 404.492 0.345 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4ccc(F)nc4)C3)C2)CC1 1835340824 HDLPABWOJGTOTQ-OAQYLSRUSA-N 416.453 0.913 30 20 HCED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1n[nH]cc1[N+](=O)[O-] 1835867182 PLLMRWPMSGLLRK-UHFFFAOYSA-N 414.466 0.917 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccccn4)CCO3)C2)c1 1836191796 VQCCGLYUVTVCEX-NRFANRHFSA-N 409.446 0.594 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1837306165 VNNCUCOKNKSYSX-APWZRJJASA-N 414.524 0.256 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1837393310 OSYVVJMIWFRXGR-SPEDKVCISA-N 424.538 0.975 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837443792 REEXMJLEGGLZTR-NVAXRVGSSA-N 416.482 0.018 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560292 UYNTXRYRVDHQCZ-SZSKVCQJSA-N 407.467 0.437 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4CCCC4=O)CC3)CC2)CC1 1837790947 SKQQADGCJDOFMI-UHFFFAOYSA-N 402.495 0.911 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n(C)n1 1838042352 XCXZWCFGVKGGNP-FQEVSTJZSA-N 401.467 0.356 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4c(O)cc(O)cc4O)CCO3)C2)CC1 1839372386 XRWQIIMPDSXLBU-FQEVSTJZSA-N 417.418 0.177 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1840160882 WZQJXFYQVYJGIJ-APPDUMDISA-N 412.537 0.804 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840163459 HQOJUOACGRPEKN-KZULUSFZSA-N 405.480 0.346 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn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c1cccnc1 1848138704 RJSNXASBEDXPOM-PVAVHDDUSA-N 401.467 0.814 30 20 HCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 7895412 FFAGHQHYNUMTHG-UHFFFAOYSA-N 400.840 0.267 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)C[C@H](C)O1 14143370 VAPGUFOISJMBFU-STQMWFEESA-N 404.452 0.586 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3COCCO3)nnc12 54614133 FCGVSIHNIHUVPS-ZDUSSCGKSA-N 415.475 0.854 30 20 HCED C=C(Br)CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 109224099 BGKOSVXYWJAULM-UHFFFAOYSA-N 402.270 0.446 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)c1 139283308 DQOAEJYYSLAQMX-AWEZNQCLSA-N 401.510 0.305 30 20 HCED CN([C@H]1CS(=O)(=O)c2ccc(Cl)cc21)S(=O)(=O)N1CCO[C@H](C#N)C1 409497014 AQEIASYWGZHGII-YPMHNXCESA-N 405.885 0.569 30 20 HCED Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cn3cnc(C#N)n3)C2)cc1 426425288 AMFWQPVAYNXUEX-OAHLLOKOSA-N 402.480 0.675 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC1 428237212 ANMACFJGDQLJQB-UHFFFAOYSA-N 411.465 0.253 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CCC2)c1=O 430974977 HBRKTWJPJRATLU-UHFFFAOYSA-N 413.503 0.213 30 20 HCED CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 434763289 FDIUQYKXYLSTLL-UHFFFAOYSA-N 404.430 0.759 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c(=O)n2C 436359428 LYTHDLYPHVTSJG-HZPDHXFCSA-N 406.446 0.732 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3ccc(OC)c(F)c3)CCOCC2)C1=O 436460339 VFTADSBYKITWEY-UHFFFAOYSA-N 419.409 0.933 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)cc1 442348077 KHMHXCRTKDPCLN-UHFFFAOYSA-N 409.449 0.062 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN([C@H](C)c3nccs3)CC2)nn1CCC#N 467518807 NRIBQXSIOQGMDE-CQSZACIVSA-N 401.496 1.406 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1nnc2n1CCCCC2 480463140 RUBDBFNPTFUNNE-AWEZNQCLSA-N 416.507 0.902 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1=O 480967810 SFSHXUOKJWYHDO-WFASDCNBSA-N 422.463 0.658 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 480968391 FQNSLQXNHWAHDK-TZMCWYRMSA-N 414.509 0.918 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 480985755 VOPQAZXLGHKVTN-UHFFFAOYSA-N 403.214 0.718 30 20 HCED C[C@@H]1OCC[C@H]1N(CCO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 485196008 UVXIEBGDNRDEPN-SWLSCSKDSA-N 401.398 0.820 30 20 HCED COC(=O)c1cn(C2CN(C(=O)[C@@H]3CCCN(c4nc(C)ccc4C#N)C3)C2)nn1 500037951 NFFAHVBFPJMZOC-OAHLLOKOSA-N 409.450 0.940 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 502376563 OMJQHIZDDLJLDK-NUJGCVRESA-N 400.545 0.556 30 20 HCED N#C[C@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1ccc(F)cc1 502747055 CSFOHESIECPHIW-ZDUSSCGKSA-N 404.379 0.762 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1 505013401 KCVCGTDXFLHXCW-MRXNPFEDSA-N 405.480 0.712 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 505408986 MSTSBGWNIIJIKW-QGZVFWFLSA-N 402.426 0.804 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1 508351926 YHEFYYASTVVQGH-SWLSCSKDSA-N 406.464 0.578 30 20 HCED C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2CC)c1=O 512761473 BYEPPZKOADVAJJ-UHFFFAOYSA-N 406.471 0.849 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 516122820 BHCRGWGGIOUSNX-QAPCUYQASA-N 407.492 0.520 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cc(S(C)(=O)=O)ccc1F 535550147 WBNNLBPBQALZOF-UHFFFAOYSA-N 408.459 0.909 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 544334995 AWYNQCCQMHUUBG-UHFFFAOYSA-N 421.479 0.933 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 545942623 UDTVBLKTJDAIQH-UHFFFAOYSA-N 406.468 0.524 30 20 HCED C=CCCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 550083170 VLUIFRKZJXOTLX-UHFFFAOYSA-N 409.508 0.796 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)C2)nc1 551066257 NCVRUCJHQMUIBM-CQSZACIVSA-N 407.386 0.903 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CS(C)(=O)=O)CC1 554084924 WEESXQMMFROPPJ-CYBMUJFWSA-N 413.521 0.508 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCO[C@@H](C(CC)CC)C2)CC1 554683965 OWWKHZFLIQLAPB-QZTJIDSGSA-N 408.543 0.533 30 20 HCED CN(CCc1cnccn1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 554691291 DHUFUKIGRQBWDQ-SFHVURJKSA-N 406.446 0.661 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C(CC)CC)N2CCOCC2)C1=O 559592267 KYVWWMQPBGNLEJ-MSOLQXFVSA-N 408.543 0.485 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 562025178 USCJDZURZXQGES-INIZCTEOSA-N 424.509 0.854 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2=O)n(C)n1 564624726 VMNVDGUDFGLOPB-MRXNPFEDSA-N 408.466 0.632 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1 588289584 CJANIOPFNTZPDK-TZMCWYRMSA-N 415.493 0.386 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 609458555 VBUQLEJBBNKLJA-OAHLLOKOSA-N 410.496 0.606 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 615253935 LHFWHGPMYORTDX-UHFFFAOYSA-N 417.466 0.284 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3cnccc3c2)c1=O 618638064 GIANTQUXBHWDAM-UHFFFAOYSA-N 420.494 0.910 30 20 HCED COCCn1cc(C(=O)c2cc(F)ccc2OCc2nnn(C)n2)cc(C#N)c1=O 685579009 QGEXIZFGRCZEJK-UHFFFAOYSA-N 412.381 0.839 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1 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HCED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)N[C@@](C)(C#N)C2CC2)C1=O 750967295 LJBXMPYRYLJJGP-RBUKOAKNSA-N 408.422 0.238 30 20 HCED CC#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 756143909 XJHBBXDPALKJMY-JBXOJTMHSA-N 412.533 0.910 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 756232993 YUJXMCVXQLOLGI-DFEHZGFQSA-N 407.426 0.560 30 20 HCED C=C(C)[C@@H](CC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)OCC 756471597 RTKDLUXHWRKBDQ-HZPDHXFCSA-N 402.513 0.232 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C)cc2Br)c1=O 758052436 QOGREUBZDXLDDZ-UHFFFAOYSA-N 416.300 0.863 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnc(CC)s2)c1=O 758076389 HGKSSJJQOASNIP-UHFFFAOYSA-N 400.529 0.981 30 20 HCED C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C(=O)N1CCCCC1 762727075 PWNBESZSPQHKCO-LHSJRXKWSA-N 411.462 0.842 30 20 HCED COC(=O)C[C@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCOC1 770159550 DRPBBYQTQQCHRL-GOSISDBHSA-N 409.464 0.721 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 773560443 RLQGGIKYZGMVJT-ROUUACIJSA-N 407.492 0.892 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)[C@@H]1CCCO1 773807493 YAZFGRUDQKBAIT-SJORKVTESA-N 405.476 0.705 30 20 HCED N#Cc1cc(Cl)ccc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 775620851 TYBCRYUCOOUSMH-MRXNPFEDSA-N 417.940 0.846 30 20 HCED CC(C)(C)OC(=O)NCCCCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 781803603 MOTAJTNUPQBKNP-ZDUSSCGKSA-N 401.485 0.647 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 783349723 AJFZPAFMILKAMY-UHFFFAOYSA-N 408.524 0.090 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 791177981 HXTVUMBMIVXUSH-UHFFFAOYSA-N 409.471 0.827 30 20 HCED C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794306913 QLXAKXBDRLCAPA-TYILLQQXSA-N 407.492 0.910 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CC(=O)OC)c2C)c1 797055028 PTTXTPHCPMADNT-UHFFFAOYSA-N 411.418 0.381 30 20 HCED N#CCNC(=O)CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 805248064 URGKXROUKIWHCB-UHFFFAOYSA-N 408.358 0.298 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCc1ccccn1 805962146 NPZKZHREEIEQKD-ZIAGYGMSSA-N 416.459 0.868 30 20 HCED COC(=O)C(C)(C)CS(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 811136015 SEVACOIDONBNBM-UHFFFAOYSA-N 412.468 0.716 30 20 HCED Cn1nnc(Br)c1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 811453773 QUFSXXJIBREFAR-GFCCVEGCSA-N 403.240 0.980 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274176 WYWQCHWPBKUAMR-UHFFFAOYSA-N 405.430 0.549 30 20 HCED C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 818593060 JPSOYXMXEVDMKT-WBVHZDCISA-N 413.927 0.535 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N(CCC#N)CCC#N)cc1 843482424 XHSUXFMUZZNBCU-HNNXBMFYSA-N 406.464 0.861 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC(=O)N2CCCC2)cc1 856434007 KZAAETHMGQNUSP-UHFFFAOYSA-N 409.464 0.046 30 20 HCED COC(=O)[C@@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 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HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCCS1(=O)=O 1801513577 SAKNRMINMLZROQ-MMCKJEIKSA-N 409.508 0.060 30 20 HCED CC(C)NCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991220 IWMNENBASALKNH-OPMZPASUSA-N 414.506 0.915 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cccn1)C2 1801992708 RDRHBWHUUBHSKN-UPHUGPLXSA-N 409.446 0.423 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2cc(O)n[nH]2)[C@@H]1c1cccnc1 1802480259 FLBPDJNVOSGDHJ-JTTZZOPQSA-N 424.461 0.688 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC=O)C2 1804378312 MQTDEDFXUAUONH-KSWRQPAISA-N 420.510 0.676 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC2(CCN(C(=O)[C@@H](C)n3ccnn3)CC2)C1 1804858189 UILAMVYPWXTXRK-KEGWNNHHSA-N 414.510 0.929 30 20 HCED N#CCC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@@H]1c1cccnc1 1806284770 BKYXXROYYVWEBF-DNVCBOLYSA-N 421.461 0.645 30 20 HCED O=C(C#Cc1ccccc1)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1806618436 BCSRXQPWTOLKRA-BESBDSHLSA-N 418.497 0.862 30 20 HCED Cn1nncc1C(=O)N1CC[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807143755 XKYLKBQVPJIUPE-WMZOPIPTSA-N 424.509 0.812 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)[C@@H]1c1cccnc1 1812645934 NWOKEQPRVSGVGG-RGCFKVTRSA-N 400.479 0.650 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825667882 ZNLFXWGLCSMVNH-QWRGUYRKSA-N 402.436 0.071 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1830057475 FIAWKCPFHNFJMF-GCJKJVERSA-N 413.474 0.996 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831125387 PCJASYQLHCJSDD-IQTGRTGDSA-N 419.478 0.770 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831174687 GLCRTGSEVQZCPT-DNVCBOLYSA-N 413.540 0.277 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1C(N)=O)CCO2 1833316567 UQIFPKAFOYDTEH-NRFANRHFSA-N 414.462 0.054 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833881134 IFRYRRGHRNMJFM-UZLBHIALSA-N 403.483 0.654 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3C)CCO2)C1 1834420890 SEDDUBZXEIBNNO-OXQOHEQNSA-N 406.483 0.390 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3nnc4cc(C)nn4c3C)CC2)CC1 1835339616 BPEDCWFRIHGRAS-UHFFFAOYSA-N 409.494 0.560 30 20 HCED Cc1cc[nH]c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672712 IODLUAZSUJVJRH-OAQYLSRUSA-N 417.510 0.675 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ccc[nH]4)CCO3)C2)c1 1836013815 DJTZQTFCIXPUNH-NRFANRHFSA-N 411.462 0.917 30 20 HCED C[C@@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(C#N)cc3)CC2)CC1 1836288032 KXEIFCYTRUHDDU-MRXNPFEDSA-N 411.506 0.878 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1836508228 QRLWRGBXUBOJMJ-GOSISDBHSA-N 405.411 0.191 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836855770 DQCGAMKZKKUDAZ-PBHICJAKSA-N 407.467 0.132 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1836856905 BQCGXEGAXPCYNC-INIZCTEOSA-N 403.483 0.315 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCNC(=O)C3)CC2)CC1 1836861631 GCGODAUVXZUDSX-IRXDYDNUSA-N 419.522 0.550 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccn5ccnc5c4)CCO3)C2)CC1 1836983665 ANPRTSPHELGFFN-OAQYLSRUSA-N 409.446 0.708 30 20 HCED CC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441756 CRCWCUQVZPARJO-NIQDBXHUSA-N 402.442 0.570 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC4(O)CCC4)C3)C2)c1 1838908519 FIOPRSLLKNUXAP-JOCHJYFZSA-N 413.474 0.933 30 20 HCED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839185965 UBYUIRRAXVQUBE-RXVVDRJESA-N 419.453 0.467 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839228530 GNUHUCSOWJBRGY-KNBMTAEXSA-N 411.499 0.859 30 20 HCED CC[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839418911 AVMOFBVLXTVYLR-FXAWDEMLSA-N 405.426 0.538 30 20 HCED Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)ccc2n1 1839504492 JLVYIKUMVFWYSC-NRFANRHFSA-N 411.462 0.947 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCC3(CC1)OCCO3)CCO2 1839773455 SFYKQARIHXMNDH-LJQANCHMSA-N 407.467 0.290 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1839806707 IPKQPKUQSNKPCL-LJQANCHMSA-N 400.460 0.582 30 20 HCED COc1cccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840159056 WLEINLJSNWIWPO-FOIQADDNSA-N 423.535 0.798 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncc(O)c4)C3)C2)CCC1 1840816444 SWQAVJAZDYATPQ-FQEVSTJZSA-N 400.435 0.551 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)[C@@H]1SC(=N)NC1=O 1843404539 TULGWQBXZKGWLI-STQMWFEESA-N 420.539 0.274 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1844386026 FSMIOXZNKCMLQF-SFHVURJKSA-N 416.453 0.594 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1 14143407 SLYQHLVZXHAPCR-UHFFFAOYSA-N 410.459 0.836 30 20 HCED CN(CC(=O)N1CCN(c2cnccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 25344182 QRKLSITZOMGXID-UHFFFAOYSA-N 400.464 0.318 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)c1 52115686 KXGWVFQEDLNYCK-UHFFFAOYSA-N 401.510 0.258 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 108862148 TWCUOJVLXPIVJU-UHFFFAOYSA-N 418.435 0.586 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)CCO1 409512562 JJRKPBORRSCQDN-SMDDNHRTSA-N 418.397 0.647 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)N(C)C[C@H](C)C#N)cc1 409593191 HAZDGGVOTAFUMM-CYBMUJFWSA-N 404.514 0.037 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)N(C)C[C@H](C)C#N)c1 410130041 IVUWVDWLCAFVRV-CYBMUJFWSA-N 404.514 0.037 30 20 HCED COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 410148535 RMMCWFZWVOQMLK-LBPRGKRZSA-N 402.860 0.736 30 20 HCED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 433648892 KYWPWMLKIRPQBM-AWEZNQCLSA-N 403.414 1.066 30 20 HCED CC#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 440716216 XWKOYPXRMIRZLS-UHFFFAOYSA-N 423.491 0.574 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1N 446520516 YRQALLHDCHJFBT-DFEHZGFQSA-N 416.441 0.863 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CS(=O)(=O)CCO2)CC1 446627754 ZQHNSTBAHKHGJZ-UYSNPLJNSA-N 408.480 0.756 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCc1c(C)nn(C)c1C 460802951 LJEYEEAUXNSOMM-UHFFFAOYSA-N 420.477 1.485 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCOC[C@@H]2C#N)CC1 461632377 PEEWIQYJRJUGBP-HNNXBMFYSA-N 421.475 0.625 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CCN(c2ccccc2)CC1 462179470 RQLXPBQQRZTUNP-KRWDZBQOSA-N 419.489 0.734 30 20 HCED N#Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 462617321 NNQCFLNQFXFDDO-UHFFFAOYSA-N 410.477 0.524 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N[C@]2(C#N)CCc3ccccc3C2)n(C)c1=O 472285385 DVLFWRBJBNVNGT-OAQYLSRUSA-N 406.446 0.391 30 20 HCED Cn1ccnc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)c1=O 472300378 QRVKXAVAEFZUOA-UHFFFAOYSA-N 404.408 0.071 30 20 HCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1C[C@@H](O)C[C@H]1CO)CCCC2 473164690 XPCSRBSNMZQSJS-HRCADAONSA-N 402.495 0.784 30 20 HCED CC(=O)N[C@@H](C)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 475672547 OXXKSYJZXYGNJR-UONOGXRCSA-N 406.508 0.988 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(OC)s2)c1=O 477018517 FBYYCUNZOJPDIN-LBPRGKRZSA-N 419.528 0.798 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc3cc(Br)cnc3[nH]2)C1=O 479800715 AFGDCRSFDHRXEP-UHFFFAOYSA-N 421.211 0.313 30 20 HCED COc1c(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)nn1C 480642373 DMPLMHBAHWGKEU-UHFFFAOYSA-N 424.505 0.960 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 480947265 CUQKSGJVYCIKQR-UHFFFAOYSA-N 410.430 0.867 30 20 HCED C=CCOC[C@H](NC(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481764118 GDRLTLNGSYWOPJ-ZDUSSCGKSA-N 418.493 0.243 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 482143398 ZZKLLOJSBIMZHQ-GWCFXTLKSA-N 418.397 0.504 30 20 HCED COc1cc(OC)c(OC)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 483816405 DVVPXSCLEZJNOJ-UHFFFAOYSA-N 402.411 0.577 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 484610961 YGEBBYYPAVNUMM-GOSISDBHSA-N 417.462 0.300 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484601 TWXBPHHLNUOYFF-IPMKNSEASA-N 416.478 0.779 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(F)c(F)c2)c1=O 489618637 FLTDGCACGVSKCK-UHFFFAOYSA-N 407.442 0.864 30 20 HCED CS(=O)(=O)N(CC(F)(F)F)C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 497389485 PEBGEKARUXJAMU-UHFFFAOYSA-N 423.461 0.931 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)N(C)C)ccn1 506225632 WXEYFFKCARQGSN-GFCCVEGCSA-N 401.448 0.961 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 508945108 JEQHCHWMIINKFU-MRXNPFEDSA-N 424.571 0.357 30 20 HCED Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)NCC#N 511008570 DQGPBFISKUEMPV-HNNXBMFYSA-N 407.540 0.410 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3cccc(O)c3)CC2)CC1 512461710 FPPNEMODSCNTBW-FQEVSTJZSA-N 413.522 0.842 30 20 HCED CCOC(=O)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 536261941 DAEKFXITWYCPGW-DYVFJYSZSA-N 423.491 0.700 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 540370083 MKYBKNCFDSWVLS-HNNXBMFYSA-N 405.451 0.164 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)n2)c(Cl)c1 542997237 OAVYFDQCZQICCW-ZDUSSCGKSA-N 402.798 0.049 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H](O)[C@@H]2CCOC2)n1 543932349 DFNXHCITACUIHE-ABAIWWIYSA-N 403.826 0.849 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2csc(C)n2)c1=O 548618864 ZIYJBFVGNIYOTR-ZDUSSCGKSA-N 419.528 0.820 30 20 HCED N#CCNC(=O)CNC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 553305143 BFWOUXJZCRQCRL-UHFFFAOYSA-N 407.224 0.581 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 571797959 NQOHXAQVFNXCLC-KDOFPFPSSA-N 424.379 0.301 30 20 HCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 574325267 DAOSRPONGLFMFP-RYUDHWBXSA-N 404.452 0.357 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCOCC1 578287164 YZUQQTUZQWYRJP-KRWDZBQOSA-N 411.466 0.550 30 20 HCED C=C(C)Cn1c(C2CCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 580662104 KSEGKZYOTQARSJ-UHFFFAOYSA-N 400.487 0.588 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 581225107 AJPGIUBZFJOAIY-IBGZPJMESA-N 421.457 0.876 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1 589451800 BDHIKESTZNJWAV-INIZCTEOSA-N 404.492 0.744 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C(C)C)C2=O)cc1 604129758 CPDQXDJXBIKOGR-INIZCTEOSA-N 422.507 0.557 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 608911149 MZODRFWWSXHSLW-UHFFFAOYSA-N 410.908 0.139 30 20 HCED CC(C)(C)CN(CCO)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609317108 LFZPSUKUUZWYKU-UHFFFAOYSA-N 422.551 0.732 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(c4nn[nH]n4)CCCC3)C2=O)cc1 609881627 BGSYKUGMAYQANX-CQSZACIVSA-N 408.422 0.862 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)C1=O 673510325 QHCBRNBGHOQBMA-RDJZCZTQSA-N 416.453 0.683 30 20 HCED CC(=O)OC[C@@H](SC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C=O)OC(C)=O 725399664 ZVMUQCGZJCBROV-ZJIFWQFVSA-N 406.409 0.192 30 20 HCED Cn1c(C=NNc2ccc(S(=O)(=O)NC3CC3)cc2)nc2c1c(O)nc(=O)n2C 726425558 VQJFIMKKOWKDNO-UHFFFAOYSA-N 417.451 0.259 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 728533093 ACBKLRQBJPRONI-CQSZACIVSA-N 404.417 0.211 30 20 HCED C#CCN1CCC(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)CC1 729979847 GVCWNYWNCIVJBY-UHFFFAOYSA-N 403.571 0.028 30 20 HCED C#CCN1CCC[C@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 730273563 YGIBDVYDRCMMCT-IBGZPJMESA-N 405.520 0.562 30 20 HCED N#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 731238786 GULXLJJYRANXKO-UHFFFAOYSA-N 401.391 0.548 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C(C)C)c3)c2=O)c1 732796304 BPQWVTDZZVBDIC-UHFFFAOYSA-N 417.494 0.907 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 742143432 XVLDTSPQFFGZBO-MRXNPFEDSA-N 415.475 0.257 30 20 HCED COCCN1CCC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742641344 ACUVMNOJGKOMNA-CABCVRRESA-N 408.524 0.731 30 20 HCED CCCCNC(=O)NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745494672 AHKKLMDRCWMCID-GFCCVEGCSA-N 424.479 0.673 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 746216323 YAKUJSKKHZIPPN-NVXWUHKLSA-N 422.526 0.641 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC2(O)CCC3(CC2)OCCO3)cc1 747992534 ZQQXMTDTXKSHLF-UHFFFAOYSA-N 408.476 0.637 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CCc2nc(-c3nc[nH]n3)no2)[C@H](C#N)C1 754380596 UYEJJYPXBVSFPF-LLVKDONJSA-N 402.415 0.759 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2ccc(OC(C)C)cc2)CC1 761031921 FESMYBVKWSTKMD-UHFFFAOYSA-N 422.551 0.218 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1 764030994 APGZOXLTXJHVST-GFCCVEGCSA-N 420.447 0.995 30 20 HCED CCCCS(=O)(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CCC2)CC1 771079712 XJHIYTAXLJOYRW-UHFFFAOYSA-N 405.542 0.968 30 20 HCED COc1ccccc1[C@@H](CO)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 771139470 BPLZSSWTZJEOOF-OAHLLOKOSA-N 403.460 0.974 30 20 HCED COC(=O)Cn1cc(C(C)=NNc2ccccc2S(=O)(=O)N2CCOCC2)nn1 772844636 JCQYBGKXQHKTEC-UHFFFAOYSA-N 422.467 0.308 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945506 KHDLXPNRHADPOL-UHFFFAOYSA-N 412.402 0.396 30 20 HCED C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 780204515 HRCIBROLNDADEH-BZNIZROVSA-N 403.416 0.809 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 782905898 QJHWJOGLTKUOTE-UHFFFAOYSA-N 415.450 0.656 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 783013678 MILQUJLUFAAYGX-UHFFFAOYSA-N 415.946 0.580 30 20 HCED Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 784602918 BXGLTJOQJBJLED-HIFRSBDPSA-N 416.459 0.901 30 20 HCED CN(C[C@H](O)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 785082734 GZWQFKOSLZTJEJ-HGSNWSKYSA-N 422.507 0.667 30 20 HCED C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)NC1(C#N)CCC1 787596034 CVZQLSOKEKBNTC-LLVKDONJSA-N 414.871 0.898 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnc3c(c2)c(C)nn3C)n1 789788524 TYRQCKBYZLINSP-UHFFFAOYSA-N 409.450 0.720 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 790312522 PXPALTAXTVUCGF-UHFFFAOYSA-N 423.558 0.422 30 20 HCED CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCn2cnc(C#N)n2)C1=O 795183236 HQCJJDDLRYDBQN-ZLFSKHNOSA-N 412.479 0.224 30 20 HCED CCCNC(=O)CN(C)C(=O)COC(=O)C1CCN(c2oc(C)nc2C#N)CC1 796285686 RYAFQXQNWSWPEO-UHFFFAOYSA-N 405.455 0.599 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 804055417 NHRFDSNHTPNAFE-UXHICEINSA-N 413.522 0.428 30 20 HCED C#C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)c1ccc(Cl)cc1F 804418025 AGOKTRHVDYRCKL-CYBMUJFWSA-N 412.830 0.675 30 20 HCED 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C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)N1C(=O)CCC1=O 917689415 BQARDUXAHARQEU-PQXWDWFGSA-N 406.464 0.975 30 20 HCED C=CCCn1cc(C(=O)N2CCOC[C@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 964276573 ACPVADBFLGLEFF-KJFNJWSJSA-N 401.467 0.235 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)ccc1=O 1003081424 HVLXNJNLACCHKS-SUFIHLRJSA-N 400.479 0.781 30 20 HCED N#C[C@H](C(=O)NCc1ccccc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1122706958 GTPQASVBTZGCMQ-CABCVRRESA-N 416.459 0.177 30 20 HCED O=C1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](c2ccccc2)CN1 1178584830 CPUJTZALPHEENL-MRXNPFEDSA-N 412.471 0.815 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1195978037 KXMBRKFQGFASAS-OAHLLOKOSA-N 415.560 0.950 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1301967838 HRNZOGWVUPLYON-ZFWWWQNUSA-N 422.515 0.173 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1315070229 ZVUXNKBEGNQQTP-CYBMUJFWSA-N 406.468 0.232 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1319571247 GSQNMZUQIXVTBQ-UHFFFAOYSA-N 405.451 0.343 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1323338866 JJAROTJZXPOZHI-CQSZACIVSA-N 417.447 0.166 30 20 HCED C=C[C@@H](COC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1325638603 JFXZFVQDUSVTBX-ZDUSSCGKSA-N 421.475 0.892 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2ncnc(O)c2C1 1326848867 FEOVWYOQRXVRMI-UHFFFAOYSA-N 401.448 0.586 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](NC2CCOCC2)C1 1455308581 XKBOLELSGAZYSQ-CRAIPNDOSA-N 420.535 0.985 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)c1C#N 1556217188 RUQFQTGUKDWLGJ-UHFFFAOYSA-N 420.470 0.366 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1611622176 YMVTUYJCYLCJNH-DOTOQJQBSA-N 400.487 0.376 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4ccc5nncn5c4)C3)C2)c1 1778593981 DKJCRDOIBBSKRK-HXUWFJFHSA-N 405.418 0.686 30 20 HCED 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CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487104238 PKPZLERDRXUDME-DLBZAZTESA-N 419.507 0.382 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 487136212 NLRFZSAFXWKVJI-STQMWFEESA-N 424.479 0.065 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 489009502 IWFZTBQDRYNZJG-GDBMZVCRSA-N 411.483 0.592 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCCN2C2CCCCC2)CC1 496282460 IZOUQAQEZHBSQO-LJQANCHMSA-N 419.570 0.346 30 20 HCED C=CCN1CC[C@@H](N(C)CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 499996379 MPRWCRNFPVRSEM-LJQANCHMSA-N 423.535 0.805 30 20 HCED Cc1cc(NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)nn1CCC#N 504088162 QJBBSEFYTXHOMN-HNNXBMFYSA-N 408.418 0.974 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 504332590 UMCRILZJEUSOHK-ZDUSSCGKSA-N 407.473 0.818 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CO)CC1 504886662 BQSXUYNVOWRPKJ-UHFFFAOYSA-N 409.402 0.347 30 20 HCED CN(C)c1noc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 505920267 ZTLXVAOQQKWLTB-UHFFFAOYSA-N 418.479 0.724 30 20 HCED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 506455051 XTMAICUDDADANZ-CYBMUJFWSA-N 421.866 0.981 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508480361 GBWLJZMVKYJVPS-UHFFFAOYSA-N 407.438 0.698 30 20 HCED C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508883453 ACUZNSPEFVCMES-OAHLLOKOSA-N 403.446 0.826 30 20 HCED COc1ccccc1NC(=O)CN1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 514684470 UUASAVKMCBBMTA-UHFFFAOYSA-N 412.454 0.124 30 20 HCED CCc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 520711979 MPMJPJARBOHWIM-UHFFFAOYSA-N 420.535 0.988 30 20 HCED COc1ccc(C(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC 531800850 HWMZATKPSFHVOD-AWEZNQCLSA-N 424.461 0.833 30 20 HCED COc1cc([C@H](C#N)NC(=O)c2ccc(S(N)(=O)=O)cn2)cc(OC)c1OC 539519362 YMTVMOZLECGADS-ZDUSSCGKSA-N 406.420 0.749 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 543222623 PXXSLUAYMVQBSC-AWEZNQCLSA-N 424.479 0.062 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C2 550338561 CUMFJYJRUAHQHH-MRXNPFEDSA-N 422.493 0.021 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1cccc(C#N)c1 551809734 PHTFXRHVTLBHBE-UHFFFAOYSA-N 402.432 0.682 30 20 HCED CCOc1ccnc(N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)n1 553100083 QDVLOUFRWMHDQO-UHFFFAOYSA-N 412.454 0.812 30 20 HCED CC(C)N=c1[nH]c(N2CCC(Oc3ccc(C#N)cc3F)CC2)nc(=NCCO)[nH]1 553310382 PPCNHJAETGVAHW-UHFFFAOYSA-N 415.473 0.998 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)o1 553533649 CIUFHQAEXBRYRP-CYBMUJFWSA-N 401.400 0.837 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 558165402 DOVHYOKOXFDLRO-GOSISDBHSA-N 401.511 0.650 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccc1 558947893 XEQJEWQXJOAEPL-GOEBONIOSA-N 404.496 0.860 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 577298677 MNFXMNKWCRTFCP-QGZVFWFLSA-N 405.451 0.586 30 20 HCED CC1(C)CN(CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 587648167 SDLVWKFMTXDGHO-UHFFFAOYSA-N 414.510 0.265 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4cnccn4)CC3)CC2)nc1 587659746 XZQHIQCVCLJCGI-UHFFFAOYSA-N 420.477 0.177 30 20 HCED CN(C)C(=O)CNC(=O)c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1Cl 588265624 UMRGFNUFPRNIPA-UHFFFAOYSA-N 418.845 0.443 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589334968 GMMDXZHGTMYUKH-GOEBONIOSA-N 422.507 0.226 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(=O)N(C)C)c2=O)c1 604270229 UWWSPYUHJLHLJU-UHFFFAOYSA-N 424.526 0.432 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)c1 609276675 NRTYPPWZMSBYAP-LLVKDONJSA-N 423.476 0.167 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)n2)cc1 611365644 LYLKJBQHDLORSA-ZWKOTPCHSA-N 423.477 0.194 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 727238299 AUDROACJXZXSJU-UHFFFAOYSA-N 414.325 0.813 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc1 729009881 GINGTYVSLPBWMZ-JKSUJKDBSA-N 406.460 0.414 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCOC2)cc1 730397220 ROHQGYLGQCDGGX-ZDHNHOGNSA-N 408.480 0.685 30 20 HCED C=C(C)CNC(=S)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 731319341 XBCNSFAWPLNEOG-UHFFFAOYSA-N 410.521 0.774 30 20 HCED COC(=O)CCc1nc(CON=C(N)c2ccc(CN3CCOCC3)cc2)no1 732194043 SKLSKLLUWHJHTM-UHFFFAOYSA-N 403.439 0.845 30 20 HCED CC1CCC(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)CC1 732911232 ZUYZTTJANOVQCY-BHDPWAOGSA-N 409.508 0.379 30 20 HCED Cc1ccc([C@@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)N2CCOCC2)o1 733887280 VNUXDVIEBOSZMQ-MVZUJROASA-N 402.451 0.994 30 20 HCED C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 734600698 FONOZWSVCVLRAK-LBPRGKRZSA-N 402.432 0.505 30 20 HCED N#Cc1cccc(OCC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 735015603 PCJHXJWHOUAYNF-UHFFFAOYSA-N 404.404 0.940 30 20 HCED C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)NC1(C#N)CCCCC1 745485342 YAZHQPPQKMKAEI-YAYDYNKSSA-N 403.435 0.423 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2cc(C#N)c[nH]2)c(O)nc1=O 748222881 NDUGUYHJSDLLTF-UHFFFAOYSA-N 402.411 0.741 30 20 HCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1=O 750821981 UZUMYONSIZXBGA-OAQYLSRUSA-N 409.446 0.406 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755544888 GPMKJIGQYSGUDJ-STQMWFEESA-N 403.439 0.508 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(-n2cncn2)nc1 756920100 LZYVXSFUFFKMPS-CQSZACIVSA-N 404.438 0.744 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 758054247 KDYOCDOEUKGUCM-UHFFFAOYSA-N 423.494 0.222 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2cnn(CC#N)c2)c1 760470934 LHRYBVYSNKTAPH-UHFFFAOYSA-N 418.479 0.806 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)CC1 761030362 VKDZHTJHXNFZOT-JKSUJKDBSA-N 408.524 0.346 30 20 HCED C#CCN1CCN(S(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CC1 761510154 IURUQBNKMOHNSP-SREVYHEPSA-N 408.476 0.830 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NCc1ccco1 764584445 GXHJSTGDSZTZKH-ZDUSSCGKSA-N 404.448 0.593 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)NCCN(CC)CC)c1)[C@H]1CCCO1 773792968 JXIKMGBGDOGFAD-RBUKOAKNSA-N 414.506 0.994 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)C1=O 776512171 PZYOACWJHLQERQ-QWHCGFSZSA-N 408.455 0.820 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 784202419 OIYBDPKAMMWKEZ-ZDUSSCGKSA-N 403.395 0.986 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 784923515 RUAYHAYPPPAUMJ-UHFFFAOYSA-N 408.502 0.817 30 20 HCED CC(C)(C#N)CC(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 785080325 ORNWISVXHLECAV-UHFFFAOYSA-N 423.491 0.807 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 787263847 XRRQAXLHCDXIHL-AWEZNQCLSA-N 401.492 0.704 30 20 HCED CCc1nsc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787779862 YVJLCMUWSDEKII-UHFFFAOYSA-N 414.495 0.244 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(CC)c(S(N)(=O)=O)c1)c1cc[nH]n1 789964026 PWADEPFMMPFKEK-UHFFFAOYSA-N 423.451 0.542 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)s2)CC1 797821143 FIJQQDPORGVWPU-UHFFFAOYSA-N 414.509 0.977 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 807385263 GPVOPIZSTAODSK-UHFFFAOYSA-N 402.382 0.413 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(C)(C)C 807534746 YAIPKSYECJKOMR-FMKPAKJESA-N 403.483 0.622 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCCO1 809304951 TVIXBIJYDODHSM-MSOLQXFVSA-N 401.438 0.797 30 20 HCED C#CC[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 816674188 SNXNQNOJHPVVHW-QGZVFWFLSA-N 421.519 0.109 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)Nc1cccc(C#N)c1 914652246 VFOGLYICRAIDNN-DUVNUKRYSA-N 419.459 0.464 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 914816004 DVLICZISMJGWJG-KRWDZBQOSA-N 413.452 0.512 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 916063163 YTVNOFRHBGYZAX-UHFFFAOYSA-N 413.503 0.946 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(O)CCCC2)CC1 919133314 BBDQWAUQNYLHSX-UHFFFAOYSA-N 421.475 0.239 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1288526591 WWUKOJGQGSCCFM-KBPBESRZSA-N 408.528 0.977 30 20 HCED N#Cc1cn(CCC(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(=O)nc1O 1293424707 KZVORQFOVPTHPJ-UHFFFAOYSA-N 401.345 0.128 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN([C@H]4CCN(C)C4=O)CC3)CC2)o1 1346865608 FPJAFELTYDPBMJ-SFHVURJKSA-N 414.510 0.882 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC2CCOCC2)C1 1455308593 XKBOLELSGAZYSQ-QAPCUYQASA-N 420.535 0.985 30 20 HCED N#CCCN1CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 1464302449 TYVYSNNYWMJHCT-UHFFFAOYSA-N 401.286 0.768 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1510110295 NRYNOVCZAFLOQI-KXBFYZLASA-N 407.494 0.827 30 20 HCED COC(=O)N(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1533942026 QYIBKJWDSHITGK-UHFFFAOYSA-N 408.480 0.773 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1555993450 OLLVALRJICXWBG-MSOLQXFVSA-N 410.478 0.870 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCS(=O)(=O)[C@H]2COCC[C@H]21 1618423569 RJVPPVAMYQQEPA-SJORKVTESA-N 415.475 0.570 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)cc2)c1 1634135974 LLNWSJQZCJVXNA-UHFFFAOYSA-N 407.473 0.556 30 20 HCED CC(C)(C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1)C(N)=O 1635897364 RYDJGZCYAHMAAT-OAHLLOKOSA-N 406.508 0.977 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(=O)nc1O 1638890955 NOPJACBGKXZZAU-HNNXBMFYSA-N 417.372 0.406 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1723912202 JGUNELJRDFOISS-UONOGXRCSA-N 415.589 0.675 30 20 HCED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1749096978 ZUINXHXQDRXHIO-UHFFFAOYSA-N 424.303 0.882 30 20 HCED COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1769003282 JEIKIBHVWGNZDW-GXTWGEPZSA-N 421.483 0.069 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1777963050 DIVCWYSRVHARBA-HTAPYJJXSA-N 416.522 0.925 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](N)Cc2cscn2)C1 1777969289 PLSNUIZESLFTQH-SQGPQFPESA-N 404.536 0.940 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)NC(=O)NCC)C2)C1 1778957667 SMQRWOOTCFJUEX-MGPUTAFESA-N 424.498 0.033 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)Nc3cccnc3)CCO2)C1 1778972198 SCMWDDUCLZZPIG-IERDGZPVSA-N 416.478 0.423 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1779015288 UMIYYGUFDIHFLE-AZHVYHFMSA-N 402.455 0.097 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1779015290 UMIYYGUFDIHFLE-QKXOWGBTSA-N 402.455 0.097 30 20 HCED Cc1ncncc1C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1779669918 YBTGHJGDOOUVRI-IHSVQVTCSA-N 417.466 0.758 30 20 HCED N#Cc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(O)O)CCO3)cc(C(F)(F)F)c1 1782031110 VEGBJLIEJRCLHN-QGZVFWFLSA-N 413.352 0.331 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(Br)cn1)CCO2 1783566894 MWHQKNPZSMCEGL-KRWDZBQOSA-N 422.235 0.376 30 20 HCED Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)no1 1784361729 IUZLVGNKYNEIKJ-DSLRRYSGSA-N 420.466 0.884 30 20 HCED CC(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377377 DKCIOPFVILBGBE-FPOVZHCZSA-N 401.463 0.784 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnc(OCF)cn4)C[C@@H]32)CC1 1786693986 BCWDPYVKVOFCRC-YDHLFZDLSA-N 403.414 0.679 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C[C@@H](N)c4cccnc4)[C@H]3C2)c1 1786929618 CYMVVYPBDCGEIY-GNBUJSLZSA-N 422.489 0.965 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)N1CCCC1 1793803541 CWHAYFYIEFTHBI-AXVVYFOYSA-N 421.538 0.552 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)n1ccccc1=O)C2 1793822281 OCVYUAUHRGWSIL-OAFZBRQQSA-N 405.520 0.918 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(OC)nn1C 1794344295 YVIVRTWHANJQED-IARIHHJXSA-N 406.483 0.205 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=C/c2ccc(O)c(O)c2O)C3)CC1 1795413828 ULDNRYIOVFVTDE-CSFUDYAISA-N 413.430 0.710 30 20 HCED N#Cc1ccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)cc1 1795849219 FUFAECDNXXVHTD-RMFSNUHRSA-N 408.462 0.372 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=C2\C(=O)Nc3ccccc32)CC1 1797659158 JXIDXKAWKBDRLI-LRKVGGNXSA-N 406.442 0.915 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1CCN(C(C)=O)CC1 1797934326 JZFRDEKPDVKBQH-FCGDIQPGSA-N 420.554 0.362 30 20 HCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccncn2)C3)c1 1798576483 GECNIBCDFLLWEZ-HGKCTWBKSA-N 407.430 0.874 30 20 HCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)nn1C 1798757977 FNRBOBVQFVRGEO-ZFGVFASFSA-N 418.498 0.104 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(-n3cnnc3)cc1)C2 1800984093 JLMFSPNKFKZLKE-FAYQHZLMSA-N 401.492 0.789 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1801005749 GORBJUNKYDMTSL-MNDZRTMASA-N 415.446 0.377 30 20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN1C(=O)OC(C)(C)C)C2 1802018068 ZNVLHJAUOGGGMO-DFGXFYAUSA-N 405.495 0.999 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(OC)OC)[C@H]1c1cccnc1 1802478610 USPKVBJGFBTPSY-UWAMSTNLSA-N 416.478 0.565 30 20 HCED O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1804086826 BMJJLNKYCYQAIR-OXJNMPFZSA-N 409.446 0.053 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)c2cnnc(Cl)c2)[C@H]1c1cccnc1 1804728024 WWDORPSVVJBZJP-SCLBCKFNSA-N 413.821 0.933 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnc(O)nc2O)n[nH]1 1818022152 JFTCIOVDCMUWPI-LLVKDONJSA-N 400.351 0.005 30 20 HCED C#CCCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@H](O)N3CCOCC3)sc2C1 1819893845 SIXGVTZDBRSSTG-UGSOOPFHSA-N 406.508 0.509 30 20 HCED C#CCCCCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H](O)N1CCOCC1)CC2 1826427040 KOGFNRPTSIUEOX-LIRRHRJNSA-N 420.535 0.899 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cnc1O)CCO2 1829560531 YSJXOKQKRPVYGJ-GOSISDBHSA-N 408.842 0.814 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSc4ncccn4)C3)C2)C1 1829667074 SZZUIQRMMFIWHS-HXUWFJFHSA-N 418.519 0.991 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCN(C)CC3)CCO2)C1 1829997014 YPBBJCPPQNZPPG-GCJKJVERSA-N 421.538 0.213 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2)C(F)(F)F 1831192127 XKSBDIISVHHUBD-DYVFJYSZSA-N 421.416 0.476 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1831216368 MVSMFPOXLPUGFO-IOFJYKPDSA-N 419.478 0.385 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NC(C)=O)C2)C1 1832447262 SZLAJOMCRWPZHK-IBGZPJMESA-N 413.540 0.277 30 20 HCED O=C(/C=C/C(=O)N1CCC(N2CCC(NC(=O)C(O)O)CC2)CC1)c1cccs1 1833222847 MCFSQGWIYUUSEH-ONEGZZNKSA-N 421.519 0.369 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834594505 WSEHGVCXLICEHN-IERDGZPVSA-N 420.462 0.283 30 20 HCED COc1ncccc1CCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834756011 IHDUHMJTSFAZHV-HXUWFJFHSA-N 402.451 0.393 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1cccn1 1835102681 WPGTZMKABGDJDU-WMZHIEFXSA-N 422.485 0.952 30 20 HCED CC(=O)O[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)C 1835344357 AAERURKSXMGEOY-OXQOHEQNSA-N 407.467 0.334 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC45CCCN4CCC5)C3)C2)CC1 1835345921 KNXMDZFAWZKZIM-JOCHJYFZSA-N 416.522 0.765 30 20 HCED Cn1cccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673195 YHEGHQWDPWNSQW-OAQYLSRUSA-N 417.510 0.377 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836036908 BONUWHJLSXHMRB-DNVCBOLYSA-N 409.508 0.733 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccsc3)CCO2)C1 1836095798 ZAFDQFLRBJSXLM-UZLBHIALSA-N 406.504 0.785 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)CC1 1837118090 TZZFCTPSKQXNFE-YOEHRIQHSA-N 420.510 0.795 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CNC(=O)C3)C2)C1 1837311865 OQVPMMMVFBWSGL-LZJOCLMNSA-N 405.495 0.347 30 20 HCED O=C(/C=C/C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/O[C@@H]1CCCCO1)CCO2 1837524694 GEZFVMWTDYOFBE-MXGCRNEKSA-N 421.494 0.938 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838652180 TZEZXURJKQAWPS-FOIQADDNSA-N 420.466 0.658 30 20 HCED Cc1noc(N)c1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735216 ZSLWUYNHHTVYKH-LJQANCHMSA-N 414.422 0.149 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(F)nc4)C3)C2)c1 1838737951 HECITTNFFOYEOK-HXUWFJFHSA-N 413.409 0.804 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838752966 MMPXYKWXFYNHDF-FQEVSTJZSA-N 418.498 0.653 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CC[C@H]3CCC(=O)N3C1)CCO2 1839083433 UCFCAZMDFGHQKL-WWMYMODYSA-N 418.494 0.148 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNc4ccccc43)C2)C1 1840159491 FZVQIVXYLWCCJA-YYFZDKIDSA-N 405.520 0.970 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840386113 JEAJVGACIPXBRW-NRFANRHFSA-N 417.510 0.978 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1840818958 HMGQFGNTRMYYFQ-LJQANCHMSA-N 409.389 0.659 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@H]1SC(=N)NC1=O)C2 1844237003 UEAWYVFTLJRZPU-RWMBFGLXSA-N 408.524 0.565 30 20 HCED CN(CC(=O)N1CC2(CCCN2C(=O)CCCC#C[Si](C)(C)C)C1)C(=O)C(=O)O 1844253426 FKYOXVMBTDLAET-UHFFFAOYSA-N 421.570 0.784 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCNC(=O)c1ccc[nH]1 1848179147 ONMOVVXIWIHBGS-ULQDDVLXSA-N 402.495 0.910 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 50175961 RJXQLPKCIVVJNM-UHFFFAOYSA-N 408.462 0.969 30 20 HCED N#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 60893488 HSUSHPZIQXWNIV-UHFFFAOYSA-N 421.479 0.663 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)NCCN3CCCS3(=O)=O)CC2)cc1 64254219 FRVFFOCWPVPBNR-UHFFFAOYSA-N 405.524 0.811 30 20 HCED CCN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@@H](C)C#N 140432851 VCZHJGJPBQAREN-LPHOPBHVSA-N 400.479 0.979 30 20 HCED C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1 301087240 LFQTXEWCWSJMDW-AWEZNQCLSA-N 421.461 0.889 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1=O 410115998 DDOQKKAGMUDBID-QGZVFWFLSA-N 421.519 0.875 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1 427481179 PIVWXTUIZLELTQ-SNVBAGLBSA-N 400.361 0.801 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 427705830 QNFOKNGGMGSBFA-QWHCGFSZSA-N 418.450 0.856 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCS(=O)(=O)C1 433173584 IIGHSUGGKQODRI-CVEARBPZSA-N 410.565 0.823 30 20 HCED CCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441821881 JLSQHRZEHKIQGC-CYBMUJFWSA-N 410.356 0.908 30 20 HCED CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1(C)C 447290241 KUAKDUBSGKIXIE-QRWLVFNGSA-N 412.450 0.760 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 461752154 IICIKKKMUGYTLI-ZDUSSCGKSA-N 408.418 0.544 30 20 HCED CC[C@H](C#N)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 464114065 LUEHDKYKYOMZNA-CQSZACIVSA-N 419.507 0.945 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCc2cccc(C#N)c2)c1 466926625 UJCKSENGOHUBNX-UHFFFAOYSA-N 415.475 0.947 30 20 HCED N#C[C@@H]1N(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC[C@@]12CCCCO2 468665179 FXRGFSZPLSOIKZ-JEWRLFTDSA-N 409.508 0.476 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)o1 472191278 DESXIJDSMQGVNP-UHFFFAOYSA-N 407.452 0.799 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 473467784 AREHEZGQAKVXMC-INIZCTEOSA-N 401.511 0.683 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 478932478 UXSGNUXBHSZJGW-OAHLLOKOSA-N 408.480 0.410 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 479888079 OXUIPOFZNNTOPK-DOTOQJQBSA-N 408.524 0.698 30 20 HCED C[C@@H]1OCC[C@@H]1N(CCO)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 485193109 QDBZCHUGNCZRKQ-WFASDCNBSA-N 401.398 0.820 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487510415 DCLFHVSNIJWXOB-DLBZAZTESA-N 419.507 0.382 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489216587 KTDHNPLSHGXHQQ-QGZVFWFLSA-N 418.461 0.655 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 491041366 XNNIQPXLTLLHCZ-UHFFFAOYSA-N 402.451 0.579 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CCC(=O)OC)C1=O 499479271 LLMWMXAEQIWJJE-KRWDZBQOSA-N 402.451 0.880 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)nn1CCC#N 504026078 QFDBPBFSJMSEGE-MRXNPFEDSA-N 424.509 0.766 30 20 HCED COC(=O)[C@H]1CC12CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 506205100 AJRLHXNIPYUMBY-OAHLLOKOSA-N 401.467 0.778 30 20 HCED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccc(C#N)cc2F)CC1 507203458 JGHVNMZAKWDZTC-GFCCVEGCSA-N 414.441 0.070 30 20 HCED Cc1n[nH]c(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 510985791 SNTRUDCJNLPQKZ-UHFFFAOYSA-N 402.480 0.843 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511200253 QIYCVXXSCBDRKN-JTQLQIEISA-N 412.896 0.683 30 20 HCED O=C(NC[C@@H]1CS(=O)(=O)CCO1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 511454587 OKVDTNVTFPNQJQ-GOSISDBHSA-N 413.455 0.350 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)C1=O 512442726 RVGXMRRQTVFSHH-UHFFFAOYSA-N 416.409 0.980 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(C)n2)c1=O 514919489 FASKVVILAPAHJI-UHFFFAOYSA-N 404.517 0.517 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cn3)CC2)c1 516608860 VMSFNXSJKWVIAF-UHFFFAOYSA-N 403.439 0.719 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)C1=O 518992531 JXWYBUVTYFSJKJ-UHFFFAOYSA-N 407.448 0.925 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 524312128 NKOIEDQZAXJRMV-LLVKDONJSA-N 416.406 0.638 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 524463822 VVMDMAIYLWPODO-GOSISDBHSA-N 407.559 0.601 30 20 HCED C[C@@H](C#N)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 531964247 HPQAUOTYZVGUJQ-AWEZNQCLSA-N 410.471 0.715 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3[C@H](O)C(F)(F)F)CC2)o1 533417756 OWFKMRYLCZHHHP-HIFRSBDPSA-N 401.389 0.891 30 20 HCED COC(=O)c1cccc(CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1C#N 540929860 QYGBAUMJGHNGJW-MRXNPFEDSA-N 407.492 0.971 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 546003537 RTIYYNPLGBQLHW-UHFFFAOYSA-N 408.418 0.348 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 552504252 PEDFOBNBUMRHNE-SJORKVTESA-N 410.584 0.861 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1)C(N)=O 553675401 YIRWCLFLCGWOQP-UHFFFAOYSA-N 423.477 0.558 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)C1=O 553740977 OKLFMJYYEGWTNM-UWVGGRQHSA-N 422.467 0.157 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 561135848 JTDDHXRMMCMRPV-DOTOQJQBSA-N 421.461 0.201 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCO1 568560991 CTZIYWNTEHXBHK-PMACEKPBSA-N 414.506 0.903 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CCCS3(=O)=O)n2)c(Cl)c1 571117930 GJOMUNFHIFXXLA-LBPRGKRZSA-N 421.866 1.029 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 573470511 PPVWWDFRSPKYQG-KRWDZBQOSA-N 419.570 0.345 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCn1cnc(C#N)n1 583255626 SXSYZMIIYDDDHE-SNVBAGLBSA-N 416.385 0.652 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCCC[C@@H]3N3CCOCC3)CC2)o1 584330235 FTQABZMXTDLOPK-HKUYNNGSSA-N 416.526 0.736 30 20 HCED Cc1ccc([C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)cc1 585774562 JOUYCYVVIIJGKY-FQEVSTJZSA-N 413.522 0.589 30 20 HCED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2 588036905 XQBSGXOHGGDFKI-KRWDZBQOSA-N 421.457 0.730 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OC)c2)c1=O 603924088 ONLQDIFFCCUKTN-UHFFFAOYSA-N 401.488 0.594 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1Cl 604161028 OOFHTKZSEKUIKQ-UHFFFAOYSA-N 403.870 0.917 30 20 HCED CS(=O)(=O)Nc1nnc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)s1 608926076 ZOGCOKQITXPOKH-UHFFFAOYSA-N 404.437 0.801 30 20 HCED CN(CC(=O)N1CCCN(c2cccnn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 609477780 DFKYXYWVELQPIU-UHFFFAOYSA-N 414.491 0.708 30 20 HCED Cc1nc(=NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)n(-c2ccc(C#N)cc2)[nH]1 610231880 HSXONYUAPXITQB-UHFFFAOYSA-N 416.401 0.067 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@](F)(C#N)C3)c2)CC1 615605375 YXQOEISGNYUEEA-SFHVURJKSA-N 408.455 0.617 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@](F)(C#N)C1 615825512 LKQUOVYYHXNEIV-GDBMZVCRSA-N 417.484 0.232 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccco2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 726577845 WJDJSZRTTNYGDG-UHFFFAOYSA-N 412.452 0.225 30 20 HCED CO[C@@H](C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 726723834 HJRIGFGDRHYLAO-JEEMYIIMSA-N 410.496 0.979 30 20 HCED CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2nnnn2C2CC2)C1=O 742213240 FKYBMSOCGBXLRW-WVCJAJDESA-N 414.495 0.582 30 20 HCED COCCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 743402972 ARMBHVGRPBROHE-SILNSSARSA-N 410.496 0.933 30 20 HCED C[C@H](CCN(C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 744907915 LUJQXLCPUZUSKO-PFKVCDDJSA-N 423.539 0.894 30 20 HCED CCN(CCC#N)C(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745498621 YTJMHEXPLNODJI-CYBMUJFWSA-N 406.464 0.809 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C(=O)NC3CC3)ccc2C)CC1 747991254 GSAZDKNJESQMJG-UHFFFAOYSA-N 410.474 0.814 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)C1=O 748848093 ZBVBZBJRMVODTH-UHFFFAOYSA-N 413.434 0.304 30 20 HCED COC(=O)c1cc(OC)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 749106475 FNWWWNNLNRLJCX-OUKQBFOZSA-N 415.449 0.348 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 751139148 ZJMDOCSUOMCTPS-UHFFFAOYSA-N 408.483 0.078 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1C#N 752407344 FVEWQFFHLCLPGO-CQSZACIVSA-N 415.406 0.717 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 753253818 QLIVKBPSAGEEPE-ZDUSSCGKSA-N 401.510 0.507 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 755104748 AKNZBRZPAKGUHY-UHFFFAOYSA-N 408.480 0.657 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cc2C)c1=O 758079945 WWOSETCMXRTELC-INIZCTEOSA-N 409.511 0.814 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)cc2OC(F)F)c1=O 758079950 XAOOFCCHNYHOKL-UHFFFAOYSA-N 419.409 0.402 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OCC)c(OCC)c2)CC1 761029983 BOFVHDMHOWLVRI-UHFFFAOYSA-N 424.523 0.508 30 20 HCED COC(=O)N[C@@H](C)C(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 762053545 VRLKIATWYQRETJ-NSHDSACASA-N 416.390 0.654 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CC(=O)N(CCN4CCOCC4)C3)CCO2)c1 762303626 PDXJMIUMMQUXJQ-VQTJNVASSA-N 412.490 0.639 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)C1 762765944 CKWYAGNQCOKOEK-KRWDZBQOSA-N 417.510 0.412 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 763007094 KWCZIBURCUTVDN-UHFFFAOYSA-N 415.837 0.689 30 20 HCED C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 763944941 PSCMWTVWKIKOAA-UHFFFAOYSA-N 412.468 0.554 30 20 HCED C#CCC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 767647837 AANWSGQHWNAQJV-UHFFFAOYSA-N 417.487 0.984 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)CC1 771174989 BYZYXWBLXAWTAF-UHFFFAOYSA-N 417.484 0.347 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1 771239653 CESMHAUCDHERPE-HNNXBMFYSA-N 419.445 0.812 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 780284422 DBYQVDCUVCIOIF-UHFFFAOYSA-N 412.519 0.966 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CC1 780785839 MHGCPLGZBHATOB-UHFFFAOYSA-N 413.503 0.589 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1 783348356 ZOMGFOYVSMVDHW-UHFFFAOYSA-N 423.491 0.729 30 20 HCED CN(CC(C)(C)O)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 784820169 ZLTBSUGDQCOEPW-HKWRFOASSA-N 410.496 0.667 30 20 HCED Cn1ccnc1[C@@H](O)C1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787777108 HNOCJOZYXWNDNG-INIZCTEOSA-N 411.466 0.187 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 788295701 DDGNFZLQJONIIM-MRXNPFEDSA-N 422.526 0.995 30 20 HCED CCN1CCN(CC(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)C(=O)C1=O 789472275 AJSMTLDBIWTXGN-MRXNPFEDSA-N 402.426 0.900 30 20 HCED C#CCC[C@H](O)CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 798416422 NCXKLGYEBOBLQS-KRWDZBQOSA-N 408.524 0.196 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)C1=O 799027295 IFRPYEXBNZZDHE-JKSUJKDBSA-N 402.451 0.402 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](CN2CCOCC2)C1 800650442 NNOLAHQWKRISRL-HNNXBMFYSA-N 406.508 0.296 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 807338125 XZKPMRPRDCRVJL-QGZVFWFLSA-N 406.442 0.591 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1 807381114 DOXUMGGKMIZIOD-UHFFFAOYSA-N 407.448 0.466 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 810773057 PTSIZYOGPANITO-UHFFFAOYSA-N 414.505 0.353 30 20 HCED C#Cc1ccccc1CC(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 811259646 DTGFMBUSYMPVFN-OALUTQOASA-N 419.499 0.948 30 20 HCED COc1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc(Cl)c1OCC(N)=O 813980956 PQNSVAKCWHTSBN-UHFFFAOYSA-N 424.822 0.598 30 20 HCED C[C@H](C(=O)N(C)CC(=O)[C@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)n1cccn1 815912474 NITYSVUPIWEJJH-PBHICJAKSA-N 424.461 0.952 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 822874332 JTXNFTBEUSVJGU-LBPRGKRZSA-N 414.867 0.656 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3F)c2=O)cn1 838665265 OIPDLGZOXCRLPD-UHFFFAOYSA-N 423.473 0.897 30 20 HCED CSCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C)c2)c1=O 839370939 RUUHFYXHXDBKER-UHFFFAOYSA-N 417.560 0.522 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N([C@@H]2CCS(=O)(=O)C2)C1=O 914550269 NNTJLYOAYUKWDJ-OCCSQVGLSA-N 411.505 0.950 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)OCCO3)cc1 918408665 MPRFPEYRSSSFGD-UHFFFAOYSA-N 423.491 0.797 30 20 HCED CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 920477648 FFHVHJAEGVAWMT-OQKWZONESA-N 423.539 0.894 30 20 HCED CCN(CCS(C)(=O)=O)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1116372255 OLZVXRZRJVIYRB-OAHLLOKOSA-N 406.464 0.656 30 20 HCED CN1CCN(c2ccc(Br)cc2NC(=O)Cn2cnc(C#N)n2)CC1=O 1147039394 NUAQPFPOSYZGKF-UHFFFAOYSA-N 418.255 0.829 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CO)(NCC2CC2)CC1 1161568316 YLKZDQACQBISAM-UHFFFAOYSA-N 420.535 0.468 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCCS1(=O)=O 1286961691 XFHAPYQESMWZPJ-CQSZACIVSA-N 409.516 0.145 30 20 HCED CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1296044990 HWKSQDBVKZAZMR-HDMKZQKVSA-N 410.519 0.964 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O 1301971898 QELYKVAUVUVQBQ-LBPRGKRZSA-N 410.525 0.910 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CC(O)(CC#N)C2)cc1 1447924759 RCRFGCIUYMLWAB-RDJZCZTQSA-N 407.492 0.421 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCN1CCN(c2ccccn2)CC1 1454633120 OOKILEWWMBHCIL-UHFFFAOYSA-N 410.482 0.664 30 20 HCED CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503815084 XVAJOIHVGGPAJO-CQSZACIVSA-N 420.481 0.786 30 20 HCED N#Cc1cn(CCC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)c(=O)nc1O 1583286496 YHWOUJGATXCQSS-UHFFFAOYSA-N 401.467 0.898 30 20 HCED Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)n1 1612222956 SVANERLNZMKECM-ZBFHGGJFSA-N 419.511 0.563 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)[C@H]4CCC[C@@H]43)CC2)o1 1617917950 KEXISMXDKBTUGN-HOTGVXAUSA-N 407.496 0.155 30 20 HCED 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IDNXQVQOVPCXIR-CIPMJJFUSA-N 421.523 0.685 30 20 HCED Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)n1 1838734997 RTNTYTZIJQZEBH-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C[C@@H]1C[C@]1(C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1839091043 TXAAMPYZAGOVHB-HYBJDKIXSA-N 406.527 0.961 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1839641525 LCYWKFATAOHNSC-FHMMEVJKSA-N 420.510 0.495 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839756852 WRDKBNWQECLJTQ-AIFGKWQTSA-N 413.446 0.474 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840160467 HYIDKKWJGYDFRX-DIFFPNOSSA-N 412.537 0.804 30 20 HCED Cc1ncc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)s1 1840397913 MALPDCQKYJXOTI-HXUWFJFHSA-N 403.504 0.864 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415478 FNXWKMHALDKJLS-MAUKXSAKSA-N 409.512 0.215 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840856030 BWRJFVCKBRTAFU-UWJYYQICSA-N 420.510 0.441 30 20 HCED CNC(=O)CC(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843168628 YPESQKDTOUXXRE-UHFFFAOYSA-N 409.368 0.925 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)/C=C\C(=O)NC1CC1)C2 1846979898 NYXPUUPMHFOJJA-HJWRWDBZSA-N 408.458 0.975 30 20 HCED COCCN1C(=O)/C(=C(/Nc2ccc(C#N)cc2)[C@H](F)C(=O)OC)C(=O)NC1=S 9769045 FGJDFEMAVNXBIX-REQDGWNSSA-N 420.422 0.625 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15358594 NVFPRNRVLUHMAH-UHFFFAOYSA-N 410.477 0.858 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 25269806 VRFYMQLPKHHUJX-UHFFFAOYSA-N 422.488 0.456 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 43644147 ILKWLIBGOMPANW-IRXDYDNUSA-N 417.462 0.324 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCn2cccn2)CC1 45712835 CJRZVKYRASBLFP-UHFFFAOYSA-N 402.480 0.861 30 20 HCED CCN1CCN(Cc2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 409564944 FYAYTBAXVXHPLB-IBGZPJMESA-N 407.540 0.383 30 20 HCED COc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)N1CCO[C@H](C#N)C1 410148532 RMMCWFZWVOQMLK-GFCCVEGCSA-N 402.860 0.736 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 427114594 PYIGABYAAWEAOB-UHFFFAOYSA-N 424.460 0.514 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 428255438 HBHHXNBMMUJYNZ-UHFFFAOYSA-N 407.477 0.112 30 20 HCED Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 438222980 LANGSNGPWSKPPD-UHFFFAOYSA-N 411.465 0.113 30 20 HCED CC[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 440108006 QRECSFQEIIIQRC-OAHLLOKOSA-N 414.441 0.737 30 20 HCED CN(CC1(O)CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442559627 TYQCYKWQKSCIGN-UHFFFAOYSA-N 417.853 1.336 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CCO1 443300366 KSNSWZFXECFFCL-LBPRGKRZSA-N 401.297 0.796 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 446705300 HOKBCIRWACLCFA-UHFFFAOYSA-N 422.489 0.951 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cn1 460573960 JUXIIPWOUPETLA-INIZCTEOSA-N 421.461 0.842 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)NCc1ccco1 460592479 NTNYEJBZYVZHTQ-LBPRGKRZSA-N 407.390 0.492 30 20 HCED COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1OC 463687648 CFACBCBJAQEEGZ-CQSZACIVSA-N 402.494 0.781 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 467284223 PCHAEJBITUKJFN-QGZVFWFLSA-N 415.494 0.117 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)NCCCN3CCCCCC3=O)CC2)c1C#N 472177047 VNROXZFNLYCUCT-UHFFFAOYSA-N 415.542 0.631 30 20 HCED COC(=O)c1cn(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1 474350920 RIVHGBITIOUYHC-UHFFFAOYSA-N 408.422 0.453 30 20 HCED COC(=O)c1cn(CC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)nn1 474482520 LQFLOPBAYFPRDF-UHFFFAOYSA-N 422.449 0.762 30 20 HCED COC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 475325933 ZDDXYXCBFFTXRP-INIZCTEOSA-N 405.524 0.248 30 20 HCED CN(C)CCNC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 493901295 SNDFKWRXTYFTQW-UHFFFAOYSA-N 409.468 0.545 30 20 HCED CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](C)CS(=O)(=O)CC 499051488 GVTTYAIIXDUCTH-CQSZACIVSA-N 411.528 0.648 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCC(=O)NC2CC2)CC1 504552500 CEILPOHTNFYQPX-UHFFFAOYSA-N 419.507 0.633 30 20 HCED C=CCN1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 508495136 YCLWSLQSQKYZIZ-KRWDZBQOSA-N 400.545 0.473 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 511325089 KLHOVWWCRBPARF-AAEUAGOBSA-N 416.481 0.853 30 20 HCED COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCCn1cnc(C#N)n1 511436175 HWGLTFMTBDUUHB-UHFFFAOYSA-N 412.859 0.492 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CCN1Cc1ccccc1 513064685 NVFCNCQUOMCOOD-GOSISDBHSA-N 421.457 0.726 30 20 HCED N#Cc1cc(Br)ccc1CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 516987563 AUYSXMKDALUHAE-CVEARBPZSA-N 414.325 0.908 30 20 HCED C=CCN(CC=C)C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 517897456 OYMGGFBBTJTAAB-UHFFFAOYSA-N 421.519 0.665 30 20 HCED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 524906858 YZGDUSFKQLBIHS-UHFFFAOYSA-N 423.539 0.055 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 531696639 GJYNPXGNZVEBHB-AAEUAGOBSA-N 404.414 0.978 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 533883414 VWSVQIQLEIUHPJ-QGZVFWFLSA-N 424.526 0.999 30 20 HCED CCOC(=O)c1cnn2c(C(=O)N(CCC#N)CCN3CCOCC3)ccnc12 535317456 FXGCMOLOVKSWPP-UHFFFAOYSA-N 400.439 0.594 30 20 HCED CC(C)CN(C(=O)[C@@H](C)n1cnc(C#N)n1)c1c(O)nc(=O)n(CC(C)C)c1N 537301393 FTRBEFGNRRVPEI-GFCCVEGCSA-N 402.459 0.900 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1 538032677 UCRILOKEWYNWGI-KRWDZBQOSA-N 423.477 0.645 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 550837680 LONDMFGHJLAPRU-UHFFFAOYSA-N 412.475 0.808 30 20 HCED Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 555834961 NNCFXHCFWITTHL-UHFFFAOYSA-N 404.496 0.932 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(OC)cc2)CC1 556217334 SEBSRYBFRTZIAB-MRXNPFEDSA-N 418.494 0.025 30 20 HCED CC(C)C(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 558522955 PVKOESSSLLSIRE-UHFFFAOYSA-N 409.450 0.841 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(=O)OC)C1 559004664 QNGBQLXPPLXENI-INIZCTEOSA-N 410.438 0.875 30 20 HCED COC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)O1 569651991 LVXOTRVPMFJGBC-LSDHHAIUSA-N 407.448 0.112 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)cc1C 574006034 GUHINWQORUSNPM-UHFFFAOYSA-N 423.458 1.510 30 20 HCED CN(C)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 579019058 MQNWPPRNHXMNIT-LJQANCHMSA-N 416.501 0.834 30 20 HCED C=CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 579175503 RQCKHOVCGJCCMR-ZIAGYGMSSA-N 417.509 0.211 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccccc2F)cc1 580920322 ABWOIOCHJFLIQB-UHFFFAOYSA-N 404.423 0.522 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCN(Cc4ccccc4)CC3)CC2)n1 600875186 SMDJHNYQNMKJHF-UHFFFAOYSA-N 418.501 0.946 30 20 HCED COCCN1CCC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 609609953 GKXXWJRKRREFMK-AEFFLSMTSA-N 413.478 0.990 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 609673040 TUCVCIFAKIVJBN-CQSZACIVSA-N 422.507 0.248 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)C1=O 623192414 NFYGYQZKBXINKU-CQSZACIVSA-N 404.467 0.460 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCS(=O)(=O)CC1 729368729 KFGBNCLKSCINGA-AWEZNQCLSA-N 413.521 0.397 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[S@](=O)Cc1ccccc1 731880980 BKSVXUQOWPEESL-SANMLTNESA-N 405.501 0.790 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1CC(C)C 736587721 NWCNJHNCWIHXBJ-UHFFFAOYSA-N 420.560 0.905 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)Cc1ccc(S(=O)(=O)CC(F)F)cc1 736914204 DRIVMPZVUJPWIG-UHFFFAOYSA-N 404.391 0.823 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 737511149 DNQCGJJFHUYKSH-UHFFFAOYSA-N 419.441 0.633 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 743635325 BNZHELBWWIJCOP-SFHVURJKSA-N 412.490 0.837 30 20 HCED CC#CCOC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 744595284 XZHXASABLWACML-AWEZNQCLSA-N 407.897 0.988 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc1cccc(C#N)c1 745352884 CCUVRILTVLDUFF-GFCCVEGCSA-N 419.463 0.757 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 746019314 IVLMVOYNUAFALO-GOSISDBHSA-N 417.554 0.634 30 20 HCED COC1CCN(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 751058888 PUGYUPWMHFCFMV-UHFFFAOYSA-N 408.524 0.732 30 20 HCED Cc1ccc(S(=O)(=O)NCCN(C)c2cccc(S(N)(=O)=O)c2C#N)cc1 755003434 WMROVLHCVDSXGF-UHFFFAOYSA-N 408.505 0.929 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(F)F)c2)[C@H](C#N)C1 755537809 NMNCRHAWPURGAX-ZYHUDNBSSA-N 412.397 0.962 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 758605759 SPKOPKKDDQABAX-BFHYXJOUSA-N 415.516 0.469 30 20 HCED CC(C)NS(=O)(=O)NCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N 760990101 WGMNPFIEVOKWTE-UHFFFAOYSA-N 406.512 0.479 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C2CCCCC2)C1=O 766278883 WREHSGHZNLFINK-HNNXBMFYSA-N 404.492 0.775 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)S(N)(=O)=O 768594092 VEHPHZJSOZWUMX-YPMHNXCESA-N 416.525 0.077 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771657831 OZBLKKKEGWDJSQ-MRXNPFEDSA-N 421.567 0.648 30 20 HCED CCOC(=O)CON=C(C(=O)NCC1(N2CCCC2)CCOCC1)c1cc[nH]n1 772230873 NXAJTTQBDGNBQN-UHFFFAOYSA-N 407.471 0.455 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCOCC)c2=O)cn1 772275184 ABTYWIVNUGISHH-UHFFFAOYSA-N 413.503 0.415 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C)c1cc[nH]n1 772486920 JBWLZRPNVVPHIA-CQSZACIVSA-N 404.427 0.634 30 20 HCED C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)[C@@H]1CCCO1 773113824 RNLUACUDWAEPDE-MOPGFXCFSA-N 421.519 0.829 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)[C@H]1CCCO1 773798654 QOZRBGBELVZQDP-RBUKOAKNSA-N 412.490 0.239 30 20 HCED C#C[C@@H](NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N)[C@@H]1CCCO1 775786028 UXYBKFHJGPAFDW-CVEARBPZSA-N 419.526 0.947 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 783464533 GOCNIDFKKIACCK-UHFFFAOYSA-N 422.441 0.828 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c1C#N 788337663 DJSKOAYVMJOISS-UHFFFAOYSA-N 419.449 0.468 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccc(S(C)(=O)=O)cc1)c1cc[nH]n1 789963567 DADNZFBNGCZOMZ-UHFFFAOYSA-N 408.436 0.413 30 20 HCED CN(CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 793586683 FJIXDFSWIMPSCG-INIZCTEOSA-N 405.480 0.246 30 20 HCED CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)[C@H]1CCN(S(C)(=O)=O)C1 794783613 ADVNQARDZPESJZ-GXTWGEPZSA-N 403.464 0.477 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 798323456 SXOMMPUIQNLZHW-UHFFFAOYSA-N 400.888 0.675 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(CCCN1CCOCC1)Cc1ccncc1)[C@@H]1CCCO1 809314089 YBGISMYZRCWYPX-UXHICEINSA-N 414.506 0.430 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccnc2OCC(F)F)nc1 809633084 CCLRCILDBAPLQJ-UHFFFAOYSA-N 404.377 0.837 30 20 HCED C[C@@H]1CN(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 818111320 MHDKQOKJFYKEOT-HUUCEWRRSA-N 408.524 0.731 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)Nc1ncccn1 823691267 HLBLQUYKMQODHO-LBPRGKRZSA-N 403.420 0.853 30 20 HCED CN(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 843419266 RTHHXMDEWHZJTC-IHWMJMDHSA-N 413.521 0.752 30 20 HCED C[C@H]1CN(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H](C)O1 921172720 JGXCODPKFSNNBD-KBPBESRZSA-N 409.464 0.671 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1211486133 FEDHVDGWGKYBHG-UHFFFAOYSA-N 411.509 0.317 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2)c1C#N 1211536697 YRMBXYDWKNBWBP-UHFFFAOYSA-N 414.491 0.630 30 20 HCED CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1296122902 ZWWMJLHIUBRGJD-IRXDYDNUSA-N 418.546 0.171 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)C1 1302979359 IHQPPCFFJZFHID-SFHVURJKSA-N 424.502 0.781 30 20 HCED CN1CC[C@@](O)(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1314927462 KRXUDWLYFBNERA-UZLBHIALSA-N 400.458 0.803 30 20 HCED N#Cc1c[nH]c(=O)n(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1=O 1459138454 RXBTWQDMTOWUKU-UHFFFAOYSA-N 409.446 0.148 30 20 HCED CCOC1CC(O)(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)C1 1502965537 WZFZNAFYLRSIQJ-OBUCYFDUSA-N 421.498 0.589 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 1556697171 QZMAVTYQEVHVQY-WBMJQRKESA-N 411.505 0.261 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)nc1 1583087519 KVLLLIKHWKVXJW-UHFFFAOYSA-N 414.487 0.611 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1611298116 SHFCPDWKAZRCEE-DZGCQCFKSA-N 406.516 0.841 30 20 HCED 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C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1833468002 HLWUBSKNCFFIFK-IRXDYDNUSA-N 418.538 0.287 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833977103 HMTSMZLKFKCHOJ-VMHRPQTGSA-N 416.482 0.018 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)c3nc4ccc(F)cn4n3)CC2)CC1 1834400678 RIGBZPGFSMPKFA-UHFFFAOYSA-N 413.457 0.967 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncc(Br)cc1C)CCO2 1834551542 WQNDFKISKUBRPM-GOSISDBHSA-N 422.279 0.856 30 20 HCED Cc1ccc(C(=O)NCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834767280 DCHNBPYTLLMMIZ-OAQYLSRUSA-N 414.462 0.095 30 20 HCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835358977 OUISSDXHPQWJSB-HXUWFJFHSA-N 424.498 0.660 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCCS3)C2)C1 1835675263 LHSAUKATIMOXIV-FQEVSTJZSA-N 422.551 0.745 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1835825521 CEOIWOUINKXJTE-DLBZAZTESA-N 418.538 0.287 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835969874 WGYYZRYLQBQVNQ-GOSISDBHSA-N 409.874 0.543 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1836184401 RQWNREZNFXJIGP-FQEVSTJZSA-N 405.520 1.000 30 20 HCED CC(C)(C)NCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837562795 PZUCCBPRGBNXKK-IQTGRTGDSA-N 420.510 0.543 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3oc(C)nc3C)CCO2)C1 1838000726 XXDUKRKXILINRM-QRWLVFNGSA-N 407.467 0.953 30 20 HCED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838738019 LKSIWWAJUZCKLZ-HXUWFJFHSA-N 413.434 0.821 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839436436 SZDZDHKFISXFMM-NRFANRHFSA-N 424.461 0.641 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1)C(F)(F)F 1839892571 UWJDYCPFLFEVAB-QGZVFWFLSA-N 407.433 0.949 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840160083 WEWUSYHNOXYEMJ-DJJJIMSYSA-N 404.492 0.903 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1840292242 FERPVWUPSKEXBX-IBGZPJMESA-N 410.540 0.653 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cccn3)CCO2)C1 1840443161 XXIRJXMEMLJHMK-SQGPQFPESA-N 421.498 0.701 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)ccc1[N+](=O)[O-] 1840757773 YPLHUJAANKZKDE-IBGZPJMESA-N 418.406 0.587 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1840843060 RKAPKMRMDWMVGI-UWJYYQICSA-N 400.479 0.752 30 20 HCED Cn1c(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cccc1=O 1842351412 QLVYFXPHUZPLJG-IUOVYFEOSA-N 402.451 0.731 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825045 IMDVGFDDNXAGPN-AWEZNQCLSA-N 419.438 0.761 30 20 HCED Cn1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@H]2CCCCO2)c1=O 1847915227 ASWMUCJNGPZRHW-SWMKIMDYSA-N 402.451 0.730 30 20 HCED N#Cc1c(CCCNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)n[nH]c1N 52626691 OSAPIIJGUZEFCL-UHFFFAOYSA-N 411.466 0.383 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(CC)CC2)c1 97288641 YLAKEGDXQRFAMF-UHFFFAOYSA-N 406.552 0.746 30 20 HCED COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccc(OC)cc1OC 409486157 LYOSGBNMENWKAV-HIFRSBDPSA-N 413.452 0.367 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 428269917 RODUHVIGZOKRBW-JKSUJKDBSA-N 405.524 0.954 30 20 HCED CS(=O)(=O)C[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 429372469 MMSNUSHNECZNPL-HOTGVXAUSA-N 410.565 0.823 30 20 HCED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)C2)nn1 442487901 RKMIKMJSPIRHJI-UHFFFAOYSA-N 412.406 0.746 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 443574370 JMIVWGAKLHBARU-UHFFFAOYSA-N 402.501 0.765 30 20 HCED N#Cc1ccc(NC(=O)CS(=O)(=O)c2nnc(N3CCOCC3)n2C2CC2)cc1 447477751 CGNDNHUKLVSVDX-UHFFFAOYSA-N 416.463 0.734 30 20 HCED Cn1nc([C@@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 448231571 SUMZOMJIBHBWHR-MRXNPFEDSA-N 423.477 0.868 30 20 HCED CNS(=O)(=O)NC1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 463201419 FFWCNFZTECCXNW-CQSZACIVSA-N 411.503 0.979 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCCn2nc3n(c2=O)CCCC3)c1 473772980 AWZLQURQICETTR-SFHVURJKSA-N 422.489 0.950 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 474508776 AOHXTWKBKBWFMV-UHFFFAOYSA-N 400.435 0.206 30 20 HCED C=CCN(CC(=O)NCCCN(C)S(C)(=O)=O)S(=O)(=O)c1cccs1 475882156 QOSQWUGHHFJCFE-UHFFFAOYSA-N 409.555 0.323 30 20 HCED COCCOc1ccccc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 476728432 APQXQYAFMAIOFA-UHFFFAOYSA-N 423.473 0.943 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CCOCC3)CC2)cc1 476808673 XNVPQLJLDUYXPM-UHFFFAOYSA-N 400.479 0.864 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCSC 479359598 CHOXDKMLDSRPPS-UHFFFAOYSA-N 416.528 0.482 30 20 HCED C=CCOC[C@@H](NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 482434954 GODUJFSCFMOINX-OAHLLOKOSA-N 400.501 0.513 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)O[C@]4(CCCOC4)C3)CC2)o1 483384266 NBHBGINGCJKHLT-FOIQADDNSA-N 403.483 0.773 30 20 HCED CC1CCN(C[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 487761802 XXCSKYRWRZYPSZ-WBVHZDCISA-N 408.524 0.434 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1C(N)=O 488662392 BEXRHXQBMRAZOD-SFHVURJKSA-N 419.441 0.821 30 20 HCED CC(C)COC[C@@H](O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490839482 XDZVUFWJDWWHPN-INIZCTEOSA-N 400.439 0.286 30 20 HCED C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O 494164345 QCVRMRXVJHWCLX-KCXAZCMYSA-N 407.434 0.262 30 20 HCED N#CCCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)Cc1ccccn1 494561169 ICIFQXAVXRLYMO-OALUTQOASA-N 420.535 0.992 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c3CNC4=O)CC2)c1C#N 500432925 FYTHHJMPKLMUCN-UHFFFAOYSA-N 407.434 0.131 30 20 HCED C[C@H]1CO[C@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501784781 MPTVHOJJHZPFGO-JKSUJKDBSA-N 406.508 0.500 30 20 HCED CC1CCN(C(=O)c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 508305677 MJFTVXNLPDFIAR-UHFFFAOYSA-N 409.450 0.777 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 509321846 MLSXBOYHRKRRLB-CYBMUJFWSA-N 406.464 0.578 30 20 HCED Cn1nnc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccc21 512028990 ZNAQSTCBGVMMDZ-UHFFFAOYSA-N 410.459 0.987 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCNC(=O)c2cccnc2)n1 512744206 KVZCODRVNYMSIM-UHFFFAOYSA-N 421.392 0.763 30 20 HCED Cn1cc(CN2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)cn1 518502427 CYAMVPRITZNUQM-UHFFFAOYSA-N 401.492 0.551 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(=O)C3)CC1 520896646 SWYJBJFXBPXFKY-IRXDYDNUSA-N 416.503 0.587 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1C#N 535503529 IXICNZRRPCKDQF-GFCCVEGCSA-N 415.479 0.611 30 20 HCED C=CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 537520295 TXSDCTNRWUQZLE-ZIAGYGMSSA-N 410.496 0.908 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc([C@]4(C)NC(=O)NC4=O)cc3)no2)C1=O 544913073 ACSRAOMKPJMFLI-IBGZPJMESA-N 424.373 0.268 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)Nc1cnn(C[C@@H](O)CN2CCCC2)c1 545999278 OIIMSGDFYVILOO-INIZCTEOSA-N 412.450 0.797 30 20 HCED Cc1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)ccc1OCC(=O)O 546969337 ARPUJVGQLLCTDJ-UHFFFAOYSA-N 411.480 0.695 30 20 HCED C=CCOC[C@H]1NC(=O)N(c2cccc(S(=O)(=O)Nc3ncccn3)c2)C1=O 553096724 BAOWTEBOSGDTLS-CQSZACIVSA-N 403.420 0.905 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 553562980 BEUMAAIQUCBLHW-MLGOLLRUSA-N 403.526 0.977 30 20 HCED C=C(C)Cn1c(-c2ccccc2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 558963010 JSDLVIDCBXOFKA-UHFFFAOYSA-N 422.493 0.988 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 561069468 WNHWSQCCFHWTBK-OAHLLOKOSA-N 404.496 0.643 30 20 HCED N#CCNC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 561397426 PMKHOKFMUZODFU-UHFFFAOYSA-N 404.423 0.925 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(-c3nc4ccccc4[nH]3)cnn2C)C1=O 573547140 DMXQFCUETBPZCW-UHFFFAOYSA-N 407.390 0.879 30 20 HCED C[C@H]1C[C@@H](CO)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 576882810 QSMNTADNIWOOPW-IRXDYDNUSA-N 420.535 0.484 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 576963019 OUXZLGANRDEEPD-HUUCEWRRSA-N 402.455 0.386 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1cc(C)ccc1C)[C@H]1CCS(=O)(=O)C1 584025167 RINQKTQLVHIHMN-HNNXBMFYSA-N 400.522 0.783 30 20 HCED CN(C)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ncn1 584809829 KZUMASHMEJWTNC-UHFFFAOYSA-N 415.479 0.953 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 585696681 YTWLRSMVTZLCIU-UHFFFAOYSA-N 413.434 1.025 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@]2(CCOC2)O1 589420790 GTQIDWSPZOTKSG-FQEVSTJZSA-N 410.434 0.874 30 20 HCED CC(C)CN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 603557638 KHZGFHYLTRDIDG-KRWDZBQOSA-N 418.519 0.896 30 20 HCED CNC(=O)c1cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1C 603592270 GCWHNFHAEODNGU-UHFFFAOYSA-N 418.479 0.633 30 20 HCED COC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccn1 610297936 IEASGYPRDAQETC-INIZCTEOSA-N 402.432 0.836 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 730540329 OUEFJADETHHCPP-QGZVFWFLSA-N 411.458 0.799 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccccc3F)CC2)c1=O 732408727 RMFSLHYFUOXQQU-UHFFFAOYSA-N 401.442 0.463 30 20 HCED CCN1CCN(CCCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 733882918 YJHIZVAFMVKZKV-UHFFFAOYSA-N 407.540 0.259 30 20 HCED CN(CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)C1=NS(=O)(=O)c2ccccc21 734570209 FSAGAERZQOBCEU-QGZVFWFLSA-N 412.427 0.709 30 20 HCED COC(=O)COc1cccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 734669123 QRLJMDKDVBJZBZ-ISLYRVAYSA-N 402.407 0.564 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)CC1 736074411 AEAJRNWUMAYUJE-HKUYNNGSSA-N 405.543 0.490 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 743889013 BXZFYVJCKVYASP-OAHLLOKOSA-N 418.469 0.835 30 20 HCED C[C@H](CC(=O)O[C@H](C)C(=O)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 745498602 YKTBMOCCNYHNDT-CHWSQXEVSA-N 409.464 0.294 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cn1 746354241 QACYZFGIWIXZNJ-UHFFFAOYSA-N 410.843 0.093 30 20 HCED COc1cc2c(c(OC)c1OC)CCN(C(=O)C(=O)Nc1cnn(CC#N)c1)CC2 746447211 UCLZIYKNXSUDJQ-UHFFFAOYSA-N 413.434 0.998 30 20 HCED CNS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 751567870 SMIXIEMANQVMIE-XDJHFCHBSA-N 416.525 0.767 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cn1 752421412 UBDKLXJWUAOEST-UHFFFAOYSA-N 416.872 0.155 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758430894 ZFVDQWBAIFNCEV-OLZOCXBDSA-N 403.505 0.372 30 20 HCED C#CCOc1ccccc1-c1noc(CCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 761990459 YCCHSTPQBWRICH-UHFFFAOYSA-N 406.402 0.738 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(-n2cncn2)nc1 764867600 BRRPELPEYMXGKG-CYBMUJFWSA-N 411.447 0.517 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)NCCC#N)c(=O)n2Cc1ccccc1 769679171 HMWBJJSQMNXHKS-UHFFFAOYSA-N 410.434 0.084 30 20 HCED C=CCS(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770901019 WZEMOBJIYXOLED-HNNXBMFYSA-N 403.819 0.878 30 20 HCED COc1cc(C=NNc2ccccc2S(N)(=O)=O)cc(OC)c1OCC(N)=O 773114223 SSIMFKSHVMBGTE-UHFFFAOYSA-N 408.436 0.661 30 20 HCED N#CC1(COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Br)cc2)CC1 775826702 SQBYSKZDUCOSFK-LBPRGKRZSA-N 403.254 0.935 30 20 HCED O=C(O)CC1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 776629199 DYVYGKJYNIVNAU-UHFFFAOYSA-N 409.464 0.645 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)CC1 780301631 NFVNAWNMHSGMLI-UHFFFAOYSA-N 420.520 0.376 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 783462216 MGSZYCNBUVHWJF-UHFFFAOYSA-N 419.441 0.298 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCCC)cc1)[C@H]1CCS(=O)(=O)C1 783474801 JSQDQASUWMRXPZ-INIZCTEOSA-N 405.476 0.414 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 783616708 QHQDRGBPURRZDZ-UHFFFAOYSA-N 418.522 0.613 30 20 HCED C[C@@H](OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)NC1(C#N)CCC1 787600676 OSHXBUIAJBOPCF-LRTDBIEQSA-N 410.430 0.874 30 20 HCED C#CCn1ccc(CN(CC)[C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 789331541 CQDGMZJFRLCFBA-MRXNPFEDSA-N 417.535 0.733 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 789808685 CEYIRRGBURZRKT-MRXNPFEDSA-N 405.476 0.664 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(Br)cn2)c1 803574818 IYHLXFYXXGQQQS-UHFFFAOYSA-N 411.281 0.987 30 20 HCED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 807924649 QGPJEUCKFSNNLU-BWHWTHMTSA-N 422.445 0.559 30 20 HCED CC(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 808964295 MYIJJAKLPZOPQK-UHFFFAOYSA-N 407.427 0.761 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cnc1C 813701507 JXEMHWRCCLSMIY-UHFFFAOYSA-N 401.448 0.954 30 20 HCED Cn1c(N2CCOCC2)nn(CN2CCN(c3cc(C#N)ccn3)CC2)c1=S 915203059 MSQRJSWZNRQKEU-UHFFFAOYSA-N 400.512 0.834 30 20 HCED COCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 918639674 HPVGONJQNDHAEF-HGNXGAGXSA-N 422.507 0.933 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 919180835 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GTNXXXHXKJDQAI-XMSQKQJNSA-N 413.474 0.870 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cccc(NC(C)=O)n1)C2 1841054049 GDEAYVBDIFQWME-HJWRWDBZSA-N 411.462 0.715 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1841580039 XAQPTZKQPAZYRD-HNNXBMFYSA-N 418.519 0.632 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CCNC(=O)c2ccc[nH]2)C1 1842014990 GQGRCQYDARSYOR-UHFFFAOYSA-N 414.510 0.620 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842920867 LSNJHDDYGYORTE-AWEZNQCLSA-N 423.514 0.315 30 20 HCED C=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)[C@@H](C)NC=O)C2)N(C(=O)OC(C)(C)C)C1 1845181740 WGAJPCILPVTJKM-CVEARBPZSA-N 420.510 0.890 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1846192343 FHLGSAHFUJFVMU-SPLOXXLWSA-N 417.462 0.677 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 7872417 KMGAAEJLXSAOIH-ZDUSSCGKSA-N 412.464 0.564 30 20 HCED Cc1csc(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 18039135 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HCED CCn1ncc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C(F)(F)F 439832832 DRDPKDZKEBAYIR-UHFFFAOYSA-N 416.404 0.935 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)cc1 440291091 IDPIBLDSANGVOU-CYBMUJFWSA-N 408.480 0.121 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)n1 444510003 BBSRZNWDBWGCMT-UHFFFAOYSA-N 403.826 1.519 30 20 HCED CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465419199 WGCCPMRWLPZAQX-CYBMUJFWSA-N 407.434 0.982 30 20 HCED Cn1c(=O)c2c(ncn2CCN2CCN([C@@H](C#N)c3ccccc3)CC2)n(C)c1=O 471145002 LDAIDLHQXOGZHV-KRWDZBQOSA-N 407.478 0.316 30 20 HCED N#C[C@@]1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOC1 478644166 GHFKPMOASZESCH-SFHVURJKSA-N 409.464 0.705 30 20 HCED N#Cc1ccc(SCC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 487004862 ZMSRNCHVOGITNG-UHFFFAOYSA-N 400.460 0.470 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 499777987 IXACGQWVJBRYGS-UHFFFAOYSA-N 422.283 0.667 30 20 HCED CN1C[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 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COc1ccc([C@@H](CNS(=O)(=O)N(C)CCC#N)N2CCOCC2)cc1OC 530385672 JFQGPWWMJQHSNM-MRXNPFEDSA-N 412.512 0.757 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 540633726 HNLVJGFASDNVGS-LBPRGKRZSA-N 404.496 0.643 30 20 HCED COc1ccc(C(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1OC 543942081 SEFPZORUVPJLQG-UHFFFAOYSA-N 400.439 0.702 30 20 HCED C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 550585969 YNLKMGFTMORPMV-MRXNPFEDSA-N 407.478 0.464 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)ccc1Br 551108354 GCOZDEGBLHPTNP-SNVBAGLBSA-N 401.242 0.149 30 20 HCED CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 554694106 COIOOQHODRHYPG-RTBURBONSA-N 411.506 0.574 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)C1=O 561377466 WDUFZMPCLKADAK-UHFFFAOYSA-N 408.361 0.717 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 578410142 VPUWSDBAEUWNME-UHFFFAOYSA-N 424.935 0.529 30 20 HCED CN(CC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 579538292 HBBIOCOJDUAVLW-MDZRGWNJSA-N 420.491 0.121 30 20 HCED N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)n1 581658860 PGYUMVWQHROWOI-MRXNPFEDSA-N 418.523 0.741 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3cccnc3)CC2)nc1 582026820 XEQRSXFKOBZAPZ-UHFFFAOYSA-N 421.504 0.128 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Cc2ccc(OC)cc2)CC1 583076850 NVEQQZSOADVWHJ-QGZVFWFLSA-N 416.522 0.436 30 20 HCED CN1CC[C@@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1c1ccc(F)c(F)c1 588126131 BECRZAQNYXZZFZ-MSOLQXFVSA-N 405.449 0.930 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@@H](C)O1 603576492 SCWUXEOTDCQDQE-HZPDHXFCSA-N 422.507 0.435 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C 603993143 JQMKIDPGRSQGRY-UHFFFAOYSA-N 413.499 0.428 30 20 HCED CN(CC(=O)NCC1(N2CCCC2)CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 609190544 FKGRYOUPNVOJDN-UHFFFAOYSA-N 420.535 0.940 30 20 HCED CC[C@@H](C)[C@@H](NC(=O)CNc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 609532746 PUUWOMUDBWJROC-OXQOHEQNSA-N 401.511 0.949 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 611564656 UNDQZZQSLJBCIF-SFHVURJKSA-N 412.494 0.469 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726670803 NCSAEQDHMPBLNG-BFUOFWGJSA-N 423.491 0.981 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)ccc1F 729973364 HLSWBWMLCUJWJU-UHFFFAOYSA-N 421.498 0.982 30 20 HCED O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NCCN/C(O)=C1\N=CC=CC1=O 731887004 GBQYNJJWKQXWDP-APOCOGJHSA-N 423.429 0.023 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)c1 734572095 DMQMPVIMYGHDNH-KRWDZBQOSA-N 417.443 0.866 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 742251311 RPYQBJSWORVYQR-OAQYLSRUSA-N 416.497 0.483 30 20 HCED N#Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1N1CCC(O)CC1 743835232 POEMMPVMYOGOPF-HNBVOPMISA-N 424.457 0.620 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 743889540 PGXIIHPKXDZKFW-UHFFFAOYSA-N 405.426 0.777 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1COCCO1 744990460 IBZVRLUKLKRIGF-OAHLLOKOSA-N 401.375 0.325 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cn(CC(N)=O)nn1 745468700 RGKQYWAAEMDMDA-GFCCVEGCSA-N 400.395 0.264 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)cc1 748407759 FXCSBJKESWLHQX-MRXNPFEDSA-N 421.475 0.787 30 20 HCED Cc1c(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 748434179 JDLYJCKKSLJOTK-YUNKPMOVSA-N 415.450 0.540 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(COc3ccc(F)cc3)n2N)CC1 748652505 JAALCYCZMFINNC-UHFFFAOYSA-N 404.471 0.580 30 20 HCED C#CCCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 748672258 SNPDNDBKFHWDKR-UHFFFAOYSA-N 411.549 0.893 30 20 HCED Cn1c(N)c(C=NNc2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n(C)c1=O 749809254 CTAAIFCSBPXODC-UHFFFAOYSA-N 405.358 0.406 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)CC1 751375948 ANPCYMLDWGAVNZ-UHFFFAOYSA-N 411.462 0.601 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](Cn2ccnn2)C1 752253582 TZMKZKHBXANKOX-CQSZACIVSA-N 402.480 0.646 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)Nc3c(F)cccc32)CC1 753960830 VZZWLIHWHSOGNJ-UHFFFAOYSA-N 418.454 0.925 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)c1 756318916 YWFVLIIPZKUMAC-KRWDZBQOSA-N 412.490 0.792 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1=O 762511376 RYAQCYKFIGWRLL-ZDUSSCGKSA-N 403.405 0.070 30 20 HCED CC(CCc1ccc2c(c1)OCO2)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897603 HKFLZSSDYLLVSB-UHFFFAOYSA-N 408.436 0.100 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 773948557 OLZBNWKZUYQLEL-CQSZACIVSA-N 422.507 0.192 30 20 HCED CC(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 775583625 NOGUKDNEDJACNZ-CYBMUJFWSA-N 406.508 0.973 30 20 HCED N#Cc1c(F)cccc1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 778369119 AXNCTPHVAQKCAB-ZDUSSCGKSA-N 409.439 0.185 30 20 HCED CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 778964302 HQDSZLTZGUENEC-SRMPHAGFSA-N 422.507 0.811 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 783619041 ZHPIWOHPIHCHSQ-HNNXBMFYSA-N 416.521 0.475 30 20 HCED CC(C)(C)OC(=O)N1CCC(CNC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 788301372 LMOAFCMZUPJJDF-UHFFFAOYSA-N 407.515 0.854 30 20 HCED N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2Cl)c(=O)n1CC(N)=O 790114108 XOHSLDOJFJPPBN-UHFFFAOYSA-N 424.873 0.320 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 798098425 DDHCTDRABCGIDB-UHFFFAOYSA-N 424.498 0.617 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)OCC(=O)NCc3cccc(C#N)c3)c2C1 803836725 JCWBJRGMRCGVMC-KRWDZBQOSA-N 409.446 0.926 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1)[C@H]1CCCO1 809307968 IJYDBMIQXSICIT-IXDOHACOSA-N 411.524 0.136 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 809678536 FYTVUBJIXIFQKR-UHFFFAOYSA-N 401.236 0.698 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 814547187 UQWNTRUMQWVASJ-CYBMUJFWSA-N 402.407 0.022 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(S(N)(=O)=O)cn2C)C1=O 822009843 SXBAYSUQOWOGGC-QGZVFWFLSA-N 413.500 0.988 30 20 HCED C/N=C(/NCCCN1CCN(c2ccc(OC)cc2)CC1)NCCN1CCOCC1 849055202 LLJYBUDJFSACTE-UHFFFAOYSA-N 418.586 0.705 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCOC 916198498 MUAOARNVTRJTFC-UHFFFAOYSA-N 423.441 0.100 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 916891322 SMGHQSJJGONCIH-KGLIPLIRSA-N 413.521 0.929 30 20 HCED Cc1cc(=N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)c(C#N)c[nH]1 1039642719 OYWAPUKYTCTCHU-POZBKUHFSA-N 405.462 0.563 30 20 HCED N#Cc1cn(CC(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)c(=O)nc1O 1142612771 ZUMSWFLXFKFKBG-GFCCVEGCSA-N 421.335 0.457 30 20 HCED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1ccccc1F 1205633547 YPKNDDJQOVFAHC-ZKJSPLOFSA-N 411.477 0.883 30 20 HCED C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1288600108 XCVBSJWZWIOGGE-DNVCBOLYSA-N 405.478 0.677 30 20 HCED COCC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1318475867 JFEOSQSDGZFFAI-MRXNPFEDSA-N 413.434 0.080 30 20 HCED N#CCOc1cccc(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1 1318521665 PENIHPDKPNNJFF-QGZVFWFLSA-N 410.496 0.877 30 20 HCED COCCn1nnc2c1CCN(CC(=O)[C@H](C#N)c1nc(O)c3ccccc3n1)C2 1330333889 JHPHGIISXDTRSQ-AWEZNQCLSA-N 407.434 0.808 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C(C)C 1497087465 VMMDRTBSIPREKB-HNNXBMFYSA-N 405.503 0.697 30 20 HCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1502424560 NPSQJEOHCNUNRU-UHFFFAOYSA-N 423.521 0.990 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCC(=O)NCCN3CCCCC3)CC2)o1 1569057505 UJRUNXCIMLCOLG-UHFFFAOYSA-N 402.499 0.789 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1655164364 XWBOYFRMALVUJA-UHFFFAOYSA-N 420.944 0.555 30 20 HCED N#CCC1(CS(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)CC1 1660527064 UXEPCYCHMITYES-MRXNPFEDSA-N 419.569 0.221 30 20 HCED C[C@](O)(CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1Br 1663032700 DRJSWBNRYUDZSD-FZMZJTMJSA-N 404.286 0.715 30 20 HCED C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1706753691 IYKCOSUHTKTPDT-CYBMUJFWSA-N 419.511 0.408 30 20 HCED CC(=O)N1CCN(CCn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1741058589 PHNIAOXZHLUJLL-FQEVSTJZSA-N 412.473 0.946 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3[nH]ncc23)C1 1777873650 JPLVRLPLLZYRGV-DYESRHJHSA-N 410.430 0.778 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnn5cccnc45)C3)C2)c1 1778447981 OESIFJZVIPIVCW-FQEVSTJZSA-N 405.418 0.686 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccn4ccnc34)C2)C1 1778579201 WWODYWYVNNPRBJ-QJKPHDSHSA-N 423.473 0.636 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103750 AHFCTEOHLVFWDH-UYKJKJAUSA-N 410.515 0.733 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779141366 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O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H](O)Cc2ccccc2)[C@H]1c1cccnc1 1812773650 WHLXPZKUZLQCCR-WOIUINJBSA-N 421.453 0.779 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccnc(Cl)n2)[C@@H]1c1cccnc1 1812880032 GKGHVLIWNWYTSR-SUMWQHHRSA-N 413.821 0.933 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)n2cnnn2)[C@H]1c1cccnc1 1813466863 AYPFBLWSUAZDQC-JOCBIADPSA-N 411.466 0.373 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@H](C)NC=O)sc2C1 1822884848 XMMJUUUPJZIGLS-MVSYMCDOSA-N 405.480 0.048 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cc1ccc(O)cn1)CC2 1825675303 YPLSZQXZRLGXLB-LLVKDONJSA-N 400.416 0.486 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@@](C)(O)CC(=O)O)sc2C1 1826068434 PJYAIZQLSUXNGT-HNYWDRBLSA-N 423.491 0.709 30 20 HCED NC[C@H](N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1827583747 HPILCENMAPAVEL-CNFINARWSA-N 409.531 0.421 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3Cl)CCO2)C1 1829493244 VXZWESFGNBKIRV-QRWLVFNGSA-N 421.881 0.843 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)CC1 1831285845 NBAARGXXBBHRLJ-HOTGVXAUSA-N 410.492 0.271 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831396370 KWFMOVUDXXJXGX-YKABMDOLSA-N 417.462 0.193 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1831396549 OAGMNIPXZNGXLH-YWZLYKJASA-N 405.451 0.345 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)CC(N)=O)CCO2)C1 1831608084 CPICMPBDSYHXEG-CXAGYDPISA-N 403.426 0.166 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1832462612 PYQYSHROPLRUND-YLJYHZDGSA-N 422.551 0.895 30 20 HCED COc1ccc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cn1 1832586382 ZKGQPPNWRDOGFA-YWZLYKJASA-N 423.535 0.798 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c(F)c1 1833627874 HRJVWSGGJAFSID-OAQYLSRUSA-N 417.437 0.713 30 20 HCED Cc1ccc(CC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1833866761 YNYKRZQERCQISO-UHFFFAOYSA-N 412.490 0.592 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OC)cn3)CCO2)C1 1834531498 BUJJTKXIXSEXGA-QRWLVFNGSA-N 404.467 0.767 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cc1 1835067515 YHFDKHSEQNUQJV-OAQYLSRUSA-N 401.463 0.998 30 20 HCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1835243250 JSGZFYXYLKHPGM-NRFANRHFSA-N 417.462 0.291 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835646967 NJHIXLYUCIPXIX-QGZVFWFLSA-N 416.569 0.379 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncs3)C2)C1 1837440998 MADHGIJIQIOINS-GWJWUGQSSA-N 421.523 0.685 30 20 HCED CC1=C(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCO1 1837442568 ZRFHXGUTGVYUJO-XWRADEMYSA-N 420.510 0.609 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncnn3C)C2)C1 1837661762 GYCSYJKCJHHUQA-FQEVSTJZSA-N 405.499 0.878 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC[C@@H]4CCOC4)C3)C2)c1 1838742150 VAOSDSKFYNDNIS-IERDGZPVSA-N 416.478 0.773 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)c(OC)cc1C)CCO2 1839400027 OLDYHFWQFBPGFM-OAQYLSRUSA-N 402.447 0.715 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)n3ccnc3n1)CCO2 1839550219 WOIJAWRXHOFAFT-NRFANRHFSA-N 411.462 0.521 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccccc4)CC3)C2)C1 1839805637 PQKAMOWKLJOUJH-QHCPKHFHSA-N 411.502 0.993 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(=O)(=O)CC)C2)C1 1839838636 LUGSPRLUOVQDRZ-MAUKXSAKSA-N 402.513 0.090 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840045251 ZEAMRPZDWDCWHD-HXUWFJFHSA-N 420.849 0.806 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)C=C)C2)C1 1840293405 AEUMUDLBUTXLJA-UWJYYQICSA-N 405.495 0.327 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CCc2cccc(C#N)c2)C1 1841259912 HPOUKWNDTQSUKM-SFHVURJKSA-N 414.462 0.759 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)COC(=O)C(F)(F)F)C2 1842920508 UARRDEBEXNMWKB-UHFFFAOYSA-N 404.389 0.577 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)ccc1F 1842946337 BCHFKAXHGGKJHL-MRXNPFEDSA-N 401.442 0.036 30 20 HCED N#Cc1cc(C(=O)N2CCCC23CN(C(=O)[C@@H](N)CN)C3)ccc1Br 1845458339 RNMNIUYZEITFSQ-AWEZNQCLSA-N 406.284 0.424 30 20 HCED CC(C)[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)N1Cc2ccccc2C1=O 1846194811 RJZWUECCBUBLEZ-FQEVSTJZSA-N 423.469 0.958 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CCn4ccnn4)C3)c2c1 1846623710 QSPRKRAEAWWYTG-UHFFFAOYSA-N 404.434 0.933 30 20 HCED C#CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847445916 DXHAGQROKMWJJZ-KKUMJFAQSA-N 409.483 0.196 30 20 HCED N#CC1(NC(=O)COC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCCCC1 19178311 ORHPLEPWWFJACT-UHFFFAOYSA-N 424.457 0.944 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/C[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CC1 304996702 FYVKUEHQEHTRGN-KBPBESRZSA-N 403.549 0.572 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)CC(F)F)cc1 429879023 WDESUEITTPQUSN-LBPRGKRZSA-N 405.423 0.564 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1 440384751 ACXBZCKJFSZGQP-JTQLQIEISA-N 402.379 0.378 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C#N)o2)c1=O 440398300 KTBOEQMNXRJWQA-UHFFFAOYSA-N 412.471 0.392 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)o3)c(=O)n2CC)CC1 440403420 ZYEBKPTYZHZQTC-UHFFFAOYSA-N 411.487 0.062 30 20 HCED CCO[C@@H]1C[C@@](CO)(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1(C)C 444568764 ITTCANHWNKYSQX-CRFBAAHOSA-N 409.508 0.907 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 461784885 JGBIWOJATUMVLO-CQSZACIVSA-N 402.436 0.113 30 20 HCED N#C[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 462408930 PVAWUXDMVYEOQX-MRVPVSSYSA-N 402.226 0.693 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1Cc1nnc2n(C)c(=O)c3ccccc3n12 464860065 VDTLNFXAJSEPJT-AWEZNQCLSA-N 415.461 0.954 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1 465371496 MYBRSWGIOSHXJN-IFXJQAMLSA-N 418.475 0.872 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)c3ccccc3C2)nn1CCC#N 478173136 QNBSEHDWMTXCOQ-UHFFFAOYSA-N 401.448 0.860 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 478436461 NXLYGEGIZMPAKQ-UHFFFAOYSA-N 420.516 0.733 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)cs1 488975182 NJQCYCAWTJCGDS-UHFFFAOYSA-N 419.532 0.946 30 20 HCED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1cccc(Br)c1C#N 490083531 CFHVDLOAENFZCC-SNVBAGLBSA-N 422.326 0.975 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C1=O 497989112 HEKMGPQQWWZKRX-HOTGVXAUSA-N 408.449 0.929 30 20 HCED CCCCN(C(=O)Cn1cnc(C#N)c1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 499486035 SHXQXJPSURJFHO-UHFFFAOYSA-N 412.454 0.960 30 20 HCED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)Cc1nnnn1C 508825826 GLWBVFLQXLKWMG-UHFFFAOYSA-N 416.515 0.893 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 511713259 DQHDEXSEJCFNST-AWEZNQCLSA-N 408.480 0.682 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)n1 512378882 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0.303 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)C(C)C 551219313 VCSDPTHKJWEWNG-SFHVURJKSA-N 400.527 0.940 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 559566543 PQKJXUWJNYENSZ-MOPGFXCFSA-N 415.490 0.873 30 20 HCED Cc1cnn([C@@H]2CCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)c1 567433749 ZMFNLZYLGUWILF-MRXNPFEDSA-N 404.434 1.364 30 20 HCED CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572074441 WOCDEIFLRSHDKY-ROUUACIJSA-N 400.479 0.641 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)c1C#N 577985918 QFAURIZVDFBHNP-USXIJHARSA-N 412.494 0.323 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 580221876 SDDSINGVJFEWBR-NVXWUHKLSA-N 417.485 0.619 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCCN3CCCCCC3=O)CC2)c1 585688935 FDEVLWAQVHPROK-UHFFFAOYSA-N 412.494 0.511 30 20 HCED N#CCNC(=O)CNC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 588229649 LDCRTWNLQKQJEZ-UHFFFAOYSA-N 402.455 0.121 30 20 HCED 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CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N 787601688 FTRSFTPIEWQJOT-AGIUHOORSA-N 404.423 0.488 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cc(C(N)=O)ccc2F)n1 789789082 ZAWGWTYLLBUFIB-UHFFFAOYSA-N 401.398 0.368 30 20 HCED C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C2=O 793200573 CTYKFZJBUSJARX-KPZWWZAWSA-N 410.496 0.873 30 20 HCED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 804436160 MPHTZEPBSRXKCB-HZPDHXFCSA-N 420.535 0.827 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2cc(F)ccc2OC)CC1)[C@@H]1CCCO1 809309911 HPRRFBPKAIXHLQ-MJGOQNOKSA-N 403.454 0.776 30 20 HCED Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250490 RJVPNUAJIIJALP-LBPRGKRZSA-N 408.430 0.407 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(Br)cc1 854480864 MEWZDGGJYAWCKQ-SNVBAGLBSA-N 403.254 0.409 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCCC[C@H]1C(N)=O 914819718 VCPBQBBKFYAGQX-INIZCTEOSA-N 412.450 0.560 30 20 HCED 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HCED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433906886 IBVCEUBWLVJHMV-CQSZACIVSA-N 401.442 0.791 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)o1 438249016 PUARBNKLXHQOCA-UHFFFAOYSA-N 423.451 0.931 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 442132742 UMDOWTKPDGTERS-MLCYQJTMSA-N 421.360 0.593 30 20 HCED C[C@@H](O)CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)CO 443311792 TVUJSBKINJAYKP-HUUCEWRRSA-N 417.466 0.518 30 20 HCED N#Cc1ccccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 443482438 HTKCRRFBWUQRMB-MRXNPFEDSA-N 400.460 0.439 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cnnc3[S@@](C)=O)CC2)cc1 444405742 SZNUPHMOWCYZGY-WVDZOPJMSA-N 402.480 0.433 30 20 HCED COc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)cc1 444586810 RKSLEPNHQUORMA-INIZCTEOSA-N 410.434 0.661 30 20 HCED Cn1ncc2c(N3CCN(C(=O)Cn4cc5c(c(C#N)c4=O)CCC5)CC3)ncnc21 447423363 QPMMVEWXYKFBGL-UHFFFAOYSA-N 418.461 0.234 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C)CC(C)C 460612336 HRAZZPKUYFQUQE-HNNXBMFYSA-N 412.450 1.337 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](CO)Cc1ccccc1 460612951 FFVIXWRPCFYCCS-SFHVURJKSA-N 418.457 1.353 30 20 HCED N#C[C@H]1CN(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 465947261 GKFHKWXBIGNIJS-UXHICEINSA-N 412.538 0.993 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CCO1 467638371 XDQHIMPGISZHPF-LBPRGKRZSA-N 401.814 0.883 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)C2)n1 471811693 PJBKAAPPIBDIHD-DOTOQJQBSA-N 420.539 0.510 30 20 HCED Cc1cc2c(cc1NC(=O)C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)OCO2 472877608 RJKSVSISSYQVPW-UHFFFAOYSA-N 410.434 0.925 30 20 HCED Cn1c(=O)ccn(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c1=O 473586631 IYLOBSKHZQAONL-INIZCTEOSA-N 401.854 0.609 30 20 HCED C=CC1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 475263114 IISSNTIAHUBYIR-GJZGRUSLSA-N 403.483 0.882 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)n2)c1=O 479378683 PGNFFTMMGVFNKJ-ZDUSSCGKSA-N 414.487 0.154 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 481470250 WYKGLGGIPVGVPL-LBPRGKRZSA-N 412.468 0.739 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](C)CN1CCN(C)CC1 482172582 DBVMMKFFYLVOLO-CVEARBPZSA-N 407.540 0.225 30 20 HCED N#CCCN(CCN1CCOCC1)C[C@@H](O)Cn1c(-c2ccccc2)noc1=O 484901327 ZDAANGACJLBFHV-GOSISDBHSA-N 401.467 0.412 30 20 HCED CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 488262603 KEZROAHHYDCUBF-DLBZAZTESA-N 404.492 0.878 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cnc1C 489816298 ZPFARIOUYSTKNP-UHFFFAOYSA-N 418.479 0.601 30 20 HCED CN(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 489975082 BBCHVEUYMZXEKY-IRXDYDNUSA-N 419.507 0.729 30 20 HCED COCCn1nnc2c1CCN(C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C2 499176276 MEOKONZCFDHDFK-IBGZPJMESA-N 408.462 0.872 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@](O)(C(N)=O)C2)ccc1OCC(F)(F)F 505471800 NENNXWONHRBMMP-MRXNPFEDSA-N 414.340 0.277 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 506934182 OKFVASRTDQATDI-UHFFFAOYSA-N 408.480 0.683 30 20 HCED C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N1CCOCC1 506945019 WPAPQHGWRNMSTL-UHFFFAOYSA-N 406.464 0.772 30 20 HCED CN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O 507408099 SLCJNORLJVQVLE-KRWDZBQOSA-N 411.462 0.897 30 20 HCED C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508309575 SCLJIEDJGGNKHM-AWEZNQCLSA-N 409.450 0.919 30 20 HCED C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508908176 QZEDYXSWFOSSFO-MRXNPFEDSA-N 410.478 0.405 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C3CC3)C1)CC2 511692102 PGCCXOOPOFKTCU-HNNXBMFYSA-N 416.503 0.768 30 20 HCED CCn1c(N)c(C(=O)CN2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513979899 LHGHWVRXXMJUHA-GIPWTMENSA-N 408.418 0.079 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 516760339 MHRLJDINKYUWNZ-SFHVURJKSA-N 402.520 0.987 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 544561780 OIXOGXOIDHPICM-UHFFFAOYSA-N 402.388 0.995 30 20 HCED CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549830935 XDCFKKSBMVEGGQ-UHFFFAOYSA-N 420.481 0.808 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)c1 551571911 LQHSFHFYKVUJKV-UHFFFAOYSA-N 423.310 0.539 30 20 HCED N#CCNC(=O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 553310260 IWIDEUOPSCKCOI-GFCCVEGCSA-N 412.233 0.954 30 20 HCED N#CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 557784166 DWTGJLCERISBEK-UHFFFAOYSA-N 406.489 0.639 30 20 HCED C[C@@H]1Cc2ccccc2N1CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 560855804 MDKYIVSKGDMJAR-CQSZACIVSA-N 409.494 0.822 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 564071378 UOVPYNSYABGKIZ-BCOMRZATSA-N 416.503 0.193 30 20 HCED CC[C@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 564204154 LMNYEFIHMWUCTR-IBGZPJMESA-N 422.507 0.322 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)CN2C(=O)N[C@H](CCS(N)(=O)=O)C2=O)c1 564280087 GQJBWLIISCHSLW-OAHLLOKOSA-N 421.479 0.149 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)S(N)(=O)=O 564482379 OUYQXPQOWKBQQM-LLVKDONJSA-N 403.420 0.477 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)O)cc1Br 571479004 PDKKTJFCHNTYBJ-WIUDPPPLSA-N 407.267 0.527 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 573361434 HWQNLAGDBJUDBJ-UXHICEINSA-N 412.534 0.960 30 20 HCED CC(C)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1nc(-c2nc[nH]n2)no1 578551534 RRTBYIYPIBTPNO-CYBMUJFWSA-N 402.440 0.882 30 20 HCED COC1(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCOCC1 588647161 YZMKUVJMJGLOSH-UHFFFAOYSA-N 402.495 0.760 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 588866021 HXNWMYGVBGOVJJ-BHIYHBOVSA-N 409.490 0.722 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2CO)CC1 610657107 CVFYRFZNTAOMBF-KRWDZBQOSA-N 406.508 0.238 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3cccn3C)CC2)CC1 611371067 IZOQXROIUJCDTD-LJQANCHMSA-N 400.527 0.475 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1C 617622022 KIFXZIYCPBDVBY-MAUKXSAKSA-N 410.471 0.680 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 685085509 MQFAQMDVLJLBRP-ZFWWWQNUSA-N 415.537 0.548 30 20 HCED C=CCOCC(=O)OCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 729765301 FGNREGIVDRNPNV-UHFFFAOYSA-N 412.464 0.700 30 20 HCED CN1CCN(C)[C@H](CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 732474533 FAEASBSOXRTVAT-USCXLKSCSA-N 422.555 0.867 30 20 HCED CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 737304469 IVBHRTOLDXRRQM-ODENVGOISA-N 424.523 0.961 30 20 HCED COC(=O)CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(C)n1 741938392 WUOLIQIZOSQXGW-UHFFFAOYSA-N 402.432 0.635 30 20 HCED C[C@H](CC(=O)N[C@H](C)CN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742646563 PPMZSFOBWDOWGX-HUUCEWRRSA-N 407.540 0.256 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 743975057 LXCBSBFQIICDQF-OAHLLOKOSA-N 413.409 0.740 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 747021396 RTEKGGFIZQXUKG-AWEZNQCLSA-N 417.447 0.402 30 20 HCED CCOC(=O)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 749653565 BGJCWSIRCVUHHF-OAHLLOKOSA-N 409.487 0.732 30 20 HCED O=C1CCCC[C@@H]1[C@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 752910613 RPBAHFSPUUEVCA-UKRRQHHQSA-N 405.476 0.712 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C#N)o2)c1=O 758083492 MYJBYEQCRXBSGH-UHFFFAOYSA-N 410.455 0.054 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 766816355 MYFRIWVYMFCLRV-UHFFFAOYSA-N 408.480 0.224 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCc1ccccn1 767882932 JZIOCQMTZXIDGY-UHFFFAOYSA-N 423.523 0.809 30 20 HCED CCOc1ccnc(N2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 769341384 SRGPCRZESLNIPF-HNENSFHCSA-N 414.466 0.831 30 20 HCED C#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C#C)cn3)[C@H](C(=O)N(C)C)C2)nc1 771558694 GFJWWPSWGOAJTR-FQEVSTJZSA-N 415.453 0.494 30 20 HCED CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCN2CCNC(=O)C2)cc1 781104294 QQXAVSBREYOWQE-MRXNPFEDSA-N 417.535 0.748 30 20 HCED CC(C)(C#N)COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 781466506 DNQKVOJNQYWJIA-AWEZNQCLSA-N 402.494 0.861 30 20 HCED CNS(=O)(=O)c1ccc(CCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782522162 VJHZMPRKWBFUGU-UHFFFAOYSA-N 415.431 0.891 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 786365319 NBMLHHRNXAPSFY-BBOXDSQKSA-N 417.462 0.813 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)[C@H]1CCCO1 787175814 KELPXPHOQWRPCF-HZPDHXFCSA-N 417.462 0.123 30 20 HCED C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 792746328 LKJIWOMYIXYVTC-TWKDPSLCSA-N 422.532 0.682 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2nc(-c3cccs3)no2)c1=O 795635664 MYEUZBLVWWXGHK-UHFFFAOYSA-N 416.463 0.745 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccccc2S(=O)(=O)NC)c1 799763825 HAGAZNLRIUJQDH-UHFFFAOYSA-N 407.473 0.493 30 20 HCED CCn1c(S)nnc1[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCOC)C1 800055564 QJVDPNWCKAYKNA-ZDUSSCGKSA-N 402.546 0.873 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1=O 800131542 XEXBGZXJJXCYIM-BBRMVZONSA-N 401.489 0.631 30 20 HCED C#CCC[C@@H](O)CNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 803355169 MAXAXEOHUNUIDX-CQSZACIVSA-N 402.513 0.691 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 808470756 HXVZWVBJDLUPRE-WRFANHODSA-N 410.405 0.237 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812279880 VSBHJVQHUREUBY-UHFFFAOYSA-N 419.457 0.489 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2c(I)cnn2C)CC1 814110506 RRBBKSAOWKWUOE-UHFFFAOYSA-N 400.220 0.626 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914652402 LAJJIDLFNZADCO-ZBFHGGJFSA-N 419.459 0.270 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCCN(C)S(C)(=O)=O)ccc1F 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30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)c(C)c3)C2)C1 1831386244 DKDXKQAHMWHOFZ-XMSQKQJNSA-N 415.490 0.807 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn(C)c3=O)C2)C1 1831418584 DTAZZZYDLISXEN-HRAATJIYSA-N 419.478 0.046 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832166330 MXJXNABLXCWRPV-IAOVAPTHSA-N 408.417 0.968 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832167059 VJNKQXAFDDXQPU-MSOLQXFVSA-N 420.428 0.950 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnc3)C2)C1 1832446812 HFYBMYPCLBMLJV-APWZRJJASA-N 408.524 0.820 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833162342 VXQPPBCDYKOPDL-NRFANRHFSA-N 418.494 0.458 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC(N)=O)CC2)CC1 1835054037 LOGFBMPIBYNEMO-YJBOKZPZSA-N 421.542 0.043 30 20 HCED CC(=O)N[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)(C)C 1835352428 ZDYUGVNSZWNISA-FXAWDEMLSA-N 408.499 0.297 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1835354477 YAUHBOLCHDZREA-NRFANRHFSA-N 424.461 0.641 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1835518592 NNRDDJMYHQADOD-VGOFRKELSA-N 414.506 0.542 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835628469 SBUJPCAKHZMKAZ-KUHUBIRLSA-N 423.470 0.436 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Nc1cccnc1)CCO2 1835696534 RSKBKEFBRXKUFV-DOXZYTNZSA-N 408.524 0.657 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835827747 VDCQRBVUWSXUTP-MRXNPFEDSA-N 400.523 0.662 30 20 HCED Cc1n[nH]c(C)c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835870706 DUBJJEMZIFYSBX-UHFFFAOYSA-N 401.467 0.300 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1837395171 RONOKMZKNONHQI-UWJYYQICSA-N 420.510 0.372 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)o1 1837454609 GFAXERFCWLPNPR-KZULUSFZSA-N 411.480 0.626 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837670229 AXWOSFGXGLZVFF-KKSFZXQISA-N 405.495 0.161 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 1838443851 MEJQBAMADFMTRK-UHFFFAOYSA-N 419.394 0.018 30 20 HCED Cc1cncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838734681 HMDYAYGQZVYGED-NRFANRHFSA-N 409.446 0.974 30 20 HCED Cc1nccn1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838953219 RZZOGMWRZUKLBE-JOCHJYFZSA-N 423.473 0.833 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nc(CO)[nH]c4c3)C2)C1 1840173380 UNKBBPQSYKBOLU-NRFANRHFSA-N 414.462 0.701 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1840295283 GTSREKYYBKKYIJ-OAQYLSRUSA-N 416.478 0.505 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc3c(c1)CCNCC3)C2 1841055624 NZENGXGNIFCMNK-PLNGDYQASA-N 423.517 0.445 30 20 HCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842808534 KUHTYQQMLHHMJZ-UHFFFAOYSA-N 423.510 0.580 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CC(N)=O)C2 1847069846 PDTUQYPKCMPRDH-LSDHHAIUSA-N 420.510 0.618 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC(=O)N(Cc2cccs2)C1 1848148855 KIUTYFBGTCGGGR-BPUTZDHNSA-N 415.471 0.386 30 20 HCED C=CCOc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1OC 105484201 YEIURZGCCCRKPS-UHFFFAOYSA-N 403.479 0.877 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409594131 KXARFCWYGIJZOM-INIZCTEOSA-N 412.475 0.698 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 410115410 GTQAJUIQANFHJU-GXTWGEPZSA-N 402.498 0.057 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1 426779296 GHJKBXDLUHQIFE-LRTDBIEQSA-N 419.445 0.754 30 20 HCED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 428400017 CIUCBXZOCPDMHU-UHFFFAOYSA-N 414.431 0.688 30 20 HCED CCS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 433341483 GIQOLPYMBPTLEH-UHFFFAOYSA-N 422.326 0.881 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1 433664089 MGIHDYNZTODVFN-CYBMUJFWSA-N 408.480 0.826 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)[C@H](C)CC#N 439327201 RMYKTNNZGQHHPU-CQSZACIVSA-N 401.467 0.782 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 441512415 MMQKTTNIJVPFOT-SJORKVTESA-N 407.478 1.329 30 20 HCED COC(=O)C[C@]1(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOC1 464612204 XGBPXJGIRWALKG-DNVCBOLYSA-N 406.508 0.769 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1 465385342 APQPONYVAORUTA-ACJLOTCBSA-N 406.464 0.259 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)oc3C)CC2)c1C#N 471699931 FDGBOEBDEGDGLW-UHFFFAOYSA-N 420.495 0.714 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C)cn2)c1=O 474326189 ASPRYPORRATJHN-UHFFFAOYSA-N 400.529 0.712 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 477288155 BMJRJHJOACYBQC-UHFFFAOYSA-N 402.407 0.759 30 20 HCED CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 479074654 WUPAWZXODMHJFH-HOTGVXAUSA-N 423.491 0.748 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)[C@H]3CCOC3)n(C)c1=O)OCO2 488992029 YXYKIDCPMLUHOS-NSHDSACASA-N 414.439 0.293 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501808417 YWKSLBUBYHDFRZ-MRXNPFEDSA-N 421.523 0.295 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 507672729 BUYDDXJHTGQXFU-UONOGXRCSA-N 408.480 0.730 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 507751888 ZNEZAQLRUPGQRQ-ZWKOTPCHSA-N 407.559 0.876 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1 508957863 GDTBZDGNFNMSLG-UHFFFAOYSA-N 419.441 0.513 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CS(=O)(=O)CCO1 511452121 AGIRCXOTRIHLLL-CHWSQXEVSA-N 411.505 0.807 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 514806459 WHELCSLPIGRPAJ-RHSMWYFYSA-N 422.507 0.321 30 20 HCED CNC(=O)CCOc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 517632021 UEOKKYVTDLCCTM-UHFFFAOYSA-N 416.459 0.990 30 20 HCED Cc1c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cccc1C(=O)N1CCSCC1 518516275 WARNQDBHPAPJIQ-CQSZACIVSA-N 402.476 0.874 30 20 HCED COCCCNC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 538136967 KBMOUWFXFBCEGB-IBGZPJMESA-N 407.559 0.543 30 20 HCED C=CCNC(=O)CNC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 540755623 AYUJUUYYRVUVMF-UHFFFAOYSA-N 402.542 0.923 30 20 HCED CN(CCCNC(=O)CNc1ccn(-c2ccc(C#N)cc2F)n1)S(C)(=O)=O 542004878 CYIYTXCOXZQPGN-UHFFFAOYSA-N 408.459 0.693 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cs1 548753283 SXNLTLJQVHSUHS-INIZCTEOSA-N 405.505 0.856 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2sccc2C#N)C1 550806291 IAPXJWQXBQIMMR-CYBMUJFWSA-N 414.509 0.457 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 550895882 VXBZSMZEJAJGPR-UHFFFAOYSA-N 406.446 0.278 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCOC[C@@H](C4CCC4)C3)n2)cc1 551367239 ZPSBRFDAMXIMJY-SFHVURJKSA-N 408.462 1.412 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 555289838 FZKWRTKVIKFVKA-UHFFFAOYSA-N 417.514 0.263 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 561453693 OMGCSLLQDNQBNN-LJQANCHMSA-N 401.511 0.285 30 20 HCED Cc1nsc(N2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 565392761 LTTZWGXAHSMIEG-UHFFFAOYSA-N 420.520 0.735 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 574310408 IQXUKYWHUNMGON-KNQAVFIVSA-N 412.490 0.657 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 603674197 MPDOYYNTUCJUKE-QGZVFWFLSA-N 417.491 0.875 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)cc1 604371234 HGRYAPRIRWCMME-SFHVURJKSA-N 422.551 0.287 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1 605162380 TYBBAWWNWBBNLD-MRXNPFEDSA-N 403.464 0.420 30 20 HCED Cc1ccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1S(=O)(=O)NCC#N 609414344 DZCHGGHJMGFSEB-UHFFFAOYSA-N 416.507 0.488 30 20 HCED N#Cc1cccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@H]2CCOC2)c1 619858704 QQJRENZFRWYLDP-WBVHZDCISA-N 421.461 0.000 30 20 HCED C=CC[C@@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 679819562 PYQGVOQGAQSCJN-XPKDYRNWSA-N 402.900 0.765 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)CC1 728570574 FQEZTNWMXDBSOX-KRWDZBQOSA-N 416.522 0.638 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1 729256963 OVJTVSWGLOZJPT-UHFFFAOYSA-N 409.490 0.379 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 733148730 JXUMJEQHCKJDNV-FQEVSTJZSA-N 410.518 0.940 30 20 HCED CNC(=O)Cn1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 742559853 YFMFQOPOKUJEPQ-NSHDSACASA-N 404.452 0.085 30 20 HCED COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)NCCO)s1)c1cccc(C#N)c1 751669591 YQZVSFXXVXSIHU-OAHLLOKOSA-N 424.456 0.961 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)N(CCC#N)CCN2CCOCC2)c1 753136737 PTWXJPZPAVUOIN-UHFFFAOYSA-N 410.496 0.557 30 20 HCED CC#CCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 756143907 XJHBBXDPALKJMY-HKBKRHGFSA-N 412.533 0.910 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 756890026 APKHFSACQVBTRW-NISPOYCLSA-N 418.450 0.024 30 20 HCED O=C1NC(=O)C2(CCC(=NNc3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)N1 758108167 RGFZQGRBHHCMCC-UHFFFAOYSA-N 406.468 0.786 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 758752487 MQVSECQFVHNWMV-HRCADAONSA-N 421.498 0.778 30 20 HCED C#CCN1CCN(C(=O)c2ccc(C(=O)N3CCN(CC#C)CC3)c([N+](=O)[O-])c2)CC1 760429329 FPBXHRRCLAEQHT-UHFFFAOYSA-N 423.473 0.377 30 20 HCED COc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)n1 761162660 XODZBEDWZFQULY-UHFFFAOYSA-N 414.397 0.814 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c1 764941355 YJXUXZVQBLEPBE-UHFFFAOYSA-N 420.473 0.642 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](CC(=O)O)C1 767182340 KDGNQTBKFCLPLM-HIFRSBDPSA-N 423.491 0.842 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCC(=O)N1CCN(c2ccccn2)CC1 767540672 YKGWNMIYDKWQLX-HNNXBMFYSA-N 417.466 0.454 30 20 HCED CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 767676893 PSAARQLVJGCSMO-YOEHRIQHSA-N 423.491 0.652 30 20 HCED CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2cn(C)nc2C(=O)OCC)NC(=S)N1 769851988 FQZVXTFZJSYUHC-GFCCVEGCSA-N 406.464 0.912 30 20 HCED C#CCN1CCC(C(=O)O[C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 772115437 HCUSMCNTTLQPSM-MRXNPFEDSA-N 401.463 0.841 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 773305108 HKEHVMWCMXKKBH-UHFFFAOYSA-N 407.492 0.262 30 20 HCED CN1C(=O)C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 773660206 WUFLJEJMFSREMH-CYBMUJFWSA-N 406.464 0.159 30 20 HCED C#CCCN1CCN(C(=O)[C@@H]2CC(C)C[C@H]2C(=O)N2CCN(CCC#C)CC2)CC1 775825918 HLDUVYQOJZTTMI-FGZHOGPDSA-N 412.578 0.984 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@]2(C1)C(=O)Nc1ccccc12 777849420 MKZSUZTUDJXFLN-HXUWFJFHSA-N 410.455 0.848 30 20 HCED 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COc1ccccc1CC(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835362270 JOWCJWGSTRCUFL-NRFANRHFSA-N 401.463 0.998 30 20 HCED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835382419 REITUVKQFUVMNG-QFIPXVFZSA-N 414.506 0.509 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)ccn3C)CC2)CC1 1836110447 QGEGPTDOTKPCDT-CQSZACIVSA-N 406.552 0.889 30 20 HCED Nc1n[nH]c(CCC(=O)N2CCC(OC3CCN(C(=O)C#CC4CC4)CC3)CC2)n1 1836824623 REEYBUAVZCPPBX-UHFFFAOYSA-N 414.510 0.732 30 20 HCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836995281 JFGAHWAYYNNGFK-UHFFFAOYSA-N 416.478 0.604 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561470 NAVMIGATNSJOND-SWHKHVPSSA-N 415.450 0.202 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)CC2)c1 1837782933 YDHRSHWVCSLFSW-QGZVFWFLSA-N 413.478 0.777 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352824 SXWYPUZMKZILHZ-MGPUTAFESA-N 404.467 0.767 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccncc3=O)CC2)CC1 1838724073 KGZPFMWLWTYHEM-CQSZACIVSA-N 408.524 0.560 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(C)=O)CCO2 1839875693 SLYRPHXAFJKTES-IIBYNOLFSA-N 407.511 0.736 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc(C)c1O 1840045167 UVPHOZWRZCXJSO-OAQYLSRUSA-N 416.430 0.167 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3C[C@@]3(F)Cl)CCO2)C1 1840242126 JWUMDHQMNHSTIV-BODMPHMZSA-N 404.866 0.958 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840357202 UKRRCQCKTVJDFG-QFIPXVFZSA-N 423.473 0.176 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1840608740 SFRAPTQHYAFYFC-MDPIYQRISA-N 411.458 0.521 30 20 HCED Cn1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cccc1=O 1840813278 RAVKDHYNVLMEEI-OAQYLSRUSA-N 414.462 0.149 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)CCC1 1840815859 KGBBREPDJDQHCK-HXUWFJFHSA-N 415.450 0.006 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840885982 MCOQJCVXHJAZDD-NRFANRHFSA-N 408.495 0.836 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847641353 MJXDBRYPYXDMSJ-ULQDDVLXSA-N 405.495 0.877 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 24797406 NRXHVYXRRCBVTH-CYBMUJFWSA-N 413.500 0.388 30 20 HCED CCc1nc(CN(C(C)=O)[C@@H]2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)C2)no1 409481329 AXJFDWYGSBYTNI-DZGCQCFKSA-N 412.516 0.781 30 20 HCED C=C[C@@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 426859675 RQOAZQKXNCXNSW-BHDSKKPTSA-N 409.291 0.780 30 20 HCED Cc1c([C@H]2[C@H](CNC(=O)C(=O)N3CCc4ccc(C#N)cc43)CC(=O)N2C)cnn1C 427675709 ACMIWTZXENUHSA-OXJNMPFZSA-N 420.473 0.825 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C1=O 430448801 IGSHJDAJMRDSJV-HRAATJIYSA-N 417.437 0.992 30 20 HCED CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)C(=O)N1CCOCC1 438730015 CEJHHDZVLTUKFW-LBPRGKRZSA-N 410.377 0.852 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1 461477433 FEMAYUUOTDKNQR-CQSZACIVSA-N 411.553 0.718 30 20 HCED CNS(=O)(=O)c1cc(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c(C)o1 461749510 NQSUUTPUMWFSBK-UHFFFAOYSA-N 400.420 1.509 30 20 HCED CO[C@H](C)c1noc(CN2CCCN(CC(=O)N(CCC#N)CCC#N)CC2)n1 470371032 COPZUBHWNGTNIV-MRXNPFEDSA-N 403.487 0.941 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 471793373 MYGOEOKDCHMPEI-CYBMUJFWSA-N 409.468 0.687 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 473226026 SSZGJAZEGITFHH-GCJKJVERSA-N 408.458 0.697 30 20 HCED C[C@@]1(C2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)NC(=O)NC1=O 476262053 VRUHLOGLMLYTFE-JTSKRJEESA-N 423.473 0.886 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@]2(C#N)CCOC2)c1 478661710 MJBBOSHLCGVWIO-SFHVURJKSA-N 408.480 0.246 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 480954775 HTOIYXSRWURECF-BXUZGUMPSA-N 400.482 0.657 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@H](C)CS(C)(=O)=O 482197347 GNULMCLHAWJYKZ-OLZOCXBDSA-N 413.521 0.649 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 484260503 YISAKKUQEAZEAE-HOCLYGCPSA-N 415.537 0.776 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC(=O)N(CC(F)(F)F)C2)cn1 488664563 JNDMMEAIEPIYDG-UHFFFAOYSA-N 407.312 0.268 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C(F)(F)F)c1=O 489002422 RRHYIFDIPHCUJM-UHFFFAOYSA-N 423.416 0.827 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 493953508 URBQTNSURKDQKS-AWEZNQCLSA-N 408.480 0.824 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2C)c1=O 502006800 DPBALYCLUUPWAQ-UHFFFAOYSA-N 408.487 0.836 30 20 HCED C=CCc1ccc(OCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(OC)c1 503116387 BMHKPWZVZGWXDU-DLBZAZTESA-N 424.519 0.417 30 20 HCED CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1 509972879 OYDNUMYJDQTULW-GFCCVEGCSA-N 413.887 0.537 30 20 HCED 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C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 553079337 KTMLXKVYDYNSRV-UHFFFAOYSA-N 400.435 0.729 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)cc1Br 563500101 COLNGKLJYFLCLN-PRHODGIISA-N 416.253 0.660 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)n1 568574284 DFVBDRXEMYEZNY-UHFFFAOYSA-N 403.251 0.551 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)Cn1cccn1 585737189 XDWSQCKPFSIGHU-AWEZNQCLSA-N 411.466 0.721 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(C)CC1 586850969 DZNHWSQQCWSWCG-HNAYVOBHSA-N 411.506 0.622 30 20 HCED Cc1cc(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)nc(C(C)C)n1 588124647 DYUPHYTXYFKSTH-UHFFFAOYSA-N 413.526 0.661 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCS1(=O)=O 589405888 IMYCMWRFZSDNPU-UHFFFAOYSA-N 402.436 0.113 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 603875652 BERCEMTZKFWVKU-INIZCTEOSA-N 400.483 0.673 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604168548 CNBQKAOMWFAEOV-UHFFFAOYSA-N 406.446 0.942 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)NC3CCN(CC#N)CC3)cn2)C[C@@H](C)O1 610478746 AMNRMRAKNCMYJK-GASCZTMLSA-N 403.487 0.628 30 20 HCED CC(C)(CO)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 611430772 NXVIRCLYOHHYHA-QGZVFWFLSA-N 405.568 0.845 30 20 HCED CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCC#N)CCOC)c2ccccc2O1 615255024 XMENRJFKUOJCOC-KRWDZBQOSA-N 402.451 0.695 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 615256975 IOVFASDKUYWGBV-UHFFFAOYSA-N 418.450 0.251 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 618880074 BKXDDBIBPUPUAW-SFHVURJKSA-N 408.462 0.829 30 20 HCED CN(C)S(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 619738225 XQRLUHHXGDAFQN-UHFFFAOYSA-N 405.484 0.194 30 20 HCED C=C(C)Cn1c(COC)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 670218503 YFVYGQCZISOIHP-HNNXBMFYSA-N 401.533 0.877 30 20 HCED COCCS(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 727828848 PCOALLQFFYSCJT-UHFFFAOYSA-N 415.537 0.316 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)CC1 729257268 ZBFGBBSRMFHSQW-QGZVFWFLSA-N 412.490 0.474 30 20 HCED N#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 731238111 WCOPPXKPJBDXFU-UHFFFAOYSA-N 400.844 0.319 30 20 HCED N#CCN1CCC(NC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 732704505 XBHBXJAYRWUFLQ-UHFFFAOYSA-N 411.450 0.835 30 20 HCED CC[C@H](C)[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 732899441 VNWHFFJMTGURRI-XAFZNTTCSA-N 424.523 0.961 30 20 HCED C#CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 732919999 CKHHTIUMZLIMFK-UHFFFAOYSA-N 424.486 0.832 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1CCOC 736582138 IOMOMQAAQRSPDA-UHFFFAOYSA-N 404.517 0.435 30 20 HCED CC(C)CCS(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744123648 PPXPPTVFJGLGDK-LBPRGKRZSA-N 401.510 0.996 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 745813882 SDODOTYQUANJPS-PCEUPSMYSA-N 423.473 0.969 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cc(C(N)=O)cs2)CC1 755891644 JGASXBBLJSKXAY-UHFFFAOYSA-N 408.509 0.624 30 20 HCED Cc1ccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)cc1S(=O)(=O)NCC#N 756944549 LOSZALMAHZBOMZ-AWEZNQCLSA-N 417.534 0.357 30 20 HCED N#C[C@@H](C(=O)CN1CCN(c2nc(N)ns2)CC1)c1nc(O)c2ccccc2n1 759353855 IYRFYAIIRVHPSA-LBPRGKRZSA-N 410.463 0.768 30 20 HCED CC(C)(CS(C)(=O)=O)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 760122820 HYXUWSOIOTUIKU-UHFFFAOYSA-N 401.510 0.445 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 761027898 WDGTYTAOJQHFKR-UHFFFAOYSA-N 417.441 0.433 30 20 HCED COCCOc1ccccc1C=c1sc(=C(C#N)C#N)n(Cc2ccon2)c1=O 765145891 OZORECGEQOBYCZ-UHFFFAOYSA-N 408.439 0.998 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(O)CCC2(CC1)OCCO2 765743892 PPEICOUGDPWGQA-AWEZNQCLSA-N 423.491 0.389 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(CCOC)C(=O)C2)cc1C#N 769007588 VOIZKBBSVKCCLV-UHFFFAOYSA-N 417.422 0.382 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1CC1CC1 771555709 DWIPTVAHAFXGLJ-UHFFFAOYSA-N 403.468 0.218 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O 778963975 KJIIWADIHRPUGF-OLZOCXBDSA-N 408.455 0.725 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2nnn(C)n2)C1=O 783041923 MYRZZHHSPGMBFX-LBPRGKRZSA-N 403.424 0.207 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 783464193 ADXSDFWYFKGSPU-UHFFFAOYSA-N 400.416 0.009 30 20 HCED CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789402030 BBPBGRGCCIXTTC-CYBMUJFWSA-N 423.429 0.936 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=S)NCCCN3CCOCC3)C2=O)cc1 792688077 IPWQVUOONBIWHL-GOSISDBHSA-N 401.536 0.846 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2ccc(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 793044045 YLFPITDWYADVBA-KRWDZBQOSA-N 400.460 0.768 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1ccc(OCC#N)cc1 793369864 NIQNCXRXZHHPOT-LJQANCHMSA-N 400.435 0.821 30 20 HCED CCN(C(=O)COC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 795821720 BFKDCOKVTWEGDP-IAGOWNOFSA-N 403.460 0.819 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CO)[C@@H](O)C1 798998285 ASESJDGNCXWPCS-KBMXLJTQSA-N 409.508 0.486 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCCN1CCN(c2ccncc2)CC1 804083225 KHPLWVHYXWKAFC-UHFFFAOYSA-N 410.316 0.735 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1)[C@@H]1CCCO1 805009012 DCMHNIBROYDQQH-ICSRJNTNSA-N 416.497 0.881 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 805092398 DVJDCUAREVZBBQ-OAHLLOKOSA-N 407.496 0.595 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1C#N 809504323 IUDFBPJDOICCEK-UHFFFAOYSA-N 404.430 0.799 30 20 HCED CN(C)c1c(COC(=O)c2ccn(-c3cccc(C#N)c3)n2)c(=O)n(C)c(=O)n1C 814065144 VONFOPSYNUWKHY-UHFFFAOYSA-N 408.418 0.564 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CCC1 814253197 CYRYLALUPXCYNP-UHFFFAOYSA-N 423.498 0.548 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 916942923 PSYDWCMVCXYSFZ-OJXHRBAXSA-N 424.413 0.621 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3cnn(C)c3)cc2)c(=O)n1C 1116874022 ORUPEBYSZLORNV-UHFFFAOYSA-N 423.498 0.113 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1288518219 IOYXNRPSCQFURW-HZPDHXFCSA-N 402.547 0.994 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C#N)C1 1314555507 IULWEGKKWAFWPR-CQSZACIVSA-N 405.484 0.317 30 20 HCED Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cnn1-c1ccc(O)nn1 1319137247 CWJJHVMRRDEWAZ-LBPRGKRZSA-N 405.422 0.689 30 20 HCED CC(C)(CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 1469074313 UPNZJKRSAZZWGD-UHFFFAOYSA-N 401.510 0.445 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)cc1OC 1504203716 UAHYRKKCPQNBAL-QRWLVFNGSA-N 415.450 0.842 30 20 HCED Cc1ncsc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1510452645 NBRBVSGCFIADGR-ZIAGYGMSSA-N 422.536 0.917 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COc1ccc(C#N)c(Br)c1 1543740812 RRXZQVUKYZOWHZ-CYBMUJFWSA-N 410.224 0.590 30 20 HCED CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)N(C)C)CCOC1 1547914962 LQYXMQXRCMRKAT-OXJNMPFZSA-N 417.514 0.195 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1611687353 WKDCMGGRSOCVSF-MDBVDBBBSA-N 418.520 0.241 30 20 HCED N#Cc1cccnc1NCc1cccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1627707529 OZAOSBPATJENBU-LJQANCHMSA-N 400.460 0.845 30 20 HCED CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CC[C@@](O)(CC#N)C3)ccc21 1654659160 XDTBGBQRQGPUKZ-FQEVSTJZSA-N 414.466 0.834 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1Br 1662177680 LDEYTSXYPHZUOL-KWQFWETISA-N 406.233 0.771 30 20 HCED N#CCCN1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1663725224 YYXBTBJQNXACAS-UHFFFAOYSA-N 412.537 0.691 30 20 HCED CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1695801591 KNKZCEYWQMFGFJ-UHFFFAOYSA-N 407.438 0.325 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1cn[nH]c1 1711221862 LANFHBCQEURCOI-UHFFFAOYSA-N 414.495 0.768 30 20 HCED CS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712700989 XDILSCVLXDXEDM-HNNXBMFYSA-N 401.496 0.561 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC2CC2)CCO1 1770752162 SEKQGCLEYKYJRE-KRWDZBQOSA-N 416.507 0.817 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1771544136 KWJMUWYEQVWMCW-OAHLLOKOSA-N 401.471 0.218 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1778970222 YIKDGANPJVEPCQ-BEFAXECRSA-N 410.902 0.940 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014522 VQYKUIQJBARQGF-BBNMULTHSA-N 407.515 0.203 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1ccccn1)CCO2 1779105381 UOBQVUZJWHNGJP-FVSHYKRFSA-N 416.478 0.983 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1779330784 QDLVFNJEYVTMKK-WHSLLNHNSA-N 418.494 0.883 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1779364986 BQCKIRJGWPEBCY-NGDCCJCDSA-N 418.538 0.864 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Cl)nn3)C2)C1 1779430283 QBDLFJSSYMEGOM-IBGZPJMESA-N 420.901 0.855 30 20 HCED O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1780764983 RUSLCHKTUBOSHL-WIYYLYMNSA-N 422.522 0.208 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1781270547 ODLARQNUDCBBKT-FOIQADDNSA-N 424.498 0.033 30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCCS2(=O)=O)C1 1781661657 XLJDLWFCMVPUFG-SZOQZIPDSA-N 404.554 0.396 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781793544 LROMHGFXLFDZDM-AOMKIAJQSA-N 410.474 0.887 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1782175015 LISUBAUYAMJYJP-UMPJEAMMSA-N 406.570 0.499 30 20 HCED N#CCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C2)C1 1782808593 DYMJOHYLVMGXNV-RCZSKKKRSA-N 412.490 0.365 30 20 HCED CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H](C)ON=C(C)C)CCO3)C2)CC1 1782916532 CWWFQNJCXNTZEV-BEFAXECRSA-N 409.483 0.961 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783527524 CJPSLOFBZQDWLA-REABXYAWSA-N 423.510 0.667 30 20 HCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CC(=O)Nc1cc(C)on1)CCO2 1783906718 OXUNLXYGXCZBCK-HXUWFJFHSA-N 402.451 0.945 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1783928648 AIKHDIBKVGMZAG-LEWJYISDSA-N 415.446 0.618 30 20 HCED CC(C)(C)[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1784020508 KLJXSDVQGOGQDG-FZQSGGHWSA-N 408.543 0.845 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NCCC)[C@H]2C1 1784376290 SRMLPBKJLLUOKV-XLAORIBOSA-N 423.554 0.846 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@@H]21 1784474276 GQBSQWOJSMKHHS-YXWQFLTLSA-N 405.407 0.819 30 20 HCED CN1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784826343 MEMNOOLKYCCPCR-VNBSNOBWSA-N 402.495 0.772 30 20 HCED 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CCN(CC(=O)Nc1cc(Cl)ccc1C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 16586475 RJNKZOZOKJNPTK-AWEZNQCLSA-N 412.899 0.775 30 20 HCED Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O 17187073 MVELWHXRVHMDGZ-UHFFFAOYSA-N 411.374 0.270 30 20 HCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 27985608 SXBJBXWYGIZFFK-UHFFFAOYSA-N 407.492 0.833 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 55245596 IDDRNUYHVULSET-AWEZNQCLSA-N 415.537 0.552 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3Cc4cccc(O)c4C3)n2)cc1 429937134 CBAICAKTWBYSQO-INIZCTEOSA-N 402.414 1.126 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)cc1 433942646 RAODSLXZTROYTB-INIZCTEOSA-N 404.492 0.744 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@H](C)CC#N)ccc1OC 435021450 PZDLNLFNMAWCQP-GFCCVEGCSA-N 412.468 0.319 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)c2ccc(O)cc2)n1 436962405 NSGNCGHRMJLGLM-UHFFFAOYSA-N 419.401 0.329 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 437392531 OBWQIZRMVPSYBJ-QAPCUYQASA-N 414.462 0.648 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(N)=O)n1 438712755 BLOKQLZWRVJZGW-MRXNPFEDSA-N 420.404 1.034 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C)CC(=O)Nc1ccc(C)cc1 438738573 SASUJJUPQNMOOX-UHFFFAOYSA-N 405.480 0.952 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 440098390 FRPOKSVHVUQMGX-TZMCWYRMSA-N 422.367 1.300 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C1=O 440264383 FHCWBSVXUQPSEO-HNNXBMFYSA-N 402.451 0.757 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1=O 440273907 YRCFJUJXQBLLPU-HNNXBMFYSA-N 408.480 0.632 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1C(F)(F)F 442484286 NRRSUICBDYSFBB-UHFFFAOYSA-N 407.312 0.289 30 20 HCED N#Cc1cnn(-c2ccc(-c3nc(CC(=O)NCCN4CCOCC4)no3)cc2)c1N 445288485 OQRQTIFOKLANFR-UHFFFAOYSA-N 422.449 0.367 30 20 HCED N#CCCN(CCC#N)C(=O)CNc1cccc(S(=O)(=O)N2CCOCC2)c1 447088182 RDAFBRNJFXNGCD-UHFFFAOYSA-N 405.480 0.775 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)c1C#N 471707369 VWNMQJUMCDSXDM-HOTGVXAUSA-N 412.494 0.814 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)NC(=O)NCc3cccs3)CC2)c1C#N 472155438 KZLZNJTYBZAHDH-UHFFFAOYSA-N 401.496 0.810 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2OCC(F)F)CC1 475708283 FSWAEMJSYXQWAS-UHFFFAOYSA-N 410.421 0.715 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(OC)n2)c1=O 479360748 FNTXXTHVDBZVPL-UHFFFAOYSA-N 414.487 0.085 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O 482199757 PQEYYCUXZIUIPG-STQMWFEESA-N 413.521 0.649 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1 482710721 ZAEXSEHMEYBDNT-UHFFFAOYSA-N 423.495 0.473 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 483602325 QOTWKJLLYQTARH-CQSZACIVSA-N 419.507 0.800 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CCCS(=O)(=O)N3CCCC3)C2=O)cc1 489231818 LZZURPLINJZWMC-GOSISDBHSA-N 418.519 0.981 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)C[C@@H](C)O1 500199337 TZCHISPZMIMUSZ-IYBDPMFKSA-N 421.523 0.739 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)c(Cl)c1 503830159 PDZDBSDDSMCWFA-UHFFFAOYSA-N 400.869 0.863 30 20 HCED CN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 504655488 RSGREDBYKCJZNH-ZDUSSCGKSA-N 407.901 0.404 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505502096 BQNKGTLYZQCOQN-PMPSAXMXSA-N 414.418 0.552 30 20 HCED N#CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 508072315 RAQXHHRZHKUBRB-UHFFFAOYSA-N 420.413 0.921 30 20 HCED CS(=O)(=O)CC1(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513310323 HBNPVSGFIADSON-UHFFFAOYSA-N 419.438 0.763 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CC(N)=O 517393232 JMDICDPQQROARQ-JTQLQIEISA-N 405.426 0.792 30 20 HCED Cc1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1S(=O)(=O)NCC#N 521778559 GWAFOBSUAGKQEO-UHFFFAOYSA-N 419.507 0.485 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1 539004578 GPJAAOSFXZPAMV-CYBMUJFWSA-N 411.484 0.974 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 540267398 XIAMUYMKRJMLRG-CQSZACIVSA-N 416.482 0.546 30 20 HCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)NC[C@H](C)C#N)CC1 543805084 CGJRMZHXFJVICC-LLVKDONJSA-N 412.468 0.859 30 20 HCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)[C@H]3CCOC3)n(CC(N)=O)c2=O)c1 548289597 JEMPLSPNBAGURK-AWEZNQCLSA-N 411.483 0.121 30 20 HCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1 550071583 JLILQNYREISNPA-MRXNPFEDSA-N 416.507 0.935 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 553733999 UHJSZAPSFVWILJ-SFHVURJKSA-N 419.570 0.298 30 20 HCED CN(C[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1)S(C)(=O)=O 556771846 JWBQKZUCEZPYAT-NVXWUHKLSA-N 404.492 0.794 30 20 HCED N#Cc1cccc(-n2ccc(-c3nc(CC(=O)NCCN4CCOCC4)no3)n2)c1 558377616 IPMFRXYBXZAEOY-UHFFFAOYSA-N 407.434 0.785 30 20 HCED COC(=O)c1cn(C2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)nn1 564755056 WMGKQPJZXBURSA-UHFFFAOYSA-N 404.452 0.442 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCSC[C@@H]3CCO)C2=O)cc1 569028405 BBISBIOLBSKEQD-DLBZAZTESA-N 416.503 0.102 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)n1 583664059 IRQJXLQCNXVIMB-UHFFFAOYSA-N 402.414 0.724 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 603578169 JAGWFDHMGGRMIZ-UHFFFAOYSA-N 419.511 0.101 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OCC)c2)c1=O 603987060 BMXSVZWVNSFQQL-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C[C@@H]1CSCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610004254 HXDDVOXUVBIQKZ-OAHLLOKOSA-N 408.549 0.828 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 610391715 JVMAGNRVWDGEOI-LJQANCHMSA-N 416.478 0.359 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 619729835 BCXUCVJIPCODPE-UHFFFAOYSA-N 412.454 0.436 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)C1=O 672340974 YDLMFAJREKTINS-WMLDXEAASA-N 406.433 0.905 30 20 HCED N#CC(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(C(N)=O)cc1 726575600 LCUCKNYSABMPIO-UHFFFAOYSA-N 417.406 0.933 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)cc1 735821181 SKFXLRFMTDEHGF-MRXNPFEDSA-N 404.469 0.857 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C2CC2)cc1 737308287 YVTXUCBHALGELU-QZMYASAMSA-N 422.507 0.715 30 20 HCED N#Cc1ccc(CN2C(=O)CN(CN3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1 738162132 XOLTUZYFKDVEAQ-UHFFFAOYSA-N 424.505 0.520 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCCn2cnc3c(N)ncnc32)c1 745550388 NDAVFUNKRFXBHN-UHFFFAOYSA-N 414.447 0.567 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 747226564 PALBQJPRINUYBB-AWEZNQCLSA-N 414.465 0.105 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(CNC(C)=O)ccc2OC)CC1 747849793 BADQWIZNTOWUGU-UHFFFAOYSA-N 407.492 0.481 30 20 HCED C#CCCN1CCC(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 748672247 RWKMBPFOBOAYIM-UHFFFAOYSA-N 403.501 0.963 30 20 HCED CC(=NNS(=O)(=O)C(C)C)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 749748706 KKPTWJVPHTVWJN-UHFFFAOYSA-N 405.498 0.882 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCc4nnc(C)n4C3)CC2)o1 750663670 YXSQQMVMFHAUKX-CQSZACIVSA-N 413.438 0.209 30 20 HCED CC[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 756196230 RTDIKGIAPDWANM-AEWZPABSSA-N 424.523 0.963 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2CC(F)(F)F)c1 758379776 FERWCPWHQMVVNT-UHFFFAOYSA-N 403.342 0.504 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1C 760375068 CBPOTMFWZXPIOA-UHFFFAOYSA-N 404.517 0.436 30 20 HCED COCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccn(C)c2)c1=O 763435918 DURGYVCOWAEGLS-UHFFFAOYSA-N 424.530 0.764 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnnn2CC2CCOCC2)cc1 768544790 XDQKLVRZJRYPLK-UHFFFAOYSA-N 419.463 0.368 30 20 HCED COc1cc(C=NNCC(C)(C)S(C)(=O)=O)c([N+](=O)[O-])cc1OCC(=O)O 774477708 OCQLMIOHDMLNCB-UHFFFAOYSA-N 403.413 0.814 30 20 HCED C[C@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 774776057 TYKYVZHAFLZVOT-GXTWGEPZSA-N 411.528 0.963 30 20 HCED C#C[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775327596 KDBUSXMEFANLPS-IAGOWNOFSA-N 422.503 0.556 30 20 HCED C#C[C@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 775793810 FIPZHKCKTKQEHW-ZWKOTPCHSA-N 407.492 0.416 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 780045656 CQZDWSIJTKJXCZ-HNNXBMFYSA-N 415.494 0.832 30 20 HCED COCc1noc(CN2CCN(C(=O)NCCNc3ncccc3C#N)CC2)n1 780338375 QNGWWPRSIGCSAZ-UHFFFAOYSA-N 400.443 0.422 30 20 HCED C[C@@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)S(N)(=O)=O 781969766 KWLWCEAOOKUUGD-NSHDSACASA-N 406.489 0.696 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 785659197 BMSGIQUTNDRCFK-LSDHHAIUSA-N 420.491 0.352 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CCC(=O)OC)c2)CC1 786363105 XGLIJBFZUKJNIH-UHFFFAOYSA-N 416.478 0.177 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OCC)cc1 789455187 BGPKDYSNOBHQAX-SFHVURJKSA-N 415.471 0.897 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(O)cc2)CC1)c1cc[nH]n1 789940286 UWNAOCSDQNTKPA-UHFFFAOYSA-N 401.423 0.748 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@H]1CN1C[C@H](C)O[C@H](C)C1)c1cc[nH]n1 789963050 GHIJTALHGBLSHA-XHSDSOJGSA-N 421.498 0.794 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 796180244 MNBOWZHLBMAWPN-UHFFFAOYSA-N 400.478 0.689 30 20 HCED COC(=O)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)c(Br)c1 800122677 AONSELOWSZYFTC-GFCCVEGCSA-N 418.269 0.794 30 20 HCED C#CCNc1nc(NC2CCN(CC#N)CC2)nc(NC2CCN(CC#N)CC2)n1 804441780 TXXXCDLHPXJAMU-UHFFFAOYSA-N 408.514 0.716 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc3ncc(I)n3c2)n1 804622892 NXZCKYSUFOBBTJ-UHFFFAOYSA-N 407.175 0.832 30 20 HCED C#C[C@H](NC(=O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@H]1CCCO1 805531931 QSQZBVYCRXWCRG-ZWKOTPCHSA-N 402.495 0.917 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)O[C@H](C)C(=O)NCCN3CCOCC3)CC2)o1 805969277 XDPMKQJGPPKUGB-CQSZACIVSA-N 419.482 0.451 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3ccc(Cl)nc3)CC2)c1C#N 806603600 SAYVCALVFLHVEC-UHFFFAOYSA-N 415.885 0.656 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CCO1 807249879 KTVJBPYZBOUZDH-INIZCTEOSA-N 412.471 0.876 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)[C@@H]1CCCO1 809305183 ZAPJEUBXTPEHQK-ZCNNSNEGSA-N 424.501 0.233 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)nc1 810389295 DYQXKILADIGMFF-UHFFFAOYSA-N 403.345 0.951 30 20 HCED C#Cc1ccccc1CC(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 811257949 BJOVWDGRYVRCTB-GOSISDBHSA-N 404.488 0.085 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249354 MGFADVVOGXKHGF-UHFFFAOYSA-N 405.430 0.339 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCCN(O)C1=O)n2C 816755131 UBAXITVFDGMSHG-ZDUSSCGKSA-N 423.495 0.253 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(=NOCc3cc(=O)n(C)c(=O)n3C)CC2)cc1 818292464 NFHNVWOCJHHKCD-UHFFFAOYSA-N 420.491 0.750 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(CCNC(C)=O)C1=O 914555855 NCIIJWYPUCRZJR-HNNXBMFYSA-N 405.480 0.849 30 20 HCED Cc1nnc(SCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1N 914725907 YMWLZTYCZGKEII-UHFFFAOYSA-N 414.451 0.861 30 20 HCED COc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 918263272 BQZXNYREXBAMPI-UHFFFAOYSA-N 410.434 0.830 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 919180820 INTKCFMUTZDYMV-HFTRVMKXSA-N 419.453 0.881 30 20 HCED COC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCS(=O)(=O)CC1 1116919123 ZBUPBSMEPBOKNQ-AWEZNQCLSA-N 419.459 0.148 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1c(C)cc(F)cc1C#N 1188717913 MJPFLNVESJTFJN-CQSZACIVSA-N 413.427 0.075 30 20 HCED Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)n[nH]1 1290456779 ZGSQARXEJLHGAU-UHFFFAOYSA-N 414.495 0.967 30 20 HCED Cc1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)on1 1290964430 MREYQOYOIQGKTN-HIFRSBDPSA-N 423.499 0.694 30 20 HCED CO[C@](C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1299510702 NCPJIGONNJTBMY-JCKWVBRZSA-N 409.512 0.724 30 20 HCED 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CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1748283622 ZIIUVWKNQDJVGJ-UHFFFAOYSA-N 422.493 0.804 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749267449 STHZJQNSWOKMDJ-ZIAGYGMSSA-N 408.890 0.809 30 20 HCED CC(C)(O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760814960 HNYIPPVMFLGYNJ-MRXNPFEDSA-N 401.515 0.852 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779283502 JNNKCCQVDDSJCV-LHSJRXKWSA-N 414.437 0.832 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1779395858 HSSQNVLTPBFZGV-HXUWFJFHSA-N 404.467 0.979 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1781270811 XDOAJFJIGUKXQF-FQEVSTJZSA-N 402.451 0.738 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCn4ccnn4)CCO3)C2)cc1 1781792784 ZLQMQUSYMYVXLH-OAQYLSRUSA-N 408.462 0.878 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)C1 1782460430 MEDTVEAGXOBGOH-SOIKWTOOSA-N 414.462 0.117 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCc3c(C(=O)OCC)ncn3C1)CCO2 1783054081 CEAMPZYJXFDLBD-QVKFZJNVSA-N 414.462 0.085 30 20 HCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2)C(F)(F)F 1783203164 UFZYMLKDIDAYIB-MRXNPFEDSA-N 401.341 0.648 30 20 HCED C=CCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CCO2 1783916462 YRSFIZFARREILJ-XCLFUZPHSA-N 402.451 0.399 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nn[nH]c3C(F)(F)F)C[C@@H]21 1784386059 DJBKRYJGKICUEA-AVGNSLFASA-N 411.384 0.830 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C[C@@H]21 1784481430 PTXSVQZZPBLSAN-FCLVOEFKSA-N 413.474 0.417 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1784503099 NFWIPYVDDIEOBF-DHMWGJHJSA-N 406.439 0.072 30 20 HCED CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1785476834 CNFRAHHXCILCRO-HXUWFJFHSA-N 406.483 0.987 30 20 HCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)[C@H]2C1 1786847166 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0.542 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830945699 PPVRERMCOIUVMG-DYESRHJHSA-N 420.510 0.319 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3CC)C2)C1 1831386389 GGOKRMZOHOYBBH-VGSWGCGISA-N 415.490 0.752 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831419651 PUZUUAYBXAODPI-GPMSIDNRSA-N 400.541 0.988 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1831425317 SUTPGUZFDJBPBM-OXQOHEQNSA-N 406.483 0.010 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1831432787 NDROAWNTIGRGTA-UWJYYQICSA-N 403.479 0.672 30 20 HCED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN(CCO)CCO)CC1 1831486939 DFFACBHSQBOQHF-HXUWFJFHSA-N 407.555 0.696 30 20 HCED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n1 1831487352 NBOYGPBCCJXGHT-FUHWJXTLSA-N 412.512 0.331 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831603225 SPWPZMCHURTJTJ-JTSKRJEESA-N 413.474 0.006 30 20 HCED 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N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H](N)c4cccnc4)C3)C2)CC1 1835343012 XKMMJXGEMPPZKW-LAUBAEHRSA-N 413.478 0.232 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cnccc5[nH]4)C3)C2)CC1 1835344786 UVGAEIFNNFWUIN-NRFANRHFSA-N 409.446 0.937 30 20 HCED COc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1F 1835353883 FLUNWGWTHXXBHP-IBGZPJMESA-N 406.414 0.603 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1835362240 HUMHXBWGJQXBLX-FQEVSTJZSA-N 415.425 0.847 30 20 HCED CNCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1835665126 XZPWHYFKSLXNSA-XLKWYTADSA-N 406.483 0.155 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(O)[nH]3)CC2)CC1 1835963836 VTXMMYJSQZEFHQ-CQSZACIVSA-N 405.499 0.892 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)o3)CCO2)C1)C(F)(F)F 1836026906 OVZQOEXTBCRGPS-MRXNPFEDSA-N 418.372 0.495 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1836869661 ZEEPECPCVOUMPO-GJYPPUQNSA-N 409.527 0.299 30 20 HCED Cc1nc[nH]c1CSCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1837330141 YPGYZGXWCYRGGO-SFHVURJKSA-N 407.496 0.321 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1837384656 DYBOHGYZCFHBQL-DYESRHJHSA-N 422.526 0.344 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)[C@H](O)C=C)CCO2 1837393651 YCRHHXKENOETQB-OXQOHEQNSA-N 412.552 0.935 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(=O)C=C)CCO2)C1 1837698788 RVGRYAFDNVRWNM-SVMVAKDDSA-N 419.522 0.902 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837760183 XYJBONGDLDWNEB-HXUWFJFHSA-N 404.467 0.571 30 20 HCED Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n[nH]1 1838412580 SFYOLBHCKZNHHG-UHFFFAOYSA-N 402.451 0.347 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccccc4)C3)C2)c1 1838735145 XILFGGHVPIGCAC-DENIHFKCSA-N 424.457 0.690 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838799324 WQENVMZXWVNMME-QAPCUYQASA-N 413.496 0.191 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1839222579 SAMHCIUEUCOCGL-UEXGIBASSA-N 424.542 0.728 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1839223634 BLYDASVNOWFPEX-BEFAXECRSA-N 408.455 0.854 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1839227479 RXHCHHQASADEQG-UZLBHIALSA-N 419.482 0.656 30 20 HCED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1839830658 YOXMNPNFPRUPJG-NRFANRHFSA-N 406.479 0.121 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839906662 GYUNCRMSCRTGBW-VGSWGCGISA-N 416.474 0.429 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c[nH]1)CCO2 1840066974 PUHVUUKIBQGELQ-WNBNNUDTSA-N 418.425 0.936 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1840291404 PSRDFPUJSHVUHX-JOCHJYFZSA-N 405.539 0.978 30 20 HCED Cn1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1=O 1840812200 FKQCYAXKKHYOCP-OAQYLSRUSA-N 414.462 0.149 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1841747815 NDSZTSJVZJWSCI-HUUCEWRRSA-N 408.499 0.794 30 20 HCED C=CCSCC(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843324945 JLPBGVQOMNTXRJ-AWEZNQCLSA-N 413.540 0.995 30 20 HCED O=C(Cc1ccc2ncnn2c1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259537 CAMAINPRYLMUFZ-FSJBWODESA-N 409.494 0.947 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1847801764 UYQLUYDSEAJPBC-UGUYLWEFSA-N 409.483 0.112 30 20 HCED Cn1c(=O)cc(-n2c(Cl)cc(=O)n(C)c2=O)n(Cc2cc(F)ccc2C#N)c1=O 2048532294 WLPAZJPUUVKVHL-UHFFFAOYSA-N 417.784 0.109 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 8851880 BPMGDONGQKZYMP-UHFFFAOYSA-N 423.369 0.539 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCNC3=O)CC2)cc1 18662394 KHWMJWSTMQWAJS-UHFFFAOYSA-N 420.447 0.054 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 50176728 MFTZFGJHOAGVCE-UHFFFAOYSA-N 401.467 0.422 30 20 HCED C[C@H](NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(=O)N(C)C 52534801 SFHVKRDQHYNQBM-ZDUSSCGKSA-N 400.439 0.521 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)C1=O 410115609 MBAWIYBHROLCQY-KRWDZBQOSA-N 407.492 0.803 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)s1 435435549 YMHQIZKOARBRKF-UHFFFAOYSA-N 406.493 0.427 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 442273346 UWQQSARAIVWEQM-UHFFFAOYSA-N 406.508 0.932 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N)S(N)(=O)=O 442363787 UCSRVOYMGOJSNL-NSHDSACASA-N 403.420 0.477 30 20 HCED COC(=O)c1cc(C)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446530357 ICABEHMRAJRSML-UHFFFAOYSA-N 402.451 0.795 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)cn1 460690777 PBQVLRSTUBNQNY-OAHLLOKOSA-N 402.418 0.868 30 20 HCED N#C[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 462408939 PVAWUXDMVYEOQX-QMMMGPOBSA-N 402.226 0.693 30 20 HCED CN(CC(=O)N1CCNC(=O)[C@H]1c1cccs1)S(=O)(=O)c1ccc(C#N)cc1 464358422 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HCED N#Cc1ncn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1C#N 499509982 FJABVFJCOFRFFU-UHFFFAOYSA-N 400.420 0.286 30 20 HCED C[C@@]1(O)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 501787367 WLPHETPZJKLNGQ-LJQANCHMSA-N 406.508 0.238 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(n3cc(C(=O)OC)nn3)C2)c1 501985285 QMYIBTHTBCDKFW-UHFFFAOYSA-N 405.436 0.226 30 20 HCED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](CO)NC(N)=O)CC1 503270099 JLZRGBCJUVNLDX-KBPBESRZSA-N 410.272 0.187 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 503429705 FYMXZQNFVSHICU-CMPLNLGQSA-N 419.912 0.429 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 508729746 JIDVROJNLBYQER-CYBMUJFWSA-N 416.511 0.638 30 20 HCED C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508879936 IXYYIILBFOUSDO-CQSZACIVSA-N 410.434 0.049 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 508884980 LILMDRPTWCKOBR-ZDUSSCGKSA-N 408.484 0.630 30 20 HCED COC(=O)c1cc(Br)c(F)cc1NC(=O)C(=O)NCC(=O)NCC#N 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C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1=O 559685499 FHZMHKYPMAZMHN-SFHVURJKSA-N 402.495 0.489 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)CC2)c1C#N 561700907 HBQVBWILUCIWTF-DOTOQJQBSA-N 400.483 0.323 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nnn(Cc3ccccc3F)c2C)C1=O 563826613 PDSIIEDELFICOI-MRXNPFEDSA-N 414.441 0.958 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 568612663 UPGXPXRPOAAGHH-UHFFFAOYSA-N 402.455 0.405 30 20 HCED Cc1ccc(NC(=O)CN2CCN(c3cnccc3C#N)CC2)cc1S(N)(=O)=O 569066261 RUMMUXRNVPNVRC-UHFFFAOYSA-N 414.491 0.670 30 20 HCED C[C@@H](CNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CN1CCOCC1 576370907 XOZUIODQMGJYJR-SFHVURJKSA-N 415.538 0.533 30 20 HCED COc1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)ccc1C#N 579578098 VPMVRYBTZGCPPA-UHFFFAOYSA-N 403.416 0.860 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)CC2)nc1 587648241 UXSBLOBAWIRYKR-ROUUACIJSA-N 413.478 0.445 30 20 HCED 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Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 739839221 SJJOYPNRDFRRIG-UHFFFAOYSA-N 423.477 0.086 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](NC(C)=O)c2ccc(F)cc2F)CC1 741687980 TXHFHYVVQUTYKR-IBGZPJMESA-N 420.460 0.816 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 747994178 ZMFZQDTVUHJUJQ-UHFFFAOYSA-N 424.457 0.262 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c1 748225230 DBPZLZMHBXJSPI-UHFFFAOYSA-N 413.409 0.965 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 756232995 YUJXMCVXQLOLGI-LBTBCDHLSA-N 407.426 0.560 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OCC#N)C(=O)N1c1cnn(C)c1 761145128 UZZGUABRFPVFDD-NHYWBVRUSA-N 414.397 0.710 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)CON=C(N)c2cccnc2N2CCCCC2)C1 762712860 PHIILTHXYLPGAF-INIZCTEOSA-N 402.499 0.836 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 763824485 KWWGRTVXCAPXRJ-UHFFFAOYSA-N 404.423 0.537 30 20 HCED 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N#Cc1ccc([C@H](O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 780945442 WGXMIZYRLJBQLZ-INIZCTEOSA-N 404.404 0.595 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H]2CCCOC2)c1 781374344 FRVUVRDZBWMYKY-DOTOQJQBSA-N 408.476 0.686 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 783616173 BZBCWLDHLORHQW-UHFFFAOYSA-N 408.448 0.736 30 20 HCED Cc1nccn1-c1ncccc1CNC(=O)C(=O)NCCNc1ncccc1C#N 787775714 ATXYQLYERCMGQX-UHFFFAOYSA-N 404.434 0.687 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)n1 789788034 DSALDMQTYZTTTN-QGZVFWFLSA-N 423.473 0.734 30 20 HCED CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CCOC)c2)c1=O 794594559 HJSABZQGZFIACN-OAHLLOKOSA-N 416.503 0.271 30 20 HCED C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)N1CCCCC1 796485850 LYWUUGYREYFKMR-JKSUJKDBSA-N 407.515 0.948 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)O)C1=O 798560791 MLUIUYBGZZXBOU-UGFHNGPFSA-N 416.883 0.698 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 800014358 YQOHKGGSQSJADC-CQSZACIVSA-N 417.532 0.382 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 807511696 BWWAOVCIJNGUCE-HNNXBMFYSA-N 418.502 0.486 30 20 HCED C[C@@H](C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 807742817 GKXRAZOWCVDPHP-LSDHHAIUSA-N 403.487 0.864 30 20 HCED CCCc1nnc(SCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1N 813476717 CHFYGIKGEDHLFW-LBPRGKRZSA-N 401.500 0.435 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250113 ISJRZZHBTMNWLJ-UHFFFAOYSA-N 407.446 0.517 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 897714111 PQCXWCQHCUCUIN-STQMWFEESA-N 417.418 0.754 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCCNS(C)(=O)=O)C1=O 914541591 XCNUHAUVRLRHMM-CYBMUJFWSA-N 416.500 0.833 30 20 HCED Cn1cccc1C(=O)N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 917216454 CDBPXMAAYGOFHC-UHFFFAOYSA-N 415.475 0.048 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cn(CCOC)nn1 1002634669 OVSFJPTVGFVURD-DZXRDFMUSA-N 403.483 0.767 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)c2nccn2Cc2ccccc2)n(C)c1=O 1122624806 MYFOUMHCEWZZNT-OAHLLOKOSA-N 417.429 0.555 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1288170574 REWUWIJKNXKVNH-ZDUSSCGKSA-N 410.500 0.112 30 20 HCED CN(C)CCNC(=O)c1cccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1318856748 RJMZEBOFGQEYPD-VZCXRCSSSA-N 413.478 0.511 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)[C@H](C)C1 1322854669 LSAQUFSFFLHFAV-GDBMZVCRSA-N 404.492 0.794 30 20 HCED CN(C)CCNC(=O)C1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 1324168087 FTCUFHFHMHBDPK-QGZVFWFLSA-N 424.505 0.901 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1532907127 TWGNFSYGQLSOSN-HLLBOEOZSA-N 413.430 0.864 30 20 HCED COCCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1555413811 MEMQKNTYIBYNCM-HUUCEWRRSA-N 411.528 0.972 30 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BHZOGBXZCWHNFY-UHFFFAOYSA-N 423.473 0.885 30 20 HCED CCOC(=O)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 503538595 JTUOKIVYKQZYNN-UHFFFAOYSA-N 408.480 0.917 30 20 HCED CNC(=O)Cn1nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1C 503897570 NPPPSTLHSOQQTM-GFCCVEGCSA-N 404.452 0.115 30 20 HCED CC(C)[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1CCCS1(=O)=O 505165262 WRCVWCULBSPRNJ-ZBFHGGJFSA-N 406.512 0.445 30 20 HCED CC1(C)COCCN1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505520620 LUYXIXSULKMUNR-KRWDZBQOSA-N 413.478 0.990 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 507197036 SGFXXANJCVSXLW-CHWSQXEVSA-N 410.456 0.337 30 20 HCED CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(F)c1 508349678 OCYCNPWJLQNJQG-UHFFFAOYSA-N 402.386 0.999 30 20 HCED C=CCn1c(CCCc2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508905339 ZNMUWODVCYFCDF-UHFFFAOYSA-N 421.509 0.975 30 20 HCED CCOC(=O)c1cnn(-c2cccc(NC(=O)C(=O)NCC(=O)NCC#N)c2)c1C 508974537 DGLDQKCFFCXVTR-UHFFFAOYSA-N 412.406 0.052 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC3CC(N4CCCCC4)C3)C2=O)cc1 511975185 VNSOOCDEUTWQPO-MHJFOBGBSA-N 423.517 0.908 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC#Cc2cccc(F)c2)s1 513928858 YZJBHPFIYNFBDM-UHFFFAOYSA-N 423.491 0.970 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)cc1 518575438 WITCPTOEZRBITJ-UHFFFAOYSA-N 400.460 0.891 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCOCC 523476734 GQUYWFLOLWANEN-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCN(C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 538352317 VMDRPHQOWXYSHG-OAHLLOKOSA-N 401.510 0.943 30 20 HCED COCCN(C(=O)CN1CCC(C#N)(c2ccccn2)CC1)[C@@H]1CCS(=O)(=O)C1 548798065 MKBMGBQGQMVAQK-QGZVFWFLSA-N 420.535 0.601 30 20 HCED C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549292809 ZBVDXVAVXHZBRS-INIZCTEOSA-N 410.478 0.601 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)[nH]c21 557474460 NZTUICIPBZSDCI-LBPRGKRZSA-N 409.406 0.241 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)C1=O 559781728 QFHDSXZLCUNJHR-QZTJIDSGSA-N 412.490 0.712 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 560680764 SNPFXESWROISQR-OAHLLOKOSA-N 401.448 0.075 30 20 HCED CN(C)c1ncc(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C 561813604 CKFSEYGCHDUNFT-UHFFFAOYSA-N 423.521 0.708 30 20 HCED CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 565437776 ANUWUMQBKXFUNZ-OAHLLOKOSA-N 413.521 0.870 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)O1 566701080 UNMTVJZYHYWMSZ-WBAXXEDZSA-N 414.462 0.038 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 570742557 OTWFUFSYIYBWCX-UHFFFAOYSA-N 405.547 0.983 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 578671630 MZMPRJXDUXDGQW-UHFFFAOYSA-N 406.458 0.617 30 20 HCED CN1C(=O)COc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 581408240 ODFREIHIUYQAKQ-UHFFFAOYSA-N 415.450 0.055 30 20 HCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 589159749 RYEJZAULPUJTDA-UHFFFAOYSA-N 407.426 0.920 30 20 HCED Cc1nc(SCC(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c(C#N)c(C)c1C 609447918 AUTIIGKPFOJZAK-CQSZACIVSA-N 424.548 0.732 30 20 HCED C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)N1c1cnn(C)c1 610406207 JIHIBBJLWLTJCB-WMLDXEAASA-N 408.466 0.712 30 20 HCED O=C(CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(-n2cccn2)cc1 732459086 NGRUETCUNCFQFU-VHEBQXMUSA-N 423.433 0.636 30 20 HCED COC(=O)c1cc(Cl)cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c1 737071936 QNNBXEQBTIQVBV-UHFFFAOYSA-N 404.814 0.991 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O[C@@H](C)C(=O)NC(=O)NC 744594656 UFYOEDMTMVBUEZ-FKIZINRSSA-N 414.418 0.539 30 20 HCED N#Cc1cccc(C(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 748220355 NTSYFNPJTFMTMN-AWEZNQCLSA-N 403.416 0.450 30 20 HCED Cc1c(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cnc2c1c(=O)n(C)c(=O)n2C 748434174 JDLYJCKKSLJOTK-MPBGBICISA-N 415.450 0.540 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)cc1 748745851 VZNCVISVYCFMTH-MRXNPFEDSA-N 409.533 0.980 30 20 HCED CCn1nnnc1-c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 749627447 JTTSVRRFNRICCG-UHFFFAOYSA-N 405.422 0.793 30 20 HCED CS(=O)(=O)c1nc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)c2ccccn12 750417017 STIABDQHXLLFDP-UHFFFAOYSA-N 418.456 0.869 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2csc(Br)c2)c1=O 758050168 OKCSLSZNJAUCMC-UHFFFAOYSA-N 408.302 0.616 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(C)oc3ccccc23)c1=O 758051447 WAYMBSMVLHXYJZ-UHFFFAOYSA-N 421.478 0.863 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCCn2ncc(C#N)c2N)C1=O 771598860 DLKJAUOMCUZROP-LJQANCHMSA-N 412.406 0.356 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)C1=O 772195573 RRPYHKXKXWKANK-STQMWFEESA-N 408.455 0.867 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C(F)(F)F)n[nH]1 775914647 WHNIVSVSECDBNZ-UHFFFAOYSA-N 416.385 0.959 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC(=O)N2CCOCC2)cc1 776466940 CRSCESSYYVUALL-LTGZKZEYSA-N 423.495 0.480 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)C[C@H](C)O1 780657137 IXXSJOWIBCNFKH-GJZGRUSLSA-N 422.511 0.134 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H]2CCCOC2)c1 781374347 FRVUVRDZBWMYKY-WBVHZDCISA-N 408.476 0.686 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)n1 782823616 YCGRCQUTDPJMBC-CYBMUJFWSA-N 414.809 0.999 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 783000996 XUCQZXMTFWAEGC-UHFFFAOYSA-N 409.917 0.518 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 783617252 BSNBMGGDMZDHFQ-GJZGRUSLSA-N 400.497 0.685 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 785155802 KKSXNWUUZKBWOM-GJZGRUSLSA-N 423.491 0.189 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CCC2)cc1 785232316 JYAABGWYOUOGRN-JWGURIENSA-N 422.507 0.717 30 20 HCED COC(=O)[C@@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(C#N)c1 785657868 ONRZCVZCRMPLOR-HKUYNNGSSA-N 415.446 0.496 30 20 HCED Cc1oc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(C#N)c1C 786361442 FBVYDJJSVKQELS-BQGCOEIASA-N 415.402 0.802 30 20 HCED CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1[N+](=O)[O-] 802033948 UPZFSLLKDUYESZ-UHFFFAOYSA-N 409.401 0.989 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1)[C@H]1CCCO1 809306763 UZAOKFTWBGZOHP-RTBURBONSA-N 415.465 0.978 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 812602373 RLIZRCUQWROFJX-CQSZACIVSA-N 413.415 0.176 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)n1 812992085 SUQGEUSBJKRIJP-UHFFFAOYSA-N 422.489 0.435 30 20 HCED CCNC(=O)NCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 817247086 WFKIDCDUPLIUSL-AWEZNQCLSA-N 409.512 0.575 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1cc(=O)n2ccsc2n1 821698197 XJOKPJAPGNOJFX-UHFFFAOYSA-N 404.429 0.538 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)CN1CCN(CC)C(=O)C1=O 917506999 LZCPZCDCVUNJJY-CYBMUJFWSA-N 416.434 0.391 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1CCCOCC 917761852 QLYRAOMBOKNNGY-UHFFFAOYSA-N 418.544 0.907 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)c1 917768441 GQRXZEXGKORVCE-UHFFFAOYSA-N 413.499 0.737 30 20 HCED C=C(Br)CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 921043730 WFBODJVUEUKQSA-UHFFFAOYSA-N 404.286 0.809 30 20 HCED CN1CCN(CCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1116063858 NSQVGGQFMLEZSJ-SFHVURJKSA-N 412.494 0.517 30 20 HCED CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1194849994 LRJWAZWSIBPPRE-ZDUSSCGKSA-N 401.370 0.936 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N1CCC[C@@H](C)C1 1263974922 JTWWGUXGCGHOLP-CABCVRRESA-N 406.508 0.990 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C(=O)C3CC3)CC2)cc1 1290636757 VWDSMWHUAVPXLI-SFHVURJKSA-N 416.503 0.792 30 20 HCED CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)o1 1292688421 PHLYGCBUTMIBJZ-KBPBESRZSA-N 420.495 0.816 30 20 HCED CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1292778588 VZVJAJZPAUYYAW-DOMZBBRYSA-N 414.470 0.311 30 20 HCED CN(C)S(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314674598 FACBAXRQCFBGFA-MRXNPFEDSA-N 407.544 0.614 30 20 HCED N#CCc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 1318892705 APAOBFNZEGEGPS-OAHLLOKOSA-N 401.510 0.519 30 20 HCED C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CCN1c1nccn2cnnc12 1319306029 NFNICALLMWZQAU-KMJMQOOCSA-N 410.438 0.078 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 1326979109 RTVLJCWVHDSAKK-UHFFFAOYSA-N 415.471 0.915 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1331749910 PMICOMFNARLCCL-CQSZACIVSA-N 416.525 0.196 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)nc1O 1618460219 PCMMDCRLRUKFAC-OAHLLOKOSA-N 411.418 0.007 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CC1)C[C@H](O)CCO2 1639080865 KWBBUBVJPMMVSV-GOEBONIOSA-N 407.492 0.758 30 20 HCED CC(=O)N1C[C@@H]2CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@@H]2C1 1659954615 MGCHNFRIOKWDPJ-SVFBPWRDSA-N 413.497 0.945 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1690999865 RKOVBBMHMZTTEW-CQSZACIVSA-N 404.496 0.876 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1CC1 1692797122 VDAWDHMGHZETCV-CJNGLKHVSA-N 407.544 0.865 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@@](C)=O)CC1 1693564872 URBJYDZJZPUBBM-DBDZUICISA-N 400.512 0.874 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1696889481 YXRSVNLAYZKERP-BZNIZROVSA-N 415.495 0.102 30 20 HCED CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1697035530 XRUVFIKULMNMKJ-CJNGLKHVSA-N 420.495 0.936 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(O)CCOCC1 1706071862 YSQJYSFQKAWNDA-UONOGXRCSA-N 414.532 0.416 30 20 HCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1709909622 PNUZONQGOYTPCB-QGZVFWFLSA-N 409.450 0.936 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1750079103 NGEZTCVIYZIGMD-CABCVRRESA-N 408.528 0.821 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC)C1 1760307293 PBGWUFNYERFCSB-RYUDHWBXSA-N 400.277 0.989 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778159044 QXOHXNPQCSZUEH-HNAYVOBHSA-N 410.471 0.460 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1779101916 VAWDPHHUWXRRCF-LKJNDSRGSA-N 409.468 0.511 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(O)nn2)CCO3)c1 1780167823 GZYNCOAXYAOUKW-NRFANRHFSA-N 423.429 0.820 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nc[nH]c1[N+](=O)[O-])CCO2 1781268031 GOPICLALULBKPK-SFHVURJKSA-N 421.410 0.271 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781814453 UJKJEDWYSIRZSD-KKSFZXQISA-N 420.462 0.820 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3c[nH]nc3c1)C2 1782010356 PLHTYDIRGMCPBH-DYESRHJHSA-N 410.430 0.778 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1782466101 VWLDRZWNRGZOSG-IBGZPJMESA-N 400.366 0.005 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1782540658 PZVMHWBMPLLUSA-WHSLLNHNSA-N 415.446 0.451 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@@H]1COc3ccccc3O1)CCO2 1783557316 DZRRSPKSLMPZIG-VFNWGFHPSA-N 414.414 0.134 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc4c3NC(=O)C4=O)C[C@@H]21 1786704553 WTUAHEVPDODBTM-RCBQFDQVSA-N 410.430 0.718 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1788754624 NGKKVZCEEBOLPL-ZDMHMLHDSA-N 416.478 0.369 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncc(O)c3)[C@H]2C1 1791108273 DIGIBTDXNRRGKD-SPYIXANLSA-N 414.462 0.239 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(C#N)cc1 1792425583 LJVNMFSTYRIWGQ-WEMPKCCASA-N 424.501 0.701 30 20 HCED N#Cc1ccc(F)c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cnccn2)c1 1793137565 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0.731 30 20 HCED Cc1cn(CC(=O)N[C@H]2CCc3nc(NC(=O)[C@@H](C)S)sc3C2)c(=O)nc1O 1826028942 AHKGZTCPSYUDSE-ZJUUUORDSA-N 423.520 0.644 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3CCC4)C2)C1 1830061420 CAAMCXQQCGCFCP-HXUWFJFHSA-N 401.467 0.449 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1831127381 QVYTUXZBLVUBQR-FOIQADDNSA-N 411.499 0.859 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1831419867 RIEAICABAADIMA-DYESRHJHSA-N 420.510 0.698 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831465108 AQUFRQNHVJZGKX-BEFAXECRSA-N 415.556 0.312 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831484888 ICCHKZDNTZFAOI-MAUKXSAKSA-N 410.496 0.207 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CNC(=O)N(C)C)CC2)CC1 1833143349 HLUJCWBCJUKKNH-MRXNPFEDSA-N 423.558 0.420 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833171226 YHHDBFJDMUTSRD-GOSISDBHSA-N 410.421 0.687 30 20 HCED CC(C)(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c[nH]1 1833382743 PAQKBYPDUVASCN-NRFANRHFSA-N 417.462 0.470 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3CNC(=O)C3)CC2)CC1 1833476507 FJCBDCHOUCXUOF-JKSUJKDBSA-N 406.527 0.285 30 20 HCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1833490767 XPVBPAJPSDGGHM-KRWDZBQOSA-N 419.613 0.557 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834193598 RXULYGUJYICMAH-YWZLYKJASA-N 420.466 0.658 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCCC1)CCO2 1834642302 QHFVHHSZRVQVPI-NJRZHNRPSA-N 405.495 0.491 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3-c3ccccc3)C2)C1 1834760749 PDHFPYXZQOLLHN-NRFANRHFSA-N 409.446 0.856 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1835600061 PRAHHMVDLFABQC-PFRQMTDMSA-N 412.531 0.617 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)c1 1836196135 HGZDQXSGKCRVSB-QHCPKHFHSA-N 422.485 0.700 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)c4ncccc34)CCO2)C1 1837190930 HEEWMMQRDMMANR-VBKZILBWSA-N 418.519 0.962 30 20 HCED COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487104 XBZBGKNKEITATF-JOCHJYFZSA-N 422.522 0.566 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3CCC3)C2)C1 1837488972 WGXGVDMUBMUANS-JOCHJYFZSA-N 404.507 0.942 30 20 HCED CC(C)(C)OCC(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559683 BFCLCHTVSXOEBX-FFCJBUTOSA-N 421.494 0.970 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2c[nH]c(=O)cn2)CCO3)c1 1838640722 SKDXLKBXZIWRLP-NRFANRHFSA-N 423.429 0.025 30 20 HCED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839224669 WWSDUJPGCMKDBC-DNVCBOLYSA-N 413.471 0.197 30 20 HCED CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839420197 UVDWRHHMADHKPD-FQEVSTJZSA-N 405.426 0.804 30 20 HCED CN1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)C1 1839422160 GBCQNBRVTOVBCL-OAQYLSRUSA-N 416.453 0.329 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)nc2nccn12 1839548237 MJFUDVKMFGUGJS-HXUWFJFHSA-N 412.450 0.412 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc(Cl)c3)C2)C1 1840045119 RPOUVQLIOMEYCQ-LJQANCHMSA-N 424.812 0.637 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840155791 DGUILZUKLGPMEW-DIFFPNOSSA-N 415.899 0.829 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1 1840161883 DNYLORHZSYXAAI-XOBRGWDASA-N 419.503 0.955 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840168739 OMDMRSXBPGBHSK-UKKLRFBMSA-N 401.463 0.958 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)C1 1840169116 KOAUEGYGQNTFKD-LJQANCHMSA-N 404.423 0.796 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(=O)O)n(C(C)C)n3)C2)C1 1840172023 MDJFKTMRXXCHLD-HXUWFJFHSA-N 420.466 0.808 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840359012 FVHQVNRONBUEJA-YCRPNKLZSA-N 415.494 0.521 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840428818 YHKSRLKDSVDBON-UWJYYQICSA-N 401.463 0.719 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5ccncc45)C3)C2)CCC1 1840813914 DUBKKLBDPSACJI-OAQYLSRUSA-N 424.461 0.493 30 20 HCED CC(=O)N[C@@H](C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)c1ccc(F)cc1 1845010435 UVUQDUJNEFVUIN-GOSISDBHSA-N 401.394 0.294 30 20 HCED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)c3n[nH]c4ccc(C#N)cc34)C2)CC1 1845581834 LUEMJNWHJHLKDI-UHFFFAOYSA-N 421.505 0.499 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CCCn1c(O)nc3ccccc31)C2 1846196425 XQKFRVGSHGTCOU-UHFFFAOYSA-N 410.430 0.814 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)C1 1847747722 ZROMHNCMWIWDKW-VSZNYVQBSA-N 417.506 0.829 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1=O 11264574 VXJCRPYQRIOKRF-UHFFFAOYSA-N 402.432 0.014 30 20 HCED N#CCC[C@@H](C#N)CN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 25694620 PLGYWLNBWPDTSK-AWEZNQCLSA-N 411.509 0.084 30 20 HCED CN1C(=O)C(/C(N)=N/OCC(=O)NCc2ccc3c(c2)OCO3)=C(N)C12CCCC2 109087958 OAYJUKDHCUKLPB-UHFFFAOYSA-N 415.450 0.318 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)CCO1 409573151 FCVKSAOWKAVECK-GXTWGEPZSA-N 407.414 0.915 30 20 HCED CCN(CCC#N)S(=O)(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 410147462 BHSZRQDCHNEVTO-SFHVURJKSA-N 422.507 0.887 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C#N)c(Br)c1 432944298 MBYGUWNHXSDXCU-LBPRGKRZSA-N 416.253 0.373 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 434991117 MPFCVYNGKQKJQB-LBPRGKRZSA-N 412.468 0.367 30 20 HCED Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 436128305 FXWMUSAKHDNLBW-WBVHZDCISA-N 422.507 0.567 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)C1=O 440254208 KFRIBTIJRIWAMQ-HNNXBMFYSA-N 411.455 0.554 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1 440947668 ZKNBRGUNCFIMNK-JKSUJKDBSA-N 422.507 0.592 30 20 HCED C[C@](O)(CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CN1CCOCC1 443245232 QSYZJQSATSNSFQ-HNNXBMFYSA-N 407.414 0.939 30 20 HCED Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C(F)(F)F)n1 446505412 LZEUHHFWFJVUKK-UHFFFAOYSA-N 407.356 0.993 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)c1 447237172 YYMDCEFBBIZLKC-UHFFFAOYSA-N 411.827 0.374 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)CNc2ccc(C#N)cn2)ccc1OC 447616155 WGMJISXGVBLTNP-UHFFFAOYSA-N 419.463 0.937 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)cn1 460697211 JQPFKTIDOHWVFM-AWEZNQCLSA-N 405.422 0.608 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 463342406 GIKMYTDWKFLZGI-UHFFFAOYSA-N 414.465 0.535 30 20 HCED COC[C@](C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 465143694 CLXCTRHMQWSZRH-IBGZPJMESA-N 423.491 0.653 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1nnc2ccccc2c1=O 465190188 ZASVKEUAUVHXIR-CQSZACIVSA-N 404.434 0.581 30 20 HCED Cc1ccccc1C[C@@H](CO)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 467133228 GKDRWAUIMDJLNU-SFHVURJKSA-N 418.457 1.414 30 20 HCED N#Cc1ccc(OCCNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 469614063 VIOYYZPDAUBAQX-GOSISDBHSA-N 420.425 0.984 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CN(C)C4)CC2)c1C#N 472887775 KJNAEIMNNOTZFX-UHFFFAOYSA-N 407.478 0.833 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](C)CC(=O)OC)CC1 473196704 MLVGMEZVLMHQIZ-AWEZNQCLSA-N 402.451 0.991 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 473383351 BUYYVVDZYVGWRO-HXUWFJFHSA-N 423.517 0.816 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 474217035 QFSSPOZINNPYBD-UHFFFAOYSA-N 415.537 0.760 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C(N)=O)o3)CC2)cc1 475271259 BLFLGWBKUYOJBM-UHFFFAOYSA-N 417.447 0.466 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 479911097 KOBPWASJUNCQTR-LBPRGKRZSA-N 405.436 0.619 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1Cc1ccon1 480950154 HVUSUURDUAKTQS-UHFFFAOYSA-N 422.466 0.760 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)cn1C 482286811 QPGCNWGCWVPCRD-UHFFFAOYSA-N 402.480 0.816 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCN2CCCS2(=O)=O)cc1 483441082 FBNGHDIDTCXAEB-GFCCVEGCSA-N 400.482 0.529 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)OCC)cc2)CC1 491072418 ADMUUUHLBOHAGV-UHFFFAOYSA-N 402.451 0.248 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)c(Cl)c2)CC1 491078606 PPXPDNOSRFDMRZ-UHFFFAOYSA-N 421.885 0.683 30 20 HCED C=CCN1CC[C@H](N2CCN([C@H]3CCN(CC=C)C3=O)[C@@H](c3cnn(C)c3)C2)C1=O 499616482 BBNCLCDCEIHYNL-SLFFLAALSA-N 412.538 0.653 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1=O 500493885 OTJZRLBVIGOBHJ-INIZCTEOSA-N 412.450 0.431 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)c(F)c1 502241649 JICICWJXDDAFKW-WMZOPIPTSA-N 413.453 0.616 30 20 HCED Cc1cc(N[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nn1CCC#N 504377257 VSZAWZKRAZMWCM-AWEZNQCLSA-N 404.496 0.912 30 20 HCED C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N1CCOCC1 507357777 KWCMHSKOFGKTLC-UHFFFAOYSA-N 406.464 0.772 30 20 HCED Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1 510632306 ZEWUYTFMZWBNND-MRXNPFEDSA-N 411.466 0.780 30 20 HCED COCCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 517453920 MHWUYGYFCCATEE-UHFFFAOYSA-N 402.451 0.897 30 20 HCED C[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 523394976 YZAHKUCPKYFFAQ-YJBOKZPZSA-N 413.478 0.848 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)Cc3cccc(C#N)c3)CC2)cn1 525461590 ZUOMQDKFLGTYEK-UHFFFAOYSA-N 423.520 0.564 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3(O)Cc4ccccc4C3)n2)cc1 531397550 AJORXGNCRORHLK-UHFFFAOYSA-N 416.441 0.783 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC4(CC3)CNC(=O)C4)n2)c(F)c1 541146694 MCOGWLVDUNCSFZ-UHFFFAOYSA-N 410.409 0.950 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)C1=O 541760937 SKFPIGATOHWPOD-ZDUSSCGKSA-N 405.473 0.605 30 20 HCED N#Cc1ccc(CN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C2CC2)cc1 543244428 GKSKTKYNYIAPHF-FQEVSTJZSA-N 416.547 0.854 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)cc3OC)C2)nn1 546707883 ZSUWQRCOKYKBCV-ZDUSSCGKSA-N 412.406 0.747 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNS(=O)(=O)c2ccc(C#N)o2)CC1 553831284 LUTCKVLZFQMKLE-UHFFFAOYSA-N 424.504 0.566 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2=O)cc1 554259254 GEMMIZDLHMFDLQ-MAUKXSAKSA-N 423.473 0.297 30 20 HCED CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 560299929 SDMMCRDXWVJIQI-FQEVSTJZSA-N 420.517 0.891 30 20 HCED CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 562145823 OIVYIVVKVPFIKK-UHFFFAOYSA-N 405.422 0.592 30 20 HCED C[C@H](c1nc(-c2ccccc2S(=O)(=O)N2CCOCC2)no1)n1cnc(C#N)n1 578632760 MNICPEUXKBLJPF-GFCCVEGCSA-N 415.435 0.830 30 20 HCED COCCC(C)(C)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 581331396 PBGJPJZPTRIKCE-QGZVFWFLSA-N 400.479 0.954 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cc3n(n2)CCCC3)CC1 588365309 VHDOYUFKEWSBTN-UHFFFAOYSA-N 409.450 1.244 30 20 HCED CN(CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 603549375 ZBOKQVFCEDRQRG-LJQANCHMSA-N 404.536 0.711 30 20 HCED CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603590226 BKGVLCWWDNDPAT-OAHLLOKOSA-N 407.496 0.886 30 20 HCED Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 604147475 VEUCIODLLUREPB-UHFFFAOYSA-N 411.466 0.998 30 20 HCED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2ccccc2C#N)CC1 609441940 FEBQDIRFMQVSIJ-UHFFFAOYSA-N 420.516 0.936 30 20 HCED CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 610126665 MAIPDIMBGHIAKV-ZBFHGGJFSA-N 413.521 0.964 30 20 HCED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 610900800 LRLZTWQEZZUGNM-BEFAXECRSA-N 420.535 0.794 30 20 HCED CCN(C(=O)CN1CC[C@](F)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 615636212 XAFXVJNTYWOLDE-FQEVSTJZSA-N 414.441 0.870 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3nnc4nc[nH]n34)nnc12 646266842 VKEGYFBCGAAHIN-UHFFFAOYSA-N 422.434 0.727 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 728532450 ZXCCWWNCAUONKE-KRWDZBQOSA-N 402.882 0.587 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 728570364 APBKJYHFQIPLHI-CYBMUJFWSA-N 408.405 0.702 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)[C@H](C#N)c1nc2ccccc2s1 728915316 PWAHTBMLNUIHPM-OLZOCXBDSA-N 420.516 0.708 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CSc2nnnn2C2CCCC2)CC1 729256733 FQUOMZWSXQKYTQ-UHFFFAOYSA-N 405.528 0.164 30 20 HCED CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 729687318 BJDACVINDIZTDD-GFCCVEGCSA-N 410.452 0.658 30 20 HCED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCCn2ncc(C#N)c2N)C1=O 731771299 ATHFWDKUIKJKBY-SFHVURJKSA-N 400.370 0.486 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1F 740708910 LHHDHEMUXZQGFI-GFCCVEGCSA-N 405.473 0.183 30 20 HCED C#CCCN1CCN(C(=O)c2cccc(C(=O)N3CCN(CCC#C)CC3)n2)CC1 744366577 URJNJWVNOKIHOC-UHFFFAOYSA-N 407.518 0.644 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCN1C(=O)NC2(CCCC2)C1=O 744617678 NYWZABJRNDXUCV-UHFFFAOYSA-N 420.447 0.244 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)CC1 747816468 GKRCPGZOSVWKDR-UHFFFAOYSA-N 404.555 0.849 30 20 HCED C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 749657221 IWNKJRIIFBCZIG-UHFFFAOYSA-N 409.483 0.628 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@H](CC)CO)CC2)cc1C#N 752403022 AMLFVKGTFQYRKM-MRXNPFEDSA-N 417.466 0.980 30 20 HCED CS(=O)(=O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 764377723 SPONMJPDLFABGZ-OAHLLOKOSA-N 421.500 0.627 30 20 HCED C[C@H](CC(=O)Nc1nc(SCCO)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 764640101 NKPWSVWVMRLHBE-SECBINFHSA-N 410.481 0.345 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)[C@@H]1CCCO1 773795895 ZOTKBLPARPWTMS-ZBFHGGJFSA-N 423.491 0.571 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 773984525 UQYVPFOHRZSWCB-OAHLLOKOSA-N 407.386 0.682 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2sccc2Cl)c1=O 782793793 UVYSGSFJFOUNNJ-UHFFFAOYSA-N 421.931 0.914 30 20 HCED CN(CCN1CCOC(C)(C)C1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 790129420 WCLIKTBNSLGHDR-UHFFFAOYSA-N 408.524 0.684 30 20 HCED C#CCC[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 799077951 VBXYZDDUYXMMIL-QGZVFWFLSA-N 407.492 0.044 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OC)c2F)c1=O 799939194 GEJXHZVEEVENBY-UHFFFAOYSA-N 411.458 0.816 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)C1=O 801352888 PDELJBHJHZNFDU-GFCCVEGCSA-N 418.381 0.420 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)c1C#N 810456810 XOXVGHXASBYMJA-UHFFFAOYSA-N 423.462 0.586 30 20 HCED CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814816076 JDXPXXGRKSBGMG-UHFFFAOYSA-N 409.489 0.789 30 20 HCED N#CCCOCCOC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 815168427 BPAKZGUIOANXKB-HIFRSBDPSA-N 402.856 0.937 30 20 HCED CN(C)C(=O)[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCN1C(=O)[C@@H](F)C(F)(F)F 815786025 QXERNHUAMSPTPH-XLPZGREQSA-N 413.265 0.915 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC(C)(C)CCO)cc1 821573786 DTTAMFXWMYLZTQ-RCCKNPSSSA-N 410.496 0.715 30 20 HCED N#Cc1cnn2c(O)cc(CN3CCN(CCNC(=O)c4ccccc4F)CC3)nc12 1307491930 XDGGKUIFCSUZDG-UHFFFAOYSA-N 423.452 0.993 30 20 HCED N#C[C@@H]1CC[C@H](N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1 1307566467 ZZODOZOEEIFXOD-SJORKVTESA-N 405.524 0.917 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2cccc(C(N)=O)c2)CCO1 1521130461 WNVFFEMUIHWDDJ-INIZCTEOSA-N 404.434 0.805 30 20 HCED COCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619773759 PSNIDCAHKQKRDI-YLJYHZDGSA-N 414.514 0.643 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)C2)c(F)c1 1627514379 WGHQSPVSKWJQBP-CABCVRRESA-N 409.487 0.698 30 20 HCED N#CCc1ccccc1C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1630587115 QDCSDOQHCMYQNL-OAHLLOKOSA-N 411.505 0.027 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CC[C@H](O)C1 1631345186 XGONXNLXHROWEP-GOEBONIOSA-N 408.524 0.323 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1 1638202635 PQFOCAFYKCBLTF-MRXNPFEDSA-N 411.505 0.262 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)C1 1679945077 SZLODRCJYLVRAX-BPUTZDHNSA-N 419.486 0.876 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1706748030 SEARMFCPCMOKRL-GHMZBOCLSA-N 422.433 0.597 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccn(C)n1 1706864871 RMPDBVRZOIPQJX-ZDUSSCGKSA-N 406.516 0.604 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCCC1 1706871334 OFMDWKFVPDOAKX-WMLDXEAASA-N 413.523 0.816 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(C)(C)O 1726646536 VSKULXXLMRJKJA-CABCVRRESA-N 412.498 0.930 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1741131821 VGFIGTUJIPFKFO-CJNGLKHVSA-N 411.466 0.737 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1778804241 ZOFFDQMQCPMCFX-WIYYLYMNSA-N 424.494 0.913 30 20 HCED 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Cc1ccc(C(=O)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cc1 1840098295 KINXTRBMTMCXSH-QFIPXVFZSA-N 411.458 0.938 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4ncnn4c3)C2)C1 1840163190 NUQXAMULABOPQL-IFXJQAMLSA-N 419.507 0.047 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840167137 YVEKTHVILJLXEA-HXUWFJFHSA-N 404.467 0.302 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)NCCC)C2)C1 1840291800 GOFGAEVMNNHEQN-JOCHJYFZSA-N 421.538 0.943 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1840402620 HPEGKUBLNNTTQP-LAUBAEHRSA-N 400.479 0.622 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840567349 OJIUDABXDQMHKE-GOSISDBHSA-N 403.470 0.994 30 20 HCED COC(=O)c1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c(C)c1 1840785675 KCKKOYBQFCMSMK-OAQYLSRUSA-N 415.446 0.765 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCSCC3)CCO2)C1 1840923071 MJBFLRWNSWWTII-JXFKEZNVSA-N 410.536 0.624 30 20 HCED O=C(CCN1CCOC1=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301020 NQLNZTBUFWMQPS-XNHPLOEXSA-N 408.455 0.561 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3c(O)nnc3O)cc2)C1 1844740126 IMZVGRRAJNQGDH-NSHDSACASA-N 403.464 0.814 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)c1cnncc1C(=O)O)C2 1846979971 PKYNMFDHENMISH-UHFFFAOYSA-N 421.413 0.942 30 20 HCED Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 25344340 UVQZDASYMMITAC-UHFFFAOYSA-N 422.488 0.773 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cc(C#N)ccn2)CC1 29445138 FDKAIFMVOPURQZ-AWEZNQCLSA-N 414.491 0.750 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1 32363609 VFABRNSYEOVUAH-UHFFFAOYSA-N 401.448 0.433 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 50164488 XIMGSZPFPAUHDI-UHFFFAOYSA-N 408.480 0.826 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)ccc1OCC(F)(F)F 51894221 TXSRKUXMLKKAPO-GFCCVEGCSA-N 400.313 0.151 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(N)(=O)=O)cc1 140942171 AFWHMWWQAINVLW-UHFFFAOYSA-N 402.432 0.859 30 20 HCED C[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 429000784 AFEMQGJCHPESJS-RHSMWYFYSA-N 404.492 0.878 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 437479562 UTAKCEDAKBPYIZ-IYOUNJFTSA-N 407.492 0.784 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)cc1 441929042 WQGHLGFXNZVMLN-CYBMUJFWSA-N 400.435 0.607 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C#N)c1C 442353330 RBJXRRSVJXUILG-UHFFFAOYSA-N 423.476 0.370 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 445107310 JJIOOLMDANLVJE-KRWDZBQOSA-N 402.495 0.590 30 20 HCED CN(Cc1nc(-c2cn(C)c(=O)nc2O)no1)S(=O)(=O)c1ccc(C#N)cc1 445435849 LCGNIVNYAAZMKV-UHFFFAOYSA-N 402.392 0.228 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)NCc3ccc(F)cc3F)no2)C1=O 445836255 UKWVDNYYVGDQFW-UHFFFAOYSA-N 419.344 0.684 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)nc1 446085684 ZWHBJERVIWSAIZ-CAMMJAKZSA-N 420.473 0.592 30 20 HCED CCOC(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446531522 MSDZSKVVKLDYBX-UHFFFAOYSA-N 402.451 0.876 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1CCN(c2ccccn2)CC1 465274219 JOMARVXISQHMEJ-GOSISDBHSA-N 420.521 0.993 30 20 HCED C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 469519287 QKXKVHLCHBUELI-CKOOPXGMSA-N 422.485 0.774 30 20 HCED C[C@@H](CO)N1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 469852409 OSBTWOMACOPFDE-ZWKOTPCHSA-N 405.568 0.845 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 479816510 HYIDKQAWRJETFM-RHSMWYFYSA-N 420.491 0.075 30 20 HCED CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)S(C)(=O)=O 480575577 JCKDKUBBAYVQOK-CYBMUJFWSA-N 416.525 0.013 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 480963074 NEISIJTYDOJEOE-GFCCVEGCSA-N 414.509 0.775 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCN3CCC[C@H]3C(N)=O)C2=O)cc1 486488923 PDEYMYHOEAQWAF-MSOLQXFVSA-N 412.494 0.298 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1 490363863 HLEYKFLDKQRADY-UHFFFAOYSA-N 411.506 0.881 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](O)Cc3ccccc3)n2)cc1 491307200 GBJITRDLCBAXAD-SFHVURJKSA-N 404.430 0.856 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(F)(F)F)[C@@H](CO)C3)CC2)o1 511670595 JLWYMUCBFPMSOW-ZIAGYGMSSA-N 415.416 0.996 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CC2 513155338 OZVMVRHANRVKEO-UHFFFAOYSA-N 421.392 0.500 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 513397946 XTRAHAXOBKQSLI-UHFFFAOYSA-N 402.480 0.638 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CC1 523003430 VKPRHPRHBKFGFF-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2cc(C)ccc2F)c1=O 533579504 HIRJWQLJEMKWJL-UHFFFAOYSA-N 411.462 0.812 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(O)(C(=O)OC)CC1 537684909 WMDZUBWLXDXYLM-UHFFFAOYSA-N 406.483 0.952 30 20 HCED COCCCNC(=O)CN(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 538360389 LEYDTJJPBPARSD-LJQANCHMSA-N 419.501 0.619 30 20 HCED CN1CCN(c2ncccc2CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 542825739 TYXJZCYTZUPDRW-UHFFFAOYSA-N 411.514 0.785 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546197227 ILLDCRDITYSJPW-UHFFFAOYSA-N 406.446 0.942 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN(CC)c2ccccc2C)CC1 550825374 SCLQEEVCSDEYAO-UHFFFAOYSA-N 415.538 0.384 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)CC1)C(C)C 550839160 TZEMMJOKGISQMQ-IBGZPJMESA-N 402.543 0.884 30 20 HCED C[C@]1(C[C@H]2CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)NC(=O)NC1=O 553451994 DFYPXHFVZGLRAW-FOIQADDNSA-N 407.434 0.919 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 554321536 BVJCSNNWICHKGP-DOMZBBRYSA-N 414.509 0.918 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 560755083 YNQDOWXQMFUVNG-AWEZNQCLSA-N 404.452 0.037 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 566553792 WQEAYTNLQNZYSI-INIZCTEOSA-N 409.450 0.176 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCSC[C@@H]3CCO)C2=O)cc1 569028407 BBISBIOLBSKEQD-IRXDYDNUSA-N 416.503 0.102 30 20 HCED CO[C@@H]1COC[C@H]1n1cc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)nn1 572654327 AFFMXCTZCXYVON-IAGOWNOFSA-N 412.450 0.920 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC1 589248386 YDIBOSLKDMRCFG-LJAQVGFWSA-N 419.507 0.490 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCCN(Cc2ccc(C#N)cc2)CC1 590615042 IQZCDQWRBHSWEM-VQIMIIECSA-N 404.536 0.758 30 20 HCED N#Cc1cccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 603640627 OZFCGGJHESLHNK-UHFFFAOYSA-N 406.489 0.717 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(C#N)o2)c1=O 608474573 NVCJURBKENGFCJ-UHFFFAOYSA-N 412.471 0.581 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1C 608913324 WQCMZDNESMDPDT-UHFFFAOYSA-N 409.493 0.295 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1[N+](=O)[O-] 609311378 RSINCIWXHHYGCL-UHFFFAOYSA-N 416.459 0.639 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccc(OC)nc1 609739293 SBOGXTYJKQFONZ-UHFFFAOYSA-N 424.457 0.999 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cc1 682270533 XGXUREBAFAWBNG-GOSISDBHSA-N 413.522 0.826 30 20 HCED COc1c(Cl)cc(Cl)cc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 727160379 CJWWQUGFXZYJCR-UHFFFAOYSA-N 409.254 0.737 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 729674538 JNFSOXWGYXSPIC-UHFFFAOYSA-N 405.501 0.078 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)OCCN(C)S(=O)(=O)N(C)C)cc1 731143771 COUPCBDHMHRVIJ-UHFFFAOYSA-N 405.498 0.046 30 20 HCED CCOCCOc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731851036 DGTVIANYMNMAHK-ZCXUNETKSA-N 409.464 0.907 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccccc3Cl)CC2)c1=O 732410789 HVPYZIZTFNRANA-UHFFFAOYSA-N 417.897 0.977 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)CC1 733149585 LVYWITXIBVSXQY-UHFFFAOYSA-N 402.470 0.560 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(CNC(=O)OC)cc2)CC1 735394821 UJVRZOIRBGKYEX-UHFFFAOYSA-N 400.435 0.469 30 20 HCED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 740848228 OYTAUHMIRZMJKN-CHWSQXEVSA-N 413.521 0.587 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 743890547 MMXZGKIMCIJLFV-UHFFFAOYSA-N 407.496 0.536 30 20 HCED Cc1nc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)no1 743933850 VAXDWJLSCQKSBI-PXLXIMEGSA-N 420.451 0.446 30 20 HCED CC(=O)CCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 747901670 QTURNFHGNOMTNQ-UHFFFAOYSA-N 407.448 0.304 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O 750968579 SONXEMJEVYDQQH-ORAYPTAESA-N 410.438 0.437 30 20 HCED C=CCN(C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 754063154 BBBPCFUIWPEBRC-WOJBJXKFSA-N 423.579 0.853 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)c2cc3c(cc21)OCCO3 756881014 CVDZAAUXZSMHDY-CYBMUJFWSA-N 420.429 0.817 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CC1 759888048 ZWZYLZZPJNNMOR-UHFFFAOYSA-N 416.522 0.612 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 776059145 OEJJUCACACNOQV-OAHLLOKOSA-N 401.448 0.984 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)ccc1F 779565214 NMUHIHOTJFQTOE-LLVKDONJSA-N 409.443 0.632 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 780063285 VWSLNRDQBLPJEU-HUUCEWRRSA-N 413.478 0.727 30 20 HCED COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780891929 CZZNMMWBVXERER-KRWDZBQOSA-N 403.416 0.682 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782572977 HUBKLUFAURCMQL-UHFFFAOYSA-N 411.399 0.575 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(F)cc1OCC#N 782905761 PBHOOOWELQGRNU-UHFFFAOYSA-N 403.414 0.741 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(Oc2cnccn2)c1)[C@@H]1CCS(=O)(=O)C1 783479581 FAFNVKQNNZHWBN-OAHLLOKOSA-N 414.443 0.856 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 784822282 JNWYFWDCRQLWAN-KRWDZBQOSA-N 418.469 0.299 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc([S@](C)=O)c2)n1 789788662 LJYAVHHBKRMIKX-NDEPHWFRSA-N 402.476 0.867 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)n1 789789108 PKOCGOOJJSUSBC-UHFFFAOYSA-N 423.473 0.758 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1=O 801290335 BEXGNELCPCPMDV-PXNSSMCTSA-N 410.522 0.935 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC)c1ccncc1 805811857 VNZRSPYNQIEUQJ-QUSNUVHPSA-N 415.446 0.767 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N([C@@H](C)C(=O)NC)C1=O 813563283 ISNSLJCPUPVHNB-IINYFYTJSA-N 408.480 0.906 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)OCC(=O)NCc2ccc(OCC(N)=O)cc2)c1 814572542 GZBVEDVXPPEEQG-UHFFFAOYSA-N 410.430 0.962 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 915297291 BEZCHCQAKKOULM-UHFFFAOYSA-N 421.500 0.835 30 20 HCED 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C#CC(=O)N1CC2(CCCN2C(=O)[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]3CCO[C@H]23)C1 1846184679 AMFZCQRBQZWZJM-ZMSDIMECSA-N 403.479 0.847 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 409593964 ZAABNDYAZDXASE-AWEZNQCLSA-N 413.931 0.914 30 20 HCED COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1c(N)nc(C#N)c1C#N 427098920 DBOGAOBIAJZQEZ-UHFFFAOYSA-N 409.450 0.939 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCC(=O)Nc2ccc(Br)cc2)n1 437353978 GBOGFEOYSZWGOI-UHFFFAOYSA-N 419.239 1.253 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C)c1=O 443685929 WCJKZQHYZYYHCN-UHFFFAOYSA-N 417.560 0.568 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 444507324 KZMMNYXDCADJRK-UHFFFAOYSA-N 414.853 1.373 30 20 HCED C=CCc1ccccc1OC[C@H](O)Cn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 447162833 MFKAZNDKVBSTFZ-CQSZACIVSA-N 418.475 0.702 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)Nc1cccn(Cc2ccccc2)c1=O 447267066 ZBSVQVMDZHNNQE-UHFFFAOYSA-N 419.445 0.761 30 20 HCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(=O)c1C#N 467210637 DHXQVEXQQXSMGK-UHFFFAOYSA-N 418.450 0.701 30 20 HCED COC[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)OC 471046426 BFKDOBUMMXFKGR-INIZCTEOSA-N 402.451 0.986 30 20 HCED CC1CCC(NC(=O)CN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1 477439106 XTMXVYRUZZSFKM-UHFFFAOYSA-N 402.543 0.955 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@](C)(O)CN3CCOCC3)C2)n1 480505991 QTGHTTITMDOFHX-GHTZIAJQSA-N 401.511 0.678 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 480519546 BWPRIDHXHXQWTJ-WMLDXEAASA-N 418.519 0.990 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CC(=O)OCC)c2)CC1 491169390 BMCXCXHLCKZWQX-UHFFFAOYSA-N 416.478 0.177 30 20 HCED C[C@H]1OCC[C@]1(C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494258219 YHSIOBSUYVGIKB-BEFAXECRSA-N 406.508 0.548 30 20 HCED C=CCN1CC[C@H](N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)C1=O 499537901 KJESYZHGYQKZLV-IBGZPJMESA-N 406.552 0.678 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 502232852 MTZBQKCOMAWVEW-RTBURBONSA-N 409.490 0.472 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCc3nn[nH]c3C2)CC1 505118713 FMYLXICJKSXDAZ-ZDUSSCGKSA-N 400.464 0.314 30 20 HCED Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(C#N)c1 506199856 SFDQTVBTSSJHFN-AWEZNQCLSA-N 415.475 0.428 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@H]1[C@H]1CCCO1 507342766 YRUQCAVTQCKBCU-FUHWJXTLSA-N 403.435 0.928 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)cc1 508268490 QZHYZSPEZNKAIS-INIZCTEOSA-N 422.507 0.471 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)n1 510096092 WSSKAWVMUHIMSS-NSHDSACASA-N 420.426 0.308 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(C2CC2)c1=O 512786103 ULWNCUZBOHBELS-UHFFFAOYSA-N 409.471 0.874 30 20 HCED Cn1c(N)c(C(=O)CN2CCC(Oc3ccc(C#N)cc3F)CC2)c(=O)n(C)c1=O 512824210 PHXALBYGFZZSPN-UHFFFAOYSA-N 415.425 0.403 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)c1 515725652 SMTLJZLSDJGCMZ-HNNXBMFYSA-N 416.521 0.427 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c1 531634985 GJXCGOAUHGTGIZ-OAHLLOKOSA-N 416.521 0.427 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 532914756 PLIPPYVXSWTPNF-UHFFFAOYSA-N 413.507 0.530 30 20 HCED COc1cc(C)c(CN2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)cc1OC 533415095 GUQZJFIXPVEGHQ-SFHVURJKSA-N 402.495 0.881 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)c1 547417606 ZBAKBUHHQDJLAO-UHFFFAOYSA-N 402.432 0.730 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2)nc1 551428147 MNGYLNSKNHCJBN-MRXNPFEDSA-N 423.433 0.047 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)C2)c(F)c1 554152447 XTDBKFVCEUXUGZ-IAGOWNOFSA-N 415.469 0.325 30 20 HCED CNS(=O)(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 554852718 CHFPWWCPUHIGPB-UHFFFAOYSA-N 411.553 0.909 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Br)cc2)n1 556048078 KYURDHIOCGGFJL-UHFFFAOYSA-N 406.240 0.992 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 559251067 VNFKLVQNLSFALL-UHFFFAOYSA-N 404.448 0.952 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(N(C)C)nc3)CC2)c1C#N 559766198 OASJRURVDPYJDW-UHFFFAOYSA-N 410.482 0.026 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F 566347965 HGAFXVFODRTRDV-JTQLQIEISA-N 415.401 1.000 30 20 HCED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568454273 GUQGQZLVWORKEQ-OAHLLOKOSA-N 406.508 0.548 30 20 HCED C=CCn1c(Cc2noc(-c3cncc(-n4ccnn4)c3)n2)nnc1N1CCOCC1 570127024 QXWBMJRBWOFHBT-UHFFFAOYSA-N 420.437 0.917 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCNC(=O)c1cccnc1 571587028 YGWQVZBTMPOTQC-UHFFFAOYSA-N 422.489 0.390 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 578950301 LRRJRETUDBJHRW-DLBZAZTESA-N 419.507 0.382 30 20 HCED COCCCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 580248998 YORZZNVNFOWYON-UHFFFAOYSA-N 422.507 0.228 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 581856445 UKEAMUJBRRGTFB-OAHLLOKOSA-N 402.480 0.355 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)C1=O 581904092 ZOYVVPSHAWUEMH-IRXDYDNUSA-N 404.511 0.529 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCO1 583276297 VDQYBQWEFTZNKZ-ZDUSSCGKSA-N 407.901 0.563 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 584343660 HMLQNKMZGCDCDU-UHFFFAOYSA-N 419.511 0.877 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)CC1 588125890 QOZAVUSZWCZIBU-QGZVFWFLSA-N 411.506 0.759 30 20 HCED N#CC1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 590484832 MTGBIPSJGWZENX-UHFFFAOYSA-N 424.910 0.935 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 604071141 JCVYLYUIGUHSGS-UHFFFAOYSA-N 423.472 0.768 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1CC 604118373 IGIIEMBHTIBWNW-UHFFFAOYSA-N 419.528 0.362 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1=O 727427200 ACONVKZLINTLCX-QGZVFWFLSA-N 420.416 0.853 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1 728589535 GSEHXQLSCJTCCT-UHFFFAOYSA-N 413.883 0.182 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 728590003 QTXWRFUWWJCEPB-UHFFFAOYSA-N 405.398 0.641 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCn2c(S)nnc2-c2cccs2)CC1 728608723 RJCTXCUYJUENGD-UHFFFAOYSA-N 418.548 0.579 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)CC1 729257267 ZBFGBBSRMFHSQW-KRWDZBQOSA-N 412.490 0.474 30 20 HCED CCn1c(CCC(=O)OCC(=O)NCC#N)nc2cc(S(=O)(=O)N(C)C)ccc21 731239516 PLPCZAZAIBOMQS-UHFFFAOYSA-N 421.479 0.422 30 20 HCED N#C[C@H](C(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732911056 XOZBPQSZNASUID-QWHCGFSZSA-N 407.423 0.144 30 20 HCED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CCN1Cc1ccccc1 734069143 NBGQBWFRWJGWJV-SFHVURJKSA-N 421.523 0.068 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](N(C)Cc3ccccc3)C2)c1=O 743378678 XZOYHTHTBHRSNM-LJQANCHMSA-N 411.506 0.708 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747742225 QUBSUGJLFUZZNE-UHFFFAOYSA-N 402.476 0.103 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749870737 UXKFZANGCZPFQS-AWEZNQCLSA-N 415.519 0.190 30 20 HCED COCCc1nnc(SCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n1N 754803860 IUZIFAPFKYSICD-MRXNPFEDSA-N 415.523 0.682 30 20 HCED C=C(C)[C@@H](CC(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1)OCC 756470068 JICXWRVJXGLBIG-MRXNPFEDSA-N 416.482 0.926 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 758056678 AEIWXTSXVIWFDF-ZBFHGGJFSA-N 423.494 0.621 30 20 HCED C[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCS1(=O)=O 759140391 DRQRTAQRLPLHJD-MCIONIFRSA-N 400.501 0.964 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 761022662 CCNIQOKXODJTNU-MRXNPFEDSA-N 401.916 0.303 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767553002 OOWVWGYVYPOSAD-FQEVSTJZSA-N 416.482 0.503 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(CC2CCOCC2)CC1)c1cc[nH]n1 772281820 PLAZPLDTRPTFFF-UHFFFAOYSA-N 407.471 0.264 30 20 HCED C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 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422.551 0.929 30 20 HCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccnc(C#N)c1 795969108 CUGANSZYRYVMQT-LLVKDONJSA-N 400.416 0.735 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)CSc2cccc(F)c2)CC1 796178672 DBBVBYKDCRVIDI-FQEVSTJZSA-N 407.511 0.953 30 20 HCED Cc1nc2cc(F)c(F)cc2n1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796712451 IYKOLKAXOZDCJK-NSHDSACASA-N 410.402 0.589 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 800911277 VQSGAEVDNVOJHG-OAHLLOKOSA-N 403.549 0.950 30 20 HCED CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 803704050 LRMCBAZKEDSKFG-UHFFFAOYSA-N 415.475 0.342 30 20 HCED C[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)Nc1cccc(C#N)c1 803860113 DNGFMCLFHATDSO-JTQLQIEISA-N 404.404 0.297 30 20 HCED C[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)Nc1ccccc1C#N 803861755 GLQSNUBXOCFAIG-SNVBAGLBSA-N 404.404 0.297 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 804558864 RMSPWSMLHLCETR-IFXJQAMLSA-N 418.475 0.191 30 20 HCED 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410.518 0.862 30 20 HCED C#CC(=O)NC[C@H]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)[C@H]1c1cccnc1 1812528192 GMWXPBMTDGBLJR-MJGOQNOKSA-N 418.519 0.392 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817247687 NPXDHLJMGQVRSG-QEJZJMRPSA-N 420.514 0.568 30 20 HCED CC(C)(NCCC#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H]2CCC(=O)N2)[nH]n1 1817315302 GQDKSCDDOIGBTH-HIFRSBDPSA-N 415.498 0.962 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819669472 UWBRXLVGEQYQME-TVQRCGJNSA-N 405.480 0.504 30 20 HCED CC(C)(C#N)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825068873 JGIFYZZUAXEART-HUUCEWRRSA-N 403.483 0.754 30 20 HCED CC(C)OCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1830017697 QVTMGTGGRXRLPM-JOCHJYFZSA-N 422.522 0.566 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](O)C(C)C)CCO3)c1 1830871770 AQOXUEQIGVHSQV-UGKGYDQZSA-N 415.490 0.954 30 20 HCED Cc1nn(C)c(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1831803929 JJORYJGZNNDMEE-OAQYLSRUSA-N 400.479 0.520 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CCC(=O)N1CCCC1)CCO2 1832420014 YJRMCIYHKMSISE-JOCHJYFZSA-N 417.506 0.259 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cccn1)CCO2 1833193032 FMTOUSNNQUHTFV-YLJYHZDGSA-N 422.551 0.895 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1833485611 WBQGOMVRLXXDEQ-KBPBESRZSA-N 419.613 0.557 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC(F)F)cn1)CCO2 1833636733 ARXRBZHROGDSFR-SFHVURJKSA-N 410.377 0.667 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1ccccn1)CCO2 1833985671 JGVXREBEQQYTNL-XZEIMLRBSA-N 412.446 0.864 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C)n3)CCO2)C1 1834046416 NZPNGCSLXUPZQX-DYESRHJHSA-N 401.463 0.498 30 20 HCED COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c(O)c1OC 1834765505 PMYYFAFOSXUAGN-HXUWFJFHSA-N 419.434 0.393 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C3=NNC(=O)C3)CC2)CC1 1835701492 IPHWNKGOPDXWLJ-KRWDZBQOSA-N 419.526 0.007 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1836864890 RQVXUBCFNJOHFS-INIZCTEOSA-N 405.499 0.868 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837091759 MLHQURXKDIPMDK-FQEVSTJZSA-N 420.535 0.819 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648478 KTDPCOXUXIFVLU-NQIIRXRSSA-N 417.510 0.564 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(CC)s3)CCO2)C1 1837718401 PSVAOXUMNGXFSV-FOIQADDNSA-N 421.519 0.814 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839264 CEIXTHQYNVMVII-BZNIZROVSA-N 400.888 0.518 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c(O)c1 1838890455 WIACMGUUTCPUIY-ORAYPTAESA-N 410.492 0.789 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccn3C)C2)C1 1839223617 AWOYGFRRHGSJBF-KXBFYZLASA-N 407.471 0.291 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 1839811887 USYLKHWAHNUVAK-WHSLLNHNSA-N 421.494 0.379 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ncccn34)C2)C1 1840160722 QHEOAKHPFIIWCY-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1840843313 IJIXGEHEZBWJEE-NJNPRVFISA-N 417.506 0.257 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCNC3=O)C2 1844236193 XKKMPTIXVKWPLO-OAHLLOKOSA-N 401.467 0.017 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2nccnc2C(N)=O)c1 1847472446 QFZOARAMHLRVBK-IRXDYDNUSA-N 418.457 0.895 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1 31806811 ZBZPOGUUFMNXQS-UHFFFAOYSA-N 423.429 0.883 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1=O 440238439 IABXTYCVNAKHMH-INIZCTEOSA-N 420.491 0.193 30 20 HCED COC(=O)Cn1cc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nn1 441443170 DLTNWSMTUHFRMJ-UHFFFAOYSA-N 411.466 0.740 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CS(=O)(=O)CCO2)CC1 446627753 ZQHNSTBAHKHGJZ-GPANFISMSA-N 408.480 0.756 30 20 HCED COCCOC[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460685496 AWFBPRFYGVRPIO-INIZCTEOSA-N 412.450 0.897 30 20 HCED CO[C@]1(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCOC1 461792244 YUADVJRWQDWEDK-SFHVURJKSA-N 403.826 1.258 30 20 HCED C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 469204751 OSIVWVDXMMMHMB-AWEZNQCLSA-N 406.508 0.454 30 20 HCED Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 474216430 WNWZCJUYHCJHEL-UHFFFAOYSA-N 404.408 0.347 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C)cn2)c1=O 474340863 MGDBCQXFVNIQRX-UHFFFAOYSA-N 412.515 0.845 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC 477291694 RBJXXOFOBPQOHG-UHFFFAOYSA-N 402.407 0.782 30 20 HCED CC[C@@H](C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 478815787 VHMVZHKRCIUNIT-HNNXBMFYSA-N 422.507 0.727 30 20 HCED N#Cc1ccc(S(=O)(=O)CCn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 481277656 WZKPLNZMSXJFMD-UHFFFAOYSA-N 421.500 0.978 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 489025008 MXJUUKZLYIIKIK-CQSZACIVSA-N 411.483 0.917 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 491123653 NKEFYXHCCQKEEB-UHFFFAOYSA-N 414.384 0.970 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)c1 500906286 OKZYJTOQAGTYCX-UHFFFAOYSA-N 402.429 0.224 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 503675083 ZIISIPDIPOPHAI-UHFFFAOYSA-N 403.464 0.640 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)c1 504840486 RZZWSGHFFQIAOU-UHFFFAOYSA-N 422.441 0.739 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 511514727 JJGDUIQJGDSWFK-UHFFFAOYSA-N 410.478 0.906 30 20 HCED N#CC1(NC(=O)CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CCC1 514324778 BLZHJWZYYAMUPP-UHFFFAOYSA-N 419.507 0.547 30 20 HCED N#Cc1cccc(-c2cc(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)on2)c1 514991272 HPSRFAAWBNOOMP-AWEZNQCLSA-N 402.432 0.636 30 20 HCED C=CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)[C@@H]1CCS(=O)(=O)C1 516698990 KCSZIJDWMPWNOF-GFCCVEGCSA-N 418.475 0.727 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)ccc2N2CCOCC2)CCO1 521590906 WJSRNTHWAVFTBC-CYBMUJFWSA-N 423.267 0.975 30 20 HCED N#CC1(NC(=O)CSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)CCC1 526126479 VKBRPHDWANNNNP-AWEZNQCLSA-N 406.512 0.948 30 20 HCED C=CC[C@@H](CO)CNC(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 527346521 SCFCAIPYJRSBDO-LLVKDONJSA-N 402.439 0.331 30 20 HCED CC(=O)N1CC[C@](C)(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 531081745 MJWKSPGMWOWHES-IBGZPJMESA-N 404.492 0.650 30 20 HCED CCC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 536174800 PMYIJUUMNSJHON-GOSISDBHSA-N 420.535 0.892 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 537489956 YTDDOZVOXIQZID-UHFFFAOYSA-N 402.838 0.907 30 20 HCED COc1ccnc(N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)c1 539239902 RCGCEVOPTDHSBR-LJQANCHMSA-N 400.527 0.905 30 20 HCED N#Cc1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)O)ccc1C(F)(F)F 548764625 GQFCPQZUFVYMJJ-ZDUSSCGKSA-N 407.370 0.641 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)C1=O 550171441 GDUXKIWEIIKBMO-RTBURBONSA-N 414.506 0.421 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 562024242 GGUMWRJAJZETBU-OAHLLOKOSA-N 400.468 0.730 30 20 HCED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C#N)C2)cc1[N+](=O)[O-] 570011906 CWLRUVRSNAFECL-GFCCVEGCSA-N 411.440 0.444 30 20 HCED CCN(C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1)CC(F)(F)F 588127611 NGTNARKMJLOTBH-CQSZACIVSA-N 403.449 0.823 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1CN(C)CCO1 589138346 BMBROJKFZHCJTB-KXBFYZLASA-N 400.479 0.763 30 20 HCED COc1cc([C@H](C#N)NC(=O)[C@@H]2CCCN2C(=O)CNC(C)=O)cc(OC)c1OC 611250100 XSCSWXVQGPEGCY-GJZGRUSLSA-N 418.450 0.520 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N(C)C(=O)OCC)CC2)c1=O 726966541 KLLBYLHFOOACPF-UHFFFAOYSA-N 407.471 0.054 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 727609143 HMTDOHKBZWDUDH-CQSZACIVSA-N 406.508 0.827 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCS(C)(=O)=O 728027354 CVOMQKQKVCROFF-AWEZNQCLSA-N 415.537 0.787 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3ccccc3Cl)nn2)CC1 729281950 SZJIMTLAFGHCBX-UHFFFAOYSA-N 400.870 0.818 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CN(C)CCN1C 731873367 QEJFHCZWVRUBNW-RDJZCZTQSA-N 421.567 0.646 30 20 HCED C#CC(C)(C)NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 733978652 MZGNFOXNLDVUNI-UHFFFAOYSA-N 407.471 0.229 30 20 HCED CCC(=O)N1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742566068 SQDIXBYORYOIKG-CQSZACIVSA-N 406.508 0.975 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1Cl 745479769 WJHLSMAPPPYDFQ-KFZJALRRSA-N 417.805 0.856 30 20 HCED C[C@@H](CC(=O)OCC(=O)N(C)C(C)(C)C#N)/N=C1/NS(=O)(=O)c2ccccc21 745498663 ZGXIXFJAPIVTOU-LBPRGKRZSA-N 406.464 0.807 30 20 HCED CNC(=O)CC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 746358608 ZWPXNQPXPGEJSY-CYBMUJFWSA-N 406.508 0.878 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCc2cc(OC)c(OC)cc2OC)CC1 747819988 GCDABFWQSPSVPG-UHFFFAOYSA-N 403.479 0.790 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)c(F)cc2F)CC1 747993858 RVIHMZJYCVMSSK-UHFFFAOYSA-N 406.389 0.850 30 20 HCED CN(C(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 748745020 LTISNPPJUZIYIN-CYBMUJFWSA-N 408.505 0.247 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)s2)c1=O 748790275 AHUMHYYFXQDBJJ-UHFFFAOYSA-N 414.512 0.615 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)CCn3cc(S(N)(=O)=O)cn3)C2=O)cc1 749327969 JKFSNZFWRISXOC-OAHLLOKOSA-N 403.420 0.141 30 20 HCED CN(C[C@H]1CCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749778294 RDJAIQNSOPQUSO-GICLCMKGSA-N 422.507 0.933 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 751676959 YRJCGHBGPKDCCP-CYBMUJFWSA-N 415.493 0.613 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 754391166 YWBGAPYFYICWGI-CQSZACIVSA-N 418.516 0.302 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 755695792 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C[C@H](S)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820025815 CHAIHUUJXFZNLP-ONGXEEELSA-N 403.468 0.923 30 20 HCED C[C@H](S)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)CC2 1826015903 VHFIAMCRIMNENI-JGVFFNPUSA-N 419.492 0.418 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC([C@H]3CCCCN3C(=O)[C@@H](N)CCC(N)=O)CC2)c1 1826821587 SARDWJHNDHSQMC-FUHWJXTLSA-N 414.510 0.712 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(OC)cc1)CCO2 1830223541 AVMHSZULNZETFO-IFMALSPDSA-N 416.474 0.598 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(F)c3)C2)C1 1831386469 GWSUPHSIBDHQMS-FOIQADDNSA-N 405.426 0.329 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1831419575 NIALHBWVINRKGX-PXNSSMCTSA-N 406.483 0.239 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832804521 IANIWMMHWWJMND-OAQYLSRUSA-N 420.510 0.782 30 20 HCED COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1 1832912357 DUIWRPQQLBINQY-FQEVSTJZSA-N 402.451 0.393 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833428630 GUVWZZGXVSOAHS-MRXNPFEDSA-N 400.523 0.662 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(O)n(C)n3)CC2)CC1 1833463577 QUALWZRHLIQGBF-HNNXBMFYSA-N 417.510 0.349 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1833523500 VXTRXXDGHUVWNS-SFHVURJKSA-N 410.496 0.591 30 20 HCED COc1cc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)ccn1 1834756016 INJHPDNBYRNEPO-FQEVSTJZSA-N 402.451 0.393 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1834770301 XKIJQZDZWOGDDF-IBMJZYDUSA-N 414.524 0.517 30 20 HCED COCC1(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)CC1 1835096263 XNBNSMMGVUVQHZ-QHCPKHFHSA-N 412.486 0.921 30 20 HCED COCCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835237469 IRTCASJNRDGTGM-NRFANRHFSA-N 417.462 0.430 30 20 HCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835352291 RTLUOCJVEGRMJA-UWJYYQICSA-N 415.494 0.752 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1835362715 STFCSJDNJMVTAW-WIYYLYMNSA-N 401.463 0.350 30 20 HCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)CCc3nc(N)n[nH]3)CC2)CC1 1835665558 ZNEUDQSLHJDYBP-UHFFFAOYSA-N 416.530 0.441 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)Cn3ccnn3)CC2)CC1 1835712813 FCSIOWYUCVODRP-SFHVURJKSA-N 418.542 0.423 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1837403153 OIABXVACMSXKBD-TWOQFEAHSA-N 412.552 0.912 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837672798 WDMFPYYQHROBBL-MGPUTAFESA-N 406.483 0.051 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839844792 VIPBSFHCGSMYKZ-CNNODRBYSA-N 422.570 0.291 30 20 HCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(C)C 1840161669 WZEFSYWJHRUAAF-QIIPPGSGSA-N 402.513 0.349 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840170195 POTMKQLDVSVDNX-JOCHJYFZSA-N 414.506 0.782 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840286230 LQUAFRAXIZGJCN-MRXNPFEDSA-N 424.828 0.784 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ncc(OC)cc2F)C1 1842271407 MOMRJTJUSODAGK-WAYWQWQTSA-N 402.426 0.905 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]1O3)C2 1845959847 MHQOZRNVMWLIFI-OWCLPIDISA-N 403.479 0.847 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1845960555 NKYUNWZOKISEIO-OAHLLOKOSA-N 403.479 0.849 30 20 HCED COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1846212290 TZRRZKYWTCAYCA-CQSZACIVSA-N 422.482 0.950 30 20 HCED CCS(=O)(=O)N1CCc2cc(C(=O)Cn3c(=O)c(C#N)cn(C)c3=O)ccc21 11264656 VYYJHAQECQSHPD-UHFFFAOYSA-N 402.432 0.014 30 20 HCED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 26209268 DJIWOCJDAUOCKB-ZDUSSCGKSA-N 414.325 0.893 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1 55621212 SVSHJFGZMUPFNK-UHFFFAOYSA-N 412.493 0.731 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C 409516350 WUYBVSYBNUAUNI-UONOGXRCSA-N 404.533 0.881 30 20 HCED CCC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)N1CCc2sccc2C1 410121713 XRYPIIQHZZFIST-CABCVRRESA-N 412.537 0.860 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)CCO1 410135180 PWUSQKTZCMUKSC-DZGCQCFKSA-N 423.413 0.795 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1 427026888 LKAWQBUPWIFPAC-UHFFFAOYSA-N 410.482 1.398 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1 428088062 ZWSHCCIDEXGTKX-CRYYWNKWSA-N 422.532 0.830 30 20 HCED COCCN(C(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@H]1CCS(=O)(=O)C1 428782285 KVWZCGSECPMWFQ-IRXDYDNUSA-N 422.507 0.068 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCc3nn[nH]c3C2)CC1 429288665 BSZSGKXSYIROQO-UHFFFAOYSA-N 408.422 0.631 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCc4nncn4C3)CC2)cc1 431671218 CDRZFWCTAWYYRO-HNNXBMFYSA-N 400.464 0.245 30 20 HCED CNS(=O)(=O)NC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 438996971 GJXPVUOQURVGHN-UHFFFAOYSA-N 417.495 0.201 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 440391555 LBWQUZBUEWAOOP-HNNXBMFYSA-N 412.471 0.583 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 441149280 PRRNESTYGGMWKU-ZWKOTPCHSA-N 410.478 0.734 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443322644 SZSFJBSYHQAGLU-UHFFFAOYSA-N 420.369 0.403 30 20 HCED C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@@H](C)O1 444509973 AUDMDWCWVQIJNN-HZPDHXFCSA-N 402.499 1.083 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)ccc1OCC(F)(F)F 471008200 AUODZPCZRKHIRO-YPMHNXCESA-N 414.340 0.587 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 473388964 OEVZDXQZMNTPSN-RTBURBONSA-N 410.474 0.899 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N[C@H](C)CC)c2)C1=O 478845684 WIDZQTKLOMRDMU-GFCCVEGCSA-N 422.463 0.679 30 20 HCED Cc1nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cs1 480931908 KLXSJEVZBHJIMX-UHFFFAOYSA-N 415.500 0.739 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 482813705 QTMXOZFTZYONOK-UHFFFAOYSA-N 408.480 0.824 30 20 HCED C[C@@H]1CO[C@@H](CO)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485229574 KBSYOZKYCLYWHW-HUUCEWRRSA-N 415.450 0.536 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 487129216 FQPMPTIWQYPRGL-STQMWFEESA-N 409.464 0.046 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(-n4ccnn4)c3)CC2)c1 490376423 HGOJDTSRILQNRB-UHFFFAOYSA-N 402.418 0.821 30 20 HCED Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)nn1CCC#N 504100856 QLTHEDCGZHJYCF-LBPRGKRZSA-N 404.452 0.510 30 20 HCED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1=O 505020650 LEDDVONAUXIJLT-CQSZACIVSA-N 410.434 0.974 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cccc(-n2cnnn2)c1 509244688 AQISBKNQNGEBBI-UHFFFAOYSA-N 416.423 0.750 30 20 HCED CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(F)(F)F 510372807 FFLGLMZSWJSJHK-LBPRGKRZSA-N 417.406 0.939 30 20 HCED CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1C 515326154 UPWQXLIEIUARFE-RBUKOAKNSA-N 411.506 0.968 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C#N)C3)CC2)cc1OC 517986158 YDVMAMYJDHLRSQ-HNNXBMFYSA-N 423.491 0.855 30 20 HCED CC[C@@H]1COCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522418752 GZKDISSBYUTZQE-QGZVFWFLSA-N 406.508 0.502 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 524281102 GOZDPBPNILDFOF-UHFFFAOYSA-N 422.869 0.215 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 531784363 DTZIKKUKXQPCIU-AWEZNQCLSA-N 401.442 0.791 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](N3CCNC3=O)C2)CC1 538349809 OHJFVEWCOIWQJA-IRXDYDNUSA-N 416.551 0.947 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 540267431 YVCFUTJKKIPUME-UHFFFAOYSA-N 417.514 0.461 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)CC1 541362794 MVPOXNCAXKDTPQ-HNNXBMFYSA-N 402.499 0.547 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 541734799 SXBHBSIWBRMDDA-UHFFFAOYSA-N 402.388 0.995 30 20 HCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(CC(N)=O)c2=O)c1 548289598 JEMPLSPNBAGURK-CQSZACIVSA-N 411.483 0.121 30 20 HCED C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549702618 SJYFSKVQNZFOCW-UHFFFAOYSA-N 408.470 0.560 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN([C@H](C(N)=O)c3ccccc3)CC1)CC2 550569698 ZOJCIZFLXLDBOH-FQEVSTJZSA-N 417.469 0.818 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 553671931 BTSXIFFQSVCPAQ-OAQYLSRUSA-N 414.550 0.813 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 554677271 NXAHSOLWEKIBHC-UHFFFAOYSA-N 401.875 0.817 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCn2c(O)nc3ccccc32)n1 555027426 WSRUVDLVJMCPBV-UHFFFAOYSA-N 416.401 0.949 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 556199637 RLMUPEBAWYJDRR-UHFFFAOYSA-N 424.505 0.596 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCCN2CCC[C@H]2CO)n1 558525847 GGFJJISNRZJNFS-HNNXBMFYSA-N 411.466 0.431 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(F)c2F)c1=O 561086936 NUSZGGDSONXIIR-UHFFFAOYSA-N 407.442 0.864 30 20 HCED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 571560833 HVXTZOXDTGOSKD-UHFFFAOYSA-N 413.522 0.871 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 572517810 JYWYOZZAIIUKKC-GUDVDZBRSA-N 409.490 0.328 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 574730541 XBGRVBGDZLVHOK-MSOLQXFVSA-N 406.508 0.596 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 579697123 YDPCRVUUHQDFFH-CQSZACIVSA-N 417.441 0.027 30 20 HCED Cc1ccc(CN(CCO)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 581271995 JQRHIINZDAZJHA-IBGZPJMESA-N 424.457 0.698 30 20 HCED Cc1c(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cccc1N1CCNC1=O 581702902 ZDLXPYIHPXPSQI-UHFFFAOYSA-N 424.465 0.731 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3cncn3)nc2)CC1 591888958 KFVXALQTCSBYKM-UHFFFAOYSA-N 423.458 0.681 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCN(C)CC3)CC2)cc1 603888518 ZIJRGBJMYLHBNH-UHFFFAOYSA-N 419.551 0.406 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c(C)c1 604270448 ZRNGFHOCUMTVEC-UHFFFAOYSA-N 424.526 0.397 30 20 HCED C[C@H](NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 609826498 ZYLZAABYRZWYPK-HNNXBMFYSA-N 421.523 0.960 30 20 HCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc(OC)c4c(c3)OCO4)c2=O)cn1 726180183 BRHJDPUKWBLRHZ-UHFFFAOYSA-N 421.438 0.879 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 731006681 RPCLUOXOUVHMQJ-UHFFFAOYSA-N 405.448 0.252 30 20 HCED N#CCOc1ccc(CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 732070061 CCSRDYPEURUXBS-LJQANCHMSA-N 400.479 0.918 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 732562865 LTZNANUBLIQCSK-UHFFFAOYSA-N 405.439 0.913 30 20 HCED COC(=O)[C@H]1CC12CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 733789013 WOCKVGYBWNUVDW-CQSZACIVSA-N 405.476 0.917 30 20 HCED C[C@H](COc1cccc(C#N)c1)OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 733860865 IMADYZLDSKGTRH-KBMXLJTQSA-N 406.460 0.904 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 735937327 HIRXYHKDLLUWOR-UHFFFAOYSA-N 401.419 0.994 30 20 HCED C[C@@H](CC(=O)Nc1cnn(CC(=O)N(C)C)c1)/N=C1/NS(=O)(=O)c2ccccc21 742620696 HWFYBKCLHSOURX-LBPRGKRZSA-N 418.479 0.427 30 20 HCED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 753383371 NWEUSGVGTRNZFD-UHFFFAOYSA-N 405.398 0.770 30 20 HCED COCCN(C(=O)CON=Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 754276915 UOWUQOBZNODIAL-OAHLLOKOSA-N 414.480 0.716 30 20 HCED COCCc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)n1 755548165 CJTOTLPIFCSIPG-TZMCWYRMSA-N 420.470 0.423 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(N(C)C)s3)nc2)CC1 755552967 MHYKUOILTCOSIJ-UHFFFAOYSA-N 409.541 0.986 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2cnn(C)c2)c1=O 758049515 FWGXHGRODDBSOW-YOEHRIQHSA-N 409.515 0.474 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)c(F)c2)c1=O 758050889 UAKLNSCJWZZQFA-CQSZACIVSA-N 413.474 0.645 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 758989312 ISOWNWKOSFZJAB-HNNXBMFYSA-N 406.280 0.819 30 20 HCED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NCCNc2ccc(C#N)cn2)n1 760204476 LBFPTAWYORLWAG-UHFFFAOYSA-N 405.422 0.713 30 20 HCED C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)C(=O)N1CCCCC1 762727077 PWNBESZSPQHKCO-SPLOXXLWSA-N 411.462 0.842 30 20 HCED C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(F)(F)F 762728648 KIYHOWAUIAVTAE-NSHDSACASA-N 404.414 0.820 30 20 HCED Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 766058788 IFEQGXQIDSLFMV-CQSZACIVSA-N 403.464 0.665 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O 768707662 TZINNMGYJPFYDI-BUXKBTBVSA-N 408.455 0.821 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC1 769636963 DJULSBWSMCSSQG-UHFFFAOYSA-N 403.501 0.917 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1 771074923 WCFCOIHQFCKNDI-UHFFFAOYSA-N 400.478 0.860 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1Br 790838856 KAMRRUMJYZDKGL-SNVBAGLBSA-N 415.269 0.916 30 20 HCED C[C@H](CC(=O)N[C@@H](CO)Cc1ccncc1)/N=C1/NS(=O)(=O)c2ccccc21 793943175 VSNCAXYSYOWZDQ-UKRRQHHQSA-N 402.476 0.619 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 798060153 ZGVPZCAMZNWEMZ-CJNGLKHVSA-N 411.480 0.904 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CCO1 800101582 XHVNAMYVQYUPEC-DGCLKSJQSA-N 403.844 0.203 30 20 HCED CN(C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nccs1 801192442 PEPMEIBOKYSZRH-UHFFFAOYSA-N 408.461 0.778 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cc(C#N)ccn2)C1=O 803848281 NQBMMCROOAANOV-HXUWFJFHSA-N 407.386 0.999 30 20 HCED C#CCNc1nc(N[C@@H]2CCC[C@@H]2C(=O)NC)nc(N[C@@H]2CCC[C@H]2C(=O)NC)n1 804586955 SVNZFSYNCVIXBH-LXTVHRRPSA-N 414.514 0.570 30 20 HCED COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC(=O)c1cccc(C#N)n1 810650169 LSXHHGDRRQKJPC-UHFFFAOYSA-N 402.432 0.759 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 810781713 AXVDFVMNNRGTEU-YCABEKBOSA-N 403.460 0.259 30 20 HCED C#CCN(C)c1cnc(-c2noc(CCc3nc4c(O)nc(=O)n(C)c4[nH]3)n2)cn1 813342236 GSJIBGXPQKLOKD-UHFFFAOYSA-N 407.394 0.057 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CC=C 814249291 LAWJZZRIGLSJFA-UHFFFAOYSA-N 405.430 0.363 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 814649820 DMKXANDDWFNMLX-AWEZNQCLSA-N 404.452 0.880 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCCN(O)C1=O 816755326 XXBSMANJJCVERE-QWHCGFSZSA-N 419.500 0.722 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1ccccc1Cl 915082837 SJEADSZFKOCCRL-UHFFFAOYSA-N 420.878 0.925 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 917272376 PEEAAMVEEDJXRP-ABAIWWIYSA-N 404.402 0.848 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 918938476 SVAKLMLFPCZNOM-GFCCVEGCSA-N 416.887 0.955 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919651084 ZKTQVCGSDRRINL-JSGCOSHPSA-N 422.459 0.858 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1C(=O)CCC1=O 996933848 FSUMSIYGYBOLSK-HYUNPYRHSA-N 403.479 0.755 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccccc1NS(C)(=O)=O 1116251062 QUPOEWBHZFREJD-AWEZNQCLSA-N 414.491 1.000 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)C1CCCC1 1211881443 RWMPSJPGXYOIRG-QGZVFWFLSA-N 414.553 0.986 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)F 1286969856 SFSCWZRIMAMYQY-MNOVXSKESA-N 404.443 0.157 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)C1 1316527977 RTGOHGSVDKGCSE-SFHVURJKSA-N 400.418 0.426 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)C1 1316533010 XUBOEFNVIVTMOO-SFHVURJKSA-N 419.486 0.741 30 20 HCED Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1CCO[C@H]1CCCCO1 1319522065 YXGZAYOOVKPMKT-VGVBMJIYSA-N 417.466 0.991 30 20 HCED CN1C(=O)NC2(CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)C1=O 1319628929 CBZQLUHQJXTHKW-UHFFFAOYSA-N 404.448 0.016 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)CCO1 1321229531 CLYKUNSVBYCGMJ-HNNXBMFYSA-N 418.475 0.464 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2)C1 1329998564 HDBJEUSYQVRTMG-HIFRSBDPSA-N 408.480 0.840 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1noc(C(F)(F)F)n1 1448635013 UXBXYSYDEUBFNQ-MRVPVSSYSA-N 403.342 0.943 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC12COC2 1455482762 LHPWRBWTMDFPNB-CJNGLKHVSA-N 421.475 0.263 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(C)cn2)CCOC1 1516232281 UPLNTEWSWOIZBA-APWZRJJASA-N 401.471 0.864 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1519164818 USBDGQXRPKGDJY-IAGOWNOFSA-N 417.514 0.854 30 20 HCED CC(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(C#N)c1 1561173423 JSDCYXHNXWDBNR-UHFFFAOYSA-N 410.315 0.927 30 20 HCED C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1611815081 PRPGIDAGEPMDCN-GFCCVEGCSA-N 400.414 0.234 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCO[C@H]1C 1614028852 RFJVWQZJZCSSBE-AVYPCKFXSA-N 412.498 0.757 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(n3cnc4ccccc4c3=O)CC2)CCO1 1657447104 NMQIZUFNPLVDSO-OAHLLOKOSA-N 403.464 0.503 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccs1 1723961257 WNWNRLVZYINLOE-RYUDHWBXSA-N 411.513 0.316 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740743411 VWHZFNXQXTVWOT-GHMZBOCLSA-N 411.260 0.779 30 20 HCED CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1741025381 QZIQZSFNRABSOL-HOTGVXAUSA-N 403.487 0.404 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1nc[nH]n1 1777774166 TYHWYYKWTGYRIF-KJRKUQRBSA-N 420.470 0.461 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3cc(C)ccn3c2=O)C1 1778690808 XIZATAHKEUMGLL-VGOFRKELSA-N 408.458 0.764 30 20 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30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1782055267 QUTXKDKHAQKWDY-OAQYLSRUSA-N 412.446 0.762 30 20 HCED CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)COC1 1782195070 VMCCMNWKOVOWRS-OAQYLSRUSA-N 409.446 0.915 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1782624730 JHBONXVBWIUNTL-FKRKTAEZSA-N 422.482 0.385 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(CC)[nH]n3)C[C@@H]21 1783531267 MABGCBFYNWLJTM-CRQUZRIGSA-N 415.494 0.424 30 20 HCED C[C@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1)Oc1ccccc1 1783565571 ODIBGHUKQPBCFB-IIBYNOLFSA-N 400.431 0.762 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)N(C)C)[C@H]2C1 1783676966 PXMGCYMPAWLONC-UGUYLWEFSA-N 411.503 0.038 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783926647 IOAGPDGOJGWZMX-PMACEKPBSA-N 412.483 0.415 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)C(=O)C1CC1 1784006072 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KPVPJPBNXYAVPM-OAQYLSRUSA-N 409.446 0.937 30 20 HCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)cnn2c1 1836946949 HMRQAPSCTXAIDF-HXUWFJFHSA-N 412.450 0.412 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCC3)CCO2 1836980965 WQWCVOHRHHGTRB-NRFANRHFSA-N 400.479 0.703 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837171322 JPGWIVKGKHURSJ-OAQYLSRUSA-N 411.462 0.603 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1837393709 ZQLDCUNMHTXNJQ-DYESRHJHSA-N 418.494 0.049 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837397585 QRDFANLXEGPGAX-PGRDOPGGSA-N 424.538 0.833 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837527575 QARFCRAIADJQJW-FLLPAOQRSA-N 408.455 0.276 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc(O)n3c1CCCC3)CCO2 1837762274 REPKZIZLBYIUHB-OAQYLSRUSA-N 416.478 0.408 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1C)CCO2 1838089202 VASLRTUCCWJUGT-OAQYLSRUSA-N 418.494 0.838 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CCC(O)CC4)C3)C2)c1 1838742172 VNZZIMJWNLEBSJ-MYKUNDNFSA-N 416.478 0.507 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839222610 SZMFHVYHFBOJHY-DYESRHJHSA-N 424.542 0.586 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1839227746 XMDDBBBHMLBHGM-OXQOHEQNSA-N 420.466 0.191 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571404 SAWRBMIHJLRNSH-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839705410 FXSHGHAZFMFGAH-CRAIPNDOSA-N 409.512 0.215 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1839842056 KAAZLKPGDSLAFN-NJCLPOECSA-N 405.539 0.995 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840160106 WZMGFUOPHJNDFN-CXAGYDPISA-N 412.537 0.343 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1840295358 KHAVREWYRAVPFE-LJQANCHMSA-N 414.524 0.071 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)cc1 1840532148 IVVCWDQCLKRODI-DENIHFKCSA-N 413.474 0.594 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1840843433 PWJVSNSLVXVWFG-NRFANRHFSA-N 417.462 0.582 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 1841055576 FLLWFUOEBSOOBD-PLNGDYQASA-N 414.418 0.976 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2c(C)nc3ncccn23)C1 1843748353 NMHAIHSYOYSVTJ-SREVYHEPSA-N 408.462 0.713 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(C)(C)C#N)[C@@H](O)C1 1847346329 IBTFGHIHSUFZBL-VGWMRTNUSA-N 420.510 0.966 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(NS(=O)(=O)c2cccs2)CC1 43610774 RVQJUTXZSDGUIV-LBPRGKRZSA-N 400.526 0.891 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 110021676 OECNUOKDHLGBCF-SFHVURJKSA-N 408.524 0.917 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)n2)c1 409687134 LMNCEWOPRYLQSY-QGZVFWFLSA-N 417.491 0.962 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 428269946 RUGZLZWAVSFRKC-UHFFFAOYSA-N 415.479 0.091 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCC(=O)NCCN3CCCCCC3)CC2)c1 432429363 FRFUAJCXUGYDLX-UHFFFAOYSA-N 413.526 0.777 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1=O 440254585 KXYVDHLRMMCLCG-MRXNPFEDSA-N 420.491 0.410 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443149285 VVDCTLFARUMTRN-UHFFFAOYSA-N 408.358 0.451 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)CCCC(=O)N2 446526759 NDJOBDUTARTHQG-UHFFFAOYSA-N 413.478 0.974 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H](CO)Cc2ccc(F)cc2)cn1 460713540 FTDDYQGMAXTKEB-MRXNPFEDSA-N 408.393 0.936 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 462667185 ZDQIFHALPUNSGH-UHFFFAOYSA-N 418.519 0.758 30 20 HCED C[C@]1(O)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 471075971 SEBSSIYYGWXNBN-FQEVSTJZSA-N 420.535 0.628 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 475166930 YIIJAFDTMKNLFI-UHFFFAOYSA-N 408.480 0.845 30 20 HCED COc1ccc(C#N)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 476748875 RXPFBXKGYWOCFL-LLVKDONJSA-N 402.432 0.971 30 20 HCED CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(O)(CC#N)C1 476818764 JFLCZMGFSFZYOA-AWEZNQCLSA-N 413.883 0.360 30 20 HCED C=CCN(CCOC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 478774576 SQDXLODBNSPIDR-UHFFFAOYSA-N 411.528 0.377 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 479093086 FWGSQICCZQQMPK-UHFFFAOYSA-N 407.430 0.956 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)o1 480935756 NDUSJOBKCSFLHN-UHFFFAOYSA-N 410.455 0.883 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1ccc(F)cc1 483113424 JRDLDLNBRBJWRH-CZUORRHYSA-N 421.450 0.920 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)cn1C 484834134 WTQLPPUDOGERGO-UHFFFAOYSA-N 402.480 0.545 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 487686870 UPNQBWVMPABGNP-KRWDZBQOSA-N 421.475 0.359 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488661658 AMAIZGMSPSHTMZ-SFHVURJKSA-N 419.441 0.774 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 495318730 DOYHMUHKRDCVEB-UHFFFAOYSA-N 408.418 0.348 30 20 HCED O=S1(=O)C[C@H](O)[C@@H](N2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)C1 498974897 PRXZRRAIZKVWSU-IRXDYDNUSA-N 418.437 0.712 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 499828581 AIVXQSHHOIHSNH-HRCADAONSA-N 401.463 0.323 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)cc1 504866205 WFYPILJBLIFMHC-UHFFFAOYSA-N 408.414 0.952 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2c(C)cnn2C)c1=O 505662883 PWTTYUUKKAHRPM-ZDUSSCGKSA-N 418.544 0.423 30 20 HCED CCN1CCN(CC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)C(=O)C1=O 508019931 ZIWYPWZZSQQLEJ-CYBMUJFWSA-N 404.423 0.084 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC(C)(C)C#N 510665392 HMXQHSIUMXLSRO-UHFFFAOYSA-N 424.479 0.321 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 511325091 KLHOVWWCRBPARF-WCQYABFASA-N 416.481 0.853 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCO[C@@H](C#N)C1 517307585 RKAUTWVAZRFUJJ-KSSFIOAISA-N 423.491 0.902 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2CCS(=O)(=O)c2ccc(C#N)cn2)cn1 521106480 DLGZAVCUNBWVDP-MRXNPFEDSA-N 423.520 0.415 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1S(=O)(=O)NCC#N 522717741 OHBQGRMVCCPFPX-HNNXBMFYSA-N 416.463 0.066 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@](C)(O)COC)nnc12 530878277 WFUUQKZLMOHMHM-LJQANCHMSA-N 417.491 0.836 30 20 HCED CN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 533348060 MJHXGYMQGOAFKA-UHFFFAOYSA-N 422.507 0.526 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 538529089 QNPMEPNEIWEKCU-UHFFFAOYSA-N 401.510 0.442 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 539268512 SZHWJLWRYJOQMB-LBPRGKRZSA-N 411.480 0.375 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(CN3CCN(C)CC3)CC2)CC1 553669004 FCCZTIPAYRXQCI-UHFFFAOYSA-N 405.587 0.629 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC[C@H](C(N)=O)C3)n2)c(Cl)c1 554668325 WZOBQRDYMCPMDH-STQMWFEESA-N 414.853 1.496 30 20 HCED CCOC(=O)[C@@]1(COC)CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 562913104 VYAWGGALYBZYQT-IBGZPJMESA-N 423.491 0.655 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)CC2)c1C#N 569371186 WAPPSGZROBFLOO-DJIMGWMZSA-N 400.483 0.323 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 570650440 QGFSAFNVPCOZQF-UHFFFAOYSA-N 407.478 0.245 30 20 HCED COc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cccc1C(N)=O 580670932 JLUJPLCMOKOZHU-NSHDSACASA-N 402.432 0.971 30 20 HCED Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)o1 585695045 UNDXBCISSPAXRL-QGZVFWFLSA-N 403.483 0.182 30 20 HCED CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NC1CCN(CC#N)CC1 588128776 KCOQJRDFXOTUAH-HNNXBMFYSA-N 406.508 0.459 30 20 HCED COC(=O)C[C@@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 588214487 HDVKNEPDODUODI-CVEARBPZSA-N 406.508 0.721 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2)c(=O)n1CC=C 603791835 PMPMDXPSHIVAQL-UHFFFAOYSA-N 411.483 0.918 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)CC(=O)N(CCC#N)c1ccccc1 603823825 BUWTUBLVJLSZKA-INIZCTEOSA-N 406.508 0.558 30 20 HCED CN1CCN(C(=O)CCNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 606034465 IMFPCDDWUISJMU-UHFFFAOYSA-N 419.485 0.700 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 609338013 NDTRTURCBNMXPY-UHFFFAOYSA-N 406.512 0.154 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)C1=O 726043470 OBLIDSAZTOBVAJ-NWDGAFQWSA-N 405.382 0.911 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 728530840 VUDLPPRXTNXUFF-UHFFFAOYSA-N 417.531 0.910 30 20 HCED N#CCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 731809612 NFNZQOXPTFTFTB-UHFFFAOYSA-N 410.415 0.930 30 20 HCED O=C1CCCN1C[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 732023778 UGURAFGDVHQLRX-CQSZACIVSA-N 404.492 0.729 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(CC#N)CC2)ccc1Br 740713346 LBKNJUCZNIFKLP-UHFFFAOYSA-N 415.313 0.981 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 742068528 TVIMPBAZHHKPBQ-OAQYLSRUSA-N 416.497 0.483 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 743635324 BNZHELBWWIJCOP-GOSISDBHSA-N 412.490 0.837 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 743878907 RIIHREUSXUCHTH-UHFFFAOYSA-N 419.434 0.783 30 20 HCED C#CCN1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CC1 745372388 LDXMMVWOMWQAIR-UHFFFAOYSA-N 404.536 0.906 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 746993320 RTHWEMKMRWMIDF-SECBINFHSA-N 401.379 0.389 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748378336 DOBFOVLLECAPLA-LLVKDONJSA-N 407.383 0.338 30 20 HCED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748737809 HZDOKBYYSWSHIE-CYBMUJFWSA-N 410.521 0.493 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CCS(=O)(=O)C2)c1 749503762 GKKLLGJTTCPQNG-QGZVFWFLSA-N 404.488 0.685 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 757596123 UUWCXZOHAUZDRF-MNOVXSKESA-N 400.482 0.884 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2csc(C)n2)c1=O 758071845 OXSCLJAOOBYZNY-UHFFFAOYSA-N 416.553 0.386 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2nn(CC)c3ccccc23)c1=O 769886484 PGDOUGKXCMZSBS-UHFFFAOYSA-N 419.510 0.942 30 20 HCED COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC(F)F 771889796 KUEROETZIIQXPD-UHFFFAOYSA-N 418.378 0.006 30 20 HCED C=CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 772721618 VHXWTFVBXIDPJS-UHFFFAOYSA-N 411.299 0.945 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)cc1 773474057 VWEFFVDFYQZQDM-UHFFFAOYSA-N 416.507 0.802 30 20 HCED C[C@H](CC(=O)NCc1ccnc(N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 775803151 KKPQYFRDCGMCLK-GFCCVEGCSA-N 402.480 0.676 30 20 HCED N#Cc1ccc(N2CCC[C@@H](OC(=O)c3ccc(S(N)(=O)=O)nc3)C2=O)cc1 778840072 AODKTRAUWOEJKP-OAHLLOKOSA-N 400.416 0.953 30 20 HCED CNC(=O)COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)cc1OC 779313287 NGURWEQBQWITOV-UHFFFAOYSA-N 409.464 0.964 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1C#N 783331671 XVJPXCYTGPWJOF-UHFFFAOYSA-N 417.422 0.382 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 783617078 YANMQWVOSFYVPI-UHFFFAOYSA-N 417.328 0.489 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCOC2)cc1 785150996 LDYWUMJHGCOQKY-AEWZPABSSA-N 422.507 0.981 30 20 HCED N#C[C@H](C(=O)NCc1ccc(F)cc1F)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 786563271 TXSBOIMUJWGBOD-AWEZNQCLSA-N 420.397 0.787 30 20 HCED C[C@H](O)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789782267 LEUUJGQVTUSPOB-JPDJOPTESA-N 410.496 0.715 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2CCN(S(N)(=O)=O)CC2)C1=O 793985479 BSKZHZZIPFICPV-KRWDZBQOSA-N 417.532 0.604 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(F)(F)F)nc1C)[C@@H]1CCS(=O)(=O)C1 802570346 PLQNCCHYWPHQPX-LLVKDONJSA-N 403.382 0.996 30 20 HCED COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2ccn(-c3cccc(C#N)c3)n2)nn1 811181609 KXNHBQJOQAQZGR-IAGOWNOFSA-N 408.374 0.919 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 816099655 YZPQMTBVLHQSKY-STQMWFEESA-N 401.485 0.455 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2cnn(C)c2)c1=O 837284697 HOXSHXTYRPWSIJ-UHFFFAOYSA-N 415.519 0.264 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@@H]2CCCO2)CC1 913404244 QONGJSUSBLNANQ-HNNXBMFYSA-N 406.508 0.438 30 20 HCED Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2NC(=O)c2ccc(C#N)[nH]2)cn1 982371942 NZTFRUUORKFYDQ-XDKCKUNGSA-N 420.473 0.768 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS(=O)(=O)C[C@@H]3C3CCC3)CC2)o1 1195224006 JSUGXPUSCOTBIJ-QGZVFWFLSA-N 421.523 0.402 30 20 HCED CCc1nn(C)c(OC)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1292778597 VZVJAJZPAUYYAW-IUODEOHRSA-N 414.470 0.311 30 20 HCED 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SDRGKYSKYLZXGT-DTWKUNHWSA-N 419.429 0.766 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)C1 1829666715 KMWLBPBINYJGRP-FQEVSTJZSA-N 403.435 0.529 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4ncccn4n3)C2)C1 1830057660 KCURJSQILGQKDX-FQEVSTJZSA-N 412.450 0.349 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1830528982 CZCLKCPJGYUTJX-UWJYYQICSA-N 417.462 0.164 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1831224850 NCUPLXJMXNYPST-NRFANRHFSA-N 400.479 0.533 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3Cl)C2)C1 1831396855 RUNLKDPDRNAIPA-YWZLYKJASA-N 421.881 0.843 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1831435031 JFXABCVTPMDUIE-UTKZUKDTSA-N 424.494 0.543 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(=O)C(F)(F)F)CC1 1831900233 NVFYWRPTFPUHIE-CYBMUJFWSA-N 417.384 0.373 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)cn1 1831960035 UFWPIIXLFHDDIF-NRFANRHFSA-N 414.462 0.854 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832121955 BJGJRBHCSXKVME-DDEKRLEKSA-N 413.446 0.330 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)[C@H]4CCC(=O)NC4)CC3)CC2)CCC1 1833123051 ICJHCVAIBFJMRN-INIZCTEOSA-N 415.538 0.778 30 20 HCED C=CCC(CC=C)C(=O)NC1CCN(C2CCN(C(=O)CNC(=N)N)CC2)CC1 1833289484 SUPPBKLFZTZGQI-UHFFFAOYSA-N 404.559 0.809 30 20 HCED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 1834634021 GXEXTFLSOOKUNB-UHFFFAOYSA-N 411.506 0.832 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC(F)F)cn3)C2)C1 1834756063 LFOGKRNOHJISSO-SFHVURJKSA-N 410.377 0.667 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ccccn45)C3)C2)CC1 1835341805 INZWLQBINRGWRG-NRFANRHFSA-N 409.446 0.708 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1835364170 LNPLZNIDWGHJRP-FQEVSTJZSA-N 400.435 0.159 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1835901032 BOYXZEFSFBGRHH-DENIHFKCSA-N 414.506 0.555 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836168921 QULRIJKWDRHGFF-CQSZACIVSA-N 414.510 0.583 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)ON=C(C)C)C3)C2)n[nH]1 1836280906 LRINDHLOHXBKHJ-QRWLVFNGSA-N 421.498 0.843 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=S)NC)CCO2 1837468008 VTODJWKAUPJROT-FQEVSTJZSA-N 424.567 0.120 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648479 KTDPCOXUXIFVLU-RXVVDRJESA-N 417.510 0.564 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839335616 BJAKNWHNUSKGGH-OAQYLSRUSA-N 409.446 0.856 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839418914 AVMOFBVLXTVYLR-YLJYHZDGSA-N 405.426 0.538 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1840131615 KBYQCJLSEBXSHL-KNBMTAEXSA-N 411.499 0.859 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)cc1 1840538511 JTAPRXIBGYHOMI-SIKLNZKXSA-N 413.474 0.859 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840842541 NOOUAWDFEOBJTG-LFQSBUTJSA-N 407.467 0.385 30 20 HCED O=C(O)c1cnncc1C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259517 ZEQGYMVOWAWTTN-SSDVNMTOSA-N 400.439 0.464 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C1CC1 1846194547 PVQOBKWTPYAEGL-HNNXBMFYSA-N 419.478 0.971 30 20 HCED N#CC1(C(=O)N2CCCC23CN(C(=O)Cc2cn4c(nc2=O)SCC4)C3)CCC1 1846975745 MIDRNRJSFDXDSD-UHFFFAOYSA-N 413.503 0.789 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CS(=O)(=O)N1CCCC1 1847809151 IVBXHZAZMSOFFM-IRXDYDNUSA-N 413.540 0.597 30 20 HCED CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14258645 QJJKRHOPTGZFPQ-HNNXBMFYSA-N 421.523 0.735 30 20 HCED C[C@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1cccc(C#N)c1 16161919 NNQCPAIBHONNMS-LBPRGKRZSA-N 424.417 0.266 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c1=O 26158683 QAKRRMMONMRSGE-UHFFFAOYSA-N 414.374 0.113 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 28854788 VQZCVXQMFBVYFI-UHFFFAOYSA-N 424.262 0.827 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 52442427 SIVMTKHWOWRAGV-NVXWUHKLSA-N 405.524 0.499 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3cnn(CC#N)c3)CC2)c1 139278209 AGWANYIFQURYCC-UHFFFAOYSA-N 402.480 0.806 30 20 HCED CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)N(CCC#N)CCOC)cc1 409571788 RSWILIMXFWGTPB-CYBMUJFWSA-N 404.514 0.352 30 20 HCED CNC(=O)[C@@]1(C)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 431230824 RTAHZJGNJJMHNH-FQEVSTJZSA-N 418.519 0.944 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)(C)C#N 433293951 IYXWEVUCUNKXIE-UHFFFAOYSA-N 423.495 0.909 30 20 HCED COC[C@@](C)(C#N)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 433960372 DNYBYKASVHLLTG-GOSISDBHSA-N 411.480 0.951 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC3(N4CCOCC4)CC3)n2)c(F)c1 434593957 FGMRFQBDKIJGDX-UHFFFAOYSA-N 412.425 0.803 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCC(=O)N3)CC2)cc1 434856380 SFECIPMIRPZLNE-HNNXBMFYSA-N 405.480 0.243 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)s2)c1 435426143 GQMHGSPEJQWWGZ-UHFFFAOYSA-N 414.490 0.445 30 20 HCED C=CCOC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)OC 435945812 WDVRZCKBKHWXMT-LBPRGKRZSA-N 418.493 0.243 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CC)C(=O)N2CCOCC2)cc1 438740197 UYMQIPRPTCFKER-INIZCTEOSA-N 417.466 0.686 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)N(CCC#N)CCCN(C)C)c2ccccc2O1 438742830 FZGSVWLSVBINAZ-KRWDZBQOSA-N 401.467 0.221 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)C1=O 441579197 ZVNZOAFLXMJIMB-SNVBAGLBSA-N 416.398 0.035 30 20 HCED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cc(C#N)ccc1OC 442313546 WRRPKSMTFIOCSL-RRCSTGOVSA-N 415.402 0.457 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)nn1 462090365 PSDYTEGXGGJISO-AWEZNQCLSA-N 407.394 0.996 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 470247267 MIRMGNUHBKBQQU-RDJZCZTQSA-N 420.491 0.108 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 485557047 BQUMHZCRGQKHCA-XOKHGSTOSA-N 411.480 0.162 30 20 HCED N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccc4nc(O)nc(O)c4c3)CC2)c1 486073910 FCNKUHCGNRZXHH-UHFFFAOYSA-N 412.431 0.819 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CSCC(=O)N3CCOCC3)C2=O)cc1 489223631 UITXKXWRUOEQAY-QGZVFWFLSA-N 416.503 0.367 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3ccccc3=O)CC2)cc1 497991489 YEBWULHAAXBFKT-UHFFFAOYSA-N 414.487 0.937 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NCc2ccco2)n(C2CC2)c1=O 505698930 DXOCIFJKVFWMSL-UHFFFAOYSA-N 409.471 0.699 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)nc1 507144026 ITSNKIMBJCUKKX-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 508940857 FUXZAVDEPKILPA-UHFFFAOYSA-N 413.413 0.505 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1 511657912 HIWOQFNIQYMBPX-JLJPHGGASA-N 423.491 0.700 30 20 HCED CCC[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 512243257 JVKNLRZKWHWDDS-HXUWFJFHSA-N 420.535 0.940 30 20 HCED N#Cc1ccccc1OCC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 518890589 PZIWHLKYYQWDAK-GOSISDBHSA-N 421.519 0.675 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@@H]3c3ccccc3)CC2)o1 533526138 RCSCWYGJCLZMBA-IBGZPJMESA-N 408.462 0.676 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 537806806 BYYUFGURRQAAOI-INIZCTEOSA-N 413.521 0.918 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Nc2cc(C)n(CCC#N)n2)c1 539718370 LSPRTSLODIKCTR-UHFFFAOYSA-N 419.467 0.774 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 547319172 NAFLQBGHNOEMQX-AWEZNQCLSA-N 403.468 0.993 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 551409738 JAOKMZCUFOPMSE-OAHLLOKOSA-N 423.495 0.425 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)C1=O 553558295 UBIONYZAVKAEQA-INIZCTEOSA-N 415.537 0.782 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 560206904 LKRPWCIXDSZQAM-UHFFFAOYSA-N 416.406 0.592 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 565921883 FVDLLFLPIKXKSU-OCCSQVGLSA-N 405.398 0.856 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C 568112606 CJCGUILNLSVOGR-AWEZNQCLSA-N 423.495 0.282 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)S1(=O)=O 577991061 NXYVYNQUHAOGSI-OLZOCXBDSA-N 416.463 0.502 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)c2ccccc2)n1 582696937 UWBUNUYWTGEMRO-UHFFFAOYSA-N 403.402 0.624 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 583112918 LVUZPFISPNUVTP-UHFFFAOYSA-N 400.416 0.829 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1cccc(C#N)c1 587716384 HEDNHMZWWMLOFT-CQSZACIVSA-N 418.461 0.761 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1cccc(C#N)c1 587739789 FHFWNVBGDRCFKZ-CQSZACIVSA-N 406.446 0.578 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1CC 592994011 SVRYOJXFFWUMHY-UHFFFAOYSA-N 424.461 0.455 30 20 HCED Cc1ccc(C(=O)NCCC(=O)Nc2cccnc2)cc1S(=O)(=O)NCC#N 609413427 QHUJAFSDYPFNKZ-UHFFFAOYSA-N 401.448 0.951 30 20 HCED C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 609420710 JSSMMECOABKDFX-HKUYNNGSSA-N 404.559 0.996 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 674194129 QBMXMYVUGINUFI-UHFFFAOYSA-N 402.451 0.233 30 20 HCED N#C[C@@H](C(=O)CCCNC(=O)OCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 732910575 RUBOWZGQVVEGGQ-INIZCTEOSA-N 421.475 0.659 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccco2)CC1 733149268 CRRLXKSTCBSWSS-INIZCTEOSA-N 420.535 0.415 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@@H](C)CS(C)(=O)=O)C1=O 733200677 HIHJCRTURGDEBH-POUSTFRKSA-N 412.537 0.493 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC3(C2)OCCO3)CC1 741779374 PIXXAYXKOAUTRQ-UHFFFAOYSA-N 413.434 0.904 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 742289984 CTRVLCKZTYZMDZ-AWEZNQCLSA-N 412.487 0.545 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 748814919 JBMGZXGFKAIFBL-UHFFFAOYSA-N 414.506 0.239 30 20 HCED Cn1nc(C(=O)N2CCN(CCOC(=O)c3ccc(C#N)s3)CC2)ccc1=O 750699706 VZWLEWLHUQLMMO-UHFFFAOYSA-N 401.448 0.328 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 751878445 JXSRKZAIDHNJOZ-NRFANRHFSA-N 406.527 0.917 30 20 HCED COc1ccc(-n2cc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)nn2)cc1 756022300 FVRZABOOYIWXBE-ISLYRVAYSA-N 411.422 0.602 30 20 HCED Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(NC(=O)CC#N)cc1)c(=O)n2C 757693495 QYNXJLYQLDBSRJ-UHFFFAOYSA-N 424.417 0.533 30 20 HCED COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN3CCN(CCC#N)CC3)C2=O)c1 760943048 HCSZNWCERWBTHP-FQEVSTJZSA-N 414.466 0.025 30 20 HCED N#Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)[nH]c1C#N 761108156 MMLNMNNXKZHWBJ-UHFFFAOYSA-N 404.383 0.565 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)s2)c1=O 763300372 LLGQHPTUCSHRJO-UHFFFAOYSA-N 405.501 0.408 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)NCc1ccco1 764584444 GXHJSTGDSZTZKH-CYBMUJFWSA-N 404.448 0.593 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nnc(S)n1C1CC1 765470646 VDQFNNKGRUMYRS-LLVKDONJSA-N 420.520 0.799 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCNC(=O)[C@@H]1c1ccccc1F)c1cc[nH]n1 772548405 NEWZDZFJVHMFHC-KRWDZBQOSA-N 417.397 0.532 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780593638 VRUOYJIKAJGFNX-HRAATJIYSA-N 404.511 0.527 30 20 HCED CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCc1cc(O)n2ncc(C#N)c2n1 783023079 FQMSGQIFXHIXQU-AWEZNQCLSA-N 407.452 0.944 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 783461626 CKPFNCNUWNTIMJ-UHFFFAOYSA-N 406.398 0.717 30 20 HCED Cn1cc(/C=C/C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 787060691 TWHMAIJOFJZNSJ-SBJJXXPASA-N 411.374 0.031 30 20 HCED C[C@H](C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cnc(C#N)n1 798816615 NMLFIQKCMJHAOD-CJNGLKHVSA-N 422.405 0.677 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cc1 804049025 AXYMGTFZAZUGNI-YLJYHZDGSA-N 412.490 0.907 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CC1 804890654 VDIIMRWZOQJXHU-UHFFFAOYSA-N 411.428 0.914 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808239812 MVWPPHDAGCMCEX-AWEZNQCLSA-N 405.252 0.800 30 20 HCED CCCN1C(=O)C(=NN/C=C2\C(=O)NC(=S)N(CCOC)C2=O)c2ccccc21 814320391 OTPWRSRSGQEUHF-FJJQERDSSA-N 415.475 0.511 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 815774794 LOSKBUJHCPGVQZ-UHFFFAOYSA-N 418.469 0.885 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 815860662 VPCJPWHPNYVJMO-UHFFFAOYSA-N 400.888 0.721 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(O)CC2)cc1 918299792 XPBWNLCNVJFSAV-SILNSSARSA-N 408.480 0.421 30 20 HCED 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CN(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1503613643 OEBYSTYMGCFBHB-ZDUSSCGKSA-N 415.420 0.623 30 20 HCED C[C@H](CC(=O)NC1(CCO)CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1556070031 ISVIBPNQJSCQSA-CQSZACIVSA-N 408.524 0.467 30 20 HCED N#Cc1cn(CCC(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c(=O)nc1O 1629008035 OTNUPUFTUFFXMF-KRWDZBQOSA-N 415.425 0.539 30 20 HCED N#C[C@H]1CN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCN1C1CC1 1643615060 XICVUJABSQXVCO-XJKSGUPXSA-N 403.870 0.513 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CC[C@@H](O)C2)C1 1644461964 NGNUOYDFDOVHLA-WBVHZDCISA-N 420.535 0.561 30 20 HCED Cn1c(=O)[nH]c(N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c1=O 1651123608 MMJFOAVPJUFANE-ZDUSSCGKSA-N 404.471 0.077 30 20 HCED CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)N2CC[C@](O)(CC#N)C2)cc1 1674854251 QGPYGWQGDNRHQW-OAHLLOKOSA-N 400.482 0.985 30 20 HCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1708152684 QRVSWXBSVDKAAS-CQSZACIVSA-N 411.466 0.484 30 20 HCED 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1812880202 ZHVFIQKMAHEHNT-HNAYVOBHSA-N 418.413 0.532 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@@H]1c1cccnc1 1812880437 KHCNLIRPFHGUQS-QRGYAABQSA-N 410.430 0.010 30 20 HCED C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)n[nH]1 1814797478 FUZCDQUBLDBBRU-ZIAGYGMSSA-N 405.455 0.921 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]c3[N+](=O)[O-])sc2C1 1817205166 FBWOYYWJHZIOQT-ZETCQYMHSA-N 404.364 0.088 30 20 HCED COCCn1ccc(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)n1 1818261686 DBCHEOIJZVVOBF-HNNXBMFYSA-N 414.422 0.647 30 20 HCED O=C(C#CC1CC1)N[C@H]1CCc2nc(NC(=O)[C@@H](O)N3CCOCC3)sc2C1 1819876302 FOKIDFXWDXXUGG-SCLBCKFNSA-N 404.492 0.119 30 20 HCED C=CC[C@@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028023 CVVBADHAHKQGQM-WBVHZDCISA-N 407.515 0.901 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)COCCO)sc2C1 1822991723 KKJTWFYULXOZJP-LBPRGKRZSA-N 411.480 0.573 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccnc4OC)C3)C2)C1 1829665299 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IPJZTZPCNYHZNK-NRFANRHFSA-N 415.446 0.775 30 20 HCED COc1ccccc1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346919 ZNHWVNNUDQVRRH-QFIPXVFZSA-N 413.474 0.998 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)CN)CCO3)c1 1835529484 WRWFHQRUKBLYNT-BTYIYWSLSA-N 416.478 0.232 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CN)c1ccccc1)CCO2 1835823545 UIAYNRMNZXENNG-OFNKIYASSA-N 413.518 0.989 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1837402566 ICGGJCRXNVIZKZ-HRAATJIYSA-N 420.510 0.372 30 20 HCED CO/C=C(\C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837490670 KRFDJPIJHUUZHN-OVWUPXBPSA-N 420.506 0.692 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838109162 CTIHUMWPZVJNHS-UGSOOPFHSA-N 410.427 0.251 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)cn4)C3)C2)c1 1838734867 NTEFVWYWAYVPKU-HXUWFJFHSA-N 411.418 0.371 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nn1 1838832030 CEPDFRMKBBJJKH-FZKQIMNGSA-N 410.496 0.264 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1839175875 JLOJNEQDTWFQDZ-LJQANCHMSA-N 412.458 0.844 30 20 HCED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839187871 CLANPGYVRLNPTE-VLIAUNLRSA-N 405.426 0.077 30 20 HCED Cn1nccc1C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362486 WKGUPDABNGTSSO-JOCHJYFZSA-N 423.473 0.870 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)cc3F)C2)C1 1839808272 ORZJJZUDIGNEFO-NRFANRHFSA-N 404.438 0.857 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839843127 RDRHXBRLYUHDBJ-MGPUTAFESA-N 404.467 0.767 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C4CC4)cc3)C2)C1 1840043700 PBDODJRMFJUXMD-JOCHJYFZSA-N 412.442 0.722 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840159152 XHTJWQQTOZQVQC-KXBFYZLASA-N 413.540 0.164 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1840295444 PAHSPETVWUHLDP-YLJYHZDGSA-N 403.483 0.489 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3nc[nH]n3)C2)C1 1840295590 WQAAYKZBAZVBCN-IBGZPJMESA-N 421.523 0.547 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](C)N2CCN(C)CC2)C1 1845099549 BJERSEQTZOGYLM-KRWDZBQOSA-N 406.527 0.335 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC(=O)NC1=O)c1ccccc1 1848067145 CYVSKZIXNRKRRN-QYZOEREBSA-N 422.485 0.937 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)/N=c2/[nH]c(CN3CCOCC3)cs2)cc1 21129599 MGVLJQRCQXIVTE-UHFFFAOYSA-N 420.516 0.561 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)Cc1cnn(C)c1 26874958 FOXSYOYKRCFODH-UHFFFAOYSA-N 416.507 0.257 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 42726592 YMIWRONWUMDXNE-UHFFFAOYSA-N 410.430 0.977 30 20 HCED N#Cc1c(CCCNC(=O)CN2CCS(=O)(=O)CC2)nn(-c2ccccc2)c1N 52463844 VZLWTDYAGKQWQI-UHFFFAOYSA-N 416.507 0.105 30 20 HCED C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 57237892 CMWKICAVLIEIMR-CQSZACIVSA-N 416.521 0.761 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)C1=O 410114351 DOQPBCHZOGUKIY-KRWDZBQOSA-N 409.508 0.999 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 430237347 DWBKRFUVYVRYFF-UONOGXRCSA-N 422.507 0.544 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(-c2cnn(C)c2)nn1 433664179 MYLCMHQNFWETRN-CYBMUJFWSA-N 404.438 1.281 30 20 HCED COCCCN(CCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 438523690 OAIDVCRDVVYXPW-UHFFFAOYSA-N 409.508 0.816 30 20 HCED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 438944530 DOSBBFZGUMSNLJ-QHSBEEBCSA-N 423.403 0.580 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(CO)CCOCC3)CC2)cc1 439617708 WLBDZYDFDMFCSI-UHFFFAOYSA-N 421.519 0.864 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 443268117 VUAHEVPZPYGWMT-MHZLTWQESA-N 405.867 1.363 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(CCC#N)n1)C(=O)Nc1cccc(N2CCCC2)c1 444507030 JTTSTILOVPMRKD-OAHLLOKOSA-N 423.477 1.479 30 20 HCED CS(=O)(=O)[C@H]1CCCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 447370168 ZXTLPOVHVDVDEF-HNNXBMFYSA-N 416.463 0.503 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccncc2)CC1 479899378 HNGNZWIGKQTZBR-INIZCTEOSA-N 413.503 0.964 30 20 HCED Cn1c(CC#N)nnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 480836927 CIZSEPIJSWNXQT-UHFFFAOYSA-N 424.464 0.961 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccccn2)c1=O 488973304 FSRUDHRKGIFMHB-CYBMUJFWSA-N 401.513 0.776 30 20 HCED CN(C)CCn1nnnc1SCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 502871030 MVLORDRNRXCUGO-CQSZACIVSA-N 420.568 0.797 30 20 HCED C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 505588347 WRBSUTWPMUICFB-UHFFFAOYSA-N 414.506 0.747 30 20 HCED C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 506040836 FAORTXYQYALMOQ-DOTOQJQBSA-N 406.508 0.094 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)C(F)(F)F 510447775 YQUJKWLUJRBQQK-LLVKDONJSA-N 403.379 0.798 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1C#N 511696721 QYTHJCGGOMLAKB-CYBMUJFWSA-N 408.480 0.682 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 512367002 GFQGSEXCDZELAG-CABCVRRESA-N 423.481 0.497 30 20 HCED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 525351671 QZWHKUMXOBGODL-UHFFFAOYSA-N 415.418 0.891 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cnnc3O)CC2)cc1 537715481 KOKINIZFYKJQNR-UHFFFAOYSA-N 404.452 0.653 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 538597717 HXUIMTMJLIZBJU-UHFFFAOYSA-N 424.479 0.722 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 540368060 KYHMZUJBHNZNBH-GOSISDBHSA-N 416.522 0.633 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)n1 543931337 RSTZHNMDBJAJMR-TZMCWYRMSA-N 416.825 0.485 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)c1 550016511 APHNTCRWUZQCFL-HXUWFJFHSA-N 418.501 0.993 30 20 HCED Cn1cc(C(=O)NCC2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)cn1 550153639 BSKZCCBOSNWPNF-UHFFFAOYSA-N 420.473 0.849 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OCCOC)nn2)cc1 556993697 FOFIOVLOSGYLNS-UHFFFAOYSA-N 406.464 0.896 30 20 HCED CC1CCN([C@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(C)C)CC1 559749081 KHHYQQDQVMBTLO-GOSISDBHSA-N 417.558 1.127 30 20 HCED CN(C)CCOc1ccccc1N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 577643307 QQHACQRELRNOIR-UHFFFAOYSA-N 412.498 0.622 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 580474703 JNGYTOIDGLWGNW-NZSAHSFTSA-N 400.479 0.533 30 20 HCED Cc1nc([C@H]2CCCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)n[nH]1 587646783 BRCABWMORPEFFF-INIZCTEOSA-N 422.493 0.871 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)C2=O)cc1 588868412 LQXXJJNYZFNINT-PKOBYXMFSA-N 422.441 0.968 30 20 HCED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccn1 590273035 VVSPVVPPXPQIPH-HNNXBMFYSA-N 408.418 0.668 30 20 HCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CC3)c2=O)cs1 590998438 WHAMOIBRIYWWRS-UHFFFAOYSA-N 402.501 0.372 30 20 HCED CCOC(=O)[C@@H]1CSCCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 603446270 RZYOXMDDTBVOSA-HNNXBMFYSA-N 411.505 0.686 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cnc21 608969663 GTNPCRXCIIVWHS-UHFFFAOYSA-N 405.418 0.700 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc3ccccc3n1CC#N)C2 615811466 DJNBUQQSROXQEF-UHFFFAOYSA-N 407.434 0.267 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 618881075 UGAYJIWGBUDCPE-IBGZPJMESA-N 408.462 0.829 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc3cc(OC)ccc3c2)CC1 670773558 SIBMYOPGAGNMJR-UHFFFAOYSA-N 424.501 0.911 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)cn1 727813801 GOGPGURKIVFSJG-UHFFFAOYSA-N 420.498 0.063 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 728535064 XBJYJUSNSOHMNU-UHFFFAOYSA-N 404.854 0.532 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(CC(F)(F)F)C1=O 732544073 OGAITQCFDZKQMC-SNVBAGLBSA-N 404.370 0.005 30 20 HCED COc1ccccc1N1C[C@H](C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 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C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 553419461 WPPSQXPTQMFVEC-UHFFFAOYSA-N 400.435 0.880 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1 553717623 GLCWETVUYSKULK-UHFFFAOYSA-N 405.484 0.680 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C#N 559929384 LIARPQYGJPHDAR-GFCCVEGCSA-N 415.479 0.611 30 20 HCED CS(=O)(=O)[C@@H]1CCCCN(CC#CCN2CCCC[C@@H](S(C)(=O)=O)C2)C1 560197354 RJJMXCLTWGTINI-QZTJIDSGSA-N 404.598 0.788 30 20 HCED C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCS(=O)(=O)CC1 561131571 SFXKYGYRZZTVBV-DZGCQCFKSA-N 422.482 0.285 30 20 HCED N#CC1(CNC(=O)C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CC1 562377264 MQKQDRFADFVNKQ-UHFFFAOYSA-N 417.441 0.845 30 20 HCED CC(C)CCNC(=O)C1CCN(C(=O)CN(CC#N)S(=O)(=O)N(C)C)CC1 567796954 NKJDIGSWAPQOGE-UHFFFAOYSA-N 401.533 0.019 30 20 HCED CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 570708142 XJXXRPRPZPGLKA-UHFFFAOYSA-N 415.475 0.872 30 20 HCED CC(C)CCOCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 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LWHXQIFIDPLPCF-HZPDHXFCSA-N 408.480 0.578 30 20 HCED CS(=O)(=O)c1ccccc1-n1cc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cn1 615632169 QKTQKPKQBHAONN-QGZVFWFLSA-N 405.411 0.678 30 20 HCED C=CCCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 672662528 UUJRWOADZCKIQH-MRXNPFEDSA-N 402.499 0.433 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCOC 732795690 STMWJTJQXWQOPA-UHFFFAOYSA-N 403.508 0.363 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2sc(C)nc2C)c1=O 736584869 SBCCDSYQRKXWJU-UHFFFAOYSA-N 406.533 0.657 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 745993215 KVOXDTUTZACHED-UHFFFAOYSA-N 419.503 0.778 30 20 HCED CC(=NNc1ccc(C(N)=O)nn1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 756834818 FJKVBBGTNNFLIO-UHFFFAOYSA-N 419.511 0.642 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758057034 CRXDYUGOZBQHHY-UHFFFAOYSA-N 423.494 0.749 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NN=C2CCC3(CC2)NC(=O)NC3=O)cc1 758119842 VAQSOSCZIBVIST-UHFFFAOYSA-N 408.436 0.650 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 761032500 IXRMAFRTZWPLOC-UHFFFAOYSA-N 405.436 0.051 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCCN1CCC[C@H]1CO 763073504 ZZFXJGBCIFALEZ-INIZCTEOSA-N 422.551 0.858 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 766986540 HDOVCXVCRWKCRI-BNOWGMLFSA-N 419.459 0.935 30 20 HCED CCN(CC)CC#C[C@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 770801550 DLQYZOSXNGNRCM-INIZCTEOSA-N 421.519 0.698 30 20 HCED CSc1ccc2c(c1)CCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771892401 RIWXPYYDMCXMGC-UHFFFAOYSA-N 408.505 0.825 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 772114876 CBKCDVAPRJFTHC-UHFFFAOYSA-N 401.529 0.051 30 20 HCED COc1cccc([C@H](O)C(=O)NCC#CCNC(=O)[C@H](O)c2cccc(OC)c2)c1 773789990 FPOASSRMTAVILA-BGYRXZFFSA-N 412.442 0.707 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 774619477 BIAFZKWOZTUYGO-GJZGRUSLSA-N 403.449 0.774 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)Cc3ccccc3CC#N)CC2)cn1 776950445 ANAQPEZTFKVXCW-UHFFFAOYSA-N 401.492 0.998 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COC2(CCOCC2)O1 777425684 LHOKUYSBLHVVFD-DZGCQCFKSA-N 409.464 0.263 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](N3CCNC3=O)C2)C1 782998828 YXPJRZLOWLMZQA-KKUMJFAQSA-N 406.487 0.945 30 20 HCED COC[C@H](C#N)OC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 785123558 MCDIBLMVOQLCBU-ZDUSSCGKSA-N 423.447 0.851 30 20 HCED CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1=O 785654391 PWYQHHONMORNNE-CZUORRHYSA-N 412.450 0.683 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(N3CCCC3)nc2)n1 787183006 UPLRBABOCJIVTR-UHFFFAOYSA-N 424.505 0.803 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccccc3F)C[C@H]2C)c1=O 788781080 DPBAOBKFOMDSHI-MRXNPFEDSA-N 415.469 0.851 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 789526656 WAKQSQXJUAVFKU-UHFFFAOYSA-N 402.480 0.768 30 20 HCED CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3cnccc3C#N)CC2)C1=O 793672805 IUJUVZKHFJNRNM-FQEVSTJZSA-N 414.466 0.687 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)N(C)CC(F)(F)F)CC2)o1 796287101 DQVZNXBGARTMRU-LLVKDONJSA-N 417.388 0.929 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 799287020 MRZATQDWXGOZLI-XQEBGNCTSA-N 420.491 0.328 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 799288422 ZEGQUNXKMILWSZ-QFBILLFUSA-N 413.474 0.684 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(F)cc4nn[nH]c34)CC2)o1 800263297 GWCZOUCTJXQGSO-UHFFFAOYSA-N 413.369 0.771 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cc(C#N)ccc1F 804261484 ZKAQMEUTESVLTK-KRWDZBQOSA-N 403.458 0.372 30 20 HCED N#Cc1ncn(CCNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)n1 804620836 WEPKEPZEAKZZLY-HOTGVXAUSA-N 405.418 0.858 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)C1 805059793 FNXFLHGVFKAXFJ-OAQYLSRUSA-N 419.526 0.950 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN(C)S(C)(=O)=O 914924011 RSWWBXPXRCZEOP-UHFFFAOYSA-N 414.484 0.386 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1C 917370125 YRGCFEDFGRLHST-UHFFFAOYSA-N 422.488 0.628 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 920465111 QUGCZHPDXFECDM-HXUWFJFHSA-N 409.450 0.722 30 20 HCED COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1153804456 YZQPXEOGFQCGTI-MRXNPFEDSA-N 403.416 0.461 30 20 HCED COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1162132651 ZAKWNDUYRRXZCG-OAHLLOKOSA-N 417.853 0.635 30 20 HCED C=CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1 1248398809 LNULYNSIQGIQDI-ZDUSSCGKSA-N 406.913 0.820 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1288234284 UCLSBTNXPMCBFE-OAHLLOKOSA-N 412.450 0.970 30 20 HCED N#Cc1cn(CCNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)c(=O)nc1O 1301213271 MCWNAWLNGQXMKE-CQSZACIVSA-N 400.416 0.658 30 20 HCED CCc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 1302597702 WNBMTCUFOFPHNZ-UHFFFAOYSA-N 420.535 0.941 30 20 HCED COc1ccc(C[C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OC 1312118687 JWNZWQQVSKTKIY-LBPRGKRZSA-N 401.423 0.768 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC2CC2)CCO1 1316538268 JBWVRVYRWRQRQH-AWEZNQCLSA-N 403.468 0.289 30 20 HCED Cc1ccc(C(=O)N[C@H](C)C(=O)NCC(F)(F)F)cc1S(=O)(=O)NCC#N 1318327311 KKOPEHFMGXFWGK-SNVBAGLBSA-N 406.386 0.594 30 20 HCED CCOC(=O)c1c(NC(=O)NCCS(=O)(=O)C2CC2)c(C#N)cn1CCOC 1476378535 KCFYMTWERHLRTE-UHFFFAOYSA-N 412.468 0.882 30 20 HCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1539765768 IZYWLYXBMGPEKV-ZBFHGGJFSA-N 418.523 0.913 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cn1 1554333649 QQKVNMFCTPYXOU-GJZGRUSLSA-N 405.484 0.375 30 20 HCED COCCN(C)CCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555520963 YCCKIHCEFFDWRR-UHFFFAOYSA-N 415.546 0.795 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1674296297 MVBYDDHFKFGOPJ-KGLIPLIRSA-N 409.468 0.067 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682227594 URTDFRVPLADGCX-ZACQAIPSSA-N 400.435 0.225 30 20 HCED COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1749005597 JVTJQERCCOKDDE-CQSZACIVSA-N 420.495 0.574 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4ccsc4n3)C2)C1 1778623620 KNCDENYGORTRBY-AUUYWEPGSA-N 402.476 0.878 30 20 HCED O=C(CCN1CCOC1=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1778776878 FNNDEQINMJDEMA-DYESRHJHSA-N 403.479 0.756 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)(C)CNC(C)=O)CCO2)C1 1778967288 DWOJXWXQOSCYJW-KKSFZXQISA-N 409.527 0.552 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1778973511 SHWYPKRAPAOESR-SJKOYZFVSA-N 422.400 0.495 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779019347 GCIITDUWRJSNHD-HNNRIZOBSA-N 417.514 0.216 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cncc(O)c1)CCO2 1779106695 PKGDQJVLJPWSOU-IYNODDHASA-N 418.450 0.760 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ncn1)C2 1779330767 QDLVFNJEYVTMKK-GCKMJXCFSA-N 418.494 0.883 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781090589 RUINEIUUWUVCGT-YLJYHZDGSA-N 410.584 0.371 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1781397743 GHRZMOZNWKRJPL-KUHUBIRLSA-N 421.454 0.192 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1781397763 ZKMGSYVPBHHSDW-YWZLYKJASA-N 414.466 0.974 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1782623935 OGZIJBFVSIDWEM-IZLCOFNUSA-N 405.499 0.138 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCC(N)=O)C3)C2)c(C#N)c1 1783152975 XBSJYGSYVPQKFB-OAQYLSRUSA-N 414.462 0.205 30 20 HCED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1)C(F)(F)F 1783207161 ABPWGPHBANRXFT-OAHLLOKOSA-N 402.377 0.268 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1783568515 YPMARNWTERDHDA-LJQANCHMSA-N 406.822 0.880 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1784484050 PUCPAFGQBYCDKU-OVWQWFNUSA-N 416.478 0.297 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1784505972 WFCYTFVVWMXYPZ-VGWMRTNUSA-N 420.466 0.132 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CNC3=O)[C@H]2C1 1784954529 ZQXWCDZZUVGGQE-QAETUUGQSA-N 418.494 0.286 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376211 ORMZWHVCEWLSKU-OAQYLSRUSA-N 409.446 0.814 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn4nccc4c3)[C@H]2C1 1788445298 IDRRXHQSMSTQNM-LQJIQPLVSA-N 410.474 0.966 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1788571279 FRYBAWMCTYHEPO-QAETUUGQSA-N 402.495 0.572 30 20 HCED CC[C@@H](C)[C@@H](N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601818 OBQAGKRPZMPYKW-CGEBAJNDSA-N 407.559 0.811 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(C)[nH]n3)[C@H]2C1 1788691876 XTXIXUUTKZQZPF-DKIMLUQUSA-N 404.511 0.813 30 20 HCED N#Cc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCc4nc(N)n[nH]4)C[C@@H]32)c1 1789509330 LYRAICXBTJWTAW-ULQDDVLXSA-N 423.477 0.485 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnncc3C(=O)O)C[C@@H]21 1790878327 WVRJDTLJESYVLT-CQDKDKBSSA-N 424.404 0.980 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccccc3n1)C2 1792489478 ZXLPZBOSHWCQFY-IBRLJDPESA-N 423.473 0.396 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H](O)c1ccco1 1792515854 BERUNIVEXNORDS-WDGRPBOQSA-N 404.467 0.374 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 1793341503 XESKXDLDCSHRHW-DFYYWFRZSA-N 415.446 0.765 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCNC(=O)c1ccc[nH]1 1794033525 MNLHCYQRQNDWCZ-OAFZBRQQSA-N 418.494 0.315 30 20 HCED 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CC(C)=NO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@@H](N)C(N)=O)sc2C1 1815066338 CHHMCNLDFMBEGF-GRYCIOLGSA-N 424.527 0.449 30 20 HCED C=C(C(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1)C(F)(F)F 1815068337 MYBKTFROXUHKMF-IUCAKERBSA-N 419.429 0.766 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc3ncccn23)[nH]n1 1822201915 XUWJFPOKYTYIPB-CYBMUJFWSA-N 407.390 0.846 30 20 HCED C=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CN(CCO)CCO)CC2)C1 1823703287 VYQOQZXLRQJXPD-FQEVSTJZSA-N 407.555 0.859 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)OC(=O)OCC)C3)C2)C1 1829671734 FSODZRYZPMPHTI-MGPUTAFESA-N 410.467 0.971 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)cc1 1829901978 GCQVBICUDANIRI-SIKLNZKXSA-N 410.474 0.085 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829902644 WHQXNKNTQPIJBL-SIKLNZKXSA-N 414.506 0.555 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c1 1830458160 LQOLRXOWJCXDLS-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1831395867 ADSSWQYHUFJOCX-VBKZILBWSA-N 423.416 0.468 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831485012 KVXFETWKPIVLIV-LPHOPBHVSA-N 410.540 0.753 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1833339775 SMISHJAYHSNGIK-FQEVSTJZSA-N 402.451 0.686 30 20 HCED Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@H](C)S)CC3)CC2)c(=O)[nH]c1C 1833940350 XYEFVWFMSRKIQW-AWEZNQCLSA-N 421.567 0.890 30 20 HCED Cc1noc(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1834065834 JGLOMSQNEBIJSN-FQEVSTJZSA-N 413.434 0.875 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835095826 GZPWSRGDWKMSCG-CVDCTZTESA-N 410.470 0.533 30 20 HCED C[C@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835356904 BGSFGXPTLAKICW-KBXCAEBGSA-N 407.496 0.704 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835636145 HTKZEHDTVOTKNL-NRFANRHFSA-N 421.542 0.275 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1837394821 KCLUEUGDSMPNBQ-LIRRHRJNSA-N 409.508 0.786 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1837493648 OUJWJNGDSCXHLA-PSGUAHCZSA-N 416.518 0.942 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)c3ccccc3)CC2)CC1 1837778478 KWJOAASFCOKNMI-NRFANRHFSA-N 414.458 0.807 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4n[nH]cc4[N+](=O)[O-])CCO3)C2)CCC1 1837800206 ZXCUYEDIHJGONW-GOSISDBHSA-N 418.410 0.082 30 20 HCED COCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580903 WGFMDBBAUKHCME-NRFANRHFSA-N 417.462 0.673 30 20 HCED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838599598 OCNMFKLFENNSGF-YJYMSZOUSA-N 407.854 0.662 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839122883 JUOSZJFNMGINMS-RTWAWAEBSA-N 423.510 0.094 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351621 NWMOBZKUWLJWFR-YJYMSZOUSA-N 407.492 0.174 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1839843123 RCSILMYXUBTPDE-FIKGOQFSSA-N 417.510 0.946 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839845552 SXKRSWRPAUWCFA-HRAATJIYSA-N 403.479 0.998 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840160889 XCMRHVDBDWSQJI-LIRRHRJNSA-N 419.507 0.426 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c(C)cc(C)nc34)C2)C1 1840173456 ZFWBDWXZHPBXFH-NRFANRHFSA-N 413.478 0.992 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)Cn3ccnc3)CCO2)C1 1840428035 APCNNBNVOVKEBW-OPYAIIAOSA-N 420.510 0.567 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1840713336 BHYAFXBSDNCSKG-BTYIYWSLSA-N 424.461 0.816 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)C2 1841606774 YPLCVXJUIHRLPW-GOSISDBHSA-N 417.510 0.643 30 20 HCED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c1 1841890501 OJZLINUUQUUBOC-UHFFFAOYSA-N 409.446 0.246 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)cc2)C1 1844929943 RJHVGGZUEPHQKI-LJQANCHMSA-N 420.473 0.846 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CC(=O)N(Cc3ccccc3)C1)C2 1846194838 VEOCQQFJFJKOIW-QGZVFWFLSA-N 409.442 0.327 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O)C2 1846366439 MVXHKVCMXMYWEM-FMKPAKJESA-N 405.520 0.688 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 51135382 BYLSOZBGIXIHSG-UHFFFAOYSA-N 412.475 0.655 30 20 HCED CCS(=O)(=O)N(C)CCC/N=C1/NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 305019886 NKHUXSJCSOZEKZ-CQSZACIVSA-N 403.549 0.539 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 410125777 PQFDATXBLNYLQE-GXTWGEPZSA-N 409.386 0.504 30 20 HCED CCN(CCC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429587921 BEDFUOQWZPRLMS-CQSZACIVSA-N 424.479 0.132 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(I)c1 434410426 CZFFSFMBPPVOKL-JTQLQIEISA-N 415.187 0.989 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1C#N 435838847 YMQOHOPMRCZIGB-UHFFFAOYSA-N 415.494 0.953 30 20 HCED CCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCS(=O)(=O)C1 437140791 HJRCPXZUZMYBIY-LBPRGKRZSA-N 419.438 0.857 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)nn1CCC#N 441158720 SEUZHFPRWNOTPJ-RBUKOAKNSA-N 424.505 1.043 30 20 HCED Cc1ccn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)c1C#N 460448797 XCORXQSQKUNECP-UHFFFAOYSA-N 416.459 0.688 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](Oc2ccncc2)C1 460717281 GCZVYMFRPCCGHV-KRWDZBQOSA-N 417.429 1.461 30 20 HCED C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC[C@@H]1CCS(=O)(=O)C1 462796565 SLQZYRXINJPHFG-NEPJUHHUSA-N 417.447 1.366 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 471706171 OOOYWPOEEKLDEH-UHFFFAOYSA-N 408.436 0.726 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC 474333199 RFQFCOBGFHQUSF-UHFFFAOYSA-N 400.504 0.679 30 20 HCED N#CC1(CS(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCCCC1 475756991 IQRWTEZXLWWLHE-UHFFFAOYSA-N 420.539 0.909 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)C2=O)cc1 480836331 ADSRGUOUGPJSLQ-IAGOWNOFSA-N 406.446 0.692 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1 481033908 KNSKXFBPIAVHLR-OLZOCXBDSA-N 414.509 0.905 30 20 HCED C[C@@H](CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCN(C)CC1 486486521 MJYJFHQNBWXKCQ-PXNSSMCTSA-N 412.538 0.842 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(-n4cnnn4)cc3)C2=O)cc1 486625477 GUOPBKNZHIXSKR-GOSISDBHSA-N 423.458 0.613 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2OCCOC)cc1 486714527 SNGZNXRENLNIRI-SJORKVTESA-N 405.451 0.478 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nccn2C)CC1 488230144 KQVUKWOWTHVBDL-CQSZACIVSA-N 402.480 0.307 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CCc3nc(-c4nc[nH]n4)no3)C2=O)cc1 508132258 DUPFACGYZLZEND-AWEZNQCLSA-N 406.406 0.971 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508706262 NWFRBAQFCKJTOB-HUUCEWRRSA-N 401.533 0.954 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1 510096091 WSSKAWVMUHIMSS-LLVKDONJSA-N 420.426 0.308 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@H](C(C)(C)C)C3)CC2)c1C#N 514411342 YOQFFJNYDSWYNV-WBVHZDCISA-N 416.526 0.959 30 20 HCED Cc1cc(C)n(-c2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cn2)n1 515917084 XKOGQNDOSWKYFV-UHFFFAOYSA-N 407.438 0.749 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc3c2OC(C)(C)C3)CC1 530391069 PDYQIAAPKSRDOO-UHFFFAOYSA-N 400.479 0.785 30 20 HCED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 530654662 JNCOJKPOVNCHNI-UHFFFAOYSA-N 420.475 0.714 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1 533831840 WVCRWHSIGPKRMN-ZDUSSCGKSA-N 423.413 0.626 30 20 HCED Cc1cc(NC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)nn1CCC#N 535770048 BAELRQPBIPAQRC-UHFFFAOYSA-N 409.494 0.982 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(CCNS(C)(=O)=O)s1 537151827 KKDKWYPZWWUYSL-UHFFFAOYSA-N 410.525 0.722 30 20 HCED Cn1cc(I)c(=O)n(CC(=O)Nc2ccc(C#N)cc2)c1=O 537653322 YDVYLYMPYVFJOR-UHFFFAOYSA-N 410.171 0.662 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)c1 540479564 ONBUPHIKQKVFCM-OAHLLOKOSA-N 409.508 0.860 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 554200646 CUMQAVBSMTZNJY-SFHVURJKSA-N 418.457 0.524 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3nnn(Cc4ccncc4)c3C)CC2)c1C#N 560667218 AFKOLJLVBYBAMA-UHFFFAOYSA-N 405.466 0.906 30 20 HCED CC(C)NC1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 567422591 KCGLXVNOJBPGRX-IBGZPJMESA-N 411.506 0.764 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 571899624 HAUFWCUMHFJBEI-ZDUSSCGKSA-N 407.496 0.244 30 20 HCED CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 574615076 YQQAPZKMOYUWFG-OAHLLOKOSA-N 401.510 0.924 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2[C@H](C)[C@@H](OC)C2(CC)CC)CC1 578802235 UAVTXFQYHNIMRV-CGTJXYLNSA-N 408.543 0.389 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1C#N 579818632 OGAAYGHSVZMGOB-UHFFFAOYSA-N 401.452 0.222 30 20 HCED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)CCO2 587639995 HHZLYPXPJQQXDW-BTYIYWSLSA-N 413.478 0.445 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1=CCN(C)CC1 589188167 DAXFGPYCDBMHCY-CQSZACIVSA-N 412.494 0.839 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)c1=O 603908636 CKCQDXWPAZNCTP-UHFFFAOYSA-N 415.494 0.589 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1C 603993523 ZHGZZIBMSGNBPQ-UHFFFAOYSA-N 401.488 0.501 30 20 HCED COc1ccc(Cn2nccc2NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 611187044 SJYONTPNNFFBBY-UHFFFAOYSA-N 422.449 0.804 30 20 HCED CS(=O)(=O)N1CCN(CCNCc2cn(CCC#N)nc2-c2ccncc2)CC1 618967137 ZKISOCGDBGIMGP-UHFFFAOYSA-N 417.539 0.526 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1=O 726043219 LONJCZWFPNIVJE-UHFFFAOYSA-N 424.753 0.707 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 728294897 MINCSGLHLRXIGE-UHFFFAOYSA-N 409.420 0.516 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCCn2nc3ccccn3c2=O)cc1 737332717 JQKZXPZDIJAFDI-UHFFFAOYSA-N 414.443 0.655 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 745742084 FAJGBNJYBRNMDI-YVEFUNNKSA-N 411.418 0.501 30 20 HCED Cn1cc(Br)cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1=O 754923210 RLURAQZKAIQWBX-UHFFFAOYSA-N 419.239 0.581 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1=O 755791653 BYCWYKIUAIKJDT-UHFFFAOYSA-N 409.450 0.451 30 20 HCED C[C@H](CCCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 756327296 OLBJUPRSCXNUPQ-QIAIEURZSA-N 410.496 0.715 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 756877550 VBPBDNIYIYKFTO-HNNXBMFYSA-N 419.445 0.807 30 20 HCED Cn1c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nnc1C1CC1 758549206 DURPTYXQXRDALT-UHFFFAOYSA-N 402.480 0.828 30 20 HCED COCC(=O)N(C)CC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1 759437165 LYDUHIXOTKLHSI-UHFFFAOYSA-N 404.242 0.230 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C(=O)O)c1cc(F)ccc1F 766957756 PMQMEZMILVSQOJ-OAHLLOKOSA-N 409.370 0.945 30 20 HCED COC(=O)C[C@]1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 771653188 HEDBYUAPEBHSEW-BFUOFWGJSA-N 423.491 0.732 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)cn1 772310446 DUZSRXVWEXOFIV-UHFFFAOYSA-N 422.470 0.369 30 20 HCED C#C[C@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCCO1 775793699 NBHIBPDGNJNGLP-PKOBYXMFSA-N 405.520 0.987 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1 777297690 TXIJTVLWVFACAT-AWEZNQCLSA-N 404.423 0.983 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCC2)n(C)c1 779315849 FXSRCWXUSGMCGZ-UHFFFAOYSA-N 402.498 0.419 30 20 HCED C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C(=O)N1c1cnn(C)c1 780059765 IGFOMPXOTKIJMD-WOSRLPQWSA-N 410.434 0.960 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1C#N 782138238 RACKZVWQBWTSDE-HUUCEWRRSA-N 418.406 0.590 30 20 HCED CCOc1cccc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)n1 787757555 FJTZIZXNFLDFOU-UHFFFAOYSA-N 423.477 0.624 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCCCO)c1 790983045 OGEQXVANSUPIEF-PGMHBOJBSA-N 410.496 0.717 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc(C(=O)O)sc2Br)n1 794840881 MUDWHSHDOXMAQA-UHFFFAOYSA-N 406.243 0.650 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCc2cccc(CS(N)(=O)=O)c2)c(F)c1 802554610 JSHSPGFVQRACJW-UHFFFAOYSA-N 407.398 0.990 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c(C)c1OC 806610563 SGHJGWXRONFGAY-UHFFFAOYSA-N 412.471 0.350 30 20 HCED C[C@H](CC(=O)NCc1ccc(CC(N)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 810750930 SGHZGWYNMBHXKX-CYBMUJFWSA-N 414.487 0.848 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)c1 813983721 COHBBXHNQOAXRG-QGZVFWFLSA-N 404.423 0.971 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCCNc1ccc(C#N)cn1 814283776 KENWMHUJVXRSLP-UHFFFAOYSA-N 418.479 0.733 30 20 HCED Cc1cc2cc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2[nH]c1=O 820791208 LKTWYIWKMFMHPU-VLGSPTGOSA-N 402.432 0.641 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 822874322 JTXNFTBEUSVJGU-GFCCVEGCSA-N 414.867 0.656 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccc3)c2=O)cn1 839244655 ITTFGXIFXJFTRI-UHFFFAOYSA-N 419.510 0.668 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1C(=O)CCC1=O 913220218 HAULIPRFQSOUNK-AWEZNQCLSA-N 421.475 0.832 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 916809581 GLUZIMVEBJKPFZ-INIZCTEOSA-N 415.406 0.622 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)OC[C@@H]3CCCO3)CC2)o1 921094454 CVZDTVWBVDZUJX-HIFRSBDPSA-N 406.439 0.631 30 20 HCED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1c1cncn1C 1131033190 LXIKODKUNTUIPD-WRMBXCAGSA-N 404.511 0.558 30 20 HCED COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C#N)c(SC)nc2O)CC1=O 1160604814 OKGRCDGCGVOLLY-ZDUSSCGKSA-N 407.496 0.290 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCc1nc(CCN(C)S(=O)(=O)N(C)C)no1 1254883293 ZLQUOCYAXKVOGX-UHFFFAOYSA-N 408.484 0.725 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301041993 PADGFYOLNRECPY-QWHCGFSZSA-N 422.960 0.946 30 20 HCED CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1314101717 VNROMGHFYFORKU-VQTJNVASSA-N 404.515 0.737 30 20 HCED CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318453131 XXQZWJMOBGNNPH-UFVMTTLYSA-N 409.446 0.858 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 1324257014 IOQAHENCTJSPEE-UKRRQHHQSA-N 402.451 0.945 30 20 HCED C[C@H](CC(=O)N1CCC[C@H](C(=O)N(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1348230211 UQTMVACPVXHNBT-KGLIPLIRSA-N 406.508 0.831 30 20 HCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1 1359076342 YQYKRHAXWGLGNL-UHFFFAOYSA-N 402.318 0.991 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@](O)(CC#N)C1 1469405980 PPHYQCLTQQAGSF-GOSISDBHSA-N 409.464 0.207 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2ccnn2C)C1 1558599849 ITLLZGXIJZCCTK-GUYCJALGSA-N 403.464 0.559 30 20 HCED CCN1CCN(C(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1611389473 ZLQNTNGBVXDJLA-HNNXBMFYSA-N 417.897 0.845 30 20 HCED CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1637282772 SPVFNEQELXKZFW-UHFFFAOYSA-N 403.439 0.680 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(C#N)c1 1664392814 DYBVDUNTMVZMSX-AWEZNQCLSA-N 418.468 0.827 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1 1710268349 WMRKRODILAKBTM-BRWVUGGUSA-N 402.547 0.994 30 20 HCED CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1729845544 ZVJWRNIRSVWYKE-CQSZACIVSA-N 405.480 0.998 30 20 HCED CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1745778379 NMULXWWUDYOTCT-CQSZACIVSA-N 412.454 0.570 30 20 HCED COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1749273505 KGYWBOQWQSFJID-CHWSQXEVSA-N 400.505 0.290 30 20 HCED O=C1CC(C(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccc(Cl)cc4)CCO3)C2)=NN1 1778934479 YQHWFSOJXPSZRD-HXUWFJFHSA-N 414.849 0.397 30 20 HCED 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C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1=O 440269876 POHKKUGPXHBYJK-OAHLLOKOSA-N 407.434 0.631 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1CCSC 443564018 IXPKOJYPHZSNPI-UHFFFAOYSA-N 417.556 0.847 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 446524093 QVHMCEVVYPZWDC-UHFFFAOYSA-N 411.466 0.339 30 20 HCED CN(CCN1CCOC(C)(C)C1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 468975736 OIHQIXRLRKOUGB-UHFFFAOYSA-N 408.524 0.748 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 470765156 KDRMXECFBBHVIJ-ACJLOTCBSA-N 406.464 0.259 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC(=O)NCCN3CCOCC3)C2)n1 471960831 LRWDLJLQDLGDOG-SFHVURJKSA-N 414.510 0.043 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 472201084 NGYSSELNEUBKOW-UHFFFAOYSA-N 423.520 0.515 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cs1 473345677 BJBSUUAVRMWHOX-UHFFFAOYSA-N 406.493 0.663 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 475726161 HAABNIIQIONQCQ-SFHVURJKSA-N 411.524 0.670 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)Cn1c(=O)c(I)cn(C)c1=O 478066522 ZKBFCKGIIVALGN-ZDUSSCGKSA-N 404.208 0.206 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 479506261 VIRNHWGWXVAFBY-UHFFFAOYSA-N 402.432 0.804 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482499157 DDRWNABMDLVYRY-LSDHHAIUSA-N 422.507 0.321 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486022071 YCPNBJNZUZHRKE-IIBYNOLFSA-N 409.446 0.496 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cnccc3C#N)CC2)cc1 486303726 GZENDJPRQGIFQO-UHFFFAOYSA-N 413.503 0.998 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(O[C@@H]4CCOC4)CC3)n2)cc1 491100671 HFMPRSGWDGLCJH-GOSISDBHSA-N 424.461 0.933 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cscn2)c1=O 497573305 RDEZEEDLUPHALG-UHFFFAOYSA-N 406.533 0.822 30 20 HCED C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508868922 XWGJIRVGVCZBOU-CQSZACIVSA-N 416.869 0.844 30 20 HCED CC(C)(C#N)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 510645255 HGDDROGQCUZECH-MRXNPFEDSA-N 400.435 0.305 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCCSC 512776619 QTEPQGOZWHMDMO-UHFFFAOYSA-N 417.560 0.685 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3CCC(C)CC3)CC2)c1C#N 514925945 HQIPZOXGBXUKEJ-UHFFFAOYSA-N 401.515 0.097 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCCc1ccc(OC(F)F)cc1 517251534 YHUOBCZUBUDUBK-UHFFFAOYSA-N 416.406 0.904 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)n(CCC#N)n1 533318505 NWMGQBWCPHXTCS-KRWDZBQOSA-N 401.515 0.672 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC[S@](C)=O)cc1 537006474 MVXNUTPNPIGWDN-NRRJATNASA-N 415.537 0.705 30 20 HCED CCOC(=O)c1cn(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 537729821 RRPLRMQYHFPCGM-UHFFFAOYSA-N 404.448 0.663 30 20 HCED C=CC[C@H](CO)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 538212746 VMYLDFJDGOGRDE-DLBZAZTESA-N 404.515 0.766 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(NC(N)=O)CC2)CC1 539451093 RKCBGNICWUEQND-SFHVURJKSA-N 402.474 0.667 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1cnn([C@@]2(C)CCS(=O)(=O)C2)c1 539909048 RMLWRQUUYLCPCR-BEFAXECRSA-N 415.523 0.789 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)CC1 540298702 WZWXMQCGYJKNJV-FQEVSTJZSA-N 418.586 0.309 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC1CC1 541412950 MOWAFCOCBYNZGB-INIZCTEOSA-N 400.435 0.792 30 20 HCED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549724162 DDXPEONDEHTTET-QGZVFWFLSA-N 404.515 0.339 30 20 HCED CN(C)CCN1CCC(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 550551315 LZHVJBISWXPVOJ-UHFFFAOYSA-N 412.538 0.608 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)ccc1Br 550766277 PYKFBDFBEATBEE-UHFFFAOYSA-N 417.223 0.595 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1=O 550902188 MRVUKGJPGXWTEJ-NVXWUHKLSA-N 415.494 0.168 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)NC)CC2)cc1 558194216 SLVFIRMNKTUFAZ-UHFFFAOYSA-N 401.510 0.305 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 558290054 CYDYMNDSYGCOPJ-SJORKVTESA-N 412.494 0.365 30 20 HCED CCNC(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 566039819 JEZYBNGOROJXMP-CQSZACIVSA-N 409.450 0.985 30 20 HCED COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 569769776 QFHVKSTUUDNQBW-QGZVFWFLSA-N 411.462 0.959 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 572760684 VVEQVAQYCKCKJH-KRQILSMLSA-N 417.535 0.798 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)C1=O 578086670 JVSQXFLJWASRCZ-CJNGLKHVSA-N 401.463 0.880 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CCCCN3C3CC3)CC2)c1C#N 578559556 MBJLBTCHAZNLGS-QGZVFWFLSA-N 413.526 0.382 30 20 HCED C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 579630736 ZMPUIPTTXKTHLU-KXBFYZLASA-N 423.521 0.891 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 581242606 PKPDEOXOJIKAID-CQSZACIVSA-N 404.427 0.079 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)n1 583233621 HOEKLJGQGFQRTL-KSSFIOAISA-N 424.461 0.761 30 20 HCED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2C(=O)NC[C@@H]2C1 584542583 YAXBWEJUIHQXMS-CQSZACIVSA-N 420.477 0.982 30 20 HCED COc1ccc(OC)c([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 585691947 FSYKZLVTVWPTLF-LBPRGKRZSA-N 414.466 1.149 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)C2)c(F)c1 586873155 CIKPWBYKVFVSDM-GJZGRUSLSA-N 422.482 0.333 30 20 HCED CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CCOC 589471389 DOSSZDWREITKKF-KRWDZBQOSA-N 408.524 0.796 30 20 HCED CC(C)CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 603557639 KHZGFHYLTRDIDG-QGZVFWFLSA-N 418.519 0.896 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)nc1 609467797 JEQQHIWHONGILI-UHFFFAOYSA-N 406.512 0.504 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 613164680 CWHAPXZDKFSDIN-UHFFFAOYSA-N 408.422 0.996 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 615069826 ONOOJWGOZHKWKK-UHFFFAOYSA-N 408.480 0.874 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1 615255202 CUUKBLSRUHQOHH-UHFFFAOYSA-N 408.480 0.763 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 615629501 MAJUPNHNGVUZAC-LJQANCHMSA-N 404.398 0.327 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@@H](C)c1cc(OC)ccc1OC 671193845 DPDKRSCXXDAXMQ-NSHDSACASA-N 410.452 0.838 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 728534055 DUMVNCPDUKKHAI-UHFFFAOYSA-N 403.479 0.539 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 728570892 OTYNXCQXESYIOL-UHFFFAOYSA-N 414.403 0.828 30 20 HCED COc1cc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc(OC)c1OCC(N)=O 734567429 RZCMMSJYQXTNGJ-KRWDZBQOSA-N 413.386 0.823 30 20 HCED COC(=O)c1occc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 734750824 FZRRCRKXZZKMRR-UHFFFAOYSA-N 407.452 0.843 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCc3c2cnn3C)CC1 734750848 GSNYWZRMVNKDKR-UHFFFAOYSA-N 403.512 0.904 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)C3(C#N)CCC3)C2=O)cc1 736845971 RSXPZHKUIHYKPN-GOSISDBHSA-N 400.391 0.730 30 20 HCED COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccc(C#N)cc1 745590159 XDNRPXPNNYKIKU-QGZVFWFLSA-N 416.411 0.888 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)O[C@H]3CCN(c4ccc(C#N)cc4)C3=O)cnc21 746911677 NUCSLULSQJZWRY-HNNXBMFYSA-N 405.370 0.868 30 20 HCED CN(C)c1nc(N)nc(COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 748410891 ZETFHBDAKMUDHT-UHFFFAOYSA-N 404.452 0.954 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(CCO)CCN2CCOCC2)ccc1F 757108831 ZLEHTRXEIAGPNL-UHFFFAOYSA-N 415.487 0.057 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2ccc(-n3cnnn3)cc2)C1 758639531 FQWGCLZLZUUJRR-DOMZBBRYSA-N 419.467 0.700 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccn4)n3)CC2)nc1 759030457 WLPQYMQBUUJGSC-UHFFFAOYSA-N 416.445 0.880 30 20 HCED COCC(=O)N(C)CC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 759216125 JIHXCFHIBASJCA-MRXNPFEDSA-N 417.422 0.057 30 20 HCED CN(CCCNC(=O)CON=CC(=O)Nc1ccccc1Cl)S(C)(=O)=O 762671511 SYHDOTPKJVIZNC-UHFFFAOYSA-N 404.876 0.679 30 20 HCED CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 763196391 BNWYBIOXBIVFPS-SILNSSARSA-N 407.496 0.212 30 20 HCED N#Cc1ccc([C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 763232977 XVKCGUDAUFPCLT-HNNXBMFYSA-N 404.448 0.290 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCS(=O)(=O)N(C)C)c1 765471548 BPTNYQNCJQQAOU-OBGWFSINSA-N 416.525 0.719 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 772534895 PSYNMYAFBIKBIU-UHFFFAOYSA-N 415.446 0.555 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OCC(=O)NCC)cc2)c1 783463046 XXGSYBRNGVCLHE-UHFFFAOYSA-N 422.441 0.876 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CO)CCC2)c1 785232825 NEHHIAHUKBRXOI-JWGURIENSA-N 422.507 0.717 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccccc1N1CCOCC1 787754177 LVUGQFTVTYUZTR-UHFFFAOYSA-N 408.462 0.634 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)nc1 787981171 WCWUARMOYOLXPA-LJQANCHMSA-N 422.489 0.671 30 20 HCED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCCOC2)O1 796506485 RTDJZSBMHUNHEG-AUUYWEPGSA-N 407.492 0.912 30 20 HCED C=CCN1CC[C@H](OC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 798563010 ZDNNHDUPMUZMFN-INIZCTEOSA-N 424.475 0.846 30 20 HCED Cc1[nH]c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1C(=O)O 800808722 ZBQDDPYOOWHEIX-UHFFFAOYSA-N 406.468 0.798 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)CC1 802806699 YFAMXVUINWOLLU-MRXNPFEDSA-N 407.496 0.641 30 20 HCED C[C@@H](OC(=O)c1cnccc1C#N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 805717891 AVXQKUMDIGVOCF-GFCCVEGCSA-N 402.432 0.505 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCCO1 808955848 NTLCKUPAIFFZPW-CCKFTAQKSA-N 401.463 0.696 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1C#N 809501400 ITYSHJFTCJPOQT-UHFFFAOYSA-N 404.430 0.799 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1 811875011 TWFQQHSFVHRWBE-UHFFFAOYSA-N 419.503 0.309 30 20 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HGSUITOSEKAZMM-LJQANCHMSA-N 406.822 0.498 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(OC)cc1[N+](=O)[O-])CCO2 1839233752 MCQSFLDIIZWMKB-FQEVSTJZSA-N 417.418 0.236 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CC3)CCO2 1839608530 JRPFHRAIXJCQKY-OAQYLSRUSA-N 412.446 0.555 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630816 VCEMEKUPZSYJKH-OAQYLSRUSA-N 411.462 0.831 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839674081 MMGJDVIJUFJJSY-LAUBAEHRSA-N 408.543 0.970 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)c(OC)c3O)C2)C1 1839809402 NZRAUMQNACUFMQ-HXUWFJFHSA-N 404.419 0.113 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)cc(F)c3)C2)C1 1840043233 MJLGSTNRTQLADJ-LJQANCHMSA-N 408.357 0.123 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1840167006 PYWSXJUMERCSJU-NRFANRHFSA-N 401.463 0.964 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840170651 RVDGECXNHFZRMK-NRFANRHFSA-N 401.463 0.468 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840216873 TVPPIWPYHFLJOL-UWJYYQICSA-N 408.495 0.710 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)Cc1noc(C(C)C)n1)C2 1841054181 VFECSWWLCWQRKH-SREVYHEPSA-N 401.467 0.797 30 20 HCED COCCOCC(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138429 AIDQOZQWOLXCJF-UHFFFAOYSA-N 401.463 0.976 30 20 HCED COc1ccc(CCC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c(OC)c1 1845929675 IVEHDINMRSYVSW-UHFFFAOYSA-N 400.431 0.928 30 20 HCED COC(=O)N(CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)Cc1ccccc1 1846260556 HZGQXHQTAYUXOW-UHFFFAOYSA-N 413.430 0.546 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1847070433 XYIYGVHGXWXTIX-HNNXBMFYSA-N 416.482 0.398 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2cc(C)ccn2c1=O 1847802192 ONFJHSAQTKCMDP-SZMVWBNQSA-N 408.458 0.857 30 20 HCED N/C(=N/C[C@H](O)COc1ccc(I)cc1)N1CCOCC1 303975557 JFHSHUZQPPCNQX-LBPRGKRZSA-N 405.236 0.678 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)C1=O 410112592 GAFJNGHYDVCBMK-KRWDZBQOSA-N 409.508 0.779 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)=O)cc2)C1=O 410144455 VJRCPFBKUZLZFX-SUMWQHHRSA-N 407.492 0.801 30 20 HCED N#Cc1ncccc1S(=O)(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 428261566 QCAUZURFMOVCDY-ZDUSSCGKSA-N 402.432 0.556 30 20 HCED C=CCN(CCC#N)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 428858220 WSZVGYQKSDQHBE-UHFFFAOYSA-N 406.508 0.725 30 20 HCED COC(=O)[C@H](NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(C#N)c1 434859153 CSMYRKUVMLKDNN-GOSISDBHSA-N 417.491 0.949 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n(C)c1=O 436345387 YSGKXXIROPAZNJ-HOTGVXAUSA-N 406.446 0.732 30 20 HCED C[C@@H](CN1CCN(C)CC1)Nc1ccc(C#N)c(N[C@H](C)CN2CCN(C)CC2)n1 436395011 GUTUDEFOOPJRIL-RBUKOAKNSA-N 414.602 1.049 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 441149205 PRRNESTYGGMWKU-QZTJIDSGSA-N 410.478 0.734 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3cccc(C)c3C#N)CC2)no1 441655294 GTJQTUXWNFOSHI-UHFFFAOYSA-N 410.434 0.885 30 20 HCED C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1CO 442885355 WLGOOIGKAAKSAJ-WBVHZDCISA-N 406.508 0.094 30 20 HCED CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 443107673 TWAADAPXBIAADN-UHFFFAOYSA-N 416.481 0.949 30 20 HCED Cn1ncnc1COc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1 447015799 HMPLQOUWOHONDQ-UHFFFAOYSA-N 404.496 0.908 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(S(=O)(=O)CC)CC2)cc1 447355154 PXNLPGHUBQYZFW-UHFFFAOYSA-N 407.492 0.967 30 20 HCED Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460589615 VYUZQAYIIHIWHR-KRWDZBQOSA-N 420.429 0.942 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1C 465400193 DSZHOAAFADYRSA-CYBMUJFWSA-N 421.461 0.692 30 20 HCED CNC(=O)c1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 480234795 XIYTVDCBSPZKJS-CYBMUJFWSA-N 400.460 0.901 30 20 HCED CNC(=O)c1cccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 482091408 CMIIHWCYPZKHHB-CQSZACIVSA-N 414.487 0.944 30 20 HCED CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 497853890 SFJQBWYUWILBOS-MOPGFXCFSA-N 410.522 0.935 30 20 HCED Cc1oc(NC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(C#N)c1C 502326240 PWBUJGTUTAJXRI-HNNXBMFYSA-N 410.496 0.833 30 20 HCED C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccc(C#N)cc2F)CC1 507175728 BSMOMALEMMATIX-HOCLYGCPSA-N 408.499 0.853 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(Cc3cccc(OCCCC#N)c3)CC2)CC1 509383122 ACPSAWKBLDKRSG-UHFFFAOYSA-N 421.567 0.979 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n(C)c1=O 511706822 KDKBASGNWZNSNU-UHFFFAOYSA-N 422.380 0.269 30 20 HCED CC(C)COC[C@H](O)CNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513749397 RLYGBIKWDDGZKT-CYBMUJFWSA-N 403.414 0.971 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 531784367 DTZIKKUKXQPCIU-CQSZACIVSA-N 401.442 0.791 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C3CC3)[C@H]3CCS(=O)(=O)C3)CC2)o1 532718160 ASIKDNGOGDLFRC-HNNXBMFYSA-N 407.496 0.155 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 540798563 UZLFHPGSQDZDCR-LBPRGKRZSA-N 413.452 0.028 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 543749168 ZOONTILTPVKAKT-DLBZAZTESA-N 419.507 0.777 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCOC[C@@H]3CCCO3)CC2)cc1 552347217 SGGSRPYMJWMYGL-FQEVSTJZSA-N 414.506 0.904 30 20 HCED COCCNC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 555109336 RFSFEHFLDASIKO-UHFFFAOYSA-N 416.459 0.851 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)nn1CCC#N 555283051 RVUHMPGZNXPRGH-INIZCTEOSA-N 409.450 1.466 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCC2(N3CCCCC3)CCN(C)CC2)CC1 576895000 GIIFNNJFWKDPNU-UHFFFAOYSA-N 405.587 0.820 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582024573 FCMJQDNWQFUWGV-OTWHNJEPSA-N 410.474 0.873 30 20 HCED CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1 582379932 IPZXDVYECKYPGU-SFHVURJKSA-N 420.473 0.595 30 20 HCED 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415.475 0.445 30 20 HCED C#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 744371109 OSMKASWREWLWPD-UHFFFAOYSA-N 407.492 0.294 30 20 HCED COCCN(CCC#N)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 744405135 CFZFTUROGOVKHE-IBGZPJMESA-N 403.439 0.355 30 20 HCED CN(C)CC(=O)Nc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 744754981 HCNMPEFKLDULQR-UHFFFAOYSA-N 415.475 0.864 30 20 HCED CCc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746363449 YOYZJTPBZXUVMJ-UHFFFAOYSA-N 423.477 0.690 30 20 HCED C#CCN1CCC(C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 747625606 UTLIGTQZYHGJQX-UHFFFAOYSA-N 405.499 0.656 30 20 HCED C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1 747643138 XLFMULBZHQTZMB-LLVKDONJSA-N 422.488 0.250 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)CC1 747991661 NKVAOOBRJPRWJM-UHFFFAOYSA-N 410.474 0.736 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C[C@H]1CCOC1 749856246 CUWBEEFXFAPRFZ-MRXNPFEDSA-N 407.499 0.968 30 20 HCED 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20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1683752978 UZHNRADKTSZCJN-IAGOWNOFSA-N 420.491 0.730 30 20 HCED COCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1698031600 RDXZFMXUZOCRMQ-KRWDZBQOSA-N 424.571 0.888 30 20 HCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1711318205 IXLBKIYZRQWKRL-HXUWFJFHSA-N 405.466 0.956 30 20 HCED CS(=O)(=O)CC1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1731001662 WQCSZLXXQKAJJE-INIZCTEOSA-N 416.507 0.817 30 20 HCED COc1ccc2nc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC(=O)O)CCO4)C3)ccc2c1 1777900397 UXWXFZXDQJKITP-JOCHJYFZSA-N 423.425 0.775 30 20 HCED COCCn1nccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC#N)C2 1778232257 MRXBAWVCANNZDC-YLJYHZDGSA-N 403.483 0.961 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1778979746 PSWPCTQDWPNGNM-HRAATJIYSA-N 408.495 0.899 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)on1 1779101931 VHAVJRBKILPPFJ-KRIYTASASA-N 406.439 0.956 30 20 HCED 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COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1 31806278 MOZYDXHFQNHOIE-UHFFFAOYSA-N 418.431 0.410 30 20 HCED N#Cc1ccc(NC(=O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1Cl 52971186 OZSQUVREKUPRHE-UHFFFAOYSA-N 403.870 0.917 30 20 HCED C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN([C@H](C#N)c2ccccc2)CC1 216381772 RYJDGZZBLSRIFP-GDBMZVCRSA-N 410.478 0.120 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 409535438 MNUPPTSCKWGGBC-HNNXBMFYSA-N 416.525 0.276 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1=O 427121399 YANVQHQTZYNHGR-QGZVFWFLSA-N 423.429 0.283 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nccnc2N)CC1 430148937 MBPLXCXUZQIVPD-UHFFFAOYSA-N 418.504 0.556 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H]3CCCCN3C3CC3)n2)cc1 434555913 LFOVVOZAPJPMPX-GOSISDBHSA-N 407.478 1.270 30 20 HCED CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1cc(C#N)ccc1F)CC2 442337147 ULXNUDWEDLSBQL-UHFFFAOYSA-N 416.434 0.811 30 20 HCED CCN(C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1)CC(F)(F)F 444525073 RDHILOVBYCQYKS-ZDUSSCGKSA-N 400.405 1.468 30 20 HCED CCCN1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1=O 472534555 HPPAYBXZCPJDMM-UHFFFAOYSA-N 402.451 0.993 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cccc(C(N)=O)c1 481513283 VIEZTLYMWKZXDH-ZDUSSCGKSA-N 400.460 0.683 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OC 481785398 JKDGORAMBQQJOL-BTYIYWSLSA-N 415.446 0.846 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCN3CCC[C@@H]3C(N)=O)C2=O)cc1 486488932 PDEYMYHOEAQWAF-ZWKOTPCHSA-N 412.494 0.298 30 20 HCED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=O 488069048 WANZDMGKKCXUCJ-UHFFFAOYSA-N 420.878 0.906 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCCOCC 497577983 CFCDEIDWJRFJBF-UHFFFAOYSA-N 406.533 0.822 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nnc2n1CCCC2 497683548 GUJZRGKHYZZCSF-CQSZACIVSA-N 416.507 0.902 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1 505158999 NFBFIBISYPOXOV-MOPGFXCFSA-N 408.462 0.997 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)(=O)CC1 508474379 TYDQRVMSRRDJDN-UHFFFAOYSA-N 410.525 0.659 30 20 HCED C=CCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508872887 KTZKHCSFEHFWLB-IAGOWNOFSA-N 404.515 0.337 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1=O 510229137 PVGWAWYSDMYJOV-UHFFFAOYSA-N 404.448 0.782 30 20 HCED CCOC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCCOC1 511666969 PQBVYGAVDQNBSR-NVXWUHKLSA-N 423.491 0.967 30 20 HCED COc1cc(OC)c2ncc(C#N)c(N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)c2c1 519826947 NDJXSWDRICJRIS-ZDUSSCGKSA-N 418.475 0.863 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1=O 520641131 ZGTNTDZKEZMZTI-DZGCQCFKSA-N 405.886 0.675 30 20 HCED COC(=O)[C@@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 520778115 YPZGKPXIUZLALB-KRWDZBQOSA-N 423.491 0.511 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cc(C)cc(C)c3)c(=O)n2C)CC1 520867178 ZPGHSHYZXSNAPA-UHFFFAOYSA-N 410.543 0.731 30 20 HCED C=CCOc1ccccc1CNC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 522066570 MSZBMMIXULVZTM-GJZGRUSLSA-N 409.508 0.990 30 20 HCED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccccc1SCCC#N 523047566 LMDSLBZBVQBXNJ-CQSZACIVSA-N 417.491 0.484 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 525664124 VNGGAFNDMSPNDY-HNNXBMFYSA-N 403.435 0.620 30 20 HCED C[C@@H](C(=O)N(C)CCC#N)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 533033870 VTDSHXPPQXXIKU-AWEZNQCLSA-N 423.495 0.881 30 20 HCED C=CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 533065174 AHGWPGGGTPIMGG-CQSZACIVSA-N 401.510 0.338 30 20 HCED C=CCNC(=O)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 539700407 VDILYTTWTREFHT-UHFFFAOYSA-N 407.496 0.175 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CCO1 542919578 DDZJXASHCJLFQB-INIZCTEOSA-N 412.406 0.959 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3Cn3cncn3)CC2)n1 545495749 PJANTUZEJXBFAM-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 545498150 YYDWWWPMSQWNKC-UHFFFAOYSA-N 414.447 0.039 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCOc2ccc(C)cc2C)CC1 550495938 WJHHPLLHTQMIAE-UHFFFAOYSA-N 402.495 0.245 30 20 HCED Cc1nn(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 561476916 KCLOIIVJYBTDIV-UHFFFAOYSA-N 409.493 0.295 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC3(CC2)CCS(=O)(=O)CC3)n1 571663747 HLXZXISKZDMKOA-UHFFFAOYSA-N 421.523 1.266 30 20 HCED Cc1noc(C)c1CN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 578053250 JUFVNKFBAISXJC-UHFFFAOYSA-N 417.491 0.786 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 578795794 WZGPGRLNTYJSOX-WNRNVDISSA-N 406.442 0.440 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 583896839 QEQUCAHMVNWXDP-VYUPXQACSA-N 417.535 0.798 30 20 HCED CCc1ccc([C@H](COC)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)o1 584131821 AAUOONHNPMQEGR-HNNXBMFYSA-N 402.455 0.914 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CC(=O)N(C)C 604270158 QBXOSUSYASXGDV-UHFFFAOYSA-N 404.517 0.089 30 20 HCED COc1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1S(=O)(=O)NC1CC1 615628578 WBIBRRAGFPPNCO-KRWDZBQOSA-N 410.427 0.539 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@](F)(C#N)C1 615639874 NXOXGYPXIUSUTQ-RDTXWAMCSA-N 410.471 0.972 30 20 HCED CC(=O)N1CCC(NC(=O)CON=C(N)c2cccnc2N2CCCCC2)CC1 725792618 QIXKGIIFHGRZJE-UHFFFAOYSA-N 402.499 0.836 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)CC1 728534089 WTXGNMBYSDIBJV-QGOAFFKASA-N 411.441 0.012 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc(OC)c(OC)c2OC)CC1 729256537 AQVQYSDAOLLPSY-UHFFFAOYSA-N 417.506 0.929 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(O)CCCC2)c1 737236018 IOSGWXAEABSPOK-JWGURIENSA-N 422.507 0.859 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742245186 FSFIZRWFKOCGOV-BVBGPBQDSA-N 409.442 0.616 30 20 HCED C[C@H](CCO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743997224 ZLNVVPHQGGLVJP-QIAIEURZSA-N 410.496 0.573 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 745353325 IYZAWZFALRVXKC-DIFFPNOSSA-N 411.484 0.055 30 20 HCED C[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)NC1(C#N)CCCCC1 746942555 NGQVYFAMBAFSSM-LBPRGKRZSA-N 413.434 0.520 30 20 HCED C#CCNC(=O)CN1CCN(Cc2csc(-c3c(C)c(C)nn(C)c3=O)n2)CC1 750043933 OTDUUSBCUJEWAN-UHFFFAOYSA-N 414.535 0.388 30 20 HCED N#Cc1ccsc1N1CC[C@@H](OC(=O)C2=NC=CN3CCS(=O)(=O)N=C23)C1=O 751623141 IXAHPUGBGLMGBM-LLVKDONJSA-N 419.444 0.238 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1CCS(=O)(=O)CC1 753579998 IIVOCADWJDUADP-GFCCVEGCSA-N 400.478 0.593 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cc1 757054049 PLQNFADSWYYTGF-GOEBONIOSA-N 413.521 0.046 30 20 HCED CCOCCS(=O)(=O)NCC(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 758352385 ZOIZGXRSZISNQB-UHFFFAOYSA-N 403.844 0.649 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCc1nc2ncccn2n1 768829968 JSXGRDIRDRYGDT-ZDUSSCGKSA-N 414.447 0.839 30 20 HCED C[C@@H]1OCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 771082718 LXWCSOCQKODAOI-GOEBONIOSA-N 421.475 0.359 30 20 HCED C[C@H](O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 780232295 KLHLTROFSMLMPK-WJULSAIHSA-N 422.507 0.667 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1OCCCOC)[C@H]1CCS(=O)(=O)C1 783479344 JAWFCPJGYOYISS-HNNXBMFYSA-N 408.476 0.689 30 20 HCED Cc1cc(N2CCC(NC(=O)C(=O)NCCNc3ncccc3C#N)CC2)nc(C)n1 787787994 SVPDGWKVXQYEFZ-UHFFFAOYSA-N 422.493 0.673 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(N)=O)C1 787911910 ZXCYDYLINRDPBT-UHFFFAOYSA-N 416.406 0.590 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)n1 789788637 KDNCINDLCQCADA-UHFFFAOYSA-N 422.449 0.414 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 792987334 WDIQASVRPORANR-UHFFFAOYSA-N 422.441 0.511 30 20 HCED N#C[C@@H](C(=O)CCn1cnccc1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 796761758 GCBANQNVBKFCEO-KRWDZBQOSA-N 424.417 0.599 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)c2F)c1=O 799934174 OSDNVBLJZYFLAB-UHFFFAOYSA-N 419.478 0.732 30 20 HCED CS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)cc1[N+](=O)[O-] 802028709 AAHRZDYYMXSSFX-UHFFFAOYSA-N 409.401 0.989 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCCNC(=O)NCCn2cnc(C#N)n2)CC1 805180387 JBFJLSZSIGLRGH-UHFFFAOYSA-N 406.491 0.392 30 20 HCED CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)N(C)CCC#N 914576950 JYCBMKJHZQQFCE-UHFFFAOYSA-N 409.512 0.874 30 20 HCED CCCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918246330 UZHMQQNVISLLIJ-PXLXIMEGSA-N 423.495 0.080 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 918413755 VEFBCSRWRJMVHM-OAHLLOKOSA-N 401.467 0.586 30 20 HCED Cc1cccc(C)c1OC[C@H](O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920301322 XEPMFNSHFMLQME-OAHLLOKOSA-N 417.487 0.898 30 20 HCED C=CCCO[C@H](C)C(=O)N1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1073582875 IVVVWSDOPDTUFH-AZQPHWPRSA-N 403.523 0.746 30 20 HCED CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1154571440 RTTHMIFIQQNCRW-KMFMINBZSA-N 423.491 0.842 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1 1228673389 MIOGTELWZIOZKC-UHFFFAOYSA-N 407.496 0.379 30 20 HCED CS(=O)(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1302428453 RNPTXVGYDFXWOG-OAHLLOKOSA-N 402.480 0.570 30 20 HCED CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1c(=O)[nH]cc(C#N)c1=O 1307359817 UZTVONKHIUBPQF-UHFFFAOYSA-N 409.324 0.524 30 20 HCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1 1316125636 MEOOIQRHXCBYRK-OAQYLSRUSA-N 412.494 0.737 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1359465909 NNWRYJHTHBGUPP-HNNXBMFYSA-N 403.487 0.359 30 20 HCED Cn1cc(-c2nn(C)cc2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1467797663 YXLFIWAPLLRWJK-UHFFFAOYSA-N 413.463 0.888 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1 1554504990 QMNDPCPEAZVZHQ-LJQANCHMSA-N 416.507 0.983 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1CCCO 1611319586 JKFKJFFLTQJAIW-IRXDYDNUSA-N 403.531 0.986 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cccc(C#N)c1 1669684670 PJXIWVXVMJUDOA-AWEZNQCLSA-N 400.478 0.688 30 20 HCED C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1708039774 SKDOVSHRPFNJLS-ADAWSYLGSA-N 409.512 0.460 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778462031 WQFPHEAIIUVQHR-NYPGBQQYSA-N 424.461 0.031 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)n3ccccc3=O)CCO2)C1 1778972361 SYLGNPLOCKAECK-PNLZDCPESA-N 417.506 0.812 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)C1(O)CCC1 1779014841 XOCDRAFEXGPHHC-QSPNRLKTSA-N 406.527 0.839 30 20 HCED Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)c1=O 1779014860 KEXRPWWRPUWXMH-PIUNUONSSA-N 415.494 0.301 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779092613 RZUSEKJMSPHCMJ-QFUCXCTJSA-N 407.511 0.235 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138920 JJUUIXBJMVCPMM-BPPVJHSKSA-N 418.494 0.833 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)ON=C(C)C)C2 1779535592 WUWTYPUNUKZMGO-KYFSNAEOSA-N 422.526 0.992 30 20 HCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)c(Cl)c1 1781105299 ZUAWJBGNXCRVRQ-DNVCBOLYSA-N 407.854 0.650 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4ncccc34)CCO2)C1 1781400927 RLNGEDYECIHMHA-QRWLVFNGSA-N 414.466 0.974 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CSC3=S)CCO2)C1 1783119314 USWONXPHMQGVJU-SCLBCKFNSA-N 411.549 0.889 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nsnc3NC)[C@H]2C1 1783519051 MFVDPLXOTXCPOI-RFGFWPKPSA-N 409.512 0.764 30 20 HCED COc1ccc2[nH]cc(C(=O)N3CCO[C@@]4(CCN(C(=O)C#CC(=O)O)C4)C3)c2n1 1783566513 CVHTVSHQTRTVOJ-HXUWFJFHSA-N 412.402 0.103 30 20 HCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(N)=O)C[C@@H]32)c1 1783916051 UDGCDVRBOFYOJI-FHWLQOOXSA-N 412.490 0.736 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CCC)NC(C)=O)C[C@@H]21 1784486709 KLGIIMLZGSDDGV-HZZCBIDNSA-N 407.511 0.309 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](O)[C@@H](C)CC)[C@H]2C1 1784553706 HNVUNNNGGJYSJQ-QCGYCXEESA-N 410.511 0.883 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@](C)(O)C(F)(F)F)[C@H]2C1 1784872452 DWHBCVWVQYFSOB-DEEHTKSCSA-N 406.401 0.318 30 20 HCED C=CCSCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1785016653 DMSPOVUAWUCLQG-DZKIICNBSA-N 408.524 0.941 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1785335162 UDHSLDYKELSRMV-IERDGZPVSA-N 423.510 0.769 30 20 HCED COc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)cc1 1786421733 JCXRRIYOIMPKNJ-WDSOQIARSA-N 414.458 0.696 30 20 HCED 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HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1839686238 NIMCNIPVMYHAJX-IIYDPXPESA-N 404.485 0.323 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1839889655 HPCWRTGMCAMLKF-QGZVFWFLSA-N 412.393 0.051 30 20 HCED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cc1C 1840158186 HFTCCOKZMHRAOW-IFXJQAMLSA-N 409.508 0.787 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cn4nc(C)sc4n3)C2)C1 1840171403 DVRPCDKDWRUELW-LJQANCHMSA-N 419.507 0.674 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1cccn1 1840816080 OFDLXTBVLRMVKO-OXQOHEQNSA-N 401.467 0.594 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938347 OTRICUIUINONCN-NQIIRXRSSA-N 409.527 0.520 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)ON=C(C)C)C2 1841582194 MUWBFJCAIFQCDY-KBPBESRZSA-N 402.517 0.319 30 20 HCED O=C1NC(=O)[C@@H](CC(=O)N2CCCC23CN(C(=O)/C=C/C(=O)c2cccs2)C3)N1 1841959676 FKEPDHSVJPPFSB-ZYOFXKKJSA-N 416.459 0.289 30 20 HCED O=C(O)c1cc(C(=O)N2CC3(CCCN3C(=O)/C=N/N3CCCCC3)C2)ncn1 1844258607 WWCPYEJSBFGSSU-LSHDLFTRSA-N 400.439 0.464 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)CCn2ccnn2)C3)c(C#N)c1 1845139867 NZABEVLNFYOKAM-UHFFFAOYSA-N 408.462 0.995 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)N1 1847940149 PHOQMESAWBDQKN-WCVJEAGWSA-N 420.510 0.936 30 20 HCED C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 16711080 GOZZMGJPGKOSCH-WFASDCNBSA-N 407.448 0.730 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(NC)c([N+](=O)[O-])c1 16865336 MSXMAYBLNOQSKG-JTQLQIEISA-N 400.413 0.149 30 20 HCED C=CCNC(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 19419963 ZNTOCNLAGOAWKD-FQEVSTJZSA-N 401.419 0.457 30 20 HCED C=CCc1ccc(OC[C@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 32772217 CZHZKMMKNZXLDW-RTBURBONSA-N 424.563 0.968 30 20 HCED N#Cc1ccnc(N2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)c1 52508924 ZXVKYLKWUUMCKF-UHFFFAOYSA-N 408.462 0.256 30 20 HCED C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCOCC)cc2)CC1 145305484 KFFNKVVJMMHOQC-UHFFFAOYSA-N 411.524 0.710 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 426162969 ULXUSARYZVPSEK-LSDHHAIUSA-N 403.449 0.679 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O 438724221 PVLQAOURHMJNMO-QGZVFWFLSA-N 410.430 0.735 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CN(c3ccccc3)C2=O)cn1 441337861 VOMZZWUGROPFHM-MRXNPFEDSA-N 401.386 0.609 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 444314465 PIXQZLZYHCJMMH-XJKSGUPXSA-N 413.521 0.651 30 20 HCED Cc1c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 461281261 IKBZGEGYWXMKCR-UHFFFAOYSA-N 416.401 0.645 30 20 HCED COC(=O)c1cn(C2CN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C2)nn1 466893814 KNDLRWKCFGASHO-UHFFFAOYSA-N 410.369 1.350 30 20 HCED C[C@@H](C(=O)N[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)C(C)(C)C)n1cnc(C#N)n1 467774495 YQCDIYKHHVZSNR-FRRDWIJNSA-N 412.458 0.082 30 20 HCED Cc1c([C@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C)cnn1C 469790610 KRDDDQNQELFCHN-OXQOHEQNSA-N 407.478 0.863 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 473337832 DELZYJXMTJPHPP-UHFFFAOYSA-N 421.413 0.744 30 20 HCED Cn1cc(N2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2=O)cn1 473859600 OURQBYCSLVGKQJ-GOSISDBHSA-N 406.446 0.658 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 476042432 RKCOROJZLLAFCL-QGZVFWFLSA-N 404.492 0.543 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476185701 BFOFBLWUTNIRSX-SJORKVTESA-N 404.492 0.589 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 479819762 BFDZHVLGHHIBBG-LBPRGKRZSA-N 422.488 0.189 30 20 HCED COC(=O)[C@H]1C[C@@H](OC)CCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 481250914 DIAGQJIAXGKCBL-GOEBONIOSA-N 405.455 0.156 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H](C)CN2CCN(C)CC2)c(C#N)cn1CCOC 481472602 FDQIERURGBHUGO-OAHLLOKOSA-N 420.514 0.940 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1 485684610 RCRKADVFPPYMBC-CVEARBPZSA-N 420.491 0.277 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2CC)CC1 489129380 OSVYJPQQXXNAMV-UHFFFAOYSA-N 410.543 0.905 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2=O)cc1 490273961 SELGEGVXUNLEQY-INIZCTEOSA-N 403.398 0.619 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 491485832 NLLCXMWENOQOHR-UHFFFAOYSA-N 406.464 0.923 30 20 HCED N#Cc1cccc(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c1 501969249 FWGSGTGQMUOUSO-KRWDZBQOSA-N 413.521 0.514 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 509003628 YJGMAQCGOVUBLX-HNNXBMFYSA-N 411.466 0.939 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(=O)n(C)c1=O 511358420 IHRSRFFAZUOPCU-UHFFFAOYSA-N 422.438 0.327 30 20 HCED CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 512467144 ACTWGUYFNPSKML-IBGZPJMESA-N 419.551 0.650 30 20 HCED COc1nnccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 518250798 BAILIIDCAPNIJB-UHFFFAOYSA-N 402.436 0.895 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cccc(OC)c3)c2=O)cn1 523860026 SABUGGXHKVKREF-UHFFFAOYSA-N 409.471 0.373 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccncc2)c1=O 527279925 AMFXVLYPAPGWCV-INIZCTEOSA-N 413.499 0.840 30 20 HCED COCCNC(=O)CN1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 532745789 UYFBLFQPCLYMTJ-IDYZSHNDSA-N 407.559 0.686 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCO1 541967426 NYCYHBPLYRSJEG-CYBMUJFWSA-N 414.340 0.411 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)C1=O 544726967 ZYYRLALXOVAYNC-WBVHZDCISA-N 408.476 0.961 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)CC1 549698068 DZLPJXDFDZTUFA-CQSZACIVSA-N 408.532 0.525 30 20 HCED COCCN(C)CCN1C[C@H](NC(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1=O 552106011 RQFQIWODGBSMCJ-MRXNPFEDSA-N 417.510 0.504 30 20 HCED C[C@H]1C[C@@H](C)CN(CCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 559792200 GOTWXPBHLBJMHN-GASCZTMLSA-N 403.531 0.739 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)n1 560194533 FDRWPBPHUQQRDM-KBXCAEBGSA-N 410.409 0.995 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O 560877026 YTJRLVXCMVISFX-KRWDZBQOSA-N 423.477 0.172 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)C2=O)cc1 561704816 UHLZVGYALAXRPI-QGZVFWFLSA-N 409.446 0.003 30 20 HCED N#Cc1cc(NC(=O)C(=O)Nc2ccn(CCC(N)=O)n2)ccc1OC(F)(F)F 562144774 NICDYPFOMGYPRQ-UHFFFAOYSA-N 410.312 1.106 30 20 HCED CN(CC(=O)NCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 566882565 QYHFGDBYSBVPPV-UHFFFAOYSA-N 414.487 0.954 30 20 HCED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 569875847 IAFXFKACWGBHJC-UHFFFAOYSA-N 416.862 0.636 30 20 HCED CCC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1CCOC 570441327 LTDDTBLYKMWQDM-KRWDZBQOSA-N 408.524 0.796 30 20 HCED CCc1cnc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 572873178 HPUITHTUPPTWOS-UHFFFAOYSA-N 401.496 0.584 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cc2)ccn1 574849468 QRBQBCODYBDACD-IAGOWNOFSA-N 409.402 0.833 30 20 HCED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nn1 580085838 VONZRYSUAOOUHC-UHFFFAOYSA-N 410.312 0.710 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1cccc(C#N)c1 587741194 PVTLQGJRRHPXAX-WMLDXEAASA-N 404.492 0.762 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cc(O)cc(C#N)c2)c1 589180080 UWSFBNAVTWJEEH-NSHDSACASA-N 402.432 0.929 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590054767 WCUWTMYGHXTDIL-RHSMWYFYSA-N 403.439 0.736 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)nc1 604227175 VARCFBNMBVTLRR-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1 728532810 KYBJBQBBICMBKV-QGZVFWFLSA-N 412.490 0.250 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 729371209 IOYKJUPOQKYAJQ-UHFFFAOYSA-N 416.375 0.868 30 20 HCED Cc1ccc(C(=O)NCCS(=O)(=O)C(C)(C)C)cc1S(=O)(=O)NCC#N 733176206 PGXHTEANFCZXQT-UHFFFAOYSA-N 401.510 0.740 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(CC(C)(C)CN(C)C)c2=O)cn1 743728427 QMQAYCXDKUYLCK-UHFFFAOYSA-N 414.535 0.367 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 747880270 DUHUFWKLWSOFQQ-UHFFFAOYSA-N 419.503 0.546 30 20 HCED COC[C@](C)(CC(=O)OC)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 749430902 YYOQQLMSSVNWHN-XIKOKIGWSA-N 411.480 0.588 30 20 HCED C=C(C)[C@@H](CC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1)OCC 755565128 CDNSASVTCQJNAM-LSDHHAIUSA-N 408.542 0.019 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 756894217 JJSKYTPASMVXLJ-RRFJBIMHSA-N 414.528 0.923 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2csc(S(N)(=O)=O)c2)C1 757596127 UUWCXZOHAUZDRF-QWRGUYRKSA-N 400.482 0.884 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(CC)o2)c1=O 758061674 JAENJWWMMIMEDG-UHFFFAOYSA-N 424.526 0.366 30 20 HCED N#C[C@@H](C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)NCc1ccccc1 766255452 MHRGWMHUFPSLIQ-SFHVURJKSA-N 420.473 0.931 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 767635923 HHBFZDDQDBIELI-KPZWWZAWSA-N 404.448 0.577 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1CCc1ccccn1 767882354 FPUIXVOKKBFWJB-UHFFFAOYSA-N 423.523 0.786 30 20 HCED CCCOc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 771893309 YQRCCMISSCWXRX-UHFFFAOYSA-N 410.452 0.194 30 20 HCED C=CCS(=O)(=O)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 772716821 IOTJSVYDQLPJGN-LBPRGKRZSA-N 414.461 0.256 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CCCC#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 776121107 DTMJXRBJXHFVLI-FRRDWIJNSA-N 401.510 0.643 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCc2c(C)nc3nc[nH]n3c2=O)cc1 777363170 XFTVQVDBXHWNAW-UHFFFAOYSA-N 415.431 0.037 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccnc2N2CCOCC2)c1 783454789 KRLXIASFNDHCGK-UHFFFAOYSA-N 421.457 0.935 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CC1 784918153 GDZBRIIFGBEABQ-UHFFFAOYSA-N 412.490 0.923 30 20 HCED NC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785024982 UEYCKECHHVWYKF-AWEZNQCLSA-N 405.407 0.504 30 20 HCED COC[C@H](C#N)OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 785104677 WAQUEEIVLLFIKA-AWEZNQCLSA-N 410.448 0.940 30 20 HCED C=C(Br)CNC(=O)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 787063952 ADINTAIRLNNCFZ-GFCCVEGCSA-N 413.194 0.701 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C(=O)N1c1ccccc1 787756080 NSRMMHQFUFJLIY-YOEHRIQHSA-N 406.446 0.792 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1CCCO1 788032282 YMGMCICISMLFPY-OALUTQOASA-N 402.470 0.361 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OC 796459234 OZWMZPZTSASFTM-CQSZACIVSA-N 410.448 0.714 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1)C(C)C 799273445 WESBLYWZYDDQIF-GOSISDBHSA-N 420.535 0.725 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 799286886 KTXSTAGCVDWGPM-WBVHZDCISA-N 421.519 0.936 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 800781688 BEQXCDYUYNTVRN-STQMWFEESA-N 400.505 0.789 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)c(F)c1 802570061 GXLMBDWXUKUEAU-LBPRGKRZSA-N 400.403 0.547 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 807674535 MOEISVINIHBXBM-INIZCTEOSA-N 401.511 0.376 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 810784120 SDXXVYXIEAKUII-MJBXVCDLSA-N 400.522 0.753 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H]3C[C@H]32)cc1 815696009 UUGZMRSTUDEPKY-RQZSCTENSA-N 406.464 0.438 30 20 HCED CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)c1cc(C#N)cc(N(C)C)c1 815897126 IATZZVGKVXPLCD-UHFFFAOYSA-N 401.448 0.840 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)cc1 915625072 HVFCBFJKUPXAHK-GOSISDBHSA-N 405.520 0.971 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NC(=O)c2cccs2)c1 916422974 VVFGYVRSVBHXTL-UHFFFAOYSA-N 407.429 0.398 30 20 HCED COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 916929957 FFPOGFAKHONAAC-LBPRGKRZSA-N 407.386 0.602 30 20 HCED CCOCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918239835 KLTSXOSBVNKGTR-PGMHBOJBSA-N 410.496 0.981 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1CC(=O)N(C)C 918729371 BLOIEUAGDHIXST-UHFFFAOYSA-N 410.499 0.112 30 20 HCED N#C[C@@H](C(=O)NC1CC1)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919667018 PPSYKWAYQQBDCD-UKRRQHHQSA-N 417.443 0.611 30 20 HCED C[C@@H](CC(=O)N1CCC(S(C)(=O)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1116275599 VTXYRGPRBIBCKV-LBPRGKRZSA-N 413.521 0.539 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1147668591 LZJYOPSFWRWCPL-UHFFFAOYSA-N 411.505 0.109 30 20 HCED N#C[C@H]1CN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCO1 1190840355 ZYWREPNHRVLWCM-SFHVURJKSA-N 422.507 0.495 30 20 HCED Cc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)n(C)n1 1290566091 XLZNDONSULWLPH-KRWDZBQOSA-N 411.514 0.683 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCC(=O)N(C)C)CC2)c1C#N 1290578202 WPYJIHWVANKKNP-UHFFFAOYSA-N 411.514 0.874 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 1317697933 HZXHDPSHVMXYDD-SFHVURJKSA-N 411.480 0.961 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCOCC2)nc1 1322733373 VVCZTFUEMRQIJV-ISLYRVAYSA-N 400.439 0.244 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1323281749 BPIFLAZJLYUQFH-UHFFFAOYSA-N 409.511 0.827 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 1323625747 QITGTJJNGHJJKZ-KXBFYZLASA-N 418.475 0.310 30 20 HCED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 1352007733 DZBFWGAGOGRQFY-UONOGXRCSA-N 417.557 0.274 30 20 HCED 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C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1833075112 UQRDDHGQBZJXIB-SUOACNAWSA-N 418.538 0.187 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(-c3cccnc3)c1)CCO2 1833624490 RUHIFUBINQHOBH-JOCHJYFZSA-N 423.473 0.751 30 20 HCED CN1N=C(C(=O)NC2CCN(C3CCN(C(=O)C(C)(C)C#N)CC3)CC2)CCC1=O 1833688469 PZRZRGYJLSFNAW-UHFFFAOYSA-N 416.526 0.716 30 20 HCED CN(C)c1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)o1 1833899189 IZECARFWELWCBC-IBGZPJMESA-N 403.439 0.114 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn(C)c1C)CCO2 1834430030 ODOWPBIOLMGVGD-OAQYLSRUSA-N 402.495 0.992 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599698 LJQJCZSNYHIYKE-INIZCTEOSA-N 404.515 0.309 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(=O)cco3)CCO2)C1 1834601700 YETIOYLCUWZEQX-VQIMIIECSA-N 410.492 0.664 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4sc(N)nc4c3)C2)C1 1834758192 HTUHCPMFMRYOFV-LJQANCHMSA-N 415.475 0.862 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnc(N)s3)CC2)CC1 1834764591 SPEPJFSMYGGNIZ-AWEZNQCLSA-N 419.551 0.949 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3nc4ncccn4n3)CC2)CC1 1835352271 JMDSQSXGTAQFCH-CYBMUJFWSA-N 417.539 0.628 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4ncnn4c3)CC2)CC1 1835633170 RJVFYAMSWSQTRB-UHFFFAOYSA-N 424.461 0.003 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CCc4nc(N)n[nH]4)CC3)CC2)C1 1835666200 NPFXMVRPHCQNTD-UHFFFAOYSA-N 415.542 0.857 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)NC1CCN(C2CCN(C(=O)CNC(N)=O)CC2)CC1 1835684504 SMYHGHUFUCILDG-SFHVURJKSA-N 405.543 0.995 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3ccsc3n1)CCO2 1837045136 OGEZZTGHHRWLAJ-HXUWFJFHSA-N 414.487 0.879 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838906507 NDFXGYVVMWFAEK-NRFANRHFSA-N 409.446 0.676 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)ccc1O 1838975380 JESKXXDRTKAGIY-ORAYPTAESA-N 410.492 0.789 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839649379 NABYERZNSWUWBE-HXUWFJFHSA-N 417.466 0.121 30 20 HCED C[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1840026617 PADDECILOFOWOT-XOBRGWDASA-N 405.426 0.077 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273072 LIHCAQWHOUBDOL-FRVUEHSBSA-N 410.511 0.585 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1840293506 FYHKVVCQEQEHMT-PIIWDFAUSA-N 412.552 0.795 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1840295249 DFFLUVWICKCRRT-HXUWFJFHSA-N 403.483 0.318 30 20 HCED CC(=O)c1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n[nH]1 1840813104 DQMOLWMFWHDALA-HXUWFJFHSA-N 415.450 0.376 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCSCC3)CCO2)C1 1840923074 MJBFLRWNSWWTII-UZLBHIALSA-N 410.536 0.624 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1)C2 1841582389 SFHLYPNVDBRSHJ-CQSZACIVSA-N 404.492 0.703 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1841606961 LDOFHYTWIGHBOK-LSDHHAIUSA-N 411.499 0.667 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 1841999788 HECREFWIKJZIPK-BSNPHMGVSA-N 420.426 0.524 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccccn2)CC1 7098784 GJCBGCJQQFDVCU-UHFFFAOYSA-N 414.443 0.643 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 16557846 AYSZDNPTJXBLSW-UHFFFAOYSA-N 407.448 0.523 30 20 HCED CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 23694452 RSCUCHGOBCWSMH-UHFFFAOYSA-N 405.524 0.029 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 28202049 JBUKDZAWUPPTSP-UHFFFAOYSA-N 420.535 0.797 30 20 HCED O=C1CNC(/N=C(\O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)=N1 50222935 VISATOXQUVTCDY-UHFFFAOYSA-N 410.452 0.739 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 409551294 HPQXBXDYNIDIFH-CYBMUJFWSA-N 410.525 0.210 30 20 HCED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)NCCF 409923008 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C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 464730288 ITPLAWYMHVYQMC-OAHLLOKOSA-N 409.512 0.853 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)C1=O 468360113 MZNLEEZDWLYMFB-UHFFFAOYSA-N 418.837 0.488 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)CC2)cc1 470247268 MIRMGNUHBKBQQU-WBVHZDCISA-N 420.491 0.108 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 484683386 WOAOMVYZUDLUCQ-UHFFFAOYSA-N 417.478 0.932 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C2)nc1 490238491 CYWUYGHKQUSOIM-HNNXBMFYSA-N 412.450 0.981 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc1 498052911 ABZGZTXCOCFADM-UHFFFAOYSA-N 415.475 0.907 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 501894602 PBVBZNIWURMYGC-GOSISDBHSA-N 406.508 0.999 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CSCC(=O)N3CCOCC3)CC2)c(F)c1 505424874 HPNBCBGSZDMDHE-UHFFFAOYSA-N 406.483 0.938 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(C)cnn2C)c1=O 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HCED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 567040106 SBASAZIOCHGPGU-UHFFFAOYSA-N 417.462 0.661 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)C[C@H](C)O1 569859559 XKXOMGAQLCERSL-GJZGRUSLSA-N 422.573 0.228 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 577022157 XFNWYFDJTDUNDO-UHFFFAOYSA-N 401.467 0.422 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 578050207 RLDZDXDADBEHME-WQVCFCJDSA-N 400.483 0.718 30 20 HCED C[C@H](C#N)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 582523413 UCDMHGCTCUEIOP-ZYHUDNBSSA-N 420.413 0.894 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)cnc2n(C)c1=O 588834471 KXZOAFQVAKVSNQ-UHFFFAOYSA-N 416.401 0.524 30 20 HCED CSc1nc(O)c(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1C#N 609551186 MUDCYHJJKMAJPS-LBPRGKRZSA-N 414.509 0.599 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)cc1 610560430 CMWHECRYZBFPNI-UHFFFAOYSA-N 404.452 0.839 30 20 HCED 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CN(C)C(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1298003652 LICXJNYPVRXQJN-CYBMUJFWSA-N 422.449 0.009 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359082896 WTSRMYJTQVRWGX-NEPJUHHUSA-N 424.303 0.694 30 20 HCED CO[C@@H]1CCOC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1471441058 WKAPWAWVVYQJHW-IAGOWNOFSA-N 408.480 0.378 30 20 HCED COC(=O)c1cccn(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1=O 1532608256 WGNVXUCGDVKMHC-ZDUSSCGKSA-N 404.423 0.606 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 1540077305 JHFGWJYPZRRYTH-UHFFFAOYSA-N 421.475 0.467 30 20 HCED CC(=O)N1CCN(CCn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1596283165 WPIPVDWXKPEQJX-LJQANCHMSA-N 409.494 0.838 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)NC(C)C)o1 1612046322 VGDQMZSDOYLIMH-CQSZACIVSA-N 408.484 0.903 30 20 HCED CN1CCO[C@@H]([C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(Cl)cc2)C1 1632037994 XJZAEYUEXDIGOU-NVXWUHKLSA-N 417.853 0.662 30 20 HCED 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HCED C=CCOCCCC(=O)NC[C@@H]1CCN(C(=O)CNC(=N)N)[C@H]1c1cccnc1 1803555090 SVTYXKVICDHSFN-LPHOPBHVSA-N 402.499 0.553 30 20 HCED Cc1nn(C)c(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1F 1805152116 REZDHGQIVMYQBR-KBXCAEBGSA-N 413.409 0.670 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806280766 NXTCVNCOLJBWEN-UKPHBRMFSA-N 407.496 0.329 30 20 HCED N#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H]1c1cccnc1 1806872003 UPDFNJUKUIRSKT-LZLYRXPVSA-N 404.492 0.968 30 20 HCED O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@H]1c1cccnc1 1813176424 VHXNYGDTQFQHPV-VGSWGCGISA-N 406.442 0.426 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCn2ccnn2)[C@H]1c1cccnc1 1813426961 GUDWIAFFNLTDQA-YVWKXTFCSA-N 410.478 0.808 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1CCc2nc(NC(=O)CCN(C)C)sc2C1 1814538777 PAJFDDBGLQCQOR-MEJMFZKBSA-N 405.524 0.865 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc3cn[nH]c3cn1)CC2 1825667796 XIFSWPSOSXUPCK-SNVBAGLBSA-N 410.415 0.728 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)n3cnnn3)sc2C1 1826977238 AUDAQZQZRLBSAQ-SUNKGSAMSA-N 419.511 0.876 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCCO3)CCO2)C1 1829919599 ONFOTJZDSBCTRG-WWMYMODYSA-N 410.511 0.585 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccccn4n3)C2)C1 1830055844 FURWALZMCPWYES-HXUWFJFHSA-N 412.450 0.349 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830628885 AJJIHFBAINMBCJ-JXFKEZNVSA-N 404.467 0.363 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cn2ccncc2=O)CC1 1831103086 RCKDTXARBPLEHU-MJGOQNOKSA-N 414.506 0.901 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1831402213 QVCXYGAWGQGCHH-DKLJTFSYSA-N 406.479 0.049 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)NC(C)=O)CC1 1831423344 MKUWLJDQMRIJCH-JCRZBSBLSA-N 418.538 0.989 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1831426521 MKDIHMBGSKRABS-KUHUBIRLSA-N 424.885 0.791 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1 1832458757 ZLMAZLHIMANOHK-FXAWDEMLSA-N 411.568 0.704 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1833338960 FKNGTSROXOTTNA-OAQYLSRUSA-N 414.462 0.523 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3cccn3)CC2)CC1 1833464352 DVPJMATYGYTMMV-KRWDZBQOSA-N 401.511 0.493 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)CN3C(=O)CSC3=S)CC2)CC1 1834403522 IYIYULFZJIFFEA-UHFFFAOYSA-N 423.564 0.332 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834526589 YQTCVDQQDSTOAR-ROUUACIJSA-N 420.554 0.410 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4cc(O)ccc4n3)C2)C1 1834760391 LRRANRJYZJQXLE-NRFANRHFSA-N 410.430 0.924 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1835675228 YHQTVNUZLXUKGE-HXUWFJFHSA-N 403.483 0.028 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1835677857 YYXSJHWKVPLXIX-KDOFPFPSSA-N 414.453 0.380 30 20 HCED CC(C)N[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)C 1835893048 PJQUKONNUQJINE-IFMALSPDSA-N 405.539 0.879 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836136152 MJXKMIHQZZCUCA-HXUWFJFHSA-N 405.499 0.727 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3ncnn3C)CC2)CC1 1836858114 DPQDPIHQCQJZDM-HNNXBMFYSA-N 403.483 0.466 30 20 HCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836863573 KIUJBGRQRMQBOV-UHFFFAOYSA-N 420.510 0.844 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=NNC(=O)C3)C2)C1 1837310517 VPXUSEOWHOEMTC-MGPUTAFESA-N 404.467 0.087 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837392745 HEYDPQZILQFXLN-LAUBAEHRSA-N 420.510 0.372 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493626 NHLWYMIXBGFEPS-LAUBAEHRSA-N 408.495 0.176 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838397775 CTWPWRKHSFQTQJ-HNAYVOBHSA-N 408.455 0.854 30 20 HCED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839418912 AVMOFBVLXTVYLR-PXNSSMCTSA-N 405.426 0.538 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)[C@@H](C)CC)C2)C1)C(F)(F)F 1839892384 LAXQUAMBIMTUAC-DXCKQFNASA-N 407.433 0.935 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)CNC(=O)c3cccs3)C2)C1 1840172203 YWRFMSJWJQLQIT-LJQANCHMSA-N 407.492 0.510 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n1 1840345279 GJJKDNBLBGBBAZ-JOCHJYFZSA-N 414.506 0.760 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Oc1ccccn1)CCO2 1840427827 SNDBXICFDGUDRE-DOXZYTNZSA-N 409.508 0.624 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)c(F)c1)CCO2 1840781947 VKDUYRQNXXLINF-JOCHJYFZSA-N 416.449 0.801 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(=O)C2)CCO3)c1 1840834534 RZSSEAMJYRJGPQ-QFIPXVFZSA-N 411.458 0.916 30 20 HCED CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1841586483 XOXZFTCPZOXSRU-UHFFFAOYSA-N 407.467 0.878 30 20 HCED CC(C)(C)OC(=O)N1C[C@]2(C(=O)N3CC4(CCCN4C(=O)CC#N)C3)C[C@H]1CO2 1842623144 KLBOVUFSNFLKJK-XOBRGWDASA-N 404.467 0.882 30 20 HCED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)CNCP(=O)(O)O)C2)c1 1842873211 WRJKLYDQUWNIHV-UHFFFAOYSA-N 420.406 0.419 30 20 HCED CC#CC[C@H](C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CCC(N)=O)C1)c1ccccc1 1842880473 QJRJCKWCTYWYRI-OALUTQOASA-N 410.518 0.980 30 20 HCED O=C(C#Cc1ccccc1)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413619 MCOXJKMZEQIUKC-UHFFFAOYSA-N 415.515 0.667 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1 1843418485 AKTJLBNXEIBBNH-MOEXGYKKSA-N 421.475 0.755 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206549 BXOSWDPKZSQILB-KLWSLPJISA-N 421.372 0.824 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1CC(=O)N(Cc3cccs3)C1)C2 1846194779 OMKWWXARKMJPGL-CQSZACIVSA-N 415.471 0.388 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CSC(=N)N)C2 1847070530 YVVSUGISPQTCIC-CYBMUJFWSA-N 423.539 0.733 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847766702 IWNCDRZEWOJISA-KKUMJFAQSA-N 408.499 0.794 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(C)(C)n1nc(C)ccc1=O 1847805022 OLSRYCKVTADJBF-IKGGRYGDSA-N 400.479 0.527 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 410399154 DEKNLIYFTUJQDM-OAHLLOKOSA-N 409.578 0.307 30 20 HCED N#CCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 426006382 WHXJMRWSPAAHEW-UHFFFAOYSA-N 421.523 0.749 30 20 HCED CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCC2CCN(CC#N)CC2)c1 427809700 VUNFUVNXOUWBFM-UHFFFAOYSA-N 400.526 0.451 30 20 HCED C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1(=O)=O 429532928 FISZRKOJUBTEBX-HZPDHXFCSA-N 410.565 0.966 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 430392088 IKLILBZVGOPKEQ-AEFFLSMTSA-N 423.535 0.829 30 20 HCED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1C(=O)OC 441870930 QVKSIUVAGWIPSD-ZWNOBZJWSA-N 402.375 0.952 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H](O)[C@H]1C(=O)OC 444738802 STZXNNYIJVBMKW-WMZOPIPTSA-N 406.483 0.950 30 20 HCED CN(CC(=O)N1CCC(C)(C)S(=O)(=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 446479991 NCJIMFGSNSPYPO-UHFFFAOYSA-N 413.521 0.604 30 20 HCED COCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475553298 OFRJSPHAOGTGCY-UHFFFAOYSA-N 401.510 0.621 30 20 HCED COc1c(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(C)nn1C 480123364 DRRMVCYHGBCMKM-UHFFFAOYSA-N 410.478 0.569 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OC 481581063 VMZOLYSDHGXNJV-HNNXBMFYSA-N 418.493 0.150 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 488328000 WEQWILJDASPHFP-ZQIUZPCESA-N 414.462 0.622 30 20 HCED Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3cnc(C)c(C#N)c3)C2)cc1 489887343 MQHDJNJWJCHPNA-UHFFFAOYSA-N 406.489 0.922 30 20 HCED CC(C)C(=O)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 490727726 CFQLFPMSWWUUHT-UHFFFAOYSA-N 409.450 0.463 30 20 HCED C=CCNC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)nc1 492908326 BCOQPOQIUAOXQB-HZPDHXFCSA-N 423.539 0.473 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 503184656 JJYMICCWMMMBFK-GFCCVEGCSA-N 422.488 0.361 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)C2 505099736 WLDYMNUZJBJDHO-UHFFFAOYSA-N 423.355 0.074 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@@]2(CCCOC2)C1 506222427 HUQUNIHHTLYXAW-FQEVSTJZSA-N 410.434 0.794 30 20 HCED N#CCC1(O)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 506378391 PPNZUBCJYIMDMS-HNNXBMFYSA-N 408.436 0.625 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 512408202 CHDZTUZLBMZLDP-MSOLQXFVSA-N 413.588 0.473 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(CC)n2)c1=O 516373515 VCGRJLXGHZNCMD-UHFFFAOYSA-N 418.544 0.701 30 20 HCED N#CCc1ccnc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 531924408 WBQYTRRJOCXOLL-UHFFFAOYSA-N 401.448 0.884 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 539582474 IPJDICMZXZZEBW-ZDUSSCGKSA-N 408.480 0.033 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOCC2(CCOCC2)C1 542450811 KJHBCJGKJYFWJP-OAHLLOKOSA-N 407.492 0.881 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2cc(C)ccc2Cl)c1=O 542740419 WOKCMPDRPLJGGQ-AWEZNQCLSA-N 407.854 0.945 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1C(=O)CCC1=O 543216977 BURBYIGFGZISIK-UHFFFAOYSA-N 402.407 0.177 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 547416621 NFESWZWBGWYESQ-GFCCVEGCSA-N 423.472 0.518 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 551000917 VNZVBOUPCZMFPD-AZUAARDMSA-N 415.538 0.937 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 554679481 ZPLCGSYVGKXIDG-CRAIPNDOSA-N 407.540 0.677 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 562886057 JBXLWZJDMPREFB-ZDUSSCGKSA-N 414.853 1.463 30 20 HCED CN(C)C(=O)c1cccc(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 574325466 AVOVECMJXFDXEY-UHFFFAOYSA-N 414.487 0.897 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1=O 575007830 QOOLFZMCTKRHNH-RBUKOAKNSA-N 414.506 0.421 30 20 HCED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 578158806 MTQYQQQYWUHIIT-UHFFFAOYSA-N 413.413 0.647 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)C1=O 579263591 ACMKQXLZZNWBOX-ZWKOTPCHSA-N 402.495 0.659 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 579536838 NPYPHEUXNKJBJC-CRAIPNDOSA-N 407.492 0.520 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3cnc(C4CC4)nc3)CC2)nc1 580797681 FSJULBIMQLUACF-UHFFFAOYSA-N 405.462 0.628 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 584134792 DKNONOIMDHXSKU-SFHVURJKSA-N 420.473 0.553 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)CC1 588126209 DGGFODMBYLFWKC-UHFFFAOYSA-N 417.897 0.615 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O 588801463 HHATYCZKQRKKCQ-UHFFFAOYSA-N 420.372 0.226 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1C 603923122 OYZUDHSSIHYWOC-UHFFFAOYSA-N 411.405 0.731 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCO1 609283096 YIESWHYTMHHWGD-INIZCTEOSA-N 420.491 0.941 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 678754367 CESNMPBUKUPUBQ-INIZCTEOSA-N 402.495 0.704 30 20 HCED COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NC2CC2)cn1 726887663 JCVVOGHPMTUNDZ-AWEZNQCLSA-N 417.491 0.969 30 20 HCED Cc1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1S(=O)(=O)N1CCOCC1 729806909 QCPSVSGDSVEZND-UHFFFAOYSA-N 419.463 0.523 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C#N)cn2)C1=O 730891934 AAHWJUUTZYGDED-HXUWFJFHSA-N 407.386 0.999 30 20 HCED CNC(=O)CNC(=S)NN=C1C(=O)Nc2c(Br)cc(Cl)cc21 735615947 TWQGVHCCTUDODX-UHFFFAOYSA-N 404.677 0.969 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCN2C(=O)NC3(CCCC3)C2=O)cc1 741830748 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0.953 30 20 HCED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@@H]1CCCO1 775323523 JTPBXJXSDJBPKG-OALUTQOASA-N 419.503 0.450 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)ccc2C)c1=O 777946127 YHYFVPOGQKFYNW-AWEZNQCLSA-N 413.474 0.645 30 20 HCED CC[C@H](NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787039091 QCDXHOMYUCTVCM-GJZGRUSLSA-N 422.445 0.410 30 20 HCED C=CCOC[C@@H]1NC(=O)N(c2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)C1=O 804204971 CZYVAGBYLXAQJV-SFHVURJKSA-N 415.494 0.524 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)C1=O 804265128 HWDDQWODTBOSDG-HUUCEWRRSA-N 408.499 0.747 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1cccc(OCC#N)c1)C(F)(F)F 807303765 SOVGNFPJCHKUMH-GFCCVEGCSA-N 422.385 0.466 30 20 HCED COC(=O)C(C)(C)CS(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 811142856 YTTCBEYVZARQHM-UHFFFAOYSA-N 421.479 0.796 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 854128412 HBTDRDZVEDDGRM-CYBMUJFWSA-N 403.460 0.529 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 915071858 CAPHLQVKBDRVGK-UHFFFAOYSA-N 415.450 0.844 30 20 HCED CC(=O)N1CCC(NC(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)CC1 1116157709 GTIGSOBJNPTKOM-UHFFFAOYSA-N 417.510 0.412 30 20 HCED COC(=O)c1cccn(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1=O 1156592579 YTPHPPCZXYRROQ-QGZVFWFLSA-N 408.414 0.424 30 20 HCED N#Cc1ccccc1N1CCC(NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 1221550990 LYXQCKMALHDOBY-UHFFFAOYSA-N 421.523 0.488 30 20 HCED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@@](O)(CC#N)C1 1307873514 GQLIVMZITZAGLE-INIZCTEOSA-N 401.510 0.061 30 20 HCED CN1CC[C@](O)(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1314927457 KRXUDWLYFBNERA-OXQOHEQNSA-N 400.458 0.803 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)CCO1 1316540706 YVTWKGQYNIZCOQ-ZYHUDNBSSA-N 404.381 0.734 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)C(=O)NCC(F)(F)F 1319195332 JLICFPOIZZRPGY-ZJUUUORDSA-N 406.386 0.408 30 20 HCED 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30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COC)[C@H]2C1 1786497420 XIACGUJUPDQJSE-QAETUUGQSA-N 423.510 0.529 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)NCC(C)C)[C@H]2C1 1787527731 PAKCFBMQFZXHDO-KKUMJFAQSA-N 401.454 0.950 30 20 HCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)C1(O)CCC1 1788600410 LQVWCWOCTPEXOF-ONMOMLBCSA-N 420.554 0.989 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)c(F)cc3F)C[C@@H]21 1791078399 YIISPQGJNYXGQL-PKWAYOAASA-N 410.348 0.785 30 20 HCED N#Cc1ccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)cc1 1792424151 WMMWFGCJPVAZSC-UPHUGPLXSA-N 421.457 0.478 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H](C(=O)OC)C1 1792963523 BLZUAUPLDDSRQD-NKXHUJMZSA-N 406.479 0.204 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1793384394 YNBCXNQIMIAYBX-XRGAULLZSA-N 403.508 0.887 30 20 HCED 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C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1O)C2 1802025209 RTNRXMIZQDNEGR-XCZHGCMTSA-N 400.431 0.820 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@H]1CCN(C(=O)c2nccn2C)[C@@H]1c1cccnc1 1802484100 XZUPSGRLXCISOU-LDBCMITESA-N 422.489 0.993 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)NC(N)=O)[C@H]1c1cccnc1 1803547456 JTACJOMXFCBBOJ-SPUZQDLCSA-N 415.494 0.573 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CC[C@H](CNC(=O)CC#N)[C@@H]2c2cccnc2)no1 1806282684 SQTKXEIENGDCCU-BEFAXECRSA-N 410.434 0.728 30 20 HCED C=CCSCC(=O)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1806678065 KMAKZOSVLHNYHZ-LJQANCHMSA-N 411.568 0.787 30 20 HCED C#CCCC(=O)N1CC[C@H](CNC(=O)CNC(=S)NCC)[C@H]1c1cccnc1 1812334615 ZVMHSAJXUAMZSE-VQIMIIECSA-N 401.536 0.985 30 20 HCED C#CC(=O)NC[C@@H]1CCN(C(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@H]1c1cccnc1 1812531485 KUHIXWMJONULKO-KXBFYZLASA-N 409.402 0.491 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666057 AJDWAPKDVPAXDI-QOJWJBQSSA-N 416.511 0.819 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1819363323 CNKYUIZWZQVHKH-ZIAGYGMSSA-N 402.459 0.662 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)CC2 1825018234 UWZUDRKMFAEPNP-GFCCVEGCSA-N 410.521 0.360 30 20 HCED COCc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1 1825669380 CKVCZXBCKKVLOI-NSHDSACASA-N 402.432 0.931 30 20 HCED N=C(N)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/O[C@@H]2CCCCO2)CC1 1828973581 SWUCIZZTJNXPES-BEHCFYTASA-N 422.530 0.618 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Cn4cncn4)C3)C2)C1 1829669269 UMVJARWCOOABGL-OXQOHEQNSA-N 403.483 0.337 30 20 HCED Cn1cncc1C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829900822 OXKOMZAMHBOVBO-JOCHJYFZSA-N 423.473 0.604 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cc(O)n1 1830056545 DZHXYBAMHAXMBR-FQEVSTJZSA-N 402.451 0.715 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1831209573 XQXDUCFTAMPOMS-AJTFCVKESA-N 404.507 0.655 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)C(F)F)C2)C1 1831387959 UOUGRHHOJUVDQP-LRDDRELGSA-N 410.364 0.382 30 20 HCED Cc1c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)cnn1C 1831485497 DXQUIYKVJNSHIE-VQIMIIECSA-N 410.540 0.753 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c1 1831739151 UDAOIBLNDUHMNE-NRFANRHFSA-N 423.429 0.438 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832502839 QDMNMQDLKWWWLJ-KNQAVFIVSA-N 414.458 0.696 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cnn1C 1834422765 ISTVSWZWAOJMRB-QHCPKHFHSA-N 422.485 0.850 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cocn1)CCO2 1834510332 GQHUMYRZJPPCRK-LJQANCHMSA-N 407.423 0.254 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3cc(Cl)cn3)CC2)CC1 1834815026 NFUHQGJTYNYNSS-UHFFFAOYSA-N 421.885 0.196 30 20 HCED Cc1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835097013 OPCMHJKXZPBZML-HSZRJFAPSA-N 420.469 0.907 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835120742 JQHZDMHWMCHILW-INIZCTEOSA-N 402.539 0.838 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835128990 VNPLXEHBIPWXJX-KNQAVFIVSA-N 423.554 0.910 30 20 HCED CCOC(=O)C1(C(=O)N2CCOC[C@]3(CN(C(=O)C4(C#N)CC4)CCO3)C2)CC1 1835346583 IPZQDJIUFNYJIB-IBGZPJMESA-N 405.451 0.090 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1835355233 YSMNRDUUPKKXMC-HXUWFJFHSA-N 412.450 0.191 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H](N)c1cccnc1)CCO2 1835837469 DIKUIAGEVDVZRC-NQIIRXRSSA-N 400.479 0.341 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1 1837305692 GZHRSGRKGLBYRO-MGPUTAFESA-N 404.467 0.954 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446025 FORGVNQQOJMAIQ-WDFHVHJUSA-N 423.558 0.255 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3ccon3)C2)C1 1837561131 AVQHHTLWDZYUKC-LKQKOTCASA-N 402.407 0.457 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1ccccc1=O 1837680353 IIQOUMSAOYAJHM-JTSKRJEESA-N 413.474 0.279 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncccc3F)CCO2)C1 1838244822 UHTLRLWXLBPABU-YWZLYKJASA-N 405.426 0.329 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838649835 NRVXCUINBAROGE-HRAATJIYSA-N 419.478 0.430 30 20 HCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1)n1cnnn1 1838811061 DWOUTKWUBAFISO-HNNXBMFYSA-N 415.498 0.927 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CSC(=N)N)C3)C2)cc1 1838950391 RLZWWDQLYAVNKT-LJQANCHMSA-N 417.491 0.255 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1839839908 QAFANZSNDPMZAZ-FOIQADDNSA-N 406.483 0.711 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnc(Cl)c3)C2)C1 1840158906 SHVJWLZQHPSYNC-MEDUHNTESA-N 400.888 0.518 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1840167651 DRXHRZBOPCJKSF-OAQYLSRUSA-N 401.463 0.964 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1840169024 FJXGORFXWAGEAY-HXUWFJFHSA-N 404.467 0.302 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCC(O)CC1)CCO2 1840273603 XMGVQXFJGLDUAJ-UHYCVJNDSA-N 412.552 0.913 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840274373 DKVMJXVDBANMRF-PNXXNBOHSA-N 424.538 0.567 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840293585 KIZIVACKMVWMAM-OAQYLSRUSA-N 402.495 0.911 30 20 HCED C/C(=C\c1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1840414668 XPADCVSXWXTGEZ-RBNQXFGJSA-N 413.430 0.029 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840481359 QCFREJZKKSTJOB-HXUWFJFHSA-N 421.519 0.583 30 20 HCED CN1CCC[C@@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)C1 1840814875 KFJPASXGESAIBE-DYESRHJHSA-N 404.511 0.478 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccc(F)c34)C2)C1 1840844374 SGZNISLXNOKHPV-OAQYLSRUSA-N 414.437 0.957 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1841748045 BHZKMJKYIMVKCX-AWEZNQCLSA-N 408.499 0.925 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2)[C@@H]1SC(=N)NC1=O 1843407910 ZPSPBSWIVDVJPC-MFKMUULPSA-N 400.464 0.506 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194749 LYAOGVWOIRPAAH-AWEZNQCLSA-N 405.451 0.747 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1846829604 XTXRBOAMYSWZQH-OXJNMPFZSA-N 412.490 0.781 30 20 HCED COc1ccc([C@H](C/N=C(/N)NCCCN2CCOCC2)N2CCOCC2)cc1 303791406 XNNVQAIBYKAGKM-FQEVSTJZSA-N 405.543 0.695 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCO1 409498450 FJQRNFONNAMBPN-JSGCOSHPSA-N 418.397 0.869 30 20 HCED CN(C)CCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCS(=O)(=O)C1 427711688 UGVPYSXVHBLFDM-KRWDZBQOSA-N 416.507 0.517 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 431501782 ZNOALBOBNNNPPR-UHFFFAOYSA-N 412.443 0.146 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 434960129 ZULXZJIMPDMOBQ-UHFFFAOYSA-N 413.496 0.983 30 20 HCED COc1ccc(C#N)cc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 438709805 BNMKRGCULWZHAN-UHFFFAOYSA-N 404.448 0.765 30 20 HCED COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)nn1 441875753 UAHNTDXLCSKLNJ-UHFFFAOYSA-N 403.342 0.820 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 441971803 CQQVZZFBNLYLFG-OAHLLOKOSA-N 406.508 0.785 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 460741114 ZTPWEPKIMIVBKN-AWEZNQCLSA-N 409.450 0.902 30 20 HCED Cc1ccn(C[C@@](C)(O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)c1 468380102 SKFMMVBEAIYSJH-PGRDOPGGSA-N 408.458 0.697 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCN(S(C)(=O)=O)CC2)cc1 469440101 FGYRONRQBMHQBE-UHFFFAOYSA-N 415.537 0.647 30 20 HCED CN(CC(=O)NC1CCN(c2cccnn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 469958817 BLCCQNONJLLBPZ-UHFFFAOYSA-N 414.491 0.754 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)Nc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 472150281 DRRYCYDBIYPQAI-UHFFFAOYSA-N 416.507 0.764 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)cc1 477911332 NPSMNNUUKMUZRC-UHFFFAOYSA-N 417.495 0.611 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(C)C 479396904 JYHCQXALVLNNRS-UHFFFAOYSA-N 416.503 0.235 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(C(=O)COC)CC2)c(C#N)cn1CCOC 481467588 ULEVVLFAKAHSFJ-UHFFFAOYSA-N 421.454 0.505 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCC(N(C)C)CC1 482338527 ZWVCFQCXKYLQAL-HNNXBMFYSA-N 407.540 0.367 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CC(N)=O)C1CCOCC1 482485474 BHXDEVKDESMRMC-BLLLJJGKSA-N 408.480 0.012 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)c1 483577947 UJLIFFSDXCCTBM-UHFFFAOYSA-N 413.459 0.993 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1 485412756 UZBRHRKRZBNKGP-KBPBESRZSA-N 401.492 0.662 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)Cc2cccc(Br)c2)C1=O 489120442 DJQRTKDYTCVHET-UHFFFAOYSA-N 424.251 0.747 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc3ncccc3c2)c1=O 489199301 XVCPVCWPOJQQKR-MRXNPFEDSA-N 420.494 0.793 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 489222957 SWXLJFKLWZNZKR-CQSZACIVSA-N 412.487 0.545 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 497497459 ZSMPMOTXEHERHL-CYBMUJFWSA-N 420.495 0.270 30 20 HCED Cc1onc(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1C#N 500604131 QHGJMCKPAPISJK-OAHLLOKOSA-N 411.466 0.809 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N=c2cc[nH]cc2I)C1=O 501266228 LLFVEUZOJMDIHV-UHFFFAOYSA-N 414.159 0.023 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(NS(=O)(=O)CC)CC2)cc1 503320957 XKXSURXWSZIRBQ-UHFFFAOYSA-N 422.507 0.471 30 20 HCED CC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)c(C(F)(F)F)c1 508370096 NZZOBJHENZKDJN-UHFFFAOYSA-N 409.328 0.882 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 508810532 PPQDNNLYDYWINK-QGZVFWFLSA-N 409.454 0.448 30 20 HCED COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCCn1cnc(C#N)n1 511367701 SIUAWKCOVYCGKA-UHFFFAOYSA-N 403.342 0.934 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccc(C#N)cn2)CC1 511663496 DFBILOKALFLRFE-AWEZNQCLSA-N 414.491 0.750 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 512159817 MFKUUKKTTKVFQZ-MSOLQXFVSA-N 406.508 0.969 30 20 HCED C[C@@H]1CN(C[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 513457528 XVXFPPCSTVDEKP-ZHALLVOQSA-N 422.551 0.335 30 20 HCED C=CCC[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)C(=O)O 517005357 OFSFSJGXJBVZRR-SJCJKPOMSA-N 411.436 0.448 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)c(F)c3)c(=O)n2C)CC1 517557911 XOLLXUYQAMDIPQ-UHFFFAOYSA-N 414.506 0.562 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 524109359 XGRWGEHRWFWBRE-UHFFFAOYSA-N 407.434 0.142 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1Cc1ccon1 531684596 ITEQBEZXFMJZDU-UHFFFAOYSA-N 400.847 0.849 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1CCCSC 532194849 AHRWPSDXGYNFQG-UHFFFAOYSA-N 409.558 0.982 30 20 HCED CCN(CC(=O)OC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532558132 IVVPLMRGZVIDNY-UHFFFAOYSA-N 401.423 0.950 30 20 HCED CC#CCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 534999460 ZCYOFSWSWXUPSL-UHFFFAOYSA-N 404.492 0.666 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(F)c(C(=O)OC)c(F)c2)CC1 549715844 WYWFZTFKPQEJGH-UHFFFAOYSA-N 424.404 0.136 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC1 551730990 XZWZIVQLKCPJKX-KBXCAEBGSA-N 400.435 0.695 30 20 HCED COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 554471914 YFHDHVSFHCKFFX-INIZCTEOSA-N 402.432 0.918 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)CC1 554646792 TVESMWREXXEZCX-QGZVFWFLSA-N 424.505 0.496 30 20 HCED CSCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C 561665462 FUUODQIADKYVIK-WFASDCNBSA-N 412.537 0.551 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ncccc4F)C3)CC2)c1 569497016 FGTJOXCMWCAMTA-MRXNPFEDSA-N 423.452 0.531 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(Cn3ccnn3)CC2)n1 573025137 XGDZNZAFYKGTAD-UHFFFAOYSA-N 405.422 0.608 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1cc(C)ccc1F 580295862 ZXAWKCHASSZIFJ-UHFFFAOYSA-N 411.462 0.638 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)cc1 588107909 ZYPNWINACJMIPO-HXUWFJFHSA-N 414.506 0.762 30 20 HCED CN(C)S(=O)(=O)N1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 589442871 BAAXCJFWHFZPJG-UHFFFAOYSA-N 413.887 0.491 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cncn3)CC2)c1 604207289 OXBHTJKTSGBIRH-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CN(CC(=O)N1CCC[C@@H](N2CCCC2=O)C1)S(=O)(=O)c1ccc(C#N)cc1 609530939 DOFWJZXMXNBYQP-MRXNPFEDSA-N 404.492 0.792 30 20 HCED C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 610406309 OWXRMQJLTPVJGK-WMLDXEAASA-N 408.466 0.712 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 615069819 OCISQSOEHBCKQP-UHFFFAOYSA-N 408.480 0.874 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c1 674379279 ZKVOUXCBCYJXJI-HNNXBMFYSA-N 406.464 0.259 30 20 HCED C=CCN(CC=C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 675960669 UDGSZCKBZNKBDP-HNNXBMFYSA-N 423.491 0.571 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 685057369 SFPKKKOFQVGMJQ-FUHWJXTLSA-N 421.519 0.940 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)OCC(=O)NCC#N)ccc1Br 731237067 CDODNCWEHXCYEI-UHFFFAOYSA-N 404.242 0.496 30 20 HCED CN1CCN(C)[C@H](CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 732475109 URXBRPFIHGWZQL-XEFZIOHMSA-N 422.555 0.867 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 733150781 UQUAUFCRBUALCC-MRXNPFEDSA-N 400.454 0.462 30 20 HCED C#CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 733162401 OIJMQEATUACGPM-UHFFFAOYSA-N 414.325 0.847 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C(C3CC3)C3CC3)c2=O)cn1 734828734 XHAINPKMNDAVQC-UHFFFAOYSA-N 409.515 0.786 30 20 HCED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)Nc3ccn(CCC#N)n3)n12 735483728 YIPSDGWXLRARQD-UHFFFAOYSA-N 415.487 0.646 30 20 HCED Cc1cc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 738858060 CKHISDSXGAIHOB-OAHLLOKOSA-N 407.386 0.196 30 20 HCED C[S@@](=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 741144034 SLDZKGFZRUPFSZ-AREMUKBSSA-N 412.537 0.015 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1 742847008 IGHMZERAXYVMRB-MRXNPFEDSA-N 403.485 0.973 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 744601493 PKUPVDMAVWALFS-INIZCTEOSA-N 416.459 0.684 30 20 HCED CCCN(C)C(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749634440 VRCKBYHPUWQAGR-CQSZACIVSA-N 424.548 0.885 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)COc2ccc(S(N)(=O)=O)cc2)n1 750173097 XHNDQXIYYHLDGS-ZDUSSCGKSA-N 409.445 0.897 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC)[C@@H](C)c2ccc(F)cc2)CC1 761031391 RFYLIWXKGOKOEK-INIZCTEOSA-N 410.515 0.820 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1OCC(F)F 762465657 PJCBFCNGVWJEQG-FOCLMDBBSA-N 408.361 0.912 30 20 HCED N#Cc1cccc(OCCCOC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c1 763918024 HIHIKZCTRMWFKF-JKSUJKDBSA-N 406.460 0.906 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 766979527 YVYDUXXCIZAJDV-CQSZACIVSA-N 414.443 0.815 30 20 HCED CN(C(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(C)(C)C#N 767553588 ZXGRYDWETXIESC-UHFFFAOYSA-N 402.455 0.209 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC(C)(C)C 767636813 MDFROUZUTXBJME-LLVKDONJSA-N 410.452 0.393 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)[C@H]1CCCO1 773793036 QQRLUXWMDSGIII-DOTOQJQBSA-N 419.503 0.980 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC[C@H]1O 778896870 DBIKIMSCMSTHJA-AWYIAAKZSA-N 422.507 0.667 30 20 HCED Cc1ccc(C(=O)OCC(=O)NC2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 784186739 OSZKGAXOMLRKAT-UHFFFAOYSA-N 421.475 0.735 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 784502140 VYUFCNDKFZJVHI-ZWKOTPCHSA-N 417.487 0.945 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 785158857 FLYAWCZAUSYDBR-UHFFFAOYSA-N 402.856 0.468 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)n1 789788340 HUVUUFXPDMFSHX-UHFFFAOYSA-N 421.461 0.770 30 20 HCED CCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(C)C1=O 801507480 CGOQQURJLMUVLC-CYBMUJFWSA-N 406.464 0.111 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C#N 809005125 LURYNWAIMXSDQN-WBMJQRKESA-N 410.434 0.227 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 811475561 PEJYQEBTBAFZKR-UHFFFAOYSA-N 404.452 0.185 30 20 HCED CCc1ccc(C#CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 814499851 AYYMVJZYMOQGLR-UHFFFAOYSA-N 415.471 0.826 30 20 HCED C#CC[C@@H](CO)NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 816672226 TTZPSTZWWCTUHB-HNNXBMFYSA-N 410.492 0.797 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1 819070829 FNCYPZWOWDGKIL-QGZVFWFLSA-N 403.504 0.975 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)cc1 914750946 QECMKHFXHZPOAU-UHFFFAOYSA-N 402.476 0.853 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 917033555 DTQQTUCIFKCSRK-INIZCTEOSA-N 412.446 0.927 30 20 HCED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918242776 DQXCJPTXCLGEHM-SPZKXHQHSA-N 423.495 0.079 30 20 HCED CNC(=O)c1nn(CN2CCN(c3ccc(C#N)cn3)CC2)c(=O)c2ccccc12 918729951 WZYGSPBCCJNMPP-UHFFFAOYSA-N 403.446 0.802 30 20 HCED CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 919350650 LPBHPWSBBXEDIF-UHFFFAOYSA-N 404.448 0.484 30 20 HCED Cc1nc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N 1115840741 QABVDFZCHMLATH-HZPDHXFCSA-N 421.475 0.613 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NC1CCN(C(C)=O)CC1 1117104694 BFUMDWHAHTXGMV-UHFFFAOYSA-N 421.479 0.625 30 20 HCED N#CCNC(=O)CNC(=O)N1CCC(O)(c2scnc2Br)CC1 1117432366 UGNAEJSOQGXMCY-UHFFFAOYSA-N 402.274 0.538 30 20 HCED CS(=O)(=O)CC1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1129202316 VXOAZYYCPHGSIU-UHFFFAOYSA-N 413.521 0.445 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCOCC2)CC1 1149480974 ZXNXTHPRUBQHRO-OAHLLOKOSA-N 406.508 0.548 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1286970977 YQRRJPYIQKKVJA-KGLIPLIRSA-N 412.516 0.243 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCN2CCOC2=O)c1 1302988182 WOJZHBDFHXPLEK-UHFFFAOYSA-N 409.450 0.985 30 20 HCED CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1305288545 COVKSCIQVSDHOW-UZLBHIALSA-N 401.515 0.852 30 20 HCED C[C@H](CC#N)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 1318420428 HZNHCXSSHFLJTO-YUOYJMCBSA-N 413.521 0.798 30 20 HCED CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)s1 1318644986 XJYNAYAWJDRYND-ZAUPALIDSA-N 412.493 0.750 30 20 HCED N#CCCn1ncc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1ccccc1 1320881282 DTQYJBPRFAHPEU-OAHLLOKOSA-N 416.459 0.924 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCC3)c1=O 1341192537 JQONOVWWGJZQCS-UHFFFAOYSA-N 407.495 0.297 30 20 HCED 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N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1770736144 UNEWXUWOIZQDLT-HNNXBMFYSA-N 414.491 0.578 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1778886321 QGCZZSOOUIFMGS-QINHECLXSA-N 409.483 0.649 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n[nH]1 1779016258 BBJBOIOPUKRDGA-TTYLXTBDSA-N 402.499 0.887 30 20 HCED N[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)c1ccccn1 1779016609 MBRHDGQHAHEYSW-DYRZRGRSSA-N 414.510 0.383 30 20 HCED Cc1ccc(O)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1780328989 MLZCCVLJZJMVED-DYESRHJHSA-N 400.431 0.916 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1781630420 BDIOFYUAJZJLHB-QEVIJRNUSA-N 417.437 0.833 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1783164250 HMECLUKRCQNJFD-IIBYNOLFSA-N 401.463 0.229 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C(=C)C(F)(F)F)C2)C1 1783197670 DCGAKOWIRVSCJU-VGOKWCNXSA-N 401.385 0.793 30 20 HCED 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30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C(F)(F)Cl)C2)C1 1837567916 YHYSWZONDXUNMC-ZTYNIRBVSA-N 419.812 0.987 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n(C)n1 1838038780 IFPXLPSLKQOGBE-FQEVSTJZSA-N 403.483 0.602 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1839228506 FXKRRELHMRDJNK-FUHIMQAGSA-N 411.499 0.670 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)COc4ccccc4F)CCO3)C2)CC1 1839968732 BHSCAAHWVWXYNR-NRFANRHFSA-N 417.437 0.965 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CCO2 1840046855 LOSFFLCGXUJTMO-KKSFZXQISA-N 421.494 0.476 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)C1 1840161259 JIBZUWUAMOMVHC-JNAXZKDPSA-N 406.504 0.765 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1840166050 SELMFZSJDLDGDV-ZRGWGRIASA-N 409.508 0.624 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(C)=O)C2)C1 1840293270 PLYJSRYEOAUHFR-DYESRHJHSA-N 407.511 0.503 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)c1 1840457491 CAMSFAMLFMFDCR-OAQYLSRUSA-N 424.461 0.379 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCS1)CCO2 1840576636 BIJJEHMAYMFRGL-NPJMMCDESA-N 424.567 0.810 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cn[nH]c5cn4)C3)C2)CCC1 1840814185 SGSBTSXPYWGVFY-NRFANRHFSA-N 424.461 0.722 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1840902984 MQVVTGYIMKZUTH-VGSWGCGISA-N 415.490 0.837 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845825046 IMDVGFDDNXAGPN-CQSZACIVSA-N 419.438 0.761 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNC(=O)C3CC3)CC2)cc1 22752083 MDGKREBQLVUROJ-UHFFFAOYSA-N 404.492 0.601 30 20 HCED Cn1c(=O)c2[nH]c(CN3CCCN(Cc4ccc(C#N)cc4)CC3)nc2n(C)c1=O 25934244 OVWPWRDGEMGVQY-UHFFFAOYSA-N 407.478 0.540 30 20 HCED C=CCOc1ccc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC 25992560 TZLVXSRBNRADIB-UHFFFAOYSA-N 414.418 0.864 30 20 HCED Cn1c(N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(C#N)c(=O)n(C)c1=O 302612002 ATDJUXJHUNMHPP-OAHLLOKOSA-N 403.389 0.837 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 409481481 AMRLZSJTDTVGID-SECBINFHSA-N 412.419 0.148 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(S(=O)(=O)NCCC)cc2)C1=O 440277672 BYOIWPHEUSPBEX-MRXNPFEDSA-N 422.507 0.559 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 442016486 YODQPSKMIAGCQL-STQMWFEESA-N 415.475 0.046 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](OCCN2CCCC2)C1 443815810 XJYYNOMCPRBSIW-SJLPKXTDSA-N 420.535 0.938 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCCS(=O)(=O)N(C)C 447781744 VEGIPWJSCSZMNP-UHFFFAOYSA-N 416.569 0.533 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 470224568 WXWLLAWOQROBQI-UHFFFAOYSA-N 405.886 0.893 30 20 HCED C=CCn1c(O)nnc1SCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 470820573 LTPYGQSYTODFNM-SNVBAGLBSA-N 409.493 0.887 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@@H](CO)O1 470914604 CGOQFXMUHPIQAQ-YOEHRIQHSA-N 414.462 0.816 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCN3CCN(c4ccccn4)CC3)CC2)c1C#N 473007990 IWAYFCLRSFAGMD-UHFFFAOYSA-N 422.537 0.856 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 481250915 DIAGQJIAXGKCBL-HOCLYGCPSA-N 405.455 0.156 30 20 HCED CC(C)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCN(C)CC1 482178358 MMEAVERJYPNECY-APWZRJJASA-N 421.567 0.613 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@]2(CCOC2)O1 485045059 QSYXBCHNEJHXMX-UZLBHIALSA-N 410.434 0.874 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cn1C 486119952 LUYRSFWBGYLASH-UHFFFAOYSA-N 416.507 0.935 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487134306 HCVIZOKUOLIVSY-GOSISDBHSA-N 412.494 0.169 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C(C)C 498367376 LDSBVIZWVJZNPX-OAHLLOKOSA-N 402.499 0.249 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 499139129 MUKSEGVAIOWJGA-ZDUSSCGKSA-N 401.510 0.692 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)[C@@H]2CCOC2)n(CC(C)C)c1=O 505696089 YNKMRLVBGLMDGP-CQSZACIVSA-N 400.504 0.716 30 20 HCED N#CCC1(O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 506366562 ZXKPFLHOQZBUAV-ZDUSSCGKSA-N 408.436 0.482 30 20 HCED CN(C[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1)S(C)(=O)=O 506695437 HIGLBSOLABHNJN-CYBMUJFWSA-N 424.527 0.578 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)C1=O 512875449 DATGTKYITAMYNH-HNNXBMFYSA-N 410.390 0.183 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1-n1cnnn1 516485085 SSOFJEAOPWUYFI-UHFFFAOYSA-N 417.433 0.525 30 20 HCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 525778108 MXBNARPDWCYFNS-UHFFFAOYSA-N 422.397 0.385 30 20 HCED CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)S(=O)(=O)N(C)CCC#N 535360908 QWAKKMDIEVCBHG-MRXNPFEDSA-N 412.512 0.255 30 20 HCED CN(C)CCS(=O)(=O)c1ccccc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 539355860 GTDWJHBREUFFFK-UHFFFAOYSA-N 418.523 0.904 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 542294963 JOHLLRHJRYTHCN-UHFFFAOYSA-N 411.422 0.151 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCC#N)CC2)cc1[N+](=O)[O-] 543377963 RYCFUHQDWPXGEI-UHFFFAOYSA-N 411.440 0.923 30 20 HCED COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1 559253388 ASRZAFVTUWXTDV-UHFFFAOYSA-N 402.432 0.990 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 559678797 VCDNAKCQVXKZIU-INIZCTEOSA-N 401.511 0.690 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)n1 560194538 FDRWPBPHUQQRDM-RDTXWAMCSA-N 410.409 0.995 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@]4(CNC(=O)C4)C3)C2=O)cc1 567019391 FKCKMTASPVFLRG-VGOFRKELSA-N 423.473 0.299 30 20 HCED CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 568066571 MGJNGDUSJIHPAV-KGLIPLIRSA-N 412.368 0.551 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nc(C)ns2)CC1 568803886 ZYRIQVJGVYOMDS-LLVKDONJSA-N 412.545 0.561 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)CNS(=O)(=O)c3cccnc3)n2)c(F)c1 577686437 HPKCBVQNIZMFPN-UHFFFAOYSA-N 400.395 1.195 30 20 HCED CNC(=O)c1cc(Oc2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)ccn1 581655819 BWYIGMAHADRLHM-INIZCTEOSA-N 409.402 0.923 30 20 HCED COC(=O)c1cc(C(C)(C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)no1 583534273 HVMUEAIGWSNOLL-UHFFFAOYSA-N 416.438 0.803 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)NCCOCC(N)=O)n(-c2ccc(C#N)cc2)n1 583708774 XVUDQYYQOPWYNO-UHFFFAOYSA-N 412.450 0.598 30 20 HCED COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 601908091 PPHNOANPIRDURT-UHFFFAOYSA-N 414.443 0.887 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)NC(C)(C)C 603579699 QBXNYXTYOQXVFX-UHFFFAOYSA-N 406.512 0.985 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 609109531 RGVYXLXSOGONMG-SFHVURJKSA-N 423.473 0.347 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)COc3ccc(C#N)cc3)CC2)CC1 609266983 PCXBPSUIUVGJBR-UHFFFAOYSA-N 413.522 0.634 30 20 HCED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669802679 ZHFOQRPUFAOAPC-UHFFFAOYSA-N 408.532 0.254 30 20 HCED C=CC[C@H](CO)CNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 678763575 FRVTWVODSPZWNG-LBPRGKRZSA-N 403.439 0.486 30 20 HCED CCOC(=O)c1cnn2c(O)cc(COC(=O)CNC(=O)c3ccc(C#N)cc3)nc12 727009943 GITNFRLNHVVOBV-UHFFFAOYSA-N 423.385 0.956 30 20 HCED CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 727939004 NWMNSZYMBJWJMR-UHFFFAOYSA-N 414.509 0.009 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 728572866 OEBKELNCZKZYFZ-UHFFFAOYSA-N 408.886 0.663 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 728730328 MEHNNAJSQOTWOP-CSNVJCEJSA-N 417.462 0.980 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(C(N)=O)s3)cc2C1=O 732616877 ARNMMBPUTMRJAT-UHFFFAOYSA-N 419.440 0.748 30 20 HCED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1-c1ccc(F)cc1 732910154 KBEPPKPTXWGSDW-HNNXBMFYSA-N 404.423 0.899 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 742684775 SBMLQPNKUMCRKZ-XNFNUYLZSA-N 409.442 0.299 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccon2)c1 747798901 GZWJRLJTXFLEHI-RCCKNPSSSA-N 405.436 0.742 30 20 HCED Cc1nonc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749740074 CKWFCZFTYWHMLQ-JCMHNJIXSA-N 420.451 0.446 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 753891155 GQAZNPWWOOPCCF-GFCCVEGCSA-N 413.883 0.827 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCS(=O)(=O)CC1 756370927 AJFHSBCFUMLEGF-UHFFFAOYSA-N 413.521 0.446 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccc(C#N)o2)c1=O 758076003 CUBJPRBGBTZORG-UHFFFAOYSA-N 416.466 0.877 30 20 HCED C[C@H](NS(C)(=O)=O)C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 758480894 YZKJPXRRIUIBAK-NSHDSACASA-N 406.382 0.654 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnc(C3CC3)s2)c1=O 761834561 AVSOVQAFTONPRN-UHFFFAOYSA-N 418.544 0.919 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cn1 762008832 ZWLWBESALKGFGC-QGZVFWFLSA-N 410.434 0.382 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 764080403 VWTGMCVGXPPWTN-LVZFUZTISA-N 409.512 0.641 30 20 HCED C[C@@H](CC(=O)NC1(c2ncon2)CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 764367213 KILAUGLQTZDDLV-LBPRGKRZSA-N 419.463 0.709 30 20 HCED COC(=O)C1CCN(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 766321747 OHKYDVKFWSKNGR-UHFFFAOYSA-N 409.464 0.962 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 766990310 IVLBYIYKKQTDQH-KRWDZBQOSA-N 406.420 0.092 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)nc1 774856312 DAQKWCXHXPXOAP-LJQANCHMSA-N 422.489 0.499 30 20 HCED C=C(C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 777467891 ODPNSBIHRVPFKB-SYLQMPFCSA-N 410.521 0.846 30 20 HCED CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)c1 787178752 ZCSZLOVZXPZQMR-UHFFFAOYSA-N 424.461 0.265 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1)c1cc[nH]n1 789987029 PLQQCLZPAXNBTI-HNNXBMFYSA-N 421.498 0.843 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 792443905 CXLMBLQHBQQSBK-HNNXBMFYSA-N 406.508 0.479 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 796145108 YYMQKHBGDQIFRQ-INIZCTEOSA-N 418.479 0.870 30 20 HCED CN(CCOC(=O)c1ccn(-c2cccc(C#N)c2)n1)S(=O)(=O)N1CCOCC1 798825921 DXTZTZFPLAPMBK-UHFFFAOYSA-N 419.463 0.410 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CO)[C@@H](O)C1 798995952 IBFVSAKWJAWEQU-KBMXLJTQSA-N 409.508 0.342 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 799177487 QZHKENKOJIPYFN-SFHVURJKSA-N 401.467 0.962 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1)c1cc[nH]n1 803234390 LFMWNECXYPDZOM-GFCCVEGCSA-N 401.427 0.472 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 805640423 LYGWCUHCVBOEQZ-LJQANCHMSA-N 423.473 0.413 30 20 HCED CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)O2 806705118 UNCSSYFZJBZWBJ-FXUPRZHBSA-N 401.467 0.919 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)[C@@H]1CCCO1 809308754 KAHVPZBCLXRKIR-ROUUACIJSA-N 422.503 0.614 30 20 HCED COc1cc(OC)cc([C@@H](O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 810419768 NSBDBYQGNJKXKX-SFHVURJKSA-N 419.459 0.704 30 20 HCED O=C(NC1CC1)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 812038353 MPZIYKMWZQYYLQ-UVTIVQHFSA-N 405.455 0.966 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)C3=NC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 812602368 RLIZRCUQWROFJX-AWEZNQCLSA-N 413.415 0.176 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCN3CCOC3=O)CC2)cc1 913242848 ROGRXJRBMBHWNH-UHFFFAOYSA-N 407.448 0.954 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 918579708 GUPUMJVCFDQWKB-UHFFFAOYSA-N 422.488 0.943 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)NC(=O)C1(C)C 1000567282 SLBUIPIRCAHPRW-MRLBHPIUSA-N 404.467 0.156 30 20 HCED C#CCC1(C(=O)N2CC[C@](O)(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1040429536 UHFUQUMJQIXPGS-KPQJVYGTSA-N 402.491 0.310 30 20 HCED O=C(NCCNC(=O)c1c(F)cccc1F)NCCN/C(O)=C1\N=CC=CC1=O 1116049269 NZYGCVGPYOGFGN-BMRADRMJSA-N 407.377 0.520 30 20 HCED C[C@@H](CC(=O)Nc1ccc(OCCO)nc1)/N=C1/NS(=O)(=O)c2ccccc21 1179258356 JCXUBOPVGDECAV-LBPRGKRZSA-N 404.448 0.909 30 20 HCED COCCN(CC(=O)NC1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 1251463550 CIIZADIOHUBACO-UHFFFAOYSA-N 422.507 0.322 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1253868702 YUZSFLNJSOHTRL-IBGZPJMESA-N 401.511 0.862 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1314560861 YNFMOGDJUXMOIV-INIZCTEOSA-N 415.479 0.485 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1 1321292969 ZHZKRYSMUXQAHG-UHFFFAOYSA-N 407.854 0.814 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)C2=O)cc1 1323326502 GMEMABHOGFTCRZ-SJORKVTESA-N 401.488 0.990 30 20 HCED 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C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837243847 KWRBWOKFIVYQAJ-JYRCXFKTSA-N 422.494 0.813 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)N1C[C@@H]2C[C@H]2C1 1837279655 YZQGMVSBLZRTDU-MXTNKPTQSA-N 404.511 0.333 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n[nH]1 1837591200 ANXZCOJJWCWNAF-FQEVSTJZSA-N 401.467 0.411 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(OC)c3)CCO2)C1 1837974239 UROQCTCGWHDJMB-KKSFZXQISA-N 419.478 0.751 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838421781 XPNCYHMNUJYXLJ-OAHLLOKOSA-N 417.466 0.001 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)cc1-n1nccn1)CCO2 1838631702 OHYBIVLPVARWPR-NRFANRHFSA-N 409.446 0.279 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(N)s4)C3)C2)c1 1838736237 RYJOIZVPKXIACG-SFHVURJKSA-N 416.463 0.309 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1839222575 SAMHCIUEUCOCGL-DBXWQHBBSA-N 424.542 0.728 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1 1839223583 ABUGFAXNZWLNPI-OXJNMPFZSA-N 421.498 0.599 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c1 1839419918 BUWAAMKFCGPBGH-HXUWFJFHSA-N 413.409 0.804 30 20 HCED Cc1cnc2c(C(=O)N3CCOC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnn2c1 1840161344 LMYUJEOCDVWFDE-KUHUBIRLSA-N 419.507 0.426 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@H]4C)C2)C1 1840841984 GLUUUQSYFDLJKF-QVKFZJNVSA-N 400.479 0.943 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1841625017 HQHMJJFQLYKBSA-AWEZNQCLSA-N 412.537 0.610 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](N)CCC(N)=O)C2)ccc1F 1842881154 WKFHHOFGJQOKGW-INIZCTEOSA-N 401.442 0.036 30 20 HCED N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1 1843418372 YENCTHWCPBYRBI-SNAWJCMRSA-N 401.492 0.530 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844230020 KGUAJBOSSDGIQM-NJSYOOGUSA-N 409.487 0.426 30 20 HCED N[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)c1ccccn1 1844300337 ZLFFZZOPNVWQCH-VXQPMKGYSA-N 401.467 0.814 30 20 HCED C[C@H](NC(=O)c1cnccn1)C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2 1844332866 MPIIBLIXZHYOPD-MQEPLNOPSA-N 424.461 0.510 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1845256497 FWUGCSRDZRYDGR-CQSZACIVSA-N 405.455 0.262 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C2 1846370114 XIZFLNSHODBSHU-OLZOCXBDSA-N 401.529 0.784 30 20 HCED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 25564845 BSYWOGABNHNCPW-ZDUSSCGKSA-N 414.325 0.893 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 410169003 OZXLSVRUQXYSCR-UHFFFAOYSA-N 410.478 0.607 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410201918 YXSNNPASTWBTOV-HOTGVXAUSA-N 423.543 0.208 30 20 HCED COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCC#N)cc2)C1 427883741 FUUMZGMEWUYSDW-CYBMUJFWSA-N 422.463 0.229 30 20 HCED Cc1ccc(C(=O)NCc2ncccc2S(C)(=O)=O)cc1S(=O)(=O)NCC#N 428033854 RWBNNOKZYXSYHK-UHFFFAOYSA-N 422.488 0.525 30 20 HCED C[C@@H](C#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 432200544 CEPDTNNAHQPSDA-GWCFXTLKSA-N 407.901 0.450 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1=O 440254584 KXYVDHLRMMCLCG-INIZCTEOSA-N 420.491 0.410 30 20 HCED Cc1cccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1C#N 446521827 IQQSWXQVFRJRSP-GJZGRUSLSA-N 405.476 1.000 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(=O)n(C)c1=O 447917913 YTUXDJYCJSAIAS-IERDGZPVSA-N 417.510 0.895 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)cc1Cl 448158677 FUGNHHJUOPABNR-UHFFFAOYSA-N 400.869 0.863 30 20 HCED N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 463336337 RANQNAUHKIUNKB-HNNXBMFYSA-N 413.521 0.867 30 20 HCED N#C[C@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@]12C(=O)Nc1ccccc12 463857280 QJYNYRKADPVSQH-KXBFYZLASA-N 404.492 0.384 30 20 HCED COc1c(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)nn1C 480093838 FEANAYDLGPUPET-UHFFFAOYSA-N 412.494 0.815 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n(C2CCCC2)c1C 485427793 XUCAORYBWOYIRH-MRXNPFEDSA-N 412.494 0.673 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sccc2C(=O)OCC)CC1 491249616 ZPHXBNXIXSQQOL-UHFFFAOYSA-N 408.480 0.310 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 499338719 WHHZHOPBBRALNH-UHFFFAOYSA-N 406.508 0.815 30 20 HCED CN(CC(=O)N1CCNC(=O)[C@H]1c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 500151182 GXQNILQABVMUNO-LJQANCHMSA-N 412.471 0.878 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 502341981 WEFVEQYRAUFMJT-UHFFFAOYSA-N 408.452 0.361 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 504148689 IEXPTBUIBFQOBV-UHFFFAOYSA-N 419.511 0.602 30 20 HCED CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508648505 NLSYGRFCXPEZMB-GOSISDBHSA-N 412.494 0.517 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC2(CO)CCOCC2)n1 513273975 NVYWMWQDHKTYCT-UHFFFAOYSA-N 401.398 0.727 30 20 HCED CC(C)(O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 514321096 MTIMBNAIVKCKMQ-HXUWFJFHSA-N 417.529 0.923 30 20 HCED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)n1 514929304 MQRJJBMBIQIHKH-JTQLQIEISA-N 415.431 0.699 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](COC)c2ccc(Cl)cc2)CC1 517778005 POLCMNHOVRJQGW-QGZVFWFLSA-N 422.913 0.590 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)C1=O 522991155 INNJMORZVKSJJX-UHFFFAOYSA-N 416.409 0.016 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)CC2)nc1 523080275 DBSFHLPPZWBYNJ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CN(CC(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 524867837 WGGBIMBZHMMNFX-HOCLYGCPSA-N 413.521 0.651 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(N2CCOCC2)c1 527088358 JPEJNUALVIIPOQ-UHFFFAOYSA-N 411.466 0.730 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CNC(=O)C(C)C)C3)CC2)o1 532529919 QITXSRKOMFXGLQ-QGZVFWFLSA-N 416.526 0.988 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)cn1 545180699 ZOTZQLWVQSSZIR-ZWKOTPCHSA-N 423.477 0.837 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)CCO1 549494770 CCZFOHPSRLDNRG-DLBZAZTESA-N 407.438 0.829 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O 551812430 DCTNQOPKHZVCER-LBPRGKRZSA-N 405.418 0.381 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCc4ncnn4C3)C2)c(F)c1 553538761 RFPDIPJYDBXLJQ-CABCVRRESA-N 411.441 0.505 30 20 HCED Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCOC2)c2ccccc2c1=O 555487675 HZLMKKVEVYWCMG-GJZGRUSLSA-N 421.461 0.957 30 20 HCED CS(=O)(=O)N1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 559641420 XQVRASYECHPEIR-UHFFFAOYSA-N 422.326 0.977 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)CC1 559694779 WOEBNXAHSYQCBQ-UHFFFAOYSA-N 416.445 0.499 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 561955694 SYGOHXHZBWVISC-NRFANRHFSA-N 414.462 0.704 30 20 HCED COC(=O)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(OC)c(O)c1 570430145 IJUSLBJFOZFRIM-KRWDZBQOSA-N 405.432 0.945 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 588946971 MVNGIVPYUXEYEW-HNNXBMFYSA-N 405.405 0.290 30 20 HCED CN1CCN(C)[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 609530620 OXBKVHFXUXVGRP-GOSISDBHSA-N 419.551 0.321 30 20 HCED CC(C)(C#N)c1ccc(NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)cc1 609957503 NDLWYEMCLWLHGQ-UHFFFAOYSA-N 415.538 0.933 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccnn3-c3ccncc3)CC2)c1 611545860 FFKOMHIEJJOBHQ-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 615255049 YPKJAIRKXDRAAJ-UHFFFAOYSA-N 422.445 0.871 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2OC)C1=O 726042992 IOLZTNXHHHDYSO-CHWSQXEVSA-N 417.418 0.781 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1=O 726043096 RGQQDAMTTLQZEH-CQSZACIVSA-N 412.402 0.842 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730619254 UTALOHNYZAQCBA-MRXNPFEDSA-N 423.491 0.783 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732466425 NRGAVIVOQCVMFK-VXPUYCOJSA-N 408.462 0.912 30 20 HCED CCOC(=O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737236223 LWPOEDBGONKAPB-RCCKNPSSSA-N 424.479 0.507 30 20 HCED C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 743490937 AGYCYPVNEZJIQH-UHFFFAOYSA-N 408.524 0.264 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1nnn(C2CCOCC2)c1=S 756874816 DQXOSJJAKCBPLG-CYBMUJFWSA-N 401.500 0.990 30 20 HCED C[C@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCN1S(C)(=O)=O 758768593 IOAIUHWIAYPKLR-IHRRRGAJSA-N 415.516 0.421 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758776105 LRGQRPZDCNFOMW-HZPDHXFCSA-N 422.530 0.597 30 20 HCED CC#CCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 767537544 KDGNZANKCDZVJN-UHFFFAOYSA-N 408.476 0.875 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 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C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837691440 QEMOMUOONMAKBN-YZVOILCLSA-N 409.508 0.184 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)C(F)(F)F)C2)C1 1837702979 RWMYTOFWYSWZGH-GUYCJALGSA-N 419.400 0.252 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1838102059 VJILHJFVBVZFSS-IBGZPJMESA-N 409.439 0.433 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2)C(F)(F)F 1838339365 KSZGDNILHTVEOT-QGZVFWFLSA-N 415.368 0.509 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCN(C)C3)CCO2)C1 1839062657 FYTCDKMUQXMGMU-LQWHRVPQSA-N 409.527 0.376 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3C)C2)C1 1839227476 RXHCHHQASADEQG-OXJNMPFZSA-N 419.482 0.656 30 20 HCED COc1ccccc1CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1839953518 RAAHOBYJZVSZBY-OAQYLSRUSA-N 401.463 0.998 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1840159886 PXMAWLLGJXNSHK-BFUOFWGJSA-N 408.524 0.677 30 20 HCED C[C@H](Oc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1840452349 NJZNEGXZXQZMNR-JXFKEZNVSA-N 402.451 0.609 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498603 RWMBSEIGSUOJCM-QFIPXVFZSA-N 415.490 0.980 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3N(C)C)C2)C1 1840841345 RUKCLJGPNHLJRE-NRFANRHFSA-N 400.479 0.631 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCC(=O)N2)C1 1842796035 YCFWHNMLEFFGFX-HUUCEWRRSA-N 420.510 0.938 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nn[nH]c2C(F)(F)F)C1 1844805898 KAHBPVPDCPINHS-PLNGDYQASA-N 412.372 0.499 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 1846412964 LBYOWQNDRWGQGY-OAQYLSRUSA-N 405.495 0.975 30 20 HCED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 409540671 HEEBOEHEZFZVSU-SJORKVTESA-N 400.479 0.717 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CCO1 409584471 AGADMSCADCLGHL-KRWDZBQOSA-N 410.471 0.623 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 427288363 KYMVJQVVIWKCAG-UHFFFAOYSA-N 419.488 0.628 30 20 HCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430387644 VRRKFXRDPZRYKF-UHFFFAOYSA-N 406.464 0.884 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)nn1 441782004 ARRFVHJKJDULAJ-GFCCVEGCSA-N 416.463 0.958 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)n2)c(F)c1 442102869 YXOBBXALEKDETQ-ZDUSSCGKSA-N 403.439 1.148 30 20 HCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(=O)c1C#N 460424318 JACUNYPUNVZRDT-UHFFFAOYSA-N 418.450 0.701 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460605980 KVPNASZJIVCRNT-INIZCTEOSA-N 423.477 1.151 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 463194256 QMVBTOGGCPKZLC-MAUKXSAKSA-N 416.507 0.496 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)n(C)c1=O 468657458 GCUNHEULWFXYBT-VLIAUNLRSA-N 414.466 0.278 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@@H](C)O1 471619057 MKWVNJVFESBXHI-CHWSQXEVSA-N 410.456 0.337 30 20 HCED COc1ncncc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 474074191 QGIRTPIJARMGOW-UHFFFAOYSA-N 402.436 0.895 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C)cn2)c1=O 474351634 LWJKITRRFICVNA-INIZCTEOSA-N 412.515 0.822 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1Cc1ccon1 478838380 GGPWBQALJTXJCE-UHFFFAOYSA-N 424.486 0.529 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2n1CCCCC2 480428485 QMCYACDNGOGZHK-CYBMUJFWSA-N 402.480 0.859 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 485056230 PKPIYCJFXCYFBG-JLTOFOAXSA-N 410.434 0.792 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cn1C 486115951 MVDRUFCQDIBPRQ-AWEZNQCLSA-N 416.507 0.934 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)C1=O 497989115 HEKMGPQQWWZKRX-JKSUJKDBSA-N 408.449 0.929 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)c1 507393261 LRQXCQCVZHSNRS-UHFFFAOYSA-N 400.508 0.980 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCCC(=O)OC)c1=O 512762386 RIBBWUXDBFPKEO-UHFFFAOYSA-N 416.503 0.808 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCc2cccc(C(=O)N(C)C)c2)C1=O 513043224 YOICTWNMYCCLIX-QGZVFWFLSA-N 400.479 0.292 30 20 HCED CN1CCC(N2CCC(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 515162179 AMXPFTNBPQGNRN-UHFFFAOYSA-N 419.551 0.511 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)CCCCC#N)c1 517601518 KHABIQIGQSXTIE-GFCCVEGCSA-N 402.498 0.535 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 521846703 DHPWORSYPVYJOO-UHFFFAOYSA-N 423.477 0.757 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc3c(c2)CCS3(=O)=O)cc1 521945805 KLJVMZPMKWFBSX-UHFFFAOYSA-N 419.484 0.483 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C)cc2)C1=O 524689194 VOELYDZIJXYDHS-AWEZNQCLSA-N 416.459 0.812 30 20 HCED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cc(C)nn3CCC#N)C2=O)cc1 533003334 VFFFXMWCAHXOIQ-QGZVFWFLSA-N 424.461 0.970 30 20 HCED CN1CCN(c2ncccc2CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536973934 GBMIZJOAJNRLGN-UHFFFAOYSA-N 424.509 0.911 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 545297082 YYEVHJRJEZWYNN-ZDUSSCGKSA-N 420.433 0.680 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](c2ccnn2C)C1 549335026 RLFOALHQAMFTFY-INIZCTEOSA-N 418.461 1.526 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCCn2ccnc2)CC1 549917805 ZGYYXSRKNMVHTP-UHFFFAOYSA-N 423.433 0.858 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCO)CCOCC(F)(F)F 550139126 ZJITTZDMHBWDMC-GFCCVEGCSA-N 423.413 0.625 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 552867303 IMHYELILNAPYLJ-PXNSSMCTSA-N 414.506 0.549 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Br)c1C#N 553436135 JEVDILPHAMKSQK-NSHDSACASA-N 416.253 0.373 30 20 HCED C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 559792202 GOTWXPBHLBJMHN-HUUCEWRRSA-N 403.531 0.739 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC[C@@H]3CCCCO3)CC2)c1C#N 588823611 PGZKAIOXBJAQEZ-INIZCTEOSA-N 402.499 0.714 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nnnn1-c1ccccc1 589422400 NDHRREYYUKFIDZ-CYBMUJFWSA-N 411.447 0.690 30 20 HCED N#Cc1cccc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 589482275 PDVROVXEIWVZBD-UHFFFAOYSA-N 400.416 0.527 30 20 HCED CN(C)c1noc([C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 589518082 VHHGYIGUQJCDHK-AWEZNQCLSA-N 418.479 0.692 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N(C)CC(=O)Nc2cccc(OC)c2)c1 602253496 UCCCIHITNNSOIR-UHFFFAOYSA-N 412.402 0.612 30 20 HCED N#C[C@@]1(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CCSC1 604544607 PHKOIBCLTZRYBK-HNNXBMFYSA-N 401.535 0.961 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C(=O)OC)C2CCOCC2)cc1 609956638 FRKPVHNWGBBXRS-KRWDZBQOSA-N 417.462 0.873 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)NC2CCN(CC#N)CC2)c1 610594223 MUMSOTGIODQCRR-UHFFFAOYSA-N 414.470 0.809 30 20 HCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 611015904 MCVRIQPMRUVFBA-UHFFFAOYSA-N 406.917 0.067 30 20 HCED C=CCCOCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611655551 BYQKQUKMRQSLQC-ZFWWWQNUSA-N 413.452 0.428 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 728531908 LAVUBOXZAXRAKR-IBGZPJMESA-N 400.498 0.931 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 731122973 XKWGGGCGIPEKEM-UHFFFAOYSA-N 401.444 0.643 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1 732074072 QTGWZWDBNQMSJW-QGZVFWFLSA-N 402.495 0.817 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](CN1CCOCC1)c1ccccc1 732442375 PJVRMCVYORVAMG-SKQREZPOSA-N 413.478 0.886 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CS(=O)(=O)CCCc2ccccc2)CC1 733148599 DONZQUTXOCVGIB-UHFFFAOYSA-N 419.547 0.318 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CCOC 742530632 BHZISIOCCQRWDK-UHFFFAOYSA-N 415.515 0.439 30 20 HCED C[C@@H](CC(=O)NCC(=O)Nc1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 742614202 RUUWZFNLBJVRAX-LBPRGKRZSA-N 401.448 0.654 30 20 HCED CCn1c(S)nnc1CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742652253 BAFZWMNRZOVTMM-NSHDSACASA-N 422.536 0.763 30 20 HCED COC(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C(=O)OC 743229513 KMXBSKVACDYJMT-FOCLMDBBSA-N 416.390 0.908 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C 744538999 BJXIHFXOUWABGF-IEMQHYRPSA-N 414.422 0.932 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cn1ccccc1=O 744993433 GRYMCUIGQYPEKB-UHFFFAOYSA-N 422.397 0.771 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745433070 HRYBFOUSVBNWOA-CQSZACIVSA-N 423.491 0.713 30 20 HCED N#C[C@@H](C(=O)c1ccc(C(N)=O)o1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 747211127 VGLGLJJSYSXTLC-AWEZNQCLSA-N 411.374 0.958 30 20 HCED C#CCCN1CCC(NC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)CC1 750331408 QLKFSJSOHADWHK-UHFFFAOYSA-N 407.482 0.468 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCS2)CC1 750896722 UDFUTTFVKFVUIO-OAHLLOKOSA-N 423.516 0.830 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758756621 YRLUHJYIHVNSTF-HIFRSBDPSA-N 409.487 0.682 30 20 HCED COC(=O)[C@H](CC(F)F)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 762358142 OSMVQARQOYDYHR-NSHDSACASA-N 403.407 0.818 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 764075730 OJPZYUXSJJNEOU-PXNSSMCTSA-N 418.563 0.696 30 20 HCED CC1CC(C#N)(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)C1 767420778 CIUPIEVFXZRMRV-UHFFFAOYSA-N 410.430 0.843 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)CC1 771320343 CMHZTKGRMSNHNF-UHFFFAOYSA-N 410.474 0.345 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)[C@@H]1CCCO1 773797288 QZKSRRMGSHJVBU-CVEARBPZSA-N 405.476 0.671 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3CC#N)CC2)C[C@@H](C)O1 777300053 AVYPNEOXDWYGSR-IAGOWNOFSA-N 420.535 0.793 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1 777953259 KTCWJTZAAKLHOM-UHFFFAOYSA-N 408.480 0.311 30 20 HCED 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408.415 0.494 30 20 HCED C#CCN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 790961834 OAOOEMSIGAFJQF-CYBMUJFWSA-N 405.398 0.709 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(CC)c1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 799260854 BTLJJSGMWQGJGX-JTQLQIEISA-N 406.386 0.509 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801284984 KFRWSQFYJKVGHP-MRXNPFEDSA-N 411.553 0.663 30 20 HCED C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 802323662 LKNLMVOQMOVHQD-JGWKNBOWSA-N 420.491 0.776 30 20 HCED CO[C@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 807407321 AEJNOEQKSIRTFF-MMOSJZJFSA-N 410.496 0.931 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)CCO1 809857680 NELADQQZDZLCSR-HOTGVXAUSA-N 400.501 0.979 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278195 DAYHWKJPUAVCFT-UHFFFAOYSA-N 405.430 0.243 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccc(F)cc1 813041441 LBKXUDZPLASDBZ-MRXNPFEDSA-N 413.409 0.310 30 20 HCED 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30 20 HCED C[C@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nccnc2C(N)=O)C1 1779940615 URFSXLXLLQTSCF-VNBZBWLYSA-N 407.496 0.021 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780040333 ZJOQXVJMMQMGFB-VGOFRKELSA-N 423.473 0.630 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)Cn4cc(Cl)cn4)CCO3)C2)c1 1780332988 MWVZFVNAENQAAU-GOSISDBHSA-N 402.842 0.880 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1780361130 SFQMWTZBYKUHKB-BZNIZROVSA-N 415.372 0.305 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C(C)(C)OC(=O)NC(C)C)C2)C1 1781017780 DRNMGIZPVJHLIN-IIBYNOLFSA-N 423.510 0.768 30 20 HCED O=C1C[C@@H](C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#Cc2ccccc2)C3)CN1 1781773783 SJOMRQIAZCVVDT-DNVFCKCGSA-N 409.486 0.688 30 20 HCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CCC(=O)N1)C2)C(F)(F)F 1781804614 HGOSGYGWWGTGDT-OGHNNQOOSA-N 403.401 0.897 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782603983 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407.455 0.983 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(CO)on3)sc2C1 1821692389 FTJONPJJVNJGRP-MNOVXSKESA-N 404.448 0.888 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)[nH]n1 1822200989 SZIQRARIHLBKHV-NSHDSACASA-N 400.351 0.005 30 20 HCED C#CCCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2C(=O)CNC2=O)CC1 1824905088 VEGQHKIINWAVOZ-QGZVFWFLSA-N 402.495 0.961 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829849876 YLDMIKFWXHVEHI-APWZRJJASA-N 413.540 0.277 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1831214900 BMCIJUCVAVZKHW-QFIPXVFZSA-N 408.458 0.998 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1831394109 WONCHGBOBZVMLR-BEFAXECRSA-N 407.492 0.180 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4C=CS[C@H]43)C2)C1 1831401851 HGWLSHATSLCAJY-FLXNRXMOSA-N 406.504 0.356 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3noc(C)c3C)CCO2)C1 1831972301 ZRVMVZXLTOSXRI-OXQOHEQNSA-N 405.451 0.400 30 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N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](O)CN1CCc3ccccc3C1)CC2 487723071 FMCUKXABLKNSSJ-HXUWFJFHSA-N 404.470 0.983 30 20 HCED C=CCn1cccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 488474050 DTJCNQKBKSEHQZ-UHFFFAOYSA-N 403.508 0.951 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 491052403 QIPOOQBXFWVUQS-UHFFFAOYSA-N 400.483 0.067 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)nn1CCC#N 504101058 UVFYCPCQFRRZAC-ZDUSSCGKSA-N 415.406 0.329 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CC2 514944468 GYQMRMIQSPBYPI-ROUUACIJSA-N 407.478 0.254 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCCC2=O)c1=O 515565634 LTPFXRORALDJMB-UHFFFAOYSA-N 409.446 0.340 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCCN(Cc3ccccc3C)CC2)c1=O 517978853 FLDIEEZCOUJMMS-UHFFFAOYSA-N 409.490 0.945 30 20 HCED CCO[C@H]1C[C@H](O)C12CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 532582143 KKUJSEBOCLCPEJ-ROUUACIJSA-N 417.510 0.755 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccnc(OCCN(C)C)c3)no2)C1=O 546491305 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HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)CC2)cc1 604147828 CFRWTLPJQWGUNB-UHFFFAOYSA-N 416.445 0.817 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(C)CC2)cc1 606035099 SEBLPWWNSIEMAX-UHFFFAOYSA-N 416.482 0.213 30 20 HCED COCCN(CCC#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 610486075 NKXHIQZQNJTKGQ-UHFFFAOYSA-N 422.507 0.542 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 610928783 LCBBOYKUJHGOHT-UHFFFAOYSA-N 422.919 0.235 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1Cc1ccon1 610955704 WGXHVISDXPGUOV-UHFFFAOYSA-N 406.423 0.941 30 20 HCED CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)c(OC)c1 611182730 HECSKZNROZFOCP-UHFFFAOYSA-N 416.525 0.723 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(CC#N)c2)C1 619499607 XUPUDDVCLGUWDP-QGZVFWFLSA-N 415.537 0.814 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C1=O 726043000 IOLZTNXHHHDYSO-STQMWFEESA-N 417.418 0.781 30 20 HCED COC(=O)c1ccc(COc2ccc(C=NNC(=S)NCC(N)=O)cc2OC)o1 731928163 IXKQSZJGPXPPRP-UHFFFAOYSA-N 420.447 0.937 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 740823286 PYYJEOHMHLVXTI-UHFFFAOYSA-N 411.911 0.641 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)N(C)CCC#N 745433398 RQLDYAGUBTZPFL-CYBMUJFWSA-N 409.464 0.466 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 750607645 YPIVXPQEPZLVKF-UHFFFAOYSA-N 409.512 0.816 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1Cn1nc(N2CCOCC2)n(C)c1=S 756876943 PPDIEURBXSKDIU-AWEZNQCLSA-N 415.527 0.618 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 757290276 DDMYWYUCIZGUNA-CQSZACIVSA-N 417.433 0.605 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NC1CCN(CC#N)CC1 760813160 HRVHYNCAUKPUFX-MRXNPFEDSA-N 407.515 0.996 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)Nc2sccc2C#N)c1 764030405 PNPOOIFRGVUFRI-UHFFFAOYSA-N 412.449 0.668 30 20 HCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)cc1 770848933 ZKOYUPGSLJQWTI-INIZCTEOSA-N 416.459 0.979 30 20 HCED N#C[C@@H]1CN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCO1 772754860 LNHCVZAJGRMRJS-QVTJDRNWSA-N 401.448 0.458 30 20 HCED N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)nc1 780347788 WXRJVSCXRPTUHJ-UHFFFAOYSA-N 404.408 0.639 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCNS(=O)(=O)Cc1ccccc1 781357847 XIZBCVZWQWBTPP-UHFFFAOYSA-N 419.511 0.557 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Br)nn2C)c1=O 782640474 PKNFRCIMZHROIR-UHFFFAOYSA-N 422.308 0.207 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 785065058 IYNQMIVISMDDNE-FQEVSTJZSA-N 416.409 0.613 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 785163474 DYLHMIZKCXXSBH-UHFFFAOYSA-N 407.492 0.812 30 20 HCED CC(C)(C#N)CC(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 786473562 NDSWUITVUVWFQZ-UHFFFAOYSA-N 423.491 0.920 30 20 HCED COc1cccc(N2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2)c1 787756116 YRXSZCUILSIKTR-MRXNPFEDSA-N 408.462 0.885 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)C1=O 793643662 GHJDABNDYCVRHD-LSDHHAIUSA-N 408.499 0.651 30 20 HCED C[C@](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C(=O)O)c1ccccc1 799251931 YAGGRYSHYBHPLV-LJQANCHMSA-N 401.444 0.884 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(Br)cnc1-n1cccn1 799283522 IRDTVZZZIZGSGW-LBPRGKRZSA-N 406.240 0.859 30 20 HCED CCN(CCOCCO)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 800606226 MBXDBISKTMNBKF-MRXNPFEDSA-N 411.524 0.997 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c1 804004451 LSMNKTRTZLJYCU-UHFFFAOYSA-N 423.448 0.779 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 804081469 NRHKIHYWZAHPCD-UHFFFAOYSA-N 423.311 0.866 30 20 HCED C[C@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)CC1(C)OCCO1 804401025 DHQCDQSWWZZVEY-HNNXBMFYSA-N 415.494 0.944 30 20 HCED C#CCCCS(=O)(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 804941607 XOWNCMJCIGRDMY-UHFFFAOYSA-N 415.493 0.864 30 20 HCED C[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H](C)CN1C(=O)OC(C)(C)C 805062581 YWFFSNDEFZOUJW-HUUCEWRRSA-N 407.515 0.947 30 20 HCED CON(C)C(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 812713896 UOCZNQGFSPSAGF-UHFFFAOYSA-N 422.507 0.764 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nn1cnn(CC)c1=O 816736253 PARREXVCSQFTJK-CYBMUJFWSA-N 406.468 0.432 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CN1CCOCC1 920465456 TUMYRYMDXRLANE-WBVHZDCISA-N 422.551 0.977 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 1252536402 BFYCUGSAWJFBAF-INIZCTEOSA-N 405.524 0.834 30 20 HCED CC(C)SCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1303575127 SCWLOWXGWNKGSM-CHWSQXEVSA-N 402.546 0.759 30 20 HCED Cc1nc(C#N)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1306924442 VNWJNBBKGOGSEH-UHFFFAOYSA-N 401.448 0.939 30 20 HCED Cn1cccc1-c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314912452 UHGQOCRJFFTZBV-IBGZPJMESA-N 418.523 0.963 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1316349578 VBXYHLBOOCSGDY-CQSZACIVSA-N 419.463 0.837 30 20 HCED C#CCN=c1nc(N2CCCN3CCC[C@H]3C2)[nH]c(N2CCCN3CCC[C@@H]3C2)n1 1328522868 LOTQTZCQNITKJU-KDURUIRLSA-N 410.570 0.688 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CC2(CC(=O)N3CCOCC3)CCCC2)CC1 1348980161 UFGAZBRPYYPQNZ-UHFFFAOYSA-N 418.538 0.079 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)c2C1 1356088688 SSYCUZAKKDMCDG-JKSUJKDBSA-N 403.483 0.835 30 20 HCED C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359140765 LNIABRFYXANXFR-LBPRGKRZSA-N 404.924 0.639 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1510831868 YRZDMQRAHBLKDO-DYVFJYSZSA-N 407.452 0.125 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 1560201719 VNCGNHIUTACTCW-ZDUSSCGKSA-N 411.505 0.709 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1616950067 IIBKPKYFRPPJMK-SFHVURJKSA-N 405.547 0.817 30 20 HCED N#Cc1cn(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(=O)nc1O 1639957861 IRNKNEBBGYMKFR-INIZCTEOSA-N 412.837 0.883 30 20 HCED N#Cc1c[nH]c(=O)n(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1=O 1656660045 BQMBNWFMVVGKIK-UHFFFAOYSA-N 403.442 0.906 30 20 HCED CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1696878335 OKXSDMDIEFYKAV-GHTZIAJQSA-N 423.477 0.524 30 20 HCED CN(C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCSC1 1711004491 RMYTXKYEKIRXKN-DNVCBOLYSA-N 419.555 0.567 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cccs2)cn1 1711251685 PXGGKLPFVGPQAP-CQSZACIVSA-N 412.479 0.899 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1741924242 UWFIFPMEURRNPX-DXCKQFNASA-N 413.523 0.670 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1748293434 JVPXMZGWVWYMMX-QGZVFWFLSA-N 422.442 0.665 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnc2s1 1777990155 NKXFWGJOFGPKHG-XIKOKIGWSA-N 422.532 0.826 30 20 HCED CCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016344 RWDKRGGQQSYCQF-LQOIVRHRSA-N 402.499 0.818 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CC(F)(F)C(=O)O)CCO2 1779017814 WBRXWIKJSGZMPH-RYFGYPJOSA-N 416.425 0.398 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099271 DJTBHIKFMKWKSX-ILSLNFBPSA-N 407.467 0.384 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2[nH]nc4ncccc24)CCO3)c1 1780335262 WTAHSXFLSZDOPI-HXUWFJFHSA-N 405.418 0.915 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cccc(=O)n2O)CCO3)cc1 1780693826 XGHUENQEIBODBC-NRFANRHFSA-N 408.414 0.715 30 20 HCED C[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccccc1C#N)C2 1781995870 YSQLRDTVWJUSEB-FQELHTAISA-N 401.463 0.832 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1782191985 KYKKNLGZMGXEET-IIBYNOLFSA-N 401.463 0.229 30 20 HCED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782193769 DLTJHLXNBCKURW-HXUWFJFHSA-N 410.434 0.014 30 20 HCED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=O)C(F)(F)F)C1 1782235749 SYVQCFLOQJZUFU-MLGOLLRUSA-N 404.389 0.483 30 20 HCED 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0.807 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 509011282 AWKUOZFDXCWTTJ-UHFFFAOYSA-N 419.239 0.388 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)CC1 510844404 ZZTRNDCKVUWKAA-UHFFFAOYSA-N 408.480 0.881 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 512136420 CZFSZHXJXLMZTB-UHFFFAOYSA-N 403.399 0.534 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512461677 FHHWRRSQGRFOPM-OALUTQOASA-N 406.575 0.211 30 20 HCED C=CCn1c(Cc2noc(-c3ccn(CCOC)n3)n2)nnc1N1CCOCC1 516602105 ZQGZGAWDNGLXKW-UHFFFAOYSA-N 400.443 0.784 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 524180561 KIYHHXACYAQJOI-MRXNPFEDSA-N 408.480 0.848 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 526106168 CYWVRLAZZXPUKG-AWEZNQCLSA-N 423.491 0.843 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 543931336 RSTZHNMDBJAJMR-OCCSQVGLSA-N 416.825 0.485 30 20 HCED N#Cc1cccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)n1 546874956 HRJYGUVPRKEWES-UHFFFAOYSA-N 420.385 0.806 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 552166357 UXUUOFZVDVBKQN-CQSZACIVSA-N 417.897 0.987 30 20 HCED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(=O)(=O)CC)CC1 555255464 LETQPIMIMLPSBK-CQSZACIVSA-N 417.557 0.228 30 20 HCED CN(CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCC1 557743923 ZFBXMMJHOFIDCH-IBGZPJMESA-N 411.506 0.766 30 20 HCED COc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 564606337 TVSBUONBLVCDIS-UHFFFAOYSA-N 402.432 0.260 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@]4(CCOC4)C3)CC2)c(F)c1 565443169 IVLHNSNAYNCKFE-HRAATJIYSA-N 416.453 0.800 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c(C#N)cn1CCOC 572077588 ZRHUUPKISQLNIY-WCQYABFASA-N 412.468 0.737 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1ccc2ccccc2n1 578492364 KBMYXDORCKIIIR-UHFFFAOYSA-N 405.462 1.162 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CNS(=O)(=O)c3cccnc3)CC2)nc1 589380063 YEOXWNGVTQYBJI-UHFFFAOYSA-N 400.464 0.412 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)C2)nc1 589884366 ADYZSPBRUXOSLI-RTBURBONSA-N 414.510 0.522 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 609595092 XTMXGBGMBVPAPZ-OAHLLOKOSA-N 414.509 0.032 30 20 HCED CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC1 610807703 VTPCELUFYDHRGP-PBHICJAKSA-N 406.508 0.988 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCN(CCC#N)CC1 611175903 NQKIQIXEQWCLFZ-UHFFFAOYSA-N 419.551 0.747 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 674400174 NXYUWLRERYRPEK-NYXISSTPSA-N 401.463 0.007 30 20 HCED CN(C)C(=O)Cn1cc(C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nn1 727001360 JZONOXDPERDMMH-UHFFFAOYSA-N 422.405 0.219 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 728573639 SYUPRCRWJXJBMD-UHFFFAOYSA-N 420.535 0.847 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 729946360 BWVNGQGEVZFNHE-SFHVURJKSA-N 404.379 0.918 30 20 HCED CC(C)[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1C(=O)c2ccccc2C1=O 731888714 KAPFGBNMBOAOMA-GROYHEBESA-N 410.430 0.950 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)NC(=O)NC3CC3)C2=O)cc1 733830286 GUMWMNDFQURRHG-AWEZNQCLSA-N 413.390 0.295 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)CC1 742290386 NTYSUMRMRZXYTF-UHFFFAOYSA-N 405.455 0.067 30 20 HCED N#C[C@@H](C(=O)c1ccc(OC2CCOCC2)cc1)C(=O)N1CCS(=O)(=O)CC1 744129885 FDPBBAZHSXSMNT-KRWDZBQOSA-N 406.460 0.824 30 20 HCED CC#CCOC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 744501946 KIRVMLFTELMMBM-UHFFFAOYSA-N 410.430 0.621 30 20 HCED N#Cc1ccc(-c2nnc(COC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)o2)cc1 745480626 ZOEOEUIEMBZCPF-BQGCOEIASA-N 408.370 0.814 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OCC(F)F)cc1 748982242 VJAZXRNJAJSXFW-FOCLMDBBSA-N 408.361 0.912 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 749667681 WDAAWCCVFWYMGJ-UHFFFAOYSA-N 420.338 0.767 30 20 HCED COc1cc(Cl)c(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1Cl 753969626 CMIOLTICZKMGGF-UHFFFAOYSA-N 409.254 0.737 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1nc(-c2cccc(OC)c2)ns1 755347439 DOSMKXHBTARZGQ-UHFFFAOYSA-N 410.477 0.869 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNC(=O)c1ccncc1 766280771 XSVIOINFSHXSJF-CYBMUJFWSA-N 402.432 0.593 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 767552503 TXPZPPHVLGSMOC-UHFFFAOYSA-N 422.445 0.959 30 20 HCED COCCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 770169840 ZMVGJEWTYRSTFA-SWKXRBFHSA-N 417.528 0.805 30 20 HCED COC(=O)Cn1cc([C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 770702270 PJQSZCHQWTZPJG-NWDGAFQWSA-N 421.435 0.294 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 779612154 UKTWCSUZCIHHSZ-GOSISDBHSA-N 421.523 0.888 30 20 HCED COC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 785183220 BYEXKKSKTSPYQP-LBPRGKRZSA-N 414.436 0.420 30 20 HCED Cn1c(CC#N)nn(CN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1=S 794619898 LPPUSUGGGDTLSE-UHFFFAOYSA-N 407.525 0.444 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1=O 798634620 RQAQLPYTEPEMLO-ZIAGYGMSSA-N 402.856 0.309 30 20 HCED Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(-c2cnn(C)c2)c1 802712119 GPEYDJFYJRTARJ-UHFFFAOYSA-N 416.463 0.105 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(-n3ccnc3)cc2)n1 803345853 JBNUZGYKZZVQAW-UHFFFAOYSA-N 420.473 0.993 30 20 HCED CC(C)NC(=O)CN(C)CC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 803696643 QWMNHJKRSOQDOJ-UHFFFAOYSA-N 412.450 0.682 30 20 HCED COC[C@]1(CNC(=O)NCCn2cnc(C#N)n2)CCCN1C(=O)OC(C)(C)C 805823453 HTUUZFKSETYFDQ-GOSISDBHSA-N 407.475 0.865 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1)[C@@H]1CCCO1 809304440 KFXBYYNQPFOBBP-RDGPPVDQSA-N 418.538 0.123 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N([C@@H](C)C(=O)NC)C1=O 813563830 OKMVKTGUULLGEY-IINYFYTJSA-N 405.480 0.847 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnn(C)c2)c1=O 837522110 DZQHRWFBAJMPQV-UHFFFAOYSA-N 403.508 0.099 30 20 HCED C[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1cccc(C#N)c1 844201813 UCQFPVWXTIIFID-NSHDSACASA-N 401.404 0.398 30 20 HCED CC[C@]1(C)NC(=O)N(N=Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1=O 916331586 VDANXEGVFLMMAQ-FQEVSTJZSA-N 418.450 0.987 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)CC2=O)cc1 1116892664 UTZLEFGOMNXWOV-CQSZACIVSA-N 407.434 0.338 30 20 HCED COCC(COC)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1129822927 PEQOCOXQCKFLOK-KRWDZBQOSA-N 400.479 0.717 30 20 HCED CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1=O 1307063113 ZQPWVYQBUWOGON-UHFFFAOYSA-N 420.481 0.837 30 20 HCED CNS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1315072959 JRDQJTMUCADTTH-MRXNPFEDSA-N 420.495 0.178 30 20 HCED CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1315199498 WKNKANCYEDOXLD-NORZTCDRSA-N 400.480 0.755 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCCC2)C1 1316532394 OCLQBNLNQXCHIP-IBGZPJMESA-N 403.462 0.888 30 20 HCED CS(=O)(=O)N1CCc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc21 1318453039 WYLUEUZSQXELMF-FBMGVBCBSA-N 404.448 0.265 30 20 HCED O=C(CC#Cc1ccccc1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1319333606 OTCDZLCGCGVCHZ-GOSISDBHSA-N 404.488 0.303 30 20 HCED COCCNC(=O)CN1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1322737600 BSGVRXRWRYSRNW-QGZVFWFLSA-N 422.489 0.604 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 1325188463 AXXAADWCWFSMBU-HZPDHXFCSA-N 416.503 0.501 30 20 HCED CN(CCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1328357694 WWWGGJAJHBWQKQ-OAHLLOKOSA-N 421.479 0.161 30 20 HCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1354429372 QPWQZUGNNVPFLF-CQSZACIVSA-N 410.500 0.651 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1474966293 OSKGCQSSGNSCIU-KCJUWKMLSA-N 407.217 0.757 30 20 HCED C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512518988 RPZMODBDRGYZAM-NUJGCVRESA-N 414.514 0.907 30 20 HCED C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1541815844 QVSHJGZAHBMMGH-VBKZILBWSA-N 414.466 0.580 30 20 HCED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNS(=O)(=O)CC 1546528586 VBBGAUDSVHAHTL-UHFFFAOYSA-N 418.527 0.373 30 20 HCED CC[C@](COC)(NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1556921043 PNIVZSPOOGLLHV-KZULUSFZSA-N 411.480 0.588 30 20 HCED COc1ccc(C#N)cc1NC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1562280931 NEEMZDJORXBVNB-UHFFFAOYSA-N 415.497 0.689 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1562762514 OYMNSOJSDFYOPB-UHFFFAOYSA-N 421.461 0.865 30 20 HCED CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1618845725 NWUFBEANPCKVAL-AWEZNQCLSA-N 416.511 0.804 30 20 HCED Cc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 1635906060 VXPUFHIXSBOWCL-UHFFFAOYSA-N 406.508 0.687 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)N(CCO)CCN3CCOCC3)CC2)c1 1683704318 XYTJOBVDSJQZDF-UHFFFAOYSA-N 415.538 0.859 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cccn1 1692788260 ZRDZEBGPPQKHDF-CJNGLKHVSA-N 410.479 0.617 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCS(=O)(=O)CC1 1747194858 NQIFIAHUPXQNAR-KRWDZBQOSA-N 422.555 0.816 30 20 HCED C[C@H](CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1751162272 RKFXBEBJBAKYGJ-IAGOWNOFSA-N 401.515 0.975 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)CCO1 1771536383 RAKPMEXGUXYCLG-LLVKDONJSA-N 420.380 0.035 30 20 HCED Cc1ccn2c(=O)c(C(=O)N3CC[C@]4(CN(C(=O)CCC#N)CCO4)C3)cnc2c1 1777995292 LAXAVWOCWRFZPR-NRFANRHFSA-N 409.446 0.750 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)N(C)C(C)=O)C1 1778103896 KMLUNNNELQKOGS-CTWQGKMFSA-N 423.554 0.940 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1778971457 MVQOWEZLDNZXCY-FOIQADDNSA-N 404.467 0.502 30 20 HCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779015753 CYHKZXBSUQCNFM-AVBGGIPMSA-N 416.526 0.821 30 20 HCED Cc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779063116 PQCYFKVEDCHGAK-QFIPXVFZSA-N 412.490 0.927 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1779107441 VCHWQEKTFXMEGO-UDJWRJMGSA-N 419.482 0.701 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779529476 PPWPMPFAPATCJZ-BFUOFWGJSA-N 419.438 0.419 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1782205764 ZNEWOIVRXSYACH-HEFCMCLBSA-N 407.467 0.420 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CCC(=O)NC4)C[C@@H]32)cc1 1783601077 QDGFPEGOHPBKEI-FYQPLNBISA-N 424.501 0.607 30 20 HCED COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)n1 1783892782 GKUZPZOXFPFUNK-GTNSWQLSSA-N 410.452 0.760 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1)C(F)(F)F 1783932677 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C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834208436 LRLHLSYGOFQFBS-JXFKEZNVSA-N 407.467 0.626 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3c(s1)CCC3)CCO2 1834548541 JTZWJIQUPUWKRW-FQEVSTJZSA-N 418.471 0.395 30 20 HCED CC(C)(C)OC(=O)NCCCC(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834767685 OZUOCJOOQMNAGI-HXUWFJFHSA-N 424.498 0.661 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnc4)C3)C2)CC1 1835341110 OVUBZLJYHBLBQT-HXUWFJFHSA-N 400.435 0.221 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)C1 1835352115 OVOHSOWAIQVRBV-RZQQEMMASA-N 407.467 0.336 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nc2nccn12 1835361659 WHVPUGWRCWDQNN-HXUWFJFHSA-N 412.450 0.412 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835801314 PRBPXAABPCXYSK-LIRRHRJNSA-N 422.507 0.142 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837394897 KWKGQOJFKNHVOX-OXQOHEQNSA-N 404.467 0.120 30 20 HCED 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CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(O)cc(O)cc3O)CCO2)C1 1839371106 ZWEQWDNWSSMSNL-FQEVSTJZSA-N 419.434 0.423 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3(CC)COC3)CCO2)C1 1839777528 VJPUQGOMPSATNA-KKSFZXQISA-N 410.511 0.443 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839842308 SCXGTZAAQSKFHA-JXFKEZNVSA-N 409.483 0.497 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C(F)F)C2)C1 1840160217 BKONCESPXNQXJI-PIGZYNQJSA-N 418.466 0.746 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cncn3)CCO2)C1 1840421342 PECGSKYGQQHVBX-YOEHRIQHSA-N 413.425 0.507 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1843820217 JUBHDHVZSLOFRX-KGLIPLIRSA-N 423.441 0.625 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844230021 KGUAJBOSSDGIQM-OPBOMBAJSA-N 409.487 0.426 30 20 HCED O=C(NCC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1)c1ccco1 1844282403 MANTXEQCXOAVGD-UHFFFAOYSA-N 413.474 0.911 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1844286416 MEUCRJQVHMQISC-HZPDHXFCSA-N 410.467 0.258 30 20 HCED CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1845520907 KZAHZPUVAPZMIS-UHFFFAOYSA-N 400.391 0.566 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)cc1 1846459080 REZLVNTUFYBMBR-UHFFFAOYSA-N 406.442 0.619 30 20 HCED C=CCSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1CCN(S(C)(=O)=O)CC1 1848063619 YGMFCPVQGYNYNE-HOTGVXAUSA-N 415.581 0.779 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H](CCO)c2ccccc2Br)CCO1 409489665 AVEUMJMQCYMXTO-SMDDNHRTSA-N 404.286 0.931 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 409557552 UMGBBHOFIIKEKC-LBPRGKRZSA-N 422.479 0.607 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CCO1 409579963 ILQOIKBYNIZDKF-NWDGAFQWSA-N 403.258 0.034 30 20 HCED COC(=O)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 410123143 OUIVCGQNORNICX-CYBMUJFWSA-N 403.407 0.799 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O 427903267 JTXVWFMEZNWDBH-IAOVAPTHSA-N 405.476 0.822 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 429009398 OSDYHGYPDIBGBH-VQIMIIECSA-N 422.526 0.901 30 20 HCED C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 435434099 QLMZQACNKRKGMO-UHFFFAOYSA-N 404.510 0.916 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 437477738 HARMLFZDGDSVEW-KXBFYZLASA-N 411.524 0.976 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 437726363 AOOFXBAIPHIRMK-ZIAGYGMSSA-N 418.498 0.838 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)n1 442031367 NADXWRMCDGWEHH-UHFFFAOYSA-N 416.463 1.235 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 442437541 FEJYZWSTRNNZTE-NSHDSACASA-N 413.463 0.651 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cn1 443154520 QRPCFGKJSKDFQM-UHFFFAOYSA-N 410.312 0.977 30 20 HCED COCCn1c(N)c(C(=O)CN2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(O)nc1=O 447908535 BRROBVOQOZNXDP-IFXJQAMLSA-N 405.455 0.287 30 20 HCED Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 448304982 YSZJNSLYINZZFY-HNNXBMFYSA-N 423.477 0.868 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 463121928 ZDZGYWWBIRPUKG-HXUWFJFHSA-N 420.469 0.874 30 20 HCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465416320 KICFQTDIWZJSEQ-CQSZACIVSA-N 422.445 0.740 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H](CCC#N)c1ccccc1)C2 466809207 MFUAEWOMNJDLGC-INIZCTEOSA-N 411.466 0.703 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 471759131 NITKIYXECKIXSG-OAHLLOKOSA-N 407.492 0.569 30 20 HCED CN(CC(=O)N1CC(O)(CC#N)C1)S(=O)(=O)c1ccc(Br)cc1 473374183 PCYANNXQEHAYBT-UHFFFAOYSA-N 402.270 0.557 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 475733080 JLBLVHUJDACOHI-AEFFLSMTSA-N 402.561 0.802 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnc(C(=O)N(C)C)c1 482225981 VCLRSEXUWPIRMZ-LBPRGKRZSA-N 401.448 0.961 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N(CC(F)(F)F)C1 488657560 HUIREEGAKNHMSL-UHFFFAOYSA-N 414.340 0.713 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)C2)nc1 489558333 WIULVLAKZUXEJU-AEXBHSQCSA-N 421.457 0.923 30 20 HCED N#Cc1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c(OC(F)F)c1 498970773 WEHZXNZABIPSEU-LSDHHAIUSA-N 401.435 0.435 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)N2CCc3cc(Br)cc(F)c32)n1 508303059 DMIJBASRYSKTFG-UHFFFAOYSA-N 407.203 0.757 30 20 HCED N#CCCCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 510308120 ANRPFEFHEHIUFD-QGZVFWFLSA-N 400.435 0.449 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 510691916 WWBCDWOZDOLMLX-UHFFFAOYSA-N 410.495 0.735 30 20 HCED C=CCn1nnnc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 512565728 PXOWCGQUIRLDNN-UHFFFAOYSA-N 424.508 0.611 30 20 HCED CCCn1c(N)c(C(=O)CN2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513978573 OSDIYUUTVCCUDA-LAJNKCICSA-N 422.445 0.469 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)nc1 517762024 YUPRBSSSZYCIJV-UHFFFAOYSA-N 421.429 0.859 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCOC2)cc1 523065274 AJLATZAPEBEOGE-FUHWJXTLSA-N 401.463 0.953 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 527277797 PBBSYKLCQJHZNJ-UHFFFAOYSA-N 411.462 0.894 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 532101649 ORPXVLCIWUREMV-OAHLLOKOSA-N 423.495 0.909 30 20 HCED COCCOc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 532457650 FHVZRUFSZFKHNX-CQSZACIVSA-N 418.475 0.962 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2C(=O)c3ccccc3C2=O)n1 538075474 HIXYNFCHZOXJDF-UHFFFAOYSA-N 408.418 0.861 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 538599510 UZXQDQYKENAVJF-UHFFFAOYSA-N 423.491 0.292 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1CC(N)=O 542794141 WRAWOCZBPQEXNT-UHFFFAOYSA-N 416.890 0.162 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 550568445 LNBBFQYWOMSBMX-UHFFFAOYSA-N 404.492 0.768 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)C1=O 550887361 ITSSKIFCZWOVJN-UHFFFAOYSA-N 412.446 0.726 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 553438123 SICLZSYPIJSWBQ-UHFFFAOYSA-N 400.438 0.451 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](CC(N)=O)C3)C2)c(F)c1 553808709 ZLTRUJXDXJURQN-HZPDHXFCSA-N 415.469 0.896 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2ccnc(N3CCCC3)c2)CC1 555878395 VWTPBXUKWFGTQQ-UHFFFAOYSA-N 419.489 0.913 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCSc3c(F)cccc32)CC1 556224919 VYSGGWYTZGDPNX-INIZCTEOSA-N 420.510 0.925 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1 557585879 SWVMMPIAFJEWCG-NSHDSACASA-N 408.299 0.762 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 558495805 ANMPXFGYVSNKHS-ZBFHGGJFSA-N 401.398 1.132 30 20 HCED N#CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 567318226 XYDSQUYKBOEJJP-UHFFFAOYSA-N 412.777 0.393 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)CC(=O)NCc2cccc(C#N)c2)cc1 577415605 BWQBZUIRXANAKD-UHFFFAOYSA-N 421.500 0.899 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587648618 ZKYNOVUBCHDXHK-RHSMWYFYSA-N 401.467 0.348 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1 604213999 REROKVDQJUJIKI-HNNXBMFYSA-N 408.480 0.848 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 608819347 XJIUHCMKWAXBCU-HNNXBMFYSA-N 410.521 0.872 30 20 HCED CN(C)c1nc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cs1 610531992 CHVNPZBGYHOMPT-UHFFFAOYSA-N 410.463 0.975 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 610596922 VRGPWDCZQFTFIL-MGPUTAFESA-N 411.466 0.505 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c1cnn2CCO 610859087 MBPRHTIJEXZGRI-CXAGYDPISA-N 417.491 0.608 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 611265650 CANDJGAXNBNWTH-ABHNRTSZSA-N 413.478 0.887 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c(Cl)c1 619538248 RPQNSLIPQDXCST-UHFFFAOYSA-N 419.890 0.471 30 20 HCED N#CC1(NC(=O)COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCCCC1 726671824 XAYMHBDOJJCPJD-UHFFFAOYSA-N 421.475 0.881 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 728570787 MXWYTAMPWJISJS-UHFFFAOYSA-N 416.482 0.797 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1 730541894 NKDADVDVMPASLE-UHFFFAOYSA-N 414.429 0.840 30 20 HCED COC(=O)c1ccc(Cl)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731851234 NANCSIAITIVHPX-PFONDFGASA-N 413.839 0.931 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1cccs1)N1CCOCC1 732439808 QLISYKGICHERFZ-DNZUHHBVSA-N 419.507 0.947 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCCCC2=O)C1 732773425 SNRUVRDIXWCMFO-AWEZNQCLSA-N 404.492 0.729 30 20 HCED C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 733860860 IMADYZLDSKGTRH-BMFZPTHFSA-N 406.460 0.904 30 20 HCED CN(CC(=O)Nc1nc2n(c1C#N)CCS2)C1=NS(=O)(=O)c2ccccc21 735635638 MMSTYXCQGRZBRM-UHFFFAOYSA-N 402.461 0.880 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 740518330 OHHSCPXRWVFOIL-UHFFFAOYSA-N 405.476 0.589 30 20 HCED CC(C)(CCS(C)(=O)=O)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 742846967 GDHAYSYNCWKMIZ-UHFFFAOYSA-N 401.510 0.445 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C)c2=O)cn1 743727276 HVIWGYAFYFEEBK-UHFFFAOYSA-N 423.498 0.456 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 748378338 DOBFOVLLECAPLA-NSHDSACASA-N 407.383 0.338 30 20 HCED CNC(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748398213 FNYWDLOZQQBVPC-UHFFFAOYSA-N 421.523 0.769 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)cc1 749666917 NMFUPASLERHMLM-UHFFFAOYSA-N 400.479 0.650 30 20 HCED CC(C)N1C(=O)C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751399567 MVHMJYNEXIDSST-CYBMUJFWSA-N 406.464 0.157 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756230701 HVHJWCAOQWJILI-WRFANHODSA-N 408.414 0.451 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(OC)c(OC)c2)CC1 761030728 LCJJVNLBOORUKL-AWEZNQCLSA-N 410.496 0.116 30 20 HCED C#CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 767308524 KRZIZCUNLUBUJL-UHFFFAOYSA-N 411.549 0.801 30 20 HCED CS(=O)(=O)CC1(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 767544545 ZVOBWBIUIOGQLU-UHFFFAOYSA-N 400.478 0.860 30 20 HCED COCCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)c3nccn3C)cc2S1(=O)=O 770872108 RSIXRHNJWCGDQH-ZDUSSCGKSA-N 416.415 0.416 30 20 HCED CC[C@@H](C)Oc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 771888284 AVIOBIBPFBIQMM-GFCCVEGCSA-N 424.479 0.582 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 771943617 ONLQEJZTVOPWPV-UHFFFAOYSA-N 414.325 0.813 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1)[C@H]1CCCO1 773798454 UDYYKLYVPVYPHC-LSDHHAIUSA-N 423.491 0.571 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 782118994 YHKVVMQKAFYSAA-UHFFFAOYSA-N 422.507 0.011 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 783482080 UIRKOYJFZNDSIQ-OAHLLOKOSA-N 407.448 0.842 30 20 HCED C#CCOCCNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 784605246 DUFILGOUJKXDFC-UHFFFAOYSA-N 423.535 0.933 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c(F)cccc2OC(F)(F)F)c(=O)n(C)c1=O 789038850 SPVSNWAQQVRTBW-UHFFFAOYSA-N 424.332 0.434 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(c3cc(OC)ccc3OC)=NO2)CC1 792135644 DZAAGIURXYIWRF-LJQANCHMSA-N 414.462 0.090 30 20 HCED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCCOC2)O1 796506489 RTDJZSBMHUNHEG-KUHUBIRLSA-N 407.492 0.912 30 20 HCED COC(=O)C[C@@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 796932524 DQTBAEVUHPXUQJ-ZYHUDNBSSA-N 412.420 0.152 30 20 HCED COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798744716 AZKHRKWFAFYXCY-LBPRGKRZSA-N 400.395 0.326 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)CCO1 802545482 IYAZVHJLAKCZPL-INIZCTEOSA-N 400.439 0.326 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)NCCn3cnc(C#N)n3)cc2)C1=O 805474155 USXUSHNOSSHNOP-FQEVSTJZSA-N 422.449 0.874 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C#N 809504349 JKMNFJLEUZRJQC-MRXNPFEDSA-N 422.507 0.503 30 20 HCED C#CCN(C)c1cnc(-c2noc(CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)cn1 813340051 OIEFCTVEHLNIFB-KFZJALRRSA-N 408.418 0.301 30 20 HCED Cn1ncc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1N 814697103 YIOORBGVQKGUSP-UHFFFAOYSA-N 409.428 0.377 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 853144556 HLVJZRHPXGYITE-KGLIPLIRSA-N 411.480 0.284 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)o1 915388554 RNCSELBKITVKTR-CQSZACIVSA-N 417.466 0.694 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(C(N)=O)cc3)nc2)CC1 915948340 PUGSBRSIDRVYGV-UHFFFAOYSA-N 402.480 0.563 30 20 HCED CN1CC[C@H](C(=O)[C@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 916996794 AKHWZXDCZNORMR-QWRGUYRKSA-N 402.363 0.882 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN(C)C(=O)c1ccc(Br)o1 917422794 OHXWMPPNGBUMOY-SNVBAGLBSA-N 400.229 0.976 30 20 HCED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 920093246 QQKSPLBAHITLHO-MRXNPFEDSA-N 413.455 0.852 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1318453310 XYWBFBCTVLARHO-ICFOKQHNSA-N 408.436 0.125 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccncc1 1360685287 UYGISQYZKPQHBQ-GUYCJALGSA-N 407.475 0.968 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1463693055 WLXHPMODSZRDCL-HNNXBMFYSA-N 420.532 0.709 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c(=O)nc1O 1464590289 ZCFUQWJCCPUNES-UHFFFAOYSA-N 419.800 0.598 30 20 HCED CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N1CCOCC1 1499155023 XLKCITWQVCYXDB-UHFFFAOYSA-N 424.509 0.683 30 20 HCED 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C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc4snnc4c3)CCO2)C1 1838513356 MLAJGRFTVKOJQB-APPDUMDISA-N 423.520 0.475 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1C(F)F 1838709254 FQBKKMZOZBKSQL-SJCJKPOMSA-N 418.466 0.975 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cscn4)C3)C2)c1 1838734838 MWJRAVAOEFCCNL-SFHVURJKSA-N 401.448 0.727 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839302767 KYVNPTZABCGFQU-YCRPNKLZSA-N 420.437 0.640 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)CCO2 1839353019 FMUUCJLUMXSHNS-SFHVURJKSA-N 406.370 0.718 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1839842035 JTUVODFKCMFTEA-IERDGZPVSA-N 418.494 0.948 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3cnn4C)C2)C1 1840160376 GECXIZXGARBOMZ-VLIAUNLRSA-N 418.519 0.962 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccccc4n3)C2)C1 1840160683 PBIOATCPSDMITJ-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840167135 YUUQLLJCZXBRHP-HXUWFJFHSA-N 420.441 0.656 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCc4nc[nH]c4C2)CCO3)C1 1840359872 RYDOBZUANLXMFP-ZHRRBRCNSA-N 414.506 0.937 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840802837 HRMOVZHLLWYKAB-FQEVSTJZSA-N 411.499 0.934 30 20 HCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194833 UWOLKXBAQGUGEP-CABCVRRESA-N 417.462 0.747 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1847801597 PIAHHFHDTHVWDO-YVSFHVDLSA-N 423.510 0.766 30 20 HCED CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)NCCCc2n[nH]c(N)c2C#N)cc1 48706533 LSKOTZLTYWOHAB-UHFFFAOYSA-N 411.466 0.618 30 20 HCED CCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 52442429 SIVMTKHWOWRAGV-DOTOQJQBSA-N 405.524 0.499 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1c1cnn(CC)c1 410424752 UIZBIKMFZMUBBS-HIFRSBDPSA-N 403.530 0.401 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 438623039 WJFKNOLBAHFOTB-WGBGXHGNSA-N 424.457 0.922 30 20 HCED Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 448233923 IZUANXRVZUXJPZ-INIZCTEOSA-N 423.477 0.868 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 460575120 LSJNJUBNINXYDU-CVEARBPZSA-N 423.477 1.149 30 20 HCED CCC(CC)(CNC(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 467286413 UYBQDKYETXFTQG-STQMWFEESA-N 412.458 0.226 30 20 HCED Cc1c([C@@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cnn1C 468877374 GSGBYUNSVSADQG-UZLBHIALSA-N 407.478 0.863 30 20 HCED Cc1nn(C)c(N2CCN(Cc3nnc4n(C)c(=O)c5ccccc5n34)CC2)c1C#N 472179248 YZOFBVVZQBQRNO-UHFFFAOYSA-N 417.477 0.817 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1cc(C#N)ccc1F 476701891 UFRNMQDOUJPCDB-NSHDSACASA-N 404.423 0.779 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@]2(CCOC2)O1 485054625 NAPDPZMSIHIXGN-LAUBAEHRSA-N 424.461 0.933 30 20 HCED Cc1ccc(C(=O)N2CCC(OCCN(C)C)CC2)cc1S(=O)(=O)NCC#N 498329937 NEEFBXJPHIFGBP-UHFFFAOYSA-N 408.524 0.980 30 20 HCED N#Cc1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)c(OC(F)F)c1 498970771 WEHZXNZABIPSEU-GJZGRUSLSA-N 401.435 0.435 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 509634101 BOAXHGYADGHQAN-CHWSQXEVSA-N 406.555 0.827 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCS2(=O)=O)CC1 515553150 SMBRWZHYKFYCHV-UHFFFAOYSA-N 405.436 0.490 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 531494963 VZDGWUXYEHMGDO-UHFFFAOYSA-N 424.461 0.851 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 533492202 DSSORPRAKZFLHX-UHFFFAOYSA-N 423.495 0.882 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC2(C(N)=O)CCOCC2)c1C 534894277 UADHPAJBWGUYBC-UHFFFAOYSA-N 424.461 0.698 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 537151544 RGTZZFRKKKZQEU-GJZGRUSLSA-N 401.515 0.587 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)C(=O)O 541003055 BAPGVDADHILCNC-LBPRGKRZSA-N 404.466 0.602 30 20 HCED Cn1c(=O)oc2c(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cccc21 544863334 ABGUQONVXHJPKD-UHFFFAOYSA-N 406.402 0.685 30 20 HCED C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549282517 KYUVZLJHOALJFS-MRXNPFEDSA-N 410.478 0.889 30 20 HCED CCNC(=O)c1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 550501597 WOGOKOYAJJUWFJ-UHFFFAOYSA-N 411.466 0.321 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)C2)nc1 553243206 KISGQLOPFZDBLW-OAHLLOKOSA-N 414.443 0.506 30 20 HCED COC(=O)C1(CS(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCCC1 554900600 ZNVRFBBFODBLDG-UHFFFAOYSA-N 409.512 0.785 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)cc1Br 559424697 BHBIFOWOKMRONG-JTQLQIEISA-N 416.253 0.532 30 20 HCED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 575032582 SBBNLJDIDRATEB-CHWSQXEVSA-N 416.463 0.549 30 20 HCED CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 588258944 RUPKXRLRMQXQBH-INIZCTEOSA-N 401.515 0.239 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](CC(N)=O)C2)CC1 588977196 HNNATAPODAUCQF-CQSZACIVSA-N 412.450 0.652 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 603591092 YOSMGFZIEFXLTJ-UHFFFAOYSA-N 422.493 0.684 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)c(F)c1 608828416 XRLAWAWOXHNARF-UHFFFAOYSA-N 410.430 0.691 30 20 HCED N#CCN1CCC(NC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CC1 610916204 IAZZAAOBSHLJTK-MRXNPFEDSA-N 411.462 0.681 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cn1 726976764 OULQVJZPXILYKU-UHFFFAOYSA-N 406.489 0.667 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)CC1 728536017 FAZWSYJHEFFZJO-QGZVFWFLSA-N 412.490 0.332 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 730405080 DFQHYQPVHXIRTN-UHFFFAOYSA-N 416.868 0.909 30 20 HCED N#C[C@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 732910749 TYQULKYJXXBNAX-OAHLLOKOSA-N 408.436 0.753 30 20 HCED CN(CC(=O)NCCNc1ccc(C#N)cn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737792938 VWABNDQMAXCUMK-UHFFFAOYSA-N 418.435 0.710 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2CC(=O)NC)cn1 741449075 JMBLQQIOBDOBEC-CQSZACIVSA-N 423.543 0.039 30 20 HCED C#CCOc1ccc(F)cc1NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 741657109 JZELRYJMZFLKBY-UHFFFAOYSA-N 404.379 0.986 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)cn1C 744914941 SUPWGEXGUXCCMR-UHFFFAOYSA-N 416.419 0.672 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748415295 JONSSHSDUXGHNP-ZDUSSCGKSA-N 400.435 0.687 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC#Cc1ccccc1 749661866 BRIVZZNYFMRIKA-UHFFFAOYSA-N 411.483 0.994 30 20 HCED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O 756459927 NOZSSPCBAHFDNA-IBGZPJMESA-N 422.449 0.772 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2CCN(S(C)(=O)=O)CC2)C1 758321210 PYIKCJWCZIBPKG-OCCSQVGLSA-N 415.516 0.469 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C 760375488 IJZXJPOPTHAXRI-UHFFFAOYSA-N 420.922 0.850 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC2CC(O)C2)c1 764682196 HNMBQPLESLINKS-XLNRJJMWSA-N 422.507 0.715 30 20 HCED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)CN1C(=O)c2ccccc2C1=O 767345612 SZKQLIGMAOHGBB-ZCXUNETKSA-N 411.370 0.311 30 20 HCED C#CCCOC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 771582997 VIFWUWGHDMMFIB-CQSZACIVSA-N 407.897 0.988 30 20 HCED C#C[C@H](NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775793718 NDLBIYHEORYGDW-ZWKOTPCHSA-N 421.519 0.725 30 20 HCED COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2nnn(C)n2)cn1 783042159 WUZKAVJJTORDEF-GFCCVEGCSA-N 416.467 0.414 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCc2noc(C)n2)cc1 783347920 UCSJCDUABRRCTQ-UHFFFAOYSA-N 408.436 0.613 30 20 HCED Cc1nc(Cn2nnc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2C)no1 787518234 BNKLPLFRIUQSJH-STQMWFEESA-N 416.442 0.815 30 20 HCED 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N#CC(C(=O)NC1CC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814249856 BUIGPYJJSBWKKO-UHFFFAOYSA-N 405.430 0.488 30 20 HCED CCOC(=O)c1nc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc1C(C)=O 815491816 YOYTUEMPJSAJKM-GFCCVEGCSA-N 419.463 0.660 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nn1cnn(CC)c1=O 816736254 PARREXVCSQFTJK-ZDUSSCGKSA-N 406.468 0.432 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 917003060 YVELDQAEYUNKSA-AWEZNQCLSA-N 409.464 0.559 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c(OCC(=O)N(C)C)c1 920187662 IKFPFSGTSXSEHY-UHFFFAOYSA-N 424.461 0.896 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nnnn1C1CCOCC1 1096035565 GTIDEZWREAEZFJ-ZBRFXRBCSA-N 402.499 0.837 30 20 HCED C[C@H](CC(=O)NCC(C)(C)N1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1116143265 CVYNSHPQRHRYAD-OAHLLOKOSA-N 421.567 0.646 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)NCc1ccccc1CN1CCCC1=O 1116279956 SNULBHPCXFQUJC-UHFFFAOYSA-N 417.491 0.677 30 20 HCED 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412.446 0.625 30 20 HCED C=CCCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CNC1=O)C2 1792493989 XCFKQZKBTLMIHR-XOIINTDNSA-N 406.483 0.120 30 20 HCED CN1N=C(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)CCC1=O 1793787824 DGHLEZKARVJVHC-HGKCTWBKSA-N 409.446 0.370 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1cnsn1 1794382316 NSRGASQOPUKWMS-WBERVHNSSA-N 409.468 0.270 30 20 HCED Cc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n(C)n1 1794743572 BLGMRCCBFGLOJQ-SCAQPMJSSA-N 402.499 0.214 30 20 HCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1796045417 VIVNAPLOVQRWCR-BTTYYORXSA-N 413.482 0.109 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccncc1F 1796723354 GKKNUSTYSOYTOJ-XOIINTDNSA-N 403.458 0.706 30 20 HCED C=CCC(CC=C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OCC 1797583448 CZIZHRXNNVDFSO-DFGXFYAUSA-N 409.483 0.409 30 20 HCED 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WNHLYWBCEDPLNJ-QLPFJNHISA-N 417.510 0.405 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1=NO[C@H](c3ccccc3)C1)CCO2 1836588637 ZKELPGGJJNUGEN-GHTZIAJQSA-N 412.446 0.874 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1836857779 ZDXYELXBVNPAFX-CRAIPNDOSA-N 423.510 0.086 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCCC4)CCO2)C1 1836981503 YBMMHGYYKOGPQS-KUHUBIRLSA-N 408.524 0.608 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncoc3C)C2)C1 1837398940 LAGQFFLBHWDVLI-QRWLVFNGSA-N 407.467 0.626 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3oncc3C)CCO2)C1 1838397776 CTWPWRKHSFQTQJ-KXBFYZLASA-N 408.455 0.854 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474591 JJSWMVNASWWOAR-FQEVSTJZSA-N 416.434 0.430 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839364128 NNJUGLFYCQWIHI-KKSFZXQISA-N 401.463 0.858 30 20 HCED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420468 KRMUOEYXBJJYIE-VBKZILBWSA-N 404.442 0.362 30 20 HCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)COC1 1839777864 NMHVNCILXWFAHI-FQEVSTJZSA-N 402.451 0.383 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cccnc3)C2)C1 1840159896 PZTQQPCWHJCBGS-YZVOILCLSA-N 408.524 0.657 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1840160013 ULLXHOSPBZDLFR-ZRGWGRIASA-N 409.508 0.636 30 20 HCED CCOC(CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2)OCC 1840165839 LUPBJUZKRYJTGV-KBXCAEBGSA-N 404.529 0.550 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269068 LAELIZKVDGMAMU-NTLWEQJWSA-N 408.495 0.032 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)no1 1840365705 KGDMSUVSDODANB-PKOBYXMFSA-N 411.524 0.936 30 20 HCED CCOCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840521077 RDVDORPNBHLLQQ-QFIPXVFZSA-N 415.490 0.984 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566572 DYKIUXAYWPXXJI-YLJYHZDGSA-N 412.531 0.584 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812359 MVRNTPWHDJYPSB-DYESRHJHSA-N 404.511 0.621 30 20 HCED N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OCc1nc(N)nc(N)n1 16674268 XEZRYLOOYFOMOM-UHFFFAOYSA-N 401.330 0.450 30 20 HCED O=C1Nc2cccc(Br)c2/C1=N/NC(=S)NCCN1CCOCC1 17648914 FGNPHGQLVRGBDN-UHFFFAOYSA-N 412.313 0.902 30 20 HCED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 19428154 FOWQWNBFOQZXCR-UHFFFAOYSA-N 400.403 0.658 30 20 HCED C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cc(C#N)ccn2)CC1 29445134 FDKAIFMVOPURQZ-CQSZACIVSA-N 414.491 0.750 30 20 HCED Cn1c(=O)c2cc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cnc2n(C)c1=O 61380489 KLLXGTNUOTVNCZ-UHFFFAOYSA-N 420.433 0.253 30 20 HCED COc1ccc(C)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 410129408 HVZBLPHFZDHPAW-GOEBONIOSA-N 408.480 0.876 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2cc(OC)cc(OC)c2)C1=O 426954013 AXNUTVMVONFWBB-UHFFFAOYSA-N 418.406 0.078 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 431709839 PHVRAOFHZOHGGW-INIZCTEOSA-N 413.478 0.197 30 20 HCED C=CCOC[C@@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OC 435945789 WCYSIGDREOLSLD-MRVPVSSYSA-N 403.321 0.187 30 20 HCED COC(=O)Cn1cc(CCN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 438685792 BVAXSATYRVQRNI-UHFFFAOYSA-N 411.422 0.935 30 20 HCED COCCN(Cc1cccnc1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 439309105 CVSXHXRJHIFCAE-UHFFFAOYSA-N 419.445 1.207 30 20 HCED CCCc1c(NC(=O)C(=O)NCC(=O)N2CCOCC2)cnn1-c1cccc(C#N)c1 443694582 SVTIMZLDVROICW-UHFFFAOYSA-N 424.461 0.610 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(n3cc(Br)cn3)CC2)n1 444570346 KMSPPUYQCOHKDZ-UHFFFAOYSA-N 420.271 1.558 30 20 HCED Cc1nc(-c2cccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)c2)n[nH]1 446530804 MLYMBEPMDLRNGE-UHFFFAOYSA-N 411.466 0.793 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1=O 462020747 PXXRZOSQMOMMDU-INIZCTEOSA-N 419.449 1.498 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463784868 VJKVRORPHKJOND-UHFFFAOYSA-N 414.510 0.251 30 20 HCED C=CCn1c(C)cc(C(=O)CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1C 467297786 REWOIODJYHVSBY-UHFFFAOYSA-N 400.483 0.436 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)n(C)c1=O 468657457 GCUNHEULWFXYBT-VBKZILBWSA-N 414.466 0.278 30 20 HCED C[C@]1(c2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)NC(=O)NC1=O 480546813 CFDJQMKXIKHZRS-OAQYLSRUSA-N 404.430 0.970 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 481066695 CVPOZBALQFJMFV-UHFFFAOYSA-N 423.520 0.604 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 486015600 JWWDGSBIZKHWSF-CQSZACIVSA-N 402.432 0.590 30 20 HCED CS(=O)(=O)CC1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486484282 FCHUREHMCQLYDW-MRXNPFEDSA-N 404.492 0.783 30 20 HCED N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)n2)cc1 490348983 WCYZRSJZZGKABF-UHFFFAOYSA-N 407.419 0.975 30 20 HCED N#Cc1cccc(CNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 497652560 QTYQOAAQHWNLRV-UHFFFAOYSA-N 407.496 0.399 30 20 HCED Cc1ccc(C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1S(=O)(=O)NCC#N 499639952 ISHGTJSECTZIPR-CHWSQXEVSA-N 401.510 0.691 30 20 HCED CCC[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCN1CCOC 501788459 GWPTURZCPBZZNZ-GOSISDBHSA-N 418.542 0.936 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](CC)c2ccc(F)cc2F)CC1 505493755 FILZQYSCJKSANZ-QGZVFWFLSA-N 408.449 0.979 30 20 HCED Cc1cc(NC(=O)C(=O)NCCCN2C(=O)c3ccccc3C2=O)nn1CCC#N 507838117 OSZLRTOCBIADRQ-UHFFFAOYSA-N 408.418 0.846 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cscn2)CC1 508811597 ICQCRSLGISDCOK-ZDUSSCGKSA-N 411.557 0.853 30 20 HCED C=CCn1c(CCCc2cccs2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508906643 HMSNQOVMRHUJHY-AWEZNQCLSA-N 400.508 0.848 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)n(-c2ccc(C(F)(F)F)cn2)n1 509003835 YSZUQBXKFOOTSH-UHFFFAOYSA-N 409.328 0.289 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 511233585 JYCBUPZEFPFDNU-ZIAGYGMSSA-N 401.510 0.953 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCc3ccccc3S(N)(=O)=O)CC2)nc1 513694681 UAWYJEJZJONHBA-UHFFFAOYSA-N 400.464 0.632 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2C)CC1 517442747 AVARDDVQYRHMOC-UHFFFAOYSA-N 420.441 0.306 30 20 HCED N#CCCN(C(=O)CCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 518725531 DNIAATLALRMHIZ-UHFFFAOYSA-N 424.465 0.071 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)C1=O 525073215 HTWOSZVQWFTGMA-UHFFFAOYSA-N 405.363 0.406 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 530361722 FBFSTHIVNBEJAS-UHFFFAOYSA-N 407.434 0.768 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 530408775 PALWXVGSMMRVKZ-HNNXBMFYSA-N 424.527 0.242 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C)cn2)c1=O 532140512 WWWWVKUSIYBBNF-UHFFFAOYSA-N 414.531 0.925 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)nn1 545173498 DGKCPBLXBUZUHA-AEFFLSMTSA-N 417.514 0.394 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1C 546176632 GLSXSBZEUWCAHE-ZDUSSCGKSA-N 418.479 0.763 30 20 HCED COC(=O)c1cn(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nn1 551356375 STOWSPYKCUJJDZ-UHFFFAOYSA-N 405.436 0.572 30 20 HCED COc1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1S(=O)(=O)NC1CC1 554240208 YVWRMBPBQOMPIQ-UHFFFAOYSA-N 405.440 0.421 30 20 HCED Cn1nc([C@H]2CCCOC2)cc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 556386262 FLNDXYQBWVBFHB-INIZCTEOSA-N 423.477 0.868 30 20 HCED Cc1nc(C)c(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 557958370 LGNBQLXUNOWQEL-UHFFFAOYSA-N 415.523 0.681 30 20 HCED COc1ccc(OC)c(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 559610335 BCTLAMFKPVEIQQ-UHFFFAOYSA-N 400.439 0.588 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)S(N)(=O)=O 564482383 OUYQXPQOWKBQQM-NSHDSACASA-N 403.420 0.477 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@]1(C#N)CCOC1 572558497 DGDCVUOWDDCXRD-IBGZPJMESA-N 422.507 0.434 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 577162956 OPKFRFLSLMYHRP-UHFFFAOYSA-N 410.478 0.616 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)C2=O)cc1 580851706 IRHGNVPEQKINNO-NVXWUHKLSA-N 406.446 0.567 30 20 HCED Cc1cccn2cc(CCNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)nc12 588301813 UBXRVSVLUAHKQA-UHFFFAOYSA-N 417.473 0.917 30 20 HCED CCC[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)S(N)(=O)=O 590421478 HMZZLSYPCFRXIM-INIZCTEOSA-N 422.486 0.971 30 20 HCED N#CCCN(CCC#N)C(=O)Cn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 609479387 JZYJOQDBTMHTDJ-GOSISDBHSA-N 408.466 0.903 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 609686670 RFQKSZMKEGCYJD-HXUWFJFHSA-N 412.538 0.796 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CCN2C1=O 613160997 IRTMBPBRURAMKG-AWEZNQCLSA-N 408.422 0.948 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 679206003 DVJORRYUKQRGAE-UHFFFAOYSA-N 401.511 0.870 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 726557173 UWVDBKIHFSELIH-CYBMUJFWSA-N 408.480 0.852 30 20 HCED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732467438 XDFWLSVWFPREHJ-GPASRXLFSA-N 418.542 0.713 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)nc3)C2=O)cc1 734602787 YUXYITFGCOUWAS-HXUWFJFHSA-N 423.385 0.617 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)c3cn(C)c(=O)n(C)c3=O)c(C#N)c2N)cc1 735035704 XDMDGOORUDGWAE-UHFFFAOYSA-N 421.461 0.395 30 20 HCED CNC(=O)c1cccc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 740841934 DVLFYDHROLPQGW-UHFFFAOYSA-N 414.487 0.834 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745433068 HRYBFOUSVBNWOA-AWEZNQCLSA-N 423.491 0.713 30 20 HCED C=CCn1nnnc1SCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O 747808963 JTFNGWJHIQIYJB-KRWDZBQOSA-N 417.451 0.458 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 747991607 KNUSUVPMWYKUDK-UHFFFAOYSA-N 410.474 0.849 30 20 HCED C#C[C@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 754366269 HMBLJSAXAOOFNF-MRXNPFEDSA-N 421.519 0.686 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc3c(c2)CC(=O)N3C)C1=O 754935421 YRVCSFLZJGOZMZ-LLVKDONJSA-N 413.386 0.297 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cccc(C(N)=O)c2)CC1 755730310 IJJKUZGKBLYOCV-UHFFFAOYSA-N 402.480 0.563 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 756908988 JQWKTVSOCDTIHM-KBXCAEBGSA-N 401.492 0.996 30 20 HCED CNC(=O)CNC(=S)NN=C1CCOC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 762421138 GXEQGUAJRASYCQ-OCCSQVGLSA-N 413.544 0.989 30 20 HCED CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764761206 LBFDGKKTKNNEBR-DOMZBBRYSA-N 411.505 0.732 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNC(=O)c1cccnc1 766369429 NVIQJBPXDJLUGF-ZDUSSCGKSA-N 402.432 0.593 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(N)c(Cl)n3)CC2)o1 772076385 RVSLMNNMJXWDES-UHFFFAOYSA-N 404.814 0.991 30 20 HCED CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1cnn(CC)c1 774286783 CBJVQBHJXSXQRB-AWEZNQCLSA-N 406.512 0.982 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C 774528382 BZDQVWVNQQTXHF-UHFFFAOYSA-N 408.483 0.161 30 20 HCED C#C[C@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775327599 KDBUSXMEFANLPS-IRXDYDNUSA-N 422.503 0.556 30 20 HCED C[C@H](CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)S(N)(=O)=O 781969763 KWLWCEAOOKUUGD-LLVKDONJSA-N 406.489 0.696 30 20 HCED CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782407603 JJAOEBBGFQOLHP-UHFFFAOYSA-N 401.404 0.962 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)c(C)c2)CC1 783319033 MFZQABBOKNCMSE-UHFFFAOYSA-N 412.490 0.758 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 783461997 GLVMTYYSBLSPCR-UHFFFAOYSA-N 411.439 0.691 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC)c2cccnc12)[C@@H]1CCS(=O)(=O)C1 783479587 LAVRQPMORJLDFP-CYBMUJFWSA-N 401.444 0.831 30 20 HCED C#C[C@@H](NC(=O)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CCCO1 787094254 UWRLYUINEYGLNP-QZTJIDSGSA-N 401.438 0.844 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCc2cnccn2)CC1 793486315 BKFDLLKOXXARFN-UHFFFAOYSA-N 421.417 0.604 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 796966708 JPIWLQCJKMXCGE-CQSZACIVSA-N 415.516 0.134 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 799285586 IPSCQNLGYBXATK-GOSISDBHSA-N 402.495 0.142 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H](C#N)C(C)C)ccc2F)CC1 800931606 WKIBPEVOOJJYSN-MRXNPFEDSA-N 410.471 0.956 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 805280548 DVKJDIBUXUHBCI-HNNXBMFYSA-N 406.508 0.880 30 20 HCED COC(=O)c1c[nH]nc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 912551335 ZJELJSQYRNGVFZ-AWEZNQCLSA-N 403.420 0.147 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913375503 UGTSGEXZAYPQRY-JEOXALJRSA-N 401.423 0.232 30 20 HCED CCNC(=O)COc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 915777324 GFOCEVMVRBOCKT-UHFFFAOYSA-N 410.434 0.635 30 20 HCED COCCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916693377 MAOUIBMQTQRTOS-RCCKNPSSSA-N 411.484 0.384 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN(C)S(C)(=O)=O)c1 917687319 DSIKKCSYHUJNRH-VKAVYKQESA-N 402.498 0.329 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CNC1=O 996879645 SGDSDMHYBUVZOM-ZVZLPEGASA-N 404.467 0.158 30 20 HCED Cc1nc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)ccc1C#N 1051480881 WBQQNNDORFKSMB-FGIYMWPYSA-N 405.462 0.823 30 20 HCED O=C(NCCNC(=O)c1c(F)cccc1F)NCCN/C(O)=C1/N=CC=CC1=O 1116049270 NZYGCVGPYOGFGN-ICFOKQHNSA-N 407.377 0.520 30 20 HCED CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1197330464 XUJYABWOUYJPKP-SNVBAGLBSA-N 408.299 0.633 30 20 HCED C#CCNC(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)[C@@H]1COC[C@@H]12 1205502564 CVJICWRVMCPJEI-BHQCHZOVSA-N 413.518 0.099 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1299322939 UNVOMRHUCMDCHN-AWEZNQCLSA-N 420.495 0.503 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1316540653 XTTMQNFPTWEGAV-GDBMZVCRSA-N 402.480 0.894 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1318442623 VQDQUUFBRYSNBW-NWDGAFQWSA-N 411.461 0.137 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1326207722 VXAKCDLGUQFKRB-WMZOPIPTSA-N 416.503 0.242 30 20 HCED COCCN(C(=O)C1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1343488482 DLIBQBLCCUYFHA-OAHLLOKOSA-N 410.496 0.733 30 20 HCED CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1503825735 IPTMJLRTXNDTQU-UHFFFAOYSA-N 413.482 0.961 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NCc2ccccc2)CCO1 1521129776 OEMZQESEIKWLSH-IAGOWNOFSA-N 423.477 0.664 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCC[C@H]1C 1611687350 WHTQZWCUTFWRMK-OSRSDYAFSA-N 414.507 0.881 30 20 HCED CCN(CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1615624314 QDLJZTUGFWNMLX-HNNXBMFYSA-N 422.515 0.079 30 20 HCED C[C@H]1COCCN1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1637999950 USPGXPXTBSFHOD-JKSUJKDBSA-N 420.535 0.937 30 20 HCED Cn1cc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(O)nc1=O 1664773125 XBUGDGSVJQKQQP-UHFFFAOYSA-N 403.464 0.300 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C(N)=O)CCOCC1 1706422489 ZQIHLAKWBLADMT-QGZVFWFLSA-N 415.542 0.935 30 20 HCED CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1729717147 WFDHCMQTRVATBA-UHFFFAOYSA-N 411.466 0.248 30 20 HCED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 1742661909 KBNHXQOOJCECGV-BLLLJJGKSA-N 410.479 0.421 30 20 HCED COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1749273511 KGYWBOQWQSFJID-QWHCGFSZSA-N 400.505 0.290 30 20 HCED Cc1ncoc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101035 IWXHYRBRBDIAQH-GQMJWJPTSA-N 406.439 0.956 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1779106784 UXTRFCVCFOENKJ-JVLSYQRKSA-N 422.526 0.687 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)/C=C\C(=O)NC3CC3)C2)CC1 1779227829 VZYIOLRZUQEAHS-QXTNZQRQSA-N 400.479 0.639 30 20 HCED C[Si](C)(C)C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(O)O)C2 1779352727 SZZFNTZEOZXTQA-OXQOHEQNSA-N 410.587 0.862 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)Cn2cncn2)C1 1779495005 HGMGRBRTLJVDSL-NEYJZJCJSA-N 417.510 0.466 30 20 HCED COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)nn1 1779896117 RDWRYEOUJPBVTM-FQEVSTJZSA-N 416.482 0.211 30 20 HCED Cc1c(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cn2[nH]cnc(=O)c12 1780021756 HUYOTOQDYAEQDG-NRFANRHFSA-N 424.461 0.468 30 20 HCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(C#N)cc2)C1)n1cnnn1 1780413014 QHESXYPYGFFTGT-FQELHTAISA-N 423.477 0.933 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1781037617 PHDSDRMEKRCRCN-UWJYYQICSA-N 407.511 0.810 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2 1781270549 ODLARQNUDCBBKT-QRWLVFNGSA-N 424.498 0.033 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1781866855 NOPSOEMIVXIGMF-ZNKUCZMGSA-N 407.492 0.905 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(F)c1[N+](=O)[O-])CCO2 1783562879 JRUQOBATCKMYHL-GOSISDBHSA-N 405.338 0.265 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982630 MYDWTKQRSGHXRY-SJCJKPOMSA-N 421.416 0.068 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CN(CC)CC)C[C@@H]21 1784482476 CROBMUURTAOKNY-WPVAHCMFSA-N 407.555 0.982 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(=O)n3O)C[C@@H]21 1784531231 GMWONOPSIIOFAN-HPZZRFSDSA-N 409.508 0.633 30 20 HCED COc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]3C2)n(C)n1 1784531236 GSPHYJWERVMQIL-HPZZRFSDSA-N 410.540 0.976 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4c(c3)CCC4)[C@H]2C1 1785047657 QTKYPBXWDLLYME-UFYCRDLUSA-N 410.470 0.786 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)c3ccco3)[C@H]2C1 1785137103 XYWRVKAVCZVNEN-GLUQJIRCSA-N 415.446 0.300 30 20 HCED 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C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)N1CCN(C)CC1 1799186832 PTKVWVBIFIPXQX-CRSSMBPESA-N 418.582 0.980 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1cccnc1)C2 1799390327 LDRLMWFGSACXMX-GGXPGOJBSA-N 404.467 0.851 30 20 HCED COc1ccc(/C=C/C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(F)c1 1800834298 HEHSMKGSFLWWEJ-PWRVDJJQSA-N 416.405 0.525 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCC#N)[C@H]1c1cccnc1 1803507961 HHNKBATZTFYEQY-HFTRVMKXSA-N 421.523 0.719 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)/C=C\C(=O)NC2CC2)[C@H]1c1cccnc1 1803548927 PYTATYHGGKUNBX-JDTNKDIWSA-N 424.501 0.961 30 20 HCED C=CCOCCCC(=O)NC[C@H]1CCN(C(=O)C2=NNC(=O)C2)[C@@H]1c1cccnc1 1803560619 ORMUZMGCXBIEJR-OXQOHEQNSA-N 413.478 0.946 30 20 HCED Cc1cc(C)n(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1804580564 LBESWPDASQPWPM-UTKZUKDTSA-N 409.446 0.689 30 20 HCED O=C(Cn1cnnn1)NC[C@H]1CCN(C(=O)C#Cc2ccccc2)[C@@H]1c1cccnc1 1807608999 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GAQFEALPFUXCAH-HXUWFJFHSA-N 402.451 0.772 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834753339 GCFWRJLWJAMTIF-IFXJQAMLSA-N 410.471 0.270 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835359775 HVQQADMHWBDYMI-OAQYLSRUSA-N 412.446 0.941 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(NC)cc3)CCO2)C1 1835602474 HGQVCKQPXSQZRK-VGOFRKELSA-N 415.490 0.837 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1835643698 IPNHLLQRYJSEMK-PBHICJAKSA-N 418.585 0.414 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)CCC1)CCO2 1836731492 XCVHFEUAGPIKNK-DYRFGFBLSA-N 419.522 0.882 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1837390918 GGFDGVGTIJIJPS-AVRDEDQJSA-N 423.554 0.358 30 20 HCED CN[C@@H](CC(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1)C(=O)O 1837888399 UYRMJIYJUPLNBZ-KRWDZBQOSA-N 420.510 0.742 30 20 HCED COCCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838950080 MNYARPRIZIKTER-NRFANRHFSA-N 417.462 0.291 30 20 HCED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)COC1 1839361156 ULFLAYJNNSTGSS-JOCHJYFZSA-N 413.474 0.859 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)C4CC4)C3)C2)c1 1839419372 XFZINLVCIOFGFG-OAQYLSRUSA-N 415.421 0.746 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839420295 AGOSIEYALGRRRW-GHTZIAJQSA-N 418.469 0.765 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c1 1839451682 ITGLITGVCCTBMG-OAQYLSRUSA-N 414.462 0.025 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)cccc3F)C2)C1 1840043427 XSIMNKLVLDQJJB-LJQANCHMSA-N 408.357 0.123 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1840043940 DHHDJCMSRNBYKR-AVRDEDQJSA-N 412.442 0.261 30 20 HCED Cc1ccc(CCC(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044669 QNLFEGBIRQCEGD-QFIPXVFZSA-N 414.458 0.472 30 20 HCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840141115 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KZULLYLAOKLKDN-UHFFFAOYSA-N 412.425 0.469 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCC)NC(=O)Cc2ccccc2)CC1 303579452 MJJHMZBQRFECPX-FQEVSTJZSA-N 412.534 0.798 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)COc2ccccc2Br)CCO1 409512229 SIYIMQKIBIMUTG-NWDGAFQWSA-N 420.285 0.248 30 20 HCED COCCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCOC1 427912994 NBXBJXSFILATNJ-CQSZACIVSA-N 401.398 1.085 30 20 HCED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 437395687 VNVHTBYHTSCJIR-INIZCTEOSA-N 415.494 0.916 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 439209361 CZHMPLJBPYFAJC-HOCLYGCPSA-N 410.409 1.091 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 439542467 BJPQPQULMPGIRM-HNNXBMFYSA-N 421.523 0.760 30 20 HCED CS(=O)(=O)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446632625 UTDYTYPCQVCYOZ-UHFFFAOYSA-N 407.496 0.930 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1cccc(C(N)=O)c1 460592429 NIFVVGRDRJCMIJ-UHFFFAOYSA-N 417.429 0.844 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 464017629 JSLQNWZWHFSWGJ-CYBMUJFWSA-N 412.425 1.509 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C#N)c1ccccc1Cl 469487985 NPRKCRVCMCMHDQ-AWEZNQCLSA-N 400.888 0.855 30 20 HCED C[C@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCO1 470087032 OYUSYEDXCIJWQO-JKSUJKDBSA-N 408.524 0.842 30 20 HCED COc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc(OC)c1 472888778 ABTAZQPROSMPGV-UHFFFAOYSA-N 412.450 0.905 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cn1C 474653780 GVOSGYGQQDKQSV-IBGZPJMESA-N 401.492 0.964 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)ccc1F 481249066 DRNSCLLGXDEIFY-CYBMUJFWSA-N 401.350 0.921 30 20 HCED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 490078353 VFMRQENCBYSHJR-GFCCVEGCSA-N 422.326 0.975 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491485808 NHUJOIWTDQRDSH-LBPRGKRZSA-N 403.870 0.961 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)NCc1ccco1 492561616 QGLWRRVNRCULAL-CYBMUJFWSA-N 421.417 0.551 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@H]1n1cccn1 494010753 LFBRTLBUWRJXCZ-QGPMSJSTSA-N 420.433 0.809 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)Cc1nc(N)nc(N(C)C)n1 507461295 SUYGBTKAHCEZEE-UHFFFAOYSA-N 401.456 0.333 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCCN(c3ccccc3C#N)CC2)cn1C 510803630 PBOVHTKBVCMDOE-UHFFFAOYSA-N 416.507 0.617 30 20 HCED COc1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c(OC)cc1Br 511409566 DENVFBXNUYXSKS-UHFFFAOYSA-N 416.257 0.908 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)n2)cc1 511902376 FCIZQELZQXHJAH-QGZVFWFLSA-N 416.445 0.927 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C 514332565 XXXGLBIUMFRMRB-UHFFFAOYSA-N 405.863 0.857 30 20 HCED CN(CC(=O)N1CC[C@H](C(=O)N2CCCC2)C1)S(=O)(=O)c1ccc(C#N)cc1 521089116 XHSGKASDPYHBMW-INIZCTEOSA-N 404.492 0.650 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CCO1 523075819 YGZSESVTWMHIBT-AWEZNQCLSA-N 406.464 0.551 30 20 HCED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 527030691 MQUDURRPYPQDNT-CYBMUJFWSA-N 415.446 0.033 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 539410319 XXNDRIKDPKEHTA-LBPRGKRZSA-N 417.465 0.075 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CCOC)CC1 541368019 QAALLLRHKPZLBI-UHFFFAOYSA-N 404.467 0.749 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)CCC=C)[C@H](c2cnn(C)c2)C1 543176499 FHXVZJUYEHTUTO-INIZCTEOSA-N 402.542 0.891 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)CC2)n1 546196410 FVCUKXCDIZJKJN-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)C1=O 550614548 JCPGJUGGUACEBG-DLBZAZTESA-N 418.494 0.323 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]3C(=O)N3CCN(C)CC3)CC2)o1 555255170 DWJIJEBLGANCRU-SFHVURJKSA-N 414.510 0.836 30 20 HCED CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3c(C)cnn3C)c2=O)cc1 556782161 YRAMBFGHQYAYJK-UHFFFAOYSA-N 407.499 0.752 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 559985759 FNVKMUZFFFZLKO-ZDUSSCGKSA-N 412.406 0.482 30 20 HCED COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)OC 565496376 PFNWYBPLBMLWSD-MRXNPFEDSA-N 416.434 0.512 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cnccc2C#N)CC1 572908413 FAFCRSJLSATPOQ-HNNXBMFYSA-N 424.486 0.841 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1F 589157356 VRELLKGLYCPUCJ-UHFFFAOYSA-N 403.435 0.271 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592994038 WKROAAJMDKLQFH-UHFFFAOYSA-N 424.461 0.431 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@]1(C#N)CCSC1 603885779 HCFNBYLLLSCXIY-QGZVFWFLSA-N 411.505 0.845 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C 609219843 CSCFHLTUABETLP-UHFFFAOYSA-N 403.479 0.940 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 610102822 VOIHIYAAYHBVFD-UHFFFAOYSA-N 400.416 0.941 30 20 HCED COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccn1 610810134 YWDBFEMEQHCZAH-LRDDRELGSA-N 402.432 0.651 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN(CCC#N)CC1 611174646 JPWJGYUQPLIDLM-HNNXBMFYSA-N 423.539 0.804 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)cc1 615257849 CQPXAOXMPYGUPV-UHFFFAOYSA-N 401.448 0.871 30 20 HCED CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 619707769 ITCUUTVVMWJJGO-QGZVFWFLSA-N 415.560 0.016 30 20 HCED C=CCn1c(COC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 669808110 BTXJZOQJQHROSY-UHFFFAOYSA-N 400.487 0.564 30 20 HCED CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cccc4c3OCCO4)c2=O)cn1 726180507 MWYVRZMSVUWAPT-UHFFFAOYSA-N 405.439 0.913 30 20 HCED Cc1cc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnc1C 730441053 FYCYDBHWAJNCDY-UHFFFAOYSA-N 415.475 0.877 30 20 HCED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCC#N 731233035 FLUMXWOKGFUTCN-YVEFUNNKSA-N 405.432 0.050 30 20 HCED N#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 731239503 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0.669 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755544884 GPMKJIGQYSGUDJ-OLZOCXBDSA-N 403.439 0.508 30 20 HCED Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)NCCNc2ncccc2C#N)n1 760214219 ZCHSWGFUUOHMHT-UHFFFAOYSA-N 405.422 0.713 30 20 HCED NC(=NOCC(=O)N1CCC2(CC1)OCCO2)c1ccc(CN2CCOCC2)cc1 761310660 UAFYARNKVKLBPF-UHFFFAOYSA-N 418.494 0.521 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCCO1 773798447 UDYYKLYVPVYPHC-GJZGRUSLSA-N 423.491 0.571 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 780205995 OVWXELVTQIEPNC-QGZVFWFLSA-N 413.415 0.714 30 20 HCED CN1C(=O)N(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)C(=O)C12CCCCC2 782096440 FMLVSFOAAZSGFP-UHFFFAOYSA-N 412.406 0.947 30 20 HCED C#CCN1CCC(C(=O)NCC(CNC(=O)C2CCN(CC#C)CC2)OCC)CC1 782777650 KXNZBYBUVMWKBJ-UHFFFAOYSA-N 416.566 0.314 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCn2cc(C(=O)OC)nn2)C1=O 790026455 JJFWFINHGQVFFW-LBPRGKRZSA-N 422.492 0.894 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1-c1ccsc1 790439974 ZNZORAQDPDCANO-UHFFFAOYSA-N 415.500 0.052 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCC1 799287944 VLNMXISQLOLPRE-CQSZACIVSA-N 417.462 0.769 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 799997233 CEYVLHSVXGOJJQ-HNNXBMFYSA-N 409.512 0.730 30 20 HCED N#Cc1cc(F)cc(C2(C(=O)OCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 803922687 CWEVRFLBPZWJNV-CQSZACIVSA-N 423.422 0.285 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)C2)c(F)c1 805588311 QWIZGOTUBFGQMH-YOEHRIQHSA-N 402.426 0.933 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(-n3nccn3)cc2C(F)(F)F)n1 807367709 ZDDRSYXSOFUSSO-UHFFFAOYSA-N 419.327 0.504 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cnc(Br)c(Br)c1 807403361 ZICUKNLAQFVEMT-UHFFFAOYSA-N 419.033 0.301 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 808311981 GXSSPKGWZHKKNN-UHFFFAOYSA-N 414.505 0.830 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 816129563 CIHGNECLGMUREO-BETUJISGSA-N 420.403 0.447 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)CC1 816753358 GVNGGJOYBQFDLV-CYBMUJFWSA-N 400.457 0.189 30 20 HCED CNC(=O)CN(Cc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1174811307 PWJSWNUWSLUHNH-UHFFFAOYSA-N 414.487 0.890 30 20 HCED CS(=O)(=O)N1CC[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1230535751 PZAVBHJRDXIQPO-GOSISDBHSA-N 405.524 0.856 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1286970970 YQRRJPYIQKKVJA-KBPBESRZSA-N 412.516 0.243 30 20 HCED Cc1nn(CCO)c(C)c1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1341523124 DPJFSQVRJWOSRB-UHFFFAOYSA-N 403.508 0.870 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(Cc2cn[nH]c2)CC1 1469183341 WCCFTKNZXRNBBV-UHFFFAOYSA-N 402.480 0.183 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)CC1 1510294955 IZSWCSWJDZSWER-CQSZACIVSA-N 415.498 0.641 30 20 HCED 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CO[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1748491963 QUGQKPVBYHOLRZ-IFXJQAMLSA-N 413.438 0.460 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](CC)NC(N)=O)C1 1777980949 KTQVIUAXFCBODH-CSODHUTKSA-N 424.542 0.930 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnc(O)nc3O)C2)CCC1 1778009042 LDNDKVFYVFUOJB-JLTOFOAXSA-N 415.450 0.709 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc5c(c4)NC(=O)CO5)C3)C2)CC1 1778572405 MBRYGXOIRHHHFO-NRFANRHFSA-N 410.430 0.765 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1778790985 CEYRCZBINRMHDK-OIDOJQHXSA-N 421.494 0.262 30 20 HCED Cc1nc(CC(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)no1 1779016417 UHXBNXKQMSVHBQ-GUBFPNNNSA-N 404.471 0.222 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060721 IXIDFSHEJGOWKB-KPLVRAHFSA-N 406.523 0.922 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779524716 ARHRRNXUJWJIKS-YWZLYKJASA-N 418.450 0.191 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(S(C)(=O)=O)ccc2F)C1 1781188749 ZFCBYKMSFDIWDK-YLJYHZDGSA-N 422.478 0.990 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1781784111 QWLPKBNGNRWDAH-PGRDOPGGSA-N 410.474 0.722 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782042126 HVVFTGHTSXDTIX-RMUOZIPVSA-N 415.446 0.400 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)S)C1 1782182468 QXVJOYGIBGLDGZ-UYAYXHRUSA-N 400.545 0.526 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nccn(Cc3ccc(F)cc3)c1=O)CCO2 1783047775 HOMNNXUWBCBTNO-JOCHJYFZSA-N 424.432 0.507 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C(=O)c1ccc(Cl)cc1)CCO2 1783557714 KGPKOTCPAUEATL-LJQANCHMSA-N 404.806 0.441 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)O)CCO2)C1 1783771628 UQYZGOBRROHZRY-SXGZJXTBSA-N 411.499 0.667 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(C)n(C)n3)[C@H]2C1 1784237981 VRIMBOHZFHQECG-NEPXVJNWSA-N 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CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@H](C)CC#N)c2)CC1 438877728 QEKRWKJRSAHXJL-CQSZACIVSA-N 407.496 0.370 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 439481257 YOVXSKUWUGCTQM-SFHVURJKSA-N 420.535 0.892 30 20 HCED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 441850018 SDRZCTMLRANBPM-OAHLLOKOSA-N 412.425 1.291 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1 443023669 HKKQANSLELWDRY-UHFFFAOYSA-N 410.433 0.723 30 20 HCED COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cn(C)cn2)cc(OC)c1OC 446971532 MNTJFDMIIFMHGG-GFCCVEGCSA-N 423.451 0.105 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)Cc2noc(C)c2C#N)ccc1OC 447605880 BHZMFSCUSYHBCN-UHFFFAOYSA-N 408.436 0.969 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(CC3CCOCC3)CC2)cn1 460583166 FAFWSYVQVWRAQS-UHFFFAOYSA-N 423.477 0.648 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 465071439 HGYISQOQXRLIIF-BBRMVZONSA-N 402.480 0.774 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)Cc1ncnn1CC(F)F 470577434 WSFKOFWEDZSYBB-NSHDSACASA-N 412.422 0.740 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 474253793 NYVFGSSMGCRDOC-PMACEKPBSA-N 423.517 0.814 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3ncccc3c2)c1=O 489197516 RXISXGMOXPZKKQ-UHFFFAOYSA-N 406.467 0.357 30 20 HCED N#Cc1ccc(N2CCC[C@H](N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)C2=O)cc1 489982855 YXVQHUMPVIWDCI-IPMKNSEASA-N 418.519 0.141 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1 490341581 ICCWGVKIHXJALM-CYBMUJFWSA-N 424.523 0.851 30 20 HCED CC(CC(=O)N1CC(O)(CC#N)C1)(CC(=O)N1CC(O)(CC#N)C1)c1ccccc1 506382573 SHMBXFGZDSRRDD-UHFFFAOYSA-N 410.474 0.698 30 20 HCED CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1ccnn1C 506868811 UUIMPJHFIGDWHV-SQGPQFPESA-N 420.473 0.728 30 20 HCED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1nnc(N2CCOCC2)n1-c1ccccc1C 506962565 PGTSMGQVAYDMMV-OAHLLOKOSA-N 419.507 0.877 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC[C@@H]1[C@H]1CCCO1 507342767 YRUQCAVTQCKBCU-SJLPKXTDSA-N 403.435 0.928 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)CC1 508569561 OHAFEYWQLRUECS-UHFFFAOYSA-N 407.540 0.625 30 20 HCED C=CCN(C(=O)CCC(=O)NCC(=O)c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 509778952 WJLBCMSJYMFIGI-INIZCTEOSA-N 422.503 0.976 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1=O 514521194 LRYKMBWWAZEGSN-CYBMUJFWSA-N 421.335 0.725 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCCN1CCC(C(N)=O)CC1 517849420 PCDLRJHQHMWUPI-UHFFFAOYSA-N 415.494 0.989 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccsc2)c1=O 523088948 WUHCKLSACUFHOJ-ZDUSSCGKSA-N 421.544 0.662 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCCN3C(=O)CNC3=O)CC2)c1 524614712 VVAIVMARWGOYJZ-UHFFFAOYSA-N 412.450 0.860 30 20 HCED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 525011040 WVIFFICGAPSERP-UHFFFAOYSA-N 410.887 0.887 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)nc2)c1 539688632 IWIOJJHQNJQFKL-UHFFFAOYSA-N 411.418 0.699 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCC(=O)NCc2ccccn2)cc1 543420063 YPILMWQGBWDRTI-UHFFFAOYSA-N 400.460 0.691 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 556088602 LKCDLOUFJBDRKA-GOSISDBHSA-N 420.473 0.553 30 20 HCED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O 561238374 QAWAKTBUTKQCTD-UHFFFAOYSA-N 413.482 0.816 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCc1cccc(C#N)c1 562835396 ZGENHBVQEWECOA-ZDUSSCGKSA-N 400.460 0.683 30 20 HCED CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 583892051 UMAWNTFQRLUJDE-SFHVURJKSA-N 420.473 0.595 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1cccc(C#N)c1 585758693 MNZKPBWAAGTXKP-CYBMUJFWSA-N 407.430 0.931 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1 604530915 NDOVDDFCDCSGJW-INIZCTEOSA-N 407.517 0.997 30 20 HCED N#CCN1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609576168 ADZYTEGVJKOHKI-QGZVFWFLSA-N 421.479 0.852 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2=O)cn1 609789196 ZZHMMTLDIQUSSY-MRXNPFEDSA-N 416.463 0.147 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610841022 WIOUKWNEWGHJRJ-CZUORRHYSA-N 411.480 0.650 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCCO2 619538571 LUXJKAWLPFOANH-UHFFFAOYSA-N 420.450 0.314 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C)cc2OCCOC)C1=O 673387148 ZYJAFTUOYOIOEH-KRWDZBQOSA-N 403.479 0.882 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1 684781324 IPFUUQLEKLVBDT-LNMJFAINSA-N 424.519 0.917 30 20 HCED N#Cc1ccc(CN2C(=O)CN(CN(C3CC3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 726585300 OTYBDKVVKYGODX-QGZVFWFLSA-N 402.476 0.931 30 20 HCED COc1ncnc(OC)c1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 729867872 OTEUUAAGSARUGY-UHFFFAOYSA-N 416.394 0.168 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1F 730083804 WMHUGKNFKDPFTG-IAGOWNOFSA-N 411.499 0.961 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCS(=O)(=O)CC2)c1 731536566 HUQKVFZWUOYCQD-SDXDJHTJSA-N 414.509 0.762 30 20 HCED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734574092 NUZSRVTUUJLAMZ-SJCJKPOMSA-N 417.443 0.601 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O 740830371 XNYOMQZDINCGJL-STQMWFEESA-N 408.455 0.725 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 741646221 OWNZSZBTGOXVSA-ZDUSSCGKSA-N 407.423 0.942 30 20 HCED C[C@H](CCN(C)C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 744908263 SGJNLMSPFBMWMQ-PFKVCDDJSA-N 423.539 0.894 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 748226182 LHEVPHUHAVEZGC-SFHVURJKSA-N 424.413 0.554 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)s2)c1=O 748790323 CRJRWSQAGNQSPQ-UHFFFAOYSA-N 402.501 0.517 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 749660708 FNTLFWSSZSNTJT-UHFFFAOYSA-N 417.437 0.874 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CO)C2)cc1 749694520 SRKLHFQAKNNXMG-BPHPCYGNSA-N 408.480 0.279 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 750960965 JVMRXAXISKYPIZ-UHFFFAOYSA-N 418.450 0.496 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753360581 UXAWBSBAWRDGBG-UHFFFAOYSA-N 414.487 0.560 30 20 HCED CN1C(=C2C(=N)N(C[C@@H]3CCN(S(C)(=O)=O)C3)CC2=O)N(C)c2ccccc21 753645739 QADCZBFVQJZPEL-ZDUSSCGKSA-N 403.508 0.928 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)CC1 754308212 OFALKUMYXPJVEB-UHFFFAOYSA-N 422.551 0.961 30 20 HCED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755550476 KDMZUZNTXKJYSK-JSGCOSHPSA-N 403.439 0.508 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(F)c(F)cc2F)c1=O 758083360 LNMFIMFSPZBWJU-UHFFFAOYSA-N 405.401 0.990 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)CC2(CO)CC2)CC1 759962080 OVCKOUQNYBJJMT-UHFFFAOYSA-N 421.475 0.097 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761172570 OBZZTMDVIOIWTR-WCQYABFASA-N 412.443 0.501 30 20 HCED COCC#CCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 762756715 VQELFMPNZNUBAC-UHFFFAOYSA-N 408.476 0.493 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCC)n(Cc3ccon3)c2=O)cn1 772309797 ANAIGHWAYSVOCK-UHFFFAOYSA-N 424.486 0.662 30 20 HCED O=C(C#Cc1ccccc1)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 773464924 KYQZFHHSDHMAHO-ROUUACIJSA-N 405.472 0.776 30 20 HCED N#Cc1cc(O)cc(C(=O)OCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1 776278620 BRXNOBHQYYYRPC-UHFFFAOYSA-N 401.400 0.657 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 781457611 UZWVMUUGGRVEEJ-CJNGLKHVSA-N 409.464 0.030 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 783480109 IILIZYBAPMPUQH-MRXNPFEDSA-N 400.460 0.768 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 787787047 GQUNNEITDSHGQW-HNNXBMFYSA-N 400.483 0.098 30 20 HCED CNC(=O)CNC(=S)NN=C(c1ccc(Cl)c(S(N)(=O)=O)c1)C1CC1 794510913 ZIZQTRKBQYNMMO-UHFFFAOYSA-N 403.917 0.312 30 20 HCED C[C@H](C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)cc1)n1cnc(C#N)n1 798748175 SFARABRFJCRASW-GFCCVEGCSA-N 405.436 0.229 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCCO1 805029101 NPFPLNUEPOYKKQ-WOJBJXKFSA-N 411.502 0.881 30 20 HCED COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 805501934 UTOJGLVVXGLVBO-VXGBXAGGSA-N 410.448 0.925 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cn2)ccc1F 806989760 PNWMOMQAPBCKRG-UHFFFAOYSA-N 405.411 0.598 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 807110426 UBARMILCGAIQSO-MQGAHJBISA-N 420.470 0.565 30 20 HCED Cn1c(S)nnc1[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810355237 WGYBKGLGVPXMDX-CYBMUJFWSA-N 420.520 0.660 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 810773151 UCSSWSNZQVDKFX-ZIAGYGMSSA-N 414.505 0.567 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c1 810940066 YGGHKZVSKQTYHL-AEFFLSMTSA-N 403.460 0.437 30 20 HCED C[C@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)n1cccn1 816038804 HNIAMKYHVJQLSP-CZUORRHYSA-N 412.406 0.836 30 20 HCED C[C@H]1CN(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 818111319 MHDKQOKJFYKEOT-GASCZTMLSA-N 408.524 0.731 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nnc(S)n1C 818206167 MMVISFIHMNKSOO-NSHDSACASA-N 408.509 0.391 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)Cc2cnn(C)c2)c1 918956281 BYEUMZIPAVJYLJ-UHFFFAOYSA-N 406.464 0.700 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 918968095 SFYWRYDHXMADRD-UHFFFAOYSA-N 410.452 0.229 30 20 HCED Cc1nn(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)c(=O)c(C#N)c1C 1115818278 QIWBTZWFNHLFPD-SNVBAGLBSA-N 401.448 0.357 30 20 HCED CCn1nncc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1231405478 WNWMFMLWZQABOC-UHFFFAOYSA-N 403.468 0.386 30 20 HCED COc1ccc(CCN2C[C@H](C(=O)N3CC[C@@](O)(CC#N)C3)CC2=O)cc1OC 1299889744 KEGCADJJRKHLEE-IERDGZPVSA-N 401.463 0.972 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C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)C1=O 440275505 SYDKYTGBJZYZBX-CQSZACIVSA-N 408.480 0.080 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 441512402 MMQKTTNIJVPFOT-IAGOWNOFSA-N 407.478 1.329 30 20 HCED C[C@@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)CN1CCOCC1 443248731 LQVJHEBTYMHPOO-OAHLLOKOSA-N 407.414 0.939 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCCC2)C1 443865867 GIYFCFMKKRNVHA-SJLPKXTDSA-N 420.535 0.938 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ccccn2)CC1 460614838 PRTIEVBOCGPPHR-UHFFFAOYSA-N 416.445 1.130 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@@H]3C2)C1=O 461422574 DFYRCMHNZBFWSV-QZTJIDSGSA-N 410.474 0.944 30 20 HCED CS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c1 463423313 HZLBBFYUAZYWBD-UHFFFAOYSA-N 411.505 0.481 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc2c(c1)c(O)nc(=O)n2C 465265770 HVDCDTGAWIWMQI-LLVKDONJSA-N 406.406 0.047 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CCO1 467608175 NCCVOMVGWADZPP-OAHLLOKOSA-N 409.402 0.789 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 471054592 ZBXFCDVHQLYZMK-GOSISDBHSA-N 404.492 0.751 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 481982284 PQDQOOFUQUJVTC-LBPRGKRZSA-N 414.512 0.683 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 487988989 OWXYHMWKWBYOGV-GOSISDBHSA-N 408.524 0.547 30 20 HCED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489294047 PZZLZMVXKVMGMN-RYUDHWBXSA-N 424.548 0.671 30 20 HCED Cc1ncc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 489493281 RSYOTSVSSDYBKG-HNNXBMFYSA-N 416.459 0.865 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(=O)N(Cc4ccccc4)C3)CC2)o1 490678995 XNIUBYOJRXJATF-UHFFFAOYSA-N 408.462 0.805 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 499466719 IVMFBEGRDGRANP-MRXNPFEDSA-N 417.441 0.693 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1=O 500493886 OTJZRLBVIGOBHJ-MRXNPFEDSA-N 412.450 0.431 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 508321828 IUYMDGNLCHGYHL-MQVJKMGUSA-N 413.478 0.705 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 508921198 YCWCBNOTSKKHPF-MRXNPFEDSA-N 416.530 0.528 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CC(N)=O)c1ccccc1 512403173 AEQXUJQKNBQZFE-DYVFJYSZSA-N 400.460 0.958 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)cc2)c1=O 514337636 MKVJKIHTJWNYHE-UHFFFAOYSA-N 404.289 0.991 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CC)c2=O)c1 515683773 KOSIUJJXXLQILQ-UHFFFAOYSA-N 401.488 0.594 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(C)(C)O)C3CCOCC3)CC2)o1 533022671 KYNKDOAFMORHCR-UHFFFAOYSA-N 405.499 0.755 30 20 HCED CCn1c(=O)n(CC)c2[nH]c(=NC(=O)CCC(=O)N=c3ccn(CCC#N)[nH]3)ccc21 534275968 OZJOTOWVSAEQOD-UHFFFAOYSA-N 424.465 0.549 30 20 HCED C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 540755266 LNUJLVNLJGHGRA-MRXNPFEDSA-N 406.483 0.679 30 20 HCED CCN(CCC#N)C(=O)CNc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 543658323 MMJXYCPXONXSDO-UHFFFAOYSA-N 400.439 0.354 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)C1=O 546072472 XMMVPEMOKHEJIS-HNNXBMFYSA-N 419.500 0.995 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 556410217 ICLGIFFKPJUIST-UHFFFAOYSA-N 419.463 0.152 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 557497285 IBAGYPMTCJDCRE-YOEHRIQHSA-N 422.507 0.321 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCN1Cc1ccccc1 560732175 GMGJMOGZBNCEHO-SJORKVTESA-N 423.439 0.976 30 20 HCED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCc2ccccc2C1 560866222 KMCKHCWJFZTBFR-HNNXBMFYSA-N 423.521 0.818 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(COC)cc(C(=O)OCC)c2)C1=O 561497471 DSWYSZLGJKGUNI-UHFFFAOYSA-N 403.391 0.925 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)NCC(=O)NCC#N)cc2)C1 571546097 XBCFIXGFIIRTMX-CQSZACIVSA-N 407.496 0.546 30 20 HCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 574325268 DAOSRPONGLFMFP-VXGBXAGGSA-N 404.452 0.357 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCCO[C@H]3CCOC3)C2=O)cc1 579165470 UYFBHQDJQPNACV-ZWKOTPCHSA-N 414.462 0.482 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cscn3)CC2)cc1 582575690 CNGNKRLCOKDUCC-UHFFFAOYSA-N 405.505 0.637 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)NCc1ccco1 583594747 KYOJZZJEJKOIJO-GFCCVEGCSA-N 407.390 0.492 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)n(-c2ccc(C#N)cc2)n1 585760499 WNTKPJPIIJLLDA-HZPDHXFCSA-N 411.462 0.934 30 20 HCED CN1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862526 ZNUGXEVWWKNSJT-GOSISDBHSA-N 401.486 0.942 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)C1=O 589928037 LQIQRVLOUSTNRN-UHFFFAOYSA-N 410.386 0.608 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1C1CC1 590997533 ZJYJKNNPACEMRL-UHFFFAOYSA-N 413.499 0.909 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 608230177 IQGVVVGXNMNYAV-DYVFJYSZSA-N 417.491 0.808 30 20 HCED C=CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 609746980 HUOGRUQVCPWLAK-UHFFFAOYSA-N 411.484 0.823 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)ccc2F)c1=O 611078564 HOBBCWZNHRWDIY-UHFFFAOYSA-N 409.870 0.988 30 20 HCED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1 726405705 QEMUNDKTQCZGJT-CABCVRRESA-N 405.501 0.923 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCNC(=O)c2ccccc2OCC)CC1 728535100 YSQPDLDJXWWBNU-UHFFFAOYSA-N 414.506 0.489 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nnc(S)n3CC)CC2)C1=O 731643303 LIFOSOBPRRZVJI-UHFFFAOYSA-N 406.468 0.270 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)OCc2ccccc2)CC1 733149438 GXVJAYONPPDCST-UHFFFAOYSA-N 414.506 0.977 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 733164443 SUQURAZFJWEQGK-UHFFFAOYSA-N 407.540 0.210 30 20 HCED Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 734072783 AYWSRQDAYVNKBM-UHFFFAOYSA-N 401.448 0.832 30 20 HCED CCN(CC)C(=O)CN1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 738298893 IXKWUUDEJMRAFQ-QGZVFWFLSA-N 424.505 0.998 30 20 HCED C[C@@H](CC(=O)NCCc1nnc(S)n1C)/N=C1/NS(=O)(=O)c2ccccc21 742638620 WJPNHDIAPBJKHX-JTQLQIEISA-N 408.509 0.280 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 743962394 RFSRZPPKDTWLFP-OAHLLOKOSA-N 413.409 0.822 30 20 HCED C#CCN1CCN(C(=O)CN2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CC1 746500995 HUWQEOQKWHMXLU-SFHVURJKSA-N 422.526 0.346 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 746543737 URQZGKAREIICDA-UHFFFAOYSA-N 412.427 0.456 30 20 HCED CC(C)(C)NS(=O)(=O)c1ccc(NN=C2CCN(S(C)(=O)=O)CC2)nc1 747632819 IPUYGJONIDTAOL-UHFFFAOYSA-N 403.530 0.982 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(CCC#N)CCN2CCOCC2)ccc1F 749378848 GFBKBSNVNZNIAJ-UHFFFAOYSA-N 424.498 0.978 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)ccc1F 753274670 LZWPRJLVIHVNRW-GFCCVEGCSA-N 419.500 0.301 30 20 HCED C#CCN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760531375 OPOOEVVQXQTTON-GFCCVEGCSA-N 405.398 0.709 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763435984 FLMFMVUTFVPFCF-UHFFFAOYSA-N 400.504 0.457 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 766975983 BSDYUSORQCAZKT-BETUJISGSA-N 405.432 0.547 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cncs2)c1=O 767872602 RGJZGKJBXNXPPK-UHFFFAOYSA-N 404.542 0.631 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769648572 XVAZMJBOWBSONY-UHFFFAOYSA-N 411.531 0.602 30 20 HCED Cc1ccc(-n2nc(C)cc2NC(=O)C(=O)NCCNc2ccc(C#N)cn2)nn1 773195360 XJSATOHWIVRVLS-UHFFFAOYSA-N 405.422 0.713 30 20 HCED C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)[C@@H]1CCCO1 775342240 UYJCIVYGSNQKBA-MOPGFXCFSA-N 424.519 0.881 30 20 HCED CN1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 779523783 TWKYZHNEBVPKIM-HEHNFIMWSA-N 421.523 0.602 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)s1 780886887 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CCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(C)C1=O 801507481 CGOQQURJLMUVLC-ZDUSSCGKSA-N 406.464 0.111 30 20 HCED CO[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 807407320 AEJNOEQKSIRTFF-GJEKEPIOSA-N 410.496 0.931 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCCO1 808798685 QRCKCUNAQGGLKS-IAGOWNOFSA-N 405.476 0.140 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)n1cccn1 815912476 NITYSVUPIWEJJH-WMLDXEAASA-N 424.461 0.952 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc2nc[nH]n12 816655399 DFJXVBYMJZBNGJ-NSHDSACASA-N 402.440 0.688 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)cc2F)c1=O 916200144 VAXJYRMHOJGSIV-UHFFFAOYSA-N 405.426 0.616 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 916891324 SMGHQSJJGONCIH-ZIAGYGMSSA-N 413.521 0.929 30 20 HCED C#Cc1cccc(NC(=O)CN(C)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c1 917153887 OGWKYCOIEVSXNJ-UHFFFAOYSA-N 422.551 0.715 30 20 HCED 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30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1831406535 VIRHLOYDCDIAJV-OAQYLSRUSA-N 420.510 0.781 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCOC3=O)CC2)CC1 1833384857 NJKBCJPCWVHAEX-MRXNPFEDSA-N 420.510 0.049 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)nn(-c3ccccc3)c1O)CCO2 1833413316 FIGKFOZZLOAAJW-JOCHJYFZSA-N 424.457 0.590 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ncnn3C)CC2)CC1 1833474053 YNBZXGJWIJQMKG-HNNXBMFYSA-N 404.515 0.591 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ncc(Cl)cn4)CCO3)C2)CC1 1833785980 RWVPSLLSLHOMJQ-SFHVURJKSA-N 405.842 0.504 30 20 HCED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1834232734 DEDSBAYTPXSDMH-JOCHJYFZSA-N 408.458 0.542 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccn1)CCO2 1834296101 XTSNBMSLOZTFQM-YUSOBQLHSA-N 413.434 0.259 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncs1)CCO2 1834470465 SNPUSIDOAVSNEO-LJQANCHMSA-N 423.491 0.723 30 20 HCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834753656 OHCXLCPKCDAAKF-UYAOXDASSA-N 403.435 0.099 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nc5ccncc45)C3)C2)CC1 1835342564 VRNASVJQTRFYFW-HXUWFJFHSA-N 410.434 0.332 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)c1 1835845218 JKZRCOMOMCZLFB-GOSISDBHSA-N 416.463 0.309 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4[nH]nc5ncccc45)CCO3)C2)C1 1836451355 UVWDPNXMOHNDAP-NRFANRHFSA-N 411.462 0.994 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)cc1 1836488293 LNHCYCRTRQJSBX-JOCHJYFZSA-N 423.473 0.788 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1836860770 XYBIPNQNNLAOPY-OAHLLOKOSA-N 416.478 0.420 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1838271439 HKMHNHZCOFYAOF-IIBYNOLFSA-N 420.510 0.644 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCCCO)cc1)CCO2 1838546912 TYKFVDCPVBYQKW-NRFANRHFSA-N 417.462 0.431 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1839173300 IVKVILZNAAXACM-IBGZPJMESA-N 407.423 0.254 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1839223632 BFKLHSYBAWNVNK-OXQOHEQNSA-N 406.483 0.896 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840161130 FHFOTKOZZQHZFK-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1840171129 QMVPOHMOMTUHIK-QFIPXVFZSA-N 405.539 0.978 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCCC1)CCO2 1840216853 SGKCMMXMYYBQPM-XWRADEMYSA-N 420.510 0.609 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1 1840400642 BDDJKBYICOWEKR-JXFKEZNVSA-N 403.483 0.759 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC[C@@H]4CCOC4)CCO3)C2)c1 1840589225 CBODGFLFTCUEJH-IIBYNOLFSA-N 416.478 0.773 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C34CC(C3)C4)CCO2)C1 1840597939 KGABLRBZXDOTOJ-VYHPPPRESA-N 404.511 0.525 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@]1(C)CC1(F)F)CCO2 1840823746 CPJRIYUNLBSKRF-FHLIZLRMSA-N 400.422 0.526 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840938312 NPPPZTCMJLLDHB-JOCHJYFZSA-N 423.554 0.912 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894315 MZKVOYMVZYKHIM-QGZVFWFLSA-N 409.552 0.689 30 20 HCED CCOc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1S(=O)(=O)N1CCCC1 14144228 AYCKIQBOHQYBBG-UHFFFAOYSA-N 404.452 0.972 30 20 HCED N#Cc1c(F)cccc1N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 30359217 PJIUAZZNLWIFLO-UHFFFAOYSA-N 424.479 0.856 30 20 HCED COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1OC 435204313 XGBSWVNYTXNUKX-UHFFFAOYSA-N 401.488 0.800 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 438763028 YXCXSUMZCHJHBN-UHFFFAOYSA-N 414.466 0.371 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)[C@H](C)CC#N 439329721 PQUVHAVCUZNAGZ-CYBMUJFWSA-N 424.479 0.415 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 441931726 XKRHZLALSKVQDT-ZDUSSCGKSA-N 401.513 0.789 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3CO)c2)c1 442270906 LZTXYKMICABRLL-WOJBJXKFSA-N 422.437 0.766 30 20 HCED CCCc1c(NC(=O)C(=O)NCCS(=O)(=O)NC)cnn1-c1cccc(C#N)c1 443757561 LWCJYJJUKWFVEF-UHFFFAOYSA-N 418.479 0.300 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)cc1C#N 461366449 NWXPZCRZKWIERV-HNNXBMFYSA-N 424.482 0.125 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 462010587 OCPRMMUOJIBYOW-HNNXBMFYSA-N 422.493 1.264 30 20 HCED COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCN(CC#N)CC2)cc1 465140739 OHOJTMSIEWFDSE-UHFFFAOYSA-N 424.523 0.251 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)C1=O 466499072 JIWYOUQPUHUHJM-MRXNPFEDSA-N 407.492 0.566 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)c3cc(N4CCNC(=O)C4)ccn3)n2)c(F)c1 469813753 JNPUHEJVZISYMB-UHFFFAOYSA-N 405.393 1.467 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[C@H](CO)O1 470914603 CGOQFXMUHPIQAQ-WMLDXEAASA-N 414.462 0.816 30 20 HCED CC(C)[C@H](NCC(=O)N[C@@](C)(C#N)C(C)C)C(=O)N(C)Cc1nnc2n1CCC2 470994868 GTDNOJLIPTWYBI-ICSRJNTNSA-N 403.531 0.851 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)C1=O 471473041 YEVUOXCFPNRKHP-INIZCTEOSA-N 412.446 0.774 30 20 HCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncnn1C 473918476 HWMGIHQLLOEQHK-CYBMUJFWSA-N 403.468 0.464 30 20 HCED COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 476683412 AJTXLUAHJMTHDF-UHFFFAOYSA-N 407.430 0.956 30 20 HCED C[C@@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 480455105 SQWRJBKMWZFYIK-BZUAXINKSA-N 408.524 0.841 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 497781694 MVGBDXHVBZSXDO-UHFFFAOYSA-N 406.489 0.868 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 498687146 SLYYUAWBWISDAC-KBPBESRZSA-N 404.492 0.928 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 500011470 HMQBTNVAQYTJDP-MRXNPFEDSA-N 403.435 0.917 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 508505069 MFFPJCNKTAVSGE-GOSISDBHSA-N 414.572 0.863 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)N(C)[C@H](C)CC#N)c1 509179522 PFPLDBBOIPTJCZ-GFCCVEGCSA-N 409.472 0.590 30 20 HCED CCOC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCCOC1 511636332 WCNUSOQKFYHWIB-DOTOQJQBSA-N 423.491 0.885 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCN1CCNC(=O)C1 513593600 ZNHQJVXBEFBNAP-UHFFFAOYSA-N 408.418 0.232 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)Cc2nnnn2Cc2ccccc2)cc1 521184095 RQFPSTPRPCNCMA-UHFFFAOYSA-N 410.459 0.824 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 532667130 ORPUKPMPUXSJGM-UHFFFAOYSA-N 402.480 0.806 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536967709 HWKWXNQCUVRFNE-CYBMUJFWSA-N 404.471 0.544 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 539382376 MFKMOIJOODFGDR-GJZGRUSLSA-N 422.507 0.321 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 540749231 XOHPBMKPUQTXGF-UHFFFAOYSA-N 414.871 0.237 30 20 HCED CCc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] 549098772 LLZGAZCMGUZSAX-UHFFFAOYSA-N 418.435 0.899 30 20 HCED COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)C2=O)c(OC)c1 553887523 SRSUABGJZOOSKP-XJKSGUPXSA-N 410.496 0.873 30 20 HCED COC(=O)[C@@H]1CNC(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 556096126 PRJAFFBGPRZPLA-KRWDZBQOSA-N 409.446 0.878 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)C2)nc1 561099077 BQZHXRQGLZMCQE-LLVKDONJSA-N 420.223 0.658 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2ccc(F)cc2)cc1 564449777 KUHQLSCHLGOFEW-UHFFFAOYSA-N 418.450 0.912 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)C1=O 607096826 OQFRVZJGULAJCI-UHFFFAOYSA-N 420.447 0.351 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 609338279 XIXRNCXQZLBBMX-UHFFFAOYSA-N 409.487 0.830 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@H]2C(N)=O)nnc1-c1cccnc1 610217316 XJQGRXVWJNCKQW-ZDUSSCGKSA-N 415.479 0.804 30 20 HCED CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)O1 611373182 BCNQSDUKJXUDGR-DLBZAZTESA-N 400.483 0.857 30 20 HCED CN1CCN(CCOc2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 615634893 MGPFITSTCNSMJX-FQEVSTJZSA-N 403.458 0.715 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1ccc(C#N)c(Cl)c1)C2 619768699 RDPPLCGMTDDORZ-UHFFFAOYSA-N 417.857 0.383 30 20 HCED CS(=O)(=O)CCOc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732432000 YNVORSUABCHIAC-MSUUIHNZSA-N 422.463 0.758 30 20 HCED CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 732899439 VNWHFFJMTGURRI-BWHBBIDMSA-N 424.523 0.961 30 20 HCED C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 741667951 XWMGLIFMUVXMPO-IRXDYDNUSA-N 421.519 0.810 30 20 HCED C#CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(F)cc1 744206723 YMBWIJYHJXJUQA-IBGZPJMESA-N 407.511 0.592 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 745015064 ZWDQPTBISGGHRR-DOMZBBRYSA-N 411.436 0.982 30 20 HCED Cc1oc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1C 745484811 YCDBDCZXWSZBGF-MPTQWLOMSA-N 401.375 0.412 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cn1 746378167 PLKCEPSQCNBJGX-CYBMUJFWSA-N 411.340 0.920 30 20 HCED CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 747591588 YTILCTTVYNDNFR-QGZVFWFLSA-N 415.494 0.955 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 747823752 ULCYDQFIDRBISN-UHFFFAOYSA-N 406.508 0.351 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 747850054 OJRJLTRUXRNWLK-UHFFFAOYSA-N 413.521 0.087 30 20 HCED C=CCNC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 748125760 JOQQEHYMYLDNGQ-OCCSQVGLSA-N 402.856 0.309 30 20 HCED C#CCNC(=O)C1CCN(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2=O)CC1 751590818 QRRAIWGBVBDEGY-QGZVFWFLSA-N 419.526 0.762 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(OC[C@H]2CCOC2)CC1 752794284 XTIAPYSUKDVRRP-AWEZNQCLSA-N 407.492 0.769 30 20 HCED N#Cc1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cccc1S(N)(=O)=O 754963620 CQPKIBWQOWLQSO-UHFFFAOYSA-N 424.479 0.856 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 765491285 VXPPCKYXACOCRC-PHODEOQFSA-N 408.455 0.655 30 20 HCED CCc1nnc(S)n1CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765656928 IYWQKOZSTBCUTA-LLVKDONJSA-N 408.509 0.484 30 20 HCED Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 766282827 QPCBCIBYRNEUDC-LLVKDONJSA-N 407.408 0.882 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(OC[C@H]2CCOC2)CC1)c1cc[nH]n1 772546114 XVYKWFFORPWVIH-AWEZNQCLSA-N 408.455 0.738 30 20 HCED Cc1nn(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1-c1ccccc1 774094361 KEWIEYGBGSBYRR-INIZCTEOSA-N 400.460 0.824 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 776475832 WZRSDVIBCBLBFF-UHFFFAOYSA-N 404.833 0.567 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(/C=C\C(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 783478920 GWFZZCWDCZCIOG-CGQZWFTASA-N 418.471 0.850 30 20 HCED 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30 20 HCED CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)F)CCOC1 1547861924 VUJLAZYSZYONAZ-PXAZEXFGSA-N 400.430 0.907 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1 1625108709 TUJXEVHMFHXWKR-XCRHUMRWSA-N 417.491 0.995 30 20 HCED CC(C)(C)OC(=O)N1CC(O)(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1626695502 XMHQHTDGQPZBLT-INIZCTEOSA-N 414.462 0.757 30 20 HCED CCO[C@H]1C[C@](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)(C(=O)OC)C1(C)C 1633167604 KORZSMTVSGWNDP-KXBFYZLASA-N 423.491 0.700 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCC1 1663381133 IORGPXULBBSBRR-MRXNPFEDSA-N 418.516 0.930 30 20 HCED CCS(=O)(=O)NCCn1c(Cc2ccncc2)nnc1N1CCC(C#N)CC1 1696507299 ZPCRLDNBKYYKFP-UHFFFAOYSA-N 403.512 0.943 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)n1 1707826556 MDIMWZJYMOCRIU-RBUKOAKNSA-N 402.478 0.648 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCN(CC)S(C)(=O)=O 1710744970 PPRRVTOYBMCSKK-CQSZACIVSA-N 400.505 0.215 30 20 HCED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CC1 1722799235 QVVGIJLCKWEAHW-UHFFFAOYSA-N 416.530 0.320 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1cccc(OC)c1 1767959654 JTXMECIFRGARNO-QGZVFWFLSA-N 414.466 0.982 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1)C(F)(F)F 1779879954 XNBLRSLDVKHLFS-MRXNPFEDSA-N 413.356 0.138 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1780801875 ACVPDUNISIUQSJ-RZQQEMMASA-N 422.530 0.141 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c(C#N)c1 1781173719 CDKBZHIHJPDGTL-NRFANRHFSA-N 409.446 0.976 30 20 HCED COc1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c(F)c1 1782011241 UGKOPRJEFBBJMT-FOIQADDNSA-N 419.409 0.445 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnc3ncccc13)C2 1782015315 JYSCPSBUPGDHCI-VGOFRKELSA-N 422.441 0.845 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1783190047 UOPZRHHBNMQJIH-INIZCTEOSA-N 413.381 0.833 30 20 HCED 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C=CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CC(=O)NC2=O)[nH]n1 1815213564 ZSVWXUOPMWDTAZ-OCCSQVGLSA-N 418.454 0.545 30 20 HCED NC[C@H](N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)/C=N/O[C@@H]2CCCCO2)n[nH]1 1819452614 BNMSXKOGCNFRNS-OWCDFYGKSA-N 407.475 0.217 30 20 HCED COC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1826503178 FEHWWJJAGSWKCF-JTQLQIEISA-N 402.436 0.925 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccc(OC)cc1)CCO2 1830223551 AVMHSZULNZETFO-UNMCSNQZSA-N 416.474 0.598 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)c(O)c1)CCO2 1830248428 SEOIGSUIGLGSSE-JOCHJYFZSA-N 416.474 0.813 30 20 HCED CC(=O)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)(C)C 1831081999 AMAUZOAMQBEDAK-KNQAVFIVSA-N 419.522 0.407 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(F)(F)F)C2)C1 1831391642 TZBMZQXFMACISO-PBHICJAKSA-N 406.401 0.824 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCSCC3)C2)C1 1831402854 TXUMPSLIWCUGKU-UZLBHIALSA-N 410.536 0.624 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1833477680 PPRUUPXGRGYBMS-INIZCTEOSA-N 404.515 0.441 30 20 HCED CCc1[nH]nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1F 1834040417 XNQPQLOUDAEDSS-UHFFFAOYSA-N 419.457 0.384 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccnc3OC)CCO2)C1 1834124657 GAAHDNBQJFJCEH-IERDGZPVSA-N 417.462 0.199 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834187679 UNHFOOKOYVURAT-LPHOPBHVSA-N 409.508 0.812 30 20 HCED CC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1834713473 OVDVASHXZVYXEE-VZSQWMKGSA-N 406.460 0.532 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1 1835098369 IUOAIPBRWUCJRM-QHCPKHFHSA-N 422.485 0.700 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4snnc4C4CC4)C3)C2)CC1 1835341740 CFFXJAMIZJYUPJ-LJQANCHMSA-N 417.491 0.789 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3snnc3C3CC3)C2)C1 1835357324 SGSZOIAFWQWJQV-GOSISDBHSA-N 405.480 0.789 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835592047 HFEQLUWCBZSSIL-XGHQBKJUSA-N 423.558 0.098 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835694830 HVBACCTUCPVAQE-ABSDTBQOSA-N 422.551 0.492 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3[nH]cc4c3CCC4)CC2)CC1 1836086666 DCUPLYBITQXTAV-UHFFFAOYSA-N 412.490 0.777 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CNC(=O)O4)CC3)CC2)c1 1836168648 IGIWLPDHHOIBIL-KRWDZBQOSA-N 414.466 0.180 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836186776 ZJPGPGQDFDJWQD-OAHLLOKOSA-N 418.494 0.390 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCCO5)CCO3)C2)C1 1836965429 NSQGSAHMBNRIQY-NRFANRHFSA-N 416.478 0.702 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn4ccnc4c3)CCO2)C1 1836988437 BYKPXHVXCDKFEN-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@]3(C)CCCN3)C2)C1 1837401115 ULGPGBXRXQOUJW-DQLDELGASA-N 409.527 0.158 30 20 HCED CC1=C(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)CCO1 1837442565 ZRFHXGUTGVYUJO-UKKLRFBMSA-N 420.510 0.609 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837527843 XUZASFPSFMEJLG-VRFIZVPASA-N 420.466 0.276 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1837562114 DAPDXGBKJGBTPC-XACCNFBGSA-N 415.450 0.052 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838095120 MPSCRYPSZPGFJO-OXQOHEQNSA-N 419.482 0.656 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cccn1 1838742033 MSHCPXFBDRDSLA-FOIQADDNSA-N 412.450 0.414 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)N2CCN(C)CC2)CCO3)C1 1839101515 OCRHZSCDZQOFFJ-PGRDOPGGSA-N 420.554 0.045 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839450692 CXVAIULXZZKSAH-WIYYLYMNSA-N 401.463 0.708 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)ccc1F 1840043632 LEDGMQFLAXCQJP-FQEVSTJZSA-N 404.394 0.292 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816267 VAHFYMVNUVCKDR-NRFANRHFSA-N 414.462 0.358 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1840842317 BCRQDMUFSRZHLC-JXFKEZNVSA-N 401.467 0.147 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)CNC(=O)c1cc(C)on1)C2 1841605417 BXDIIIRECWSFJO-UHFFFAOYSA-N 404.467 0.899 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1841625757 YREKBZFQWMORSH-HNNXBMFYSA-N 405.524 0.788 30 20 HCED Cn1c(=O)c2c(ncn2CCN2CCCN(Cc3ccc(C#N)cc3)CC2)n(C)c1=O 21405955 KKNZEYVEWZWXHE-UHFFFAOYSA-N 421.505 0.513 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CC1 216305897 OQOCZFAEZAQTGK-IBGZPJMESA-N 400.508 0.682 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 439059106 SWRKVDMYTNBYKV-UHFFFAOYSA-N 409.487 0.810 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1cc(C#N)c(C)n1 439206495 DDYSLVVYMKQUOX-UHFFFAOYSA-N 419.463 0.731 30 20 HCED CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 439575661 ADHVJZXBJYDARF-UHFFFAOYSA-N 418.498 0.859 30 20 HCED CO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)C1 441358323 PKFUMODFNSLLKA-FUHWJXTLSA-N 420.535 0.890 30 20 HCED C=CCCOCCNC(=O)NC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 446652422 INOSUMDJJOGTIX-UHFFFAOYSA-N 402.439 0.739 30 20 HCED Cc1nsc(N2CCN(C(=O)CSCC(=O)N3CCOCC3)CC2)c1C#N 461186124 BHFGXSZJYARCII-UHFFFAOYSA-N 409.537 0.564 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 462017981 VCORLNKXDLHQLB-UHFFFAOYSA-N 424.465 0.648 30 20 HCED Cc1nn(C)c(N2CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 472148750 BHYHQJUKSSSLRA-UHFFFAOYSA-N 404.496 0.449 30 20 HCED C=CCN(CC(=O)Nc1cc(-n2nnnc2C)ccc1F)[C@@H]1CCS(=O)(=O)C1 472724100 GYXPOQCNJAWTFX-CQSZACIVSA-N 408.459 0.723 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c1 475257958 FNHRNZDLBZHCEA-SFHVURJKSA-N 419.441 0.903 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CN(CC)CC(F)(F)F)C2)C1=O 477234661 KFYIKONKJAPXOG-LBPRGKRZSA-N 404.389 0.696 30 20 HCED N#C[C@@]1(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCOC1 478646462 PIHCZSNOYACRAC-AWEZNQCLSA-N 402.270 0.916 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 480957981 GZKPJWOMNVPRRJ-UHFFFAOYSA-N 409.471 0.616 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1Cc1ccon1 480963745 XCXYHPQYPFURMF-UHFFFAOYSA-N 414.443 0.113 30 20 HCED CCN1CCN(CCCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482176270 KYMLDLQISMPNHE-QGZVFWFLSA-N 421.567 0.759 30 20 HCED C[C@@H]1OCC[C@@H]1N(CCO)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 485196009 UVXIEBGDNRDEPN-WFASDCNBSA-N 401.398 0.820 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(Cl)c1 490383257 YFJPQLICKMRYAM-UHFFFAOYSA-N 403.826 0.100 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nnc2n1CCCC2 497719247 HIUPXYLZFNBSER-AWEZNQCLSA-N 416.507 0.902 30 20 HCED N#CCC(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 503624067 HNZFVTWIGKEZON-UHFFFAOYSA-N 407.390 0.286 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC(O)(CC#N)C2)o1 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30 20 HCED Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 567285916 QZOUGEPBAHYRQX-UHFFFAOYSA-N 419.449 0.155 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 585864305 QUHNKBWRSWKJRZ-SFHVURJKSA-N 423.514 0.711 30 20 HCED C[C@@H](NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C#N)c1 587689701 MFAYTZGQRXIOKG-FMUWMXLXSA-N 406.442 0.659 30 20 HCED CN(CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccnc1 603615714 CJSPRGHVWDGDQV-UHFFFAOYSA-N 413.503 0.918 30 20 HCED COCCN(CCOC)S(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1 603631127 DILJISIHRCIAMN-UHFFFAOYSA-N 400.476 0.659 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2CC)CC1 603826159 ZCSFBHWBMOUTED-UHFFFAOYSA-N 414.506 0.736 30 20 HCED CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c1C#N 609448128 YFWGWJPJIFNBGO-NSHDSACASA-N 422.532 0.928 30 20 HCED CN(C)CCN1C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1=O 610422907 WKUSCXRWIHITBM-HNNXBMFYSA-N 400.483 0.482 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC[C@H]3CCCO3)CC2)cc1 610756497 FSMJMIHNYPICBQ-MRXNPFEDSA-N 413.521 0.763 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 619583184 BWQJQGMNKWNDJK-GOSISDBHSA-N 408.524 0.605 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1CCOCC 725764007 DSCVAAQZCYXURT-UHFFFAOYSA-N 417.535 0.326 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1=O 726043753 RFGYWSVHDGGUQW-OCCSQVGLSA-N 415.402 0.535 30 20 HCED N#CCNC(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 731244336 OKQUYFPFQYJGOG-FQEVSTJZSA-N 420.425 0.683 30 20 HCED CON(C)S(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732415663 CVOFMSKKQHOOPH-NXVVXOECSA-N 423.451 0.516 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21 734225045 VAKAVXQXTWONQN-IBGZPJMESA-N 407.426 0.855 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2SCCC(N)=O)CC1 737169181 XRFJKORVGPLNKT-UHFFFAOYSA-N 416.503 0.581 30 20 HCED C[C@H]1CN(C(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 745496644 OIZDSQBUBWKUIF-RDBSUJKOSA-N 423.491 0.683 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 746277883 ATFQFYOZRBMSTM-GHXQLAGASA-N 400.395 0.919 30 20 HCED C#CCN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760531377 OPOOEVVQXQTTON-LBPRGKRZSA-N 405.398 0.709 30 20 HCED CCc1nnc(O)c(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1CC 762984114 HVGLXNJPFBFPEG-UHFFFAOYSA-N 403.464 0.662 30 20 HCED COCC1(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 765838667 LFZXOKWKCMYQEH-RCCKNPSSSA-N 408.480 0.733 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769761815 NPSYQFKJEVUGMM-UHFFFAOYSA-N 403.420 0.036 30 20 HCED CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 770791106 IFJYIIBPZSKSHV-CQSZACIVSA-N 404.423 0.869 30 20 HCED C#C[C@H](N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775807761 VEUNNCJIZJWOBR-MNEFBYGVSA-N 421.519 0.805 30 20 HCED Cc1ccc(C(=O)NS(=O)(=O)CCCC#N)cc1S(=O)(=O)N1CCOCC1 776119588 UOXRWQPEPLOBOO-UHFFFAOYSA-N 415.493 0.379 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 788273948 YSBCDWWRUAOFHB-CABCVRRESA-N 408.499 0.747 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(S(C)(=O)=O)CCC3)CC2)o1 796189047 OVGUWBGMSBSAIS-UHFFFAOYSA-N 410.452 0.014 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)OC 796460522 YBDWMYCBPBMQFS-MGPUTAFESA-N 401.419 0.240 30 20 HCED CCN(CCC#N)S(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 800045231 DWFOCSORWZJXST-UHFFFAOYSA-N 403.549 0.951 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)nc1 808182808 BSFOXZFQRYDGJP-KRWDZBQOSA-N 412.494 0.921 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814251556 JWQLAZIJRZDVJX-UHFFFAOYSA-N 419.457 0.280 30 20 HCED C#CCN(C)CCCNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 818593157 NXMROGKSDBZJFH-OAQYLSRUSA-N 400.479 0.842 30 20 HCED 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412.490 0.576 30 20 HCED Cn1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)c1=O 1779134538 JORDXJBGGRZXMF-XZEIMLRBSA-N 412.446 0.541 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1779135639 BOLBBXCFFJGURP-LWOHLBADSA-N 422.445 0.885 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779312199 ZMRDSYNXNLOQLE-WIYYLYMNSA-N 407.511 0.736 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781393403 NMTIRDVCSNQVSN-YWZLYKJASA-N 410.515 0.780 30 20 HCED Cc1ccc(C(=O)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1782097624 BHKFHTLXVRQSGS-VGOFRKELSA-N 412.442 0.780 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(N4CCOCC4)n3)CCO2)C1 1783894760 ONBVVNSGLLTAGH-FOIQADDNSA-N 420.535 0.680 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)[C@H]2C1 1784523449 HCAUUBIRKFPHOU-OWSLCNJRSA-N 412.552 0.840 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1 1785369195 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411.510 0.227 30 20 HCED CN1CC(C(=O)N2CCC(N3CCC(NC(=O)C(C)(C)NCCC#N)CC3)CC2)C1 1834715870 OUFUAVHWUUESIX-UHFFFAOYSA-N 418.586 0.401 30 20 HCED CN[C@@H](CC(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)C(=O)O 1834740643 OBOBSMWFLXLCEL-SFHVURJKSA-N 404.511 0.034 30 20 HCED CC[C@H](NC(N)=O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1835052948 LJOIMTIEMLWPPY-INIZCTEOSA-N 406.531 0.555 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836184058 AUHDUCWJNJNLGP-LAUBAEHRSA-N 403.479 0.672 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1837213213 HQAFUOXYUBROOB-HGHGUNKESA-N 424.494 0.069 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1837395034 OIMUDYWCZWOSEB-OXQOHEQNSA-N 406.483 0.063 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)n(C)n1 1838734986 RNOLUFBQDHSWFG-FQEVSTJZSA-N 412.450 0.312 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437847 UIRYZCIYBXQDEJ-JOCHJYFZSA-N 423.473 0.751 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1)C(F)(F)F 1839894873 WGUCYPVKLQRMSZ-MRXNPFEDSA-N 417.388 0.243 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4ccccc43)C2)C1 1840043942 DHHDJCMSRNBYKR-PGRDOPGGSA-N 412.442 0.261 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(F)cc3F)C2)C1 1840158253 JLEDWTPBQBSQIM-DIFFPNOSSA-N 401.435 0.748 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1840163142 DNOLURVMLYHFDO-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1840295552 VGMFNRPNLQQQKY-RTWAWAEBSA-N 424.494 0.252 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840484761 IBNSKALVIGMSDV-QFIPXVFZSA-N 415.490 0.858 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561664 WBIYQOGOLZCQSE-XLKFECATSA-N 423.466 0.276 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nc1 1840813817 XILKPJUNCMLPII-NRFANRHFSA-N 414.462 0.854 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2 1841053144 VVCQMLKPIIPZTO-CNZFZVQHSA-N 404.511 0.599 30 20 HCED COc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)n(C)n1 1844282200 NCOFBDSVOKXMJT-UHFFFAOYSA-N 400.479 0.944 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)N(C(=O)OC(C)(C)C)C1 1846450176 FIPZFWHAJQYCBN-AWEZNQCLSA-N 421.498 0.424 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 8005849 UGPSJHRQSQVFPW-NRFANRHFSA-N 412.446 0.656 30 20 HCED CN(CC(=O)NCCNC(=O)c1cccs1)S(=O)(=O)c1ccc(C#N)cc1 46201436 RPZVNAHZKNFSSJ-UHFFFAOYSA-N 406.489 0.786 30 20 HCED Cc1nccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 56473943 ZYLKHFXBRDDBGC-UHFFFAOYSA-N 400.464 0.873 30 20 HCED CN(C)CCCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 64361255 BCURMQXIHULTQU-UHFFFAOYSA-N 421.523 0.115 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 108938536 BEANUACATUQKSM-DNVCBOLYSA-N 423.466 0.794 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(c3ccc4cc(C#N)ccc4n3)CC2)CC1 301991782 YNKLJDWVYSXJNX-UHFFFAOYSA-N 400.508 0.721 30 20 HCED C[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N1CCS(=O)(=O)CC1 409649770 QYJOWBCUOHBNQS-ZDUSSCGKSA-N 401.448 0.119 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 437529447 SZSNABMLUNHUBC-QAPCUYQASA-N 407.492 0.518 30 20 HCED C[C@@H](CC#N)N(C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 439324641 IWIJFAKWTLOITJ-WMLDXEAASA-N 400.435 0.400 30 20 HCED Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H](CCC#N)c3ccccc3)cnc2n(C)c1=O 439417641 DIBCHIBRWXMZMO-INIZCTEOSA-N 420.429 0.732 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 441599511 CCGPIWOBNAMUGL-SFHVURJKSA-N 421.457 0.524 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)C1=O 444493482 COMWTWSTFSIINX-NSHDSACASA-N 411.817 0.723 30 20 HCED COc1ccc(CN2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)cc1F 444505296 GLIQMMVGXOQTDL-UHFFFAOYSA-N 414.441 1.227 30 20 HCED N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 463336339 RANQNAUHKIUNKB-OAHLLOKOSA-N 413.521 0.867 30 20 HCED COC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465416319 KICFQTDIWZJSEQ-AWEZNQCLSA-N 422.445 0.740 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(-c2ccccc2)n1 465418324 SZQAQKPPHJIYQS-OAHLLOKOSA-N 416.445 1.210 30 20 HCED Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C#N 474210110 SFFQEKRCBPRNEB-UHFFFAOYSA-N 404.408 0.347 30 20 HCED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476315137 PDCSJPJQOUCGHH-ZWKOTPCHSA-N 418.519 0.978 30 20 HCED COc1ccc(CC(=O)N[C@@]2(C#N)CCOC2)cc1S(=O)(=O)N1CCOCC1 478655169 RGDGGJHACVTZPU-GOSISDBHSA-N 409.464 0.057 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)N(CCC#N)CCN2CCOCC2)ccc1F 486387606 LYGKJNSRDHRPPZ-UHFFFAOYSA-N 413.475 0.814 30 20 HCED CCOC(=O)c1cnn(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1C#N 499484628 MURPHRCGRFUXNB-CQSZACIVSA-N 408.480 0.890 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 505037235 AYOHHZLUAGJZOV-XJKSGUPXSA-N 418.479 0.173 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 510534518 QRAPSUFCTQHJPD-LIRRHRJNSA-N 420.491 0.744 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(OC)c2)c1=O 514306233 JZECDIKQHOIHAN-UHFFFAOYSA-N 413.499 0.760 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cc1 518086209 WIVHUHVYJOPOPH-UHFFFAOYSA-N 422.441 0.987 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(Cl)c2)c1=O 533689549 ISRWTSLTFMVIMM-UHFFFAOYSA-N 407.854 0.601 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C 534427536 OBVBFWLHFXGNMM-UHFFFAOYSA-N 407.442 0.771 30 20 HCED CCCN(C(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)[C@H]1CCS(=O)(=O)C1 536344104 RZHVTNFONQLWHX-KBPBESRZSA-N 410.544 0.542 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)O1 540365183 IOCWYWWZVBOAFP-FZMZJTMJSA-N 410.377 0.850 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 551429247 FLNVPNVJZNFSAQ-OAHLLOKOSA-N 414.443 0.975 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1 553436582 FPDSAEDBWJMLAD-KUHUBIRLSA-N 420.491 0.744 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 553712267 WKGXETCZISHURD-FUHWJXTLSA-N 413.478 0.007 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1c(F)cccc1F 564488745 OMTACBXKHSDQBC-UHFFFAOYSA-N 416.450 0.318 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 565664878 UHRFXWMPRSRTCI-UHFFFAOYSA-N 401.378 0.552 30 20 HCED CCn1cc(CN(CCO)C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 568938417 AKRXXAIAUVVZLT-UHFFFAOYSA-N 408.422 0.315 30 20 HCED COCC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 571322519 DNZXPGNGKVNIFB-LJQANCHMSA-N 422.507 0.588 30 20 HCED N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 579187940 YHTQZLLSZRQXHY-UHFFFAOYSA-N 419.463 0.337 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 581510130 GJUSEBNFVWMCDL-ZWKOTPCHSA-N 423.473 0.021 30 20 HCED CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC1CCN(CC#N)CC1 588124889 NSQVGOVYJOUEDJ-FQEVSTJZSA-N 412.538 0.999 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3cncc(C#N)c3)cn2)C[C@@H](C)O1 589553592 OMDCOSJCQMWLRB-CHWSQXEVSA-N 404.452 0.586 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2F)c1=O 603796557 IJGVEXUYKOTFQQ-UHFFFAOYSA-N 407.442 0.864 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 608884384 ZCOGPVCZOABSRY-UHFFFAOYSA-N 421.482 0.727 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccccc2OC)CC1 619707253 BWDLJYUNAYUFRM-UHFFFAOYSA-N 410.496 0.560 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)c1F 669653051 YQKGIIQEMXLYCC-UHFFFAOYSA-N 417.462 0.661 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2N2CCCC2)CC1 671344905 FSMKPLPEFJAWLH-UHFFFAOYSA-N 413.522 0.349 30 20 HCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)C1=O 725769758 YFRJXKMAKQXAJD-QFBILLFUSA-N 402.476 0.934 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)CC1 729281663 LUXUVDHJKUSSKH-IBGZPJMESA-N 410.518 0.886 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cocn2)c1 730916698 AKRHEAOSPQHTKP-RCCKNPSSSA-N 405.436 0.742 30 20 HCED C[C@H](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742464059 YPEDIUHWISBRKC-LLVKDONJSA-N 422.488 0.790 30 20 HCED CCOC(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742467419 CVCXCZKNOKTMSW-CYBMUJFWSA-N 408.480 0.804 30 20 HCED COCCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 743403094 GGSUQNOTLXAAIF-SILNSSARSA-N 410.496 0.933 30 20 HCED Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)OCCn3ncc(C#N)c3N)cc12 744110721 DYBXUEGCKUMFKJ-JTQLQIEISA-N 401.452 0.955 30 20 HCED Cc1nncn1CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 746604645 OJLGFFIJVWRTAI-HNNXBMFYSA-N 404.496 0.856 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)CC1 749666280 GXYTVUVFEMMOQY-UHFFFAOYSA-N 415.450 0.028 30 20 HCED CCS(=O)(=O)NCCCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 753370559 SXBAEVGPPDXJAF-OAHLLOKOSA-N 422.463 0.636 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(OC)cc2)c1=O 758071786 OCNSMYPHXFGJSH-UHFFFAOYSA-N 419.462 0.964 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 761028389 GSOUHWNYILDKIV-HXUWFJFHSA-N 420.535 0.348 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(CN3C(=O)NC(C)(C)C3=O)no2)c1 763307413 CCALZPICMMVRNJ-UHFFFAOYSA-N 403.420 0.479 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)OC[C@@H]2C1 764144820 JUMFLIVSDYONGE-ZFWWWQNUSA-N 420.491 0.947 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H](CCO)C2CC2)CC1 771796584 RFKSZIWKHSQOTL-KRWDZBQOSA-N 406.508 0.142 30 20 HCED C[C@@H]1CCC[C@@H](N2CCC(=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 771890361 GKWHQVNSQPNIEK-UKRRQHHQSA-N 411.528 0.393 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 783347213 HQQJQYSFKZGOAM-UHFFFAOYSA-N 404.452 0.331 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 783547069 VIOKSEZRVPHEDD-AWEZNQCLSA-N 418.512 0.943 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 787774431 INWQPXZDNRUDJG-UHFFFAOYSA-N 423.433 0.738 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1 789793369 IITQHCSCIFHJNJ-UHFFFAOYSA-N 422.445 0.555 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1 790812511 AYIMOXTXSYFESL-UHFFFAOYSA-N 401.510 0.263 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccnc(C#N)c2)C1=O 795967440 XMDOPYTYZFMQTI-HXUWFJFHSA-N 407.386 0.999 30 20 HCED COC(=O)c1cc(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc(C(=O)OC)c1 798744559 URDCFIIPCGQVRQ-JTQLQIEISA-N 415.362 0.466 30 20 HCED C=CCN1CC[C@@H](N(C)C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1=O 799176481 VDODIXPUBTYSLK-TZIWHRDSSA-N 402.539 0.897 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C#N)(c3ccccn3)CC2)c1=O 799944144 ZJUUIHHSYMUNIY-UHFFFAOYSA-N 408.462 0.454 30 20 HCED C[C@H](CC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 804395026 XQCXNKZUTHSQJM-BMFZPTHFSA-N 407.492 0.910 30 20 HCED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 810351945 BJDDGSDHBCOHQT-ZDUSSCGKSA-N 411.422 0.815 30 20 HCED C#CCN(C)CCCNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 818608975 BXCXDVFEJRBWOT-UHFFFAOYSA-N 407.536 0.955 30 20 HCED C/N=C(/NCCNS(=O)(=O)c1ccc(Cl)cc1C)NCCN1CCOCC1 849050645 BOGXYIHXIKSOAW-UHFFFAOYSA-N 417.963 0.424 30 20 HCED C#CCNC(=O)[C@H](C)SCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 862055385 AOOVPSUOHJTLGU-HNNXBMFYSA-N 412.533 0.957 30 20 HCED CN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 918241792 NJRRTJVRMQQIQB-XLNRJJMWSA-N 421.523 0.648 30 20 HCED CC(=O)NCC(=O)NCC(=O)O[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 919507514 NSVLAMXXTJCCPB-OAHLLOKOSA-N 402.451 0.734 30 20 HCED CS(=O)(=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 920591691 HFETZCRBKUMOMM-UHFFFAOYSA-N 422.419 0.043 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1142020018 VMLVRJHYUOVPTM-UHFFFAOYSA-N 409.512 0.595 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2=O)cc1 1318541167 OBUIIRWLLAXGSO-RBUKOAKNSA-N 411.506 0.434 30 20 HCED N#CCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)cc1 1321454674 UCMMTSYOAYNQOS-UHFFFAOYSA-N 420.491 0.976 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1337420688 QNBNGSTXTCJLHE-VFNWGFHPSA-N 405.543 0.865 30 20 HCED CC(C)CNC(=O)C1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 1355326155 HMCKULVYCDDYGB-UHFFFAOYSA-N 406.508 0.926 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)C[C@H](C)O1 1441269908 PNLJPZCLQYHLOX-KBPBESRZSA-N 410.471 0.809 30 20 HCED CN1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1443497810 UGKUINFDXXCQSB-GOSISDBHSA-N 424.505 0.423 30 20 HCED CO[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1504051329 IOEQGUWNNJJBRK-XYPHTWIQSA-N 413.475 0.428 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCNC(=O)c2cccs2)CCO1 1505322617 RMUPCPVUQAKWAJ-CYBMUJFWSA-N 410.463 0.955 30 20 HCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1517583026 OYAVDEQALQOTAB-UHFFFAOYSA-N 420.495 0.346 30 20 HCED Cc1ccc(Br)cc1NC(=O)CNC(=O)Cn1cc(C#N)c(O)nc1=O 1542702605 JWRCJQSDHMIAOZ-UHFFFAOYSA-N 420.223 0.646 30 20 HCED COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1555529400 OIZQUEYAPIRYFS-QGZVFWFLSA-N 402.503 0.447 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCO1 1561222909 YUYVWDDETHHGNC-SJORKVTESA-N 409.464 0.578 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1 1632890804 CKIOUDBWFKNGTH-UHFFFAOYSA-N 403.382 0.610 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(CC(N)=O)CC3)CC2=O)cc1Cl 1642806093 ZIQNVXZEIWLRIL-ZDUSSCGKSA-N 403.870 0.630 30 20 HCED Cn1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)n1 1696862670 VHUAGLGKSMQSSH-HNNXBMFYSA-N 407.438 0.630 30 20 HCED COCCN(CCC#N)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1712459327 JTHDLJWWRBSRRP-UHFFFAOYSA-N 411.528 0.537 30 20 HCED N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCS(=O)(=O)C1 1731189665 WOAFUGWWOQUMOJ-MRXNPFEDSA-N 420.539 0.965 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCOC[C@H]2C1 1740735959 CEVRRVNHAPKELD-CYBMUJFWSA-N 413.320 0.846 30 20 HCED C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC(=O)N1C 1743244549 JKJDAUOWKCYIKL-HNNXBMFYSA-N 423.477 0.342 30 20 HCED CC(C)N1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1761182639 ZLBYCRBVOGFGDO-CVEARBPZSA-N 417.514 0.193 30 20 HCED CC[S@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766755995 CRXLOMGDASGNIA-OFJJUDJNSA-N 419.555 0.346 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1767827754 OFLQNGRZALHBCE-UHFFFAOYSA-N 410.482 0.756 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCC4=O)C2)C1 1777927377 HIBOPZAAFFANNI-QFIPXVFZSA-N 410.426 0.737 30 20 HCED CC[S@@](=O)CCC(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1778820078 CCYCAPWYCFFHFC-BAKNHXSLSA-N 412.556 0.447 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1778877870 DDPBILJUKLFVFR-QRWLVFNGSA-N 404.467 0.137 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2)C1 1778970729 DNJXYXNZAXEMGB-FVJLSDCUSA-N 410.511 0.977 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1ccnc1 1779015047 OVIGJRHZIOTEKX-ALQCXSEESA-N 402.499 0.746 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018561 AFGSJBRNCRWRHM-AAOPIFSGSA-N 406.527 0.861 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C)nc3OC)C2)C1 1779737795 FIGHMPMOCADPLS-IIBYNOLFSA-N 401.463 0.880 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781105358 CJLUCHTVYCZUQM-HXUWFJFHSA-N 422.595 0.516 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)Cc1ccccc1)C2 1782015734 XHGXVGGYHTUQIF-JBYIUTFZSA-N 414.458 0.192 30 20 HCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#Cc1ccccc1)C2)n1cnnn1 1782598971 BEDSYCDDRUAJCY-LRXVAGHRSA-N 422.489 0.800 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1782665862 CAJOFLBISLFVHH-AOMKIAJQSA-N 410.474 0.443 30 20 HCED C[C@@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccccc2C#N)C1 1783133716 BOAZNFUNFKOWQW-FQELHTAISA-N 401.463 0.832 30 20 HCED C=C(C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C(F)(F)F 1783207365 HCEQJSWOHGUZEW-MLGOLLRUSA-N 406.405 0.642 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1783893232 KMIXMCWNVMKECE-VLIAUNLRSA-N 418.519 0.488 30 20 HCED O=C1C[C@@H](C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)CCN1 1784036835 VXMSGBIGGKPUDB-JTSKRJEESA-N 417.506 0.041 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OC)nn3)C[C@@H]21 1784503766 FPYWVSJBRFQSOC-AESZEHBQSA-N 404.467 0.670 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSCC(=O)OC)[C@H]2C1 1784511121 SCIIBHBFJUZXKY-VGWMRTNUSA-N 414.524 0.463 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784622812 TVXAETXHYIXPHT-FNEOHHHZSA-N 414.462 0.829 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nc(C)no3)[C@H]2C1 1787052921 QMBBNPIQJDYWNX-YHUYYLMFSA-N 406.483 0.473 30 20 HCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(Cl)c4nncn4c3)[C@H]2C1 1788558685 YZDCGONHFCDNQG-WHOFXGATSA-N 402.842 0.890 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4ccc5nncn5c4)C[C@@H]32)c1 1789344538 BLSOGJBAYMYZAJ-BQFCYCMXSA-N 419.445 0.836 30 20 HCED Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]2C1 1791075906 BKVYUHJKOVUGGI-BQFCYCMXSA-N 400.431 0.442 30 20 HCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(F)(F)C(F)(F)C(=O)O)C1 1793727480 NDBUBBDMPUYUTD-ZSBIGDGJSA-N 408.348 0.897 30 20 HCED C=CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1794072928 QNDYRMSZVKSPJN-MUJYYYPQSA-N 415.581 0.274 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCN2CCOCC2)c1 1795469533 OSJOILXUHXYDTQ-CEQLMSFQSA-N 412.490 0.484 30 20 HCED Cc1cnn(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)c1 1795887763 JTEKHKSETVEYHV-OPMZPASUSA-N 423.473 0.732 30 20 HCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C2 1796043325 ZBOLWDGXJBQCKG-QDMKHBRRSA-N 417.470 0.711 30 20 HCED COc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2cnc[nH]2)c(C#N)c1 1796332943 QLTPUXWCIZDVHQ-FAQVEIGNSA-N 423.473 0.665 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780999 MATUIRMQKTUVFC-DMUMMCEESA-N 419.522 0.189 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccnc(OC)c1 1798123116 ZBGHOKNCHJEOGN-KYHPRHEASA-N 403.479 0.867 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(C#N)cc1)C2 1798265382 DJCIIAUUDMFGGT-DFGXFYAUSA-N 400.435 0.875 30 20 HCED CC(=O)N[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)c1ccc(F)cc1 1799820520 IQSAIKFTUCTCBK-CLWJZODNSA-N 415.421 0.729 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CCC2 1799963514 DRSZGAPPVVGBJS-DACLVMHWSA-N 402.495 0.606 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C12CC(C(=O)OC)(C1)C2 1800703672 OSMYHCRPHAIUIK-SODFYQOFSA-N 420.506 0.492 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc3c1NC(=O)C3=O)C2 1800995719 ZPKWHPXIZZLJDC-ZSBFGKGUSA-N 409.442 0.828 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1CCN(C(=O)Cn2ccncc2=O)[C@H]1c1cccnc1 1803455133 VVPBESGNEYWADF-AVRDEDQJSA-N 405.458 0.758 30 20 HCED O=C(C#Cc1ccccc1)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806584206 FSMYYQCCBCHUJX-UHFFFAOYSA-N 422.485 0.821 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@H](O)CN3)[C@H]2c2cccnc2)cc1 1807703987 HSPRTWAARJXZFX-XSDIEEQYSA-N 419.485 0.996 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)COc2cccnc2)[C@@H]1c1cccnc1 1812873226 AOKJVSRVOVUWNH-HRAATJIYSA-N 408.414 0.649 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813338339 RUWMXCRTXNJRGN-POAQFYNOSA-N 408.462 0.191 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)CCS(C)(=O)=O)[nH]n1 1815204477 GKUQSHYZOMQXGM-HIFRSBDPSA-N 410.496 0.875 30 20 HCED C[C@H](C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1)N1CCN(C)CC1 1820789733 LCGSVWMAATVECW-ZBFHGGJFSA-N 416.482 0.126 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CCc3ccc(O)nn3)sc2C1 1824491700 KZPRSKXVNLSMSN-LLVKDONJSA-N 415.431 0.272 30 20 HCED COCCn1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825665664 TULQQFQHQXXNGU-NSHDSACASA-N 417.447 0.300 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC([C@H]2CCCCN2C(=O)Cn2cnnn2)CC1 1827197482 SDERKCIJLDITAY-QGZVFWFLSA-N 418.498 0.802 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnn4)C3)C2)C1 1829673279 IJEJGVLEYBPQTP-HXUWFJFHSA-N 402.451 0.278 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1829849910 YLDMIKFWXHVEHI-VQIMIIECSA-N 413.540 0.277 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1830325661 YINRVUZCTLBGML-MDZRGWNJSA-N 415.556 0.312 30 20 HCED COCCn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)n1 1831215762 UFSNTWKHFDXZKJ-NRFANRHFSA-N 416.478 0.013 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1831420687 ZYXQGCNVNPPKNY-OXJNMPFZSA-N 406.483 0.390 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)nn3C)C2)C1 1831425870 GGRPZUBOLLBHLY-IIBYNOLFSA-N 420.510 0.644 30 20 HCED CC(=O)NC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831483780 ODPMVAOGZRFSFX-KXBFYZLASA-N 415.556 0.312 30 20 HCED CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)CC1 1832412308 JYELJVVKPXALNZ-OAQYLSRUSA-N 406.527 0.867 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1833467232 ODJQMFPALJJXQE-KRWDZBQOSA-N 414.506 0.544 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833518779 NVIBNWKZUFXGRA-CVEARBPZSA-N 406.527 0.108 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1834763799 ZCJMYLKCFGQMSH-KRWDZBQOSA-N 423.267 0.828 30 20 HCED CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1834864610 OXFJANIEGBHJJY-QFIPXVFZSA-N 413.474 0.926 30 20 HCED CN(C)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1835388022 GUKIXMSFMOBRTJ-NRFANRHFSA-N 400.479 0.580 30 20 HCED COc1nccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1F 1836239188 AXALEJYSZOHTBG-SGTLLEGYSA-N 413.471 0.618 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837310987 WOTRXJYEQGJTCP-YLJYHZDGSA-N 403.483 0.503 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCC#C[Si](C)(C)C)CCO2)C1 1837432629 LPZQGMJBPAASQL-FXAWDEMLSA-N 410.587 0.875 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(CC)s3)CCO2)C1 1837718402 PSVAOXUMNGXFSV-MGPUTAFESA-N 421.519 0.814 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnncc3C(=O)O)CCO2)C1 1837949618 UUWWAMDFUWHJQV-JLTOFOAXSA-N 418.450 0.457 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c(O)n1 1838669037 CJEJDMKDVPMOPU-HXUWFJFHSA-N 400.435 0.469 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839529967 SIHUHFSUGJAZQF-FQEVSTJZSA-N 401.467 0.449 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839890633 KDVQEMNKMAQGKK-MRXNPFEDSA-N 424.466 0.089 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1)C(F)(F)F 1839892502 QHSQGQMUPBAPNR-INIZCTEOSA-N 418.372 0.495 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CN4CCCCC4=O)CCO3)C2)C1 1840103609 ISUHSRZOPMPQBV-NRFANRHFSA-N 405.495 0.422 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840161812 BLRFPZQGCYPXQP-BDJLRTHQSA-N 402.904 0.462 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840174539 KMASDYLNKBLVGM-LLGFUMIMSA-N 405.495 0.420 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840421503 UXVXOYHLMBEXNX-YLJYHZDGSA-N 403.483 0.489 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566569 DYKIUXAYWPXXJI-FXAWDEMLSA-N 412.531 0.584 30 20 HCED Cc1noc(C)c1CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813135 GRLVCSVIZZHHFF-NRFANRHFSA-N 416.478 0.984 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)C1 1840844644 GWCXSHUMJIIGSS-DYESRHJHSA-N 401.463 0.719 30 20 HCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC4(CCCN4C(=O)CC#N)C3)=NO2)C1 1842623683 WHZMZBWNSGZXKT-UHFFFAOYSA-N 417.466 0.869 30 20 HCED Cc1cc2nnc(C(=O)N3CC4(CCCN4C(=O)C(C)(C)NCCC#N)C3)c(C)n2n1 1842919873 KYJUFSJNPFDPJN-UHFFFAOYSA-N 424.509 0.840 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(C)(=O)=O)cn1 1847801491 XLGAYSSRYAWMCR-JQFCIGGWSA-N 405.476 0.339 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1C 30618110 UHKLODCCMQDKHQ-UHFFFAOYSA-N 417.491 0.083 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCCN(C(=O)c2cccc(N)c2)CC1 409505070 WWCZQIZYRZGFDI-UHFFFAOYSA-N 409.512 0.524 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)CCO1 410399736 GFRAVIDCXYDZEC-DZGCQCFKSA-N 418.313 0.659 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 439552723 VWQATJFDSWXWRZ-CYBMUJFWSA-N 424.479 0.463 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)C1=O 440270401 JUFOFSVILPULPV-INIZCTEOSA-N 403.435 0.812 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCSC[C@H]2CO)n1 440666983 JBCCYFDJKHMWNU-CYBMUJFWSA-N 405.867 1.272 30 20 HCED Cc1cc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)nn1CCC#N 444295117 ZXCYLJAIQHTSTM-ZBFHGGJFSA-N 421.454 1.007 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(O)Cc2ccc(OC)c(OC)c2)C1=O 461225521 WBFOZHPGNCHZFF-FQEVSTJZSA-N 419.434 0.090 30 20 HCED C[C@@H](C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 465467607 APYDNPFRSTWUQR-QXSJWSMHSA-N 410.478 0.949 30 20 HCED N#Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 472755544 SUWPTCIJPFDMGI-QGZVFWFLSA-N 400.460 0.439 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 474201538 OSXXMKAVBUPODK-UHFFFAOYSA-N 401.510 0.619 30 20 HCED CN(CC(=O)N1CCCN(C(=O)C2CC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 474216573 PFAQHFOLSRNSEP-UHFFFAOYSA-N 404.492 0.650 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1Cc2ccccc2C1 477549826 MEKUUBRODOWCKE-AWEZNQCLSA-N 412.471 0.884 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1 486647905 CMPIYAQBTLRYMV-INIZCTEOSA-N 415.537 0.928 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 486811068 TYCXDAOTZAABAS-CWTRNNRKSA-N 413.459 0.087 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 487331443 FRZXHTOFUPLSJE-HZPDHXFCSA-N 411.480 0.347 30 20 HCED CC(C)Cn1c(CCC(N)=O)nnc1S(=O)(=O)CC(=O)Nc1ccc(C#N)cc1 488487690 FCXJRFHGSRYRKT-UHFFFAOYSA-N 418.479 0.636 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)c(Cl)c1 490389584 JXRVPOSZRWFQPA-UHFFFAOYSA-N 413.869 0.879 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1 507024360 OQIVJGILHRYSEE-JTQLQIEISA-N 424.405 0.213 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](CC)C(=O)OC)CC1 507475352 GUZHTPPUYFCVNT-MRXNPFEDSA-N 402.451 0.991 30 20 HCED COC(=O)Cn1cc(CNC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nn1 514031989 ALLDLQTZKOEYAH-BUXKBTBVSA-N 409.406 0.006 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514032765 LCOABNYUPJPUGT-LPMFXHHGSA-N 417.491 0.465 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc1 540289391 AVDIFTGJRWKEQH-UHFFFAOYSA-N 401.423 0.141 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)C2)nn1 545854381 QYXCVBWQAJOGDN-ZDUSSCGKSA-N 414.426 0.286 30 20 HCED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 545856977 XJTYTNSEESXOLR-INIZCTEOSA-N 400.357 0.621 30 20 HCED CC(=O)NCCN(C(=O)C(=O)Nc1ccc(C#N)cn1)[C@H](C)C(=O)OC(C)(C)C 551158274 IHZKTPOOOJSHEC-GFCCVEGCSA-N 403.439 0.587 30 20 HCED COCCOCCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 556343043 FANNVCXGNDIFIX-UHFFFAOYSA-N 411.462 0.534 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCC1(NS(=O)(=O)N(C)[C@@H](C)CC#N)CCC1 557345595 QIGQHNJOTUDMAA-KBPBESRZSA-N 420.561 0.046 30 20 HCED CCCCNC(=O)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 558510058 PCXQRDXTDWJOAH-MRXNPFEDSA-N 406.508 0.991 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 558989008 GVVGSNHASAMUTL-OAHLLOKOSA-N 410.544 0.997 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 568454903 KUQDHHTTZFXWJN-ZDUSSCGKSA-N 415.855 0.280 30 20 HCED CCN1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1=O 573160764 WQOWUCBXPLINIR-KRWDZBQOSA-N 411.462 0.251 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)C1=O 576506552 UZFFBNJOBPBQEB-HCXYKTFWSA-N 415.490 0.973 30 20 HCED N#Cc1ncn(CC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)n1 578535333 DLRYNKKKQFTZOU-UHFFFAOYSA-N 403.251 0.551 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1cccc(F)c1 581459850 NOJGZIMIYLOXSZ-CYBMUJFWSA-N 418.454 0.503 30 20 HCED CC(C)(C)OC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 589441036 LJRRNCCHJDTQSR-OAHLLOKOSA-N 409.464 0.406 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590054768 WCUWTMYGHXTDIL-WMLDXEAASA-N 403.439 0.736 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)o1 609671729 DKHPPUVVDRBIQE-ROUUACIJSA-N 402.499 0.034 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)CSC)cc1 610031945 JVDAONRMMIUMTO-KRWDZBQOSA-N 415.537 0.662 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 610161456 SRHGNKYHDASXBE-UHFFFAOYSA-N 418.225 0.467 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 610808279 SCOYMVJKVXFFKN-FUHWJXTLSA-N 419.551 0.463 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 611365052 AHCAFIQEBAHOOO-UHFFFAOYSA-N 409.393 0.331 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)CC)CC2)c1 614605440 LNYRGVVLKQWQNE-UHFFFAOYSA-N 415.537 0.695 30 20 HCED O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCc1ccc(C(=O)NO)cc1 671998593 RNDSVTJCEJUVJW-UHFFFAOYSA-N 410.430 0.979 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 728573268 VVBMRFFGXHACET-UHFFFAOYSA-N 404.467 0.018 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 732467927 YWXRFLNJWADWAM-VXPUYCOJSA-N 423.477 0.688 30 20 HCED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1cccc(Cl)c1 732909912 IZGDVVRYUGAGBY-AWEZNQCLSA-N 421.866 0.809 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 743962786 UANWXVHGASEDMC-AWEZNQCLSA-N 413.409 0.822 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1 746012606 AESMVUXSPYLQCB-IBGZPJMESA-N 418.475 0.048 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)CC1 747854774 QDANUFNFKOKDJS-UHFFFAOYSA-N 406.508 0.444 30 20 HCED C=CCNC(=O)COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 748125759 JOQQEHYMYLDNGQ-JSGCOSHPSA-N 402.856 0.309 30 20 HCED CCN(C(=O)CON=CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 754277677 NQKXSICQQFWSCH-GFCCVEGCSA-N 403.407 0.941 30 20 HCED Cn1ncc2c(O)nc(CCC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nc21 757596021 UQCYGROGBWUKTL-DGCLKSJQSA-N 415.454 0.877 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(F)c2F)c1=O 758077734 SNMUAVXCTRCONR-UHFFFAOYSA-N 417.437 0.477 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 758079262 IFTHKKZYQDTVLQ-UHFFFAOYSA-N 415.421 0.183 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 758415811 OGHHXPANJHVIPI-GOSISDBHSA-N 411.487 0.893 30 20 HCED C=CCC[C@@H](O)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 760869678 VSPGVBGXLIWXTK-OAHLLOKOSA-N 403.545 0.880 30 20 HCED C[C@H]1CN=C(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)S1 765658571 RJBWQIZFACDIHX-UONOGXRCSA-N 421.548 0.861 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCCn1cccn1 767632153 UOCCOAXIOUFFPT-CQSZACIVSA-N 419.463 0.171 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 770674642 JUCBCNJURNFMCE-INIZCTEOSA-N 405.480 0.294 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)c1ccc(N2CCOCC2)nc1)c1cc[nH]n1 772550637 YQDQFZDTFICPAH-UHFFFAOYSA-N 416.438 0.588 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)s1 772740436 JJCIFSFXKIWMSK-NXVVXOECSA-N 412.493 0.368 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1 777297691 TXIJTVLWVFACAT-CQSZACIVSA-N 404.423 0.983 30 20 HCED CC(=O)Nc1nnc(S(=O)(=O)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)s1 777336476 UMLAGKLIHUYYPK-ZDUSSCGKSA-N 420.476 0.842 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cc(C)cn2)c(F)c1)[C@H]1CCS(=O)(=O)C1 783479367 JNGCOLPDEKMPLU-HNNXBMFYSA-N 418.450 0.907 30 20 HCED COC[C@@H](C#N)OC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 784933740 IQXSXPPLTYJTQD-ZYHUDNBSSA-N 407.242 0.170 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)s1 787358474 XXDVDLFAVPNGES-UHFFFAOYSA-N 413.502 0.507 30 20 HCED C#CCN1CCN(C(=O)C23CCC(C(=O)N4CCN(CC#C)CC4)(CC2)CC3)CC1 789948781 ANIMFHDALVDJCW-UHFFFAOYSA-N 410.562 0.882 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2cc(OC)ccn2)CC1)c1cc[nH]n1 789976974 VBVCOMPGXUIDEW-UHFFFAOYSA-N 416.438 0.446 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793520761 LXNFUTRWRRNLBL-UHFFFAOYSA-N 421.519 0.999 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 796180282 ORSAGMWBPDQEJF-KRWDZBQOSA-N 403.504 0.231 30 20 HCED Cc1nn(C)c(N2CCN(Cc3c(C)nn(CCS(C)(=O)=O)c3C)CC2)c1C#N 797987176 DAKVEWLTSKGABM-UHFFFAOYSA-N 419.555 0.780 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800926524 XWVYNJLVSOKFLU-CQSZACIVSA-N 415.541 0.659 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 807357029 JKUYAFUMVXAGNM-VFGMZZLHSA-N 413.434 0.895 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 807357332 LVHZLUPJSBCHJX-RNODOKPDSA-N 416.409 0.755 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1)[C@H]1CCCO1 809307119 YXDFVMHQDBIFGY-RTBURBONSA-N 418.538 0.076 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 809307568 FTACTTZSGOJKPL-SJORKVTESA-N 403.866 0.921 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(F)ccc2OC)c1=O 812274181 XGIHQVPJLKHTBO-UHFFFAOYSA-N 419.478 0.732 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC2)CC1 812378203 GGOUWXXJALVTCR-HNNXBMFYSA-N 402.499 0.419 30 20 HCED CON(C)C(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 812713777 XUPYZUVJSJEWDO-CYBMUJFWSA-N 408.480 0.483 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 831543647 KPHSTIYCNAGNRX-CQSZACIVSA-N 405.476 0.967 30 20 HCED CN1CCN(c2ccccc2NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)CC1 915719449 GOLQRTJKHIFHCY-UHFFFAOYSA-N 410.482 0.303 30 20 HCED C=CCN(C(=O)c1nc2ncc(Br)cn2n1)[C@H]1CCS(=O)(=O)C1 1115890510 LVOOUMDKOXPQHY-JTQLQIEISA-N 400.258 0.702 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116377745 NCUYKOCQFIXXJY-UHFFFAOYSA-N 417.462 0.486 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCN1CCOCC1 1297289871 LIVNKVKAILENJV-SFHVURJKSA-N 403.531 0.713 30 20 HCED CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1313556743 WYTDERBTLZFFAI-KDOFPFPSSA-N 408.528 0.789 30 20 HCED CO[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1315161816 JYSYBYILIAVSIN-ZIAGYGMSSA-N 409.450 0.956 30 20 HCED Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1CCO[C@@H]1CCCCO1 1319522063 YXGZAYOOVKPMKT-KDDVOAFDSA-N 417.466 0.991 30 20 HCED CS(=O)(=O)C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccccc1 1454632247 KGHPEJPOMXNXRR-OAHLLOKOSA-N 403.464 0.885 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1503773518 SDERCHZNIWQLLA-KRWDZBQOSA-N 423.477 0.294 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1546578847 ZVIRIMCRSJDMRT-MRXNPFEDSA-N 416.507 0.966 30 20 HCED N#Cc1cn(CC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)c(=O)nc1O 1587049239 PEOMMXHQTMYSAD-CYBMUJFWSA-N 421.335 0.761 30 20 HCED CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1617419114 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C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)CC[C@@H](N)C(N)=O)C1 1842946099 VRNLLJCNCADJGW-MRXNPFEDSA-N 406.603 0.834 30 20 HCED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)CN1CC(=O)NC1=O)C2)c1ccccc1 1844334293 QNFPSKJQFNKKNO-SFHVURJKSA-N 422.485 0.939 30 20 HCED CC(=O)N[C@@H](C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)c1cccc(Cl)c1 1846196262 DSABGOKAQKBKFY-GOSISDBHSA-N 417.849 0.809 30 20 HCED N#Cc1cccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H](O)N2CCOCC2)c1 1847470048 TVSLZFLINCXOQK-IRFCIJBXSA-N 412.490 0.343 30 20 HCED Cn1cnnc1SCC(=O)Nc1cccc(C(=O)OCC(=O)NCCC#N)c1 8804183 MZRZCHJYVTYSTM-UHFFFAOYSA-N 402.436 0.733 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 32832338 UJQCCJMLHUBQMH-IBGZPJMESA-N 403.508 0.919 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCc2ccc(OCCN3CCCC3)cc2)CCO1 409490263 FOBQJKBLZZPJSX-LJQANCHMSA-N 408.524 0.762 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 426560661 RDEJEOOCQRAHDD-SJLPKXTDSA-N 410.478 1.266 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)COC)cc1 437394271 SBSVXJRDJWZDEY-KGLIPLIRSA-N 410.496 0.946 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OCCC(=O)OC)cc2)C1=O 440260561 OCVJKKNWEKLPSS-INIZCTEOSA-N 403.435 0.812 30 20 HCED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 440620290 ZEERPZPDXGIVBE-UHFFFAOYSA-N 423.491 0.573 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 442916710 DBBSKHLZZJIJEE-UHFFFAOYSA-N 421.504 0.372 30 20 HCED COCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443026433 PIFBILSOQIFWDI-LLVKDONJSA-N 403.438 0.291 30 20 HCED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)ccn1 444499668 SHQANLATIONIMM-UHFFFAOYSA-N 420.473 0.938 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 463674597 LBWHEKYTBKFUHV-UHFFFAOYSA-N 406.508 0.742 30 20 HCED N#CCN1CCC(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 464972454 JAVBDWNUHLWXAT-UHFFFAOYSA-N 409.468 0.615 30 20 HCED C[C@H]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@H]1n1ccnc1 469537556 LKFIUYMYNYPRQN-MAUKXSAKSA-N 418.461 1.443 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N1CCCN(c2ccccc2C#N)CC1 474837222 QARHAURGSVTOHE-UHFFFAOYSA-N 408.528 0.612 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)cn1C 475061536 NUZMPGHGVUTUKM-UHFFFAOYSA-N 402.480 0.816 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)CC)cc1 475440137 USASAVPESGCLKN-CYBMUJFWSA-N 410.496 0.415 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 480473105 RMZLNNLBEVAQEL-UHFFFAOYSA-N 407.477 0.263 30 20 HCED CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)S(C)(=O)=O 480576544 KWHYRTHGGRCOOS-CYBMUJFWSA-N 416.525 0.013 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1C1CC1 480931809 QBRHFSRWNYHNLQ-UHFFFAOYSA-N 417.487 0.640 30 20 HCED COCCCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481509706 KRPKEUSLHSRLPD-HNNXBMFYSA-N 408.524 0.842 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 482564718 VVIWIDPULCTUTG-LBPRGKRZSA-N 416.528 0.907 30 20 HCED CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1=O 484379279 BKKGWOIFODBBAT-CQSZACIVSA-N 412.454 0.572 30 20 HCED N#Cc1ccc(N2CCC[C@H](N3CCN(C(=O)CN4CCOCC4)CC3)C2=O)cc1 485740664 AEXBMMJRVMENNE-FQEVSTJZSA-N 411.506 0.530 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1 508079126 XJRYKLGIHDYBAG-UHFFFAOYSA-N 400.526 0.547 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 508851231 YGUHLGKUUAPZIA-HZPDHXFCSA-N 412.560 0.623 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 510272669 LIJCULLOOJFWSS-HNNXBMFYSA-N 409.487 0.810 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc(CC)n2)c1=O 522276406 ZYKBXSNDKIFWLN-UHFFFAOYSA-N 418.544 0.747 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCOCC 526038128 HPAOMPQEBBEFDD-UHFFFAOYSA-N 417.535 0.753 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2nccn2C)CC1 530299042 ZEUQAMDFNLGMSG-AWEZNQCLSA-N 416.507 0.744 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc3c(cnn3C(C)C)c2)CC1 531398765 JFUFJZLVPSVOTP-UHFFFAOYSA-N 413.482 0.397 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1Cc1ccon1 531938936 XUCNAFMEBIGQDP-UHFFFAOYSA-N 402.457 0.265 30 20 HCED CCn1cc(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 533886353 NGCBMVCRDBJENY-UHFFFAOYSA-N 401.448 0.490 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 538542846 HCCRWIMSKMCIGO-UHFFFAOYSA-N 402.495 0.998 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 549340902 WCWGWHWHECVFLE-QGZVFWFLSA-N 408.462 1.085 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC1CCN(C2CCCC2)CC1 556023466 SQAOOTIZTNUAEE-UHFFFAOYSA-N 401.515 0.778 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccc(Br)cc1C#N)C2 558114467 FIVHOLJRJLCDBD-UHFFFAOYSA-N 419.283 0.783 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](CO)CC2)CC1 559455787 GSCQMSSNMNVXKN-QGZVFWFLSA-N 420.535 0.486 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 567313572 BNKWXKWRYZYTBM-HNNXBMFYSA-N 404.496 0.874 30 20 HCED Cc1cccc(S(=O)(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)c1C#N 568640441 VTGUSRUBNXQBMF-AWEZNQCLSA-N 400.526 0.806 30 20 HCED CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 573757692 SOBNRVMXAMYCGX-KRWDZBQOSA-N 409.450 0.347 30 20 HCED N#Cc1cncc(S(=O)(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c1 577113413 RXZMSVDHFOQQRW-GOSISDBHSA-N 414.443 0.768 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCCN(C)CCN(C)C 577299133 JZOGIBDFUWSFGF-INIZCTEOSA-N 409.556 0.567 30 20 HCED C[C@@H](CN1CCOCC1)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 581409507 XBGJWRBBTWOJQQ-MAUKXSAKSA-N 413.478 0.942 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 582986064 DJWSRQIKDHXVCS-QGZVFWFLSA-N 422.493 0.121 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)c1C#N 587730107 LQFJXFPSGCHQAU-AWEZNQCLSA-N 405.462 0.998 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)C1=O 588790788 FATXUFHMSGSUKY-UHFFFAOYSA-N 408.436 0.899 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCOC[C@H]3CCCO3)CC2)cc1 603670234 YCXHKSZEDSULOA-QGZVFWFLSA-N 407.492 0.977 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1=O 610870074 OVFAQCQZSMNGOB-ADLMAVQZSA-N 403.826 0.987 30 20 HCED Cc1nc([C@@H]2COCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)no1 611533516 JUPBAICXPAEYGF-HNNXBMFYSA-N 401.427 0.268 30 20 HCED CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 611547755 SCWWYASRRPQVNU-SJORKVTESA-N 404.492 0.984 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 615253986 BGQUPFPZKOZDMY-UHFFFAOYSA-N 406.414 0.625 30 20 HCED C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CCC#N 728893587 LYMRTKCCWNRMAJ-CQSZACIVSA-N 409.464 0.625 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795506 KQONSAYCYOOQHM-UHFFFAOYSA-N 401.492 0.139 30 20 HCED N#C[C@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)C(=O)N1CCS(=O)(=O)CC1 732909379 ANAQUOTZLRZROW-MRXNPFEDSA-N 419.459 0.380 30 20 HCED N#C[C@H](C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCS(=O)(=O)CC1 732910008 IZEJDNFPXPXJDM-OAHLLOKOSA-N 417.403 0.360 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 742065632 NZNFCDYNVISBIX-KRWDZBQOSA-N 402.882 0.587 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 742072676 RRSYSUMZQCHLLT-GHNGSUTGSA-N 402.426 0.842 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1=O 743737407 GHDXBUNRBKWSKK-UHFFFAOYSA-N 411.418 0.435 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCCN1CCC(C(N)=O)CC1 743884390 NLEDUIYKHDUSRU-UHFFFAOYSA-N 418.469 0.870 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1 744037393 VEAKILSTWBHYDL-PKAMJGAUSA-N 412.446 0.831 30 20 HCED COCCN(CCC#N)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 744405136 CFZFTUROGOVKHE-LJQANCHMSA-N 403.439 0.355 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 747736315 JMRKUMBRWRQJPH-ROUUACIJSA-N 417.506 0.956 30 20 HCED C#CCNC(=O)C1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 747820408 UHEVYFWKKLZZIK-AWEZNQCLSA-N 414.462 0.956 30 20 HCED COc1ccc(-n2cc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)nn2)cc1 756022301 FVRZABOOYIWXBE-ZCXUNETKSA-N 411.422 0.602 30 20 HCED CC[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)N1CCOCC1 758574349 SZHWJXVDMJMRCQ-KKUMJFAQSA-N 409.487 0.682 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)CC1 761030729 LCJJVNLBOORUKL-CQSZACIVSA-N 410.496 0.116 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761044039 YVKBWPUGDDCLBZ-UHFFFAOYSA-N 412.443 0.597 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ncccc2C#N)c1C 766380942 YJCZQPFBVBIKCP-UHFFFAOYSA-N 416.463 0.337 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@]2(CCOC2)C1 771415005 BGTLXKLVZPCGLJ-AUUYWEPGSA-N 407.492 0.960 30 20 HCED COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)C1=O 771548121 UILDIQBNNFXBLD-IBGZPJMESA-N 407.390 0.876 30 20 HCED C[C@@H](CCS(C)(=O)=O)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 774823603 JKEQFCOLSWSASO-NEPJUHHUSA-N 402.494 0.870 30 20 HCED C[C@H](CC(=O)N1CC(n2cc([C@@H](C)O)nn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 779559987 YNYIDVMVKZNFDZ-VXGBXAGGSA-N 418.479 0.232 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 780069336 XHONURQHLWBNMO-ZDUSSCGKSA-N 417.447 0.406 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCC2(C(=O)OC)CCOCC2)ccc1F 781891372 BYOKSCGBEUDZPA-UHFFFAOYSA-N 414.455 0.990 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 782987253 NYGKMVYFFDIGKM-OAHLLOKOSA-N 403.478 0.432 30 20 HCED C=CCN1CC[C@@H](OC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 798568772 IVJSGCDRELPART-MRXNPFEDSA-N 409.464 0.596 30 20 HCED C#CCNc1nc(NCC(=O)N2CCCCC2)nc(NCC(=O)N2CCCCC2)n1 804348761 FEFSSAWSYOSSTJ-UHFFFAOYSA-N 414.514 0.766 30 20 HCED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cccc(C#N)n1 811251395 BHWCYYYUUHSHPG-NSHDSACASA-N 400.416 0.735 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 815912619 RZYCGRUWGMRADP-IXDOHACOSA-N 422.441 0.987 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3cccnc23)c1=O 818224914 KTLLPDOWUABIHK-UHFFFAOYSA-N 420.494 0.886 30 20 HCED COc1cc(C#N)ccc1OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 910849019 SGYGHILEVLJIBH-UHFFFAOYSA-N 415.427 0.907 30 20 HCED C#CCN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 918758260 HPVXIKVKGVWIKB-UHFFFAOYSA-N 420.491 0.773 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 918961803 MPCBNYNCJHZJDH-UHFFFAOYSA-N 410.448 0.927 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCc2c(C)nn(CCC#N)c2C)CC1 919252271 SRQNSWUTLOEFMH-MRXNPFEDSA-N 403.483 0.969 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)ccc1F 1253612933 VBZJXOVBTKSRSB-UHFFFAOYSA-N 419.503 0.673 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1301868334 UNRDJWLLBWSSOL-PMPSAXMXSA-N 404.471 0.006 30 20 HCED O=c1c(C=NNC(=S)NCc2cccnc2)c(N2CCOCC2)nc2ccccn12 1317771477 HQXZGVQDISJWBX-UHFFFAOYSA-N 423.502 0.924 30 20 HCED Cn1ccnc1C[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1319394440 LWBZQWUQXTUGLY-CQSZACIVSA-N 401.492 0.940 30 20 HCED N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(=O)nc1O 1542715443 KSCBIILTONDTDQ-UHFFFAOYSA-N 403.345 0.083 30 20 HCED CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1552729592 ZJDPXFWRHWBDBH-UHFFFAOYSA-N 409.450 0.984 30 20 HCED CC[C@H](CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OC 1621629206 NAAQSVDBKZOJKZ-OAHLLOKOSA-N 401.510 0.619 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1712455086 PKOHXYIXNAIEJD-AWEZNQCLSA-N 415.502 0.990 30 20 HCED CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1712685736 QHQXVOLRVQXVDF-KBPBESRZSA-N 422.511 0.315 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnn5ccncc45)C3)C2)c1 1777985813 BUXFIRHXYYGZQZ-FQEVSTJZSA-N 405.418 0.686 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](COC)NC(C)=O)CCO2)C1 1778885975 OCTFXBBDXIVLIX-LQWHRVPQSA-N 407.511 0.736 30 20 HCED CN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CC1 1779133370 ZSNFAEIXCPZHES-XWRADEMYSA-N 402.495 0.870 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/C(=O)NCc3ccco3)C2)C1 1779206328 NHKSIXMTIUKQTN-YAQIIAKESA-N 414.462 0.832 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)NC(=O)CC)C2 1779329865 DQLLAKYHVQJRSP-QNFHRHJVSA-N 423.554 0.988 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780431959 GLMRINOSMMUXPU-HXUWFJFHSA-N 406.483 0.855 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nc[nH]c2[N+](=O)[O-])CCO3)c1 1780597021 GCXNKOAZFJMWNG-LJQANCHMSA-N 410.390 0.947 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnn1C)C2 1780802800 WUOMLIGEYTVTBC-QMTMVMCOSA-N 406.487 0.744 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192563 LKFQHXMJPOOZCW-OYHNWAKOSA-N 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COc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1C(N)=O 26769573 XOYKVRAGWUNAKK-UHFFFAOYSA-N 401.448 0.572 30 20 HCED Cc1nc(SCC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(C#N)c(C)c1C 46046115 HBDUFOFQYPSHLP-UHFFFAOYSA-N 415.519 0.920 30 20 HCED Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 410147261 JHSCNROINWHESF-GOSISDBHSA-N 406.508 0.792 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 428368143 BYDUSEBMDOIALG-CYBMUJFWSA-N 412.427 0.639 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)cc1 432275879 FIOOWGCBVGFAIO-HNNXBMFYSA-N 404.434 0.967 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1C#N 435839151 BRCFYVYYGVBXFM-UHFFFAOYSA-N 410.434 0.893 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)C1=O 437856707 YPQKCPFFFUCTMF-CZUORRHYSA-N 421.475 0.562 30 20 HCED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1C#N 441986550 IOXWOVZCFVLUJY-UHFFFAOYSA-N 423.520 0.604 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 446878528 ZMSQGOYUQXESMS-UHFFFAOYSA-N 407.496 0.323 30 20 HCED Cn1c(=O)c2ccc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)nc2n(C)c1=O 461278915 QMUCOWCVPVSFBR-UHFFFAOYSA-N 402.374 0.337 30 20 HCED N#C[C@@H]1CN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCN1Cc1ccccc1 463734383 HIKKABBZYQXEPJ-QEUPLWARSA-N 422.485 0.775 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(F)(F)[C@H](CO)C3)n2)c(F)c1 464123784 VDSIVUBUEOZJCF-LBPRGKRZSA-N 407.352 1.298 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCc3ccccc3C2=O)n1 467329208 HWFDUIADZRNZBG-UHFFFAOYSA-N 408.462 1.263 30 20 HCED N#C[C@@H]1N(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC[C@]12CCCCO2 468631813 MWKYZIDVTZLIAU-LVCYWYKZSA-N 404.511 0.621 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 468695866 UVDCBAPCTIWOFN-UHFFFAOYSA-N 404.448 0.966 30 20 HCED C[C@@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 468969788 MRTQRNDATXJDAE-AWEZNQCLSA-N 409.468 0.662 30 20 HCED CCn1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 474027510 DAZQDFKJBQIMMG-UHFFFAOYSA-N 409.493 0.470 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 479906349 ZQTDLWJWECDNOX-ZDUSSCGKSA-N 400.451 0.985 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)Nc3cccnc3)n2)cc1 491312157 YUZJURITJLSVNP-UHFFFAOYSA-N 404.390 0.286 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)C2=O)cc1 501198799 UPKHGHXFVUTUIG-BHYGNILZSA-N 402.476 0.882 30 20 HCED N#Cc1c(CCCNC(=O)NCCN2C(=O)CNC2=O)nn(-c2ccccc2)c1N 503710240 WZRPXVAPTDARDW-UHFFFAOYSA-N 410.438 0.110 30 20 HCED C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)[C@H](C(C)C)C1 508885593 RGYCTGPITZRMNF-JKSUJKDBSA-N 412.560 0.573 30 20 HCED CC(C)[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)N(C)Cc1nnc2n1CCC2 509236098 GDEITMCHNYABEY-CJNGLKHVSA-N 411.532 0.276 30 20 HCED C=CCN(C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)[C@H]1CCS(=O)(=O)C1 516146464 SILRBLREJIHZOQ-ZDUSSCGKSA-N 404.448 0.647 30 20 HCED C=CCN(C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)[C@@H]1CCS(=O)(=O)C1 516252526 IVUVGNGCPGTHEB-QGZVFWFLSA-N 417.487 0.260 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 517333129 APZADWGNCUOXFX-UHFFFAOYSA-N 406.446 0.990 30 20 HCED C=CC[C@H](CO)CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 537019972 CJKJCOZAXADSMR-NSHDSACASA-N 416.443 0.990 30 20 HCED Cc1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2=O)n(C)n1 538065629 WAHRNBUQTXUNFH-CQSZACIVSA-N 412.454 0.628 30 20 HCED C=CCNC(=O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 538623719 QBBIBNYBVLQYAL-UHFFFAOYSA-N 412.468 0.140 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(NS(C)(=O)=O)cc2)n1 539183029 FFRJAMMHRSVORT-UHFFFAOYSA-N 404.452 0.962 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn(C)c1=O 541946349 ACOUYQNRTJQCNV-KRWDZBQOSA-N 407.430 0.816 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CNc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 544639643 HNEIIPDWPRCDOD-CYBMUJFWSA-N 414.466 0.600 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)O)CC2=O)C1 548245557 VENCDBTYIALHKC-MNOVXSKESA-N 408.392 0.163 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(N)=O)C3)n2C[C@@H]2CCOC2)cc1 549634406 FCTCPGSPBZYBDE-DOTOQJQBSA-N 412.450 0.456 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cn4ccccc4n3)CC2)c1C#N 550292498 ULXMPQHJGKLWGQ-UHFFFAOYSA-N 420.477 0.255 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 552539051 WFVFLRUKJZROCY-GOSISDBHSA-N 413.522 0.287 30 20 HCED C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 554609855 BQGDHJTXVCZTGH-UHFFFAOYSA-N 423.437 0.195 30 20 HCED CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccco1 555645970 GPTWIFIVEKVIHN-ZWKOTPCHSA-N 423.473 0.787 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 557345912 VXACXBWYFLKVHW-AWEZNQCLSA-N 408.480 0.776 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 559605098 FHZMYUWBWHDZIB-ROUUACIJSA-N 416.526 0.202 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 572517809 JYWYOZZAIIUKKC-CEXWTWQISA-N 409.490 0.328 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 572658073 SSKNFICHXVPXJZ-LJQANCHMSA-N 409.490 0.542 30 20 HCED Cc1cccc([C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)N2CCOCC2)c1 585715698 CRTQMESPBRAXIU-FQEVSTJZSA-N 413.522 0.589 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1cccc(C#N)c1 587717638 LREJOFXTFPDMGD-CQSZACIVSA-N 406.446 0.578 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CN(C)CCO1 589138345 BMBROJKFZHCJTB-HNAYVOBHSA-N 400.479 0.763 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)ccn1 589416306 FDDDTNMQNCTLLP-MRXNPFEDSA-N 420.385 0.447 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1=O 610636024 WLRXQKLQIHZEDC-VLIAUNLRSA-N 407.434 0.776 30 20 HCED CN(CCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 611543575 OYILQBLGWFRVMR-INIZCTEOSA-N 407.496 0.634 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 615632113 CIPLHRZGDPSKDO-FQEVSTJZSA-N 408.393 0.947 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 623205016 AORYJBKOMPQNTM-SFHVURJKSA-N 420.535 0.705 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 670741602 XRERGSKOJDKUFJ-IAGOWNOFSA-N 409.508 0.449 30 20 HCED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 679753655 ZIVUYYJORPLWHV-UHFFFAOYSA-N 412.496 0.591 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 728573218 UUEWEIQCXVTTEP-CQSZACIVSA-N 403.439 0.297 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 729671100 HDNXQVQNRXGCGT-UHFFFAOYSA-N 413.402 0.398 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 733150587 OFPKXDYBMMJLLG-UHFFFAOYSA-N 420.460 0.759 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 733150780 UQUAUFCRBUALCC-INIZCTEOSA-N 400.454 0.462 30 20 HCED C[C@H](CS(C)(=O)=O)N(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 733275669 NNMKLYPQDJWDIM-GFCCVEGCSA-N 413.521 0.539 30 20 HCED CCOCCCN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 734401784 GAHDWJCGCGBPRP-RDJZCZTQSA-N 422.551 0.978 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1Cl 742144207 ZPAPNHNBEOPARA-UHFFFAOYSA-N 423.903 0.643 30 20 HCED C[C@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743992153 FEELOSFPWSDKIC-IQQDNESTSA-N 410.496 0.573 30 20 HCED C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746191195 QPBDPPKSYAWJNQ-XDLCVMBESA-N 403.527 0.920 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)C[C@@H]1NC(=O)NC1=O 751568274 VTVHTMJITUJNFS-ZDUSSCGKSA-N 405.411 0.093 30 20 HCED CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N\CCc1ccccn1 751923367 HWPJAFDNYZMKBJ-LZGOTPHISA-N 403.508 0.727 30 20 HCED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 755752666 AQPNPCQOTZHCFW-VLIAUNLRSA-N 423.481 0.407 30 20 HCED Cc1cccc(Cn2nccc2NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 756782092 VMKKCMBZKIFLRZ-HNENSFHCSA-N 422.445 0.821 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757589087 FMAOQCCANJWPCL-TZMCWYRMSA-N 400.439 0.749 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758642122 ODZOUVQDGSSFPD-RDBSUJKOSA-N 416.500 0.607 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(S(C)(=O)=O)CC2)C1 758762542 TXTCISKVXOMICJ-STQMWFEESA-N 401.489 0.032 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 758771234 ZVSBBIHRRREIPI-IUODEOHRSA-N 424.479 0.588 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1CCOC 765144935 MLIQLEQSBWCARK-UHFFFAOYSA-N 419.503 0.715 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)nc1 770910824 BLYYQVAERKPDCR-UHFFFAOYSA-N 424.460 0.331 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)[C@H]1CCCO1 773802316 ZSTNYEXWSVVRTH-DZGCQCFKSA-N 409.464 0.692 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)c1 783454335 BIPRPZUTQFJKDQ-UHFFFAOYSA-N 403.402 0.679 30 20 HCED Cc1nc(Cn2nnc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)c2C)no1 786502443 WKAPASLXSSAYQG-UHFFFAOYSA-N 405.371 0.456 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N([C@H](C)C(=O)NCCF)C1=O 799862131 OUGOTDFREQKRNK-WPVVYYLNSA-N 409.487 0.534 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCOc3cccnc3)C2=O)cc1 804071922 KHOPRCDFJHIYLT-SFHVURJKSA-N 407.430 0.760 30 20 HCED COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 805229241 UKXRIROTVQDWMN-CHWSQXEVSA-N 414.422 0.657 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 805542481 PGJFGILJDUXEPN-KRWDZBQOSA-N 417.462 0.670 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 805587723 LCICXYXODYIHOO-CQSZACIVSA-N 421.454 0.779 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cncn2C)C1=O 809943591 JNNRLBVQMJXFQR-CQSZACIVSA-N 400.464 0.787 30 20 HCED C#C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccc(Cl)cc1 811862893 MQTZSSUDXTUUFD-BPAMBQHCSA-N 415.837 0.878 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCCS2(=O)=O)cc1 916440432 ACLKKEAUPVRRDF-OBGWFSINSA-N 414.509 0.473 30 20 HCED C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)[C@H]1CCS(=O)(=O)C1 919988784 FCJBUYKCKVYIFZ-LBPRGKRZSA-N 404.485 0.891 30 20 HCED CS(=O)(=O)CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1116370436 BAERHRYANQROCG-MRXNPFEDSA-N 418.475 0.799 30 20 HCED Cc1c(NC(=O)Cn2cc(C#N)c(O)nc2=O)cccc1C(=O)N1CCSCC1 1136565844 MDOOUFRZJUTDMR-UHFFFAOYSA-N 413.459 0.957 30 20 HCED Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1297335069 MHAVSHFVJKQGRZ-OAHLLOKOSA-N 413.459 0.591 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2)nc1 1330437662 YHLHNUXTVUBOEC-INIZCTEOSA-N 419.449 0.682 30 20 HCED CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)Cn1cc(C#N)c(O)nc1=O 1442144585 VTFFCVIXFBZQNT-OAHLLOKOSA-N 405.455 0.087 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](c2nccn2C)C1 1451306404 NZFMRSCPXBMYRW-LXZKKBNFSA-N 417.491 0.995 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1463867629 OEPGIJQCWVEAPD-STQMWFEESA-N 409.530 0.153 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@]1(O)CCCOC1 1470426950 LDKMQSAYQDVPLN-KUHUBIRLSA-N 409.508 0.909 30 20 HCED CCN(C)C(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515303320 MRKDLRLHTVTZSL-GOSISDBHSA-N 408.510 0.919 30 20 HCED C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1612881649 QJGPKBDOWGGBFS-CQSZACIVSA-N 421.465 0.572 30 20 HCED CN(C)C(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1617602103 YHAUFRHUEIWOHY-YOEHRIQHSA-N 412.450 0.998 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCCCC2)CCO1 1620354774 KYQWVILDRLYKHW-INIZCTEOSA-N 415.498 0.645 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)c(=O)nc1O 1630063779 UDSFPVIKMPPANQ-IKGGRYGDSA-N 407.430 0.484 30 20 HCED Cn1nc2cc(Br)ccc2c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646148866 WZGYPGQNOFNRKA-UHFFFAOYSA-N 417.223 0.900 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1 1651066582 NZQVFNNEKBFRKI-OAHLLOKOSA-N 414.487 0.700 30 20 HCED Cc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc1 1663985498 WLSKQYMPIWQCAC-HNNXBMFYSA-N 413.521 0.702 30 20 HCED CC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693914367 CWKDSGJFLIPELS-HRAATJIYSA-N 424.509 0.983 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1712876058 LHSDNIULLCKDQZ-XIKOKIGWSA-N 401.402 0.694 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1778976006 MTYOHHHNNOHHOB-RAIXIZIVSA-N 400.479 0.893 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1779102088 WOAFSRANYMXHJL-QRIYWZMZSA-N 418.450 0.760 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1781271807 LRYPYHNFGIEECP-PZTGFMGMSA-N 406.479 0.893 30 20 HCED 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CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)COC1 1837486566 JNRUXIZBBHSWHZ-JOCHJYFZSA-N 420.506 0.178 30 20 HCED CCOCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489811 VPJNDADUSXGOEM-OAQYLSRUSA-N 408.495 0.178 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)cc(OC)c1F)CCO2 1838552859 CANYRVSFYDDBKX-HXUWFJFHSA-N 406.410 0.546 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1839222574 SAMHCIUEUCOCGL-BBTUJRGHSA-N 424.542 0.728 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422284 MDFITFHFNVRMNW-JLTOFOAXSA-N 405.426 0.802 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)CC1 1839628949 SJAGZUNKDMNSKF-FQEVSTJZSA-N 410.434 0.332 30 20 HCED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839674665 FFDONSHUXRHVID-XMSQKQJNSA-N 405.539 0.834 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1)C(F)(F)F 1839892446 NGKJUXQPINMWMH-HNNXBMFYSA-N 420.413 0.914 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3F)CCO2)C1 1839970191 JJDMIZGQGXEWDN-LIRRHRJNSA-N 412.483 0.979 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843105227 NMNHZGXJGDBABX-RDBSUJKOSA-N 413.540 0.878 30 20 HCED CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197461 QAHAHTNEYWLCJQ-HDJSIYSDSA-N 405.451 0.581 30 20 HCED COCCOCCOCCOCCC(=O)N1CC2(CCCN2C(=O)[C@@H](C)S)C1 1846370104 WJVCOOWOXZGMBS-MRXNPFEDSA-N 418.556 0.594 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC#N)[C@@H](O)C1 1847232553 HRVKMBFNMHXUKH-UGUYLWEFSA-N 406.483 0.720 30 20 HCED C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29249739 GFULGTHDJSZAJO-ZFWWWQNUSA-N 421.523 0.580 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(NS(C)(=O)=O)CC1 54876458 SKMVYVMWSNQKHQ-UHFFFAOYSA-N 408.480 0.824 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\CCCCN3CCC(C(N)=O)CC3)NC[C@H]2C1 304983597 AIASAMABQHOJNE-KRWDZBQOSA-N 422.574 0.844 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)n(Cc2ccco2)c1C 428802530 PEADIEHGDLOODI-OAHLLOKOSA-N 424.461 0.199 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)s1 435445999 IPZZEMUJEUBDDS-AWEZNQCLSA-N 406.489 0.501 30 20 HCED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCC(=O)NCCO)cc1F 439256346 YSUSFPCCHIHUAF-UHFFFAOYSA-N 400.366 0.653 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1C 446522792 MADDNKXRHURIHY-UHFFFAOYSA-N 402.451 0.795 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 447250723 RHZKPHFSENXTNJ-UHFFFAOYSA-N 403.826 0.100 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460584112 QILRSYFSXHLQPI-UHFFFAOYSA-N 409.450 0.794 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461744281 FLRZOXIVTCLMIY-NSHDSACASA-N 400.424 0.178 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 465322567 CRGFRQHTLMMPDG-UHFFFAOYSA-N 409.450 0.130 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCCCC1 476336335 SSEAXHUWOSXFOS-UHFFFAOYSA-N 416.525 0.926 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 480493582 LBWBZLFDXCRIEL-GFCCVEGCSA-N 416.463 0.339 30 20 HCED CC(C)OCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482509678 QTDGARHEFZIBPI-INIZCTEOSA-N 408.524 0.794 30 20 HCED C[C@H](CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[S@](C)=O 482920910 XDURYRYDKDQQML-PTFIGZPYSA-N 412.537 0.731 30 20 HCED C[C@H]1COC(C)(C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 488178991 OYSXWUHSYZMQKA-INIZCTEOSA-N 420.535 0.890 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NC(C)C)cc2)CC1 491056198 YXZCVYFXTGFBDM-UHFFFAOYSA-N 415.494 0.210 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCNS(=O)(=O)Cc1ccon1 499121338 JSQBMWTYBLWKAN-UHFFFAOYSA-N 412.468 0.967 30 20 HCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 499314379 IKDGCADMNGGGEJ-STQMWFEESA-N 401.510 0.772 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)cc1 501190257 UFCMCAXRTNKHRY-UHFFFAOYSA-N 415.515 0.747 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 506336114 CDZPZRWCBLFAMD-UHFFFAOYSA-N 408.462 0.863 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2F)c1=O 514657768 WTLMLFGJXYODQP-UHFFFAOYSA-N 405.426 0.570 30 20 HCED COC(=O)c1c(F)cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1F 521468642 DRTOXEVQCQSIRF-UHFFFAOYSA-N 406.349 0.616 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(=O)NCCN2CCCCCC2)cc1 552355969 SNEZEIKONBMIQM-UHFFFAOYSA-N 420.535 0.581 30 20 HCED N#CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 553653648 DMTACMAIFPSNHA-UHFFFAOYSA-N 418.500 0.865 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 555650514 KIQQERGFXUROFH-UHFFFAOYSA-N 400.464 0.361 30 20 HCED Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)CC2)c1C#N 558606293 ZLMIKMDQWYWVTN-ZDUSSCGKSA-N 412.541 0.436 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 560879064 ZVMNZCNAPUFJPG-UHFFFAOYSA-N 413.522 0.218 30 20 HCED Cc1noc([C@@H]2[C@@H](C)OCCN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 560931324 USYABGJSBNKGHS-PXAZEXFGSA-N 419.463 0.859 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1S(N)(=O)=O 561659467 CKDBOUMLOPZCHB-GFCCVEGCSA-N 422.488 0.189 30 20 HCED CC(C)Nc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C#N)C2)cc1[N+](=O)[O-] 570011908 CWLRUVRSNAFECL-LBPRGKRZSA-N 411.440 0.444 30 20 HCED C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 573312854 WPOKVJLBURNJIM-AYOQOUSVSA-N 411.506 0.968 30 20 HCED COC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 573953066 YDXDOCDRYGHTGO-QGZVFWFLSA-N 412.446 0.581 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 576963017 OUXZLGANRDEEPD-GASCZTMLSA-N 402.455 0.386 30 20 HCED C=CC[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 577895710 VKBNOWNEKBVKNF-ZDUSSCGKSA-N 411.480 0.735 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 578018668 WXARUFVWASCBTF-RTBURBONSA-N 420.554 0.651 30 20 HCED COc1cc([C@@H](C)NC(=O)C(=O)NC2CCN(CC#N)CC2)cc(OC)c1OC 585720590 QWVVYKGNSFCCMN-CYBMUJFWSA-N 404.467 0.994 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 603591531 SHEBCLQIJYCSOW-FQEVSTJZSA-N 412.450 0.793 30 20 HCED COC(=O)C1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCCC1 610607262 HCBRMGOJAPGSGP-UHFFFAOYSA-N 410.434 0.986 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(C[C@@H]4CCCO4)c3)CC2)nc1 610775625 FPRQDLUJCAQIOF-KRWDZBQOSA-N 409.450 0.616 30 20 HCED C[C@@H]1C[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C(=O)N1c1cnn(C)c1 611024165 PDUNLJQVMYIZBK-MFKMUULPSA-N 404.408 0.672 30 20 HCED Cc1nc(=NC(=O)c2coc(S(=O)(=O)N(C)C)c2)n(-c2ccc(C#N)cc2)[nH]1 611128506 RDMUXVMVIGAWCR-UHFFFAOYSA-N 400.420 0.965 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnc2c(c1)COCC2 611476260 GTPLAGVUMJMVDX-ZDUSSCGKSA-N 407.434 0.492 30 20 HCED Cn1cc(S(=O)(=O)NCCN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 611550713 DYPYKXPKVYYYGE-SFHVURJKSA-N 406.487 0.720 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccco3)n2CC)CC1 728536418 ZRPQGSLRIPCVEF-UHFFFAOYSA-N 416.507 0.544 30 20 HCED CC(=NNC(=S)NCCCN1CCOCC1)c1cccc(NS(C)(=O)=O)c1 729816869 RSLVBVSWFRIDEF-UHFFFAOYSA-N 413.569 0.969 30 20 HCED CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731888287 SZKWBYACTNXIFV-ICFOKQHNSA-N 410.427 0.380 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cn1 732796320 BUXQVEAOWYXDES-UHFFFAOYSA-N 401.492 0.291 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)CC1 742065584 LRGWHZDHDQBIRN-UHFFFAOYSA-N 408.458 0.960 30 20 HCED COc1ccccc1-n1cc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 742295172 VLDIRQGVCXGOFQ-ISLYRVAYSA-N 417.447 0.686 30 20 HCED C#CCCN1CCN(C(=O)CSc2n[nH]c3nc(NCC)nc(=NCC)n23)CC1 744364632 VMRKDAKTAVZUCE-UHFFFAOYSA-N 417.543 0.064 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745444537 SMMNGFZVVUUXBU-OCJWLLHGSA-N 405.451 0.523 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 747880615 UDLMTXKONNDWCW-UHFFFAOYSA-N 409.483 0.872 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)CC1 747993254 HQAJHNROGQYVQQ-UHFFFAOYSA-N 408.462 0.811 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)CC1 748817066 IRXDAJGGTXZTHX-FQEVSTJZSA-N 412.534 0.684 30 20 HCED CCS(=O)(=O)NCCCOC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753375697 VTLVZGSZGXITLN-LBPRGKRZSA-N 417.509 0.376 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=NN(c2ccccc2)C(=O)[C@@H](C)N1 757156893 MKNJGVBCVXKGAW-LSDHHAIUSA-N 418.461 0.724 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)cc1 757958562 IAZSOCUJIBWZJE-PKOBYXMFSA-N 402.472 0.813 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758050341 QOPNSYPLFPYFKN-UHFFFAOYSA-N 406.467 0.451 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 759056315 HWJVKXSJRNMWAP-UHFFFAOYSA-N 413.522 0.755 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 765896079 PIELXYJFHHHPRL-QGZVFWFLSA-N 409.508 0.357 30 20 HCED Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 766254923 KWXUQLWBWOHNNY-FOCLMDBBSA-N 401.379 0.793 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 766975989 BSDYUSORQCAZKT-STQMWFEESA-N 405.432 0.547 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2CC2CCOCC2)c1 768543658 GVVCIDVZROFVRO-UHFFFAOYSA-N 419.463 0.368 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1)[C@H]1CCCO1 773793479 GRARHUNQDJKCRK-JKSUJKDBSA-N 401.419 0.215 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c1 773831463 VDWRLAOMCPWLPY-UHFFFAOYSA-N 416.415 0.934 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)C1 774011758 GLTDXAUKGWIYRL-BZUAXINKSA-N 405.451 0.788 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cnc21 774072538 SIIVDFVLNHJCHO-UHFFFAOYSA-N 419.806 0.678 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)CC1 778614798 PPSJDMBCXWGEJX-AWEZNQCLSA-N 405.505 0.959 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 782986550 DAJZFNAOWIXIRA-UHFFFAOYSA-N 400.475 0.076 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2N2CCOCC2)nc1 788337630 YJHFQNVDSYVWCP-UHFFFAOYSA-N 408.462 0.634 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCSC(F)(F)F)CC2)c1C#N 788526615 JNPCBDFKVXUKBL-UHFFFAOYSA-N 404.418 0.618 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)c1C#N 788537109 QXGSQCZXIGORON-SJORKVTESA-N 409.450 0.220 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C)c1cc[nH]n1 789965356 GGRPBVKSFSJSOP-ZDUSSCGKSA-N 411.484 0.462 30 20 HCED COCCOc1cc([N+](=O)[O-])c(C(=O)NS(=O)(=O)CC2(C#N)CC2)cc1OC 793200425 BEAPQOFXBXCWRM-UHFFFAOYSA-N 413.408 0.992 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2S[C@@H](C)C(N)=O)CC1 801151632 WPPVHGCAMJFQDQ-HNNXBMFYSA-N 402.520 0.550 30 20 HCED N#Cc1ccc(N2CCN(C[C@@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)cn1 801554408 DYJABPUKLNFFRZ-LJQANCHMSA-N 406.446 0.953 30 20 HCED 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CN(C)C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799638794 AWCATTLSUCGDHR-IZZQQSIFSA-N 413.478 0.227 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)C2 1800456452 UGWFLPPNOHXPLN-XLKGFZLASA-N 405.495 0.855 30 20 HCED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)ccc1C(F)(F)F 1800778200 GGBHNJXBFZUFKG-CULMDFNYSA-N 413.352 0.335 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc3c(c1)NC(=O)CS3)C2 1800987629 FPWCETNCAITNMJ-ADGXKJENSA-N 422.532 0.647 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1CCCS1(=O)=O 1801514373 JTLRVDWPMYOANG-MYIKEVNZSA-N 410.540 0.674 30 20 HCED O=C(CC1(O)CCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1801584176 PPYKNQXHHDCYOC-WDGRPBOQSA-N 409.483 0.410 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1803564298 FMYFMYIRORIDNN-HHXXYDBFSA-N 414.510 0.518 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CS(C)(=O)=O)[C@@H]1c1cccnc1 1806768314 FIAKZZOUHWMWGJ-HFTRVMKXSA-N 424.523 0.933 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806871701 PFFPDGKGDCRMCL-MAUKXSAKSA-N 402.524 0.875 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2C)[C@H]1c1cccnc1 1808744822 BCEQPEUBESQPHJ-HGKSCXNLSA-N 412.490 0.747 30 20 HCED Cc1cc(C)n(CC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1812874555 LASDPBPUUIGGSD-LAUBAEHRSA-N 409.446 0.689 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)CCN2CCOC2=O)[C@@H]1c1cccnc1 1812876907 AYANWYPEBFPOFY-DNVCBOLYSA-N 414.418 0.018 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCNC2=N)n[nH]1 1817294543 BZCYIEWNEQKUER-HUUCEWRRSA-N 417.514 0.815 30 20 HCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C1(C#N)CC1)CC2 1819463337 PCVHJKVYMJYMRJ-TVQRCGJNSA-N 407.452 0.423 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@H]2CCCCN2C(=O)c2cnc(OCF)cn2)[nH]n1 1822199667 UMLCSUQAMGPDIH-CYBMUJFWSA-N 416.369 0.899 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829524668 JURDOAKUYIBGFY-XOBRGWDASA-N 423.416 0.468 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830047711 WYJDWYOMGWTSEU-NRFANRHFSA-N 424.542 0.706 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cn[nH]c4cn3)C2)C1 1830057643 IOFHTVJGIBDVDU-HXUWFJFHSA-N 412.450 0.578 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](C)NC=O)CC1 1830324708 VBOVERUATHOMOJ-PPVIZMFSSA-N 404.511 0.599 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(=N)N)CC1 1830343179 RTWPXUHHWICOAE-MRXNPFEDSA-N 407.515 0.599 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831120263 YMGQYWUSBNKNAP-NRFANRHFSA-N 422.526 0.340 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1831438397 QDLBEMKOEACYJA-IKVWTGGYSA-N 410.511 0.585 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C34CC(F)(C3)C4)CCO2)C1 1831588977 OTUOWSLDKQDHOI-VWNGAAMTSA-N 410.486 0.908 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@H](C)S)CC1 1831840745 OZSPWDCQFIDOTF-NWANDNLSSA-N 401.529 0.989 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1832457478 QSHFPRQUHVCOLV-DNVCBOLYSA-N 411.524 0.053 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn(C(F)F)c3=O)C2)C1 1834763710 SSQZVUMRWKUQHU-SFHVURJKSA-N 410.377 0.227 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(-n4cncn4)c3)C2)C1 1834765390 OCZHDUXPXMSUQI-FQEVSTJZSA-N 410.434 0.251 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1835100262 KGVCKXKJLQCNME-QHCPKHFHSA-N 424.453 0.894 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nonc5c4)C3)C2)CC1 1835341737 CDOIINXEKYWXFL-FQEVSTJZSA-N 411.418 0.597 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4Cc5ccccc5N4)C3)C2)CC1 1835346512 FBMOYPWWVWEBTG-PGRDOPGGSA-N 410.474 0.783 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1837393336 PLPIGDUEFLHVHP-DYESRHJHSA-N 420.510 0.372 30 20 HCED CC(=O)CCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837442021 MCCCNYIFFDPBQD-DZSVRRGNSA-N 408.499 0.284 30 20 HCED Cc1nc[nH]c1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837563764 ZLLYDEBQGGTIIH-JFOGYLRVSA-N 415.450 0.500 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnc[nH]4)C3)C2)c1 1838905613 PFXUUXLFNZSHFH-QFIPXVFZSA-N 423.473 0.984 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nnc4C)C3)C2)c1 1839452204 MPLZHHNBKKLTIV-OAQYLSRUSA-N 424.461 0.677 30 20 HCED CCN(CC)C[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839674080 MMGJDVIJUFJJSY-DYESRHJHSA-N 408.543 0.970 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1840158372 KTPIGCBQUARHEM-LIRRHRJNSA-N 411.499 0.928 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4cnccc34)C2)C1 1840161165 GLCFASMBMWAULO-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1840164410 IKHSSBVEMWQKND-VFNWGFHPSA-N 420.531 0.939 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840233270 HZMKAQGCHGLBJH-RDTXWAMCSA-N 415.437 0.180 30 20 HCED COc1ccc(COCC(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1840253521 PVPZERRBLQPYGP-OAQYLSRUSA-N 417.462 0.582 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455684 HKVMGNLUVBMFCF-DYESRHJHSA-N 418.494 0.457 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cccnc2)C1 1841970010 DVGIKOCKGMJVBK-UHFFFAOYSA-N 414.462 0.524 30 20 HCED CCOc1ccc(C(=O)N2CC3(CCCN3C(=O)C(C)(C)NCCC#N)C2)nn1 1842920165 NOIXYHOLEJAJIO-UHFFFAOYSA-N 400.483 0.974 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130712 RNKWVZFLAWDYSN-LBPRGKRZSA-N 423.495 0.456 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283948 IWDLDSWHBXETIU-IBGZPJMESA-N 406.479 0.504 30 20 HCED O=C(O)c1cnncc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844459224 ASFFCHUDBVYCSG-CPHRPENTSA-N 417.422 0.521 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 11555170 NXBONGKFIHQISY-KPZWWZAWSA-N 407.448 0.817 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(NC(=O)C4CC4)CC3)CC2)o1 30287460 PZNUNIQQFWOAFI-UHFFFAOYSA-N 400.483 0.494 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 32808369 PIMBTFUKKOBHLT-QGZVFWFLSA-N 409.487 0.450 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 409555326 SGIRIBXPEQIYEX-AWEZNQCLSA-N 424.552 0.600 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(c2ncnc3sccc23)CC1 409582578 QZHDJYTVURSJER-UHFFFAOYSA-N 410.525 0.920 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 428989494 DOQRDTWMODWHRV-UHFFFAOYSA-N 424.527 0.775 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 430378744 STDNJSFRIRSXCK-PKOBYXMFSA-N 408.543 0.487 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC1CCN(S(C)(=O)=O)CC1 434853828 BVTKSXJCGUVZHA-UHFFFAOYSA-N 409.512 0.841 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)C1=O 440275091 RYPDLHKCFCPQMQ-CQSZACIVSA-N 411.455 0.803 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CO)n1 440666984 JBCCYFDJKHMWNU-ZDUSSCGKSA-N 405.867 1.272 30 20 HCED Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 442407958 PDQIEXLVEFIUGV-OAHLLOKOSA-N 413.482 1.399 30 20 HCED CCCNC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446527110 PAFOUJBPNFAKDT-UHFFFAOYSA-N 415.494 0.839 30 20 HCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446529019 YJCQDJMILMTEEZ-UHFFFAOYSA-N 408.480 0.103 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)OC4(CCOCC4)C3)CC2)o1 447822251 PKDVMQVGVGRDPC-OAHLLOKOSA-N 403.483 0.773 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1=O 467664747 XDBQASZLQYPASE-HOTGVXAUSA-N 412.446 0.162 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)c1 470840549 NZMLNRLWGCQWGJ-UHFFFAOYSA-N 404.404 0.101 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472203469 BVTUDWBYUOLDJI-UHFFFAOYSA-N 416.507 0.747 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1=O 474191233 PZYYLHURXJUGDR-CYBMUJFWSA-N 406.445 0.885 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)CC1(C#N)CCCCC1 476541806 WOVMHDVHVXSGSM-CQSZACIVSA-N 401.485 0.170 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC[C@H]2CCCN(CC#N)C2)c1 479901522 VOGFZIPJEZDQIG-OAHLLOKOSA-N 421.523 0.018 30 20 HCED C[C@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 480454185 OETUGBLKWRENRL-OWCLPIDISA-N 408.524 0.841 30 20 HCED C[C@H]1CN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)CCO1 481781591 QJHMDLMWUIAIHP-JKSUJKDBSA-N 420.535 0.937 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccccc2OC)c1=O 489177561 IFCLTCIEUHFFQL-UHFFFAOYSA-N 401.488 0.594 30 20 HCED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489294043 PZZLZMVXKVMGMN-NEPJUHHUSA-N 424.548 0.671 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCCCN2C(=O)c3ccccc3C2=O)c1=O 498458317 NARCCQGAPSQALL-UHFFFAOYSA-N 410.430 0.620 30 20 HCED N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](CO)NC(N)=O)CC1 503270109 JLZRGBCJUVNLDX-ZIAGYGMSSA-N 410.272 0.187 30 20 HCED N#Cc1ccc(CS(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 505445601 KGRXTUJEIXMALD-UHFFFAOYSA-N 400.508 0.980 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@](C)(C#N)CCOC)s1 508068539 NPZRHADEGYADGR-CQSZACIVSA-N 409.555 0.827 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 509998054 ZJHBIVOMIHQZCU-LLVKDONJSA-N 401.470 0.893 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1c[nH]nc1-c1nccs1 515009099 SMQKDZNJRFVIJT-LLVKDONJSA-N 423.462 0.871 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)cc1 518069894 LXDFKYHMPJXRBY-UHFFFAOYSA-N 423.454 0.902 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)c(OC)c1 520518106 NTRBLSRSGNGLGJ-LSDHHAIUSA-N 418.450 0.191 30 20 HCED C=CCc1cc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc(OC)c1OC 523576230 RYGDEJYNRKULCQ-UHFFFAOYSA-N 408.480 0.983 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)c1C#N 530363873 KIKBEPMTIOJKBM-UHFFFAOYSA-N 408.509 0.200 30 20 HCED CCN(CCC#N)C(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 531775734 LBSLJQFWTOHDRU-UHFFFAOYSA-N 410.496 0.890 30 20 HCED CCCN(CC(=O)NC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532925132 DIUHBXYQZLJWPA-UHFFFAOYSA-N 414.466 0.913 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 534832046 MNGJTCHNZZMHNG-UHFFFAOYSA-N 419.511 0.617 30 20 HCED Cn1cc(I)c(=O)n(CC(=O)NCc2cccc(C#N)c2)c1=O 536701967 WZVQNCLVFHVBNA-UHFFFAOYSA-N 424.198 0.340 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)n2)c(Cl)c1 543941917 LAMPSCLFEIKQHS-LLVKDONJSA-N 407.839 0.639 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)CC2)cc1 550891102 LSVPSNCGUBNDHG-IBGZPJMESA-N 406.490 0.989 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(c3cc(CC)ncn3)C2)C1=O 554445445 MQOSKWHJKTXZKR-DLBZAZTESA-N 414.510 0.369 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 557502366 HFFVNBKYVUIQCG-MRXNPFEDSA-N 408.462 0.959 30 20 HCED CN(C)Cc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccc1F 558218143 QPPMXYMHIQSBKN-UHFFFAOYSA-N 415.473 0.772 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCNC(=O)CC3CCCC3)CC2)n1 560958306 FXRLQJYGGDPKEQ-UHFFFAOYSA-N 412.494 0.415 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 566337131 OIIMFHMWKSYQRR-KRWDZBQOSA-N 415.469 0.721 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)Cc2cccc(F)c2)cc1 569396899 SFDGUKITNOGALD-UHFFFAOYSA-N 418.450 0.451 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 576664514 PNQZFWATOZWZIG-DLBZAZTESA-N 400.435 0.044 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(N(C)C)CCCCC3)CC2)c1C#N 577268471 AMZYMRJJQDXJRC-UHFFFAOYSA-N 415.542 0.630 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3N3CCOCC3)C2)nc1 581266495 WQJMTNWVKIQSAX-MRXNPFEDSA-N 422.445 0.803 30 20 HCED Cc1nsc(N2CCN(C(=O)c3ccc(CNS(C)(=O)=O)o3)CC2)c1C#N 583293996 JVAIBBPCDHYOLI-UHFFFAOYSA-N 409.493 0.928 30 20 HCED C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN(CC#N)S(=O)(=O)N(C)C)CC2)C1 583528513 XVKRIZDPEVGTNY-HNNXBMFYSA-N 413.544 0.115 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 589158741 QGHUKTQSDPLUED-UHFFFAOYSA-N 405.426 0.792 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 609038772 YONDETBECOGKIA-UHFFFAOYSA-N 419.510 0.972 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 623205015 AORYJBKOMPQNTM-GOSISDBHSA-N 420.535 0.705 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CCn3cc[nH]c(=O)c3=O)c(C#N)c2N)cc1 727850660 ZHRHLOPIUIDTRD-UHFFFAOYSA-N 421.461 0.624 30 20 HCED CN(CCS(C)(=O)=O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 728027987 RJLGGCKORGVTJI-UHFFFAOYSA-N 413.521 0.462 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)c1 731123590 ZQHDBFRAYQZHQH-UHFFFAOYSA-N 422.489 0.756 30 20 HCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 731236810 NWKSXHUURXVAIS-UHFFFAOYSA-N 416.253 0.686 30 20 HCED N#CCCNC(=O)COC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 732358968 XVQOMXCEOAFNBS-UHFFFAOYSA-N 408.480 0.992 30 20 HCED COC(=O)c1ccc(OCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732463979 TXRFLJRWEVIXNJ-WUKNDPDISA-N 402.407 0.678 30 20 HCED C#CCNC(=O)c1ccc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 732920172 IRIRFVLNFRPQSD-UHFFFAOYSA-N 403.420 0.743 30 20 HCED CC(C)[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC(N)=O 745496454 MVYXGFBFXSRFFB-YGRLFVJLSA-N 410.452 0.266 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 748815509 AJLDOBUMGQINTP-OAQYLSRUSA-N 409.534 0.187 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)CC1 752959214 FQEIDMMWFKPQGU-VOTSOKGWSA-N 408.462 0.341 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 756803285 YPLBDOJRIPCUPI-TZMCWYRMSA-N 405.459 0.852 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc(OC)ccc2OC)CC1 761024453 NRQBTRPBNHQWDC-CQSZACIVSA-N 410.496 0.116 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2cccc(F)c2)C(=O)C1 765881644 JWPRLDDQTYEBFL-ISLYRVAYSA-N 401.398 0.710 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)cc1 766592241 GNTLNRYJHUNUOA-SRMPHAGFSA-N 422.507 0.811 30 20 HCED C=CCNC(=O)c1ccccc1NC(=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 767502903 MKNATZXOIWLHOG-UHFFFAOYSA-N 402.432 0.827 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cccc(NS(C)(=O)=O)c1)c1cc[nH]n1 770822032 NPJXXVAZYXTSOB-UHFFFAOYSA-N 423.451 0.381 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(Cc2cccnc2)CC1)c1cc[nH]n1 772285953 VZUGHJWOXGPITQ-UHFFFAOYSA-N 414.466 0.869 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21)[C@@H]1CCCO1 773784148 AIJMTWQKZFRBJE-WBVHZDCISA-N 405.476 0.171 30 20 HCED C[C@H](CC(=O)NCCCCCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 774097180 WDLBJCXQRUKFCC-CYBMUJFWSA-N 415.537 0.835 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(CO)CCOCC1 779447842 UOUKPPZHPYKKLX-UHFFFAOYSA-N 409.508 0.943 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 783474776 IYMSFPMRHAVVGM-QGZVFWFLSA-N 419.503 0.660 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 785065832 LOJGGTLQCFKMJS-ODXCJYRJSA-N 413.434 0.753 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 785165709 XADRRJXSRJWZEI-UHFFFAOYSA-N 411.480 0.429 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2CN2CCOCC2)nc1 785442281 JGCRXNAHCKDSHM-UHFFFAOYSA-N 422.489 0.630 30 20 HCED Cc1nccn1-c1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)cn1 787478899 QZFYFTKGBCRJJD-UHFFFAOYSA-N 404.434 0.687 30 20 HCED CCC[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)CCN1CCOC 787775793 BEFUISZKBWCFAY-KRWDZBQOSA-N 402.499 0.441 30 20 HCED C#CC[C@@]1(C(=O)NCC2(O)CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 803649353 YHZHERZBDXDXJL-IBGZPJMESA-N 414.524 0.835 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3c(O)nnc3O)cc2)c1 808116213 LDOSNENIDYOEOP-UHFFFAOYSA-N 413.415 0.842 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 810772799 FSQDGXLQXFNDDK-ZDUSSCGKSA-N 402.469 0.696 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCCc2cnn(C)n2)C1=O 814709891 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400.487 0.254 30 20 HCED Cn1cnc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1Cl 1318049666 CQWUMOAXGDRMFK-NSHDSACASA-N 407.839 0.803 30 20 HCED C=CC[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1320437034 QTCAZGUEYQMDSH-GFCCVEGCSA-N 403.439 0.615 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(N=C3NS(=O)(=O)c4ccccc43)cn2)C[C@@H](C)O1 1322157217 KUKMKPAFZXAGDI-BETUJISGSA-N 403.464 0.889 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)NCCS(=O)(=O)N1CCSCC1 1474943596 ZACXTCGJSOUATD-UHFFFAOYSA-N 407.514 0.495 30 20 HCED Cn1ccc(Nc2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1503663070 ZJGAQTPLDPHTKC-GOSISDBHSA-N 413.463 0.843 30 20 HCED C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1539765766 IZYWLYXBMGPEKV-GOEBONIOSA-N 418.523 0.913 30 20 HCED CC(=O)N[C@@](C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1625121243 LACRUZZYAQUKQA-LJQANCHMSA-N 406.508 0.942 30 20 HCED CCCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1765736375 PSDDGVPYYDWZON-CABCVRRESA-N 413.548 0.349 30 20 HCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1779316383 ALGSEOBVMLGDNZ-STXHMFSFSA-N 405.499 0.512 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](CC)NC(C)=O)C2 1779330174 WOCOWFWGCVWMJB-KCXPTXFHSA-N 423.554 0.988 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c1Cl 1780191567 QBRAMJVQPHAHTG-UVFQYZLESA-N 418.881 0.378 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1781271064 XCHLKRUIKURBDI-UTKZUKDTSA-N 423.510 0.631 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)Cn3ccncc3=O)C2)C1)C(F)(F)F 1782663517 BBWQVPXMOJLGNJ-INIZCTEOSA-N 400.357 0.192 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782958682 IFIFTYGVADMOEO-BADMMEFNSA-N 423.491 0.106 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4cccnc4)C[C@@H]32)C1 1783459604 ZRYKKVYDQDRTTM-WDSOQIARSA-N 412.490 0.757 30 20 HCED CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccccc3C#N)C[C@@H]21 1783966742 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C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)OC(C)(C)C)C2 1792484735 MALFHVFPRNJQLW-BBVDOIIUSA-N 421.494 0.166 30 20 HCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1792516604 MYSUMLPTGJRQIJ-BQJWPVKWSA-N 405.495 0.876 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccccc1NC(C)=O)C2 1793346578 GHLHVWZOKPYKHW-REGYPHIPSA-N 413.474 0.887 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)CS(C)(=O)=O 1793366981 ZSWXXKGAKNRRQO-XLMAVXFVSA-N 416.540 0.240 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1793395838 SALHSDZSZPIXOH-RLHXEWSOSA-N 411.499 0.512 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COCC 1795213972 AWLHTIPQWUDKMW-DFGXFYAUSA-N 423.510 0.529 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795682495 ORGWSJPYIDAVNX-IHEQNBGGSA-N 416.522 0.634 30 20 HCED 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PMUUNASAYHXBHE-DNVCBOLYSA-N 423.498 0.626 30 20 HCED COc1ccnc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1812881037 PQJVTBHRFYNNQO-QRWLVFNGSA-N 408.414 0.893 30 20 HCED O=C(CN1C(=O)C=CC1=O)NC[C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1c1cccnc1 1813176423 VHXNYGDTQFQHPV-VGOFRKELSA-N 406.442 0.426 30 20 HCED NC(=O)c1ccccc1C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1823449954 CJTFCDKIERSYTB-JTQLQIEISA-N 412.427 0.556 30 20 HCED C=CC[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN(CCO)CCO)sc2C1 1825329047 NIIOHZJYLQOJTQ-KGLIPLIRSA-N 410.540 0.554 30 20 HCED COc1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n1 1825663562 JSQKMYKHPJSTJE-JTQLQIEISA-N 400.416 0.861 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3F)CCO2)C1 1829532928 BQZNOVQELVTSAP-APPDUMDISA-N 401.435 0.748 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)C1 1829674845 BFRSXIFZDQZQNP-NRFANRHFSA-N 401.463 0.752 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@H]1C1CC1)CCO2 1830497089 XJMBZVCGSUBGLK-WXISONDWSA-N 418.538 0.961 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1831221085 CCAAICJXQULNBJ-OFNKIYASSA-N 412.486 0.460 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1831386238 DJXXELQWHLOOBG-HXTDOEILSA-N 422.522 0.280 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(CC)s3)C2)C1 1831396845 RCDZDOIJBBTCRX-MGPUTAFESA-N 421.519 0.814 30 20 HCED CC(C)N1CCC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)CC1 1832416327 YHYJACDRGUCFKZ-OXQOHEQNSA-N 413.584 0.882 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1 1832446953 NIQPJFZZSBSIBJ-IBGZPJMESA-N 413.540 0.230 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@H](O)N4CCOCC4)CC3)CC2)C1 1833049479 DKMOHERYSTWLHP-QFIPXVFZSA-N 420.554 0.175 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)c1cocn1)CCO2 1834506972 ABFMNKSLJBNDPJ-NRFANRHFSA-N 417.462 0.443 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1834591015 FVPVUZDASZISLY-NRFANRHFSA-N 420.462 0.693 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1 1834602519 ASBZJZIOMBWZKG-HNNXBMFYSA-N 412.556 0.542 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccccc1Cl)CCO2 1835014106 VKHIKFGGPAPWIH-FQEVSTJZSA-N 420.849 0.427 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835272169 RRTLNLWCRIVMPG-JOCHJYFZSA-N 415.490 0.984 30 20 HCED CC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835453794 JUYJOUNJJMYCPM-SFHVURJKSA-N 402.442 0.380 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682688 QYTGZCDXEGPMCX-KKSFZXQISA-N 422.526 0.340 30 20 HCED Cc1cnc2c(C(=O)N3CCO[C@@]4(COCCN(C(=O)C#CC5CC5)C4)C3)cnn2c1 1836945049 YSIUMBCJYGQKTC-JOCHJYFZSA-N 423.473 0.521 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559772 GYMZBDXPOCBDLZ-YKABMDOLSA-N 417.462 0.193 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837690173 MLHCKUHJOVACQQ-DYESRHJHSA-N 401.463 0.279 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1839173104 AFANZBRHWJZDQO-NRFANRHFSA-N 424.494 0.567 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccccn3)C2)C1 1839223891 BIILYACRYPOXFE-UWJYYQICSA-N 418.494 0.881 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CNC(=S)NCC)CCO2 1839655933 XURKUQBOUUYFON-FQEVSTJZSA-N 424.567 0.120 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839840558 ISBGKHZZJWXOFX-SIKLNZKXSA-N 422.570 0.293 30 20 HCED CCC[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840041687 CELKRSRLNHVPEP-DYESRHJHSA-N 417.462 0.374 30 20 HCED C[C@H](Cc1ccco1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840043954 DOYJXORKIUVGFB-QRWLVFNGSA-N 404.419 0.003 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NS(=O)(=O)CC)C1 1841582608 LJVPJACSACYPLO-KBPBESRZSA-N 401.529 0.091 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)C1=NOC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1845960581 QESXXQIQXDALJM-UHFFFAOYSA-N 402.451 0.589 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(CNC(C)=O)ccc1OC 56139828 QJZKPMKIMLNHTB-OAHLLOKOSA-N 416.521 0.695 30 20 HCED CS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 110528287 DYHKNOARBWSXDY-HNNXBMFYSA-N 417.447 0.650 30 20 HCED COc1cc(CN2CC[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)C2)cc(OC)c1 409483334 ICRHHZDCYOTEBE-CRAIPNDOSA-N 410.496 0.337 30 20 HCED CN(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409559915 YUQQUPSCYBRJNB-QGZVFWFLSA-N 407.496 0.325 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCC(=O)N2)cc1 435201448 NHLOHDSQOLJXJF-CQSZACIVSA-N 408.480 0.217 30 20 HCED Cc1conc1NC(=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 435474334 MVLKWGRPERLQIA-UHFFFAOYSA-N 411.397 1.449 30 20 HCED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 440122477 XSIIETZMTRSABE-FQEVSTJZSA-N 419.482 1.267 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 441512395 MMQKTTNIJVPFOT-DLBZAZTESA-N 407.478 1.329 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC1 442279676 YLKAABDCOHXJQT-UHFFFAOYSA-N 420.535 0.709 30 20 HCED Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@H]2CO)cn1 447805363 ITCIHZUIZWECMG-SLFFLAALSA-N 422.489 0.810 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CC2 465426263 WROHMMCPOZCRFW-CYBMUJFWSA-N 419.445 0.909 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCN(S(C)(=O)=O)CC1 469041723 RBOBJUUGOBWYEI-UHFFFAOYSA-N 407.540 0.026 30 20 HCED COc1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)sc1S(N)(=O)=O 471676755 DOEXESYSVKUWOF-UHFFFAOYSA-N 424.508 0.280 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)c1C#N 472082742 JAOWBDXKYCUWDN-MOPGFXCFSA-N 415.542 0.810 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 475733087 JLBLVHUJDACOHI-SJLPKXTDSA-N 402.561 0.802 30 20 HCED COc1ccc(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 479463223 ASTQRXBAHFYTIO-UHFFFAOYSA-N 423.473 0.978 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cc(C#N)ccc1Br)C2 493734623 FZFHJTWPXGZRHL-UHFFFAOYSA-N 419.283 0.783 30 20 HCED Cc1nc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)ccc1C#N 498187240 ITTACLURCHYSDC-OKILXGFUSA-N 407.496 0.374 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)c1 504378062 JOWPYGHORNDPJE-UHFFFAOYSA-N 401.467 0.889 30 20 HCED COc1ccc(-c2noc(CN3CCN(C(=O)NCC(=O)NCC#N)CC3)n2)cc1 511895816 KFPKLWBBXKZWQY-UHFFFAOYSA-N 413.438 0.212 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3CC)c2=O)cn1 512742068 FYFCFBXHPPWITH-UHFFFAOYSA-N 423.502 0.113 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1=O 518959146 HQSIXTMQYVRKOQ-QGZVFWFLSA-N 414.462 0.023 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c1 532606250 BWLOZYGVQZUZIJ-UHFFFAOYSA-N 404.448 0.680 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cnn(-c2ccccc2Br)c1 539649727 SCYOFRQHCMGFOY-UHFFFAOYSA-N 406.240 0.992 30 20 HCED COC(=O)C1(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOCC1 540992138 VEXORYOTOPEZIJ-AWEZNQCLSA-N 402.455 0.538 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1 546969485 KYGKQANCNKITQG-UHFFFAOYSA-N 412.424 0.530 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1 554715328 OSDXFBNXBJJSGP-UHFFFAOYSA-N 408.543 0.631 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)nc1 556026600 QEJQPNIBXYCBMB-UHFFFAOYSA-N 422.441 0.624 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 562834126 KKZFMXBEQRSDDY-UHFFFAOYSA-N 413.459 0.103 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CCN1Cc1ccccc1 568317943 PWWJPEGVLKRFKL-WOIUINJBSA-N 412.490 0.677 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 571207726 FWWMDNWLMPVFKP-KSSFIOAISA-N 413.482 0.895 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)n(CCC#N)n1 572070440 LFOUWHZHGARDFU-CYBMUJFWSA-N 408.484 0.117 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CC(N)=O 578488196 HLSUPYFBBXGIBJ-LLVKDONJSA-N 417.462 0.661 30 20 HCED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 580252206 QWSJUBMBTMASQF-DLBZAZTESA-N 407.492 0.615 30 20 HCED CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 582516560 AXHLBZCROWUSSV-UHFFFAOYSA-N 421.500 0.899 30 20 HCED CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 584308201 VIZWGKXMEUSMKY-KBPBESRZSA-N 417.514 0.454 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCN(C)CC1 586850967 DZNHWSQQCWSWCG-BEFAXECRSA-N 411.506 0.622 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1cccc(C#N)c1 587741195 PVTLQGJRRHPXAX-YOEHRIQHSA-N 404.492 0.762 30 20 HCED Cc1ccc(C(=O)NCc2ccc(CC(N)=O)cc2)cc1S(=O)(=O)NCC#N 589958447 YLMQFLSQEMMKIS-UHFFFAOYSA-N 400.460 0.755 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1nc(N)n[nH]1 590550979 JJVCGUQUSMXDHU-UHFFFAOYSA-N 409.244 1.157 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@]3(C#N)CCSC3)CC2)cc1 603886969 VPJBXDOAPYNYHX-SFHVURJKSA-N 408.549 0.817 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CC(N)=O 608474752 UTAAENJWYMWRTH-ZDUSSCGKSA-N 413.499 0.660 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)cc2)c1N 608924933 BWYKWKHMZBEBAF-UHFFFAOYSA-N 403.402 0.794 30 20 HCED Cn1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 609941266 NTBBNRHPOYGRSO-UHFFFAOYSA-N 410.413 0.886 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 615254141 OXNFAJDPQWGTHR-UHFFFAOYSA-N 415.494 0.678 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 615632141 QEZOOXSWAXUCAX-UZLBHIALSA-N 416.409 0.104 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)c1 618433608 LXWHGISMWXMYSX-UHFFFAOYSA-N 413.499 0.735 30 20 HCED Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C)n1[C@H]1CCS(=O)(=O)C1 648025478 GPXOTGNWFUYKJV-AWEZNQCLSA-N 404.448 0.080 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)C1=O 726042998 IOLZTNXHHHDYSO-OLZOCXBDSA-N 417.418 0.781 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 728573185 TXNSUNQNBBZSSF-UHFFFAOYSA-N 413.522 0.474 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2c(F)cccc2Cl)c1=O 729672751 GSZKRQXLTJSARJ-UHFFFAOYSA-N 411.867 0.774 30 20 HCED CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910467 QBTHGJQQWUYVDX-MSOLQXFVSA-N 417.487 0.488 30 20 HCED C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 733889143 PDDASTDXHYZCBO-WMEZLHQCSA-N 402.498 0.376 30 20 HCED CCOCCCN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)C1 734669639 YVAIGQMGHSYRHX-SMXHQDLGSA-N 407.515 0.949 30 20 HCED C[C@@H](CC(=O)N1CCN(C(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742535551 UTWICAOHIJFZBD-ZDUSSCGKSA-N 407.496 0.330 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1CCOC 743725365 RCNXEWMACZEITP-UHFFFAOYSA-N 419.503 0.504 30 20 HCED CCc1nnc(S)n1CCNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 746302032 KAQBXZLGTQZBIP-UHFFFAOYSA-N 408.509 0.670 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755258378 PTUDEJOOOWYMCC-STEAMIEHSA-N 406.442 0.713 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccnc3ccccc23)c1=O 758049348 AZPGJQZZLWWYFY-UHFFFAOYSA-N 418.478 0.357 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(CCN2CCCC2)CC1 761027886 VTSOWFPDBZOEEW-UHFFFAOYSA-N 403.458 0.907 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1cnn(CC)c1 767884613 SQUBFDOCRKZFMR-UHFFFAOYSA-N 412.500 0.377 30 20 HCED CCn1c(=O)nc(O)c2c(C(=O)NS(=O)(=O)CCCC#N)cc(C3CC3)nc21 776118591 QQSLQYQLIDICTH-UHFFFAOYSA-N 405.436 0.758 30 20 HCED C[C@H](CC(=O)N1CCOC[C@@H]1c1ncon1)/N=C1/NS(=O)(=O)c2ccccc21 778951704 LPKAXFTVRKSCQC-DGCLKSJQSA-N 405.436 0.487 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NC)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 783480768 UOQRLIIRHQINIV-GFCCVEGCSA-N 411.867 0.287 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F)[C@@H]1CCS(=O)(=O)C1 783482031 ZSEHFUUOGDTWSZ-CQSZACIVSA-N 421.450 0.540 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 784450748 CDGSQKKOXYBTBE-UHFFFAOYSA-N 401.467 0.715 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)[C@@H]1CCCO1 787175811 KELPXPHOQWRPCF-HOTGVXAUSA-N 417.462 0.123 30 20 HCED O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 790299041 HTHZPUFAKXCFHP-CQSZACIVSA-N 402.394 0.867 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)CCN1C(=O)CCC1=O 790866903 BYVBPMRVRKXWLT-UHFFFAOYSA-N 403.338 0.921 30 20 HCED CCCCCCC[C@H](CC(=O)O)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 792563610 PWRWSCLSTWZIRL-CQSZACIVSA-N 413.562 0.602 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)CC2(C#N)CC2)s1 793194501 MYXRRQNZJZZCMJ-LBPRGKRZSA-N 417.534 0.959 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CC1 796383592 LSMHQLPNGKUEPG-HSZRJFAPSA-N 409.578 0.656 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2)CC1 798952623 NMFMAYFNCJZOBR-IBGZPJMESA-N 412.490 0.193 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 799288154 WKLPIBXQPPMUSA-SFHVURJKSA-N 400.479 0.180 30 20 HCED NS(=O)(=O)c1ccc(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 800964853 SUEJBLHCBSYCMY-UHFFFAOYSA-N 419.444 0.623 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 805387843 BZJNZBKFXORTAJ-UHFFFAOYSA-N 410.386 0.748 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](CO)Cc2cnn(C)c2)ccc1F 808013039 LUIJSBWDAVZEBC-CQSZACIVSA-N 410.471 0.605 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)C1=O 808222189 LAYSULQHYNSAHA-QZTJIDSGSA-N 412.490 0.539 30 20 HCED CN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C#N)cc2C1=O 816127534 XLYURDLKCPSLBI-UHFFFAOYSA-N 414.355 0.811 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N(CCC#N)CCC#N)cc1 843482425 XHSUXFMUZZNBCU-OAHLLOKOSA-N 406.464 0.861 30 20 HCED CC(C)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 877730119 NBFOHFRAMNSMFP-INIZCTEOSA-N 409.464 0.152 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 914651728 NJUVNHNEAOBAGN-ZFWWWQNUSA-N 405.432 0.076 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1 914764755 MFOHVNFKFMAABV-UHFFFAOYSA-N 401.510 0.046 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 917763571 RPORLLCOZKHHGZ-UHFFFAOYSA-N 403.467 0.802 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 918329265 AEPLHLOOBDLEPV-RDJZCZTQSA-N 417.487 0.100 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1253685438 DMAOQOVSYYPHFH-UHFFFAOYSA-N 419.506 0.394 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 1255183750 CNGTWHPCRQERQQ-UHFFFAOYSA-N 417.285 0.943 30 20 HCED C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(F)(F)F 1317919392 VEJXYWCEHKBBIZ-JTQLQIEISA-N 420.413 0.689 30 20 HCED CCN(CCC#N)S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1322643650 AQYPZQKGANHPIT-UHFFFAOYSA-N 408.546 0.030 30 20 HCED O=C(CSCc1cc(=O)n2ccsc2n1)NCCN/C(O)=C1/N=CC=CC1=O 1322668417 WCIVDTFJBANXDQ-NXVVXOECSA-N 419.488 0.632 30 20 HCED C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1nnnn1C 1346274814 RJBUIJFRLDYBKV-QTVDBSQPSA-N 406.472 0.906 30 20 HCED C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CN(Cc2ccccc2)CCO1 1465344053 QZNXUNUDOKELMX-CRAIPNDOSA-N 411.462 0.616 30 20 HCED Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1503690305 PYEXUDWMCIPTQU-INIZCTEOSA-N 412.479 0.617 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1521114732 JSPOVBNAINCLON-MAUKXSAKSA-N 409.512 0.809 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1539803771 NJEHULCLFDEKAE-CHWSQXEVSA-N 405.908 0.589 30 20 HCED COC(=O)C1(C#N)CCN(S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)CC1 1561563043 VPCCIMMISUYXHY-UHFFFAOYSA-N 400.478 0.699 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)cc1 1648064300 JAZHFHLWYZWXLT-UHFFFAOYSA-N 407.474 0.861 30 20 HCED CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C[C@H]1OC 1698288271 JAUDCAJQSOTSIW-LVCYWYKZSA-N 412.494 0.733 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCS2(=O)=O)C1 1712877055 ZSKRHBWRVLWIIO-PBFPGSCMSA-N 410.475 0.638 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1771537272 LHDDTTOJTFFHQI-HZPDHXFCSA-N 417.491 0.985 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H](O)CN1)CCO2 1779004731 NZTWLIIEPGMJAE-BBTUJRGHSA-N 421.614 0.590 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1779017422 PMVYLPBQTRBXAP-JLDPKJTDSA-N 417.466 0.408 30 20 HCED Cc1nc[nH]c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101489 LIJOSABJGCNCEP-OEPFNZMGSA-N 405.455 0.691 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779390722 AWBBWNXYYMXYCT-HXUWFJFHSA-N 402.499 0.752 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(F)n3)C2)C1 1779486116 JUTHXTXREBOOLI-HXUWFJFHSA-N 403.458 0.946 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)C2)cc1 1779879233 ZVXVQUVLAMBOQO-OAQYLSRUSA-N 420.429 0.204 30 20 HCED 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COCCOCCOCCC(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315620 MKSLSTHUJNASGG-HYARGMPZSA-N 421.494 0.972 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1Cl 1844734426 AACFXVWDEHLJAR-ZDUSSCGKSA-N 415.837 0.627 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c1 1845522137 QGCZOLAXAOITFO-UHFFFAOYSA-N 406.379 0.409 30 20 HCED N#CCCNC(=O)COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 12178840 SRKXJVWFSMMVBH-UHFFFAOYSA-N 404.448 0.421 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCn2nc3n(c2=O)CCCC3)cc1 53989500 TZRVOCSYQGDABU-UHFFFAOYSA-N 417.491 0.374 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1 111225061 ZQPPXZBXIKRUEI-QZTJIDSGSA-N 400.458 0.938 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1=O 410112386 CNZRAJQHNQTDEC-KRWDZBQOSA-N 406.508 0.728 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 428243254 AZMOBQMYIKUWSO-UHFFFAOYSA-N 413.525 0.380 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 430406356 GOABPEWIUDGEGA-QUCCMNQESA-N 420.554 0.631 30 20 HCED Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C#N)nc2)c(C)s1 435209005 AEOOMLLNTVPRGD-UHFFFAOYSA-N 400.507 0.888 30 20 HCED Cn1ccnc1-c1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n[nH]1 435711399 OPRQPDALZOYHHG-AWEZNQCLSA-N 418.417 1.526 30 20 HCED Cc1ccc(NC(=O)[C@H](C)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 436128300 FXWMUSAKHDNLBW-DOTOQJQBSA-N 422.507 0.567 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)C1=O 440283376 OWMXIHZHPOBGIB-MRXNPFEDSA-N 402.499 0.724 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccc(C#N)o2)c1=O 440383655 PSHYEABUAMJKEZ-UHFFFAOYSA-N 406.423 0.973 30 20 HCED CCCc1c(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cnn1-c1cccc(C#N)c1 443756485 VWHVPNUEKVRIAU-AWEZNQCLSA-N 415.475 0.938 30 20 HCED N#Cc1cc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1F 446530500 NBJIKXRCEHREQW-GJZGRUSLSA-N 409.439 0.831 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 447766095 MSCYIRRKHPPGAI-INIZCTEOSA-N 401.510 0.543 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 465125181 APVBBEVRTDYDEP-AWEZNQCLSA-N 411.466 0.640 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 467141248 IHRRWNHIPWMPAS-INMHGKMJSA-N 422.445 1.186 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 473492293 SXLMANDPHKPVOH-ZWKOTPCHSA-N 418.519 0.837 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3C#N)CC2)c1 474286231 QYDFCLMKCRIDCA-UHFFFAOYSA-N 419.463 0.456 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 475480476 PSXIJQYCVSCNHH-UHFFFAOYSA-N 404.467 0.605 30 20 HCED Cc1ccc(C(=O)NCCC(=O)NCc2ccccn2)cc1S(=O)(=O)NCC#N 477808540 MPZCDUAJHZKLCX-UHFFFAOYSA-N 415.475 0.628 30 20 HCED C=CCNc1nnc(S(=O)(=O)CC(=O)N[C@@H](C(=O)NC)c2ccccc2)s1 479019164 WXNBSCNIWKRUGQ-CYBMUJFWSA-N 409.493 0.513 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](COCC2CC2)C1 485577896 LZOPMBMUIXEURS-RHSMWYFYSA-N 407.492 0.879 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)O)CC2)cc1 485935272 RLVCEPNUYVTCDV-UHFFFAOYSA-N 423.491 0.546 30 20 HCED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489254106 JPUKONCLBWBZEW-SMDDNHRTSA-N 412.899 0.774 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCOCC1 490479622 YBUSLJSEYFPAQT-UHFFFAOYSA-N 411.466 0.364 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(CC#N)CC#N)CC2=O)cc1 503656270 RXFUWATWHLCNBY-OAHLLOKOSA-N 417.491 0.946 30 20 HCED COC(=O)[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C(=O)OC)C1 504872796 KIGSNSCLTDYPOW-HZPDHXFCSA-N 422.459 0.426 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(CC#N)CC2)c1 508057520 IOGUQMFLHIUDHG-UHFFFAOYSA-N 421.523 0.115 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(N)=O)C1 508953892 WESDYSJRJUUZJC-ZDUSSCGKSA-N 405.484 0.115 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 509935551 VQDGSHKXSJQZBO-HNNXBMFYSA-N 411.503 0.933 30 20 HCED O=C(NCC#Cc1cccc(F)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 512159760 TZEMRKQVFSAKCJ-UHFFFAOYSA-N 410.471 0.081 30 20 HCED C=CCN(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 516352897 XVYJASUOVISATR-LBPRGKRZSA-N 402.450 0.814 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 517837147 YTLPHBQOIKJNJB-UHFFFAOYSA-N 422.445 0.738 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cnn(CC)c1 522538921 WYYNJTDXEFRQNV-ZDUSSCGKSA-N 410.503 0.967 30 20 HCED CN1CCN(C)[C@H](CNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 523581151 KWSXWHBGWMAMSE-OAHLLOKOSA-N 413.482 0.884 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](N4CCCC4=O)C3)CC2)o1 532981608 KDCULDYGQHXXBW-MRXNPFEDSA-N 400.483 0.590 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 538550165 WDDYWAAKWFABER-UHFFFAOYSA-N 414.459 0.259 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCN(CC(=O)N3CCCC3)CC2)CC1 540298703 WZWXMQCGYJKNJV-HXUWFJFHSA-N 418.586 0.309 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 549278575 BZNWCOXKVJMUER-ZDUSSCGKSA-N 422.515 0.051 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@@H](C)O1 550582132 MXYRZCWYDXNYEL-OKILXGFUSA-N 419.530 0.259 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CCN1Cc1ccccc1 568317941 PWWJPEGVLKRFKL-KNKQGSTJSA-N 412.490 0.677 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1-c1cccc(C)c1 569182029 NHGWFQUGRKQDBN-UHFFFAOYSA-N 406.467 0.860 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(O)(C(F)(F)F)CC2)n1 571068773 OUIASHXHPNFOTF-UHFFFAOYSA-N 408.340 0.993 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3cccs3)C2=O)cc1 571696497 AWWYHBQMORZVTE-HNNXBMFYSA-N 418.500 0.815 30 20 HCED C[C@@H]1CN(C[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 572413077 MQXSTYYRGHSGMB-NUJGCVRESA-N 420.535 0.937 30 20 HCED C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 574466992 CRUWNGAFRAUEOA-OAHLLOKOSA-N 424.461 0.439 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)S1(=O)=O 577991060 NXYVYNQUHAOGSI-CHWSQXEVSA-N 416.463 0.502 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC(=O)N(C)C1=O 583284919 ZDPBALMRGSASLC-LLVKDONJSA-N 410.224 0.972 30 20 HCED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCOC2)O1 587659668 WQWYIEOVUJEVLE-QVKFZJNVSA-N 413.478 0.445 30 20 HCED CCc1ccc(C(=O)N(CC#N)CC(=O)OC)cc1S(=O)(=O)N1CCOCC1 609992494 GGZNAUDAIYDGPJ-UHFFFAOYSA-N 409.464 0.409 30 20 HCED Cc1nc(=NC(=O)c2ccc(CNS(C)(=O)=O)o2)n(-c2ccc(C#N)cc2)[nH]1 610653909 JBPKKSVICDKAHE-UHFFFAOYSA-N 400.420 0.764 30 20 HCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 615630728 DHAHFWXXQBJHAE-PXAZEXFGSA-N 412.443 0.402 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 615632138 QEZOOXSWAXUCAX-OXQOHEQNSA-N 416.409 0.104 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3ccnn3C)c2=O)c1 726580977 JVBZGJYOGFEIKH-UHFFFAOYSA-N 415.478 0.419 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cn1 729030775 GMSUWCBHGQHREJ-NRFANRHFSA-N 422.397 0.727 30 20 HCED COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155475 BWMMTVZIUYZMLJ-ICFOKQHNSA-N 417.813 0.581 30 20 HCED O=C(CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(-n2cccn2)cc1 732459085 NGRUETCUNCFQFU-HNENSFHCSA-N 423.433 0.636 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(-c3ccccc3)c2=O)cn1 732561297 LESDXWICNVGZOU-UHFFFAOYSA-N 423.498 0.381 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)CC1 733149572 LJLFSGHHXWVESU-UHFFFAOYSA-N 410.471 0.095 30 20 HCED C#CCNC(=O)c1ccc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1 741244735 XSBVYEIYXCGQJK-UHFFFAOYSA-N 402.480 0.443 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 743345713 WSCTZMMMHVALJP-UHFFFAOYSA-N 418.288 0.644 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 743992364 IBBBENUESZUTFF-LRDDRELGSA-N 413.409 0.820 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 743993687 TVNJKQAPRXNSRM-WBMJQRKESA-N 413.409 0.820 30 20 HCED CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)NC2CCCC2)cc1 744037761 CQXAPCFHFULHEB-MRXNPFEDSA-N 405.476 0.930 30 20 HCED C=CCn1nnnc1SCC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O 747808964 JTFNGWJHIQIYJB-QGZVFWFLSA-N 417.451 0.458 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cn1cc(S(N)(=O)=O)cn1 748426273 JSUQAJVKDBATNM-LBPRGKRZSA-N 412.493 0.739 30 20 HCED C#CCOCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 753242347 SRKLDTYUIKOPDN-UHFFFAOYSA-N 422.397 0.809 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 753880630 ANDDYGSLSREZPP-CQSZACIVSA-N 422.507 0.240 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1C(N)=O 755551244 LNBGSNRTHVAYQD-WFASDCNBSA-N 415.450 0.908 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cc(F)cc(F)c2)c1=O 758078856 CSYCTPBAKXAHKA-GFCCVEGCSA-N 417.437 0.475 30 20 HCED CS(=O)(=O)c1ccc(N2CCN(Cn3cccc(C#N)c3=O)CC2)c([N+](=O)[O-])c1 758180152 ZKUPOPPMOYUEJZ-UHFFFAOYSA-N 417.447 0.811 30 20 HCED C#CCNC(=O)C1CCN(CN2C(=O)CN(c3cccc(C(=O)OC)c3)C2=O)CC1 759730952 JKVPYPFTFMPZKJ-UHFFFAOYSA-N 412.446 0.661 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 760684571 FXRLWZUHXSJRKY-CQSZACIVSA-N 417.447 0.063 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 761033457 XALKENICWQMGTI-UHFFFAOYSA-N 415.313 0.473 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1 761036209 DYYMNCPADAPEEV-UHFFFAOYSA-N 404.492 0.148 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 762185229 MLCPPCSMOCXGGR-UHFFFAOYSA-N 419.463 0.899 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C)OCCO2)cc1 774399608 QBRYAZWGXBPQPK-QNGOZBTKSA-N 424.479 0.317 30 20 HCED CCN1CCC(n2nccc2NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 775136040 LZXYROCMANRKFE-UHFFFAOYSA-N 410.482 0.973 30 20 HCED COCC[C@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(N)=O 775986537 LZTYXTWKLFRAKQ-OOJJEUIESA-N 411.484 0.511 30 20 HCED Cn1nc(C(=O)N2CCN(CCOC(=O)c3cccc(F)c3C#N)CC2)ccc1=O 778632651 UGGSISUXMLIXQM-UHFFFAOYSA-N 413.409 0.406 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)cc1 779195323 WLGRHKWQRJMXAK-MRXNPFEDSA-N 418.475 0.923 30 20 HCED COC(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 781449139 RMXOUVNWTCPAPJ-UHFFFAOYSA-N 400.370 0.732 30 20 HCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)cc2)CC1 782129177 GGHZXYTXDPXLIP-UHFFFAOYSA-N 420.473 0.525 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 782517935 INOCNZPLMOFDNJ-LBPRGKRZSA-N 413.481 0.411 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 782905359 INGCMIPFXOHKEA-JKSUJKDBSA-N 420.487 0.832 30 20 HCED Cc1nc(Cn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)no1 784085228 TZMDPNHMBIIROQ-LBPRGKRZSA-N 402.415 0.603 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCOC[C@H]1c1noc(COC)n1 785335842 XVQKSDNJSCCHFZ-AWEZNQCLSA-N 400.391 0.767 30 20 HCED C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)C(=O)NCCNc1ncccc1C#N 787755206 JZAKSVXOQGBIAW-ZDUSSCGKSA-N 404.471 0.853 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)n1 789794338 AGGSDJNJJHVQPK-UHFFFAOYSA-N 400.460 0.833 30 20 HCED C#C[C@H](NC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)N[C@H](C#C)[C@@H]1CCCO1)[C@@H]1CCCO1 791138652 GWNKBEBSLVVFCZ-NBUKQQEXSA-N 414.502 0.812 30 20 HCED COCCOC(=O)c1c(NC(=O)[C@H](C)n2cnc(C#N)n2)sc(C(N)=O)c1C 798365050 QQMKUOXKNJGVJT-VIFPVBQESA-N 406.424 0.622 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 799257776 JQPGISZCJVDART-INIZCTEOSA-N 423.491 0.260 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 804011085 CDRXRJFTTDHNGK-SFHVURJKSA-N 413.478 0.549 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3COC4(CCCC4)O3)CC2)nc1 804401388 JQXHAGGQKUHNSH-QGZVFWFLSA-N 413.478 0.840 30 20 HCED CCS(=O)(=O)CCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 804548015 QLDXEGZWRXHVCQ-UHFFFAOYSA-N 406.508 0.143 30 20 HCED C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C(=O)NC1CCN(CC#N)CC1 805062830 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CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ocnc3C)CCO2)C1 1834368056 JHEKXKZHKXUJGQ-BEFAXECRSA-N 408.455 0.854 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncs3)CCO2)C1 1834467180 ZCBGRYZYQZHJJA-LJQANCHMSA-N 421.523 0.495 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)Cc4cccnc4)CC3)CC2)CC1 1834599538 FDELPMAVWYJZEL-FQEVSTJZSA-N 424.549 0.827 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN3CCCC3=O)CC2)CC1 1834624640 HKNTYJCVXHWVGH-QGZVFWFLSA-N 420.554 0.772 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CC(C)(C)C)CCO2 1834775808 DNIYPWQHOSBTLD-NGXITPROSA-N 407.511 0.737 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1835099639 OMUSQFDUOGORLW-JOCHJYFZSA-N 406.442 0.598 30 20 HCED CC(C)N[C@@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)C(C)C 1835342495 DNUHAJZDHDSOKP-UTKZUKDTSA-N 406.527 0.769 30 20 HCED C[C@@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1835525783 PZEJNKRZWCPACI-UTXAPGEGSA-N 421.519 0.538 30 20 HCED CNC(=S)NCCC(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835737363 MCJACVVRDOPZTL-UHFFFAOYSA-N 419.595 0.455 30 20 HCED Cc1nc(F)ccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1836030522 JXCFVGHRFKXOIW-UHFFFAOYSA-N 416.453 0.802 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1836864783 MTNJYVZHCOQNFN-HNNXBMFYSA-N 406.487 0.263 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837253656 NPMBNRRQDAXGCV-FCDDRNRXSA-N 405.495 0.490 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1837396900 KQZBNMMKJMECHR-LAUBAEHRSA-N 420.510 0.615 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(Cl)nn1)CCO2 1837832685 GAPYWVZKEWCLRI-LJQANCHMSA-N 404.854 0.613 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cnnn3)CC2)CC1 1837967924 DVXJKSCCWIVIFK-OAHLLOKOSA-N 421.502 0.473 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838774030 JWPRYCQAHPABHN-SFHVURJKSA-N 421.494 0.378 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)s1)CCO2 1839035640 ZZERDUGMSGKURN-IBGZPJMESA-N 406.460 0.167 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)c(N(C)C)c(F)c1)CCO2 1839469636 XGICWABSTUZEFB-FQEVSTJZSA-N 407.417 0.734 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1839762663 YPVCWHMTTKMPEZ-JXFKEZNVSA-N 408.495 0.998 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Br)cn3)C2)C1 1839808773 ADRRJPHQFLPFJY-KRWDZBQOSA-N 408.252 0.547 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1840292451 QLWZNOODOBZGKY-OAQYLSRUSA-N 405.495 0.259 30 20 HCED C[C@@H](O)[C@H](NC(=O)c1ccccc1)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841136120 SCLNOHOCRXOQQK-WBVHZDCISA-N 412.490 0.919 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@@H]1CC[C@@H]3CCC(=O)N3C1)C2 1842920632 IXHYREPXUVXLBN-IAGOWNOFSA-N 415.538 0.873 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1844235220 RJCMZWVPFXYMQL-KBPBESRZSA-N 401.529 0.091 30 20 HCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)CC1 1847446081 JERPQMWPEVURTK-KBPBESRZSA-N 422.482 0.040 30 20 HCED CCOC(=O)c1c(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)c[nH]c1C 1847663386 OOJIFSBQKASTQJ-HOTGVXAUSA-N 415.446 0.722 30 20 HCED C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 19058024 MJKODBUJVDRNDW-UHFFFAOYSA-N 406.464 0.049 30 20 HCED CN(CC(=O)N1CCN(c2cc(C#N)ccn2)CC1)S(=O)(=O)c1cccnc1 45079633 PKKZYWMMFMUPET-UHFFFAOYSA-N 400.464 0.318 30 20 HCED CCOC(=O)c1nnsc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 106102091 WHMAWGJKAUTMAN-UHFFFAOYSA-N 409.449 0.846 30 20 HCED CN(CCC#N)S(=O)(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 142763252 ZVRNTAVFBNDCPA-UHFFFAOYSA-N 400.526 0.767 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CCC(=O)Nc2ccccc2[N+](=O)[O-])c1=O 409858304 JZCOSEGQBPZCKW-UHFFFAOYSA-N 401.379 0.481 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)nn1CCC#N 441158723 SEUZHFPRWNOTPJ-RTBURBONSA-N 424.505 1.043 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)C(C)C)C1=O 442777858 FARCZFZJPPIYRC-ZNMIVQPWSA-N 410.515 0.944 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cn1 460718625 SLDYBMWQFCENKY-HNNXBMFYSA-N 409.450 0.258 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 468404996 HJZGIWLMIWOTMU-CVEARBPZSA-N 404.492 0.683 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cc3c(C)nc4cc(O)nn4c3C)CC2)c1C#N 472750820 LIOCAKXGFMLGND-UHFFFAOYSA-N 408.466 0.857 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)c1C#N 472872315 RDEYPPNTNOLFJJ-UHFFFAOYSA-N 423.433 0.218 30 20 HCED CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc(OC)n2)c1=O 479376627 IRKYJLDPMSYNQK-UHFFFAOYSA-N 400.504 0.999 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OC(F)F)c1=O 480288671 MGPNJCWWYBDFCH-UHFFFAOYSA-N 423.441 0.797 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cn1 481973205 LTTDDUZLNQPECY-UHFFFAOYSA-N 402.432 0.992 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482182922 QRFOENOKNPEZGD-JKSUJKDBSA-N 407.540 0.367 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC2CCOCC2)CC1 482212232 QESIMTGWHXBWQQ-INIZCTEOSA-N 420.535 0.796 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCC[C@H](N(C)C)C3)CC2)c1C#N 483430886 OSNRXDDMCYFORU-HOTGVXAUSA-N 401.515 0.238 30 20 HCED C[C@H]1OCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1C 483511395 RSQBMWHLNCEOOF-HZPDHXFCSA-N 406.508 0.500 30 20 HCED Cc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1S(=O)(=O)NCC#N 488877889 OTJIBWIGSSLPGY-MRXNPFEDSA-N 406.508 0.591 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 490354484 QRMKPJMXAQFPSW-UHFFFAOYSA-N 405.842 0.346 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](CNS(N)(=O)=O)C2)c(OC)c1 500328066 XBLFJUVUCSTZEU-SJORKVTESA-N 413.540 0.669 30 20 HCED COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc1 506532714 GKCIMRADDFDZNI-UHFFFAOYSA-N 404.398 0.772 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)c3ccc(C#N)cc3)CC2)c1C#N 516792311 FJEMONNSQLJVSQ-AWEZNQCLSA-N 405.462 0.998 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 525391862 DUWVEXOURJLLKA-GJZGRUSLSA-N 413.521 0.883 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 532582141 KKUJSEBOCLCPEJ-QZTJIDSGSA-N 417.510 0.755 30 20 HCED C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 533668145 UWPGMOKAJZIVNL-CQSZACIVSA-N 424.523 0.793 30 20 HCED CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 534098571 PIEFPZORXKRWHX-CZUORRHYSA-N 408.480 0.594 30 20 HCED N#CCCN(CCC#N)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 534835275 OKWLPSSKNHIEDV-UHFFFAOYSA-N 419.507 0.453 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2 537445372 BQHFRZWUMVKDPQ-UHFFFAOYSA-N 402.451 0.815 30 20 HCED COC(=O)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cccc(O)c1 540510268 YAJVTSMGYQANOB-SJCJKPOMSA-N 417.443 0.961 30 20 HCED C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 540755265 LNUJLVNLJGHGRA-INIZCTEOSA-N 406.483 0.679 30 20 HCED COc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1[N+](=O)[O-] 544864215 WHAXTVVVKURBTR-UHFFFAOYSA-N 424.417 0.949 30 20 HCED Cc1cc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)n(CCC#N)n1 546037429 DUKLRBVRMUOLQL-UHFFFAOYSA-N 418.479 0.724 30 20 HCED CC(C)(C#N)CCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 550106623 OURUZOATLPPPOB-UHFFFAOYSA-N 414.509 0.489 30 20 HCED N#Cc1cc(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cnc1C(F)(F)F 559879195 VAJHZCQTDZVVQW-CQSZACIVSA-N 411.384 0.635 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 560183329 ADWOSAGVIYWQMD-UHFFFAOYSA-N 410.434 0.661 30 20 HCED CCNC(=O)CN1CCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 572464628 QZMUTPUJLQHXPO-UHFFFAOYSA-N 402.499 0.742 30 20 HCED N#Cc1ccncc1N1CCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 573423426 SVTVARHYHWYKQH-UHFFFAOYSA-N 414.491 0.751 30 20 HCED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 576143788 ARELARNKOMXSTM-QPUJVOFHSA-N 400.254 0.809 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)c1C#N 578824057 VQRWZIUXLFVVLM-RRCSTGOVSA-N 415.475 0.134 30 20 HCED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583889594 RDIQAYLJQQIZRJ-GOSISDBHSA-N 413.455 0.963 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)cn1 587658450 ADUYVIVOWMKKAN-UHFFFAOYSA-N 422.493 0.121 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C 592994078 ZSZURORRDCCLTH-UHFFFAOYSA-N 412.450 0.194 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)N1CCO[C@H](C#N)C1 609282864 ZJWIXQBXPODMAU-OAHLLOKOSA-N 420.491 0.357 30 20 HCED N#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 609337432 HJPKALWQUOCDBT-UHFFFAOYSA-N 408.480 0.230 30 20 HCED CC(C)[C@@H](C#N)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 609484509 CJKJWTCIZNVWCY-GOSISDBHSA-N 407.540 0.158 30 20 HCED CCOC(=O)c1c(NC(=O)CN2CCN(CCC#N)CC2)sc(C(N)=O)c1C 611173571 ARFKXFRNEDYMSE-UHFFFAOYSA-N 407.496 0.802 30 20 HCED CC(=O)N(C)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 615050424 DBYOFNZATJAGGP-UHFFFAOYSA-N 401.467 0.682 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 672510026 SEBKITQQOSAKJI-RDJZCZTQSA-N 409.508 0.796 30 20 HCED COc1ccnc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 729425186 VNJPMKONXDJVCA-UHFFFAOYSA-N 415.475 0.478 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732466033 JQLPPFXFZAXVSD-VHEBQXMUSA-N 411.462 0.989 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1c(Cl)nc2sccn12 735082832 RDYCNVPHHTTZBB-LUAWRHEFSA-N 401.857 0.854 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1CCOC 742142893 BOBXVUCFYQZBJF-UHFFFAOYSA-N 415.515 0.732 30 20 HCED C[C@H](C(=O)OCC(=O)NCc1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442892 LYRQSEVNZIRFCH-KHORDMKYSA-N 411.414 0.269 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](Cc1ccccc1)CN1CCOCC1 746249949 MCRQGNCAYGKUKV-KHOFPDMRSA-N 412.490 0.963 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 746993323 RTHWEMKMRWMIDF-VIFPVBQESA-N 401.379 0.389 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)CC1 759012016 KXYMNFRNFBEHJN-UHFFFAOYSA-N 405.520 0.604 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CCO)C1CCOCC1 764405920 YOIYFTOIMZYXKR-INIZCTEOSA-N 409.508 0.799 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@H](CC)N(C(C)=O)C[C@H]1CC)c1cc[nH]n1 772337238 GHLGMSDGPYJPBS-LSDHHAIUSA-N 407.471 0.941 30 20 HCED C#C[C@@H](C)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 775388577 URJZXRXKYACZTF-BXUZGUMPSA-N 406.913 0.560 30 20 HCED C#CCCN1CCN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 776592579 JPRUSEYBSFWXIO-MRXNPFEDSA-N 422.551 0.913 30 20 HCED C#CCCN1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)CC1 776593399 WAQWZDAVGGPOIR-UHFFFAOYSA-N 404.515 0.325 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 780649967 ZEMDYGBDIMOJHZ-UHFFFAOYSA-N 410.459 0.930 30 20 HCED 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NDQGVZGAXGWBNH-IYHCKTHZSA-N 416.482 0.018 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ncn(C)n3)CC2)CC1 1834089072 QIYVSJHCUUGQJQ-OAHLLOKOSA-N 419.530 0.801 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(F)F)CCO3)c1 1834916178 ZXANMALTTMQUGS-IBGZPJMESA-N 409.389 0.902 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1 1835096950 MDTOESMLUBDTHM-JOCHJYFZSA-N 408.458 0.391 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1835358549 FYYBMPTUCSECIY-OAQYLSRUSA-N 424.461 0.641 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4cccnc4)[nH]n3)C2)C1 1835360385 ZRRRRCOXXZOJPF-NRFANRHFSA-N 424.461 0.845 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C[C@@H](N)c3cccnc3)CCO2)C1 1835823807 BOZXXKSGUMURIQ-DYESRHJHSA-N 415.494 0.478 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835985384 MPNWNVCUXDMHAW-QUCCMNQESA-N 424.567 0.764 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCC(OC2CCN(C(=O)C(O)O)CC2)CC1 1836633550 SXURIAREBASIBB-UHFFFAOYSA-N 417.462 0.246 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1837396933 OYPJQBLXOGQHMC-JXFKEZNVSA-N 404.467 0.120 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(F)(F)F)C2)C1 1837397815 VUVSNRIGDNVKLA-GUYCJALGSA-N 408.417 0.968 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837444004 OPIVXAFFYXXKOJ-SFRQHRMHSA-N 424.542 0.728 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4C(=O)C=CC4=O)CC3)CC2)CC1 1837792308 BIVRDPMMRYSFOK-UHFFFAOYSA-N 414.462 0.214 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838369746 USIWZISVLYFDMQ-JOCHJYFZSA-N 422.441 0.304 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)COCc3ccc(C)c(C)c3)C2)C1 1839808080 JWCXAZGMQGMDBJ-JOCHJYFZSA-N 400.475 0.910 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273425 UXFMTPOEEPDJNZ-TXTJOAKRSA-N 414.568 0.948 30 20 HCED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)C(=O)O 1840836675 NJOXGCAQYFIWTD-DAKPFUFHSA-N 412.442 0.525 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842840204 XOIMPOJTHBZBPY-KNGGAZFVSA-N 408.499 0.441 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 52716445 ZRONKHLYFYWVLO-AWEZNQCLSA-N 410.496 0.274 30 20 HCED COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1 78283537 OXWCBZKPNXELFY-OLZOCXBDSA-N 402.381 0.824 30 20 HCED C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN([C@H](C#N)c2ccccc2)CC1 255954177 PMHIOHULKRPDQJ-NZSAHSFTSA-N 404.536 0.903 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CCO1 409533117 GUZOOOSQCLECPB-OAHLLOKOSA-N 422.463 0.535 30 20 HCED CC(C)OC[C@H](CO)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 433661640 QCIUQAFMNSCFBZ-ZDUSSCGKSA-N 403.414 1.066 30 20 HCED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435831889 WMWDSKOPNXGASV-OAHLLOKOSA-N 415.450 0.137 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)C1=O 440252395 FDEYBVADTFCLGW-OAHLLOKOSA-N 402.451 0.757 30 20 HCED CC#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 440711755 OQYGUYLYOLKOBA-HUUCEWRRSA-N 407.492 0.953 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H](CO)C(C)(C)C 441065214 QMORZFMJIWJJIR-SFHVURJKSA-N 422.551 0.730 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3CN3CCOCC3)CC2)o1 444234833 FPDRENPLVCGRTA-KRWDZBQOSA-N 402.499 0.300 30 20 HCED C[C@H](NC(=O)c1cc(-c2cccc(C#N)c2)no1)C(=O)N1CCS(=O)(=O)CC1 447473837 VKAKBTIYXZIDIE-LBPRGKRZSA-N 402.432 0.589 30 20 HCED CO[C@H]1C[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)N(S(C)(=O)=O)C1 447537441 VYVPKUMCVVTBLB-SWLSCSKDSA-N 407.427 0.870 30 20 HCED COCCN(C(=O)CN1CCC[C@]2(CCCCO2)[C@H]1C#N)[C@@H]1CCS(=O)(=O)C1 447915930 NTINNTUACYSZSA-ZHALLVOQSA-N 413.540 0.576 30 20 HCED Cn1cnc2c1c(=O)n(CCCN1CCC[C@@]3(CCCCO3)[C@@H]1C#N)c(=O)n2C 447919961 WGUNEVGTMYQQBN-YWZLYKJASA-N 400.483 0.751 30 20 HCED Cc1nc([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)n[nH]1 460714439 CQBGWLOROAKSOH-CQSZACIVSA-N 405.422 0.910 30 20 HCED COC(=O)CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)OC 470685656 ZZJGTGUDPBCMBJ-ZDUSSCGKSA-N 411.436 0.022 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 472032648 STTBIKZJNRKANI-FXAWDEMLSA-N 411.506 0.926 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 472032650 STTBIKZJNRKANI-XLIONFOSSA-N 411.506 0.926 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)CC2 472072729 JPHBAIIOKUWPCU-CQSZACIVSA-N 413.486 0.185 30 20 HCED CN(CCC#N)C(=O)CCS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 479027392 UQYLXLPAPAPOTR-UHFFFAOYSA-N 417.509 0.741 30 20 HCED CN(CC(=O)NC[C@@H]1CCCN(CC#N)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 479894973 GSKZMXDJMGZQQQ-AWEZNQCLSA-N 409.468 0.567 30 20 HCED COC[C@@](C)(CC(=O)OC)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 487994507 YJXGAXMQAOMQAH-FOIQADDNSA-N 416.434 0.848 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 502109577 LMJYKIOQZMDWNQ-ZDUSSCGKSA-N 410.473 0.958 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 502380460 PYFWRCXSHBPCBT-GOSISDBHSA-N 406.508 0.301 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C 505710486 IRGWPVLJBAOCFT-UHFFFAOYSA-N 407.293 0.632 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccccc3OCCO)CC2)c1 506155987 NHUPITIJBJWZAD-UHFFFAOYSA-N 409.446 0.289 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508861849 FBWMNWMFZWYEOJ-MRXNPFEDSA-N 414.514 0.234 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2(c3ccc(F)cc3)CCC2)CC1 516169769 ZUGOGZNCJWJRKL-UHFFFAOYSA-N 416.497 0.810 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C1CCN(C)CC1 516827474 QNHGETXJAZEPJF-UHFFFAOYSA-N 411.531 0.599 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 522649154 XNSKZIDNULALPG-HNNXBMFYSA-N 423.539 0.113 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1Cl 525686904 RPERBKLRJAFKSF-UHFFFAOYSA-N 419.890 0.785 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1Cc1ccon1 532620608 XOGRGSWCINMAFK-UHFFFAOYSA-N 418.837 0.988 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC)C2)nn1 545147352 ATAZCRWOIDIRHG-ZDUSSCGKSA-N 412.406 0.747 30 20 HCED COc1cc(C#N)ccc1NC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 547417784 YQIAXAXLFCBJRS-OAHLLOKOSA-N 401.467 0.964 30 20 HCED C=CCOc1ccc(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)cc1 554253391 JEVGAOGBODSUBV-UHFFFAOYSA-N 414.466 0.423 30 20 HCED CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 555964792 PWASLSZUIJCDJB-LBPRGKRZSA-N 411.466 1.090 30 20 HCED COCCCN(CCOC)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 558057735 UHKRCAYIFQEWPU-GOSISDBHSA-N 416.478 0.681 30 20 HCED CC(CNS(=O)(=O)c1ccc(C#N)nc1)CNS(=O)(=O)c1ccc(C#N)nc1 559158598 XBECRTJFXJLCSK-UHFFFAOYSA-N 420.476 0.113 30 20 HCED COCc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccc1F 561483633 YVBKGZHPSHUOLL-UHFFFAOYSA-N 402.430 0.856 30 20 HCED CCNC(=O)c1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 562070787 OYANHGZQCSPVGB-UHFFFAOYSA-N 400.460 0.903 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2CC)C1=O 577663289 TVCXTLBMNVSTMW-INMHGKMJSA-N 403.483 0.612 30 20 HCED N#Cc1ccc(CS(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 603640633 PMQBAWVDIUNJEE-UHFFFAOYSA-N 420.516 0.858 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)s3)cc2)c1N 608924835 OVKFJWPOSZBNFN-UHFFFAOYSA-N 402.461 0.965 30 20 HCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 609955380 ZBKDFXNVZMBWDX-INIZCTEOSA-N 415.450 0.161 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)N3CCCCC3)CC2)CC1 611370918 AWDUZOZBWAHHPQ-LJQANCHMSA-N 404.559 0.902 30 20 HCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc12 612850117 PVKPQFURCPOQFB-UHFFFAOYSA-N 404.434 0.831 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2F)c1=O 619695162 NTJYNGMSYPDVRQ-UHFFFAOYSA-N 419.478 0.733 30 20 HCED COCC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 726301355 UCRRNLUARLHXJI-QIAIEURZSA-N 410.496 0.979 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)c1 726581459 XCCRXXZXNAHXMK-UHFFFAOYSA-N 417.494 0.641 30 20 HCED COC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728539314 WHVDABJIZRRUSO-CABCVRRESA-N 423.491 0.540 30 20 HCED COCCN1C[C@@H](C(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1=O 729069095 COIFSJDASCOXEO-GOEBONIOSA-N 400.435 0.531 30 20 HCED C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCC#N 729358315 OXWZGUMLMNULTE-CYBMUJFWSA-N 406.464 0.809 30 20 HCED N#Cc1cnn(CCOC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1N 729807937 ACHIQDSUFUWEPK-CQSZACIVSA-N 403.464 0.981 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(-c3c(F)cccc3F)o2)c(=O)n1CC(N)=O 734474828 JSGPBYJJLVZYHP-UHFFFAOYSA-N 412.377 0.960 30 20 HCED CCOCCCN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H](C)C1 734669635 YVAIGQMGHSYRHX-CSIMIJJJSA-N 407.515 0.949 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2Br)CC1 735923805 YDZPTHLTDQATSX-UHFFFAOYSA-N 414.325 0.895 30 20 HCED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCC1 736838890 IYIRACCLDHTOHE-UHFFFAOYSA-N 405.476 0.898 30 20 HCED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(CC#N)CC2)c1 744551586 NBURPBSUYXQRDH-UHFFFAOYSA-N 400.888 0.546 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)C2CC2)cc1 749696579 RVSKVINFVPAJJO-MOLDEKSUSA-N 408.480 0.325 30 20 HCED CN(CC(=O)NS(=O)(=O)Cc1cccc(C#N)c1)S(=O)(=O)c1cccnc1 750421216 QGZXWRWGPRQECA-UHFFFAOYSA-N 408.461 0.220 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)COc2ccc(S(N)(=O)=O)cc2)C1=O 751658275 QMIUYAMBHFGPCK-AWEZNQCLSA-N 421.456 0.995 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 757593137 XSFNQAPUSFYHNB-HUUCEWRRSA-N 414.528 0.923 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2F)c1=O 758090335 QBEONCTVJPIBTR-UHFFFAOYSA-N 413.499 0.761 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758775613 KCHWTBIKPCYVNO-BFHYXJOUSA-N 415.516 0.469 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1 761025565 VKCGIQOMYDYEIT-UHFFFAOYSA-N 416.503 0.898 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCOCC2)CC1 765698216 MGFHSACJTYFHDD-UHFFFAOYSA-N 406.508 0.486 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1 766469420 CKALBPFHCKUCFV-UHFFFAOYSA-N 416.525 0.460 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(-c3ccccc3F)o2)c(=O)n(C)c1=O 771896657 FZXWIXRQAYCTNY-UHFFFAOYSA-N 406.395 0.796 30 20 HCED CCCCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 773348199 HBJDWVMMTRUIGW-WUKNDPDISA-N 401.423 0.842 30 20 HCED Cn1cc(-n2cc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)ccc2=O)cn1 781592424 UJOMKMMZVMPSPT-UHFFFAOYSA-N 401.379 0.700 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 783010512 BFCGJTBNFUPDEM-GOSISDBHSA-N 422.551 0.784 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 783479998 HXOBWHWRMOCDFX-OAHLLOKOSA-N 423.466 0.250 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCC(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 783481926 ZGIGXVSXLFTYHM-OAHLLOKOSA-N 422.459 0.216 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 783547070 VIOKSEZRVPHEDD-CQSZACIVSA-N 418.512 0.943 30 20 HCED C[C@@H](CN(C)S(C)(=O)=O)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 786620264 ZOVRTHWLEULATA-NEPJUHHUSA-N 417.509 0.327 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 787791497 SRRBWUWTIBYHLH-AWEZNQCLSA-N 413.869 0.925 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)O[C@@H]2CCN(CC(F)(F)F)C2=O)c1 795327321 MWBHQCLKELXMSN-GFCCVEGCSA-N 405.354 0.543 30 20 HCED CCCn1c(O)nc2cc(S(=O)(=O)NC(=O)[C@@H](C)n3cnc(C#N)n3)ccc21 798814531 WJMPMIUOMZGBFA-SNVBAGLBSA-N 403.424 0.681 30 20 HCED COC(=O)[C@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(C#N)cc1 803861508 WBGDYPXRHGQBMF-OAHLLOKOSA-N 405.388 0.184 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 804388668 ZCEUAOPQLPHLFQ-JTQLQIEISA-N 404.286 0.797 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cnc(C#N)n1 804621430 VKTPBLOANABZIW-AWEZNQCLSA-N 415.479 0.419 30 20 HCED COCCNC(=O)c1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 806626540 ACXZYARBHJWYFU-VLGSPTGOSA-N 401.423 0.711 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCCC#N)CC2)c1 812617052 AZGNQVFSBFYOSE-UHFFFAOYSA-N 421.475 0.959 30 20 HCED C=CCOc1ccc(/C=C\C(=O)NS(=O)(=O)N2CCN(C(C)=O)CC2)cc1OC 813944732 XPCIMTKEDYEYMN-VURMDHGXSA-N 423.491 0.798 30 20 HCED Cn1cnn(CCC(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1=O 815915004 AGRJDQFIVFXDLE-INIZCTEOSA-N 422.449 0.266 30 20 HCED N#CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 825443731 KKRIEYZHJJJBTB-UHFFFAOYSA-N 415.418 0.939 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(=O)Nc1cccc(C#N)c1 914652244 VFOGLYICRAIDNN-BJJXKVORSA-N 419.459 0.464 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)cc1 917879496 CQSGCWSMVSNJNR-UHFFFAOYSA-N 409.493 0.594 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)CSC1=O 918335364 GSNBKTBRTLILGS-UHFFFAOYSA-N 410.477 0.317 30 20 HCED CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc(C(N)=O)n(C)c1 918478664 LPPDGQGUGBMDOO-MRXNPFEDSA-N 404.448 0.904 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 918613760 XAWXNELUULKRCX-SBGWBMIRSA-N 407.452 0.426 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)CN2CCCS2(=O)=O)cc1 919359706 LJADIWUVMGQNJD-UHFFFAOYSA-N 409.464 0.911 30 20 HCED C=CCCO[C@H](C)C(=O)N1CCN(C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1073546835 QXJJOISEIBTIMS-AZQPHWPRSA-N 403.523 0.746 30 20 HCED C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1c1cn(C)cn1 1130630596 PPEASBJPMIMWLQ-HROONELDSA-N 404.511 0.558 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)c1 1136041298 WKBGVZFKQBIILF-KRWDZBQOSA-N 404.430 0.743 30 20 HCED Cc1nc(-c2ncccn2)sc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 1263290410 OXEPQQZRLARFLM-NSHDSACASA-N 405.461 0.488 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)C1 1302979358 IHQPPCFFJZFHID-GOSISDBHSA-N 424.502 0.781 30 20 HCED CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1314558217 RULLBYIWJZRPDI-UHFFFAOYSA-N 403.512 0.943 30 20 HCED COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318158536 VIBUSMHNVCPLQT-OCCSQVGLSA-N 402.407 0.315 30 20 HCED COCCn1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1=O 1319277687 FVMHYBVPXXRBJZ-CYBMUJFWSA-N 418.475 0.951 30 20 HCED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCNC2=O)C1 1330167346 QZNVOEHWQRTTGU-LSDHHAIUSA-N 408.528 0.750 30 20 HCED N#Cc1cn(CCNC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c(=O)nc1O 1470361230 PJWIJQVKRKPZLQ-UHFFFAOYSA-N 423.473 0.808 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)C1 1519531083 RFOMNOLFDKJAFC-JKSUJKDBSA-N 408.528 0.803 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1565166327 NPSPSDUOJCEANL-STQMWFEESA-N 405.430 0.595 30 20 HCED CN(C)CC(=O)N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1623692437 KHQSPEWPOZRZLS-UHFFFAOYSA-N 409.284 0.932 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC[C@@H]21 1641510382 HAHVCDBTJGERBG-JSGCOSHPSA-N 403.439 0.678 30 20 HCED CCC[C@H](C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1695056032 IWXOUTCYPRVFOR-GOEBONIOSA-N 400.487 0.960 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1723622153 SDITXFJJRQIFJJ-HNNXBMFYSA-N 403.487 0.548 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1741131822 VGFIGTUJIPFKFO-CZUORRHYSA-N 411.466 0.737 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1741801250 ZGHUORIJZOQOOB-UONOGXRCSA-N 404.500 0.897 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749267446 STHZJQNSWOKMDJ-KBPBESRZSA-N 408.890 0.809 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2 1779065532 WRWPZTIGQREFRZ-HXUWFJFHSA-N 403.435 0.522 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779201539 QUOOAZUTQCSVNV-PTSWNOGYSA-N 422.482 0.259 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCOCC2)C3)c1 1780178000 QPJCSNRYDJQNFC-WIYYLYMNSA-N 415.494 0.346 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1Cl 1780188472 YCFDLHZEBGZBJS-LIRRHRJNSA-N 418.837 0.764 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780597233 NCXZTOHZMFEHFT-KKSFZXQISA-N 408.462 0.930 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1781267920 ARTQPQNTRAUVFD-NRFANRHFSA-N 417.462 0.188 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)c1 1781321020 ZCDATPWGKMFCCR-IERDGZPVSA-N 401.463 0.766 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@](C)(O)CN1C(=O)OC(C)(C)C)CCO2 1783055993 JOXHEVYDYVVJND-IWMITWMQSA-N 421.494 0.210 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(S(C)(=O)=O)c3)CCO2)C1 1783888438 JRKOGVISZAJYTK-FZKQIMNGSA-N 412.533 0.852 30 20 HCED CC(=O)NC(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1784526800 FEMYFRODAAUJLM-UFYCRDLUSA-N 411.502 0.933 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785494818 VHXHWJVRDGKAAI-UBDQQSCGSA-N 404.467 0.714 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)nn3C)[C@H]2C1 1786027313 GFPUOKWZOVAUPF-LAQRGFTBSA-N 404.511 0.895 30 20 HCED C[C@@H]1Oc2ccc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)cc2NC1=O 1786367182 DXEKKAOGPZKVMK-OWCBBSPXSA-N 412.446 0.913 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=C\C(=O)NC4CC4)[C@H]3C2)CCC1 1788498098 UAZHRTFBPNVFGI-BVZCXFIXSA-N 400.479 0.495 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1788603529 KOCVQHSXWSFNRT-CNIUNPCHSA-N 402.499 0.404 30 20 HCED Cc1cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)S)[C@H]3C2)nc2nccn12 1791264605 SIQKSDCLERPXCC-HOSILWTGSA-N 403.508 0.949 30 20 HCED C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1CCN(C)CC1 1792553950 YRDMTJVIFCGJNR-IZZQQSIFSA-N 407.511 0.427 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCCn1ccnc1C)C2 1793346965 SPCUGHLRWUSDJB-PHXBYCTMSA-N 402.495 0.600 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccc(F)cn3n1)C2 1793823052 MSBQLYSJZPEGEX-FVCICTRLSA-N 419.482 0.991 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cn1nc(C)cc1C 1794121417 ZWJPKGSWINRSLK-ZMMAXQRCSA-N 404.511 0.663 30 20 HCED N#CCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc[n+]([O-])c2)cc1 1794250829 GXRYDVWATOQPJC-ACDBMABISA-N 406.442 0.903 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccnc1OCC1CC1 1794450310 MCRXQBZOCUZEOP-CCWDJLKJSA-N 413.430 0.162 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccccn12 1796951574 RJRDKJXXVZJGMU-IBRLJDPESA-N 423.473 0.396 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)C2 1797744190 VNYPXVDREUWAFE-JUTXPSTNSA-N 404.511 0.615 30 20 HCED Cn1cccc1C(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C/N=C/c1ccco1 1797839160 PXKSSMUIQJQYRY-QZBFTGPVSA-N 412.446 0.510 30 20 HCED Cn1nncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798589310 COQGXWPHIWXOFQ-FVCICTRLSA-N 414.853 0.857 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1F)C2 1799303777 XHZKXIKFKSDOCN-ZSBFGKGUSA-N 405.426 0.933 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3ncccc3n1)C2 1799391921 UYMYFJTTYHXCHK-ZXFNITATSA-N 414.466 0.733 30 20 HCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2cccnn2)C3)cc1 1799644932 RNCNNVZKTOFZRJ-RMFSNUHRSA-N 421.457 0.825 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1 1799768282 QKXOVSPDQPMUPW-CULMDFNYSA-N 408.794 0.042 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc2ncnn2c1 1799852003 AXHWNEFGOFFPHE-AXLUSTFKSA-N 422.489 0.768 30 20 HCED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H](O)N2CCOCC2)C3)cc1 1800542462 BOIWWNSCDNRRPU-VQQMMKBISA-N 412.490 0.655 30 20 HCED C=CCC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@@H]1c1cccnc1 1806083484 HSJGGMZPEPMPFP-KXBFYZLASA-N 408.462 0.917 30 20 HCED 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CC[C@H](NC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1835914392 PNBQULKDVGFOAX-SIKLNZKXSA-N 414.506 0.935 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ccc[nH]4)CCO3)C2)c1 1836013816 DJTZQTFCIXPUNH-OAQYLSRUSA-N 411.462 0.917 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1836875780 LUIYZTHQDFNHES-ZIAGYGMSSA-N 420.597 0.984 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@@H]3F)C2)C1 1837492377 GYMDJGACJWTLJB-XGHQBKJUSA-N 408.470 0.499 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CC)NC(N)=O)C2)C1 1837662958 KWHJHUCXQLJGQC-IIBYNOLFSA-N 424.542 0.882 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nccnc3C)CCO2)C1 1838215853 QIEGCZDTASUBBS-IERDGZPVSA-N 418.494 0.428 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839223307 SCHUMNINJLUDHB-PXNSSMCTSA-N 421.498 0.449 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3Cl)C2)C1 1840043531 DUHRVOXKRAXFDB-LJQANCHMSA-N 424.812 0.637 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840101841 SZBDHMRPFCDMAQ-OAQYLSRUSA-N 411.462 0.796 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840155793 DGUILZUKLGPMEW-PIGZYNQJSA-N 415.899 0.829 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840161602 UYTHMOPQVIVLLG-AUUYWEPGSA-N 404.492 0.723 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1840164184 BFPBQAUGGFRAAB-FOIQADDNSA-N 418.519 0.811 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC(=O)Nc3cc(C)on3)C2)C1 1840173314 PSJQRBPDPAAHLE-IBGZPJMESA-N 406.439 0.344 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CCC)C2)C1 1840293488 DNVUVBPMSNUHOJ-AVRDEDQJSA-N 421.538 0.941 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840842473 HXCVOQKCBKXIMX-FQEVSTJZSA-N 402.451 0.149 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1840842794 AZWUZMLPFAUXQW-QFIPXVFZSA-N 423.473 0.955 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CC=CC[C@H]1C(=O)OC)C2 1841056192 WQIURNILPRKZLV-ZRNVIFCMSA-N 415.490 0.804 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1841626406 LUUQJLNCOAVHMV-MRXNPFEDSA-N 401.492 0.861 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)CCc1cccc(C#N)c1)C2 1844156083 JJEROEHNBAOELD-SFHVURJKSA-N 414.462 0.759 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1846383682 QRJSWOFQMCVNQJ-FQEVSTJZSA-N 415.446 0.756 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccccc2I)c1=O 11457999 RQKZTZUICVPALB-UHFFFAOYSA-N 410.171 0.662 30 20 HCED N#CCSc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCOCC2)CC1 21421101 OTFPRZBTWXYUJK-UHFFFAOYSA-N 417.535 0.717 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(CCn2nc3ccccn3c2=O)CC1 26902024 KXCJHJIRVCNOJB-UHFFFAOYSA-N 412.475 0.374 30 20 HCED CCN1CCN(C(=O)Cc2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)CC1 301527578 IMKKHNZDQAGHMA-UHFFFAOYSA-N 410.478 0.406 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 410405078 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N#CCCN(CCC(=O)N1CCN(c2ccccn2)CC1)CCN1CCOCC1 471221344 UCFPNHNSGHRHLK-UHFFFAOYSA-N 400.527 0.668 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 472732817 GKKMAHYLPHBXFW-KRWDZBQOSA-N 414.487 0.748 30 20 HCED COCCN1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 477649342 DAIGFIIZDQYYOA-UHFFFAOYSA-N 415.538 0.675 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCCN2CCC[C@@H]2CO)cc1 478078013 GLTBRHCFGPVFKL-QGZVFWFLSA-N 408.524 0.845 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N(C)Cc1ccccc1 480503182 RRQWWCQNNJRKLV-OAHLLOKOSA-N 414.487 1.000 30 20 HCED CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481550231 ZJTMUDZZNCFVAE-WFASDCNBSA-N 410.521 0.605 30 20 HCED N#C[C@@H]1CN(CC(=O)N2CCN(c3cnccn3)CC2)C[C@]12C(=O)Nc1ccccc12 488100295 LPFGBQPQUVAKCN-ZHRRBRCNSA-N 417.473 0.471 30 20 HCED N#C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C[C@@]12C(=O)Nc1ccccc12 489061391 IBHCCONVWNMIGG-MCMMXHMISA-N 415.409 0.854 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 497050977 YNZZZCKVLWKERV-IBGZPJMESA-N 402.495 0.865 30 20 HCED C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 508733400 MBLWAVWCEVCMDI-UHFFFAOYSA-N 400.531 0.972 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 509412883 DQFICCYXTOZKRC-HNNXBMFYSA-N 400.526 0.613 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 509414638 HHRXNPHDWHNJFK-LBPRGKRZSA-N 422.479 0.750 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 514343818 INFVWFNWGHJMGQ-UHFFFAOYSA-N 418.457 0.462 30 20 HCED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 514734254 DYDDUKYSKMAHKV-STQMWFEESA-N 410.224 0.784 30 20 HCED CNCCCc1[nH]nc(NC(=O)c2cccc(S(=O)(=O)NCCOC)c2)c1C#N 516554594 BTCJUAUZLBZKRW-UHFFFAOYSA-N 420.495 0.610 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OC(C)(C)C3)c(=O)n1C 523406131 FIZFIQLFHCZJNM-UHFFFAOYSA-N 413.499 0.426 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 539687519 GGEHSODQYVRLBD-UHFFFAOYSA-N 422.507 0.464 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)n1 542988732 LUORFYCLSFRJTE-UHFFFAOYSA-N 408.397 0.994 30 20 HCED Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551009564 PDSSPKCHGSGXMW-ROUUACIJSA-N 420.473 0.703 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CCCC[C@@H]2C)CC1 559836488 OPMIPOVPOCSKLK-SFHVURJKSA-N 407.559 0.204 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)C2=O)cc1 561377329 WHLNGRXNINGVAD-MSOLQXFVSA-N 420.473 0.905 30 20 HCED COc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)N1CCOCC1 562322986 FYUAEDGYQRZZBH-GOSISDBHSA-N 410.496 0.290 30 20 HCED CCc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)nnn1Cc1ccc(F)cc1 581086164 UBUDKNUAYHHNIX-UHFFFAOYSA-N 411.401 0.246 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H](N4CCCC4)C3)C2=O)cc1 588868264 BMBMVEUVVDUQMN-OALUTQOASA-N 409.490 0.472 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccc(OC)nc1 608883998 ORKQDIJRTRYEHD-UHFFFAOYSA-N 412.496 0.922 30 20 HCED CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 609956340 YECKKMBAWOIHMA-UHFFFAOYSA-N 407.370 0.989 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)CC1 728535069 XFOJFDJGCCIDLI-UHFFFAOYSA-N 406.433 0.368 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(O)CCC2)cc1 737250966 DTNLPGQOQWRQEQ-RCCKNPSSSA-N 408.480 0.469 30 20 HCED Cn1cc(/C=C/C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(=O)n(C)c1=O 739432850 XTUIWKDCYMUYFN-VOTSOKGWSA-N 419.459 0.001 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCCO2)CC1 748707001 QMLQFQKTCSZTNG-OAHLLOKOSA-N 407.448 0.113 30 20 HCED O=C(NCC1CC1)[C@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748752274 ASDHLDWTDPRCKQ-CYBMUJFWSA-N 408.505 0.153 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 749907091 INSARLUYQFZZPE-UHFFFAOYSA-N 400.526 0.760 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OC[C@H]3CCCCO3)CC2)c1=O 749977917 OOVXFBLKGXMNJM-GOSISDBHSA-N 420.510 0.551 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)s1 750226335 WQWLCGSOOYHHCG-QMMMGPOBSA-N 409.873 0.623 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)cc1C#N 752408485 OXBPGBCMBWWDOY-UHFFFAOYSA-N 408.436 0.712 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 757593719 XXVWVONNWOJONF-RISCZKNCSA-N 411.484 0.754 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC(n3cc(C(=O)OC)nn3)CC2)cc1 759410126 YSTXTUKCCGIHFY-UHFFFAOYSA-N 411.418 0.879 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NC1CCN(CC#N)CC1 760813159 HRVHYNCAUKPUFX-INIZCTEOSA-N 407.515 0.996 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)cc1 766592240 GNTLNRYJHUNUOA-JIVYGXRASA-N 422.507 0.811 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 769643599 AHAFRBPUVVAPJQ-UHFFFAOYSA-N 418.387 0.927 30 20 HCED CCN(CC)CC#C[C@@H](C)OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 770801553 DLQYZOSXNGNRCM-MRXNPFEDSA-N 421.519 0.698 30 20 HCED N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 776118442 OMPNHECMFRHVKX-CYBMUJFWSA-N 417.484 0.976 30 20 HCED CN(CCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 782672050 OPLKMSVFUNPICW-CAPFRKAQSA-N 410.496 0.669 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C)[C@@H]1CCS(=O)(=O)C1 783479856 GLGZDSQLVQDETM-CQSZACIVSA-N 418.450 0.907 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)nn1CCC#N 785265821 NQLSYRMQCFXUQA-CABCVRRESA-N 401.423 0.988 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)O)c3)CC2)c1C#N 788292230 GGHUEICFPKIYAU-UHFFFAOYSA-N 407.427 0.948 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)CC1 789928814 RZGOATSDYHCBED-SFHVURJKSA-N 405.520 0.099 30 20 HCED C[C@H](CC(=O)N[C@H](C)c1nnnn1C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 791229828 WIMHIIOBLNUKKA-GHMZBOCLSA-N 403.468 0.703 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 793198519 XZSBDKBPOYTHNK-UHFFFAOYSA-N 404.492 0.865 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CC1 793200401 AMBPHEBSZXZWFQ-UHFFFAOYSA-N 417.534 0.825 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)CC)n(CC(N)=O)c2=O)cn1 794624695 YZMJOUBZNNLKTP-UHFFFAOYSA-N 401.492 0.120 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 804894980 VFBWWGKIKQZMMX-RTBURBONSA-N 403.527 0.991 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)nc1 806216152 LGSGARZYTCXDLT-HNNXBMFYSA-N 410.409 0.542 30 20 HCED C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 807704286 XYJMMAWJMTUADX-NRFANRHFSA-N 417.429 0.886 30 20 HCED Cc1nsc(N2CCN(C(=O)Nc3ccn(CCS(C)(=O)=O)n3)CC2)c1C#N 810189916 KMQMLNWGPDPFNQ-UHFFFAOYSA-N 423.524 0.918 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)OC)c2C)CC1 810358909 QKDRIHYSXATBLP-UHFFFAOYSA-N 403.410 0.847 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 811709959 UWAUGQUFHHJEEQ-UHFFFAOYSA-N 405.440 0.570 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cnn(C)c2I)CC1 815154773 SQFJPUOVAGKJIY-UHFFFAOYSA-N 400.220 0.626 30 20 HCED C[C@@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)n1cccn1 815941081 PLWOZGKYTAKNKU-NSHDSACASA-N 409.855 0.933 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 856434272 XPUAQZLTKBZKJS-ZFWWWQNUSA-N 423.491 0.420 30 20 HCED N#Cc1ccc(NCCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)nc1 914859167 GIOKSWFXUKQIIC-UHFFFAOYSA-N 404.430 0.553 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 917356806 RWWTWTFKJRKSJK-UHFFFAOYSA-N 415.519 0.032 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 918850304 IXQHGGODPPSKEP-OAHLLOKOSA-N 423.491 0.872 30 20 HCED Cn1c(C#N)ccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1125091917 QZFKCPJAROIPQE-UHFFFAOYSA-N 402.480 0.174 30 20 HCED CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1301854335 VJVIAXNOWFNIIZ-INIZCTEOSA-N 420.481 0.741 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cn1 1318327180 RZKBBDHDZKFJJN-OAHLLOKOSA-N 402.432 0.723 30 20 HCED COc1ccc(S(=O)(=O)CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1318695057 SRAFCPAUCCOYEU-ZCXUNETKSA-N 407.448 0.502 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCC[C@H](C(N)=O)C1 1320673393 QECQBEUTAYBDBB-BPUTZDHNSA-N 412.446 0.567 30 20 HCED COc1ccc(C(=O)N2CCC(NC(=O)NCC(=O)NCC#N)CC2)cc1OC 1326921925 WTTGDLAEXMNRGU-UHFFFAOYSA-N 403.439 0.247 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 1335896322 CJJFLGXFILCUCZ-HNNXBMFYSA-N 413.503 0.018 30 20 HCED CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1503281967 MCNWUYJERFDQHX-CYBMUJFWSA-N 409.516 0.299 30 20 HCED Cn1cc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 1515682238 USHJBEYUTJSAHR-KGLIPLIRSA-N 402.455 0.744 30 20 HCED Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCNS(C)(=O)=O 1693267221 TZRPJXMYEWLBMV-MRXNPFEDSA-N 404.496 0.455 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)CCO1 1698493057 INJPHCCFASSPML-HUUCEWRRSA-N 401.471 0.361 30 20 HCED CNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1729725269 WUINPCQQIDFSBY-UHFFFAOYSA-N 411.514 0.607 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC)C1 1760307292 PBGWUFNYERFCSB-NWDGAFQWSA-N 400.277 0.989 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3c1CCC3)CCO2 1779021384 OWYAOJRHKONVDQ-XOWGOQOESA-N 414.510 0.745 30 20 HCED Cc1cc(/C=C/C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)no1 1779441627 VZOLMMMQVLDJSP-LIENPHCYSA-N 401.419 0.598 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1782197700 NUURZQXMHMTCOH-DZDCQFRTSA-N 408.524 0.879 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782566688 VHLGSFJMUJDKMN-VLIAUNLRSA-N 415.425 0.350 30 20 HCED CC(=O)NCC(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1783133625 JZEPYFIOVUFROE-FQEVSTJZSA-N 403.866 0.658 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccc(O)nn4)C[C@@H]32)C1 1783466829 QLCZDRWCXNMIDX-BPUTZDHNSA-N 402.451 0.507 30 20 HCED CSc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1O 1783566632 GEHJCCJIVMFVRV-IBGZPJMESA-N 404.444 0.646 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OC)c(F)c3)C[C@@H]21 1784479061 WNVDLQRVRQASIU-DNUAJFIVSA-N 419.453 0.861 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nsnc3NC)C[C@@H]21 1784494741 YHMLPRCSDMYXEI-XUXIUFHCSA-N 409.512 0.764 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676715 AOVCXPBXMHLIEP-PQECVOETSA-N 404.467 0.190 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CSc4nc[nH]n4)C[C@@H]32)c1 1789347505 NYXSPKPAGSNQBV-YDHLFZDLSA-N 415.479 0.390 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1789955630 PSTUXHLUSBYIEF-DZBHQSCQSA-N 417.510 0.862 30 20 HCED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C#N)cc3Cl)[C@H]2C1 1790231346 RICUHUCYFICAMG-ZVZYQTTQSA-N 418.881 0.941 30 20 HCED CCOc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)c1 1791078893 FSEDTGQAYJDOJB-SZMVWBNQSA-N 400.431 0.767 30 20 HCED 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C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)N1CCCC1=O 18760678 WJAKFOBBMFNQLR-OAQYLSRUSA-N 411.414 0.844 30 20 HCED N#Cc1ccsc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 52030900 NFYGPLQRKNVTAE-UHFFFAOYSA-N 405.505 0.897 30 20 HCED C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2=O)CC1 55118423 RZUBGVINZMUCHR-GOSISDBHSA-N 402.470 0.416 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 108938431 HKBSMDCOKIIXGR-OXJNMPFZSA-N 419.503 0.964 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 410130019 INSIQRVZPRCOEP-CQSZACIVSA-N 418.541 0.427 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 438957506 ZHJDPVRSWVKUJU-UHFFFAOYSA-N 404.496 0.548 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C#N)o3)c2=O)CC1 440387101 GTPDRDPLLOHDOI-UHFFFAOYSA-N 423.498 0.423 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC2(CO)CCCC2)CC1 441036422 FNLJEGSFVOIJBZ-UHFFFAOYSA-N 406.508 0.286 30 20 HCED N#Cc1ccc(OC2CN(C(=O)C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)C2)cc1 442245045 UTIRATKCAKBVRK-UHFFFAOYSA-N 421.413 0.002 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCSC 443566431 QIOQFLWDWBIKPZ-UHFFFAOYSA-N 405.549 0.426 30 20 HCED N#CCN1CCC(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 444082701 IVLXXRKETJJYPK-UHFFFAOYSA-N 412.537 0.641 30 20 HCED CCO[C@H]1C[C@](CO)(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1(C)C 444805472 VJFKIDMKKXFOAS-OXJNMPFZSA-N 405.499 0.659 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CC[C@@H](N(C)C)C3)cn2)C1=O 448192733 ZJHJXOHGIHFWFP-CQSZACIVSA-N 400.439 0.137 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463092999 KXZGEULTOAVIJH-RWQQGDIJSA-N 412.421 0.508 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 470750534 DYDAOUMNKZZQAO-DLBZAZTESA-N 402.476 0.392 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 471108833 SXIYXRHGBPEMDU-RTBURBONSA-N 416.503 0.894 30 20 HCED Cc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1S(=O)(=O)NCC#N 474800815 IUZLPPTXLQKQSM-UHFFFAOYSA-N 421.567 0.943 30 20 HCED CS(=O)(=O)Nc1nnc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)s1 476072654 KKKCVFMQQRXMLT-LBPRGKRZSA-N 420.476 0.911 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCCS(N)(=O)=O)ccc1Br 479334230 LHMDFIDUZJIRNH-UHFFFAOYSA-N 403.258 0.444 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCO[C@@H](CC(=O)OC)C2)c(C#N)cn1CCOC 481488484 DHWFXKNSNFKZKM-AWEZNQCLSA-N 422.438 0.979 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C 482568478 ZSIDVDNBAGWLGQ-UHFFFAOYSA-N 402.501 0.426 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1OC 484761279 TWFDFXDJWROWNM-RCCFBDPRSA-N 422.507 0.767 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc(OC)c2)c1=O 489092375 FFWHAGKHLMSEKZ-INIZCTEOSA-N 413.499 0.737 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnc4nc(O)nc(O)c4c3)C2=O)cc1 489178112 MRLUYUTVHVKNAQ-OAHLLOKOSA-N 404.386 0.839 30 20 HCED N#Cc1c(NC(=O)CCN2CCC[C@H](CNS(N)(=O)=O)C2)sc2c1CCC2 500307324 VKZIWPAAUFZOJC-GFCCVEGCSA-N 411.553 0.942 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccnn2C)c1=O 502041599 NLHRAYHTKYTQFH-UHFFFAOYSA-N 417.535 0.489 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503982323 LYGAGBXFQAHUEU-GOSISDBHSA-N 412.494 0.563 30 20 HCED Cc1cc(NC(=O)C(=O)NCCN(C)S(=O)(=O)c2cccs2)nn1CCC#N 505038073 ATQCRLLTKXOWEA-UHFFFAOYSA-N 424.508 0.542 30 20 HCED Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)N(CCC#N)CCN1CCOCC1 505417325 XKTKWLVNUWKXQP-UHFFFAOYSA-N 400.483 0.908 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)n1 508350051 OZOPGZBHOJNOBA-UHFFFAOYSA-N 419.327 0.504 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 508883450 ACJOQPSESRSAAG-AWEZNQCLSA-N 409.516 0.693 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCSC)C(=O)N(C)C)cc1 511761773 NLUHAKLVRYOHPN-HNNXBMFYSA-N 406.508 0.867 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)CC3CCS(=O)(=O)CC3)CC2)cc1 514622244 NKIRPWVVIRDGPH-UHFFFAOYSA-N 411.549 0.830 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(C)c3)c(=O)n2C)CC1 517158917 NABMSEUSJDKZBK-UHFFFAOYSA-N 414.506 0.562 30 20 HCED CCC(CC)NC(=O)[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)c2ccccc2O1 517328498 HILPARKBVMZLNZ-QAPCUYQASA-N 414.462 0.836 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 520774314 YCAKGMAAACRYGX-UHFFFAOYSA-N 412.494 0.471 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC(=O)c1ccc(C#N)cc1 521478759 UMOVPGALUXWVTQ-LBPRGKRZSA-N 414.443 0.323 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(C(N)=O)cc1 523256733 SHUWVMWDCRXMLC-UHFFFAOYSA-N 418.478 0.555 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCC)c2)c1=O 523477705 SMQIDVCKDJNHCB-UHFFFAOYSA-N 401.488 0.594 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)n1 542074479 SPCYUSIBCILNMT-UHFFFAOYSA-N 410.843 0.131 30 20 HCED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542075007 UJFQERUDKDUTSG-GOSISDBHSA-N 404.858 0.765 30 20 HCED COc1cc(OC)c2ncc(C#N)c(N3CCN(C(=O)Cn4cnnn4)CC3)c2c1 553278494 UTORHIBZWDYSBB-UHFFFAOYSA-N 408.422 0.459 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 553970753 VWSOHVXODYRCKE-UHFFFAOYSA-N 421.458 0.395 30 20 HCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)NCCn1cnc(C#N)n1 554145068 LRUHWWGMEINWKB-UHFFFAOYSA-N 405.440 0.421 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCC(=O)N3CCCCCC3)CC2)c1 557282391 URRLYBIAMLZLJN-UHFFFAOYSA-N 412.494 0.511 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 558325430 DWKHMFWATIWRHF-SFHVURJKSA-N 411.549 0.830 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccnn3Cc3ccccn3)CC2)n1 564509765 HYDAYKZJCVZETJ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 566684434 MQNGIFCMYOAXGD-CABCVRRESA-N 410.492 0.712 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c(OC)n1 570152397 QGMHOUXQILBKQZ-UHFFFAOYSA-N 424.392 1.550 30 20 HCED CCN1CCC(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 585688569 YPPRGZJMHNYLKK-UHFFFAOYSA-N 400.483 0.673 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 603590798 HDTQJJYIEQQVOI-USJZOSNVSA-N 421.457 0.879 30 20 HCED COc1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c(C(=O)N2CCCC2)cc1OC 609283059 RKYULJQMIRIHAG-CYBMUJFWSA-N 416.434 0.629 30 20 HCED Cc1ccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)cc1S(=O)(=O)NCC#N 609571186 VIJDWNUWPZEZAD-QGZVFWFLSA-N 419.551 0.695 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 610806092 QEFUZGLVFYSWGL-JCGIZDLHSA-N 406.508 0.283 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCN1CCN(c3ncccn3)CC1)CC2 611137513 FEKXKEYHVQPDKE-UHFFFAOYSA-N 419.489 0.566 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 613078154 HBHRPSFTWVSTDG-UHFFFAOYSA-N 415.471 0.812 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 623205435 OVLFHAUUJMDLJQ-GOSISDBHSA-N 420.535 0.705 30 20 HCED CCOC(=O)N(C)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 726954020 LUHOKJAVJZOFTG-UHFFFAOYSA-N 408.480 0.804 30 20 HCED Cc1cccc(C(=O)C(C#N)=c2sc(=Cc3cnn(C)c3)c(=O)n2CC(N)=O)c1C 727814042 UBGIWPJTBOIRSJ-UHFFFAOYSA-N 421.482 0.131 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCC(=O)NCC#N)CC1 731233830 REMJJQOTNKOKGU-UHFFFAOYSA-N 424.435 0.487 30 20 HCED C[C@@H](OC(=O)CN1C(=O)C(=O)N(C)C1=O)C(=O)N(CCC#N)c1ccc(F)cc1 733564000 HBWLFQNHMSHGOM-LLVKDONJSA-N 404.354 0.425 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 734147398 VDEQLKDZJRVEHJ-ZIAGYGMSSA-N 406.508 0.878 30 20 HCED CCOC(=O)C(=O)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 735817839 MVBUOFYFHDLEIR-UHFFFAOYSA-N 412.450 0.384 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnc(-n4cncn4)c3)CC2)o1 738627460 LZINYHUMMANBLG-UHFFFAOYSA-N 422.405 0.336 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(Cc2ccccc2)C1=O 743723689 KDMJQNZUROWGGD-INIZCTEOSA-N 412.471 0.642 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)c1 745151379 ILPWWPHQJRPSAT-UHFFFAOYSA-N 423.472 0.364 30 20 HCED C#CCN(CC#CC)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 745830818 RVIQZTBHJMSZRK-UHFFFAOYSA-N 402.520 0.791 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 746992816 NXTNUMGLJMDUKK-UHFFFAOYSA-N 410.390 0.645 30 20 HCED N#C[C@H]1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CCN1Cc1ccccc1 749995698 JCPPVVPZOAMTNA-QFBILLFUSA-N 411.487 0.953 30 20 HCED COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 751090696 SCCCJFSKQMJEPD-PFONDFGASA-N 413.839 0.931 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)C1=O 752320586 PUEDYSIEOAUZHH-CHWSQXEVSA-N 408.455 0.725 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 755544882 GPMKJIGQYSGUDJ-CHWSQXEVSA-N 403.439 0.508 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 761022666 CFMRLHKZSSALQH-UHFFFAOYSA-N 405.436 0.835 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](OCc2ccccn2)C1 761753312 OWIIDMUSSUERQA-HNNXBMFYSA-N 400.460 0.938 30 20 HCED N#Cc1cccc(OCCCOC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 763918019 HIHIKZCTRMWFKF-HOTGVXAUSA-N 406.460 0.906 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1=O 766051097 HTWSDVRUAAWLSL-UHFFFAOYSA-N 415.387 0.789 30 20 HCED C#CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 767207714 CNEHYSSWZFYRBQ-UHFFFAOYSA-N 417.409 0.835 30 20 HCED C[C@H](CC(=O)N[C@H](C)CCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 770293042 NVFYKYVWKFZQHL-HZPDHXFCSA-N 421.567 0.646 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(Br)cc2)c(=O)n(C)c1=O 771892418 SCLHCFKEWKNEOR-UHFFFAOYSA-N 401.242 0.159 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCCO1 773798444 UDYYKLYVPVYPHC-CABCVRRESA-N 423.491 0.571 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 777285513 PJXYMFLHVLXYAF-UHFFFAOYSA-N 410.452 0.145 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 777714694 ZRXCNXHZMKLGSB-INIZCTEOSA-N 414.890 0.670 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2sc3nc(C)nc(N)c3c2C)CC1 777857548 GCJRDHOMZOJODW-UHFFFAOYSA-N 400.508 0.788 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC 778696782 BUCGDWLRYCKBEF-UHFFFAOYSA-N 423.491 0.268 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780593640 VRUOYJIKAJGFNX-IIBYNOLFSA-N 404.511 0.527 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 783013281 LDAVJFCKONICAZ-MRXNPFEDSA-N 408.524 0.788 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1)[C@H]1CCS(=O)(=O)C1 783475902 QWIQGTBZLKPJPZ-INIZCTEOSA-N 419.503 0.721 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccnc1N1CCOCC1 787285098 RGULXFNPHRDCSG-UHFFFAOYSA-N 409.450 0.029 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCN2CCc3ccccc3C2)n1 787621757 HYISQFTUSSFHTK-UHFFFAOYSA-N 423.517 0.666 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(OC3COC3)cc2)n1 789789178 QZAOMAHTEWNPRG-UHFFFAOYSA-N 412.446 0.908 30 20 HCED COCCOCCS(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793177903 COJXVGCYRMVOFZ-UHFFFAOYSA-N 400.457 0.180 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCOC 794583144 WTJYTFBIFDVYIK-UHFFFAOYSA-N 417.535 0.753 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 795189190 ZWVLGJYWMPZRIR-UHFFFAOYSA-N 415.519 0.160 30 20 HCED CN(CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)OCc1ccccc1 796711720 DXTACNQJADPALK-INIZCTEOSA-N 421.475 0.611 30 20 HCED C#CCC[C@@H](O)CNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 799078659 DMDXUBPGRXHXEI-QGZVFWFLSA-N 418.519 0.960 30 20 HCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1C#N 799555687 CCBJHXFBKKENRR-HOTGVXAUSA-N 406.508 0.979 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)S(=O)(=O)C1CCOCC1 802781922 IVKXMIKVLNBVHE-JTQLQIEISA-N 404.441 0.485 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 803138040 WAFXWODXWNNEDG-HZPDHXFCSA-N 422.526 0.995 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccccn2)c1 805961422 YHRNZKAGDJXPPT-AWEZNQCLSA-N 401.444 0.855 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 807298355 CDTHBYFHAHZBSK-AWEZNQCLSA-N 411.455 0.659 30 20 HCED CN(C)c1c(C=NNc2nc(O)c3cnn(C(C)(C)C)c3n2)c(=O)n(C)c(=O)n1C 807971223 NFDOXWYGOPAHBO-UHFFFAOYSA-N 415.458 0.196 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(c4cn[nH]c4)CC3)C2=O)cc1 808240390 UDOZBTJYNNJBDI-LJQANCHMSA-N 420.473 0.905 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)n1 809527428 SMUQMWQKRMQDIX-BRWVUGGUSA-N 422.576 0.987 30 20 HCED CCOC(=O)C1=C(Cn2cncc(C#N)c2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 809970086 MWBDZVBRNUPCQD-KRWDZBQOSA-N 409.402 0.995 30 20 HCED Cn1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(C)c1=O 844152151 FCRKKGWBMYUNGU-VMPITWQZSA-N 419.459 0.001 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C 914634308 LMURPNUNAGLSNU-FQEVSTJZSA-N 414.418 0.540 30 20 HCED C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CSc2nc(N)c(C#N)cc2C#N)C1=O 917235709 NXQJPHDBBXDNPU-IBGZPJMESA-N 421.442 0.998 30 20 HCED CC[C@H](CC#N)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1116594723 MMXGYOKWMAQFAK-UKRRQHHQSA-N 401.510 0.577 30 20 HCED 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N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1834760763 KAPNMHSNTFKRGU-PMACEKPBSA-N 414.418 0.091 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1835096277 YUWLYWNPMJARKX-QHCPKHFHSA-N 420.469 0.527 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccccc1)CCO2 1835285162 NVYNBCZFKNLNBK-LQBOVUBWSA-N 416.474 0.215 30 20 HCED CC(C)n1nccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344700 QTTUUXYSVBCCCS-FQEVSTJZSA-N 401.467 0.838 30 20 HCED COC(=O)CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348304 VMDOJJWWVWTWGS-NRFANRHFSA-N 421.494 0.870 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)s1 1836084291 HRXNEGHAVPUVME-BDJLRTHQSA-N 400.526 0.164 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837012476 QJXXCAROINYYNZ-HXUWFJFHSA-N 412.450 0.349 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5cn[nH]c5cn4)CCO3)C2)CC1 1837194534 MDCAVRQIOCPTIL-HXUWFJFHSA-N 410.434 0.332 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C(F)F)C2)C1 1837527862 YQVIXQSNOBIGNR-DDGWYSKLSA-N 405.398 0.237 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1838358535 ZMJDOOBFACCDJY-DOMZBBRYSA-N 417.528 0.368 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838475557 OQBLMSNEXAGPIY-IBGZPJMESA-N 402.407 0.184 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839224534 UPHCKGQACDJJIV-QRWLVFNGSA-N 421.450 0.511 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3cc([N+](=O)[O-])ccc3[nH]1)CCO2 1839483685 NCCOIOWFGQACMW-LJQANCHMSA-N 413.390 0.174 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(O)cn3)C2)C1 1839845555 SXKRSWRPAUWCFA-KKSFZXQISA-N 403.479 0.998 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(C)c1 1840043067 GLGSIUJUABAKMA-NRFANRHFSA-N 416.430 0.162 30 20 HCED Cc1cc(C)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043352 SYDWPRJTKQRAAW-NRFANRHFSA-N 400.431 0.461 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1840295553 VGMFNRPNLQQQKY-SFTDATJTSA-N 424.494 0.252 30 20 HCED Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1Cl 1840814343 CWQVRESSRHWRBL-IBGZPJMESA-N 421.885 0.837 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncc4O)C3)C2)CCC1 1840814432 IZDASLPGTADWBB-HXUWFJFHSA-N 400.435 0.551 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1840894942 XHKXFQUHIBNORM-IERDGZPVSA-N 400.431 0.335 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843997886 PXADHJZAXZDVFK-UHFFFAOYSA-N 415.494 0.816 30 20 HCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)[C@@H](C)S)C2 1845246173 ODNOAJMINZPEGE-MRXNPFEDSA-N 418.556 0.594 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1nc[nH]n1)C2 1847069926 UIIUIPMSZPEJOX-CYBMUJFWSA-N 402.455 0.538 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc(C#N)c1 1847470257 XUQBKMGPOCWPKI-UFYCRDLUSA-N 412.490 0.844 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(S(C)(=O)=O)c1 1847809235 BZDQRLIVFQXJKX-COXVUDFISA-N 407.492 0.892 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CC1 11389555 ULNNRHRQDKPXKD-SFHVURJKSA-N 400.347 0.542 30 20 HCED N#Cc1cc(C(=O)Nc2ccccc2)c(N)nc1SCC(=O)N1CCNC(=O)C1 29438345 RNISOMXLZAPDIF-UHFFFAOYSA-N 410.459 0.838 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)[C@@H](C)c2ccccc2OC)c1=O 53576798 KNUSFJQCLKHZKJ-HNNXBMFYSA-N 414.462 0.772 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 62646605 YSMXQHDPGAOWFU-UHFFFAOYSA-N 420.520 0.955 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCCC(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410116263 OTMTZEDTUHAWBG-IAGOWNOFSA-N 404.511 0.647 30 20 HCED Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 434773192 GAVWSUHLWGZXJK-MRXNPFEDSA-N 409.450 0.826 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 434814953 NBVXGOUEDMUZIG-UHFFFAOYSA-N 402.455 0.994 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1)C1CC1 435027044 DAXHKVZVTSCZRA-CQSZACIVSA-N 423.491 0.878 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)C1=O 440256421 CDSLLODDMUPIFW-CZUORRHYSA-N 402.451 0.844 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCOC1 441915885 ACXNHJKIPLAKFB-AWEZNQCLSA-N 400.504 0.798 30 20 HCED CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446533457 VSPXKLLCYJGRIT-UHFFFAOYSA-N 415.494 0.758 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC(=O)N(Cc3ccccc3)C2)cn1 460724267 ZMTIMVROMQDGRV-UHFFFAOYSA-N 415.413 0.906 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3c4ccccc4C[C@H]3O)n2)cc1 472810963 QPUPZBJHXRDZNK-QZTJIDSGSA-N 402.414 0.911 30 20 HCED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 473379937 OKHLNFGEHXHUIO-BZSNNMDCSA-N 404.442 0.143 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)CC)C2)cc1 475467319 FFRDBMOYGCNCAO-OAHLLOKOSA-N 422.507 0.559 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 476284465 PUOREGAYXOTCFC-KURKYZTESA-N 418.519 0.883 30 20 HCED Cn1ncc2c(N3CCN(CCS(=O)(=O)c4ccc(C#N)cc4)CC3)ncnc21 478418884 SDXBHSWLPOFELL-UHFFFAOYSA-N 411.491 0.831 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(S(N)(=O)=O)c1 479740142 DMMCMIGQYGVGPL-LLVKDONJSA-N 408.461 0.511 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 480932774 VVYFKLDLDXNLFO-UHFFFAOYSA-N 420.509 0.895 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CC(=O)N(C)C)n1 481284221 IWGMAKXCVGBUBS-LBPRGKRZSA-N 404.452 0.148 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(N2CCCC2)CCOCC1 481791213 UICPSJMNSSEVOL-INIZCTEOSA-N 420.535 0.986 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccon2)CC1 482424490 IVEGQMZHRZLRMS-AWEZNQCLSA-N 403.464 0.557 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 482573168 GSYDWGCIOQPKCE-ZDUSSCGKSA-N 412.368 0.820 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)co1 486008919 QXRKCXNWEREHTA-HNNXBMFYSA-N 402.432 0.590 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 486462170 PJASIJUKEQVLTL-YQQAZPJKSA-N 404.471 0.389 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)c(Cl)c1 490519008 FEXMBOHRKNXUDK-UHFFFAOYSA-N 416.912 0.645 30 20 HCED C[C@]1(O)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 501787366 WLPHETPZJKLNGQ-IBGZPJMESA-N 406.508 0.238 30 20 HCED CN(C)C[C@@](C)(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 502951702 IOUZRSHQOTVJEK-IBGZPJMESA-N 408.524 0.388 30 20 HCED CNC(=O)CN1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 503322860 JIGUOWQCKKFVFJ-UHFFFAOYSA-N 400.527 0.842 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504467584 NNEIHUFYVBLLHR-UHFFFAOYSA-N 403.487 0.056 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 505368491 KZERJEQREFXNHH-UHFFFAOYSA-N 409.494 0.952 30 20 HCED CCN(CC)C(=O)COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1Cl 508944364 YKCPKSGFCYXODW-UHFFFAOYSA-N 423.857 0.282 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCNC(=O)C3CC3)CC2)cc1 509084262 UQHJKYGMFMBKPM-UHFFFAOYSA-N 404.492 0.698 30 20 HCED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513560320 MZEZCCJDMGJVDQ-UHFFFAOYSA-N 415.381 0.348 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 514419125 MLFBFMORYKRQBZ-POXGOYDTSA-N 406.483 0.810 30 20 HCED CC(C)CN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 514538361 OUADHXSOLUWCFS-QGZVFWFLSA-N 418.519 0.896 30 20 HCED N#Cc1cncc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c1 515479477 PYDWNEWXQSINQF-UHFFFAOYSA-N 402.404 0.488 30 20 HCED CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)ccc1F 525435666 MZPXELSYJDTNHJ-GFCCVEGCSA-N 412.443 0.592 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](CO)Cc3ccco3)n2)cc1 530921128 TUYVULSJTATHRE-MRXNPFEDSA-N 408.418 0.697 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(OC)c(F)c1 531884441 FSJVQQVXFAMKPZ-UHFFFAOYSA-N 424.457 0.999 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)cc1F 536699394 ATTQVNUXQBUNSD-UHFFFAOYSA-N 404.489 0.807 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548041330 PPOYWNYIEKCWJD-UHFFFAOYSA-N 415.439 0.109 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc(C)o2)c1=O 548289778 ITZLDQHLXVJSJD-AWEZNQCLSA-N 402.472 0.956 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2)nc1 551428143 MNGYLNSKNHCJBN-INIZCTEOSA-N 423.433 0.047 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCOc3ccccc32)CC1 552547078 BYACONHFFIKTDI-QGZVFWFLSA-N 400.479 0.463 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)n1 553057315 XQXPESWRQXPCRK-LLVKDONJSA-N 400.405 1.449 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@]2(COC)OCCc3ccccc32)C1=O 558583943 QYORKKWECWUIGR-FQEVSTJZSA-N 401.419 0.194 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](O)CC2)CC1 559479767 LCHYJSDPHSFTOX-KRWDZBQOSA-N 406.508 0.238 30 20 HCED Cc1nsc(N2CCN([C@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)c1C#N 565391949 YHORAMATARHBHV-KGLIPLIRSA-N 411.553 0.479 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnnn1-c1ccccc1 572052548 FNOLLOUIFXMGPB-ZDUSSCGKSA-N 411.447 0.690 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 578583676 MDOVQHHODSROJS-INIZCTEOSA-N 407.540 0.226 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 581853382 AQGHBGKYEFOWOB-MRXNPFEDSA-N 402.494 0.695 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 582875407 WHGTWHOMVTWVBN-GDBMZVCRSA-N 422.507 0.226 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)ccn1 583234440 KRCCWWWEIFKANY-GOSISDBHSA-N 423.429 0.784 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 588126185 CZAZEBJQOLLBFN-UHFFFAOYSA-N 405.543 0.442 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCC1 589248383 YDIBOSLKDMRCFG-GDLZYMKVSA-N 419.507 0.490 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccs2)c1=O 604269929 JKWYPYRCDDJCBZ-UHFFFAOYSA-N 416.528 0.185 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)C1=O 672111721 OLRBEASTUVWSAM-YOEHRIQHSA-N 414.462 0.162 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 728570470 CVFFVLCEOOSQOS-SJORKVTESA-N 414.506 0.391 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC2CC2)cc1 731128587 BRGKGYFMZOQGFW-OQKWZONESA-N 422.507 0.981 30 20 HCED CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731862995 OCAXRYIJEIORMV-ZPHPHTNESA-N 420.491 0.972 30 20 HCED CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732154691 XNZCTHDOXGMWAR-FBMGVBCBSA-N 424.454 0.769 30 20 HCED N#CCOc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)cc1 737180250 BKOVJRAGFVNATP-UHFFFAOYSA-N 406.395 0.630 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)s1 746353689 JEXFLVJIXSHBQO-UHFFFAOYSA-N 424.508 0.754 30 20 HCED COCCN(C(=O)CON=C1C(=O)Nc2c(C)cc(C)cc21)[C@H]1CCS(=O)(=O)C1 754277339 YRHZUWCIQYIVJR-AWEZNQCLSA-N 423.491 0.638 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934369 BZQLHSSGJNJABO-STQMWFEESA-N 424.479 0.004 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(CCS(C)(=O)=O)C(C)(C)C)CC2)o1 770215162 BGHWNPMGMYWJQQ-UHFFFAOYSA-N 411.528 0.648 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 770868148 HRKNDIUSQUYWQQ-UHFFFAOYSA-N 411.443 0.735 30 20 HCED COC[C@@H](C)NC(=O)Cc1noc(CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 771061513 ZMZACABCEXRCLW-GFCCVEGCSA-N 421.479 0.435 30 20 HCED C=CC[C@H](CO)CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 775567938 PIKWPMMHOYXKQE-DZGCQCFKSA-N 408.476 0.925 30 20 HCED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 775913990 QSFFHLHJQHBJDZ-QGZVFWFLSA-N 411.436 0.316 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCCO1 776223624 BWPAIBIROIZERE-GOEBONIOSA-N 422.463 0.792 30 20 HCED C[C@H]1CN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CCN1S(C)(=O)=O 776609722 FZLPQQQYWNWACF-JSGCOSHPSA-N 403.464 0.477 30 20 HCED Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nn1-c1cccc(C#N)c1 780194758 JARIDAHQQXTTTA-UHFFFAOYSA-N 422.401 0.072 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2scnc2C2CC2)c1=O 782792218 GJEAEUBZMHBRJM-UHFFFAOYSA-N 414.512 0.143 30 20 HCED N#CC1(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CCC1 784185234 GCXFJZCEYUEXQZ-UHFFFAOYSA-N 407.448 0.427 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1cccc(C#N)c1 786359650 ZFNWKXCCCPTJMM-JDJRSUBASA-N 411.414 0.981 30 20 HCED CCOC(=O)c1cnn2c(O)cc(CN3CCN(c4c(C#N)c(C)nn4C)CC3)nc12 788274174 GEJVGJCYZVIFIX-UHFFFAOYSA-N 424.465 0.847 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)Nc1cccc(C#N)c1 789109319 BUXRUEYCJPTMDI-IBGZPJMESA-N 414.418 0.656 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(CCc3ccccc3)CC2)c1=O 798229180 FEIIWFSOAIEQAO-UHFFFAOYSA-N 411.506 0.362 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C1=O 798570114 BELHKJIEOAZYMX-MRXNPFEDSA-N 409.464 0.114 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 800122959 DRFNGLSRJXUVNI-UHFFFAOYSA-N 423.539 0.552 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)CC1 803936670 UDMFVAUYNRMNID-UHFFFAOYSA-N 414.871 0.870 30 20 HCED CC(C)(C)OC(=O)N1CCc2c(cccc2NC(=O)C(=O)NCC(=O)NCC#N)C1 807403088 TZQVPZSQNNPPOR-UHFFFAOYSA-N 415.450 0.674 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1=O 809887524 YTFCVHXXTPWRJX-CABCVRRESA-N 410.515 0.993 30 20 HCED COCCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(C)CC1 813291581 UYTXDLIYADJVHZ-UHFFFAOYSA-N 408.524 0.684 30 20 HCED C#CCN1CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 820796600 OOHJGMJVHSIZNA-UHFFFAOYSA-N 404.261 0.627 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916892572 MZCACSHRWLUSKV-HNNXBMFYSA-N 418.475 0.319 30 20 HCED COC(=O)N1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1116133549 OGMNBXPJDNUWHD-CYBMUJFWSA-N 408.480 0.804 30 20 HCED COCC#CCN1CCN([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C(=O)C1 1131716277 FZLCCFLIJAMMTF-SIFVSHMBSA-N 401.507 0.195 30 20 HCED CS(=O)(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1302428457 RQRYLIAPQKJUFZ-KRWDZBQOSA-N 424.502 0.810 30 20 HCED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 1319891222 UGGADHXUMRHFFU-AOSLUSHLSA-N 402.455 0.544 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](C)O1 1452799380 QKRWHRSMVZHEOT-DYEKYZERSA-N 409.464 0.293 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1539776187 WULSVLAQDLZZKS-GXTWGEPZSA-N 418.951 0.993 30 20 HCED C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1545096735 PTGMTZPVKGULBG-SJLPKXTDSA-N 414.514 0.908 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN2CC(F)(F)F)c1 1611643935 YBGPOHVFXBGFIM-ZDUSSCGKSA-N 404.414 0.979 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CC1)C[C@@H](O)CCO2 1639080866 KWBBUBVJPMMVSV-HOCLYGCPSA-N 407.492 0.758 30 20 HCED CCOc1ccccc1CN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@@H](C)C1 1639342641 XSEFYLXLBATHRC-HNNXBMFYSA-N 411.462 0.952 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC[C@@H]21 1641510383 HAHVCDBTJGERBG-OCCSQVGLSA-N 403.439 0.678 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)s1 1651498409 NWGNBEVDGKXBFT-UHFFFAOYSA-N 411.509 0.692 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1706315779 HGFMSGBXDMQHGV-INIZCTEOSA-N 407.544 0.614 30 20 HCED CC[S@](=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1747450872 OJGQBGMSRKAPLR-QYSRSOONSA-N 403.468 0.423 30 20 HCED CS(=O)(=O)NCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1750218293 NHUOFKJBZOBUQM-INIZCTEOSA-N 420.495 0.178 30 20 HCED Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)N(C)C 1751691131 XVQUFWGSVPZPQA-KRWDZBQOSA-N 418.523 0.798 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1763201834 VCBZJJXGFWOWOU-LAUBAEHRSA-N 409.494 0.598 30 20 HCED CN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1766959010 YZLGOCRWWDOZQM-HNNXBMFYSA-N 423.520 0.485 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cn4cccnc4n3)CCO2)C1 1778974104 XAAMJTFAGYNOCZ-IERDGZPVSA-N 413.478 0.746 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)CC(N)=O)CCO3)c1 1780169722 WVIKHORGUKFFCG-SZNDQCEHSA-N 414.462 0.522 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1780169807 WKBKSWGBRRQTQQ-NRFANRHFSA-N 409.446 0.907 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3cc(CO)on3)C2)C1 1780396901 RDLSGOHCIKXNQJ-ATASCALFSA-N 405.455 0.082 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](NC)C(=O)O)C2 1781799273 KGNKMKTXDLGJRI-HBUWYVDXSA-N 417.453 0.774 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1c(O)cc(O)cc1O)C2 1782015218 DACZEWDDVYSJEU-FOIQADDNSA-N 418.402 0.019 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198612 VXFCJUQARIHELA-NRFANRHFSA-N 424.461 0.404 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1)CCO2 1783053214 YOGRXKKFDOVTKL-IBGZPJMESA-N 403.391 0.689 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCSC3)C[C@@H]21 1783535585 OYXKKAFKSBVUAE-BJMLIQPHSA-N 421.563 0.968 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc(Cl)n1 1783567345 XCXMUKLIIUGVQE-SFHVURJKSA-N 407.810 0.275 30 20 HCED COc1c(Cl)cccc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783567880 FYKICQKBBMRRAW-LJQANCHMSA-N 406.822 0.880 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3ccnc3)[C@H]2C1 1784258547 FZBFCGQQQNYFBK-XSLAGTTESA-N 418.494 0.933 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](CN)c3ccccc3)C[C@@H]21 1784480185 RATRUYWTESOEMF-GVVDHYSOSA-N 413.518 0.747 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](NC)C(=O)O)C[C@@H]21 1784491723 OLJDYAKYOFAHGJ-QAETUUGQSA-N 411.499 0.012 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784975080 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XZWZIVQLKCPJKX-KSSFIOAISA-N 400.435 0.695 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)C1=O 552470846 DKMJXOALISXIQU-LBPRGKRZSA-N 407.448 0.634 30 20 HCED COc1cc(I)c(C(=O)NCC(=O)NCC#N)cc1OC 553764899 QDYMPFXJDMKDGX-UHFFFAOYSA-N 403.176 0.678 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 554291442 VBQGJVDFOKSJKQ-AWEZNQCLSA-N 421.458 0.441 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 561788930 ZUHUGPKZMRESBM-RHSMWYFYSA-N 415.469 0.862 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 565924615 XYDSRIMUJUSQHY-ZDUSSCGKSA-N 404.414 0.837 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 571706542 BXFXRZBTRWBMGN-GOSISDBHSA-N 420.473 0.947 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 574310406 IQXUKYWHUNMGON-DENIHFKCSA-N 412.490 0.657 30 20 HCED Cc1nsc(N2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 583053721 RVOUYXKYBFTFNR-UHFFFAOYSA-N 420.520 0.731 30 20 HCED Cn1c(=O)c2nc(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)[nH]c2n(C)c1=O 603590741 ATGKIQMTMZBNSQ-UHFFFAOYSA-N 410.438 0.020 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 603674196 MPDOYYNTUCJUKE-KRWDZBQOSA-N 417.491 0.875 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1 610217844 JYKBMZPPTILJOT-GFCCVEGCSA-N 414.393 0.639 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 610262535 LTKKBIXGVSOQPG-UHFFFAOYSA-N 404.452 0.270 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C3CC3)c(=O)n2C)CC1 610574364 LLSOUKDBRGTUGC-UHFFFAOYSA-N 422.554 0.991 30 20 HCED C[C@@]1(C#N)CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 612366978 JNIIQHQHUUHZEC-XUWXXGDYSA-N 422.463 0.871 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCOC)cc1 615256299 KVLCEWKZXGHWDX-UHFFFAOYSA-N 408.480 0.820 30 20 HCED CN1CCC(N2CC[C@@H](N(C)C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)CC1 732564102 OWXATOLFPCTGNF-MRXNPFEDSA-N 419.551 0.352 30 20 HCED C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 733162843 YZBVZLMXQUYUDB-UHFFFAOYSA-N 410.927 0.913 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccccc2OC(F)F)CC1 733364609 NVLLTDKFMFQULC-UHFFFAOYSA-N 422.432 0.302 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21 734225046 VAKAVXQXTWONQN-LJQANCHMSA-N 407.426 0.855 30 20 HCED CN1CCC[C@H](N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C1 738215042 RMFPCVDRMVPEDM-FQEVSTJZSA-N 410.522 0.992 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 739156517 YVAGLAPJZYHZMS-CQSZACIVSA-N 421.413 0.910 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(=O)N(C)C 752139326 WVJFDZAIWICVRU-GHTHLWOPSA-N 423.495 0.031 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)cc2OC(F)F)c1 756452057 MNNSEJQOXXUFER-UHFFFAOYSA-N 400.363 0.915 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCSC[C@H]1S(C)(=O)=O 765643157 SISUWNPFQGFLNR-BXUZGUMPSA-N 417.534 0.171 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CN(C(=O)OC)C1 771089322 OEAVTDJHDMOLLD-AWEZNQCLSA-N 408.480 0.851 30 20 HCED NS(=O)(=O)c1ccccc1NN=C1C(=O)Nc2cc(N3CCOCC3)ccc21 773122477 JQDNUBYANOVMFA-UHFFFAOYSA-N 401.448 0.939 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)NC)s1 773388412 XEHQFQQOZWUYCU-UHFFFAOYSA-N 407.473 0.923 30 20 HCED N#CCCCS(=O)(=O)NC(=O)Cn1cnc2ccc(Br)cc2c1=O 776121673 IWHMVTNDGFFLJC-UHFFFAOYSA-N 413.253 0.909 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-c2csnn2)cc1)[C@@H]1CCS(=O)(=O)C1 783475930 RWCKYEOYRBMHTB-CQSZACIVSA-N 404.473 0.793 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C)cc1OCCN(C)C)[C@@H]1CCS(=O)(=O)C1 783482673 ZTOIQRCCTNQIFL-MRXNPFEDSA-N 421.519 0.523 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 785063914 DRJSGQZFLAUUHZ-FQEVSTJZSA-N 416.409 0.613 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 789809827 WNNPRDNRPAOLDV-MRXNPFEDSA-N 405.476 0.664 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1=O 798546162 PJCDXLUKPOGGKM-IIBYNOLFSA-N 414.462 0.708 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 799082713 KWIAGKAYAFRSFA-GOEBONIOSA-N 409.464 0.886 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 799284559 IWRVJJRDKFBZDK-CQSZACIVSA-N 420.267 0.918 30 20 HCED CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 800064650 YLWORFQUNTWJQW-UHFFFAOYSA-N 419.381 0.973 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)cn1 801288524 ZBTIUTWRWMICQC-UHFFFAOYSA-N 420.433 0.998 30 20 HCED COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)Cc1cccc(OCC#N)c1 810874408 OXGSTCHCFOKJJA-UHFFFAOYSA-N 403.416 0.744 30 20 HCED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 812155746 VPFBHINBRYILPU-UHFFFAOYSA-N 404.496 0.935 30 20 HCED CN(Cc1ccccc1S(N)(=O)=O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 814348711 KORDMRBYWMMNJG-UHFFFAOYSA-N 422.488 0.031 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1)[C@H]1CCCO1 815574918 GPDJMYCGOSIZPZ-HZPDHXFCSA-N 415.450 0.206 30 20 HCED C[C@]12CCC(=O)N1[C@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)CS2 816129005 GGKLZKIYPUMDAL-NHYWBVRUSA-N 410.433 0.725 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)cc2)c1=O 838176412 QLGJNUQZAZZMIL-HNNXBMFYSA-N 415.515 0.519 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 912615232 WLDXOVNXHTXDMC-OAQYLSRUSA-N 421.461 0.648 30 20 HCED N#Cc1ccc(NCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)nc1 914860844 UNXDFQFQLYSCLP-UHFFFAOYSA-N 405.436 0.409 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1CCOC 917768201 DHJZVPHCSOJBEG-UHFFFAOYSA-N 421.482 0.262 30 20 HCED CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1301818811 ONTXRZCVGBLENB-DENIHFKCSA-N 423.521 0.988 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c2c(nn1C)CCCC2 1475100032 OCXMJGSLQSCQEA-CYBMUJFWSA-N 401.496 0.860 30 20 HCED COCCn1cc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cn1 1504904776 SWIBWRZTJAFMSR-GOSISDBHSA-N 408.466 0.884 30 20 HCED CC(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1508873303 LCWIZIBFKQHRGR-AEFFLSMTSA-N 412.498 0.821 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1=O 1554363662 OABHXUUXQYGMLM-KRWDZBQOSA-N 412.450 0.423 30 20 HCED Cc1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)sc2ccc(C#N)cc12 1558920677 KSLSFPYKJAIYPS-CVEARBPZSA-N 419.528 0.997 30 20 HCED CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1635701031 IIUBYBLEGRAJBM-IRXDYDNUSA-N 404.492 0.447 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@](O)(CC#N)C2)c1 1651091597 QPDGEOKWMBKLJD-LJQANCHMSA-N 422.507 0.264 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)c1ccc(Br)c(C#N)c1 1664373212 LKOXNQZVJTXPIV-RYUDHWBXSA-N 409.283 0.411 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCOCC1 1723616042 DTJHUKZGLBUAQL-MRXNPFEDSA-N 417.514 0.134 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)NCC1CC1 1727608217 UECYTPWDXISECJ-CQSZACIVSA-N 409.498 0.743 30 20 HCED COC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1769530336 ZNRBZQUNYMHYAD-KBPBESRZSA-N 414.532 0.774 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)cc2)CCO1 1770748046 VYFVRYVHZIXGEM-MRXNPFEDSA-N 409.450 0.390 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CC(=O)NCC(F)F)c1 1771531929 IPAXHVSIZLSSEM-UHFFFAOYSA-N 403.393 0.524 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(N3CCOCC3)n2)C1 1778268799 DBTQMYHAAMKGIQ-XMSQKQJNSA-N 412.490 0.679 30 20 HCED CS(=O)(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780598116 JTQPMFUVIDOSMM-LJQANCHMSA-N 405.476 0.436 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)c1 1780599863 HNNGGJKDNHTSBL-JOCHJYFZSA-N 412.490 0.724 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CSc2nc[nH]n2)C1 1782476952 FVCSNNANLDHHHC-FZKQIMNGSA-N 406.512 0.960 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1783179908 QMDOWLLVMVOXER-QVKFZJNVSA-N 414.462 0.292 30 20 HCED C[C@@H](CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1)Oc1ccccc1 1783565573 ODIBGHUKQPBCFB-KKSFZXQISA-N 400.431 0.762 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CSc3nc[nH]n3)C2)C1 1784387769 GSTWUIFMHAELJB-GOSISDBHSA-N 421.527 0.009 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CSc3ncccn3)C[C@@H]21 1784480442 ZYNJTSITSRILMG-QZWWFDLISA-N 418.519 0.587 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)[C@H](C)CC)[C@H]2C1 1784553705 HNVUNNNGGJYSJQ-PJHRJCEYSA-N 410.511 0.883 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CS[C@@H]3CCCCO3)[C@H]2C1 1788646500 NPSZWJUVHWHOIV-XMDUPGNXSA-N 410.492 0.314 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)[C@@H](O)C=C)C[C@@H]21 1788754683 PXNVXQFATLCQAB-XAJHFOFHSA-N 407.511 0.230 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccc(O)nn3)[C@H]2C1 1790588846 PKBRYJYWRKLRJE-IHRRRGAJSA-N 403.439 0.090 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCc4nc[nH]c4C3)[C@H]2C1 1791524049 HZCSVPOKNWWCOZ-BAPGRXHISA-N 414.506 0.533 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCOC3)[C@H]2C1 1792211383 DJRBONQWBTXKPJ-XSLAGTTESA-N 408.495 0.902 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](CC)N(CC)CC)C2 1792484789 QSUXXYVNMXWMKS-WGBUWIMHSA-N 420.554 0.555 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nsnc1NC)C2 1792562241 MBONNXXEMOAHEC-LNVKDLBVSA-N 404.496 0.690 30 20 HCED O=C(Cc1cnccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1793137618 WRIHMIQRAWVYKR-UHXXWTPBSA-N 417.466 0.138 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1793355012 XMEZMGXMHTVNTE-PDOICOKGSA-N 407.511 0.570 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](S)C(C)C 1793384432 ZPSHZLUXMOLXRO-UXXRCYHCSA-N 400.545 0.238 30 20 HCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nncn3c1)C2 1795276154 IZYHSQYUENNWPC-HATOLVCRSA-N 415.453 0.984 30 20 HCED CC(C)(NCCC#N)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](N)Cc1cscn1)C2 1796044954 IGKYTBJHDLGRLY-ORQFMDKSSA-N 418.567 0.933 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](N)c1ccccn1)C2 1797708323 RPMRIRYGHKDFGA-WTNVTLLGSA-N 402.495 0.244 30 20 HCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/N1CCCCC1)C1(O)CCC1 1797740165 XFCYDENFRQKOTA-ZLPCHLISSA-N 406.527 0.599 30 20 HCED CCc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)no1 1797815432 OWQRTBIANGIRBM-BNAVPPKKSA-N 420.466 0.969 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798430256 WVJXQTPTUJSRHU-QETYYQMLSA-N 412.556 0.777 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)n2ccnc2n1 1799985824 OWSFFAHSODGKEV-XLMAVXFVSA-N 411.462 0.279 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 1800708464 LQJDCTJTSWZDSF-IVSAIRAKSA-N 403.479 0.466 30 20 HCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)ccc2c1OCCO2 1800775817 IRRULZRQWZEMMU-HBCWATKFSA-N 414.414 0.057 30 20 HCED COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O 1801988352 MOYVLGRHVJMSSO-XGUBFFRZSA-N 423.466 0.252 30 20 HCED CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@H]1c1cccnc1)C(=O)O 1802685768 OMCJKXQWRQOGQH-ZMSDIMECSA-N 401.467 0.700 30 20 HCED Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1C 1803290952 FSPTVZZGODSENM-IERDGZPVSA-N 409.446 0.460 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)n2cnnn2)[C@@H]1c1cccnc1 1803570667 ISCCCMANDSCEAP-CIRFHOKZSA-N 413.482 0.926 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804347650 GYBVATPTYSIWQA-ZDRJDWQYSA-N 413.478 0.898 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](CC)NC)[C@@H]1c1cccnc1 1807336726 BENOWVRZOPPBCH-ZPDRTHRUSA-N 413.522 0.944 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H]1c1cccnc1 1810340734 MDGJZCHLTXVIKF-LMMKCTJWSA-N 401.419 0.215 30 20 HCED CCOc1ccc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nn1 1811626589 JORLBXBEZZOOOX-MGPUTAFESA-N 423.429 0.678 30 20 HCED CC(=O)O[C@H](C(=O)N1CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1)C(C)C 1812881024 PLIVTEOCJUZGRI-DBVUQKKJSA-N 415.446 0.763 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(O)cn2)[C@H]1c1cccnc1 1812881917 DTCVMNGXAJHREM-BTYIYWSLSA-N 408.414 0.519 30 20 HCED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)CS(=O)(=O)N3CCCC3)sc2C1 1817268830 FKPXVWUJEIJQPX-LLVKDONJSA-N 411.509 0.394 30 20 HCED N#CCCC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(=O)n3[nH]cnc3n2)n[nH]1 1817466646 RGVXFFZOZUPPGL-ZDUSSCGKSA-N 409.410 0.750 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 1824505629 GCIRZGYXTXTOHA-HYVNUMGLSA-N 420.510 0.795 30 20 HCED COCc1oncc1C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825665467 NTRBSIRFPMGBGG-SECBINFHSA-N 404.404 0.591 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1=CCCS1)CCO2 1831553900 OFOMTRRKSBOKAN-DZSVRRGNSA-N 422.551 0.935 30 20 HCED C[C@@](O)(C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(F)(F)F 1832166341 IZHYGGDZHCJMAG-NVXWUHKLSA-N 419.400 0.450 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1832456105 JRSCCGPUOBDZLU-TTYLXTBDSA-N 424.567 0.834 30 20 HCED Cc1nnc(CCC(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)s1 1833017723 ZZAWCAYUNNPXTJ-IBGZPJMESA-N 421.523 0.785 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1833163091 KAOIJMACYLCBAO-HSZRJFAPSA-N 420.469 0.527 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccsc1)CCO2 1833959447 HDNNPHONRXMBAY-XQQSMPNESA-N 419.503 0.677 30 20 HCED Cn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834235601 AOHZJKKOBZAJBY-XACCNFBGSA-N 415.450 0.202 30 20 HCED CC[C@@H](NC)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834715275 MQUBJBZAUFQWEN-LJQANCHMSA-N 420.602 0.838 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3[nH]cnc3C)CC2)CC1 1835189996 QERLDQIEAFFMER-INIZCTEOSA-N 401.511 0.942 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cncn4)CCO3)C2)cc1 1836139904 VOLQOUPJOGHDER-NRFANRHFSA-N 424.461 0.114 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CO)on3)CCO2)C1 1838799325 WQENVMZXWVNMME-YJBOKZPZSA-N 413.496 0.191 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc[nH]c3C)C2)C1 1839173973 YKVVNENNEFLNFA-OAQYLSRUSA-N 419.478 0.903 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1c(C)n[nH]c1C)CCO2 1839242960 SYGFOBOVABJHHY-OAQYLSRUSA-N 402.495 0.829 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c1 1839452196 MCVLOYICKFQVNZ-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)C1 1839808742 ZMMLUSXRJDAAFQ-QFIPXVFZSA-N 413.474 0.226 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCCO2)CCO3)c1 1840015366 OMIVHSBKVKWQRA-RXVVDRJESA-N 417.437 0.946 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840160004 UKHQXVZXVMWHQE-SGTLLEGYSA-N 405.480 0.346 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466355 AQWJYBQSYPUNFN-GOSISDBHSA-N 412.437 0.630 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2nc3ccc(F)cn3n2)C1 1845728720 RKPRFUWXMWMTES-UHFFFAOYSA-N 413.457 0.967 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCn3cncn3)C2)c(C#N)c1 1846546800 KXECHXJSNIMJQE-UHFFFAOYSA-N 408.462 0.995 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)cc1 22411686 IOCGOEXAUFRUOW-UHFFFAOYSA-N 420.516 0.712 30 20 HCED CN(CC(F)(F)F)C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 51535869 LXBZLHWALFAWNN-UHFFFAOYSA-N 404.414 0.885 30 20 HCED CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 110981518 MQKVPBWESSMSIF-CQSZACIVSA-N 412.899 0.775 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)[C@H](C)[C@@H](C)C(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 410103821 HOQFMIUMPWIIRP-BDXSIMOUSA-N 418.538 0.749 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)C1=O 410113076 MYZCHLVXYGRWNO-JKSUJKDBSA-N 423.539 0.673 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 410157165 WUEJDRSKYYLJGE-CYBMUJFWSA-N 404.514 0.434 30 20 HCED CN1CCC(n2ccc(NC(=O)C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)n2)CC1 427288668 MRVQYPCVSIAXOB-LJQANCHMSA-N 422.489 1.560 30 20 HCED C=CCNc1ncc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 433224889 DSNBZIKALOCDRJ-UHFFFAOYSA-N 414.553 1.444 30 20 HCED CC[C@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 439277949 VPSMCDBMNCSHSJ-HXUWFJFHSA-N 420.535 0.628 30 20 HCED C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)CN1CCOCC1 443236639 GSTUXNXGMVWVIX-OAHLLOKOSA-N 407.414 0.939 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCC(=O)N2CCCCCC2)cn1 460610235 GHZOXJYPGGBXJJ-UHFFFAOYSA-N 409.450 0.986 30 20 HCED N#Cc1ccc(OC2CN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)C2)cc1 461932466 AALWOAFQFMDIKN-UHFFFAOYSA-N 410.434 0.909 30 20 HCED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)nc1 463180162 CRYSFOKOPRDUAA-UHFFFAOYSA-N 413.459 0.175 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CO)Cc3ccccc3)n2)c(F)c1 467263698 YVPLTXSLEBGCEA-INIZCTEOSA-N 407.405 1.541 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480260019 VBEBVMXJSPDBHU-ZDUSSCGKSA-N 414.443 0.153 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)C1=O 488027192 DRWJVFBZDHKZQO-CZUORRHYSA-N 420.372 0.330 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(C)=O)c2C)CC1 491124463 UGVLJKFAPOHSBI-UHFFFAOYSA-N 401.467 0.338 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1n1cccn1 494053664 CBJCUMJZTCVVHE-BBWFWOEESA-N 420.433 0.809 30 20 HCED CN(CC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 497361605 ITMBSHYSVKKSCK-NVXWUHKLSA-N 404.492 0.696 30 20 HCED CN(CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 502019013 QOMXXAOFTLLRMF-GOSISDBHSA-N 418.519 0.854 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 505622411 ONQLJZSREMQRSA-SJORKVTESA-N 416.503 0.242 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 506618040 VWNNLNXHLNVZAU-GJZGRUSLSA-N 414.437 0.876 30 20 HCED CN1CCN(C(=O)CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508051289 DQUSRXJAWIRHNG-SFHVURJKSA-N 412.494 0.517 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nccn3CC(C)C)CC2)c1C#N 508786015 UKYTUJUFZJPVLB-UHFFFAOYSA-N 412.498 0.418 30 20 HCED C=CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508930124 KFQRKNMTNDNNPC-UHFFFAOYSA-N 411.466 0.034 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CCOCC2)CC1 508939205 RFMZYFFEZMIPJX-OAHLLOKOSA-N 412.560 0.623 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512986589 JPJLGXDPJXRWIF-NSHDSACASA-N 407.427 0.713 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C)n2)c1=O 514916527 XSWYOSUNTWYDRB-UHFFFAOYSA-N 404.517 0.447 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)COc2ccccc2C#N)c1 521572206 PPWBSMFWMLYNES-ZDUSSCGKSA-N 416.459 0.989 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CN2CCOCC2)c2ccccc2)C1=O 523002663 ZTFWRKUEPVAPTI-MRXNPFEDSA-N 400.435 0.153 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)C1=O 524859474 NXQBPHVMJQNJGS-UHFFFAOYSA-N 424.410 0.182 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1Cc1ccon1 531684256 PRECSELHVYPGEV-UHFFFAOYSA-N 418.837 0.988 30 20 HCED CN(C)CCn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1=O 533803016 WJTRRQXZBHBSOY-UHFFFAOYSA-N 417.491 0.854 30 20 HCED C[C@H](NC(=O)CNC(=O)CN(C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1 534833909 IYFCZKUOFOIIII-ZDUSSCGKSA-N 415.473 0.861 30 20 HCED Cc1nc(C)n(C[C@H]2CN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CCO2)n1 537000745 QKPGHIUGKUOZSE-OAHLLOKOSA-N 400.443 0.410 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(O)n2C[C@H]2CCCO2)CC1 540372193 NHFUYAAKASHKHU-HUUCEWRRSA-N 408.528 0.947 30 20 HCED C=CCNC(=O)c1cccc(-c2noc(CNS(=O)(=O)c3cnn(C)c3)n2)c1 544332934 HYZACWUNEKXZJQ-UHFFFAOYSA-N 402.436 0.864 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 545999067 IFHGXBUNHGRDNI-HNNXBMFYSA-N 410.434 0.546 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)c1 548574774 BSCXKXKBEVIZAX-JOYOIKCWSA-N 416.253 0.660 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCSC1 550838511 HFBMVBZHMONKFH-NQIIRXRSSA-N 415.563 0.776 30 20 HCED COCc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(N)n1 558350345 GCCAENUCZVXVLF-UHFFFAOYSA-N 416.463 0.224 30 20 HCED C[C@@H](c1ccccc1)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(N)=O 563308681 WZSDINJBWQFQPR-IFXJQAMLSA-N 414.487 0.953 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(F)(F)F 572668426 MUOFRLQREWAWAW-LLVKDONJSA-N 403.379 0.798 30 20 HCED C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 575830425 DNXHDDNJZMQDGQ-MDASCCDHSA-N 409.490 0.769 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 588244308 RIGUAVCELBPSSG-AWEZNQCLSA-N 414.466 0.198 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 609100965 ZQZKNDULKOGOKH-OALUTQOASA-N 402.520 0.858 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CSc3nnnn3CC(F)(F)F)CC2)nc1 609262203 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20 HCED Cc1cc(NC(=O)COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 733831738 ULTPYROEYAEMQD-OAHLLOKOSA-N 424.417 0.987 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc2c(cc1Cl)OCO2 737306715 OMQDQXPEFLPQHU-PFONDFGASA-N 406.782 0.650 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 744589421 OQLWORHVEXVXCI-LHSJRXKWSA-N 413.430 0.293 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 755066136 VXNJWCQLGSEGFP-UHFFFAOYSA-N 422.507 0.194 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 756752352 GSLLOTYRHPCFDS-MFKMUULPSA-N 423.476 0.369 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 757301564 XDIYBWIMKHZTMZ-TZMCWYRMSA-N 411.455 0.610 30 20 HCED C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn(CC)c2)c1=O 758062604 SZHRCEDILPGNLY-UHFFFAOYSA-N 417.494 0.925 30 20 HCED N#Cc1ccc([C@H](O)CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 763232994 XVKCGUDAUFPCLT-OAHLLOKOSA-N 404.448 0.290 30 20 HCED COc1ccc2c(c1)OC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 767390590 RALLNIBUPWELPE-ZDUSSCGKSA-N 401.444 0.854 30 20 HCED C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)[C@@H]1CCCO1 773058804 UYWSTUCAKGXRBC-KGLIPLIRSA-N 402.494 0.916 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 774011764 GMKMPKDTWVBJSW-ZBFHGGJFSA-N 408.426 0.649 30 20 HCED C[C@H](CC(=O)NCc1nc(C(F)(F)F)n[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 775910636 VHAICLIKRLHBGI-MRVPVSSYSA-N 416.385 0.957 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 783545439 RLEUEYCAVWPSFG-UHFFFAOYSA-N 422.550 0.029 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(-n3cccn3)cc2)n1 788380910 SSOBJSUICKIXLL-UHFFFAOYSA-N 420.473 0.993 30 20 HCED CCN1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 792480604 DMVIXMTZFYCMNR-HKWRFOASSA-N 421.479 0.086 30 20 HCED COCCCS(=O)(=O)N1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793510598 DRIHRPOCCKLHNU-UHFFFAOYSA-N 408.524 0.540 30 20 HCED Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1C#N 799309582 HYSBGHNMHHDFDN-UHFFFAOYSA-N 402.432 0.705 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 804894978 VFBWWGKIKQZMMX-OALUTQOASA-N 403.527 0.991 30 20 HCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)CC(C)(C)C#N 805910736 VXJPIPDZKDAYNO-NSHDSACASA-N 405.473 0.829 30 20 HCED N#CC(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C[C@H]1CCCCO1 814251867 VEOBDBOIWCFQPU-CQSZACIVSA-N 405.430 0.967 30 20 HCED COC(=O)c1ccc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)n1C 814745890 JSQXQWCZCJBRHY-UHFFFAOYSA-N 420.495 0.589 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)cc1 820471444 VXVLKLJHZQTBOK-INIZCTEOSA-N 411.480 0.592 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 917034666 MKCPVRWFTBXSOZ-IIBYNOLFSA-N 412.446 0.783 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 918401317 AXEZGSLNVUQTQA-LJQANCHMSA-N 421.457 0.898 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3nc[nH]c3C2)CC1 929074434 KHKIIXVMTRUWRO-UHFFFAOYSA-N 414.491 0.173 30 20 HCED CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1154571442 RTTHMIFIQQNCRW-QRTARXTBSA-N 423.491 0.842 30 20 HCED N#Cc1ccnc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 1191673424 XLRTWKDSONUDSB-UHFFFAOYSA-N 421.504 0.107 30 20 HCED C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cccc(F)c1 1205419692 UPSAKDZKHAMRAA-OSFNYYGPSA-N 411.477 0.883 30 20 HCED CN1CCN(CCCS(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1309179148 OWTILPPTCBUVPP-HXUWFJFHSA-N 405.568 0.664 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1315033044 OGEQEUJBHHWYDO-UHFFFAOYSA-N 420.481 0.834 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cnn(CC(F)F)c3)CC2=O)cc1 1320458600 HQEREOTZTWNDJK-LBPRGKRZSA-N 423.401 0.878 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCc3nc(O)c4cnn(C)c4n3)CC2)c1C#N 1321795096 ZEBYAFMGMUELMY-UHFFFAOYSA-N 409.454 0.264 30 20 HCED CC[C@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1496115525 JRTNKHFEWIKIQT-ZNMIVQPWSA-N 413.548 0.347 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccco1 1510217877 LHUIZAUALWGWTH-DZGCQCFKSA-N 419.511 0.706 30 20 HCED COC(=O)CN(CCC(F)(F)F)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1525151715 ICPFPKQOEXZPHE-UHFFFAOYSA-N 407.370 0.679 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CC1 1560136612 YGDXKOFUSKPXPB-ZWKOTPCHSA-N 423.558 0.592 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1618351004 NELBOTFCOFFUEQ-UHFFFAOYSA-N 416.507 0.824 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705686218 SKAYUUPKDSPFDC-WDEREUQCSA-N 418.317 0.761 30 20 HCED CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1746039133 OQGMEIPWHXBJTD-HUUCEWRRSA-N 403.487 0.607 30 20 HCED CC(=O)N1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1 1760622568 LCCSUYOYJYJGRA-GDBMZVCRSA-N 402.503 0.132 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1761211630 WLCHVIHPLQMAOD-UHFFFAOYSA-N 408.528 0.981 30 20 HCED CCOC1CC(O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)C1 1767696839 UFUPKHTVWNAZMP-JGTPUYEMSA-N 411.528 0.849 30 20 HCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)cnc2c1 1777994151 NAVYSZKBVJCUQN-JOCHJYFZSA-N 423.473 0.996 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1778974264 XXRJQKCRYNOACR-IERDGZPVSA-N 413.478 0.975 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062684 FSFXDAYHLWLKRT-JTSKRJEESA-N 419.522 0.382 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)C1 1779106785 UXTRFCVCFOENKJ-YNAMOWOFSA-N 422.526 0.687 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779141544 ZVCBXUJLDCSKPE-QDLBXXMRSA-N 418.494 0.833 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C3=NNC(=O)C3)CCO2)C1)c1ccccc1 1779186052 XDBCCYUOLSCJID-WZONZLPQSA-N 422.485 0.889 30 20 HCED CN(C)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395324 QWCAAICBONSLCH-WIYYLYMNSA-N 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COC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)C1 1798691266 ICIDAKTVKILPAG-WXQHOCMDSA-N 414.462 0.679 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799323086 RVXQRQBJUBCGRZ-NZNSQFJMSA-N 416.453 0.341 30 20 HCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc[nH]c2[N+](=O)[O-])C3)cc1 1799642420 WMQQTWRIFVVWKY-MUJYYYPQSA-N 424.417 0.901 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1800992439 MLEIEVBXCICEMY-IGNRKKQASA-N 406.508 0.182 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)CCSC 1801029421 WSMLYYWHUZZGAW-NPJQDHAYSA-N 400.541 0.263 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1c(C)nn(C)c1C 1801375444 WCIUDPINZSJCKQ-LJCCNALRSA-N 404.511 0.760 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)/C=C\C(=O)NCC=C)[C@H]1c1cccnc1 1802475078 BJSBVXHANSSZEQ-HWFQBVAFSA-N 424.501 0.984 30 20 HCED COc1cc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)ccn1 1810842011 SSJZMGRZOQRXGX-JXFKEZNVSA-N 408.414 0.893 30 20 HCED CCOC(CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1)OCC 1812882738 QKFDOAKTYXZLJL-IERDGZPVSA-N 417.462 0.965 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(O)nc(O)n2)n[nH]1 1818028621 NIQNGZTZEALJEH-BXUZGUMPSA-N 414.422 0.955 30 20 HCED CNC(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/N3CCCCC3)sc2C1 1819770989 VQCHSDNVIBNBOF-ZICWZVMQSA-N 406.512 0.663 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)COCCO)n[nH]1 1820919742 GXUFXYQPPXQWLO-XHPSBEMXSA-N 405.455 0.269 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)c4c[nH]c(=O)cn4)sc3C2)c1 1821472512 OURJNFLYEDIIJV-JTQLQIEISA-N 409.431 0.966 30 20 HCED CN1N=C(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)CCC1=O 1822197046 HZCFKALSRXUVHY-ZDUSSCGKSA-N 400.395 0.098 30 20 HCED C#CC(=O)N[C@H]1CCc2nc(NC(=O)Cn3cccc([N+](=O)[O-])c3=O)sc2C1 1824718635 NWDIGXURPQJGOR-JTQLQIEISA-N 401.404 0.458 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)COc1cccnn1)CC2 1825674710 NQYYNSFVSPTORX-JTQLQIEISA-N 401.404 0.012 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1830050709 WLSXVHNNOLIBDL-IBGZPJMESA-N 408.405 0.980 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)c1 1830602941 MZKXQFDBCSCNQX-QFIPXVFZSA-N 411.458 0.916 30 20 HCED CC(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1830870730 ADBZJUVXDBVUMN-RXVVDRJESA-N 401.463 0.645 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCC(C)CC3)CCO2)C1 1831098386 LIJACWBGBHNXCR-SIKLNZKXSA-N 423.554 0.766 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3ccn4cncc4c3)C2)C1 1831213022 FUBLVPRIMDMEOE-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1831397260 PYHJTDFHRHPLNI-HTAPYJJXSA-N 411.458 0.667 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)CCC1 1832780635 JOSCEDOQBSVJSW-MRXNPFEDSA-N 415.494 0.852 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)CCC1 1832782108 JLKNPHXUVFYCBA-CVEARBPZSA-N 415.494 0.898 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cc(F)ccn1)CCO2 1832847560 JZQKUWFRISSKSN-FQEVSTJZSA-N 404.442 0.913 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1833044994 URPHGCGVHFKTHL-UTKZUKDTSA-N 404.463 0.707 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833080708 JVXYJMOFBSUGIK-FXAWDEMLSA-N 406.483 0.239 30 20 HCED Cn1cccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1833908351 GZFVCNOFEACCGC-XOWGOQOESA-N 417.510 0.567 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccnnc2)CCO3)cc1 1834022474 XAFNGAJERYOTFD-QFIPXVFZSA-N 421.457 0.661 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834084374 JZKXDKCZRUBOIF-UWJYYQICSA-N 418.494 0.428 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1834114330 PMZSTFFHYWKYGG-LJQANCHMSA-N 408.524 0.718 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)c1ccno1)CCO2 1834150690 GUJIEJSDGVTXDJ-YAUSOUDHSA-N 422.438 0.274 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835348293 VDLMQRACASVVDN-OXJNMPFZSA-N 401.467 0.513 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1835704765 YJOGDJDSMMRAQQ-INIZCTEOSA-N 417.554 0.679 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c1 1836354929 WVKVVFNEKCGVEG-QVKFZJNVSA-N 424.461 0.816 30 20 HCED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1837562820 RBYAQQAHJYEOGX-CNSRZQHFSA-N 406.483 0.155 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)ccn3)CCO2)C1 1837952482 XQRRENXKOSLFFI-HRAATJIYSA-N 419.478 0.751 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838792082 RYPGOXYPXKTSHD-FQEVSTJZSA-N 410.434 0.251 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839562316 VRKMAGRUQZYLJX-LIRRHRJNSA-N 404.492 0.723 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3csc(-c4cccnc4)n3)C2)C1 1839808573 TZNADKLEDKDBHR-HXUWFJFHSA-N 412.471 0.908 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1839840679 GQUVAJXWLZHFCE-YJYMSZOUSA-N 406.439 0.170 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccncc34)C2)C1 1840044302 CHEIOBFRFAQEQQ-JOCHJYFZSA-N 423.425 0.393 30 20 HCED CC[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1)N(CC)CC 1840157301 KQRUDDKRLUXFCW-MDZRGWNJSA-N 401.573 0.882 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1840161131 FHFOTKOZZQHZFK-FZKQIMNGSA-N 405.480 0.118 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840233268 HZMKAQGCHGLBJH-KDOFPFPSSA-N 415.437 0.180 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269066 LAELIZKVDGMAMU-IKVWTGGYSA-N 408.495 0.032 30 20 HCED NC(=O)CC[C@H](N)C(=O)N1CC2(CCCN2C(=O)C#Cc2ccc(Cl)cc2)C1 1841262031 IIVSEGXCUAFTEK-INIZCTEOSA-N 402.882 0.488 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)c1Cl 1848129774 NBMFQACMWJSYCC-IHRRRGAJSA-N 415.837 0.625 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C1CC1 22105576 NOQPUIFKUGXSAU-NHCUHLMSSA-N 410.430 0.732 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc3c(c2)OCCCO3)c1=O 25521885 TUOVZUFPWLCTLI-UHFFFAOYSA-N 414.418 0.344 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 50150160 LHKACTXWANWXRE-UHFFFAOYSA-N 408.462 0.969 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C3(C)CCCC3)on2)CC1 434937754 LPDYTSXNLYZYGD-UHFFFAOYSA-N 403.483 0.891 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 438300905 FDPHHSNMBLWTNN-UHFFFAOYSA-N 409.494 1.441 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1=O 444407514 NWDNBBOCIHXKOL-GOSISDBHSA-N 424.436 0.450 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)n1 444598800 PRJYEMQIQXAIHY-UHFFFAOYSA-N 413.457 0.813 30 20 HCED Cn1ncc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1C(F)(F)F 445068430 XCJSLJDQXBCCMH-UHFFFAOYSA-N 407.356 0.993 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 446802648 QYRBJIZBPHSDFC-LLVKDONJSA-N 422.371 0.783 30 20 HCED Cn1c(=O)c2ccn(CC(=O)Nc3cnn(-c4ncccc4C#N)c3)c2n(C)c1=O 461278889 QGXVZVWWMCFJJH-UHFFFAOYSA-N 404.390 0.130 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 461304788 ZSRDLNFQSSFWHV-DTTOXWODSA-N 420.429 0.938 30 20 HCED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCC2CCN(CC#N)CC2)c1 461675381 OOJPHDPKDJTYMC-UHFFFAOYSA-N 407.496 0.982 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 462010588 OCPRMMUOJIBYOW-OAHLLOKOSA-N 422.493 1.264 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)cc2)s1 462099846 SODNTOHRCXADCF-UHFFFAOYSA-N 406.489 0.851 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)nc2-n2cc(Cl)cn2)C1=O 470330785 QMEHQLMYBBTEMM-UHFFFAOYSA-N 416.825 0.822 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN([C@H]4CCC[C@H]4O)CC3)CC2)c1C#N 472082744 JAOWBDXKYCUWDN-RBUKOAKNSA-N 415.542 0.810 30 20 HCED Cc1nn(C)c(N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)c1C#N 472440391 SMIGVGYEFHBTJX-UHFFFAOYSA-N 405.440 0.482 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1OC 474058381 QPQKQVQKGRXPPZ-ZDUSSCGKSA-N 403.478 0.846 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 475483248 UFRRXHKQNRIUJJ-HUUCEWRRSA-N 407.471 0.166 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 484081367 JHKYJJZIOJUSIW-INIZCTEOSA-N 403.870 0.915 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2CC)CC1 489130124 PZJLMUGTHIOPNU-UHFFFAOYSA-N 410.543 0.905 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccccc3S(N)(=O)=O)C2)nc1 491146351 MWAISSFRZUDNPY-OAHLLOKOSA-N 401.448 0.964 30 20 HCED Cc1nc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N 498187241 ITTACLURCHYSDC-ZIAGYGMSSA-N 407.496 0.374 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 500011469 HMQBTNVAQYTJDP-INIZCTEOSA-N 403.435 0.917 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 505397813 WJODDQOOLUHEJS-UHFFFAOYSA-N 422.551 0.777 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505502095 BQNKGTLYZQCOQN-OAGGEKHMSA-N 414.418 0.552 30 20 HCED CN(C)C(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 516689470 TYZURZHGQYIMMK-UHFFFAOYSA-N 416.459 0.942 30 20 HCED CCOC(=O)CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 523792731 NLJIBCLNRMSIHV-UHFFFAOYSA-N 415.493 0.148 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 531018388 FAEWNGSRUFQTHV-LJQANCHMSA-N 419.441 0.916 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)n(CCC#N)n1 535995837 UAANFGVVDQTHKX-JWTNVVGKSA-N 413.526 0.813 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2)CC1 536948387 QKNCUJYFVVBEDM-INIZCTEOSA-N 401.515 0.687 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)NC[C@@H]3C2)CC1 539454925 KNYIRUIGSWQZHP-QZTJIDSGSA-N 400.458 0.244 30 20 HCED N#CCC1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)CC1 542061832 JJRSFHLNNKZTTA-UHFFFAOYSA-N 401.471 0.771 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)NC(C)(C)C#N)c(=O)n2Cc1ccccc1 542829538 ABBVHQJEYFZXML-UHFFFAOYSA-N 424.461 0.473 30 20 HCED C[C@H]1CCCN(C(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 547430106 ARUTYEDQRAVRJL-HNNXBMFYSA-N 404.492 0.650 30 20 HCED COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697670 CLDLNAKCRGATSO-UHFFFAOYSA-N 420.451 0.886 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 549751710 HENVLMNCTCATBD-GDBMZVCRSA-N 400.435 0.792 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)n1 550902887 UKTWFGYDBKTIGL-CYBMUJFWSA-N 413.438 0.717 30 20 HCED N#CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 557722300 CZFSUPYMTCLEBE-UHFFFAOYSA-N 418.519 0.722 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 558741126 CDMSAOMVESVAPP-SNVBAGLBSA-N 423.903 0.219 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2F)CC1 563973767 XDHYPEVWUDBWRN-HNNXBMFYSA-N 406.458 0.156 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 570077584 AUWMBZALUHEZCB-GDBMZVCRSA-N 401.442 0.377 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCn3cnc4ccccc43)CC2)nc1 584282221 REWSROYWPDQGOV-UHFFFAOYSA-N 403.446 0.768 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 585725555 VCCUKFYIKQDLJD-QRQLOZEOSA-N 409.490 0.913 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CC2)c1 585726003 HMARXNMVBCMIIQ-UHFFFAOYSA-N 419.489 0.782 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 609436387 MHCRERSMMZCCBK-UHFFFAOYSA-N 402.432 0.954 30 20 HCED C=C[C@H](C(=O)OC)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 619719028 OLIXKAGWBHWBFW-CYBMUJFWSA-N 400.453 0.717 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1=O 726043747 RFGYWSVHDGGUQW-GXTWGEPZSA-N 415.402 0.535 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCOCC)cc2)CC1 728589620 JATOYQUVTFCKCD-UHFFFAOYSA-N 409.508 0.158 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1 733770381 HJWJCGLOHHJRLO-CQSZACIVSA-N 410.434 0.431 30 20 HCED C[C@H](CC(=O)NCCS(=O)(=O)C(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742672349 KDOWUZDJLSBCPR-GFCCVEGCSA-N 415.537 0.833 30 20 HCED N#Cc1cccc(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 748220361 NTSYFNPJTFMTMN-CQSZACIVSA-N 403.416 0.450 30 20 HCED N#C[C@@H](C(=O)c1cnn(-c2ccc(Cl)cc2)n1)C(=O)N1CCS(=O)(=O)CC1 752497214 CAITWCIBMZAOOA-ZDUSSCGKSA-N 407.839 0.500 30 20 HCED C[C@@H](CC(=O)N(CCS(C)(=O)=O)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 753747692 IGDJVYJENULYTR-LBPRGKRZSA-N 413.521 0.539 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(c3nccnc3C#N)C2)CC1 754251890 YBKHHNKHSFZKDZ-UHFFFAOYSA-N 408.484 0.419 30 20 HCED COC(=O)c1cccc(COC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1C#N 756166411 BSWBRMRTZXVKEU-UHFFFAOYSA-N 408.370 0.647 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758059623 QYMRGSVOMCBAOV-UHFFFAOYSA-N 423.494 0.734 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCO3)c1=O 758078151 IRVFQJIJNBCNBK-UHFFFAOYSA-N 409.467 0.547 30 20 HCED C[C@@H](CC(=O)NC(C)(C)CS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 760122615 FTQVKMJTENANTK-NSHDSACASA-N 401.510 0.443 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)CCC2 763461345 WNDSLVJHUCVCNX-UHFFFAOYSA-N 404.495 0.975 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C(N)=O)c2cccc(Br)c2)CC1 764409052 XBXLEIIGLQFGET-CQSZACIVSA-N 415.313 0.061 30 20 HCED CSCCNC(=S)NN=C(C)c1ccc(S(=O)(=O)NCC(=O)O)cc1 769598988 MNVFZDIRXFZELH-UHFFFAOYSA-N 404.539 0.601 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)cc1 772805352 SPEFRMXXGQCAQM-RDJZCZTQSA-N 410.492 0.084 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779573947 NGPBYTPNXJGPSX-MRXNPFEDSA-N 406.460 0.420 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 783346459 AMRXTGSFHPBOCS-UHFFFAOYSA-N 423.491 0.123 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CCCN(S(C)(=O)=O)C2)c1 786476963 JXKIGISJUNDNBE-CQSZACIVSA-N 416.521 0.979 30 20 HCED CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 793607529 RCDIAXWZPBDRIZ-JXFKEZNVSA-N 409.450 0.955 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)C(=O)NCCF)C1=O 799863139 PQCIRJMXMLKHSV-MFKMUULPSA-N 423.470 0.327 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)N1CCO[C@H](C#N)C1 800105728 VNYGQOYWUFPDPG-QLFBSQMISA-N 400.501 0.929 30 20 HCED CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(CC(=O)NCC#N)CC2)C1 802021643 WWEOXUDSSJJMIO-UHFFFAOYSA-N 403.487 0.848 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)C1 803133694 CDTQWLQEZOOMFL-OAHLLOKOSA-N 407.515 0.854 30 20 HCED CN(C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(C)(C)C#N 806052647 IZEDWUKPYOPEOD-UHFFFAOYSA-N 415.493 0.686 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C1CCC1 814255055 UPYIVFMBMLSXEF-UHFFFAOYSA-N 415.519 0.678 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](N2CCOCC2)CC1 816509492 RWYIVKLDIWTLLT-MRXNPFEDSA-N 420.535 0.829 30 20 HCED Cc1n[nH]cc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918265906 KVUNXCRQOBKKKW-XQNSMLJCSA-N 418.479 0.786 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(=O)NCC(F)(F)F)C2=O)cc1 1116060591 LOFASSFGTHQEGA-GFCCVEGCSA-N 411.340 0.558 30 20 HCED COc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1-c1ccccc1 1343365132 GIDJVCWUKPJOTO-AWEZNQCLSA-N 402.432 0.460 30 20 HCED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1360488061 XVRFFGMLXOEVTH-LLVKDONJSA-N 405.409 0.898 30 20 HCED CC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1360833295 KZUQQPUAYARCOI-GJZGRUSLSA-N 424.527 0.530 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC1 1555558533 WHRRNEFVFGIXDS-INIZCTEOSA-N 410.544 0.642 30 20 HCED CC1=C(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](C)n2nnnc2N1C 1568505496 UPBLMIZKHJECDB-XJKSGUPXSA-N 406.450 0.747 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1674963131 UXZBVCGSTTVJGM-HOTGVXAUSA-N 415.494 0.842 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1711423805 NJQKJYJINXSNPN-SFHVURJKSA-N 403.512 0.943 30 20 HCED CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1728364448 OHRAJIQQSQEVRZ-QLFBSQMISA-N 413.548 0.347 30 20 HCED CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1731057307 LSOXTTCCLIWYHI-CHWSQXEVSA-N 414.557 0.903 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1744750750 IQDFIUQDCWDLKG-QGZVFWFLSA-N 423.477 0.390 30 20 HCED CC(=O)N1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1749818237 MMWFZXFTMQAWBE-ARFHVFGLSA-N 401.471 0.216 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1767483843 PNFACPXDIVKDSZ-RHSMWYFYSA-N 413.500 0.094 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1767707539 KBVBFJOYAALTKI-UWJYYQICSA-N 410.478 0.929 30 20 HCED CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1)[C@H]1CCS(=O)(=O)C1 1768540295 PCKUMLJBMCJRAL-LPHOPBHVSA-N 417.491 0.591 30 20 HCED CC[S@@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1778822169 WIGYBTOPPUCNJS-IEOKTVNUSA-N 409.508 0.687 30 20 HCED O=C1CC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CN1 1779063248 PRZOJXQBVZFLFJ-JTSKRJEESA-N 417.506 0.041 30 20 HCED Cc1cnoc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779103778 YQEBOEPXBDBLQO-VSWNAAFFSA-N 406.439 0.956 30 20 HCED O=C1CC[C@@H](C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CN1 1779133377 ZXALGEPRLALWLC-PTZOJGTBSA-N 402.451 0.055 30 20 HCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)n[nH]1 1779134631 LLRMMDRUPDVEPG-WHEDMDOKSA-N 413.434 0.768 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1779378486 NBEQLTRRQIQIEO-HXUWFJFHSA-N 424.417 0.876 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)NC(=O)C=C)C1 1779532256 KORCBYMCBGPATR-ZGPJWRFFSA-N 407.511 0.782 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781043551 PZIRILARVIDSKJ-WFXMLNOXSA-N 421.614 0.590 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(=O)OCC)CC1)CCO2 1781271400 PZRJEZVZILZDKZ-FQEVSTJZSA-N 422.478 0.669 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1781400770 PGCPDSFYVRJATN-SJKOYZFVSA-N 408.415 0.562 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1782202902 GMTZJKGXAXOUOX-TYCQWZJGSA-N 406.479 0.530 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)O)C2)C1 1783527528 CJPSLOFBZQDWLA-XSRQCEPYSA-N 423.510 0.667 30 20 HCED CCOC(=O)N1CCC(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1785372837 QBBUYGQWHWFFBD-FQEVSTJZSA-N 406.483 0.989 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1ccnn1)CCO2 1785378753 OMWIZIIQNRRAQA-FQEVSTJZSA-N 410.434 0.059 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785378934 YTCOTHYGDDATTG-DYESRHJHSA-N 400.479 0.765 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(=O)oc3)[C@H]2C1 1786278529 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C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(=O)OC(C)(C)C)C2 1797706567 HFTDUSXTWJDSPW-KRXQYRFLSA-N 410.511 0.881 30 20 HCED O=C(C/N=C/c1ccco1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]c1[N+](=O)[O-])C2 1797838676 LMPSJAFOZCKKBL-XHNKSWDCSA-N 416.394 0.233 30 20 HCED CC(C)O[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1797859287 KXYNSHVDKBYPNZ-FZRVHKMUSA-N 411.499 0.919 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c(O)cc(O)cc1O 1799658361 PIWXIUGCQHQBDI-GWLLULGVSA-N 420.462 0.580 30 20 HCED CN[C@@H](CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C)cc(C#N)c1)C(=O)O 1799799094 FNIZYVGVQRMKKZ-ZMMAXQRCSA-N 414.462 0.133 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@]1(F)CCCCC1(F)F)C2 1800778453 YGCBXXDXOQKQQY-RBNVPPIJSA-N 402.369 0.582 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cc1 1801653086 SJXOJXNWCADGQL-YYIAUSFCSA-N 405.520 0.943 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2CNC(=O)C2)C3)c1 1801764306 QXGYQNBGLQRGER-BIJUBFLFSA-N 410.474 0.653 30 20 HCED CC(C)[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801989280 ABPXQCLQWWZNFS-JSJNYSNDSA-N 401.463 0.544 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1806618444 BCSRXQPWTOLKRA-FKEBYFGASA-N 418.497 0.862 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807680546 MZNRVJOKXWPZFI-ICUGJSFKSA-N 406.552 0.765 30 20 HCED Cn1ccc(=O)cc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1811366032 JHFXIIXZUGOWDQ-YWZLYKJASA-N 408.414 0.188 30 20 HCED COc1nccnc1C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812875017 QDIHSKSXGJPZPC-KDOFPFPSSA-N 409.402 0.288 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@H](C)NC(C)=O)[nH]n1 1814439681 WXQKOSZPIKHDER-OKFNSAOFSA-N 416.482 0.785 30 20 HCED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H](O)N4CCOCC4)sc3C2)CCC1 1819892047 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MQEVRWXOHHYYHM-NQIIRXRSSA-N 405.495 0.161 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1831406129 VIYYPSDOZPCKEZ-RXVVDRJESA-N 409.527 0.520 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCSC(=N)N)C2)C1 1831424511 KYHKFUCNPQMOGN-KBXCAEBGSA-N 414.528 0.051 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1831425784 DPSNWGYXRAQIKH-MGPUTAFESA-N 405.451 0.448 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1831438239 MVOVGODRLVDBJB-WAOWUJCRSA-N 420.510 0.567 30 20 HCED C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)COCCOCCOCCOC)CC1 1831731827 FVRZRZSLFDWGCU-FQEVSTJZSA-N 424.538 0.936 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnn3)CCO2)C1 1831754016 BIOPOCLNZKOOFD-GUYCJALGSA-N 411.484 0.409 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1832462225 GAXYRPLKGXLISR-PDOICOKGSA-N 410.536 0.930 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1833270883 GTLZNESLZIISMO-LJQANCHMSA-N 407.492 0.309 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@H](C)n3cnnn3)CC2)CC1 1833707814 SDWWRNLMZRGZPL-HNNXBMFYSA-N 421.571 0.725 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(C)n3)CCO2)C1 1834208437 LRLHLSYGOFQFBS-OXJNMPFZSA-N 407.467 0.626 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)CCOC)CC2)CC1 1834560904 OELGWNZPERHQDD-PLNGDYQASA-N 406.527 0.453 30 20 HCED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1834985081 RDVXJWNQNINIHO-SMFJMBPBSA-N 413.471 0.008 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835915124 ZZTKEIDVCCIGRM-RXVVDRJESA-N 418.469 0.765 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnc5[nH]ncc5c4)CCO3)C2)CC1 1836810594 ZWJMWYPIPDGWTJ-HXUWFJFHSA-N 410.434 0.332 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3cc(Cl)ccc13)CCO2 1837088008 WQENRJYTZVNPHJ-IBGZPJMESA-N 402.838 0.920 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC=CO3)C2)C1 1837564357 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UCPWATLBVFWWJH-OXJNMPFZSA-N 406.483 0.051 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1840820556 WIZGTQUSPMHCLO-HXUWFJFHSA-N 417.437 0.896 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1841601469 SLLMKEVYPQBOPS-HZPDHXFCSA-N 423.510 0.504 30 20 HCED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1842827850 TVPGDEZYDYYJOJ-UHFFFAOYSA-N 404.559 0.109 30 20 HCED C=CCC(F)(F)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843131020 MPRDSKSVNICYPJ-UHFFFAOYSA-N 414.434 0.867 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1846980688 SJWNNDJXWVDEHX-QGZVFWFLSA-N 417.487 0.718 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1 409503985 UEKIADGCYBXHIQ-RDJZCZTQSA-N 416.450 0.933 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)CCO1 409593760 JFSDNAQAQUCQFA-KRWDZBQOSA-N 401.448 0.893 30 20 HCED CN(CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 434274944 NPOMVXIQBPWJMV-CGZBRXJRSA-N 406.508 0.878 30 20 HCED C=C[C@](C)(CCOC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 437612535 HGRDIBYMVACATJ-LJQANCHMSA-N 410.540 0.878 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1 441852456 YXRQLLSQYWXPHI-WFASDCNBSA-N 402.407 0.057 30 20 HCED CCN(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1)S(C)(=O)=O 443074676 TUAQUKHQZIGDKZ-UHFFFAOYSA-N 416.481 0.901 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C 478845048 UPCXPYUSSPAGAF-UHFFFAOYSA-N 411.462 0.801 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(CS(N)(=O)=O)cc3)C2=O)cc1 489209057 UMJIAFJTQOLPFK-SFHVURJKSA-N 412.471 0.878 30 20 HCED COc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1S(=O)(=O)N1CCCC1 491376226 PPOHTYZPNFVMIP-AWEZNQCLSA-N 422.463 0.169 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(C(=O)OC)cc(C(=O)OC)c2)c1=O 499306154 BEWRCSXGWQPOTE-UHFFFAOYSA-N 415.402 0.165 30 20 HCED N#Cc1ncn(CC(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)n1 501822874 MCVXGGDJTQBUKI-SFHVURJKSA-N 407.478 0.485 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3ccn(CCC#N)n3)C2)cc1 506655066 KJBTUAHCWVCZCV-UHFFFAOYSA-N 404.452 1.000 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 508328151 VMRUBHLULSRWOC-XJKSGUPXSA-N 407.448 0.167 30 20 HCED C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508461246 KIPBOELDBKBSSS-UHFFFAOYSA-N 419.530 0.556 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)C(=O)C1 508901589 GDNFEASZXFNGTK-UHFFFAOYSA-N 423.477 0.673 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514024583 MOCWNFJDZPFURL-IFXJQAMLSA-N 419.507 0.713 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 515322248 VSGJHTLFQWIJLN-LBPRGKRZSA-N 422.385 0.444 30 20 HCED Cc1ccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1S(=O)(=O)NCC#N 524578493 SMYRPNXQDAFIJT-INIZCTEOSA-N 421.523 0.114 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 527085609 NGUKCIDSXBAEPD-LSDHHAIUSA-N 421.475 0.700 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCOCC 531630153 KHVGZJQJSFNVIY-UHFFFAOYSA-N 400.504 0.679 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1 538167367 CVYKDVCBMCBGFE-HZPDHXFCSA-N 417.466 0.685 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)n1 539177294 HCYUZINQKVPBGY-LJQANCHMSA-N 420.539 0.772 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 542599894 HDNTVWNMZTYZHB-UHFFFAOYSA-N 416.478 0.193 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cncn4)nc3)C2)nc1 551067464 YLKRPDULPLNBOB-HNNXBMFYSA-N 404.390 0.547 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 551088452 GIVYEUWIUWXSQO-UHFFFAOYSA-N 406.446 0.278 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCO[C@H]3CCCC[C@H]3C)CC2)c1C#N 551154099 ONSRZIMFHVLOSF-QAPCUYQASA-N 416.526 0.960 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)CC1 553669773 JHDSIBYMVYSDKW-YOFSQIOKSA-N 403.571 0.522 30 20 HCED CN1C(=O)COc2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 555917941 PEUSYWGRESIIGE-UHFFFAOYSA-N 420.429 0.596 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)n1 557660057 CQNROFZOTMFVML-UHFFFAOYSA-N 407.411 0.957 30 20 HCED C[C@H](NC(=O)CCC(=O)NCC(=O)NCC#N)C(=O)c1ccc(Br)cc1 567070804 IOPRHJXECCFMLH-NSHDSACASA-N 423.267 0.673 30 20 HCED CN1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574311280 PQJYWQXURAKFFG-XUVXKRRUSA-N 423.517 0.718 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 578018666 WXARUFVWASCBTF-OALUTQOASA-N 420.554 0.651 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2nc3ccccc3s2)CC1 583877622 SBUFTRSRCPRNAU-UHFFFAOYSA-N 401.492 0.359 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cncc(C#N)c2)c1 584082836 MJRMNNWZOHDBMG-LLVKDONJSA-N 423.476 0.167 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 610807109 JPSSIAIVTHRXRX-WBVHZDCISA-N 419.551 0.510 30 20 HCED Cn1cc(C#N)c(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)n1 611557526 SRMBHSOFUZHCOQ-UHFFFAOYSA-N 418.435 0.258 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@](F)(C#N)C3)c2)CC1 615605371 YXQOEISGNYUEEA-GOSISDBHSA-N 408.455 0.617 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615632933 YGWJBBMQASTIEU-GOSISDBHSA-N 424.454 0.419 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)N2CCN(c3ccccc3)CC2)C1=O 623209522 JDZIUHYWTBHSLM-INIZCTEOSA-N 413.478 0.290 30 20 HCED CCOCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(C)c2)c1=O 725764013 DXZABRAPICZNDY-UHFFFAOYSA-N 423.498 0.822 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(C)CCOc2ccc(Cl)cc2)CC1 728573826 WJBZMVVDJXFQFJ-UHFFFAOYSA-N 406.914 0.544 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)C1=O 741982720 ZTEYWKNMMZLNAK-UHFFFAOYSA-N 413.478 0.814 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 744024453 XMAQGCNJVJIFDP-OAHLLOKOSA-N 409.464 0.024 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(N3CCOCC3)n2CC(C)C)CC1 748652404 VFQLVFLJAJRVPH-UHFFFAOYSA-N 406.556 0.640 30 20 HCED C#CCOCCC(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 756303425 KFXIVOZAFYBQRB-LJQANCHMSA-N 403.391 0.077 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2cnn(C)c2)c1=O 758049511 FWGXHGRODDBSOW-RHSMWYFYSA-N 409.515 0.474 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 758646418 XPNCONOYJVEEPJ-DGCLKSJQSA-N 413.456 0.093 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1cccnc1-n1ccnc1C)c1cc[nH]n1 772147542 FDSOPLPKDUWHPH-UHFFFAOYSA-N 411.422 0.899 30 20 HCED CN(CC(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cccnc1 774239704 DHUJKECQBNRSML-UHFFFAOYSA-N 410.452 0.758 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCn2c(S)nnc2CC)cc1 780102191 IXFVEMROUQQAJG-UHFFFAOYSA-N 402.480 0.800 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCOC3)c2=O)cn1 781659382 BAARXFVJZRNUDM-CQSZACIVSA-N 412.515 0.942 30 20 HCED COC(=O)C1(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 782061630 CJCHWWOFSUODOP-ZDUSSCGKSA-N 423.491 0.590 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@]3(CO)C2)c1 782742542 NNVKJYHQZGMPOW-FTWXIHLNSA-N 420.491 0.279 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 783011420 OOEDMQRQEAVLME-UHFFFAOYSA-N 421.566 0.801 30 20 HCED C#CCN(C(=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC)[C@H]1CCS(=O)(=O)C1 783479665 FZKQBOHBQIVKFQ-LBPRGKRZSA-N 412.489 0.739 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)n1 789788028 DSALDMQTYZTTTN-KRWDZBQOSA-N 423.473 0.734 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)c1 790958914 TZPLWSRMTSJTMZ-OAHLLOKOSA-N 409.446 0.989 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cc([C@@H]2CCCOC2)nn1C)c1cc[nH]n1 791170526 WDBYPULVPSZOBI-GFCCVEGCSA-N 404.427 0.960 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)CC1 791980168 SKDFXEXCCNXBAU-INIZCTEOSA-N 407.496 0.042 30 20 HCED N#C[C@H](C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cnc2ccccc2n1 792100645 NRTCOSCSYJHKBM-OLZOCXBDSA-N 411.443 0.972 30 20 HCED C#CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 802577156 RQFRWLPDNWQMGN-AWEZNQCLSA-N 421.475 0.290 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1COCCN1CC(F)(F)F 802765255 REVVWQQATFABAR-NSHDSACASA-N 407.370 0.635 30 20 HCED Cn1c(N)c(C(=O)COC(=O)C(C)(C)c2cc(F)cc(C#N)c2)c(=O)n(C)c1=O 803926471 AUERENLDRAUALV-UHFFFAOYSA-N 402.382 0.381 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1)[C@H]1CCCO1 809311174 UMIDRCXPKIGRCY-RBUKOAKNSA-N 418.538 0.219 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 810985688 QJYYGRPXQJBSJQ-UHFFFAOYSA-N 405.476 0.880 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)Cc1ccncc1Cl 819588424 FASAALFDEKPFQS-LBPRGKRZSA-N 422.894 0.741 30 20 HCED C/N=C(/NCCN1CCOCC1)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1 849055802 HPZINYAAHIFZFJ-FQEVSTJZSA-N 405.543 0.566 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1 891282966 HUCIXFHSVZRDLI-UHFFFAOYSA-N 421.500 0.306 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)COc3cccc(C#N)c3)CC2)C[C@@H](C)O1 917097269 JZADVBYLWQVCKA-HZPDHXFCSA-N 422.507 0.435 30 20 HCED C=CCN(CC=C)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1110840812 CBOGBYSYDDRUHU-WGEHRRGWSA-N 403.523 0.960 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1254963664 UNUNSHNMDNKMNG-CZUORRHYSA-N 400.478 0.581 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1301968178 KNUABKLQQVRMNT-OLZOCXBDSA-N 403.530 0.211 30 20 HCED C[C@H](CC(=O)N1CCN[C@@H](c2cnn(C)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1302045716 JIMCJZUXXGKQQF-CZUORRHYSA-N 416.507 0.410 30 20 HCED C[C@H](NC(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nncn1C 1337026950 YRZQCFRHOOALNY-GOEBONIOSA-N 421.465 0.717 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1435857994 BVDDCFNBDDXMIP-SFHVURJKSA-N 408.462 0.702 30 20 HCED COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1543741480 YFSSBHZDUSDGDY-HUUCEWRRSA-N 422.507 0.679 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 1611444451 RADQVDPJYBRKNS-INIZCTEOSA-N 404.492 0.840 30 20 HCED CCc1nc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 1624926437 NFLWZWVSKHLGLA-UHFFFAOYSA-N 402.480 0.956 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)cn1C 1642916483 ZOMMKEFRIMTJLE-UHFFFAOYSA-N 408.528 0.187 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1706075553 PISFKSKYOZJCIJ-UONOGXRCSA-N 423.499 0.485 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1752451405 WNBJUYUSVSNQPX-JCKWVBRZSA-N 409.512 0.460 30 20 HCED CCc1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccc(C)s1 1764943677 RXLNREFGVZNSME-CYBMUJFWSA-N 410.525 0.918 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCO[C@@H]1C 1771109531 UZRZNXZFHCCZDK-BEFAXECRSA-N 406.487 0.420 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cccnc34)C2)C1 1778446348 SKENNUPXQGIMCO-KKSFZXQISA-N 413.478 0.746 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1778958141 YBFQDTNCUNJDLB-QVKFZJNVSA-N 413.478 0.709 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067725 ZOXHIXLQWAHAJU-HRAATJIYSA-N 405.495 0.040 30 20 HCED Cc1nccnc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1779779615 SJXJDUFRAWJEQM-JOCHJYFZSA-N 412.490 0.927 30 20 HCED COC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781792576 UUXADTSXFLWKND-HXUWFJFHSA-N 400.435 0.552 30 20 HCED Cc1cccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782010825 GMMWFOWIOFEWPC-XMSQKQJNSA-N 413.474 0.925 30 20 HCED Cc1noc(C)c1CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782011272 SNIFRWWWASNEEY-OXQOHEQNSA-N 403.435 0.436 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCN1C(=O)C=CC1=O)C2 1782175252 PTFFWYMRQZZVNI-IQUTYRLHSA-N 409.508 0.134 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782856431 SXJSMYSYYOOWEP-VFNWGFHPSA-N 414.462 0.085 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1783557630 IVYHELBXSFATPE-OFLPRAFFSA-N 400.353 0.637 30 20 HCED COc1cccc(OC)c1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783565667 OQRURTIRKZRPJM-HXUWFJFHSA-N 402.403 0.235 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCC3)[C@H]2C1 1783589388 VWNCNUIWVGSMON-BZSNNMDCSA-N 407.511 0.571 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(N4CCOCC4)cn3)CCO2)C1 1783888074 ZGTFWRZOUVRRMG-FOIQADDNSA-N 420.535 0.680 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)c3ccccc3Cl)C2)C1 1784251373 VLHJGROLJZZIHB-MJGOQNOKSA-N 406.822 0.291 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(CCN(C(=O)CCn4ccnn4)C3)C2)c1 1784532387 HNMUJPLNTKACKY-HXUWFJFHSA-N 412.425 0.823 30 20 HCED CC(C)N(C)CC(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1784772881 GYAGWTUWTWEJGH-DSLRRYSGSA-N 410.515 0.686 30 20 HCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)ON=C(C)C)C[C@@H]32)n(C)n1 1785615645 TWSVEZIUXDPGRQ-AESZEHBQSA-N 421.498 0.823 30 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C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)C1=O 410312487 CUZBESCBKZIJRR-AWEZNQCLSA-N 413.521 0.628 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)n1 427685796 OIVGEPAJNKBDQP-MIVYFUEISA-N 409.490 1.073 30 20 HCED CN(C)CCN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1CCCC1 429794540 VRYRVENEKXHNKN-UHFFFAOYSA-N 409.494 1.469 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCOc3ncccc3F)n2)cc1 438265393 CVXAQVBYJIMNEP-UHFFFAOYSA-N 409.381 0.866 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)C1 439054621 BCZQXIPCGJAECN-KUHUBIRLSA-N 417.491 0.323 30 20 HCED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 440141225 YVFMAICBDGOOHY-IBGZPJMESA-N 405.455 1.092 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NC[C@H]1CCS(=O)(=O)C1 443067654 FRLGWKNRMQYDMA-GHMZBOCLSA-N 419.912 0.429 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)F)n3)CC2)c(F)c1 444510454 DRTPQATYABUNMA-UHFFFAOYSA-N 406.368 1.446 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)NCc1ccccc1 460582775 DOYDTJXYFALCPX-AWEZNQCLSA-N 417.429 0.899 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CNS(=O)(=O)c1cnn(C)c1 461722190 BAYHPODWHRVDOC-UHFFFAOYSA-N 400.424 0.098 30 20 HCED COC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccn(C)n1 470766077 PIOMTEIYYUWUSB-HNNXBMFYSA-N 405.436 0.175 30 20 HCED Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(CCC#N)CCN3CCOCC3)n21 471234525 JOHVEFMKAVBGLZ-UHFFFAOYSA-N 409.494 0.938 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)n(C2CCCC2)c1C 485427792 XUCAORYBWOYIRH-INIZCTEOSA-N 412.494 0.673 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(CC(=O)N(CC)C[C@H](C)C#N)CC1 488204451 RGNPRGYZNKUYQB-QGZVFWFLSA-N 401.577 0.979 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NCCCC)c2)C1=O 499084398 JYQCCTRIDHAFMY-UHFFFAOYSA-N 422.463 0.680 30 20 HCED CCN1CCN(CCCCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 511034364 ZPOCCAMTPIWMSO-UHFFFAOYSA-N 421.567 0.944 30 20 HCED N#CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 511896464 NEWFKFRISMJKIB-UHFFFAOYSA-N 419.916 0.447 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)nc1 518210832 XYLXPXCBBMFGNH-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#CCCCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 521859299 QSBAOOBXQXZPDA-UHFFFAOYSA-N 401.510 0.821 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(OC)c(F)c1 523299343 LXLKYOGQFLBRNV-UHFFFAOYSA-N 413.434 0.029 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)cc1 524180541 HGIKLRSDRAQWET-HNNXBMFYSA-N 408.480 0.081 30 20 HCED COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 527089062 FFGMUKXAXWIJCX-UHFFFAOYSA-N 402.386 0.819 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 532217919 CTZRPRHHUJKWEP-QEJZJMRPSA-N 413.521 0.697 30 20 HCED CCOC(=O)CN(C)C(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532642547 CCYWBKDUEUWACN-UHFFFAOYSA-N 401.423 0.950 30 20 HCED Cc1oc(NC(=O)[C@H](C)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c1C 533057378 LQSGRNNIFFXOIQ-VBNZEHGJSA-N 410.496 0.183 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnn(C)c2C)cc1 534687399 HFPUKEUUVCBQHV-UHFFFAOYSA-N 405.480 0.790 30 20 HCED CCCN(C(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCS(=O)(=O)C1 536344107 RZHVTNFONQLWHX-ZIAGYGMSSA-N 410.544 0.542 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 538059092 MSYCBUGLWHMNGQ-SNVBAGLBSA-N 400.361 0.728 30 20 HCED CN(CC(=O)N1CCOCC1)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 539368070 FFPQDPGYEUKNQH-INIZCTEOSA-N 405.524 0.248 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 541154842 NSSIAZGNSFTLFA-UHFFFAOYSA-N 424.870 0.391 30 20 HCED CCN1C(=O)CCc2cc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)ccc21 544730094 DVVXJJCPXCZUPC-UHFFFAOYSA-N 409.450 0.850 30 20 HCED CC(=O)N1CCc2ccc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cc21 548041301 HUQCRJBCKDJTFL-UHFFFAOYSA-N 416.463 0.828 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@]1(N3CCOCC3)CCSC1)CC2 557053919 ODDOYZILZWGDTD-FQEVSTJZSA-N 400.504 0.771 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)CC1 557325339 UEBRGOVTBIRVJA-UHFFFAOYSA-N 419.429 0.633 30 20 HCED Cc1cnn([C@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)c1 558544224 ZKTMDWKWPPVEAF-KRWDZBQOSA-N 404.434 1.115 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(CS(C)(=O)=O)CC1 560147849 FYBISGXQMVSISS-UHFFFAOYSA-N 423.491 0.805 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cncnc3N(C)C)CC2)c1C#N 578056471 NZSJOLKKPLAMTG-UHFFFAOYSA-N 400.468 0.467 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(C(F)(F)F)cs2)CC1 579364845 BIFGTQQMCDGZIC-UHFFFAOYSA-N 405.402 0.547 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 579530778 GJTQWZCZQKLAIE-MRXNPFEDSA-N 404.492 0.601 30 20 HCED CCC1(CC)[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@H]1OC 581481032 MGPKDOFVFLFCBI-DLBZAZTESA-N 416.526 0.959 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c1 583412957 DOIJHCINALYWAC-UHFFFAOYSA-N 422.898 0.572 30 20 HCED CC(C)c1ccc(CN2CCN(C(=O)Cn3c(=O)c(C#N)cn(C)c3=O)CC2)cc1 585732188 YQWMJTKAFYPMLW-UHFFFAOYSA-N 409.490 0.886 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 590284850 PNAMDHBZALYXPF-KRWDZBQOSA-N 409.450 0.616 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1 603786391 AIWKPFZCOBESOJ-UHFFFAOYSA-N 406.467 0.560 30 20 HCED C=CCCCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 606141079 PTIVRMNAVKJXGE-UHFFFAOYSA-N 408.524 0.986 30 20 HCED COC(=O)[C@@H](COC(C)C)N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 610848712 LJABIWHCIOVDIH-MRXNPFEDSA-N 407.471 0.402 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 611026906 QXMBMZOBLZUNCF-HWPZZCPQSA-N 407.408 0.465 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615628460 ATDCFJKVNNNCFL-FQEVSTJZSA-N 417.441 0.485 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 617181312 MKAZIRHGJVVLDI-GOEBONIOSA-N 405.476 0.577 30 20 HCED C#CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403755 MWEVTZQGSWCFJA-MEUCICPISA-N 420.516 0.436 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 728532452 ZXCCWWNCAUONKE-QGZVFWFLSA-N 402.882 0.587 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 729281919 SFIKKCOEUQDETJ-UHFFFAOYSA-N 417.506 0.929 30 20 HCED Cc1ccc(N2C[C@@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1F 732909617 DROJJMZPVFYZIV-DZGCQCFKSA-N 421.450 0.453 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC1 733149117 YTAOHUNEZLTNIV-UHFFFAOYSA-N 421.519 0.143 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 733297610 LZPORZVMFOMCSU-CRAIPNDOSA-N 405.480 0.296 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 743913586 KGLGSUIFNJIYJG-UHFFFAOYSA-N 423.397 0.879 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H]1CCOC1 743939706 GKJZJOLBZOFLIK-HHIFVKLFSA-N 422.507 0.979 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 746565849 KJMQXCVTPXXFGV-UHFFFAOYSA-N 420.433 0.467 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 747978936 WCAUOYHAUVBEQL-HGVMIPIXSA-N 409.468 0.217 30 20 HCED CC(=NNc1nccn(C)c1=O)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 748081148 ZDVRAISJCBJOBS-UHFFFAOYSA-N 413.481 0.342 30 20 HCED C=CCCOCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 748374763 FUKXHJYJBIADAR-UHFFFAOYSA-N 417.528 0.672 30 20 HCED CS(=O)(=O)CC1(COC(=O)CNS(=O)(=O)c2ccccc2C#N)CCC1 753338600 VANGIPPGYKRKMC-UHFFFAOYSA-N 400.478 0.595 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755538736 TVQHIIRQWHOODT-DZGCQCFKSA-N 415.450 0.860 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cc(C#N)cs2)c1=O 758071509 KLLJVLBWEYPFFR-UHFFFAOYSA-N 420.475 0.889 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 758076115 MDRLGPWPTIUZBJ-UHFFFAOYSA-N 407.373 0.691 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)c2nc(N)nc(Nc3ccccc3)n2)CC1 761037849 LOLJIAJHAAWNQH-CQSZACIVSA-N 416.511 0.344 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 765523881 CDVAJMNRGUVFAO-MAUKXSAKSA-N 420.535 0.985 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cnc(-c3ccccc3)s2)c(=O)n(C)c1=O 771891165 JUJDECBSKCJGHH-UHFFFAOYSA-N 405.461 0.520 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 773423199 UXBYYDNVWFUTJK-UHFFFAOYSA-N 412.450 0.150 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)[C@@H]1CCCO1 773790742 NOPFYHPMSZNKGY-PBHICJAKSA-N 421.475 0.371 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1CCN(C)C1=O 774022482 HHQFQPZMXBAFMM-OAHLLOKOSA-N 412.402 0.388 30 20 HCED C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)[C@@H]1CCCO1 775338770 HNBDOFAHUZYICV-BQFCYCMXSA-N 422.503 0.525 30 20 HCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780051573 SZZMFDBGLWYRON-AWEZNQCLSA-N 402.451 0.917 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(SC(F)F)nc1)[C@H]1CCS(=O)(=O)C1 783478884 FWTGCKDWSQWKCS-NSHDSACASA-N 403.432 0.984 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCNC(=O)OCC(F)(F)F)CC2)c1C#N 788261934 MDAWTQFHGZMVAS-UHFFFAOYSA-N 402.377 0.927 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)n1 789793868 SPTCYRMWAFPILZ-UHFFFAOYSA-N 423.473 0.976 30 20 HCED C[C@H](CC(=O)N1CC(=O)N(CC(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 792688767 IEVNLDBTUIRBRZ-SNVBAGLBSA-N 418.397 0.694 30 20 HCED C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)n1 795189128 OEMYUPFHWNFBGE-UHFFFAOYSA-N 410.521 0.944 30 20 HCED C#CCC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 799077950 VBXYZDDUYXMMIL-KRWDZBQOSA-N 407.492 0.044 30 20 HCED C=C(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 802579791 GWKRAVRATCMGQF-ZDUSSCGKSA-N 401.858 0.717 30 20 HCED C#CCN=c1nc(N2CCN(CC3CC3)CC2)[nH]c(N2CCN(CC3CC3)CC2)n1 804360401 DFXRDNUHDIYTRC-UHFFFAOYSA-N 410.570 0.403 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)CC1 807514995 UZIHMMXYLSCECU-AYHJJNSGSA-N 403.527 0.241 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)n1 809496876 YKSBKRZVKBFCTJ-OXQOHEQNSA-N 420.535 0.662 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 849072321 DVKPTKQHEREMLJ-UHFFFAOYSA-N 409.556 0.468 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccn(CC(N)=O)n1 918686291 PMPVZDHLEAKACZ-ZDUSSCGKSA-N 418.479 0.604 30 20 HCED CN(C)C(=O)[C@@H]1CN(C(=O)c2ccc(C#N)cn2)CCN1C(=O)c1ccc(C#N)cn1 1116259575 JOJKDTCZGXNMAQ-SFHVURJKSA-N 417.429 0.275 30 20 HCED CS(=O)(=O)CC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1117768298 ZZBOUYPJYPYIFJ-UHFFFAOYSA-N 413.521 0.775 30 20 HCED CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1297807360 WEQISJMTNZXLPV-GUNSETOZSA-N 413.507 0.799 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1319074874 GIVGMDJOFPTJCL-UHFFFAOYSA-N 422.482 0.822 30 20 HCED C[C@H](CC(=O)N1CCC[C@@H](N2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1449807852 ZTVMARNXJRSOGZ-HZPDHXFCSA-N 420.535 0.827 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2cc(F)ccc2Br)c(=O)nc1O 1561765242 ZFUOYQWLGNNWAK-UHFFFAOYSA-N 417.216 0.701 30 20 HCED N#Cc1cn(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)c(=O)nc1O 1627898696 PPTUJXKZFACXPD-ZDUSSCGKSA-N 403.395 0.500 30 20 HCED CCc1ccc(C(=O)N2CC[C@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1638967753 FWVCLNSQYHJZLQ-LJQANCHMSA-N 407.492 0.761 30 20 HCED Cn1ccnc1[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1654637558 MTWPRMNJZMIZPY-GOEBONIOSA-N 403.464 0.607 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H](C#N)C3)CC2)cc1 1660079087 IJLPBHBHVBZDGQ-QGZVFWFLSA-N 418.519 0.958 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN(C)S(=O)(=O)CC 1744695938 DAIYBGVYQCOASY-MRXNPFEDSA-N 409.560 0.689 30 20 HCED CCC(O)(CC)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1764293597 LKSPWJUOCXKTRB-CHWSQXEVSA-N 400.505 0.168 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)CC1 1769349632 FSTXWWQSUSWXJI-FQEVSTJZSA-N 411.466 0.430 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2)C1 1778977821 YNSBAOQTEUYSPP-LLGFUMIMSA-N 409.527 0.694 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099584 ILOWMGWXPZTYEF-XIBLASPXSA-N 424.498 0.260 30 20 HCED COC(OC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779360560 BLZTXISMSWKJQM-VSGLPAARSA-N 410.515 0.591 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnncc2C(=O)O)C1 1779691397 HLLZGDMHDXQPIF-FOIQADDNSA-N 415.450 0.852 30 20 HCED C[C@@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1780724315 VMRGBYQTGQBMLL-DBXWQHBBSA-N 419.522 0.333 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@H](O)CN4)C3)C2)c1 1781050598 DYBNNIHJIFVLSN-KRDZULTMSA-N 412.490 0.480 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c(C#N)c1 1781174059 LRHINPONMBOELJ-FQEVSTJZSA-N 410.434 0.371 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1781269637 DICROZIDZBTHML-NRFANRHFSA-N 401.463 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CC(C)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1 480417414 OGKWNWYYKTWCSR-YJBOKZPZSA-N 408.524 0.698 30 20 HCED Cn1ccc(=O)n(CCCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1=O 505069675 ZLXKSGWIUJMGLW-UHFFFAOYSA-N 411.462 0.780 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](NC(=O)NC)C1 508471235 FLVILUNOOAILBD-ZDUSSCGKSA-N 408.466 0.886 30 20 HCED C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508868066 SOPHPFUKEJMGCD-CQSZACIVSA-N 412.450 0.295 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc3c(cc2Br)OCCO3)n1 511416207 RTDLIIYSNHYDSO-UHFFFAOYSA-N 414.241 0.662 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3OCCC(N)=O)CC2)nc1 517335989 IYBPATFGDYNMKB-UHFFFAOYSA-N 422.445 0.495 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)n(CCC#N)n1 519562863 GBSLLHGTSARKJX-AWEZNQCLSA-N 402.842 0.910 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1=O 523312227 DRSIFIVSWXXZHK-AWEZNQCLSA-N 404.423 0.054 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(c2cc(N3CCOCC3)ncn2)CC1 531841376 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406.381 0.723 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(CCN3CCOCC3)CC2)c1 573079365 VWLDLHYLSKOZSP-UHFFFAOYSA-N 420.535 0.797 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNC(=O)c2ccc(O)cc2)c1 581303135 GUAGIJRJVZFJCC-UHFFFAOYSA-N 402.432 0.088 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 585688081 YANQTOMTKLWROM-UHFFFAOYSA-N 412.538 0.025 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588653645 PWIIBBJXLPMSDC-ZBFHGGJFSA-N 417.466 0.382 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccn2)c1=O 603795817 URAAUBCMJZRGLQ-UHFFFAOYSA-N 400.504 0.759 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCc2cccnc2)c1=O 609038208 IHWQBWUZGZCMMX-UHFFFAOYSA-N 420.498 0.063 30 20 HCED Cc1nn2cccnc2c1C(=O)NCC#CCNC(=O)c1c(C)nn2cccnc12 681340559 KSWRZIGHZMLQHK-UHFFFAOYSA-N 402.418 0.552 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](n3cncn3)C2)cc1 681625194 OJJYFEHDIIMOFL-HNNXBMFYSA-N 418.479 0.497 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)C1CC1 725955745 STTOYUJDOBNJCR-JXXFODFXSA-N 403.410 0.753 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)c1 726581227 PNVVAABZQGSWIT-UHFFFAOYSA-N 415.478 0.395 30 20 HCED COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 728539316 WHVDABJIZRRUSO-GJZGRUSLSA-N 423.491 0.540 30 20 HCED O=S(=O)(NC1CC1)c1ccc(NN=C2CCN(CCN3CCOCC3)CC2)nc1 731558580 ARUSKHYKSHSYBL-UHFFFAOYSA-N 422.555 0.718 30 20 HCED COc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1OC(F)F 732909721 FXQDAIXNLNXTMY-LLVKDONJSA-N 402.375 0.876 30 20 HCED Cc1nc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)no1 743933846 VAXDWJLSCQKSBI-JCMHNJIXSA-N 420.451 0.446 30 20 HCED CCN(C)S(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 744241553 IESWGEGFOBDVJX-UHFFFAOYSA-N 416.525 0.598 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)n1 747545515 ZYQMVZZAJLBDSA-UHFFFAOYSA-N 412.454 0.843 30 20 HCED 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30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1-n1ccc(C)n1)[C@H]1CCS(=O)(=O)C1 783480546 RSLOIUCHZIVAOI-HNNXBMFYSA-N 400.460 0.768 30 20 HCED CCS(=O)(=O)CCn1cc(C)c(NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)n1 786730043 FLTMYTZRIVAXTO-UHFFFAOYSA-N 422.515 0.900 30 20 HCED C#CCn1cc(CNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cn1 788211272 DNCYFCVKNVYGBT-UHFFFAOYSA-N 403.464 0.412 30 20 HCED COc1nc(Br)ccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 789556414 WLDNSTJZNBZWLC-UHFFFAOYSA-N 422.243 0.717 30 20 HCED C[C@H](C(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1)n1cnc(C#N)n1 798973366 WWLRQSMXZIRGPF-LLVKDONJSA-N 416.446 0.525 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cn1 801284900 GIIQPOKUNKUVSB-UHFFFAOYSA-N 420.385 0.806 30 20 HCED CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC)CCN2C1=O 802433481 WAASIVZJLGYSKF-MRXNPFEDSA-N 409.450 0.936 30 20 HCED C#CCN=c1nc(N2C[C@H](C)S(=O)[C@@H](C)C2)[nH]c(N2C[C@H](C)[S@@](=O)[C@H](C)C2)n1 804647755 BJJXKOVXTKRINC-NUODMBPESA-N 424.596 0.030 30 20 HCED 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CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 497880001 GIJPACCBQGZAFN-UHFFFAOYSA-N 422.283 0.540 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O 500818424 WFEHFCRLBVRJQK-JTQLQIEISA-N 405.270 0.844 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 505894786 RJVFQLXRRNMSLE-UHFFFAOYSA-N 419.551 0.769 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 513391290 XPEBYNHKBDZAIB-HZPDHXFCSA-N 406.508 0.942 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)cc2)c1=O 514306986 PLMAEUIUGMNUAT-UHFFFAOYSA-N 415.515 0.984 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)N(C)CCC#N)c(=O)n2Cc1ccccc1 522152699 JCUXIEOUFVASGM-UHFFFAOYSA-N 424.461 0.426 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCOCC 523744381 FRZHBRHVBCFNIC-UHFFFAOYSA-N 413.499 0.760 30 20 HCED Cc1c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cccc1S(=O)(=O)NC(C)(C)C 525322465 NJKDZRJQNRHKJZ-CYBMUJFWSA-N 408.480 0.761 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@H]3c3ccccc3)CC2)o1 533526142 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0.607 30 20 HCED Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)s1 575867119 UFRNDONWMOOPNQ-UHFFFAOYSA-N 407.477 0.018 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)cc1Br 583240536 HZUITDBITJNJST-NSHDSACASA-N 423.266 0.193 30 20 HCED CC(C)(C)OC(=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588101488 TWQGLGDSEGDZPY-UHFFFAOYSA-N 417.466 0.920 30 20 HCED CCOC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(CC)c2=O)oc(C)c1C(C)=O 603724439 XXXLZTSPZBDSOQ-UHFFFAOYSA-N 416.390 0.821 30 20 HCED CC1CCC(NC(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)CC1 609335438 FXJOPDGNQNAPHP-UHFFFAOYSA-N 404.559 0.996 30 20 HCED CC[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)N1CCOCC1 610647663 AYSWYHKAAKQDGU-OAHLLOKOSA-N 416.482 0.893 30 20 HCED CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N(CCC#N)CCOC)cc2)CC1 615256141 XNASVZUGKGLCHT-UHFFFAOYSA-N 415.494 0.791 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C 618434401 WHNOWEOMXMHYTI-UHFFFAOYSA-N 401.463 0.865 30 20 HCED 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CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C#N)C1 754388573 ZRFOGKOYDPRJDS-WPCFGXOUSA-N 403.439 0.874 30 20 HCED C=CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@H]1CCS(=O)(=O)C1 754409559 MXUBJHJVWJDNQL-VIFPVBQESA-N 410.876 0.942 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2coc3ccccc23)c1=O 758059614 QTDKNEOOYXBRMJ-UHFFFAOYSA-N 419.462 0.651 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(-c3cnc(COC)nc3N)no2)c1 763347380 KRTNBZLZFJFCBX-UHFFFAOYSA-N 400.420 0.834 30 20 HCED CC(C)CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767637667 OXCFQVFFNNOXSC-STQMWFEESA-N 424.479 0.639 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(Cl)nc2sccn12 771896611 DNJOVGGFLSZSNB-UHFFFAOYSA-N 416.872 0.149 30 20 HCED C[C@@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CN1Cc1ccccc1 771897250 KNWPRXFSTWFNCC-CYBMUJFWSA-N 405.480 0.013 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(OC)c2)c1=O 772328775 HOSDYBSTNNWXFA-UHFFFAOYSA-N 411.483 0.126 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCS(=O)(=O)N(C)C 774530255 MITFHAPUMASFEA-LBPRGKRZSA-N 403.482 0.050 30 20 HCED C#C[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@@H]1CCCO1 775616891 GRVPKPPVVVARBY-CVEARBPZSA-N 407.496 0.466 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CCCO1 775806880 OFOJJHRBWCQHJG-ZWKOTPCHSA-N 409.483 0.429 30 20 HCED COC(=O)[C@@H](Cn1ccnc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 779561849 IDIBXIQGXWLTLR-OAHLLOKOSA-N 405.436 0.047 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C 783347962 OSVZGUGOHRJZFQ-UHFFFAOYSA-N 423.491 0.123 30 20 HCED CNC(=O)CNC(=S)NN=C(C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 783842358 KRNYEIPTVGIFQD-OAHLLOKOSA-N 407.496 0.610 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 798860786 UOYYEPWLBSRZCP-NSHDSACASA-N 412.472 0.556 30 20 HCED CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOC)CCN2C1=O 802540119 OVWWFICZUFQQQE-MRXNPFEDSA-N 409.450 0.936 30 20 HCED 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C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3ccnn3)CCO2)C1 1839710937 KQKXFLWDKHZIRJ-RHSMWYFYSA-N 413.425 0.507 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715141 JDCRLNRRZQEAAT-UTKZUKDTSA-N 420.510 0.221 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770056 BJGJRBHCSXKVME-HOWJYONSSA-N 413.446 0.330 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)nc4ccc(O)cc34)C2)C1 1839808157 LZYJAWTZHCAAKY-QFIPXVFZSA-N 409.442 0.952 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839876759 ZNRJXGHASOYGKC-VGOFRKELSA-N 413.474 0.019 30 20 HCED Cc1nc(N)sc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840159935 RMARBFJBTRREHN-BZNIZROVSA-N 400.526 0.422 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4n[nH]cc4c3)C2)C1 1840159941 RQGFMTZKAWEEDT-YJYMSZOUSA-N 404.492 0.951 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1840203988 DPUQRECNBWJBTA-JTSKRJEESA-N 415.490 0.982 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCn1ccnc1C)CCO2 1840390163 UIXCCHSDVAXPNK-NRFANRHFSA-N 402.495 0.842 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)COc3cccnn3)CCO2)C1 1840408084 FPQCLNDSULPIIE-MJGOQNOKSA-N 424.523 0.266 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841627659 IRXLWHPBZLVRQX-HNNXBMFYSA-N 408.480 0.914 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)C#Cc1ccccc1)C2 1844285583 NHADJLFMLWEYEF-LJQANCHMSA-N 412.442 0.736 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)C2(C#N)CC2)C3)C1 1845105029 AEAJGJHUTVQJJM-CABCVRRESA-N 418.494 0.721 30 20 HCED N#CC1(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)CCC1 1846974858 ZBZACVWVDDZTAP-UHFFFAOYSA-N 403.464 0.349 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847878010 CVCHNRAWYRHCDM-ZCIKLCIJSA-N 408.499 0.880 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 24369302 HFJOLKVDSJIVTG-LBPRGKRZSA-N 416.450 0.671 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)c(OC)cc1OC 426990128 KYHQOBNSIXRASZ-UHFFFAOYSA-N 400.229 0.823 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 430410487 QUWPOQHVJIVSMP-BYDNXPSSSA-N 404.555 0.853 30 20 HCED C[C@](O)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 430877618 ZRYFIACLOFYRPR-LJQANCHMSA-N 407.492 0.569 30 20 HCED CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 435121578 XUMXEWPTRDDTBU-UHFFFAOYSA-N 404.430 0.759 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)s1 435442170 JTJAQLUHONAQMK-ZDUSSCGKSA-N 405.523 0.435 30 20 HCED C=CCOC[C@H](NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)OC 435950673 SDHIUTZITOYFOZ-XHSDSOJGSA-N 410.467 0.829 30 20 HCED N#CCCCCS(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439096242 GXPIYGXYEHTLCW-UHFFFAOYSA-N 406.452 0.461 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)c1 439387040 NILZRKVEVATKLA-UHFFFAOYSA-N 416.406 0.625 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)C1=O 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N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CCO1 557287430 WDVHYDXBKRSIAY-ZDUSSCGKSA-N 406.826 0.502 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 562900382 RCUNHOFAVDNGHA-QGZVFWFLSA-N 406.508 0.835 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)cc1 563323236 PROLATBOZYOBLQ-CYBMUJFWSA-N 404.452 0.722 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1S(N)(=O)=O 565628842 BPAKIWVZVTVMOT-UHFFFAOYSA-N 406.395 0.608 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 566647826 PECVTOHTEZEOCX-CQSZACIVSA-N 410.486 0.755 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 570995900 RJRPESIUAWIURU-FQEVSTJZSA-N 416.551 0.993 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)C1=O 573329011 CIDGYAYJBXGENB-SJORKVTESA-N 416.453 0.288 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)ccn1 578823284 PDILUEUWFYCAHI-UHFFFAOYSA-N 409.402 0.347 30 20 HCED C=CCNC(=O)c1ccc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nc1 582816167 FAQZCSYOWBSNRL-UHFFFAOYSA-N 404.496 0.996 30 20 HCED CC(C)N=c1[nH]c(=NCCO)[nH]c(=N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[nH]1 584427815 PJNWWVWMQGDGAH-HNNXBMFYSA-N 414.489 0.453 30 20 HCED CN1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3cccc(C#N)c3)cn2)CC1 585699150 LJDGKLCWAAAMCF-UHFFFAOYSA-N 406.490 0.980 30 20 HCED CN1CCC(N2CC[C@@H](N(C)C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 589452934 PCPRCOLLOMSRMM-GOSISDBHSA-N 419.551 0.463 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCN(CC#N)CC1 609329426 LKOMLTJMHSJQCN-UHFFFAOYSA-N 422.507 0.434 30 20 HCED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1CCN(CC#N)CC1 609332790 VVUGCWSNBBWRNJ-AWEZNQCLSA-N 422.507 0.619 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc2c(c1)OCO2 609765130 JZYZFLXTXPWMIS-UHFFFAOYSA-N 405.435 0.877 30 20 HCED COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 609992602 XTRXMKRSEOAVKO-UHFFFAOYSA-N 409.464 0.621 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1C#N 611365275 YUVQEKJPSPTNCG-UHFFFAOYSA-N 401.467 0.516 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cn2)cc1 615403359 LVFCQSGFPZUJLX-QGZVFWFLSA-N 423.429 0.784 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 728533321 GHMLZPGBNURLAA-UHFFFAOYSA-N 414.487 0.389 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c1 729974514 JALNRBWWVSBRRH-UHFFFAOYSA-N 401.492 0.290 30 20 HCED Cn1c(S)nnc1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 730090616 VQBRWUDYRDCHHD-UHFFFAOYSA-N 420.520 0.549 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)cc1 732779668 YBYUDEANLOFXTJ-KRWDZBQOSA-N 404.536 0.496 30 20 HCED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909470 AWKXXXDETNXFOW-IUODEOHRSA-N 407.423 0.144 30 20 HCED C[C@@H]([C@@H](C)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 733275241 IPABRYIBPAGPDI-OLZOCXBDSA-N 415.537 0.785 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c1 733801185 MCDMKRFBFRFVMD-MRXNPFEDSA-N 410.496 0.829 30 20 HCED COC(=O)CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 742968445 FKNWDJMCUQELMZ-UHFFFAOYSA-N 409.464 0.296 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745435144 ZSTSXYPGXGZWRG-UHFFFAOYSA-N 409.464 0.467 30 20 HCED C[C@H](CO)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749743502 MQDBJLSHYVRZMP-ZXKZCITISA-N 410.496 0.571 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cn1C 750622326 XTQBBDVFSFQFDT-NSHDSACASA-N 405.436 0.449 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(C2CCCCC2)C1=O 756874411 BVRIRYNOJBNEBB-CQSZACIVSA-N 411.466 0.940 30 20 HCED CCCCn1c(N)c(N(CCOC)Cn2ccc(C)c(C#N)c2=O)c(O)nc1=O 758203815 MIIBMERVMYHUOH-UHFFFAOYSA-N 402.455 0.784 30 20 HCED CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761020082 RLAOBBITJPHWRF-UHFFFAOYSA-N 400.432 0.501 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 761035693 CAAFFIWARDKSGC-QGZVFWFLSA-N 410.927 0.921 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)CON=C2C(=O)Nc3cc4c(cc32)OCCO4)C1 762667744 ABVBTVXLEYPUCZ-LBPRGKRZSA-N 402.407 0.258 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccn(C)c2)c1=O 763465536 JETASECBBQWEBW-UHFFFAOYSA-N 404.499 0.751 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCNC(=O)c1ccncc1 766280530 UDVIPIUGRKNQNN-CYBMUJFWSA-N 402.432 0.593 30 20 HCED C#CCNC(=O)c1ccc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)nc1 771190048 RQHQEKJROYATBP-MRXNPFEDSA-N 404.426 0.946 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc[nH]n1 772381128 DRSKTAGHIGBZBL-CQSZACIVSA-N 405.455 0.601 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCc2nc(C)no2)cc1 783350853 QZHYMXAOTVSHQT-UHFFFAOYSA-N 408.436 0.613 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 783541735 JRUJLLUXCFEVGD-UHFFFAOYSA-N 404.510 0.713 30 20 HCED N#CCN(C(=O)COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 785657621 AGXBNGYSJPWWAN-QGZVFWFLSA-N 414.462 0.267 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)[nH]1 786072159 UXTPTDFEVDRAPY-UHFFFAOYSA-N 420.422 0.715 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 787754068 BAODHQJOSGQFNK-LJQANCHMSA-N 422.489 0.671 30 20 HCED C#CCn1cc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)cn1 791264681 PWRYPDAMVCHNMG-UHFFFAOYSA-N 403.283 0.918 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1F 792241264 HBBBMKHKGVMEHJ-OAHLLOKOSA-N 401.485 0.332 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 799284972 SIPCMSXCIMNRJG-GFCCVEGCSA-N 401.872 0.419 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C(=O)NCC[C@H]1C 799764966 MPQVFZSPLNBSSS-INWMFGNUSA-N 406.508 0.925 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2Br)CC1 804986758 PHRLITNXQNKVML-UHFFFAOYSA-N 414.325 0.646 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)nc1 806088097 MFWBOBCMZISYHK-IRXDYDNUSA-N 400.483 0.241 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnnn2C)cn1 807936644 OXWSYZOZKWXENN-CQSZACIVSA-N 402.484 0.832 30 20 HCED C#CC[C@]1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 809799784 CQOMIFPAWMMVTP-WOJBJXKFSA-N 404.467 0.980 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 814180332 GYEWPGSVTNLJOA-BBWFWOEESA-N 424.542 0.751 30 20 HCED COC(=O)c1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)on1 814851658 XEFPLSXOVPJPNX-UHFFFAOYSA-N 408.440 0.238 30 20 HCED Cn1nc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)cc1OC(F)F 816126425 GGHQOLFRVILBOB-UHFFFAOYSA-N 401.307 0.920 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 915215783 JZEUQXLUYWJCTF-MRXNPFEDSA-N 420.473 0.892 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccnc3-n3cccn3)CC2)o1 915385624 GQDDNAVRYQMMIE-UHFFFAOYSA-N 421.417 0.941 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 916178756 VTFOSLNYZXDEGT-UHFFFAOYSA-N 424.438 0.435 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 918311489 XOUWPNMZUAZYTE-UHFFFAOYSA-N 416.459 0.744 30 20 HCED CCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 920205137 RPPLDMQPYUTYSF-CAPFRKAQSA-N 410.496 0.933 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C1 961660802 ORXXKNGQAQPDNC-ONDWCAEFSA-N 404.507 0.936 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCNC(=O)C1 1004922913 KHNZSVZZLXGTIF-SUFIHLRJSA-N 404.511 0.038 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nc(O)nc(O)c1OC 1006384322 MAQQXGAXSBGGMF-KVSVUVNWSA-N 404.423 0.349 30 20 HCED N#Cc1cc(S(=O)(=O)NCCC(=O)N2CCOCC2)ccc1Br 1197278100 YGHYKDUUDNCJHX-UHFFFAOYSA-N 402.270 0.848 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1251341388 CKOQMLODUMPPJE-RHSMWYFYSA-N 412.446 0.534 30 20 HCED Cc1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)s1 1290699104 OCLSRTYPOAVRFT-UHFFFAOYSA-N 410.463 0.873 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 1346065261 QPPVPXBONKSZCK-QGZVFWFLSA-N 402.451 0.412 30 20 HCED N#Cc1cn(CC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)c(=O)nc1O 1464268316 YPXUDETXMQWHBV-UHFFFAOYSA-N 413.409 0.515 30 20 HCED CCN1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1502311173 NZSAIKGQHKSREC-KRWDZBQOSA-N 422.537 0.779 30 20 HCED CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CCOC)C1 1515844775 KZHUTBJLGVIBHM-IRXDYDNUSA-N 424.571 0.888 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cn[nH]c1 1541934835 FWEXMHQDMZGZLR-SUMWQHHRSA-N 406.516 0.984 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CC2)c1C#N 1556216936 JYUOVMLAYIYBCQ-AWEZNQCLSA-N 406.487 0.525 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1597694185 QILFNMYRPNGQRA-SJCJKPOMSA-N 412.491 0.884 30 20 HCED CC(C)(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1597694433 ZAUYOGRKRIQGKY-UHFFFAOYSA-N 416.507 0.966 30 20 HCED N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1665037077 UTTJEGVOHVCICW-UHFFFAOYSA-N 424.479 0.856 30 20 HCED CCCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1745799462 WJRTYXATYYXECH-GOSISDBHSA-N 408.510 0.967 30 20 HCED 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HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1779241118 UGUCILNOEYQIBG-DYESRHJHSA-N 409.527 0.459 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4nc5ncccn5n4)CCO3)C2)c1 1780333966 COYTZFMEWSUFKP-LJQANCHMSA-N 406.406 0.081 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccncc4=O)CCO3)C2)cc1 1780700711 VEKYGBGIFUSAPM-OAQYLSRUSA-N 407.430 0.259 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1783166485 HFTDEEOFTNBKNS-QRFQSNJMSA-N 410.474 0.893 30 20 HCED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(C#N)cc3)[C@H]2C1 1783603319 QUKBXMNCYRZXQG-BZSNNMDCSA-N 419.503 0.125 30 20 HCED COCCOCCOCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783665902 BAUFTVOOMPGJRX-NRFANRHFSA-N 423.510 0.580 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCOC3=O)[C@H]2C1 1784278352 YHRUSTMVSDELQA-ULQDDVLXSA-N 409.483 0.401 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3CCC4)C[C@@H]21 1784482379 MEJKZVPELMQUDB-YEWFCNIMSA-N 400.479 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20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839989266 KXTXLKFFZHHSGF-HXUWFJFHSA-N 409.483 0.381 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840494624 KQUDNHUCBVTPHG-IERDGZPVSA-N 419.478 0.377 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840565831 GMISBCUZGZIZLU-HXUWFJFHSA-N 403.483 0.297 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1840842892 HWEFEBFOJRRLSN-UWJYYQICSA-N 401.463 0.279 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1cncn1)C2 1841746409 JIIYXGWLBQPRDZ-HNNXBMFYSA-N 418.498 0.951 30 20 HCED COc1ccc(CCC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc1OC 1841783793 MTDAVTVLADYFQO-UHFFFAOYSA-N 400.431 0.928 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccn(CCOC)n2)C1 1843513897 WTPGHYLDGJQHPL-WAYWQWQTSA-N 401.467 0.205 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CCN2C(=O)C=CC2=O)C3)c1 1844725441 QYSKGCQTFWTKOH-UHFFFAOYSA-N 422.441 0.699 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)[C@H]4CCNC(=O)C4)C3)c2c1 1846424361 FQHZVEARASOUSN-AWEZNQCLSA-N 406.446 0.778 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)[C@@H]1CCCS1(=O)=O)C2 1846980687 SJWNNDJXWVDEHX-KRWDZBQOSA-N 417.487 0.718 30 20 HCED CC1CCN(Cc2csc(/N=C(\O)CN3CCN(S(N)(=O)=O)CC3)n2)CC1 52488081 XOXABHFBVXCEQM-UHFFFAOYSA-N 416.573 0.784 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n(C)c1=O 105390497 VWVFZYNCVOXFNG-UHFFFAOYSA-N 404.390 0.130 30 20 HCED N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 436697695 KHSBWYHEMCKTEG-UHFFFAOYSA-N 402.432 0.240 30 20 HCED C[C@@H](CC#N)N(C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 439324644 IWIJFAKWTLOITJ-YOEHRIQHSA-N 400.435 0.400 30 20 HCED Cc1cc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1C#N 443946824 MSKOMSADNWFKLV-UHFFFAOYSA-N 412.471 0.917 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC2(CCN(C)C2=O)CC1 447419910 YVHAFNIWTCSJKQ-UHFFFAOYSA-N 414.462 0.993 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)Cc1ccc(O)cc1 461788332 KKGYOYGSBSBRLC-INIZCTEOSA-N 420.429 0.811 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 464734827 PETZOVBRIOGISB-UHFFFAOYSA-N 403.464 0.310 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCCN1CCCCCC1=O 464862159 HLQCCHIFIOPFCK-QGZVFWFLSA-N 413.526 0.768 30 20 HCED COc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N[C@H]1CCOC1 466352458 LDJFKGNJSLKVFD-AAEUAGOBSA-N 420.451 0.425 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 472861929 KFBRBWJUAFEPJL-ZDUSSCGKSA-N 414.470 0.291 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)c1 474211161 AMUYOVYOZQMKSI-SJORKVTESA-N 421.461 0.603 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCN1CCC[C@H]1CO 476418794 LIIRIJJONHODIG-RDJZCZTQSA-N 408.524 0.578 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccsc1 479386257 UEWDPFFAQRVSIA-UHFFFAOYSA-N 412.496 0.621 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)n2)c(F)c1 481289296 HTNNIZBOVGWLOY-UHFFFAOYSA-N 424.400 0.246 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482180426 RPFNKTTUZGBWNC-HOTGVXAUSA-N 407.540 0.367 30 20 HCED COCCC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 489065141 CSTILNJRYGKRJZ-AWEZNQCLSA-N 422.507 0.369 30 20 HCED CCC[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCN1CCOC 501788460 GWPTURZCPBZZNZ-SFHVURJKSA-N 418.542 0.936 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1 506231887 KOMBWHCZYJZYFV-UHFFFAOYSA-N 412.899 0.377 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508478359 QZNDTZIFLAALEG-CQSZACIVSA-N 419.511 0.877 30 20 HCED C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508707414 VPOVDOUNQPHFJB-QGZVFWFLSA-N 422.530 0.169 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 509002107 PZYJCNJZCNTWEY-UHFFFAOYSA-N 424.509 0.856 30 20 HCED CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)NCCn1cnc(C#N)n1 511393392 COOMSZOIKFOLAI-UHFFFAOYSA-N 403.873 0.326 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(C)n2)c1=O 514919851 ZMMVARKIVKCVSS-UHFFFAOYSA-N 402.501 0.223 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CC2)CCN1Cc1ccccc1 514971866 IEKZEMYBYCAYHU-LJQANCHMSA-N 411.506 0.204 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 516499662 GMZFVJXJSVKSSR-UHFFFAOYSA-N 401.423 0.124 30 20 HCED C=CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 517308876 GFNOVLPCSIRZBK-UHFFFAOYSA-N 409.556 0.896 30 20 HCED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)nn1 518407931 HPFJMNVYJYIOLX-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 520091331 BDJBKQSLCKRNNJ-UHFFFAOYSA-N 416.459 0.990 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)C1=O 521661641 HPRLPCROWMMSRR-GFCCVEGCSA-N 400.439 0.816 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2)c1=O 522283867 QPHWRODPWHQICN-UHFFFAOYSA-N 419.478 0.351 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)n(CCC#N)n1 533454353 GBGWIGZGUUBKDE-UHFFFAOYSA-N 410.434 0.734 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C(N)=O)n3)CC2)cc1 534154108 GXMDMOFLLHURGY-UHFFFAOYSA-N 414.447 0.591 30 20 HCED N#Cc1cc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cnc1C(F)(F)F 549139501 YBLPXFHZNHGTDV-UHFFFAOYSA-N 411.384 0.589 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 554153700 FVVDEECOUOJIKK-ZFWWWQNUSA-N 424.498 0.674 30 20 HCED N#Cc1cc(NC(=O)NCCOCCS(N)(=O)=O)ccc1OCC(F)(F)F 558279340 YYYFZYZECABQHP-UHFFFAOYSA-N 410.374 0.926 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 565683185 JUIAFWHIUPUZDS-ZWKOTPCHSA-N 402.495 0.845 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C#N)c1C 569890829 SBZCYPMIYDKVNW-LBPRGKRZSA-N 406.468 0.825 30 20 HCED C[C@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 571813449 KFEWTIRHRNLDOI-XETJZTBLSA-N 419.463 0.338 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4cccnn4)CC3)CC2)nc1 587665295 MYOKMCMQTCMWQJ-UHFFFAOYSA-N 420.477 0.177 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CC[C@H](CC(N)=O)C2)cc1N1CC[C@H](CC(N)=O)C1 588853842 BRVLPQIAJDOQCW-CHWSQXEVSA-N 400.439 0.870 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)n1 589406309 CPCDGZHQSZYXIN-AWEZNQCLSA-N 402.418 0.868 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 589416167 NQUVBCLIXTTYHK-HNNXBMFYSA-N 422.493 0.362 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 603593934 XPSVNPSELKPBPK-ZWKOTPCHSA-N 419.503 0.569 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 608230178 IQGVVVGXNMNYAV-GUYCJALGSA-N 417.491 0.808 30 20 HCED N#Cc1cc(N2CCC[C@H](C(N)=O)C2)cc(N2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] 609849808 WNEXQHRQINZRDV-STQMWFEESA-N 400.439 0.870 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609990165 GHQLOSGVSIMQDD-KRWDZBQOSA-N 423.495 0.908 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@](C)(C#N)C2)CC1 612163593 SGOGEARFWGTXGX-SFHVURJKSA-N 409.512 0.750 30 20 HCED C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 728573379 OOEOWMQJKMYCMQ-UHFFFAOYSA-N 403.439 0.299 30 20 HCED C#CCN1CCC[C@H]1C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 730277951 HOSAECUJMHYZLI-HKUYNNGSSA-N 405.520 0.858 30 20 HCED CCOCCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 732121456 KJMRBFUHCNSHML-UHFFFAOYSA-N 408.524 0.686 30 20 HCED Cc1cccc(C)c1OC[C@H](O)CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465626 IVDAHQBXUJTJSW-KIJUOZEOSA-N 402.451 0.869 30 20 HCED NC(=O)CN(Cc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 732770143 WNASFJFNIALGJH-UHFFFAOYSA-N 400.460 0.629 30 20 HCED N#C[C@@H](C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCS(=O)(=O)CC1 732909472 AWKXXXDETNXFOW-WFASDCNBSA-N 407.423 0.144 30 20 HCED C#CCNC(=O)C1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 747820007 GVVXFUBSXPLVAZ-UHFFFAOYSA-N 403.483 0.124 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)CCC)c1 749634722 XPVIXAWXMBLGOO-INIZCTEOSA-N 409.533 0.982 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](CO)C2)c1 749693677 PLEHZARNLLRPLS-MMOSJZJFSA-N 408.480 0.279 30 20 HCED CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)N1CCOCC1 750963427 UJLJTELZPHNSQS-NRFANRHFSA-N 413.478 0.552 30 20 HCED C[C@](C#N)(NC(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O)C1CC1 750967297 LJBXMPYRYLJJGP-RTBURBONSA-N 408.422 0.238 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CS[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 754706290 FVQRAZKRUJSAIL-HZPDHXFCSA-N 407.517 0.696 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2C2CC2)c1=O 758052218 PSBKNXNUQPFURH-UHFFFAOYSA-N 407.495 0.686 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2cccc(-n3cnnn3)c2)[C@H](C#N)C1 758638638 CASJGMMAIMUHQC-IUODEOHRSA-N 419.467 0.700 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758768145 HVBLGDRLQHFQEW-GXTWGEPZSA-N 414.470 0.741 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 761070564 CBLHVGRZCYIBAG-UHFFFAOYSA-N 421.475 0.381 30 20 HCED Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)cn1 761099282 VIAVMPSURAHHAS-UHFFFAOYSA-N 400.414 0.744 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(N)=O)c2cccc(Br)c2)C1=O 763674361 HXVJVYICRXUXPC-GFCCVEGCSA-N 424.207 0.496 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCCn1cccn1 767682753 XHIKDWLGPGMQQP-AWEZNQCLSA-N 419.463 0.171 30 20 HCED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)ccc21 771080782 NMVRVHUFBFREGJ-UHFFFAOYSA-N 418.475 0.465 30 20 HCED C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)[C@H]1CCCO1 775325318 BTANZSCBFBHOEC-QZTJIDSGSA-N 421.519 0.744 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCCC1 779321737 REXPZMUTDBAEGJ-QHSBEEBCSA-N 409.464 0.069 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 782109604 CRYXAZUARFTWJL-UHFFFAOYSA-N 402.520 0.772 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NC(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 783479701 NALFSAMHYZFVPN-INIZCTEOSA-N 419.503 0.721 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)OCC(=O)NC1(C#N)CCC1 784250003 DCHADJQWBJWMQY-AWEZNQCLSA-N 422.482 0.998 30 20 HCED C[C@H](OC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)NC1(C#N)CCC1 787613174 SVSAWUHLDQOKHK-HNNXBMFYSA-N 410.430 0.552 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3nnn(C)n3)nnc12 799453514 MESHTLHFVYVKIG-UHFFFAOYSA-N 412.435 0.589 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C1=O 804311702 QZQAKHLZODOYDV-HNNXBMFYSA-N 408.499 0.747 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)NN2CC(=O)NC2=O)n(-c2ccc(C#N)cc2)n1 807063318 RIUKQPQXWSLWLV-UHFFFAOYSA-N 409.406 0.563 30 20 HCED COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 808029033 PDVKUHHSBSKUJN-UKRRQHHQSA-N 402.455 0.464 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 808329089 YNTARMCXKLWRRR-CVEARBPZSA-N 415.560 0.950 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 810773150 UCSSWSNZQVDKFX-OKILXGFUSA-N 414.505 0.567 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812378615 KBTXYADFRRRBJA-CABCVRRESA-N 409.512 0.080 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCO2)CC1 812431390 HCDAQLQNNJHXTG-QGZVFWFLSA-N 416.526 0.951 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N(C)OC)CC1 813028866 UVYDXCQGCGQZNM-UHFFFAOYSA-N 418.450 0.780 30 20 HCED COCCCNC(=S)NN=Cc1c(N2CCOCC2)nc2ccccn2c1=O 874064216 PINADKWKXMEDBK-UHFFFAOYSA-N 404.496 0.366 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914654544 VOHAOJBSJIJBCK-HNSFDTNUSA-N 413.496 0.008 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)c3cccs3)CC2)o1 914684004 RYNSXQIBWWKSMN-UHFFFAOYSA-N 417.447 0.538 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 916870056 DSOFVZHSAVXJQI-MRXNPFEDSA-N 408.480 0.344 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 916891323 SMGHQSJJGONCIH-UONOGXRCSA-N 413.521 0.929 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)cc1 920463953 XKFVSNOTABAFSZ-MRXNPFEDSA-N 406.435 0.907 30 20 HCED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1 1110573676 ZTMIXHCNQZBRMF-TYZHSBRISA-N 404.555 0.757 30 20 HCED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1CC1 1253571026 USIFKJHZOQDQOT-UHFFFAOYSA-N 400.504 0.736 30 20 HCED Cc1nccnc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1304713233 MIKJLDMWDRWDGL-HUUCEWRRSA-N 417.495 0.250 30 20 HCED Cc1c(C#N)c(=O)n(CCOc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)n1C1CC1 1307383719 ITECWMHQLJZIKX-UHFFFAOYSA-N 418.475 0.854 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1315070230 ZVUXNKBEGNQQTP-ZDUSSCGKSA-N 406.468 0.232 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N([C@@H]2CCS(=O)(=O)C2)C1=O 1318565138 UQOCICZSGYJQOY-NEPJUHHUSA-N 412.493 0.345 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCN(CC#N)C3)CC2)cn1C 1319352959 PFLVHHIPUHSHIF-INIZCTEOSA-N 422.555 0.481 30 20 HCED 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HFRKKCOKROLOTK-OAQYLSRUSA-N 420.510 0.781 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1831412724 BORJSDYDTYSTGC-FXAWDEMLSA-N 421.498 0.278 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N(C)C)o3)C2)C1 1831421703 PKSHIAUWKNIQJK-MGPUTAFESA-N 422.482 0.402 30 20 HCED Cc1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cnn1C 1831485490 DXQUIYKVJNSHIE-LPHOPBHVSA-N 410.540 0.753 30 20 HCED Cc1cc(CC(=O)N2CCC([C@H]3CCCCN3C(=O)C#CC(=O)O)CC2)nn1C 1831665420 DIKQAYABPXTDLC-GOSISDBHSA-N 400.479 0.979 30 20 HCED NC(=O)c1ncccc1C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833427461 DYXFVRQQQQLISD-UHFFFAOYSA-N 423.517 0.779 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c(C3CC3)c1F)CCO2 1833678962 NUELHRZBSKFILK-IBGZPJMESA-N 405.430 0.800 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834007487 KFXPUTCDVJYMOH-NRFANRHFSA-N 417.462 0.661 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3)CCO2)C1 1834028533 SOJUUHZIWBSBQB-JXFKEZNVSA-N 404.467 0.120 30 20 HCED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1834418155 HSWUMUZVFIFJOG-UZLBHIALSA-N 421.498 0.774 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](N)c4ccccn4)CC3)CC2)CC1 1834599491 CWPKHOQEQRUJAE-IBGZPJMESA-N 410.522 0.957 30 20 HCED C/C(=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)C(=O)O 1835103669 ATRMKAOPIGLQEV-GBKYUFMXSA-N 412.442 0.525 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)no1 1835673077 VUIMTRRQFRFJFF-FQEVSTJZSA-N 419.482 0.335 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836060354 DHDCABFBVHMRQB-OAHLLOKOSA-N 417.510 0.959 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836172156 IYLUYDNXPAHUQQ-VQIMIIECSA-N 407.471 0.140 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5ncccn5n4)CCO3)C2)CC1 1836868952 WPYGCOFXAAIJNV-HXUWFJFHSA-N 410.434 0.103 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837316110 WPPXAVBHQKLMPR-MRXNPFEDSA-N 421.372 0.098 30 20 HCED Cc1ocnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838204623 VTFFYWDTWQIGDA-SWHKHVPSSA-N 416.434 0.765 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838683886 DFAPKXPDJSCVKN-KXBFYZLASA-N 407.471 0.589 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839302765 KYVNPTZABCGFQU-QVKFZJNVSA-N 420.437 0.640 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)cc1 1839362164 AKPHEWKAXQGICG-JOCHJYFZSA-N 423.473 0.719 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839446100 CFCMHKBWLCRLCL-YCRPNKLZSA-N 418.446 0.206 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839554299 AHBXQUDODFVYEV-HXUWFJFHSA-N 415.425 0.847 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)CCC(C)C)CCO2 1839847069 ROMFKTXNFHBSCE-LHFJYWTJSA-N 407.511 0.737 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839888456 OEUUZKIPGCGGPP-SFHVURJKSA-N 410.421 0.687 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840129710 BQFMOKMWEZDOPO-XWMMLSLGSA-N 422.526 0.530 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/OCC)CCO2)C1 1840310857 QBJLDAVCZILXTL-AQDCRGGLSA-N 410.467 0.502 30 20 HCED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840523376 XZIQFIBDFKVHJW-BCVDLATCSA-N 407.467 0.582 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(O)c([N+](=O)[O-])c2)C1 1845309644 JJRGGKGZGJNOAJ-SREVYHEPSA-N 414.418 0.976 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](COC(C)=O)OC(C)=O 1847806956 GZOMYKKPEVJGSZ-BZSNNMDCSA-N 410.467 0.666 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 435746975 CNHUWARHXVQOQI-UHFFFAOYSA-N 400.435 0.723 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)C1=O 440746588 JSLLJNPEFJLEFZ-UHFFFAOYSA-N 414.418 0.511 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)[C@@H]2C(=O)OC)c1 441875808 RIDFEEXWZRAEDD-JKSUJKDBSA-N 424.475 0.718 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 442014478 UFLAZSXTHPJNST-OLZOCXBDSA-N 415.475 0.189 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@](C)(O)CN1CCOCC1 442051151 OBDJZJSCBMBCEE-HXUWFJFHSA-N 404.467 0.483 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)n2)c(F)c1 442102868 YXOBBXALEKDETQ-CYBMUJFWSA-N 403.439 1.148 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)on2)c1 447438312 GKJQLKNBAMYYTO-SJORKVTESA-N 416.459 0.441 30 20 HCED COCCN(CC(=O)NCC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 448123920 GJFJKUSIPAISSG-UHFFFAOYSA-N 410.496 0.226 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccn2ccnc2c1 460714349 CFPBMUWZGNLBCW-UHFFFAOYSA-N 400.402 1.350 30 20 HCED COC[C@@](C)(C#N)NC(=O)c1cc(C(=O)N[C@](C)(C#N)COC)cc([N+](=O)[O-])c1 461027607 XAXGZNSNGODIBW-QZTJIDSGSA-N 403.395 0.912 30 20 HCED COC(=O)C1(CS(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 462068028 QQVPLFKMOIMVFK-INIZCTEOSA-N 405.476 0.922 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462096111 BMQZQCKOVCEIEY-HNNXBMFYSA-N 411.466 1.549 30 20 HCED C[C@H]1CN(c2cc(N3C[C@@H](C)O[C@@H](CO)C3)cc(C#N)c2[N+](=O)[O-])C[C@H](CO)O1 468728842 KLNBCSCDFNJTKC-DLTLXFJOSA-N 406.439 0.638 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 474835998 HTXOSPLAVYZTAP-INIZCTEOSA-N 419.507 0.585 30 20 HCED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)nn1 476974286 ZBENUQPJZBQKAO-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2C(C)C)c1=O 478757849 SVGRNRVRKZMLKU-UHFFFAOYSA-N 417.535 0.753 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 480448840 OOJPLFIUUMGVNP-HNNXBMFYSA-N 424.486 0.841 30 20 HCED COCC(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486245469 XOGCVKKHRNVJBQ-GOSISDBHSA-N 413.478 0.596 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 487171315 KLZSXBULUAMTGH-MSOLQXFVSA-N 421.461 0.497 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 497853891 SFJQBWYUWILBOS-OALUTQOASA-N 410.522 0.935 30 20 HCED COC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 499111215 MVTGJLIKIMGJAN-KRWDZBQOSA-N 420.535 0.750 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 499466718 IVMFBEGRDGRANP-INIZCTEOSA-N 417.441 0.693 30 20 HCED Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)c1 502042693 BNKGMYDWCYOYQF-UHFFFAOYSA-N 407.499 0.969 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)nn1CCC#N 505015733 XXZMSXIHQPHZBL-CQSZACIVSA-N 422.453 0.219 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 505388968 OAEXERKVFDMLQA-UHFFFAOYSA-N 420.535 0.486 30 20 HCED C=CCN1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 508495164 YCLWSLQSQKYZIZ-QGZVFWFLSA-N 400.545 0.473 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 509411276 SCCRZKJUVBDULS-GFCCVEGCSA-N 422.479 0.750 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCC)c2)c1=O 515699027 AKAONQPTJRMBCZ-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 517520663 RJRVYTIPFZIJSA-HNNXBMFYSA-N 404.496 0.468 30 20 HCED CCc1nn(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c(=O)c(C#N)c1CC 517658367 HRYMXUDBKIXYGN-UHFFFAOYSA-N 416.526 0.299 30 20 HCED CN(C)CCN(CCN(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 521242432 QNDLZBVVDBFNOO-LJQANCHMSA-N 400.527 0.794 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 524033302 OLVXJIOGZIKOQM-INIZCTEOSA-N 415.494 0.245 30 20 HCED N#CCC[C@@H](C#N)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377175 NDCVBJSDICZTLL-AWEZNQCLSA-N 403.464 0.767 30 20 HCED C=CCN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533387886 BPMRJTDOZBDKQD-DLBZAZTESA-N 418.581 0.620 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 539223517 GGZXBASAWBZZFI-YCPHGPKFSA-N 401.471 0.204 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 540961960 LUHFMXXZQKTTLO-CVEARBPZSA-N 405.480 0.387 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(Cc4ncc[nH]4)CC3)n2)c(F)c1 543002177 VXOYCTMDRNDEMO-UHFFFAOYSA-N 422.424 0.889 30 20 HCED C[C@]1(CO)CCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 546102972 WSSHWIDNVGLADM-LJQANCHMSA-N 406.508 0.238 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 552539052 WFVFLRUKJZROCY-SFHVURJKSA-N 413.522 0.287 30 20 HCED C=CCN(CCc1ccco1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 553181030 RCJUHEYWHMJVMB-NVQRDWNXSA-N 401.423 0.266 30 20 HCED CN(C[C@@H]1CCCC[C@@H]1O)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561707921 UMQBSQPJXDIGQX-OTWHNJEPSA-N 412.490 0.785 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nnc(C3CC3)n2C2CC2)cc1 565983491 KHLHOFIYEIBKKF-UHFFFAOYSA-N 400.464 0.957 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cc(F)cc(F)c3)CC2)c1C#N 566318693 REJFZPBMDSZBIY-UHFFFAOYSA-N 416.432 0.886 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 569914047 FJZIYJIDKVIIFJ-UHFFFAOYSA-N 414.535 0.892 30 20 HCED Cc1c(I)cn(CC(=O)N[C@@H](C)C(=O)N(C)C)c(=O)c1C#N 584869144 YXQBGBVDHLTWJB-VIFPVBQESA-N 416.219 0.226 30 20 HCED CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 588766961 QXQFJGDHLFWRJL-LJQANCHMSA-N 404.474 0.905 30 20 HCED N#CC1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 590487287 QELREEIETFKKTR-GFCCVEGCSA-N 418.397 0.600 30 20 HCED COCCN(CCC#N)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 610392346 YQMGOWSIGZCIIZ-UHFFFAOYSA-N 424.523 0.186 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(N(C)C)CC2)cc1 617665176 OMINZFZSFHNFAE-UHFFFAOYSA-N 408.524 0.984 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 619645988 TUINUULGPPYWNL-KRWDZBQOSA-N 402.451 0.932 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 725763689 SLRNLJUJLYUWRG-UHFFFAOYSA-N 403.485 0.376 30 20 HCED C#CCN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 733161281 OXQZMDDDHSOGBY-QGZVFWFLSA-N 421.519 0.006 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733184932 UYYKCTYLSPHERI-ZDUSSCGKSA-N 415.537 0.787 30 20 HCED C#CCNC(=O)CN1CCN(CCCS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 734149143 ZDKMZDLWKAWAID-UHFFFAOYSA-N 420.535 0.176 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735151172 FIPRVXCHCYKSGR-UHFFFAOYSA-N 414.418 0.586 30 20 HCED Cc1cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 738860751 NQZNSHYRQGQRKC-LJQANCHMSA-N 401.423 0.152 30 20 HCED C[C@H](CC(=O)N1CCN(c2nccn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 743470154 XKIGHXZFHGKWJG-CQSZACIVSA-N 416.507 0.586 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 745146549 ROWVPYXGYRHMCW-MEDUHNTESA-N 417.509 0.618 30 20 HCED Cn1c(=O)c2cc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)n(C)c2n(C)c1=O 749506565 UYSILCLAZGEURQ-UHFFFAOYSA-N 418.417 0.339 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CCOC 753787966 FUVJNFFQYYPIAI-UHFFFAOYSA-N 403.508 0.192 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c(O)nc1=O 754778407 CYBDFFGMXFMEBO-UHFFFAOYSA-N 413.209 0.239 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC1CCC2(CC1)OCCO2 756909372 OFFUOXQLBJSLSH-HNNXBMFYSA-N 400.483 0.661 30 20 HCED C#CCN(C)S(=O)(=O)c1cnn(-c2ccc(C)c(S(=O)(=O)N(C)CC#C)c2)c1 757723113 RBMDXOZSCQPCCG-UHFFFAOYSA-N 420.516 0.688 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 758096921 QFBUVEMOKSSZAD-UHFFFAOYSA-N 417.472 0.409 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 759677532 VVERPWPPWDVTKX-IBGZPJMESA-N 415.471 0.962 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)c2cccc(Br)c2)CC1 761032492 IRLYLCSTBACQNO-HNNXBMFYSA-N 402.314 0.568 30 20 HCED Nc1nc(Cl)c(C=NNc2ccc(-n3ccnc3)nn2)c(N2CCOCC2)n1 761855603 RUKMFDIQCNLGPD-UHFFFAOYSA-N 400.834 0.971 30 20 HCED C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 763790356 IJVNQFOZMPMNMZ-UHFFFAOYSA-N 403.504 0.924 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnc(C#N)n1 775920819 RKOWVZWXPUHYQC-AWEZNQCLSA-N 419.486 0.562 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 780058165 DKZYPNQWMJACQX-TZUPDSNESA-N 422.441 0.839 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1)[C@@H]1CCS(=O)(=O)C1 783475903 QWIQGTBZLKPJPZ-MRXNPFEDSA-N 419.503 0.721 30 20 HCED C#CCOCCNc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-] 784239581 MYEVXRMDCZBWSN-UHFFFAOYSA-N 412.468 0.267 30 20 HCED CC(C)CN1C[C@@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCN2C1=O 787211864 STAVOGYWUCLZMZ-VUAZUDAXSA-N 404.471 0.300 30 20 HCED Cn1[nH]c(-c2ccccc2)nc1=NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 795726383 CSYXNLNCVBKBNF-UHFFFAOYSA-N 410.459 0.971 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1CCOC 799934212 QKIRUTPCBKTCDZ-UHFFFAOYSA-N 417.462 0.509 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 807098059 VMLAYLSQNUORGB-GJZGRUSLSA-N 403.501 0.666 30 20 HCED CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC#N)c1 807343982 BGOHEXBILNHBQX-CZUORRHYSA-N 408.480 0.752 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 810457000 DIVHNEGKLIIPKM-GOSISDBHSA-N 417.528 0.407 30 20 HCED CON(C)C(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 812713778 XUPYZUVJSJEWDO-ZDUSSCGKSA-N 408.480 0.483 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC)c(=O)n1CCOC 838178564 USLARHZVOVOHIA-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 890384974 YYMJRZNNBUHNJN-GFCCVEGCSA-N 411.436 0.111 30 20 HCED COc1nc(N)nc(N2CCCC2)c1C=NN=C1NS(=O)(=O)c2ccccc21 914600150 PRTPCHSDRBEIEO-UHFFFAOYSA-N 401.452 0.740 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(OC)cc2)c1 920808180 XPKJWUGOFKVJEE-UHFFFAOYSA-N 415.471 0.653 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 1116318426 IHTFCIIGWNCHHT-RHSMWYFYSA-N 422.489 0.796 30 20 HCED COC(=O)[C@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1183897545 YYNNULQMIYHSBJ-INIZCTEOSA-N 402.432 0.132 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(C(=O)NC)CC2)c(C#N)cn1CCOC 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0.851 30 20 HCED CO[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1504051327 IOEQGUWNNJJBRK-JQFCIGGWSA-N 413.475 0.428 30 20 HCED Cn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 1515682237 USHJBEYUTJSAHR-KBPBESRZSA-N 402.455 0.744 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 1516659139 QVYONHZVFRZTJI-IVMMDQJWSA-N 419.459 0.378 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1608406653 WMBNKBFWHUHBEL-FQEVSTJZSA-N 420.537 0.884 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)n1 1612477428 LGWBJZVJWDUCIH-OAHLLOKOSA-N 420.543 0.914 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1Br 1622318228 LWLHRIKILHZIBZ-LLVKDONJSA-N 404.261 0.899 30 20 HCED COCCn1cc(N2C[C@@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC2=O)cn1 1624912766 MYLOMRCWZMASBP-KRWDZBQOSA-N 423.477 0.498 30 20 HCED CCOC(=O)[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC12COC2 1644135956 RKWWSYREIZEBGV-XJKSGUPXSA-N 421.475 0.263 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCCC2=O)c(=O)n1C 1656779006 OHSNVKSNVGLGEJ-UHFFFAOYSA-N 409.446 0.166 30 20 HCED C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1690229456 WQDYLXYJTDMEGV-GFCCVEGCSA-N 420.333 0.772 30 20 HCED CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)CC 1694126367 FIABJTLDWRBQKG-GOEBONIOSA-N 409.560 0.907 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)CCO1 1731189995 OGUGYTRZBVSCQK-HOTGVXAUSA-N 409.450 0.987 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 1741875587 PSMLOYLGTMNCKL-JKSUJKDBSA-N 405.503 0.113 30 20 HCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1769161043 YUKGDWBJGZOTAG-RTWAWAEBSA-N 410.478 0.931 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4cncn4c3)C2)C1 1778691292 YJYVEYXIPIDXFN-QJKPHDSHSA-N 423.473 0.636 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)Cn3cncn3)CCO2)C1 1778970708 DWJSIGQHTONJOS-FTRWYGJKSA-N 405.499 0.317 30 20 HCED 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HCED CC(=O)N[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC#N)c1ccc(F)cc1 1795086238 YFFJOLRRBZXQCZ-QXGSTGNESA-N 402.426 0.506 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccn2c(O)nnc12 1796286086 QZQWHRISDZQEQI-AYDFFVQHSA-N 415.450 0.229 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nn1)C2 1799304031 IZIGGITXHZUIJA-ZSBFGKGUSA-N 418.450 0.198 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(=O)O)ncn1)C2 1799390468 UPDCJFNBJANDSR-NFFDBFGFSA-N 419.438 0.179 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cn2c(F)cccc2n1 1799997824 LJEPBYIUWGUEME-ZTENYAIWSA-N 414.437 0.715 30 20 HCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)n1cccn1 1801386108 DFFOCUATZXUMKX-CEPVOSKYSA-N 419.482 0.563 30 20 HCED C=C1CC(C(=O)NC[C@H]2CCN(C(=O)CN(C)C(=O)C(=O)O)[C@H]2c2cccnc2)C1 1802411732 GDAJLUGNUZEXGT-QAPCUYQASA-N 414.462 0.597 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@@H]1c1cccnc1 1803565003 NINPBLYZXIZZFT-VYCZESIESA-N 400.479 0.957 30 20 HCED C=CCSCC(=O)NC[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1804173380 PJWJRRGCZCZQTA-QAPCUYQASA-N 401.496 0.693 30 20 HCED Cn1nc2c(c1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1)CCC2 1812227059 NZBGWJPTUDRXJN-MGPUTAFESA-N 421.457 0.711 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]1c1cccnc1 1812392419 QHZFMUKCJIZBQC-QILLFSRXSA-N 416.478 0.843 30 20 HCED CC(=O)N1CCN(CC(=O)N[C@@H]2CCc3nc(NC(=O)CCC#N)sc3C2)CC1 1814496520 KCFRGAOUSZNQIU-CQSZACIVSA-N 418.523 0.523 30 20 HCED NC[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2)c1ccccc1 1815166644 PTGNIGZNWSWNAO-KGLIPLIRSA-N 412.471 0.886 30 20 HCED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@H]2NC(=O)NC2=O)n[nH]1 1815765294 INTIWTGCNQTCEH-CHWSQXEVSA-N 420.495 0.919 30 20 HCED C=C1CC(C(=O)N2CCCC[C@H]2c2cc(NC(=O)C[C@@H]3NC(=O)NC3=O)n[nH]2)C1 1815766054 TYSFWHFYTIJOAQ-KBPBESRZSA-N 400.439 0.966 30 20 HCED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)C3=NNC(=O)C3)sc2C1 1819662605 QPPAYZMVALDOAQ-LLVKDONJSA-N 405.480 0.914 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)Cn2cnnn2)[nH]n1 1820894534 NUCBVPVRKUJRQC-CQSZACIVSA-N 416.442 0.598 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CNC(=O)c2cccnc2)[nH]n1 1822197351 OUKFGWSAVPERGV-HNNXBMFYSA-N 424.417 0.315 30 20 HCED C[C@H](S)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]nnc3n2)[nH]n1 1822381079 NSDRERYTPHUGMG-KWQFWETISA-N 417.455 0.160 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)c4ccon4)C3)C2)cc1 1829901305 ZGOQQQOHIRSBDV-OAQYLSRUSA-N 410.430 0.859 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)nn1 1830059603 GQFZMIFUFKCBMB-IBGZPJMESA-N 403.439 0.105 30 20 HCED COc1ccc(OCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1 1830242391 HGMUIJAGSDELLF-MGPUTAFESA-N 424.519 0.849 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1831421175 GEFQGHRDWLCYQZ-QRWLVFNGSA-N 405.451 0.448 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831433501 UKFCZAOKTDGTBE-YWZLYKJASA-N 402.451 0.547 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831488020 VAKHFZNXVHVSKY-UYAOXDASSA-N 423.535 0.259 30 20 HCED C=CCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1831853927 JWHXXZAMDFNVJP-SFHVURJKSA-N 411.568 0.913 30 20 HCED C=CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C(=O)NCC(C)C)CC2)CC1 1833475784 MHRGOQYHZMQSSA-KRWDZBQOSA-N 422.570 0.921 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833518782 NVIBNWKZUFXGRA-HZPDHXFCSA-N 406.527 0.108 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnc3)CC2)CC1 1834263994 LOLILXMSISZPIG-QGZVFWFLSA-N 401.511 0.493 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834316255 LLWIQOHNNDOYLJ-JXFKEZNVSA-N 407.467 0.626 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(F)nc4)C3)C2)CC1 1835340821 HDLPABWOJGTOTQ-NRFANRHFSA-N 416.453 0.913 30 20 HCED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835344819 XCHMMHXQKVSAQL-HXUWFJFHSA-N 400.435 0.464 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cscn3)CCO2)C1 1836036960 DSHDJMIWQGDNED-DNVCBOLYSA-N 407.492 0.180 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1838038821 JJPDOSVQSGPHFJ-IIBYNOLFSA-N 418.494 0.091 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)no1)CCO2)C(F)(F)F 1838108900 UNVPYMLGWDOCSM-OAHLLOKOSA-N 405.329 0.569 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733245 VSOGXVSNTATPDK-JNAXZKDPSA-N 404.467 0.363 30 20 HCED CCc1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)co1 1838738026 LVRUCSVFBRZXGA-FQEVSTJZSA-N 413.434 0.821 30 20 HCED COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949689 POQNDCIOBTWGJA-IERDGZPVSA-N 401.463 0.911 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)cc1 1838950371 LGIILSVENWNLEQ-QFIPXVFZSA-N 421.457 0.661 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)COC(C)C)C2)C1 1839172218 MCVIBEWGBGVABS-FQEVSTJZSA-N 412.483 0.377 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCOC3)C2)C1 1839175720 ARUURCTUFRMPRP-DYESRHJHSA-N 424.494 0.379 30 20 HCED CC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423132 KMDAOEXPPOMGCO-LJQANCHMSA-N 405.838 0.871 30 20 HCED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451780 MXNVHSVHJCZUAT-OAQYLSRUSA-N 401.463 0.973 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3=C4c5ccccc5C(=O)N4CC3)C2)C1 1839808889 IFUXXSKTTIPJJH-HSZRJFAPSA-N 421.453 0.347 30 20 HCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)[C@H](C)S)C2 1845246172 ODNOAJMINZPEGE-INIZCTEOSA-N 418.556 0.594 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c(Cl)c1 1845488315 WSSVXHQVHJCFLZ-GOSISDBHSA-N 418.881 0.679 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H]1COC3(C1)CN(C(=O)OC(C)(C)C)C3)C2 1845960554 NKYUNWZOKISEIO-HNNXBMFYSA-N 403.479 0.849 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@H]2NC(=O)NC2=O)c1Cl 1848129795 NBMFQACMWJSYCC-RDBSUJKOSA-N 415.837 0.625 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 60366048 YKOYVUIKEVYVHX-UHFFFAOYSA-N 424.461 0.591 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 139269202 VPNAELLPGCFWCS-AWEZNQCLSA-N 414.509 0.032 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 410126912 GELVNKTVGDOLRZ-DZGCQCFKSA-N 410.496 0.627 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)cc1 438327432 XKNMOUJATRDAKS-UHFFFAOYSA-N 418.479 1.344 30 20 HCED CCN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 441821883 JLSQHRZEHKIQGC-ZDUSSCGKSA-N 410.356 0.908 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cn1 442251733 NKKMXVCGCCJZKA-UHFFFAOYSA-N 400.416 0.585 30 20 HCED COCc1noc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)n1 444213462 CJLBPSJNUVMAOZ-UHFFFAOYSA-N 407.452 0.603 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)n1 444510462 DWLMUKULKKMAOV-QGZVFWFLSA-N 414.441 1.064 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H](CO)Cc2ccc(O)cc2)cn1 461779935 VTHIBHKMESSBBZ-HNNXBMFYSA-N 406.402 0.503 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](CO)O1 470924804 AJDYIQCQZKDSNY-FZMZJTMJSA-N 403.826 0.944 30 20 HCED Cc1nc(=NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)n(-c2ccc(C#N)cc2)[nH]1 481813440 JOUYIKZWIAOYAC-UHFFFAOYSA-N 418.460 0.469 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC2(N3CCSCC3)CCCCC2)C1=O 482772376 AMGHYROKLNKFMV-UHFFFAOYSA-N 408.524 0.831 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccn2)c1=O 484511809 BKJTXFNLOBQIAT-UHFFFAOYSA-N 400.529 0.793 30 20 HCED CC1(C)NC(=O)N(CCCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 486009005 ROGRYVRQKSWSBX-MRXNPFEDSA-N 411.462 0.886 30 20 HCED CCn1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c([N+](=O)[O-])n1 486619915 KCWAMVQWUILCEF-AWEZNQCLSA-N 418.435 0.762 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489461922 YWVWWHGHOPVJSW-HUUCEWRRSA-N 413.565 0.886 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CN(CC)CC)c2)CC1 491037835 QRZUIBUBHYNALU-UHFFFAOYSA-N 415.538 0.913 30 20 HCED COCc1csc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 499457553 RPNPQAKJENSWEE-LLVKDONJSA-N 401.452 0.627 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 504267320 ZGUMTHKDXKGVQR-GFCCVEGCSA-N 411.436 0.648 30 20 HCED N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 504876857 SWJBMFKIGLJYKR-UHFFFAOYSA-N 408.414 0.952 30 20 HCED CN1C(=O)NC2(CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1=O 508670461 MGKGOQPFFYVEKR-MRXNPFEDSA-N 424.461 0.779 30 20 HCED C=CCn1c(COCC)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 508947367 XCJIWJWTILYPSJ-OAHLLOKOSA-N 401.533 0.877 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)c1=O 515287951 HJHRCVOGRZCWOH-UHFFFAOYSA-N 410.434 0.278 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)ccc1Cl 518009348 GTTKVNYARLTFKF-NSHDSACASA-N 400.844 0.280 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)CC2)c1C#N 518255060 SYWZPQJADUWSLF-HNNXBMFYSA-N 400.483 0.467 30 20 HCED C=CCOc1ccccc1CNC(=O)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 522066572 MSZBMMIXULVZTM-LSDHHAIUSA-N 409.508 0.990 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 531953260 GDKVSWILZQOIHZ-DZGCQCFKSA-N 405.480 0.241 30 20 HCED C=CCNC(=O)CNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 538557333 XVWLRZDMYBJIAS-UHFFFAOYSA-N 410.496 0.403 30 20 HCED COc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2C#N)cc1[C@@]1(C)NC(=O)NC1=O 542710202 BMXUYBZIAGDYQC-MRXNPFEDSA-N 404.408 0.454 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 546710688 AGXXSUIOMVNKRN-UHFFFAOYSA-N 409.450 0.234 30 20 HCED C[C@H](c1ccccc1F)N1CCC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 559131184 IEFSWNWWZSBPTA-CPUCHLNUSA-N 410.471 0.936 30 20 HCED COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 570892114 IMKVNOBXLALNBA-QGZVFWFLSA-N 401.444 0.910 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 578069952 XDYNXNIADGELTN-CVEARBPZSA-N 408.480 0.926 30 20 HCED Cc1ncc2c(n1)CCN(C(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 578358345 BYBQSJRELFWFSF-IBGZPJMESA-N 418.457 0.853 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(F)c1 579775470 WDLHKDPLIAKXLG-UHFFFAOYSA-N 417.419 0.255 30 20 HCED COC(=O)c1cn(CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)nn1 585746545 AZNNVCSSIKWPNG-UHFFFAOYSA-N 414.426 0.334 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1F 589157200 SFFWUUHTDKPOFR-UHFFFAOYSA-N 417.462 0.661 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)c1=O 590666061 PPQOOSHYVSCGSM-UHFFFAOYSA-N 413.390 0.411 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 604270164 QMPZHQBRFUVOFA-UHFFFAOYSA-N 410.499 0.088 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 608889212 AJCHLGVCIXOESV-UHFFFAOYSA-N 400.460 0.654 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3nnnn3-c3ccccc3)CC2)c1C#N 615952901 RHMVQNBWSBDKFM-UHFFFAOYSA-N 406.454 0.608 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)c1 619730462 PWEHGPZBZMEJNJ-ZDUSSCGKSA-N 407.430 0.850 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1 676280002 SKABMZHWYJPFEK-PBHICJAKSA-N 424.523 0.267 30 20 HCED NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(C#Cc4cccs4)c3)C2)nn1 682350587 HRCIIIKXIOSVAL-UHFFFAOYSA-N 420.454 0.860 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 725763796 UNLREGGPPOSUSX-UHFFFAOYSA-N 403.508 0.147 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 729282160 YXYWEPDVBBMUKU-HNNXBMFYSA-N 418.444 0.601 30 20 HCED COc1ccc(OC)c(CN(CCO)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732467326 UJOLMLSWDBDWDK-HNENSFHCSA-N 418.450 0.734 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2NS(=O)(=O)CC)CC1 733148600 DOZINJWAHNMTCB-UHFFFAOYSA-N 406.508 0.346 30 20 HCED CC(C)(C)S(=O)(=O)CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733178618 MXXODLAWJSNHSY-UHFFFAOYSA-N 401.510 0.445 30 20 HCED N#C[C@@H](C(=O)CCSc1ccc2c(c1)OCCO2)C(=O)N1CCS(=O)(=O)CC1 739184334 SPGXDLSWAOYYEZ-AWEZNQCLSA-N 424.500 0.906 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)CC1 749667507 TZYMDXGPGGYIAV-UHFFFAOYSA-N 415.450 0.028 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CCOC 755626605 ABQJGESQMIUHPI-UHFFFAOYSA-N 423.441 0.100 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(CC#N)c1ccccc1 756760695 UXGUFDMARVOJOB-ZDUSSCGKSA-N 405.436 0.187 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O 756889104 YUCANGHNEKKMRZ-ZBFHGGJFSA-N 408.466 0.168 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 761023577 IOMOYHDVQFYPJN-AWEZNQCLSA-N 414.478 0.569 30 20 HCED CCOC(=O)N1CC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 770279531 FGEQQLBGQNCBIT-OLZOCXBDSA-N 408.480 0.851 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Nc2ccn(CC(N)=O)n2)c1 782725399 WKKNFUULURFYMZ-JWGURIENSA-N 419.467 0.825 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 784692820 PBGCDWUDJPSGMH-UHFFFAOYSA-N 423.477 0.848 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2c[nH]c(C#N)c2)c(O)nc1=O 786905782 AANXKWPGZJIUFV-UHFFFAOYSA-N 402.411 0.741 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1cnc(C#N)n1 798741487 RQDBYUACANSUPV-SECBINFHSA-N 402.436 0.932 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1nnn(CC(F)(F)F)n1 799462595 QILJSNJFKGUGEV-UHFFFAOYSA-N 404.330 0.129 30 20 HCED N#CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1N)c1ccccc1 800231873 DXSJKZVZQMAMGP-UHFFFAOYSA-N 402.432 0.647 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)C1=O 807655615 FEIKPHARJIKQSB-MSOLQXFVSA-N 412.490 0.852 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1COc2ccccc2[C@H]1O 811577276 SUVXXZSZUYZIQS-BJOOFOGMSA-N 401.444 0.836 30 20 HCED COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273779 JIMPQRUCVFGCDW-UHFFFAOYSA-N 410.446 0.955 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1nnn(CCOc2ccc(F)cc2)c1C 815632938 BWFGKKMWLAWZDJ-HNNXBMFYSA-N 403.414 0.634 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)c1 915757197 VCAFKVWMXWTUGY-UHFFFAOYSA-N 402.432 0.622 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCOC 916198716 UNUZTAHENLYHGK-UHFFFAOYSA-N 419.478 0.351 30 20 HCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 916872699 IPKRLOYNKOOBGU-RDJZCZTQSA-N 417.441 0.886 30 20 HCED COc1cc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 918331442 LYBWMXHYCUBBGZ-UHFFFAOYSA-N 419.459 0.421 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)NC(C)C)cc2)CC1 919665558 BYYPRBYDZMYQOG-QGZVFWFLSA-N 420.491 0.386 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccncc1OC[C@H]1CCOC1 1117411037 NYZBEGZYQUEZRM-HLAUDOPJSA-N 415.450 0.823 30 20 HCED CN(C[C@@H](O)c1cccc(Br)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1161744555 UUBWPZGBFWBUTD-CYBMUJFWSA-N 407.224 0.775 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)cc1 1176556922 RLMQOCAPJARTCL-FQEVSTJZSA-N 413.455 0.819 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCS(=O)(=O)C1 1288773893 SYVBYXMLIIVEPP-RWMBFGLXSA-N 418.545 0.061 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1291322677 YZMYDMGCRRWWGG-KSMMKXTCSA-N 413.438 0.194 30 20 HCED CCOC1CC(O)(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)C1 1314256288 ZOGINIUXDYKMKD-YRFCHQJDSA-N 414.532 0.557 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cn2cc(Cl)cn2)C(=O)O)c1 1320449340 DCMYPBUQWUWKOG-CQSZACIVSA-N 412.855 0.884 30 20 HCED CCOC(=O)C1CCN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1339433019 OQIVGENMBHDIKH-ISLYRVAYSA-N 407.423 0.248 30 20 HCED COc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N1CCOCC1 1354902312 WWZHTIRFSOSARZ-UHFFFAOYSA-N 405.436 0.574 30 20 HCED CCOC(=O)[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC12COC2 1637460897 LMHCKHUKCYVBPX-CQSZACIVSA-N 421.475 0.153 30 20 HCED N#Cc1cn(CC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)c(=O)nc1O 1638890959 NOPJACBGKXZZAU-OAHLLOKOSA-N 417.372 0.406 30 20 HCED COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1646111791 SILHPAYFTJTWKV-CYBMUJFWSA-N 411.418 0.706 30 20 HCED CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1729693820 VKXIQCGNNWEEPC-UHFFFAOYSA-N 420.481 0.741 30 20 HCED CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 1766348522 LNWDHFKDGPVHHC-QXSJWSMHSA-N 424.527 0.701 30 20 HCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1771119521 RCGUOPPSVGABCW-RHSMWYFYSA-N 412.516 0.387 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1778970413 BQMBRRINLIVTCS-HRAATJIYSA-N 413.478 0.746 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](O)CCSC)CCO2)C1 1778975587 HILQXSOYOHRCRY-VCBZYWHSSA-N 400.541 0.503 30 20 HCED CC[S@](=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779064529 CJQMMEJFDRYRCQ-LGGPFLRQSA-N 424.563 0.674 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1779065148 NSABTTSPOIWYIE-JOCHJYFZSA-N 414.506 0.789 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1779066243 MEZBBERIFNYJAL-JOCHJYFZSA-N 413.474 0.462 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)nc1)CCO2 1779066304 PLQHVSBODLOATQ-QFIPXVFZSA-N 413.474 0.929 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1779103536 WLWYZYBDMNKQNG-VSWNAAFFSA-N 419.438 0.155 30 20 HCED Nc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cs1 1779104149 GISWUJIPCRWQQJ-PZMVWAHESA-N 423.495 0.698 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3coc(CC)n3)C2)C1 1779702792 OUFDPBFXMVIGEN-KKHYBRAUSA-N 402.451 0.539 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3[nH]cnc3-c3cccnc3)C2)C1 1780054787 MINHZVWVYRVIJM-ZHRRBRCNSA-N 423.473 0.954 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(-c4cnccn4)c3)C2)C1 1780185939 AYPQJFBSTWBNDN-QFIPXVFZSA-N 420.425 0.675 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C[C@H](O)CN2)C1 1780602544 GYVRRHFJJMZHJB-OIPACUDHSA-N 401.454 0.435 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781965353 BOKOUMFUHIRCGT-UWJYYQICSA-N 414.437 0.762 30 20 HCED C[C@@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nccnc1C(N)=O)C2 1782183973 HKDJAWWBSMASKM-SEDUGSJDSA-N 407.496 0.021 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782730878 SMUBVGBIFMVFBI-JLTOFOAXSA-N 404.536 0.532 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)cco3)C[C@@H]21 1783530279 PAOURFKXDFTIKN-MJBWGRTLSA-N 415.446 0.092 30 20 HCED COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1783848932 KEDDMGPEOREJOV-NJNPRVFISA-N 400.475 0.985 30 20 HCED C#CCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1784199921 CKMPJEDKDFRFTQ-QFIPXVFZSA-N 416.566 0.790 30 20 HCED CNC(=O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C[C@@H]21 1784407310 MBDIWKHFWCSLFW-FHWLQOOXSA-N 412.490 0.607 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C)no3)[C@H]2C1 1786066482 PFKUQBGNUWCHRN-HBRMBBLDSA-N 402.451 0.435 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786559282 SYKKZSDIEMRIFT-LIUOIIKKSA-N 421.497 0.876 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnccn3)C[C@@H]21 1786857460 QQFROZMAIOUKDM-ZOBUZTSGSA-N 400.483 0.352 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1 1787016254 LWLUMMZRNVTOFC-OWSLCNJRSA-N 418.494 0.629 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](C)[C@H]4SC(=N)NC4=O)[C@H]3C2)C1 1787493245 RAXZLIROTKAVER-YERCRUGSSA-N 420.535 0.735 30 20 HCED CCOc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)nn1 1789345403 IMMCSCXTDDRSKI-MPGHIAIKSA-N 424.461 0.982 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1789890022 DNGDISIDEIFIHZ-ULQDDVLXSA-N 423.510 0.390 30 20 HCED CC(=O)N(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 1789956236 ZQVRFNMQSHDSGM-YFUQURRKSA-N 410.515 0.634 30 20 HCED 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C=CCNC(=O)c1ccc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)nc1 492908325 BCOQPOQIUAOXQB-HOTGVXAUSA-N 423.539 0.473 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCc3cccc(C#N)c3)CC2)cn1 497491697 GKCKXZNGXADDBI-UHFFFAOYSA-N 402.480 0.944 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 502984011 VVJKIPHOYBXWCH-UHFFFAOYSA-N 422.488 0.566 30 20 HCED CC(C)(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1cc(F)cc(C#N)c1 506112582 IQCVCCUOPHLGPA-UHFFFAOYSA-N 402.470 0.978 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1C#N 506242020 ZIKWRFUXDUMQHC-NSHDSACASA-N 419.912 0.526 30 20 HCED C=CCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508494064 NSLWIYUXGODVBD-KRWDZBQOSA-N 411.510 0.895 30 20 HCED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508796352 WFYYWZRRXXVKED-UHFFFAOYSA-N 415.498 0.587 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)COC)CC1 508886262 YVGBDHBVCLVIGR-UHFFFAOYSA-N 423.477 0.673 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCCO1 516677195 QCIHWUCJSNCSCS-QGZVFWFLSA-N 414.510 0.219 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)C1=O 517671796 CXJYKIPTZDFILD-UHFFFAOYSA-N 402.382 0.087 30 20 HCED Cc1cc(=NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[nH]n1-c1ccccc1 527088359 JSIKZWNFSNLZFE-UHFFFAOYSA-N 406.450 0.809 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 534603004 YACJZCHUTXBFQW-MRXNPFEDSA-N 410.499 0.679 30 20 HCED CN(CCN1CCCC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534857790 BVCSVYQKMIRYOW-UHFFFAOYSA-N 419.551 0.419 30 20 HCED CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cn1C 540231521 CDYVXZTZMCZIDT-UHFFFAOYSA-N 410.434 0.756 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)n2)c(Cl)c1 541143344 GVKMBIXIYOQSEJ-UHFFFAOYSA-N 414.809 0.601 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CCC(=O)O)CN2CCOCC2)c(F)c1 547890459 WGFNWDREZRITHE-LBPRGKRZSA-N 403.407 0.680 30 20 HCED CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 551109094 MLKDXCZEJSDMBU-UHFFFAOYSA-N 420.473 0.620 30 20 HCED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC(=O)c1ccc(C#N)cc1 551206816 HHHSQXJBBIIBHD-UHFFFAOYSA-N 407.473 0.970 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)n1 553165344 VMVFDPAJHABHKZ-KSSFIOAISA-N 400.439 0.996 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCC3=O)c2)CC1 560052609 AERDEJMRQYDAIL-UHFFFAOYSA-N 404.430 0.977 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCC(=O)NCc2ccccc2)n1 565392022 APRYZCORLNZBDZ-UHFFFAOYSA-N 417.429 0.900 30 20 HCED CN1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@H]21 569011980 MAKPOIMCDCYJOO-SJORKVTESA-N 412.425 0.753 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@H](CC(C)C)C3)CC2)c1C#N 571319221 RRFARLJVJQXKNB-DLBZAZTESA-N 416.526 0.959 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2snc(C)c2C#N)CC1 572419206 FCCMSJDJPXYZTC-UHFFFAOYSA-N 414.557 0.826 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 573373172 OTIMEFUKPSYLPX-UHFFFAOYSA-N 404.398 0.554 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1F 577990224 FQUNYYUWZMVPEF-UHFFFAOYSA-N 401.442 0.696 30 20 HCED COC[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 579747599 VJEOBERCPZDAGC-HZPDHXFCSA-N 404.442 0.656 30 20 HCED C=CCNC(=O)NC(=O)Cn1cc(I)c(C)c(C#N)c1=O 584379470 DDNDSBQQGBBDCM-UHFFFAOYSA-N 400.176 0.645 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1ccc(C#N)cc1 585713011 ZDVXOPYEFRAXBK-AWEZNQCLSA-N 406.446 0.578 30 20 HCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585771499 VQXWJGNCIMYNIU-CYBMUJFWSA-N 416.482 0.493 30 20 HCED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589393004 COOCTIAYYQMMKP-UHFFFAOYSA-N 409.450 0.794 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NCc2ccc(C#N)cc2)CC1 608833055 VZKXJYQAFVZGGZ-UHFFFAOYSA-N 400.479 0.908 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)NC2CCN(CC#N)CC2)cc1OCC 609332375 GGWIWWOTXMGWRD-UHFFFAOYSA-N 424.523 0.866 30 20 HCED C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610967889 VECPFLAZMRVGRL-JSGCOSHPSA-N 407.496 0.237 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 619109809 JGUVHLJWCWHWOA-UHFFFAOYSA-N 403.464 0.520 30 20 HCED C=CCN(C(=O)c1ccc(CCNS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 619563404 VJSUGBZVPORJKA-MRXNPFEDSA-N 400.522 0.594 30 20 HCED COCCN1C[C@H](C(=O)[C@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1=O 729069098 COIFSJDASCOXEO-ZBFHGGJFSA-N 400.435 0.531 30 20 HCED CN1CCN(Cc2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 735848345 IPGFFFNFMBFESL-QURGRASLSA-N 411.506 0.967 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2nccc3ccccc23)c(=O)n1CCOC 740853774 ZLJRSVDFVGYMJY-UHFFFAOYSA-N 420.494 0.910 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(Br)cn1 742295066 QZOYUFHJSFSQBD-OUKQBFOZSA-N 401.242 0.649 30 20 HCED C[C@@H](CC(=O)NCCc1cccc(C(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742617781 ATGCDLDMQOKJJI-ZDUSSCGKSA-N 414.487 0.962 30 20 HCED C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccco1 744008605 YENJUGBXTJDFKH-ZDUSSCGKSA-N 418.475 0.919 30 20 HCED C[C@@]1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1 755118495 ULDARVGOJCWQHU-LJQANCHMSA-N 421.475 0.361 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 758052293 QBEPZADWVLFMEK-UHFFFAOYSA-N 400.441 0.318 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2coc3ccccc23)c1=O 758076066 FBELHTHLMLXQIT-CQSZACIVSA-N 421.478 0.943 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(N)=O 758641877 CNDZYXVXFRIOCL-SMDDNHRTSA-N 424.479 0.831 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 761030747 LQXNVBFLTSZIRX-MAUKXSAKSA-N 415.943 0.864 30 20 HCED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 761100575 KFDZEDNZKLITKV-UHFFFAOYSA-N 422.445 0.825 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cn1C 762298389 CGZBCIPNBXGSMI-KRWDZBQOSA-N 417.491 0.869 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)ccc1F 762508135 MKKOITRQNMGIIK-LBPRGKRZSA-N 404.485 0.939 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762940329 HYMZEJSYEVHAPO-ZDUSSCGKSA-N 411.480 0.420 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCCN1CCC[C@@H]1CO 763073505 ZZFXJGBCIFALEZ-MRXNPFEDSA-N 422.551 0.858 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 766979922 LHGOZBOGCXKWMU-SNVBAGLBSA-N 405.354 0.783 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)oc2C)c1=O 767952218 FUVDIRCDTPVFIR-UHFFFAOYSA-N 401.488 0.892 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1 769585485 MXQYZHSVQFBGCN-CQSZACIVSA-N 401.510 0.434 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CO)CCC2)c1 773767574 YLZUSTNVAZNDLP-RCCKNPSSSA-N 408.480 0.469 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@@H]1CCCO1 775801734 YRRSTTMKFXYFEG-FTRWYGJKSA-N 400.435 0.264 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(-c2ccccc2C)nn1C)[C@@H]1CCS(=O)(=O)C1 783479935 GYFMREGPCRDTEQ-OAHLLOKOSA-N 414.487 0.983 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O 783844190 HSZFJNJVHGTEMR-CHWSQXEVSA-N 408.455 0.915 30 20 HCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCC(=O)NC2(C#N)CCC2)C1=O 784209033 JNURNXOKPZDBRX-GOSISDBHSA-N 402.382 0.698 30 20 HCED COC(=O)COc1ccc(N(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 784694636 ORWGSSLPXZPZJX-UHFFFAOYSA-N 417.443 0.940 30 20 HCED CN(CC(C)(C)O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784818299 JFFUBHUIJQDRJG-HMMYKYKNSA-N 410.496 0.667 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1C#N 785288162 XJZWWHWLCORWJP-OAHLLOKOSA-N 417.422 0.165 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1 786541450 OWANTFNCHMUYJO-OAHLLOKOSA-N 405.414 0.580 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCN(c2ncccc2F)CC1 787756617 PYIWQCUPZBYHNA-UHFFFAOYSA-N 411.441 0.754 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCC(F)F 796473785 UAKCZUFIPOYICN-UHFFFAOYSA-N 416.450 0.783 30 20 HCED CC(=O)N[C@@](C)(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)c1ccc(S(C)(=O)=O)cc1 797514265 AYDORPIYXDRYCL-ORAYPTAESA-N 423.491 0.745 30 20 HCED Cc1nn(C)cc1S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 809031288 BRGHOAACSRPYLT-UHFFFAOYSA-N 401.452 0.697 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250038 FIODWLZKOXZSEV-UHFFFAOYSA-N 407.446 0.736 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 815859833 OCHRFVOVVSVQJU-UHFFFAOYSA-N 410.471 0.375 30 20 HCED C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 818595622 FJTFXJZKKKDWLL-UHFFFAOYSA-N 401.916 0.950 30 20 HCED CN(C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(C)(C)C#N 919183071 SIGHBWLTXCCRBG-GOEBONIOSA-N 405.426 0.634 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)CCC4)c(=O)n2C)CC1 1116150967 VSQFOMLCBCBACD-UHFFFAOYSA-N 422.554 0.603 30 20 HCED O=C1CCCN1C[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1301093792 QMZHJKRECKQMAC-CQSZACIVSA-N 404.492 0.586 30 20 HCED Cc1cc(C)c(N2C[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2=O)c(C)c1 1301212679 WCEKGDJLWYUWFQ-OAHLLOKOSA-N 409.446 0.915 30 20 HCED CNC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1314983645 PXPGJQLIDUOKAU-QGZVFWFLSA-N 406.450 0.815 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C(N)=O)CC3)CC2=O)cc1 1318117391 FDKPAIYJFUIZDI-MRXNPFEDSA-N 418.457 0.754 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCn4cnnc4C3)CC2)cc1 1318373574 ZRSUGHUPMUXDTF-UHFFFAOYSA-N 400.464 0.593 30 20 HCED CC1(C)NC(=O)N(CCCNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 1341219111 VZPKJBBPPCMUIQ-CQSZACIVSA-N 400.439 0.836 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 1341803590 ZTTXZHUXFKVOHG-CQSZACIVSA-N 421.413 0.910 30 20 HCED COC(=O)CN(CC(=O)OC)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435044252 SVMOTXHDACFRCR-GFCCVEGCSA-N 407.810 0.739 30 20 HCED CCN1CCN(Cc2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1441319192 WWQWBSGHLNJRGJ-UHFFFAOYSA-N 410.478 0.987 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccsc2C#N)CC1 1464071284 VDZNCXIAHRWGGT-UHFFFAOYSA-N 406.555 0.353 30 20 HCED CCCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1515112592 KACSAIHMXRDOCL-QGZVFWFLSA-N 424.509 0.901 30 20 HCED CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552430453 NEOIAFSISJIDKH-WQIZZMQYSA-N 400.512 0.680 30 20 HCED C[C@@H](C(=O)N1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2)n1cnc(C#N)n1 1628737420 VURPOFIIYGAMEI-LBPRGKRZSA-N 403.443 0.744 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 1645477584 RANWJGWRYZKMRW-QZTJIDSGSA-N 411.524 0.670 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1671847892 ABGDTBAZAGNHPH-UHFFFAOYSA-N 417.470 0.994 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1711398240 RQFIMMYQQUDUOC-UHFFFAOYSA-N 417.495 0.034 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1723186299 GZLLECKKFYOVNC-MRXNPFEDSA-N 422.555 0.518 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(O)cc1 1723954431 IWQSSVCLDMSQJV-IUODEOHRSA-N 406.468 0.371 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778721120 DHVTXEUPYDKDJP-QRQCRPRQSA-N 411.458 0.412 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1778970120 XWUFAIFNVGUAKD-UWJYYQICSA-N 404.511 0.756 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1778973395 FLDQMEALGBIRCQ-VPKVUBIPSA-N 416.522 0.918 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1779013672 JLOHOAVVSRSNKK-XNWDXEOPSA-N 404.467 0.615 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067727 ZOXHIXLQWAHAJU-IIBYNOLFSA-N 405.495 0.040 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779314073 CSFDIZCKUCNYCU-DYESRHJHSA-N 409.527 0.960 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(Br)cn3)C2)C1 1779425124 JULMGUCFRNTMNB-QGZVFWFLSA-N 422.235 0.376 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885355 PPXMIAHZWCRPNU-DOAWATSRSA-N 401.467 0.235 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1nsnc1NC)CCO2 1781264506 IRBBPXQKXBKOAF-GOSISDBHSA-N 423.495 0.533 30 20 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O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285201 GESSKLVCEWAHDU-PPAWOMOGSA-N 422.860 0.746 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1840292821 MXCNZGZVCPNNQY-OAQYLSRUSA-N 416.478 0.876 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841625533 NDVJXIVILLIAMO-DZGCQCFKSA-N 405.524 0.753 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1 1843418484 AKTJLBNXEIBBNH-FYCOFBDGSA-N 421.475 0.755 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCCC12CN(C(=O)CN(CCO)CCO)C2 1844253674 IMUSOFXYGJISIT-UHFFFAOYSA-N 423.630 0.528 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)c1cnn3c1OCCC3)C2 1845189307 SQGSKLOLYIQADT-UHFFFAOYSA-N 402.451 0.992 30 20 HCED CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc(C#N)c1)C(=O)C(=O)O 1847473220 ICUGOYQNPVYTIU-IRXDYDNUSA-N 412.446 0.236 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(N2CCOCC2)n1 1847801416 LOEVDTGTMWEWJK-NEWSRXKRSA-N 412.490 0.772 30 20 HCED CCCCn1c(N)c(N(CCOC)CC(=O)Nc2cccc(C#N)c2)c(=O)[nH]c1=O 10565189 HUEZYLVPOPOXRV-UHFFFAOYSA-N 414.466 0.882 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)COc2ccc(C#N)cc2OC)CC1 22086138 ICHSSKFAKCNRBX-UHFFFAOYSA-N 410.496 0.676 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 32772220 CZHZKMMKNZXLDW-OALUTQOASA-N 424.563 0.968 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)no1 46792860 YWYAHXHTHRPNID-UHFFFAOYSA-N 405.436 0.572 30 20 HCED CN1CCC(n2ccc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)n2)CC1 427288666 MRVQYPCVSIAXOB-IBGZPJMESA-N 422.489 1.560 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CCC1 431023661 MPDJWROVOYYMQO-UHFFFAOYSA-N 415.519 0.333 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1=O 440272572 NOECZLBHSZPBJG-MRXNPFEDSA-N 409.450 0.859 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CN(c4ccccc4)C3=O)n2)c(F)c1 441336552 BMLZFWXNBIXMOJ-INIZCTEOSA-N 418.388 1.353 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 441957194 PEJJQZMNCCFGJJ-CQSZACIVSA-N 401.513 0.813 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 443131865 PHUYMYHMRYFBSJ-UHFFFAOYSA-N 410.433 0.723 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 446528972 XSXXDGDEJUOYDF-JKSUJKDBSA-N 405.476 1.000 30 20 HCED COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460611578 VNKSZYLYTOBBIF-MRXNPFEDSA-N 411.466 0.613 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 462020465 MQWZXLNVVKRFTC-QGZVFWFLSA-N 423.477 1.550 30 20 HCED Cc1c(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1C 465321044 HUSGQYIODXBLBJ-UHFFFAOYSA-N 416.463 0.072 30 20 HCED CCN(C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 471149316 TYSMWMFEEQHGHV-RBUKOAKNSA-N 404.536 0.904 30 20 HCED CCN1CCN([C@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)CC1 471163383 VFZPHKUWDLXYGV-SFHVURJKSA-N 415.542 0.215 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 480217971 OEIKPKDYCCRAQY-UHFFFAOYSA-N 402.432 0.104 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1=O 482847274 KRJGZSXJEMBOON-CZUORRHYSA-N 422.507 0.017 30 20 HCED Cn1c(=O)c2cc(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)cnc2n(C)c1=O 494637026 ZPUXYEVJLOCPEJ-UHFFFAOYSA-N 415.413 0.824 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)C2)cn1 497699599 JAJXWEMIIVBNAG-QGZVFWFLSA-N 422.493 0.121 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 503827557 HYGRPXBPFGJKBQ-SJORKVTESA-N 420.491 0.916 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 511722920 KQABQSSNXGOTLU-GFCCVEGCSA-N 408.455 0.956 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513181997 BZZHQEHOYVHSSL-ZDUSSCGKSA-N 400.414 0.658 30 20 HCED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 526283627 TWLNRUHJSUVKMD-UHFFFAOYSA-N 420.491 0.327 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)nn1 544867470 BWWRXANFBAYHKI-LBPRGKRZSA-N 400.399 0.126 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2=O)C1 545893122 PNWSVSLTMOIUDS-INIZCTEOSA-N 421.461 0.999 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)C1=O 546073315 IPZBHTRRZVECFG-CQSZACIVSA-N 405.473 0.605 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)CC2)n1 546205046 BIQWUBIJRPCWNB-UHFFFAOYSA-N 402.418 0.821 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 551370224 GMJPZHJPCCFCOU-RVKKMQEKSA-N 421.505 1.575 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)CN3CCCC3)CC2)c1C#N 551479810 BMMQLGKBHVSUGO-OAHLLOKOSA-N 401.515 0.097 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 554863113 AOJORSXHSFGIHF-UHFFFAOYSA-N 410.478 0.828 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 559560072 BTFIWLYTSHASRI-IEBWSBKVSA-N 401.511 0.547 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC[C@@H]1N1CCN(C)CC1 561013731 DHBWTIHKEFJALT-RDJZCZTQSA-N 415.542 0.933 30 20 HCED CN1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)nc2)CC1 562058004 KYPPLRSTNDSIIU-UHFFFAOYSA-N 414.491 0.622 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCOc2ccc3c(c2)OCO3)c1 564410417 NYOGOEOXMCCPPK-UHFFFAOYSA-N 403.416 0.760 30 20 HCED COCC[C@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 565626227 NHBWKUDXPHYHNO-QGZVFWFLSA-N 411.462 0.959 30 20 HCED CN1CCO[C@@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@@H]21 569011977 MAKPOIMCDCYJOO-DLBZAZTESA-N 412.425 0.753 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCn3cnc4ccccc43)CC2)c1 571543037 NUYQJOTZFLUNJQ-UHFFFAOYSA-N 403.446 0.768 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CC3)CC2)c1 577689983 PIAPROZQIFXQCQ-UHFFFAOYSA-N 412.493 0.854 30 20 HCED Cn1ncc2c1CCC[C@H]2NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585728211 FCECPYWLVABTQN-QGZVFWFLSA-N 407.478 0.966 30 20 HCED Cc1cnc(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1 588870371 ZZJJFAOTBIHPLU-KRWDZBQOSA-N 406.446 0.233 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(CC(N)=O)cc1 589534195 VKGLJPMFORVYSS-CYBMUJFWSA-N 400.460 0.569 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2C2CC2)CC1 590997090 UQXGMFFPGWXYPH-UHFFFAOYSA-N 414.556 0.973 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)nc1 608884771 XPKLJQDWPAHQEX-UHFFFAOYSA-N 421.482 0.727 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 609128587 FEOYLSFLMBTZFW-HXUWFJFHSA-N 411.506 0.720 30 20 HCED CN(C)C(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)ccn1 609860246 BQRCTAVCRVLRNI-UHFFFAOYSA-N 401.448 0.914 30 20 HCED Cc1cnc(O)n1-c1ccccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 609936428 XZSVSNFGQSILAC-UHFFFAOYSA-N 408.422 0.751 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 728536070 HQELBHXSJYZKKL-QGZVFWFLSA-N 416.547 0.949 30 20 HCED N#C[C@H](C(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)N1CCS(=O)(=O)CC1 732907769 CXNVYVPQOVSUGR-DLBZAZTESA-N 406.460 0.824 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)cc1 742847027 IYNWVUHBJFXYEZ-INIZCTEOSA-N 403.485 0.973 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 746393479 INAYFHQIQGZNJE-SFHVURJKSA-N 412.490 0.246 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1 746548551 OMEPFENIBAKNLW-UHFFFAOYSA-N 413.411 0.562 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](O)C2)c1 746814489 VDFNIAQXLVHYLR-OVFHLDOESA-N 422.507 0.811 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ccccc2)n1 755298214 SFQJVYFZMYUTTG-AWEZNQCLSA-N 417.433 0.605 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)COc1ccccc1C#N 759851111 SCJDZUPVMJRFFN-UHFFFAOYSA-N 419.415 0.775 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C3CCC3)s2)c(=O)n1C 760377001 YLAFACUSDDKYIH-UHFFFAOYSA-N 418.544 0.827 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)CN1C(=O)CCC1=O 760817947 CRXQLEZCCNVRJH-UHFFFAOYSA-N 404.423 0.644 30 20 HCED CN1CC[C@@](O)(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 762811242 KIVDVKYTKRGGEG-TVJQZGFISA-N 409.512 0.688 30 20 HCED C[C@H](O)c1cn(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 762974841 QYDJWQWNKWJZKW-LBPRGKRZSA-N 412.429 0.859 30 20 HCED N#Cc1cccc(OCCCOC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 764001004 XXENYKRQZGNCAS-UHFFFAOYSA-N 406.420 0.276 30 20 HCED C[C@H](CC(=O)N1CCC(n2ccnn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 764996000 ZPYAAUSLMGKYSP-CYBMUJFWSA-N 402.480 0.959 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 765773601 XQNNVJRKQLSJTN-ZDUSSCGKSA-N 402.442 0.429 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)c1cc[nH]n1 772534329 XMTLEVLPHFSGPC-UHFFFAOYSA-N 402.367 0.582 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1 776136232 MCEKMMJKQLUVHB-UHFFFAOYSA-N 415.493 0.317 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 778600764 UKQYCHMEJJKURZ-UHFFFAOYSA-N 400.410 0.637 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 781602288 IVZWWIDIBDUPLE-NXPNQGMMSA-N 403.391 0.309 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783480802 VBKIQGBEAXSCEN-PBHICJAKSA-N 420.487 0.626 30 20 HCED C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 791068944 GASIDZXONRPPLC-CQSZACIVSA-N 420.491 0.835 30 20 HCED COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 795186720 ABOFWEXDJSWOLJ-UHFFFAOYSA-N 400.504 0.861 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1=O 799153851 AZFSWPWEFFTNID-WNRNVDISSA-N 404.511 0.763 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC(C)(C)C)c1 799284384 FFYYPZCAVOPMNE-HNNXBMFYSA-N 409.508 0.901 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C 799286209 NTFMSUFAZCOENG-HNNXBMFYSA-N 407.492 0.573 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)CC2)nc1 804401387 JQXHAGGQKUHNSH-KRWDZBQOSA-N 413.478 0.840 30 20 HCED COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 812136392 ZWUXNZYTCLYARR-HNNXBMFYSA-N 405.480 0.998 30 20 HCED CSC[C@@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 813980015 NNJLOCHQONXSBS-GFCCVEGCSA-N 410.521 0.996 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCSC 839369301 FZOAEDDBJVJMJA-UHFFFAOYSA-N 419.576 0.816 30 20 HCED C/N=C(/NCCN1CCOCC1)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 849075162 WMBRJKVJQDPEME-UHFFFAOYSA-N 423.583 0.585 30 20 HCED COc1cc(N2C[C@@H](C(=O)OCC(=O)NCCC#N)CC2=O)cc(OC)c1OC 913363660 RJDFEFCMWSFJDD-LBPRGKRZSA-N 405.407 0.638 30 20 HCED CN(Cc1nnc2n1CCCCC2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 913476664 PIDWIJAOSGMGLP-UHFFFAOYSA-N 402.480 0.702 30 20 HCED COCCS(=O)(=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 915641607 PWZKKLIXWMZFAC-UHFFFAOYSA-N 408.436 0.516 30 20 HCED C[C@H]1CN(C[C@@H]2CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 920250241 CGOCUHGBOYFPAA-XHSDSOJGSA-N 420.535 0.825 30 20 HCED C#CCOc1ncccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1OC 944043906 IAJINHKTPXAJAZ-ZBDIRKKZSA-N 411.458 0.473 30 20 HCED C#CCNC(=O)CN1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1099585640 ZZCBKIVCQPSUQP-UQZKUAJDSA-N 401.507 0.147 30 20 HCED CC[C@H](C#N)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1141241839 MAPPCHIBUOQIBV-OAHLLOKOSA-N 407.496 0.301 30 20 HCED CCC[C@H](O)[C@H](CO)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1161318753 XXZIQMGQDUWOHV-JYJNAYRXSA-N 411.524 0.778 30 20 HCED Cc1nc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)ccc1C#N 1167488209 PEVSBZQHOWVIMH-UHFFFAOYSA-N 413.503 0.998 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)CC(C)(C)CC#N)CC2)cn1 1187258887 YQZYXXMVJNEBLV-UHFFFAOYSA-N 403.530 0.432 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@]2(O)CCOC2)CCO1 1316535692 XWEJYTCCXQGNLG-BLLLJJGKSA-N 423.271 0.916 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)CCO1 1316540868 OQVNLCKIJHEHGE-HZPDHXFCSA-N 402.480 0.547 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1 1318767078 MEBXRVXOCNVNJC-UHFFFAOYSA-N 411.506 0.218 30 20 HCED CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)C1CCN(S(C)(=O)=O)CC1 1319469146 PEYJCMIUHJSUQR-HNNXBMFYSA-N 417.491 0.867 30 20 HCED 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C=CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826931665 KSDFMMNIHMCRQD-NJAFHUGGSA-N 408.543 0.790 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H](NC)C(=O)O)CC1 1826939148 IQRSOAQGXIELBQ-BPQIPLTHSA-N 407.511 0.707 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829895557 GDCZYWTYOVIYKZ-IBGZPJMESA-N 415.481 0.996 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)cn3)C2)C1 1831391884 XCWKYQWCVWLTPD-DYESRHJHSA-N 401.463 0.498 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1831482605 HVZKARHBFDIVGH-QKLQHJQFSA-N 413.584 0.882 30 20 HCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831485132 OLZQMWAQCDKQIM-PKOBYXMFSA-N 415.556 0.266 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3ccco3)CCO2)C1 1832664709 YIQSHGQJWRAIEF-MGPUTAFESA-N 421.450 0.720 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C(/C)C(=O)O)CC2)CC1 1833469137 WHVXREHDPQKPOK-YARYAAFXSA-N 405.495 0.627 30 20 HCED 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O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1836884520 LEMZUTTZAHYLLX-OAQYLSRUSA-N 409.446 0.213 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1837306117 UEWNTLHRASQIER-BEFAXECRSA-N 410.540 0.838 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1837395332 XLEVVOLJBUVTHR-JXFKEZNVSA-N 406.483 0.063 30 20 HCED CC(C)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837599751 WBXBWWMPEFYBPE-SFRQHRMHSA-N 424.542 0.728 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837840677 VAWJMKGCZDQKDT-YWZLYKJASA-N 407.442 0.882 30 20 HCED N#Cc1cccc(C(=O)N2CCC(OC3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1837967748 HXLBPMZQTPYNQH-UHFFFAOYSA-N 423.477 0.857 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838161751 SWCXHSCXEIPDLR-FQEVSTJZSA-N 405.401 0.843 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4c(F)cncc4F)CCO3)C2)CC1 1838164349 CCZVQLCXSNEYRT-LJQANCHMSA-N 406.389 0.734 30 20 HCED Cc1nccnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838738042 NJJQIDMTTGPLAB-FQEVSTJZSA-N 410.434 0.369 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C3)C2)c1 1838741852 FELDDLXEMPAIOZ-KALAIVBUSA-N 414.462 0.524 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN(C)C3)CCO2)C1 1839067156 HPODZTFYNKIVLT-OPYAIIAOSA-N 424.542 0.586 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1839224597 VRZOFZPWHGARDL-BEFAXECRSA-N 407.471 0.291 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)c1 1839452233 PQPMKVXTEKPMTM-NRFANRHFSA-N 424.461 0.228 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839617932 BCXUFWVBPDKNJY-IBGZPJMESA-N 401.398 0.457 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1839809349 YZVODBJMFQDEPA-JOCHJYFZSA-N 421.457 0.274 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839843128 RDRHXBRLYUHDBJ-QRWLVFNGSA-N 404.467 0.767 30 20 HCED CC(=O)C[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840129704 BQFMOKMWEZDOPO-ACIVSAMGSA-N 422.526 0.530 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COCc1ccc(OC)cc1)CCO2 1840254486 WLVOIVSRZKFSKA-NRFANRHFSA-N 402.447 0.301 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1840494636 LIMYHLYZSPTAQQ-HXUWFJFHSA-N 402.451 0.336 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498739 YHXPCXJNBWQRKP-NRFANRHFSA-N 401.463 0.590 30 20 HCED CS(=O)(=O)N1CCC(C(=O)N2CCCC23CN(C(=O)C2(C#N)CCC2)C3)CC1 1843838735 JDRXPEHQWOPQDG-UHFFFAOYSA-N 408.524 0.555 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CCN3CCOCC3)C4)c2c1 1845581373 HHXABNMPKLZUEI-UHFFFAOYSA-N 422.489 0.974 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)CCNC(=O)N(C)Cc2ccccc2)CC1 110942407 UBYSSWPXQMCXHU-UHFFFAOYSA-N 401.511 0.665 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 409563211 VUBGXAOIBHSGAQ-UHFFFAOYSA-N 415.560 0.017 30 20 HCED CNC(=O)COc1cccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 435254540 AUXYWSONZAGJQF-HNNXBMFYSA-N 408.462 0.753 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCN2CCCOCC2)n1 446224532 AYZUFEMKNZTVDE-UHFFFAOYSA-N 416.869 1.174 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)on2)c1 448095755 YFVSDJFNXXWHHN-IAGOWNOFSA-N 416.459 0.129 30 20 HCED N#CCCn1ccc(NC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 469557148 UPPLAXXSCMFITJ-INIZCTEOSA-N 407.434 1.285 30 20 HCED COc1cc(C(=O)NCC(=O)NCC2CCN(CC#N)CC2)cc(OC)c1OC 474118552 ZJZJISDLTIORMO-UHFFFAOYSA-N 404.467 0.794 30 20 HCED N#CC1(CS(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CCC1 477495750 SGOAGCPKMYBKFH-UHFFFAOYSA-N 418.463 0.461 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C1CC1 478853480 KFLLQMBTDMPMOM-UHFFFAOYSA-N 401.492 0.288 30 20 HCED CCOCCOC[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 479779729 RQDADMMXCGZLFK-ROUUACIJSA-N 404.467 0.767 30 20 HCED C=C(C)COCCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 480717139 SHFSXNXBNPHBHK-UHFFFAOYSA-N 418.537 0.887 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CCSC)cc1 484550033 WKMJYXVHMVLWDX-CQSZACIVSA-N 415.537 0.662 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C2)nc1 488001954 WKQRZYRHCYMBTD-HNNXBMFYSA-N 401.448 0.964 30 20 HCED CS(=O)(=O)C1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 498692139 BYVJHPBJEKRKNF-MRXNPFEDSA-N 405.476 0.764 30 20 HCED CCc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1 502053916 AQULNDDVKMMABX-UHFFFAOYSA-N 419.510 0.977 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccs1 502062872 JEJJUNLUHHOSQH-UHFFFAOYSA-N 413.528 0.782 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCOC2)c1=O 505657180 CULXWEOKFAOZDG-CQSZACIVSA-N 415.519 0.016 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508657140 OTMDNQLMDXWHFK-KRWDZBQOSA-N 419.507 0.731 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 508842624 YNRGZKKMKOMPJN-AWEZNQCLSA-N 413.548 0.658 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514032763 LCOABNYUPJPUGT-IQUTYRLHSA-N 417.491 0.465 30 20 HCED COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 515439703 JMZGVAYULPPDSN-WBVHZDCISA-N 417.466 0.860 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(CS(N)(=O)=O)CC1 534142622 XZNZPTCKJJAYPO-UHFFFAOYSA-N 402.480 0.683 30 20 HCED CCN(CCC#N)S(=O)(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 553549204 DIJLXHPEQIOUOQ-INIZCTEOSA-N 410.496 0.875 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 555273177 SNWUGJZWWDYDIP-JSGCOSHPSA-N 411.532 0.505 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)CC1 557732103 MGZWDCPCPZCMQH-UHFFFAOYSA-N 402.470 0.877 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)CC1 561450491 MRKBBSKBADSXLQ-FQEVSTJZSA-N 405.587 0.772 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)C1=O 563909419 HPIZCGBUASZUEZ-IRXDYDNUSA-N 404.511 0.672 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)CC2)n1 564259496 FTZMAXKBVLZHGJ-UHFFFAOYSA-N 402.386 0.510 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)[C@@H]1n1cccn1 568129748 MRISTLKHQSJUAJ-LMMKCTJWSA-N 417.491 0.910 30 20 HCED COCc1ccccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 577288722 IRHFETNCELYGBL-UHFFFAOYSA-N 410.478 0.712 30 20 HCED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 578069925 OAGMJDYXVMRIHR-UHFFFAOYSA-N 417.539 0.839 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC1 587640709 NNDSOENEMLPYRJ-MUUNZHRXSA-N 403.508 0.456 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 590419557 DZZWNMYEENQPSY-ZDUSSCGKSA-N 404.496 0.703 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c1 607159127 PPZMHJTXRHASIQ-SFHVURJKSA-N 420.535 0.530 30 20 HCED CSc1nc(C2CC2)cc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c1C#N 609448127 YFWGWJPJIFNBGO-LLVKDONJSA-N 422.532 0.928 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CC(=O)N1CCOCC1 610156107 UJOZVSDKAHRWSC-UHFFFAOYSA-N 405.499 0.742 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1 610693955 TZWUAQVSNJCWFF-CQSZACIVSA-N 414.491 0.666 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CNC(=O)CCC)C2)c1=O 726185753 MUYAWMCBXUPVLA-INIZCTEOSA-N 405.499 0.130 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 728570466 CVFFVLCEOOSQOS-IRXDYDNUSA-N 414.506 0.391 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N(CC)C[C@H]2COc3ccccc3O2)CC1 728573884 ZNOMUKBYMPSGSS-SFHVURJKSA-N 414.506 0.042 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CNC(=O)c2ccccc2OCC)CC1 729281949 SXPJANVUQIBRRV-UHFFFAOYSA-N 400.479 0.099 30 20 HCED COC(=O)c1ccccc1NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741342469 VTKWAUKKESEWLR-ISLYRVAYSA-N 401.375 0.871 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1CCOC 743725674 XCOPTLZSHIYILT-UHFFFAOYSA-N 413.499 0.508 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 743946195 GQGYSNRGWLFMFI-UHFFFAOYSA-N 409.508 0.815 30 20 HCED C[C@H](OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)N(C)CCC#N 744709142 IYMXVYHJOIZIPL-AWEZNQCLSA-N 409.464 0.625 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 745353326 IYZAWZFALRVXKC-GTNSWQLSSA-N 411.484 0.055 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 747735458 VARQCHMFNYSXAQ-ZDUSSCGKSA-N 411.911 0.995 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(CC)CC)c1 748745232 SLYSASHOKAHVCE-MRXNPFEDSA-N 409.533 0.982 30 20 HCED C[C@H](CC(=O)N1CCN(C[C@H]2CCOC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 749510350 YMARKZXQFWZAGF-HZPDHXFCSA-N 420.535 0.684 30 20 HCED CCOC(=O)c1ccc(N2CC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)nc1 752878755 IKMYARVTEOCXIN-HNENSFHCSA-N 413.434 0.480 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(Cl)cc2)c1=O 758050789 IFAQVQUUQSVOIG-ZDUSSCGKSA-N 415.902 0.851 30 20 HCED C[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCS1(=O)=O 759140395 DRQRTAQRLPLHJD-MGPQQGTHSA-N 400.501 0.964 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1=O 769844677 FCQOQOKQXGZBAH-INIZCTEOSA-N 414.443 0.245 30 20 HCED C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 770801677 LLGWLXCCAQEYCQ-SQYQYFNMSA-N 422.507 0.881 30 20 HCED COC(=O)CN(CCc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 777274484 IWAWLSGGYHWZIU-UHFFFAOYSA-N 415.471 0.969 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)cc1C#N 782138231 RACKZVWQBWTSDE-CABCVRRESA-N 418.406 0.590 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1)[C@H]1CCS(=O)(=O)C1 783480465 QRVWCZBIDRSNHC-ZDUSSCGKSA-N 404.448 0.481 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)n1 789793241 GKABPRFFQGZNDW-UHFFFAOYSA-N 408.422 0.488 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCNc1ncccc1C#N 793186737 GWYDNOOHXSWLRP-GOSISDBHSA-N 400.439 0.097 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(COC)o2)c1=O 794644085 AZSRSRFKASRIFB-AWEZNQCLSA-N 412.467 0.781 30 20 HCED 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C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=O)c1ccccc1)C2 1800990614 XEXKEJOIUFDRRQ-NYCLONFESA-N 405.520 0.714 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1cccc1 1801410697 CGELQFKIONZWDE-SWFHQTGMSA-N 414.506 0.716 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)CC#N)[C@@H]1c1cccnc1 1806280768 NXTCVNCOLJBWEN-UNEWFSDZSA-N 407.496 0.329 30 20 HCED N#Cc1cc(CC(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)ccc1F 1808563521 YIKOVMRNDLHHGR-PBEJRMEISA-N 424.480 0.627 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1c1cccnc1 1810253526 ARNGODHBNWCZPM-LNLFQRSKSA-N 412.494 0.952 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(=O)cn3)[C@@H]2c2cccnc2)c1 1811541014 POZCARKNBMORHX-DNVCBOLYSA-N 417.429 0.998 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2[nH]nc3ncccc23)[C@H]1c1cccnc1 1812878794 MAEDJIMRKSIDAJ-LIRRHRJNSA-N 418.413 0.761 30 20 HCED COc1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nn1 1812880410 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0.530 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834591044 GUSXTHOIOYSXSH-YWZLYKJASA-N 406.435 0.301 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1834761289 WGHSRFTVOMQTSR-HXUWFJFHSA-N 411.418 0.720 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834768612 GCFWRJLWJAMTIF-AUUYWEPGSA-N 410.471 0.270 30 20 HCED Cc1cc(/C=C/C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)no1 1835344785 UTAWMAMBYDAJQL-ZOXCZHJPSA-N 400.435 0.756 30 20 HCED CC(=O)N[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1)C(C)(C)C 1835352429 ZDYUGVNSZWNISA-PXNSSMCTSA-N 408.499 0.297 30 20 HCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1835353623 AMIXZSVRVULATD-OAQYLSRUSA-N 401.463 0.998 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1835360152 VNYCYGSCMVVNNC-HXUWFJFHSA-N 417.466 0.299 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835677991 TXHOMFVOKGGGHW-FQEVSTJZSA-N 418.498 0.070 30 20 HCED N#Cc1cc(CC(=O)NC2CCN(C3CCN(C(=O)CN)CC3)CC2)ccc1F 1836409140 MLVKZKZVHUZSTL-UHFFFAOYSA-N 401.486 0.770 30 20 HCED Cc1cc(C)n(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1837181021 ZQPNEGZVFBKVES-UHFFFAOYSA-N 416.478 0.587 30 20 HCED Cn1cc(CCC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1837933085 BGBGIFYQLMBTPU-UHFFFAOYSA-N 416.478 0.439 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5cccnn5n4)CCO3)C2)CCC1 1838430855 FSGBHRBARUHREK-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C/C(=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2)C(=O)O 1838909042 HOKZZRCOAMVYIO-VYARXKNBSA-N 413.430 0.659 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1839226812 DYDGLGMQPLNWMK-QRWLVFNGSA-N 420.466 0.658 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1)C(F)(F)F 1839892484 PJUDXOGJJPZFHY-KRWDZBQOSA-N 416.400 0.538 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1)C(F)(F)F 1839893841 SPLVOOXOUPAEQD-MRXNPFEDSA-N 402.373 0.907 30 20 HCED CC(C)N[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2)C(C)C 1840159860 POJHLDLYJUSZQB-JTDSTZFVSA-N 401.573 0.784 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1840161293 KIKPAZMQTYHMTE-ZRGWGRIASA-N 408.524 0.657 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](CN)c3ccccc3)C2)C1 1840167509 UQKOZCGCCPEDIM-NZQKXSOJSA-N 413.518 0.989 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1840168496 LZPHZASMUHRRHN-NRFANRHFSA-N 401.463 0.259 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3ON=C(c4ccccc4)O3)C2)C1 1840173868 VNDLVUOKPWGCAM-SFTDATJTSA-N 415.446 0.754 30 20 HCED O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)C1 1840832970 DGBHXUUVIQEAOK-KQBANSRISA-N 403.435 0.134 30 20 HCED CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1843948590 DTNYPEHBYHNLLY-UHFFFAOYSA-N 405.451 0.535 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)ccc1F)C2 1844386613 OTJKTCREGGPSFT-KRWDZBQOSA-N 402.426 0.665 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3cccc(C#N)c3)C2)CC1 1844894717 FTODKQCWNMUHIQ-UHFFFAOYSA-N 409.490 0.539 30 20 HCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2 1845200186 RGZDMHJPAPGKOO-LSDHHAIUSA-N 409.531 0.335 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C[C@@H]2NC(=O)NC2=O)ccc1F 1848130185 RFJQOKWHXOLGLA-JYJNAYRXSA-N 413.409 0.040 30 20 HCED N#Cc1nc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)[nH]c1C#N 26269402 CMHJAMIPWRRZJD-GFCCVEGCSA-N 400.420 0.863 30 20 HCED C=CCn1nnnc1SCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 52895737 YEGHBGQQQQGMNJ-UHFFFAOYSA-N 419.486 0.873 30 20 HCED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 57937523 WFIWHAPWONGKCU-UHFFFAOYSA-N 424.523 0.794 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 65730610 LYKKUYAVQBJLLQ-HNNXBMFYSA-N 411.553 0.663 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 149389847 SHYKNWHHXZCGSH-CQSZACIVSA-N 408.480 0.824 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO 409494490 PDXLWHUPWOZDQQ-RBUKOAKNSA-N 410.540 0.566 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cc(Br)cc3c2OCC3)CCO1 409499101 GZSOVHANDLUONK-ZDUSSCGKSA-N 402.270 0.943 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)N(CCC#N)CCOC)c1 410121732 XTWSLYRWISYWCK-CYBMUJFWSA-N 404.514 0.352 30 20 HCED CN(CC(=O)N1CCC(Cn2cncn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 427983159 KIYYFEYDSMCGGO-UHFFFAOYSA-N 402.480 0.709 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)CC1 430770824 WKDQDBJMTQODPP-UHFFFAOYSA-N 423.564 0.552 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CCCC(=O)N2)n1 435227366 QFMXEKMHGHGNLM-ZDUSSCGKSA-N 400.826 1.121 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCO[C@@H](C#N)C1 436124487 IRJFKQQPBBZRGM-HOCLYGCPSA-N 408.480 0.259 30 20 HCED CCN(CC)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460698568 DILKPUZQYMUJQS-KRWDZBQOSA-N 409.494 1.576 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1ccc2c(c1)OCO2 461752134 IICIKKKMUGYTLI-CYBMUJFWSA-N 408.418 0.544 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 465400196 DSZHOAAFADYRSA-ZDUSSCGKSA-N 421.461 0.692 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@H]2CCOC2)CC1 471003882 GFPSIOPOPYKQOR-INIZCTEOSA-N 416.478 0.239 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 472032649 STTBIKZJNRKANI-PXNSSMCTSA-N 411.506 0.926 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 480449631 RCMQNTIVKNWGMI-OAHLLOKOSA-N 424.486 0.841 30 20 HCED CC(C)C(=O)NC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480784009 FASMXIFFRPAWNU-CQSZACIVSA-N 406.508 0.988 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nccn2C)CC1 488232900 PZYQDBQQVBSBPN-AWEZNQCLSA-N 402.480 0.307 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CC(C)(C)OC3(C)C)CC2)c1C#N 499346296 OJOJLKMKNMDCHZ-HNNXBMFYSA-N 402.499 0.711 30 20 HCED C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N(CCC#N)CCN1CCOCC1 502570109 OAKCPPYMHBTSQA-CQSZACIVSA-N 400.526 0.489 30 20 HCED CN(CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)S(=O)(=O)c1cccnc1 510155572 CJHVBWMQZHCBFR-GOSISDBHSA-N 413.503 0.939 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)nc2n(C)c1=O 510157359 WXFBETLZSGUECZ-MRXNPFEDSA-N 418.457 0.482 30 20 HCED C=C(C)CN1CCC(NC(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 518510269 FVUJTZKLNVYZQM-UHFFFAOYSA-N 423.539 0.873 30 20 HCED C=CCN([C@@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)CCCS(C)(=O)=O 525386704 DQRDTKDZJUEUPR-AWEZNQCLSA-N 413.525 0.976 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1=O 526009900 CNQKEXRKEGLTOD-AWEZNQCLSA-N 403.439 0.351 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c(=O)n1CC(C)C 538842068 RPLGEGJCWBGCTD-UHFFFAOYSA-N 416.459 0.732 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(N2C[C@H](C(=O)O)CC2=O)CC1 548586947 LEFFVXCWLVEPGL-LLVKDONJSA-N 422.419 0.553 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 556538567 GBKFGKANRRUBCT-MRXNPFEDSA-N 422.445 0.991 30 20 HCED CCN(CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 558057991 SGBPZSGAASSNFO-OALUTQOASA-N 411.506 0.718 30 20 HCED CCN(CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 558057993 SGBPZSGAASSNFO-RTBURBONSA-N 411.506 0.718 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 558989007 GVVGSNHASAMUTL-HNNXBMFYSA-N 410.544 0.997 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)nn1CCC#N 559037408 SGDHRHXJYOSOLL-SFHVURJKSA-N 422.489 1.394 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561706832 ITOZVXHYHDSEBK-JLSDUUJJSA-N 414.462 0.086 30 20 HCED COc1ccc2c(c1)nc(CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)n2C 576897332 SIVDMMHYFFIQQY-UHFFFAOYSA-N 424.465 0.466 30 20 HCED COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c(OC)n1 578104445 ZRYCUYRZLNKMBC-UHFFFAOYSA-N 404.448 0.907 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3cnc(OCC(F)(F)F)cn3)no2)C1=O 581527739 TZUWJBFOWQRJPZ-UHFFFAOYSA-N 412.284 0.945 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C4CCC4)CC3)C2=O)cc1 588866442 XKWDEPJQWOAVQF-IBGZPJMESA-N 409.490 0.867 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 589008477 FZONBLMCKFMJTE-UHFFFAOYSA-N 424.465 0.245 30 20 HCED C[C@]1(c2cccc(C(N)=O)c2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 609009458 YYQBMCWBUJTJTN-IIBYNOLFSA-N 408.414 0.864 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1C1CC1 609450369 HLPFEHSHDPOSKK-UHFFFAOYSA-N 401.463 0.958 30 20 HCED CC(C)[C@H](C#N)N1CCN([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 609486902 UCGHKZJWPGQJBF-LPHOPBHVSA-N 421.567 0.547 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC[C@](C)(C#N)C3)cn2)C[C@@H](C)O1 612269595 JXVYJEGWKSTGOP-QEEYODRMSA-N 416.482 0.610 30 20 HCED CCCNC(=O)[C@H]1CN(C(=O)C(=O)N(CCC#N)CCOC)c2ccccc2O1 615255025 XMENRJFKUOJCOC-QGZVFWFLSA-N 402.451 0.695 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@](F)(C#N)C1 615639866 NXOXGYPXIUSUTQ-KDOFPFPSSA-N 410.471 0.972 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)N=c2cc[nH]cc2)ccc1F 726535508 RCTLAGVPVHORPF-UHFFFAOYSA-N 406.439 0.866 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1 729257458 GDDAXCAYENTVFF-UHFFFAOYSA-N 424.501 0.980 30 20 HCED CS(=O)(=O)CCCC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 731287326 COAIFKLTWYLTSL-INIZCTEOSA-N 422.463 0.777 30 20 HCED O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NCCN/C(O)=C1/N=CC=CC1=O 731887006 GBQYNJJWKQXWDP-RPBSFSNWSA-N 423.429 0.023 30 20 HCED COC[C@@H](C)NC(=S)NN=C(C)c1cccc(S(=O)(=O)N2CCOCC2)c1 739399179 AHRMYIGINYMPMT-CYBMUJFWSA-N 414.553 0.931 30 20 HCED C[C@@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745439321 AUTXEIYFTFCTGB-BBOXDSQKSA-N 417.462 0.765 30 20 HCED Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 748415306 JZESFSAWDYJNDC-GFCCVEGCSA-N 421.413 0.996 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccccc2OC)c2nccn2C)C1=O 748530600 AZMAZFJYTXIQOT-INIZCTEOSA-N 411.418 0.611 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@H](CC(=O)N3CCCC3)C2=O)cc1 748613005 HKRFWERJSSTSML-OAHLLOKOSA-N 404.448 0.265 30 20 HCED CS(=O)(=O)CCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CC1 753737063 DDMFWBPLLQLLDG-KRWDZBQOSA-N 404.492 0.878 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757896480 GNZCCQGNBDPDAT-KBPBESRZSA-N 416.500 0.704 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 766991532 YDHUXVDEERJTBI-ZIAGYGMSSA-N 419.459 0.937 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NC(=O)NC1CC1 767678266 XVGMVMMDXDOHAP-GHMZBOCLSA-N 408.436 0.145 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)cc1 773983039 DOFBTJPKXCITFS-INIZCTEOSA-N 421.413 0.724 30 20 HCED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C1 774239923 RYHFOYKGZAFGBE-QHSBEEBCSA-N 419.434 0.595 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 775912085 OPKCOZWFXJBWJG-NSHDSACASA-N 413.452 0.516 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CC(=O)N(C)C1=O 779542205 WAPXTWUWQLYHJG-GFCCVEGCSA-N 407.452 0.065 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1 782908569 YUWPUKDHGIIGKP-UHFFFAOYSA-N 417.466 0.333 30 20 HCED COC[C@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 785122306 CUWSVINNUKFGOS-UONOGXRCSA-N 402.856 0.955 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCc3nc(C)ncc3C2)n1 786675433 URVYBFVRLFAVOS-QGZVFWFLSA-N 410.478 0.263 30 20 HCED C[C@H](OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCC1 787673248 VYZMGJSIMKYOQQ-LBPRGKRZSA-N 424.435 0.757 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 804718277 CORZBUSVJSQVHT-UHFFFAOYSA-N 407.444 0.736 30 20 HCED C#CCCCNC(=O)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 806910094 JFFUVMMQZVYXTP-UHFFFAOYSA-N 403.479 0.886 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c(F)c1 807357160 KWKCJYMBMLHXDV-JEOXALJRSA-N 404.373 0.864 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1C#N 809501388 GHWAGOFBZNOBDT-QFBILLFUSA-N 413.522 0.667 30 20 HCED C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 810084053 PGOFZOGAFQFZME-CALCHBBNSA-N 405.520 0.709 30 20 HCED C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 810084054 PGOFZOGAFQFZME-IAGOWNOFSA-N 405.520 0.709 30 20 HCED COC(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 810413808 JZNKZYDJIGWGQC-UHFFFAOYSA-N 411.422 0.672 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2ncn(C)c2=O)c1 815045693 BJYNNIAVXYNUJN-HMMYKYKNSA-N 406.468 0.423 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)OCCN2CCN(S(=O)(=O)C3CC3)CC2)c1 816012609 RZUWCNPEFMEZNH-UHFFFAOYSA-N 406.508 0.891 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CC(=O)N(C)C1=O 996920865 GBGZHNPNSCTAFZ-ZVZLPEGASA-N 404.467 0.110 30 20 HCED C=CCNC(=O)NC(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCC[C@@H]12 1107554978 PGAMOJMEBCKQSE-OVNJDOEUSA-N 404.511 0.927 30 20 HCED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1ccccc1F 1205633496 XKLGAWBQYYBBDF-FHVBJURUSA-N 412.465 0.773 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)cc1 1290400491 MXOGAFRWCROVKZ-KRWDZBQOSA-N 409.450 0.606 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C1 1316352483 UEGYCLIFSKEABN-SUMWQHHRSA-N 407.475 0.997 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)CC1 1321309470 GZDRDWDRTDQLSO-KRWDZBQOSA-N 415.416 0.731 30 20 HCED CS(=O)(=O)c1nc(C(=O)N=C2NS(=O)(=O)c3ccccc32)c2ccccn12 1337982121 LQVYRGVPDKTUMO-UHFFFAOYSA-N 404.429 0.617 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2nccc3c(S(N)(=O)=O)cccc23)CC1 1340051348 OQJOEHOKOFKTFS-UHFFFAOYSA-N 400.460 0.484 30 20 HCED CNS(=O)(=O)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 1473516948 VWYJPOUSYSFOKY-AWEZNQCLSA-N 400.464 0.305 30 20 HCED CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cn1 1515776926 RAWMWVHGPZYKAY-ZDUSSCGKSA-N 406.516 0.893 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCn1cc(CO)nn1 1541650818 OSVMCHHAVZRSJA-UHFFFAOYSA-N 401.475 0.330 30 20 HCED CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2NC(=O)Cn1cc(C#N)c(O)nc1=O 1569961472 UETMBAMRGOVHLE-ZDUSSCGKSA-N 403.439 0.726 30 20 HCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1CCCO 1611319587 JKFKJFFLTQJAIW-SJORKVTESA-N 403.531 0.986 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCN3CCCC3=O)CC2)cc1 1636712840 MXIWJWQEYBFQPK-UHFFFAOYSA-N 405.480 0.197 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(S(=O)(=O)C2CC2)CC1 1654264405 KVXVSPGNIWESHH-UHFFFAOYSA-N 414.491 0.792 30 20 HCED CCc1nc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)no1 1694590068 YCYVZDIXZXCBTI-SJCJKPOMSA-N 423.474 0.810 30 20 HCED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)CCOC1 1696031774 WDGIXNDKNAMZMG-CZUORRHYSA-N 400.505 0.075 30 20 HCED COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1730761276 ONZZBRVIUSPHSJ-SFHVURJKSA-N 422.511 0.200 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1 1741945597 UKSNMGAXMHNSHT-GOEBONIOSA-N 420.495 0.696 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CCN1C1CC1 1770747274 HMQQXLLFRNONLD-WCQYABFASA-N 418.445 0.919 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4ncccn34)C2)C1 1777933235 KLPKCMJEZRGAKL-HRAATJIYSA-N 413.478 0.746 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1778970710 DWJSIGQHTONJOS-GQIGUUNPSA-N 405.499 0.317 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062607 MJUDYGVJXJCIAL-OAQYLSRUSA-N 400.479 0.562 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc(O)ncn2)CCO3)c1 1780168557 IQVYJCJINXBVPW-OAQYLSRUSA-N 423.429 0.820 30 20 HCED CN(C)c1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)cc1 1780428809 GQYFLMZWBDMUQS-XMSQKQJNSA-N 413.474 0.968 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@](C)(O)C(F)(F)F)CCO2 1781263935 KACKQURCGYBLRN-IRXDYDNUSA-N 422.400 0.639 30 20 HCED 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CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460605981 KVPNASZJIVCRNT-MRXNPFEDSA-N 423.477 1.151 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 462088618 JAALJSDGPSQROI-CQSZACIVSA-N 407.438 1.322 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 465135552 YZARVRGDYBQNGH-AWEZNQCLSA-N 411.466 0.640 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCCO2 465414272 GKGYWYFWKPDBGR-CYBMUJFWSA-N 408.418 0.795 30 20 HCED N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O 466483832 YCPYSVKMDIJOCM-NRFANRHFSA-N 408.462 0.839 30 20 HCED COC(=O)C1CCN(C(=O)[C@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472160095 PJVIDMMYRATDRL-HNNXBMFYSA-N 402.499 0.522 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 481545806 RCCYCAOQBGJTQP-BBRMVZONSA-N 412.471 0.916 30 20 HCED Cc1ncc(S(=O)(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1C#N 489276745 JXVSEEKEYGUAJD-UHFFFAOYSA-N 414.491 0.837 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 490044551 RYNNAEBTMVSLIO-MRXNPFEDSA-N 408.480 0.926 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1Br 498247788 NZVKGPYPSCHUAB-UHFFFAOYSA-N 417.223 0.595 30 20 HCED COC(=O)C1(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCS(=O)(=O)CC1 500188752 MLBLGMCOLYNQNI-UHFFFAOYSA-N 402.432 0.594 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCN2CCN(c3ncccn3)CC2)c1 500654852 WAAOMJHTJJQCQZ-UHFFFAOYSA-N 404.471 0.729 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 533884770 MIMFFTFCWZYOSC-HNNXBMFYSA-N 415.519 0.240 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 537038657 YHIFBESZHOPMRZ-IPMKNSEASA-N 407.559 0.542 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCNS(=O)(=O)c1ccccc1F 538252729 KNIJRKAMLBJWFW-UHFFFAOYSA-N 408.459 0.762 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)NCc2ccccn2)c1 541562112 XQYKHHKZNMUVDZ-UHFFFAOYSA-N 402.476 0.982 30 20 HCED COc1ccc(C)cc1CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 550464828 OGKCIQIMZSLXCH-UHFFFAOYSA-N 424.505 0.925 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 555880085 RUHHIHCDMZJYER-UHFFFAOYSA-N 406.446 0.877 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)CC3CCCC3)CC2)nc1 557326922 LOYXUCAUIYXWDQ-UHFFFAOYSA-N 412.494 0.415 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)n1 557650802 MPFSEDWZYNUDHD-AWEZNQCLSA-N 411.422 0.734 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCOC2)CCO1 559212761 RUMFYLBHBSAQST-YOEHRIQHSA-N 407.438 0.686 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 567971168 VJVOSMIHVNVVOW-UHFFFAOYSA-N 412.427 0.249 30 20 HCED N#CCNC(=O)CNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 568426271 UXVPFBNBGAPKGQ-FQEVSTJZSA-N 419.441 0.256 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 575011756 LDMPYIQQIHXYFW-PMACEKPBSA-N 413.522 0.450 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 575172117 ZRIITZGRGWMDAJ-UHFFFAOYSA-N 404.433 0.738 30 20 HCED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1 581519770 ONRNDGJPQPXHCC-VQIMIIECSA-N 419.551 0.321 30 20 HCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)c1 582767521 KHSHJWQXUGNUAG-UHFFFAOYSA-N 408.524 0.656 30 20 HCED COC(=O)C[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 588214494 HDVKNEPDODUODI-HOTGVXAUSA-N 406.508 0.721 30 20 HCED COC(=O)C1CCN(CCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589311528 IXOJCNRMTIYQRG-UHFFFAOYSA-N 422.507 0.228 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1 589491050 UJQZKQGANUPAFB-HXUWFJFHSA-N 410.455 0.959 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 603552965 IABOETMCCLGWET-UHFFFAOYSA-N 405.483 0.473 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@H](C)O1 604006043 UFPFNJBJCPBCGT-HOTGVXAUSA-N 421.523 0.468 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 610060686 JESXOZNNFZDEKF-HNNXBMFYSA-N 410.496 0.758 30 20 HCED COc1cc(C#N)ccc1OCCN1C(=O)N[C@@H](CC(=O)N2CCOCC2)C1=O 610117105 HXNHPBRLQCWOBJ-AWEZNQCLSA-N 402.407 0.115 30 20 HCED CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC1 610807670 NAQXYSAZOMRKOO-PBHICJAKSA-N 406.508 0.988 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C2 615811486 JCISVHZJHTZYSC-QGZVFWFLSA-N 423.477 0.016 30 20 HCED CC(=O)N[C@H](C(=O)NCC#CCNC(=O)[C@@H](NC(C)=O)C1CCCC1)C1CCCC1 680339362 FFMVCXVRYMBMIN-PMACEKPBSA-N 418.538 0.612 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)N2CCCCC2)CC1 732466195 MVGTXUABTOHTTQ-MSUUIHNZSA-N 404.471 0.446 30 20 HCED CC(=O)[C@@H]1CC(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)=NN1c1ccccc1 733700541 YGBNGUTYTBKBJX-WBVHZDCISA-N 416.459 0.176 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CC1 735315917 QJCXXTUGQAEPEO-UHFFFAOYSA-N 402.476 0.706 30 20 HCED Cc1cnc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 736127812 RJKCGFMWDNKLQU-UHFFFAOYSA-N 405.505 0.839 30 20 HCED C#CCCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 740737370 MACPOOLPFOYPHG-UHFFFAOYSA-N 411.549 0.987 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cn1 746354936 OACJZBSCAOGHAX-UHFFFAOYSA-N 410.434 0.461 30 20 HCED CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746392079 USAZRFAULLXEIG-UHFFFAOYSA-N 405.459 0.014 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 747278262 MXNPYEWKZDWORR-UHFFFAOYSA-N 415.519 0.377 30 20 HCED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 749674076 TWSKEZUGHNGGCI-IBGZPJMESA-N 421.421 0.085 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 761070558 BUBIGZXLQZSEFY-YPMHNXCESA-N 403.443 0.356 30 20 HCED COCCN(C(=O)CN1CCO[C@H](c2cccc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 761757230 JFAIHEVCPCSYAC-MOPGFXCFSA-N 421.519 0.594 30 20 HCED COC[C@@H](O)C(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 766149714 QWYFUEXXMXTJEA-CXAGYDPISA-N 405.451 0.907 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@@]3(CO)C2)c1 782742544 NNVKJYHQZGMPOW-RXSFLLQZSA-N 420.491 0.279 30 20 HCED N#CCNC(=O)CNS(=O)(=O)c1cc(Br)c(Cl)c(C(=O)O)c1 794837287 BUJUPPNFMTWISK-UHFFFAOYSA-N 410.633 0.719 30 20 HCED C#CCC[C@H](O)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 798413100 QEAZJWCLFDEVSP-SJORKVTESA-N 402.499 0.356 30 20 HCED C=CCN1CC[C@H](OC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1=O 798585856 OAIRLGKOVWZLCT-AWEZNQCLSA-N 412.424 0.374 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800100946 TWEGQBFDCCGLIQ-UHFFFAOYSA-N 415.541 0.660 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CSc3nnnn3CC(F)(F)F)CC2)cn1 801286393 ZZHQLJDGFXUFLH-UHFFFAOYSA-N 412.401 0.943 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(c2ccc(C#N)nc2)CC1 801288775 KDMFMGARVQDZQA-UHFFFAOYSA-N 402.455 0.243 30 20 HCED C#CCN=c1nc(N2CC[C@H](N3CCCC3)C2)[nH]c(N2CC[C@H](N3CCCC3)C2)n1 804423842 AKZPFCPASRIKBW-OALUTQOASA-N 410.570 0.688 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 805058527 SWSUTIRNYIWBOL-UHFFFAOYSA-N 413.478 0.572 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 805378268 ORUCFDVTWMXSCH-UHFFFAOYSA-N 423.535 0.493 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2c(C)noc2C)c1 810169991 DHSBKZDIQFLQHH-UHFFFAOYSA-N 404.448 0.648 30 20 HCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)c1 917921411 SWGQBWNAVMZPTA-UHFFFAOYSA-N 421.500 0.835 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 919548731 WUIKHSDQAKIDLB-MRXNPFEDSA-N 410.434 0.610 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1006156884 LCPUCBACZGOQLK-ZSAUSMIDSA-N 404.467 0.156 30 20 HCED CCn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC#N 1110683007 LZHWNLHJOSUXEY-GMKVZWAMSA-N 400.483 0.342 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301037307 SVDBQGPSQNGESS-CABCVRRESA-N 421.933 0.725 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1316532870 XHIAUZGEXXWBGH-MSOLQXFVSA-N 420.470 0.255 30 20 HCED CCn1cnnc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1318379789 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 461308702 VGPBRMYRNDSTQY-UHFFFAOYSA-N 400.420 1.543 30 20 HCED C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC[C@H]1CCS(=O)(=O)C1 462796566 SLQZYRXINJPHFG-NWDGAFQWSA-N 417.447 1.366 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(S(N)(=O)=O)c1 465268248 SEHJXQLFKSUUOD-GFCCVEGCSA-N 401.452 0.738 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cc(C#N)cc1F 467135202 GVMYVAVDHDVXQM-LLVKDONJSA-N 421.447 0.150 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H](C)CC#N)CC2)c1 468887046 HEOOZVANWKUVMX-HNNXBMFYSA-N 406.508 0.956 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 468964190 NKZDSLAQSCDAMO-CQSZACIVSA-N 421.479 0.852 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 473388960 OEVZDXQZMNTPSN-OALUTQOASA-N 410.474 0.899 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CCCN(CC#N)C2)c1 479902675 OGKNCDYRHGXYMQ-INIZCTEOSA-N 423.539 0.231 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482159628 XWRRNXIZBLPZII-IAGOWNOFSA-N 421.567 0.615 30 20 HCED COc1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1C(N)=O 483117737 OXKARPBGOVAJHO-SNVBAGLBSA-N 403.420 0.366 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](OC)[C@H](OC)C2)cc1 488633284 SSWQOSPYKZXVOB-HZPDHXFCSA-N 411.480 0.304 30 20 HCED CCCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 497461577 IQZAUXZAAPQYOZ-AEFFLSMTSA-N 419.551 0.889 30 20 HCED CN(C(=O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1(C#N)CCCCC1 502336781 ZCEVFYYDVXTBSJ-KRWDZBQOSA-N 412.556 0.798 30 20 HCED N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 502385542 KVALEWZNVAAVRH-PKOBYXMFSA-N 409.508 0.424 30 20 HCED C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508904817 WIDCBZXNBQNKJP-ZDUSSCGKSA-N 418.404 0.880 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@@H]([C@@H](C)CC)C1 510429429 ZNUYOYUYYTWLKP-JKSUJKDBSA-N 422.530 0.042 30 20 HCED CCOC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1 511659041 OLLDJEDQLDQZLA-CRAIPNDOSA-N 423.491 0.653 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1 514523586 SXHXGDGLDWREMY-UHFFFAOYSA-N 416.459 0.851 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1=O 515247967 JQEGIBRUBKWSPK-QGZVFWFLSA-N 414.510 0.424 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Sc3nncn3C)cc2)C1=O 521471948 FXIZWHICSFIZOQ-UHFFFAOYSA-N 400.420 0.882 30 20 HCED C[C@@H]1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 523056611 HVSVXSAWAHTIAK-MRXNPFEDSA-N 420.535 0.796 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)n1 525856665 CRULMCUUUVRBGZ-UHFFFAOYSA-N 400.439 0.636 30 20 HCED CCOC(=O)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CCOCC1 534019342 SIMLSTARQSGDDB-GOSISDBHSA-N 423.491 0.653 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCC(=O)N(CC)CC)CC2)C1=O 542070814 GMRAEDPOMFDJCV-UHFFFAOYSA-N 406.483 0.850 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(O)Cc2ccccc2C1 547306256 LYWKQGAMJCUNJC-UHFFFAOYSA-N 416.441 1.032 30 20 HCED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 555589313 ZLCROLJFVFUKFH-YTQUADARSA-N 409.490 0.865 30 20 HCED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 558995988 VYCPDXXSZLGPTQ-INIZCTEOSA-N 402.499 0.629 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nc(C)ns2)CC1 567968659 UKWIXHKEHNXBLY-CYBMUJFWSA-N 409.541 0.853 30 20 HCED Cc1nsc(N2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)c1C#N 568689646 WLWFSDOKZPQDPR-UHFFFAOYSA-N 411.534 0.923 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@@H]3CCN(C4CC4)C3)C2=O)cc1 572786077 KXVPEWCKVZHBHO-LPHOPBHVSA-N 409.490 0.770 30 20 HCED COc1ccccc1OCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 585683915 VOZXFFHVCOPFOV-UHFFFAOYSA-N 409.446 0.806 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 589411405 USVZSGZIXZLNIO-GFCCVEGCSA-N 402.436 0.113 30 20 HCED Cc1nccnc1N1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 589422081 HHELBXFVSUYGFX-UHFFFAOYSA-N 417.433 0.525 30 20 HCED Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n(CCC#N)n1 609620115 OLZCCTGIBCZGMD-ZDUSSCGKSA-N 416.463 0.744 30 20 HCED CN(CC(=O)NC1CCN(C[C@@H]2CCOC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 609886402 OLVACMUBETZIQZ-KRWDZBQOSA-N 420.535 0.796 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 610797230 ZJVHZNSIUPINFB-LBPRGKRZSA-N 422.488 0.772 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 610807107 JPSSIAIVTHRXRX-NVXWUHKLSA-N 419.551 0.510 30 20 HCED Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619356376 FUXQRBFGDFWAAT-OAQYLSRUSA-N 411.462 0.994 30 20 HCED C=CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 729977651 XXDSJVNNVINVCZ-UHFFFAOYSA-N 407.492 0.858 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCOC2)cc1 730071947 FBNUIMORDJGZOX-FJGOLAJPSA-N 408.480 0.733 30 20 HCED N#C[C@H](C(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1)c1nc2ccccc2s1 730571987 ZXEDDIJZBLZYGE-CHWSQXEVSA-N 407.521 0.978 30 20 HCED CON(C)S(=O)(=O)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732415662 CVOFMSKKQHOOPH-FOCLMDBBSA-N 423.451 0.516 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 743892117 XHXQPEBLNRWJHS-CYBMUJFWSA-N 411.455 0.564 30 20 HCED C[C@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745443672 FJMXHVUMJIAUHR-ZVEIASASSA-N 411.414 0.637 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@]3(CCc4ccccc43)C2)c1=O 753813517 CSZHCXHSYXZTBC-JOCHJYFZSA-N 410.474 0.675 30 20 HCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(C2CC=CC2)C1=O 759696125 GUSJKJTVFYARSP-GALDBLJUSA-N 422.532 0.989 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(C)Cc1cnn(C)c1 767625682 CXCXGTBDITXPBG-ZDUSSCGKSA-N 419.463 0.160 30 20 HCED Cn1c(=O)c2ccc(C(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)nc2n(C)c1=O 774239606 OFERUOXNEBALQE-UHFFFAOYSA-N 415.406 0.302 30 20 HCED O=C(C#Cc1ccc2c(c1)OCO2)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779573946 NGPBYTPNXJGPSX-INIZCTEOSA-N 406.460 0.420 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1-n1cnnn1 781595552 HCNMXENMIPIZEH-UHFFFAOYSA-N 402.367 0.800 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@H]1CCS(=O)(=O)C1 783481437 XPZNESOVCQGYPQ-HNNXBMFYSA-N 407.492 0.344 30 20 HCED C[C@]1(c2cccc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)c2)NC(=O)NC1=O 784259971 OCYHZSIHJUKZTM-LJQANCHMSA-N 406.358 0.718 30 20 HCED CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(=O)Nc1cnn(CC#N)c1 784432637 MGVVGBRSINESIA-UHFFFAOYSA-N 419.486 0.356 30 20 HCED C[C@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1(C#N)CCC1 787673036 UVMGYEJYKVFCAS-LBPRGKRZSA-N 424.435 0.757 30 20 HCED Cc1nn(CN2CCN(c3cnccc3C#N)CC2)c(=S)n1CC(=O)N(C)C 793667360 IWWDHIYDBXYAJP-UHFFFAOYSA-N 400.512 0.857 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC 796242790 NSSCSTVWBLIREG-CQSZACIVSA-N 418.516 0.951 30 20 HCED C=CCNc1nnc(S(=O)(=O)Cc2c(C)nn(CCS(C)(=O)=O)c2C)s1 797805861 IGRGXHIRQCESGJ-UHFFFAOYSA-N 419.554 0.968 30 20 HCED N#Cc1ncn(CCNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 804619938 GSSVYSYUNKOGCM-CDVVCGDMSA-N 407.434 0.069 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2C1=O 805092776 XZNQHYJMBPKGJG-UHFFFAOYSA-N 411.443 0.690 30 20 HCED CCCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc2Cl)CC1 807401116 JDGMATBXMHLBFI-UHFFFAOYSA-N 420.901 0.566 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1)[C@@H]1CCCO1 809313567 VTMDGGXZYJJWBX-WMZOPIPTSA-N 423.473 0.277 30 20 HCED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 810779989 JNEYWHZXHWHLIS-UHFFFAOYSA-N 420.459 0.835 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@]2(C1)NC(=O)N(CC(=O)NC1(C#N)CCC1)C2=O 812252905 IRWPOELAXGTQNT-LJQANCHMSA-N 405.455 0.870 30 20 HCED CO[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C1CC1 815852607 BLPCZMGCKIWFFH-VBUUPXLYSA-N 422.507 0.979 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(C(N)=O)C1 819788539 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0.256 30 20 HCED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 1309520851 LXFOYIDBYGAIHZ-UHFFFAOYSA-N 404.489 0.388 30 20 HCED CS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1316359942 NAIXCADKIJUBLH-KRWDZBQOSA-N 422.442 0.665 30 20 HCED C[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCN(C)CC1 1318605485 BTFQQNXEKWCUJH-YJBOKZPZSA-N 412.494 0.515 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CO)CC1CCOCC1 1320809833 XGPQRJFJZJOOQS-PBHICJAKSA-N 409.508 0.766 30 20 HCED C=CCn1c(Cc2noc([C@@H]3CCCCS3(=O)=O)n2)nnc1N1CCOCC1 1320960993 AFTOZFGAQJQENY-ZDUSSCGKSA-N 408.484 0.914 30 20 HCED N#CC1(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOCC1 1324021340 IRTPTGMEZSTOSI-LSDHHAIUSA-N 414.480 0.045 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1324635903 NEKPVALGUOLYTI-UHFFFAOYSA-N 409.508 0.070 30 20 HCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)C1(C#N)CCOCC1 1340582655 JITOMWJEXOYDMG-GFCCVEGCSA-N 407.448 0.475 30 20 HCED 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O=C(O)C#CC(=O)N1CCCC[C@@H]1C1CCN(C(=O)COC(=O)C(F)(F)F)CC1 1831671788 XQUGARLSOUYPJT-CYBMUJFWSA-N 418.368 0.800 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831673551 NGVNDIBOFIXAJM-FOIQADDNSA-N 408.451 0.310 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1832452001 OPXHYOPFCZXORV-LJQANCHMSA-N 408.524 0.567 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1ccsc1)CCO2 1833142040 CINGUDYYLJKREV-VQSDEBNRSA-N 404.444 0.306 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833469640 PGLHCYVFICOAED-UHFFFAOYSA-N 419.530 0.228 30 20 HCED COc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)cn1 1834525769 QTLWYHSJPZXKTP-IBGZPJMESA-N 403.439 0.105 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](N)[C@H](C)CC)CC2)CC1 1834681866 HHXMSPSMFVHZBA-MBOZVWFJSA-N 406.571 0.970 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835192086 CJICFIVIHLKSPB-UWJYYQICSA-N 410.511 0.443 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(Cl)cnc4O)C3)C2)CC1 1835339315 MDBTYJXYQSQJIP-LJQANCHMSA-N 420.853 0.814 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cccc1C=O 1835342081 JZGKLVXVZIYJEP-HRAATJIYSA-N 414.462 0.622 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)C1 1837440159 DLLSJNLLHLLYAR-CMLOMQFCSA-N 418.538 0.961 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1837443982 OEUAVXJRSBVZNH-BOURKTIISA-N 403.483 0.556 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H]4F)C3)C2)c1 1838584736 DEKSZHZWLRIILC-BBTUJRGHSA-N 417.437 0.995 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)C[C@@H]3C)C2)C1 1839175541 PCEOHWXQRCRDRT-ZLGUVYLKSA-N 408.495 0.998 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccccc3C(N)=O)CCO2)C1 1839351620 NWMOBZKUWLJWFR-ORAYPTAESA-N 407.492 0.174 30 20 HCED Cc1cccc(C)c1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839370028 MCDBJSUPGGLXBD-OAQYLSRUSA-N 400.431 0.461 30 20 HCED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)ccc4F)CCO3)C2)COC1 1839419002 GZCSEAJXTLJDHF-OAQYLSRUSA-N 417.437 0.804 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncn4C)C3)C2)c1 1839451650 HRHDORFMABRDLP-QFIPXVFZSA-N 423.473 0.984 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCCC3(F)F)C2)C1 1840040115 OLSDUIUHVMZTOO-RDTXWAMCSA-N 414.405 0.356 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cccnc3)C2)C1 1840159897 PZTQQPCWHJCBGS-ZRGWGRIASA-N 408.524 0.657 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1cccn1 1840444790 GPVYAACBYHQLCQ-UZLBHIALSA-N 401.467 0.594 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)c1Cl 1842945515 BOSUNMQWNLIDLU-AWEZNQCLSA-N 403.870 0.621 30 20 HCED Cc1c(C(=O)N2CC3(CCCN3C(=O)C/N=C/c3ccco3)C2)cn2[nH]cnc(=O)c12 1844314798 YJYQNQQBUCSXRN-GZIVZEMBSA-N 422.445 0.860 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)[C@H](O)c2cccc(Br)c2)C1 1845042198 DZOZAQCZFHKWBB-MRXNPFEDSA-N 421.247 0.774 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845176897 XCSOMQXFZGWGSA-LSDHHAIUSA-N 408.499 0.794 30 20 HCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1845199770 UAFKZPBUNZJXCK-CQSZACIVSA-N 422.530 0.532 30 20 HCED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)CN1CCNC1=N)C2)c1ccc(O)cc1 1846413660 ATXIVHADEOXNFC-SFHVURJKSA-N 423.517 0.933 30 20 HCED CN(CC(=O)NCCNC(=O)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 26070153 ODVVZDCBIZWHOR-UHFFFAOYSA-N 400.460 0.725 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 41618547 YHMRTGFHWUBKHY-AWEZNQCLSA-N 415.537 0.552 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 48159917 IPTUNMZNIDEDNT-UHFFFAOYSA-N 415.494 0.611 30 20 HCED CCOc1ccc(C[C@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C(=O)OC)cc1 409584426 KOUCDVIHUIOXGN-NVXWUHKLSA-N 411.480 0.476 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)CCN1CCN(c2ccccc2)CC1 410154850 PVFZFHUCKHJZAR-UHFFFAOYSA-N 409.556 0.847 30 20 HCED N#CC(C(=O)NC[C@H]1CCCO1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C1CCC1 430977096 JWMAOGIJQQDINS-MRXNPFEDSA-N 424.482 0.898 30 20 HCED COCCCN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@H]1CCS(=O)(=O)C1 433657437 BMPAEVVWOPFMAN-INIZCTEOSA-N 405.476 0.500 30 20 HCED N#Cc1ccc(NCC(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)nc1 438024657 RRPZBWPVOZWWLL-XLIONFOSSA-N 403.442 1.541 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1=O 439457335 QPCNECHKVWEXOU-UXLLHSPISA-N 418.498 0.770 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1=O 440234491 AIPLTFJNJAEJDS-KRWDZBQOSA-N 404.442 0.846 30 20 HCED CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 441845537 IVUGDQSABRMGAP-MRXNPFEDSA-N 402.451 0.991 30 20 HCED N#CCCn1ccc(=NC(=O)C(=O)NCCCN=c2ccc(C(F)(F)F)c[nH]2)[nH]1 444508285 SEVQCTKUOVTTII-UHFFFAOYSA-N 409.372 0.611 30 20 HCED COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446532548 RDRMJLIZPZCXNB-UHFFFAOYSA-N 405.411 0.616 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)Nc2nn(C)cc2C(=O)OCC)cc1 446689332 ULTQYGHWZIBRQN-UHFFFAOYSA-N 414.422 1.482 30 20 HCED CCN1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)CC1 460611795 LWWSIXZBQAKMAP-SFHVURJKSA-N 422.493 0.316 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 463732942 ZMNJQZGKXSSPFB-ZIAGYGMSSA-N 410.492 0.929 30 20 HCED CC[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)N1CCOCC1 464808630 LKNIEBMLPKRFQO-CABCVRRESA-N 401.471 0.206 30 20 HCED COc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N[C@@H]1CCOC1 466352459 LDJFKGNJSLKVFD-DGCLKSJQSA-N 420.451 0.425 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)CC1 471154065 LGRMZPYUVDRNOA-MRXNPFEDSA-N 408.462 0.931 30 20 HCED Cc1nn(C)c(N2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1C#N 472098396 ZRMAXZWQHJFQDC-GOSISDBHSA-N 403.446 0.926 30 20 HCED CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472151359 GDTCFUOXPDGDQU-KRWDZBQOSA-N 402.499 0.666 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 473364333 CZHPFEYTZUZWTM-UHFFFAOYSA-N 413.478 0.834 30 20 HCED CC(C)[C@@H](CCO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475132492 VTACRIMELNBWSF-QGZVFWFLSA-N 408.524 0.388 30 20 HCED COC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 475306983 WYWDCXRRWYIQTQ-IBGZPJMESA-N 417.485 0.325 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 475927779 SDEUFTPVYXHAPF-IRXDYDNUSA-N 404.492 0.447 30 20 HCED C=CCNc1nnc(S(=O)(=O)CC(=O)N[C@H](C)C(=O)N2CCCCC2)s1 479033786 WTIHGUJKTUVYPZ-LLVKDONJSA-N 401.514 0.427 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC(C#N)CC2)cc1C 485372008 HYQCJWKUEAPNCN-KRWDZBQOSA-N 406.508 0.978 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 485897732 KERXWJGNPVPSOA-QGZVFWFLSA-N 422.507 0.187 30 20 HCED N#Cc1c(CCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 488697595 PGXZCKLVDVWLMY-JKSUJKDBSA-N 400.414 0.547 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 489458339 QZYGFJYCFZOWAJ-BHEGOAEISA-N 412.556 0.541 30 20 HCED Cc1nnc(SCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)n1CC(N)=O 502889742 SWRULLZSQFZNQI-ZDUSSCGKSA-N 419.536 0.635 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)nn1CCCOc1ccc(F)cc1 508943729 VSNSOXFVANTTJE-UHFFFAOYSA-N 416.413 0.494 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CC(=O)OC)C1 508965844 XLUFFEGMUOAGGX-MRXNPFEDSA-N 410.438 0.875 30 20 HCED N#CCNC(=O)CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 511018112 QWQBYMMIDUVMCA-UHFFFAOYSA-N 414.509 0.169 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC1(CS(C)(=O)=O)CC1 541359546 DPVNKTJAALAVCS-UHFFFAOYSA-N 409.464 0.463 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1 542285786 YHSMGTHHOCPOCU-RRQGHBQHSA-N 407.492 0.661 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 551188437 NGVLNITWIHJBRQ-HNNXBMFYSA-N 409.450 0.474 30 20 HCED CS(=O)(=O)c1ccnc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 551351073 BMHOOSFODUEKTH-UHFFFAOYSA-N 408.461 0.929 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)CN3CCCC3)CC2)c1C#N 551479809 BMMQLGKBHVSUGO-HNNXBMFYSA-N 401.515 0.097 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 552192283 MILWZRKJPVWHSW-UHFFFAOYSA-N 421.548 0.436 30 20 HCED COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C2=O)c(OC)c1 553887522 SRSUABGJZOOSKP-CZUORRHYSA-N 410.496 0.873 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(=O)O 554677647 JIPRTTHNZBYCFG-HNNXBMFYSA-N 402.494 0.862 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1 555704971 IDOIQMUCENJBEJ-UHFFFAOYSA-N 405.499 0.124 30 20 HCED COCCOc1ncccc1CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 556151307 YFPCRMZHEYTMDA-UHFFFAOYSA-N 423.473 0.943 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc4c3OCC(=O)N4)CC2)n1 558516769 IQMDKTAPYYWLCJ-UHFFFAOYSA-N 406.402 0.571 30 20 HCED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 558982313 JKMUZGRPGGPNNT-HNNXBMFYSA-N 422.511 0.998 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 559908537 VAKMXEWARMSUPB-CABCVRRESA-N 405.414 0.927 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)c3nc(N)nc(N4CCOCC4)n3)CC2)cc1 561090515 BDUFIQSEJVYZAO-UHFFFAOYSA-N 422.493 0.510 30 20 HCED COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)n1 562257501 VLYNZVFVDCXIDO-LBPRGKRZSA-N 404.448 0.954 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 565912811 NOSOOUKYWQDNMC-UHFFFAOYSA-N 420.477 0.177 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3cccs3)CC2)n1 566930972 FLSDMOXLRYEOKH-UHFFFAOYSA-N 414.491 1.494 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 571629969 YUEMTOFRJQDYSQ-OFJJUDJNSA-N 416.503 0.587 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)n2)c(F)c1 576055818 HJWACKYNNVVFKK-HOCLYGCPSA-N 410.409 1.091 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccnc(SCC)c2)CC1 581272436 QPWXQZLRCLUGMW-UHFFFAOYSA-N 405.524 0.256 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2cnccc2C#N)CC1 583669558 OFBBDZAGJJRULZ-GOSISDBHSA-N 413.526 0.728 30 20 HCED COc1ccc(OCCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 585693396 LVPMJFXODGGIKD-UHFFFAOYSA-N 409.446 0.806 30 20 HCED COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)C2 588036098 SKSSIZXFRLYEOA-QGZVFWFLSA-N 421.457 0.730 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1 588289583 CJANIOPFNTZPDK-OCCSQVGLSA-N 415.493 0.386 30 20 HCED Cc1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)nc2c1c(=O)n(C)c(=O)n2C 609990648 RGSCOZXTKGBMSD-UHFFFAOYSA-N 419.445 0.170 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CCN(C)CC1 610500684 GOTXEPIHECFURG-UHFFFAOYSA-N 413.528 0.359 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(C)cc(C)cc1C 679821442 KZIGSDIMFFOZBZ-CVEARBPZSA-N 409.508 0.154 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(Br)cc2)C1=O 726043624 YWEMFQRYCNDTKV-UHFFFAOYSA-N 424.207 0.908 30 20 HCED N#CCOc1ccc(CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)cc1 727678766 DGZJTRMLARJDHL-UHFFFAOYSA-N 416.415 0.461 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 728590180 VNXSVEMJMKQDHP-UHFFFAOYSA-N 416.906 0.523 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CN(C)CCN1C 732148277 XOCUHHZOBNKQLP-RDJZCZTQSA-N 421.567 0.502 30 20 HCED CS(=O)(=O)NC1(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCCC1 732440770 HRZRDOZGHHNOHQ-PFONDFGASA-N 413.500 0.064 30 20 HCED C#CCNC(=O)c1ccc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1 732920867 CPZVWZUHRMCOAY-UHFFFAOYSA-N 409.471 0.716 30 20 HCED C=CC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccncc1 734681434 VNCXSGSBPCAVEO-SFHVURJKSA-N 422.555 0.518 30 20 HCED C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742690987 HTRBUOZJSLXRLH-FRRDWIJNSA-N 413.521 0.538 30 20 HCED C#CCCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 743970774 YFNDSJFGPBFTAE-UHFFFAOYSA-N 423.491 0.574 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCN(C)CC1 747412809 UFMYLVZIDYFBPZ-INIZCTEOSA-N 422.551 0.857 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)c(F)cc2F)CC1 749666239 GFWUKMDBQOAMJG-UHFFFAOYSA-N 423.420 0.308 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](C)(O)C2)cc1 749771223 CFSCDCOMVPTYDK-KETZHDHUSA-N 408.480 0.421 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 757836358 FSRYQASHEMCAEF-RJAOAUJVSA-N 408.455 0.677 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2nnnn2CC(F)(F)F)cc1 758339905 BICAZWMNXNEKPR-UHFFFAOYSA-N 404.330 0.129 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680009 PRRLMBDRHPPSMS-UGSOOPFHSA-N 406.464 0.823 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 769453910 GGYMBGAXUCZUAE-UHFFFAOYSA-N 404.435 0.962 30 20 HCED COC(=O)C[C@@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 771657004 RCDBGRLPKOAOMP-SFHVURJKSA-N 409.464 0.344 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2nc(C)c(Br)s2)CC1 771750572 HYOXVEUGHFQQGL-UHFFFAOYSA-N 421.342 0.270 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 773222105 SXUGXFLLTKWRBL-UHFFFAOYSA-N 412.490 0.794 30 20 HCED C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)[C@@H]1CCCO1 775342241 UYJCIVYGSNQKBA-OALUTQOASA-N 424.519 0.881 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 779511265 SKTOBFUUUHZWQP-MAUKXSAKSA-N 421.519 0.011 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)ccc1F 779565216 NMUHIHOTJFQTOE-NSHDSACASA-N 409.443 0.632 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1 783347267 LXDDGNLARPIONE-UHFFFAOYSA-N 403.460 0.552 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 793206253 YCQLBUQPGSVBJT-GFCCVEGCSA-N 405.432 0.560 30 20 HCED N#CCNC(=O)CNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 804820072 ZSNPEAHXGFLFOP-UHFFFAOYSA-N 418.387 0.732 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)CC2)c1C#N 806691110 PLYWMKFXOGUJRR-HNNXBMFYSA-N 416.482 0.051 30 20 HCED C#CCCS(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 810782665 VNMRFBVYQZCUNF-UHFFFAOYSA-N 423.310 0.539 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2(S(C)(=O)=O)CCOCC2)C1 816099653 YZPQMTBVLHQSKY-OLZOCXBDSA-N 401.485 0.455 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCN(O)C3=O)c2)C[C@@H](C)O1 816755043 RSOQWXWSACVNIU-ZENOOKHLSA-N 411.480 0.595 30 20 HCED O=C(N[C@@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 816755552 CQHVZGXURHNQNU-GFCCVEGCSA-N 416.887 0.632 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn(C)c3-n3cccc3)CC2)o1 915384855 DFWBCGAQYAIOQG-UHFFFAOYSA-N 423.433 0.885 30 20 HCED CS(=O)(=O)c1ccc(F)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 917368898 AEYFPFHXPCOTAJ-UHFFFAOYSA-N 411.436 0.906 30 20 HCED Cc1cccc(C(=O)NCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 918384519 LHLUYSVXIGMCLB-UHFFFAOYSA-N 414.487 0.970 30 20 HCED C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1nnnn1-c1ccc(OC(F)F)cc1 919649721 BKLBMEHKSIGXFP-SNVBAGLBSA-N 401.395 0.869 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC#N)CCC#N)c1 926125132 KSZAOQIXWBDJGC-UHFFFAOYSA-N 408.436 0.681 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CO)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1080927960 UTXYFSBJDDNWRN-IZGRHMBUSA-N 404.507 0.861 30 20 HCED C=CC[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)OCC 1254730443 SVLQOGAFLSMLQD-VIFPVBQESA-N 412.244 0.517 30 20 HCED CCNC(=O)C(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1296251380 OUCYSJSDSZAQMY-YWZLYKJASA-N 420.514 0.821 30 20 HCED COCCN(C[C@H](O)C(F)(F)F)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1306868203 VOLOIDYBADVWAO-ZDUSSCGKSA-N 409.386 0.235 30 20 HCED COc1ccc(S(=O)(=O)CCC(=O)N(CCC#N)CCN2CCOCC2)cc1 1318242022 DWBDLBDCXIBETF-UHFFFAOYSA-N 409.508 0.933 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1318555307 PCDSWXPNEWSNQL-VLGSPTGOSA-N 407.448 0.363 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC(O)(CN4CCOCC4)CC3)CC2=O)cc1 1323757889 UDHFJHDNIVGGNY-GOSISDBHSA-N 412.490 0.597 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 1460710168 ZGMVOIKUNWNZLU-LJQANCHMSA-N 418.586 0.485 30 20 HCED CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1=O 1471033591 ZBBSQBPGYHERCD-GJZGRUSLSA-N 415.498 0.389 30 20 HCED COc1cc(C)c(CN2CCN(C(=O)Cn3cnc(C#N)cc3=O)CC2)cc1OC 1473049709 LZSYVNGKFIVUHI-UHFFFAOYSA-N 411.462 0.785 30 20 HCED C[S@](=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1555821392 JWOQRQJQZUKSOC-LJAQVGFWSA-N 414.491 0.576 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620162890 YOCZTCYXQMDGFM-OAHLLOKOSA-N 403.512 0.884 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1nccn1C)C(C)(C)CO 1627655473 JJDWOIQOKDYWHT-CJNGLKHVSA-N 419.507 0.835 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCN(CC(N)=O)C3)CC2=O)cc1Cl 1628385920 IKWXORMPPBADHY-ZIAGYGMSSA-N 403.870 0.630 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)n1 1693433935 ZLBGAOQDDRQLJT-INIZCTEOSA-N 412.498 0.914 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCSCC1 1723912201 JGUNELJRDFOISS-KGLIPLIRSA-N 415.589 0.675 30 20 HCED Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)c1cc[nH]n1 1726403269 NUAFWDHBSFDJDL-UHFFFAOYSA-N 406.454 0.333 30 20 HCED C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C 1761423489 NVWWQCCJUQNUOO-OAHLLOKOSA-N 418.523 0.914 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cnn(CCOC)c1 1767943435 VWCXAIICLTXAKA-SFHVURJKSA-N 414.514 0.882 30 20 HCED CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1768115638 PHUAPJOMQCZBBN-RRFJBIMHSA-N 411.528 0.970 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCn2cc(CO)nn2)c1 1771532058 NWWGGMFKQLEGAA-UHFFFAOYSA-N 421.465 0.317 30 20 HCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)C2)C1 1778274813 HLDAOOIFOHWLMF-KNQAVFIVSA-N 412.490 0.631 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4ncccn4n3)C2)C1 1778465542 OEFXTIBSTTYVJU-FOIQADDNSA-N 414.466 0.974 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1)n1cncn1 1779020547 PWEOUIGJRZTAOK-VSWNAAFFSA-N 403.487 0.141 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1779392847 DJKORCZJICWUFY-KKHYBRAUSA-N 401.467 0.328 30 20 HCED CC[C@H](O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779396143 PMOQYEZQJKCGKJ-WAOWUJCRSA-N 406.523 0.970 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 1779619231 NGEQURINDPGMCH-NGXITPROSA-N 415.494 0.284 30 20 HCED CNC(=S)NCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781396391 LZQZZYKASOHNIM-KDOFPFPSSA-N 413.544 0.101 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)c4cc(CO)on4)CCO3)C2)c1 1781966734 YFZLVKAHIDTWBK-HXUWFJFHSA-N 414.393 0.935 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCCCC2=O)C1 1782100680 QQLNXQZDOWNQES-JBYIUTFZSA-N 419.522 0.551 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CC(C)=O)C[C@@H]21 1783532798 HNVBPWIRZGJSGK-SMSCMFASSA-N 405.495 0.440 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784339481 GXIVLFFOPHAEMV-RCTBGBINSA-N 420.470 0.027 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccnc3C(N)=O)[C@H]2C1 1785517365 QMTBZTOMKSNVBD-OHFALNGGSA-N 416.478 0.365 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787436513 CXAMJBAKEIWISA-RFGFWPKPSA-N 419.425 0.877 30 20 HCED Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788677007 IGLLKLOYWGFLJM-RMFFEMKYSA-N 400.439 0.121 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(=O)Nc3cccnc3)[C@H]2C1 1788712920 DVYYHYLOTHKHJI-LAQRGFTBSA-N 414.462 0.038 30 20 HCED COc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)O)C[C@@H]32)c(C#N)c1 1789843453 LPQWLMZGAMMCNJ-BMIPRAEKSA-N 401.463 0.470 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3O)C[C@@H]21 1789890766 NHIMZENLLZQTDN-BPUTZDHNSA-N 418.450 0.285 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)ON=C(C)C)[C@H]2C1 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FGFSDDYGWDUCCQ-FQEVSTJZSA-N 403.483 0.318 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840490920 OFVPDQXVYWPZBE-QRWLVFNGSA-N 401.467 0.513 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c1 1841892909 GTHOFJBYAQBKGS-CQSZACIVSA-N 409.446 0.682 30 20 HCED O=C1NC(=O)[C@H](CC(=O)N2CCCC23CN(C(=O)C#Cc2ccc(Cl)cc2)C3)N1 1841957719 FKNAVOQLMOWMGR-HNNXBMFYSA-N 414.849 0.493 30 20 HCED C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 26373299 TZDCUJMGYARVMF-CYBMUJFWSA-N 410.452 0.048 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2F)cc1 27431934 KXGJESADOZRIJB-UHFFFAOYSA-N 405.407 0.835 30 20 HCED N#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 46040342 DAMSWIRBUMBRIN-UHFFFAOYSA-N 417.447 0.466 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C2CCN(C(C)C)CC2)CC1 409477686 JYMOLKPYVYFFQD-UHFFFAOYSA-N 401.577 0.584 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 409514673 BLSYFIJWLONTFK-CJNGLKHVSA-N 413.931 0.820 30 20 HCED CN(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409559914 YUQQUPSCYBRJNB-KRWDZBQOSA-N 407.496 0.325 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 409585619 PSGOVTZPEZBQSD-UHFFFAOYSA-N 424.932 0.315 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CSC[C@H]1C(=O)N1CCSCC1 409587904 SGJRJGRWCWWCKL-ZDUSSCGKSA-N 408.571 0.044 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nn1CCC#N 427403167 HELQWMASJNLCHG-OAHLLOKOSA-N 401.471 0.648 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 428916477 MXMUSMFOVNBAOP-UHFFFAOYSA-N 414.447 0.594 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 430373551 ITSPBGKJYXMZSS-PKOBYXMFSA-N 406.527 0.241 30 20 HCED CN(CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 434274942 NPOMVXIQBPWJMV-AQFXKWCLSA-N 406.508 0.878 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCO[C@@H](C#N)C3)CC2)cc1 436137278 YCGVXQOQHJAOTF-SJORKVTESA-N 406.508 0.441 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)n1 437171106 JIOKAMCNURGZMC-UHFFFAOYSA-N 416.463 1.453 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437383702 IALDJQMMDKQSIL-MRXNPFEDSA-N 415.494 0.695 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 438447531 IDHINAGFRNREFY-ZACQAIPSSA-N 401.529 0.804 30 20 HCED CC(=O)NCCNC(=O)CCC(=O)NC1CCC(Oc2ncccc2C#N)CC1 438614340 VFOLCDZVNKQNFC-UHFFFAOYSA-N 401.467 0.792 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 438756156 REGHAXXSPSAROL-UHFFFAOYSA-N 411.441 1.516 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 442266423 LSLVQOCLNCDTHA-UHFFFAOYSA-N 406.508 0.932 30 20 HCED Cc1nc(=NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)n(-c2ccc(C#N)cc2)[nH]1 443422963 BDBWPEXXGNFHJH-UHFFFAOYSA-N 408.443 0.956 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1N 446520704 YRQALLHDCHJFBT-USJZOSNVSA-N 416.441 0.863 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCCN1CCOCC1 460617648 IIKFAMUKBNRCGI-UHFFFAOYSA-N 411.466 0.615 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)cn1 460718626 SLDYBMWQFCENKY-OAHLLOKOSA-N 409.450 0.258 30 20 HCED N#Cc1ccc(OC2CN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)C2)cc1 461739426 XSOIDTXXCKFXEO-GJZGRUSLSA-N 403.460 0.183 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccnc1-n1cccn1 465415549 IPRFRWSPTCMKLE-CQSZACIVSA-N 417.433 0.605 30 20 HCED C[C@@H]1OCC[C@@]12CN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C[C@@H](C)O2 468549320 UQYPHECLFBRKEQ-ZRGWGRIASA-N 407.492 0.974 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(CC)o2)c1=O 471200709 XRLRNYOYXVTXPH-UHFFFAOYSA-N 401.488 0.907 30 20 HCED Cc1ccc(NC(=O)CN2CCOC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 471226152 BYZYMYRBZAUYKU-INIZCTEOSA-N 408.480 0.179 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(C#N)CCOCC2)c1 472062635 AQBQFNZEYNUUPX-UHFFFAOYSA-N 422.507 0.636 30 20 HCED COc1ccc(C(=O)O)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472351781 UJCHDTLVEGSWEU-UHFFFAOYSA-N 419.463 0.818 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2nc3ccc(OC)cc3s2)c(=O)n1C 473425420 DNERTLBWIJBIMG-UHFFFAOYSA-N 412.496 0.870 30 20 HCED C[C@@H]1N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOC1(C)C 476994527 VEOPXHOSDASKPY-INIZCTEOSA-N 420.535 0.890 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCSC 478851422 HGGUREXWKVNOLP-UHFFFAOYSA-N 417.560 0.855 30 20 HCED C[C@](O)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CN1CCOCC1 480481168 IODPVCVCGCTCMX-IBGZPJMESA-N 409.508 0.577 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 481260435 UFFCLYSASHFPMY-BLLLJJGKSA-N 422.532 0.747 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1 481436625 NOWXEYAVIOUUEA-DOMZBBRYSA-N 411.505 0.403 30 20 HCED C=CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)nc1 481841385 KQRVOEUJONBQCY-UHFFFAOYSA-N 404.496 0.550 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 484580837 FWXMYYXWSSVVHH-TZMCWYRMSA-N 410.496 0.720 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 484635052 SAZVQRFATRMEEE-UHFFFAOYSA-N 413.496 0.935 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 497491762 FMKNCOOUXCPMBW-UHFFFAOYSA-N 406.508 0.187 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CCN1Cc1ccccc1 502239765 ZRQARIJFKVUHBR-CEXWTWQISA-N 409.490 0.493 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 506199643 QPHOAAXLPUFIHN-UHFFFAOYSA-N 410.883 0.667 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)c1C 506489587 VDUBKDFZEDEQJF-ZDUSSCGKSA-N 400.414 0.890 30 20 HCED C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508492349 WAYIRNCUNYAXAI-OAHLLOKOSA-N 405.462 0.683 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 511426779 FYXPUZKTHMXWEC-UHFFFAOYSA-N 401.202 0.799 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)NCCSCc2ccccc2C#N)cn1C 511717653 ZPGFQPKELBKEGI-UHFFFAOYSA-N 407.521 0.928 30 20 HCED CNC(=O)CN1CCC(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513992318 PMXJKOVCIHZARZ-QKKBWIMNSA-N 410.478 0.252 30 20 HCED N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCC1 515021174 XPFMWORMDGNJJO-UHFFFAOYSA-N 402.454 0.486 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C1CCN(C)CC1 516832626 PQCFESBYNOLLFA-UHFFFAOYSA-N 400.479 0.565 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 521616783 PNGNKMRVXPFHBQ-UHFFFAOYSA-N 402.432 0.393 30 20 HCED CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)S1(=O)=O 553804794 NXSXKNGDIPROQV-UMVBOHGHSA-N 413.521 0.649 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCCS(=O)(=O)C3)C2=O)cc1 557998470 WTJBDVXZXSCORL-DLBZAZTESA-N 404.492 0.783 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3cc(C(N)=O)no3)C2)c(F)c1 558041097 KVLBOXHPJKAKHT-GFCCVEGCSA-N 414.397 0.186 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)cc1Br 563500102 COLNGKLJYFLCLN-QPUJVOFHSA-N 416.253 0.660 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2C(=O)N2CCSCC2)c1 564467628 JEWHIPNLJIPZIZ-MRXNPFEDSA-N 422.532 0.403 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)CC2 569465230 NGZNZMZZWCIOGL-RTBURBONSA-N 421.505 0.502 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 588291120 AMUDRDGGRVMDDK-GXTWGEPZSA-N 414.509 0.918 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C(=O)OC)c(C)o2)c(=O)n1C1CC1 591000127 DLYCEQRCKUMSBZ-UHFFFAOYSA-N 413.455 0.738 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603592529 YABZEQLPFSQREB-UHFFFAOYSA-N 420.451 0.834 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 604483031 TZXSIOGBXJALEL-OAHLLOKOSA-N 402.480 0.696 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cn1 610187389 NRAOJNCVKSWPIE-UHFFFAOYSA-N 424.465 0.748 30 20 HCED Cn1cc(C#N)c(NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)n1 610565600 ZVEYZBSMLKVKST-UHFFFAOYSA-N 416.463 0.685 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1)c1nn[nH]n1 610859247 YLHVQNCQWFRXCA-LRDDRELGSA-N 411.447 0.644 30 20 HCED Cc1nc(=NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n(-c2ccc(C#N)cc2)[nH]1 611029253 PZYBXENZBFNPBS-UHFFFAOYSA-N 418.460 0.318 30 20 HCED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCN(CCC#N)CC1 619649212 QRVVZVGDRKKOJY-UHFFFAOYSA-N 414.553 0.242 30 20 HCED CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1 726112669 GFWFKSZMJIEALO-GYKMOOBXSA-N 405.524 0.929 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)c2ccccc2O1 727947051 CQQHZWPHGOKCRF-GOSISDBHSA-N 408.414 0.745 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 728105782 PJPYVWGKIADLBK-UHFFFAOYSA-N 410.452 0.935 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 728534543 MLNZGIPVXSAZOH-GOSISDBHSA-N 411.506 0.824 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](NC(=O)c2cccs2)C(C)C)CC1 729256843 JSVZBIAYNFSPHZ-SFHVURJKSA-N 404.536 0.786 30 20 HCED C=CCOCC(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 729763568 QQBCRXQCSLHYBV-MRXNPFEDSA-N 410.492 0.962 30 20 HCED CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1 730573828 QJKDDFIGRZFCQA-UHFFFAOYSA-N 415.537 0.766 30 20 HCED CCOCCOc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731851035 DGTVIANYMNMAHK-ISLYRVAYSA-N 409.464 0.907 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731862009 WNTGKXFYZMOHFE-FBMGVBCBSA-N 404.448 0.407 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CC)c2)c1=O 732561865 VGEMPIMJAJXXGU-UHFFFAOYSA-N 409.471 0.725 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](NC(C)=O)c2c(F)cccc2F)CC1 733149337 FWZSRLOQTYANDD-SFHVURJKSA-N 420.460 0.816 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 735771763 IRHUXDJJHDEEDW-OAHLLOKOSA-N 424.479 0.597 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 741243454 XZQOIVSWIZQBCO-IAGOWNOFSA-N 421.519 0.894 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742491389 LVDIRVGRDSBSGC-HZPDHXFCSA-N 422.551 0.977 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1=O 748561679 QQZGMTMFISHGGR-UHFFFAOYSA-N 400.435 0.711 30 20 HCED C#CCNC(=O)COC(=O)c1cc(I)ccc1-n1cnnn1 749419606 AZUXLXAWUAPZDM-UHFFFAOYSA-N 411.159 0.173 30 20 HCED Cc1nonc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749742743 UYJDMFVYPLOBLL-PXLXIMEGSA-N 420.451 0.446 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OC[C@@H]3CCCO3)CC2)c1=O 751599485 RFDHHCAGIWATDL-KRWDZBQOSA-N 406.483 0.161 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753754875 HILCSFLRFKDBLN-CYBMUJFWSA-N 415.537 0.785 30 20 HCED CC(C)OCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 755476326 XHCSDPYQWYUNOW-PGMHBOJBSA-N 410.496 0.979 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 756312248 ZLAJIMOAMHYGJG-CHWSQXEVSA-N 405.459 0.852 30 20 HCED CCOC(=O)N1CCC(NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)CC1 757419364 SRAAJOZAXVHQDV-OAHLLOKOSA-N 415.498 0.596 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2cnn(C)c2)c1=O 758049513 FWGXHGRODDBSOW-WMLDXEAASA-N 409.515 0.474 30 20 HCED O=C1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2CCCC[C@H]2N1 758776450 XFOVPHMASMUKKX-HUUCEWRRSA-N 404.492 0.775 30 20 HCED C[C@@H](O)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 762583605 RLYSVIKKVJYVCW-MMOSJZJFSA-N 410.496 0.667 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762941672 TZHBCLZYKBLOLN-KZULUSFZSA-N 424.479 0.050 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)c1 769429911 ZXCMZDCVECOVJY-UHFFFAOYSA-N 413.503 0.967 30 20 HCED O=C(CNC(=O)c1ccc(Br)cc1)NCCN/C(O)=C1\N=CC=CC1=O 771344660 RCWNERRQNFDMOJ-BMRADRMJSA-N 421.251 0.822 30 20 HCED COc1ccccc1N1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 771897435 MVDRAMZUOFVUTQ-UHFFFAOYSA-N 421.479 0.027 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C2=O)cc1 776118652 UKUUTNLBBVLHFC-KRWDZBQOSA-N 408.436 0.212 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(CCN2CCNC(=O)C2)C1=O 781102720 JXQDLWCMGIEVBS-MRXNPFEDSA-N 417.535 0.803 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)[C@H]2CCCOC2)cc1 781375862 SHIIHDGUPFPITO-RDJZCZTQSA-N 408.476 0.686 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(Cl)cs2)c1=O 782794391 YQVNBUKZPDQZTQ-UHFFFAOYSA-N 421.931 0.914 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 784202418 OIYBDPKAMMWKEZ-CYBMUJFWSA-N 403.395 0.986 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)O[C@@H]2CCCN(c3ccc(F)cc3C#N)C2)CC1 789472954 CICWOPOTFYMJEQ-QGZVFWFLSA-N 424.498 0.787 30 20 HCED C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789737600 PZPGBXZMAOSECK-ZNZSVTJWSA-N 416.525 0.718 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 792320509 DENQJTSXIZOJBI-SXGZJXTBSA-N 404.467 0.783 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 804558863 RMSPWSMLHLCETR-AUUYWEPGSA-N 418.475 0.191 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CSCCS3)C2=O)cc1 806470642 ZSIDYQHJNISBHY-HZPDHXFCSA-N 418.544 0.740 30 20 HCED CC1CCC2(CC1)OC[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)O2 806704917 UNCSSYFZJBZWBJ-CZDRUDQFSA-N 401.467 0.919 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)ccnc1-2 806844223 XCVDVVYCKOGWBY-UHFFFAOYSA-N 403.446 0.496 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCCO1 808611655 HRECBXOFQOINON-JYJNAYRXSA-N 407.829 0.998 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnc(C(F)(F)F)cc1C)[C@H]1CCS(=O)(=O)C1 810393891 ULLBIKYLPMLUNQ-NSHDSACASA-N 403.382 0.996 30 20 HCED CC(=O)N1CCN(S(=O)(=O)NC(=O)CCCCOc2cccc(C#N)c2)CC1 813943983 JFUUYBKLVLGILV-UHFFFAOYSA-N 408.480 0.632 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1cccc(Br)c1 856156131 NXUWLVPFVOHGQB-LLVKDONJSA-N 417.281 0.799 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 918287803 UKUWNKGOAJYMJK-HEHNFIMWSA-N 421.523 0.602 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 919542884 YNYAFMMUBITXMU-JTQLQIEISA-N 421.431 0.551 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 920201166 ZYYRMMFJGXTQQF-GASCZTMLSA-N 407.492 0.905 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1ncn(C)c1=O 997942854 JPBYNHWIVBDXAE-IMPIEMTGSA-N 403.483 0.201 30 20 HCED C#CCOCCC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1065708601 GABQOSUYGYBUQI-SIFVSHMBSA-N 401.507 0.195 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(CNC(=O)C(F)(F)F)C1 1152851705 SGVCMVOJOXNYAT-SNVBAGLBSA-N 418.397 0.362 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@](O)(CC#N)C2)c1 1163162348 GGOCBXNFNRITLU-LJQANCHMSA-N 422.507 0.324 30 20 HCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CCO1 1286941381 JPVFSCZVABYKPJ-GOSISDBHSA-N 421.465 0.335 30 20 HCED CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(O)CCC1 1297272095 MBHPORKKSPIXDR-UHFFFAOYSA-N 414.514 0.970 30 20 HCED CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N2CCOCC2)CC1 1303941005 KMSPMXODRXXEBX-UHFFFAOYSA-N 415.498 0.503 30 20 HCED CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1313857291 LRYIVQNDYNEZGX-KBXCAEBGSA-N 418.527 0.970 30 20 HCED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 1341067691 RZLHGEOAUNRQBV-UHFFFAOYSA-N 420.491 0.773 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359151640 YCBYUZUNUVMARL-XQQFMLRXSA-N 415.903 0.867 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@@H](c2ccnn2C)C1 1449710512 XVCBSXDPBKLELP-JCKWVBRZSA-N 417.491 0.995 30 20 HCED CCN(C[C@H](O)COc1ccc(CCOC)cc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1458392751 LBDYISVSDZYGQX-HNNXBMFYSA-N 402.451 0.400 30 20 HCED COC(=O)N1CC(C)(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1471886269 JHMAWRNCSOMLAD-UHFFFAOYSA-N 420.491 0.916 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCN1CCOC[C@H]1C 1504886508 JQGVFHGROKZIBT-MRXNPFEDSA-N 400.487 0.822 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1614080998 VMWCPYGKZMDDAL-INIZCTEOSA-N 421.465 0.620 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1712885063 YEMIIDOMXHNOOC-HZPDHXFCSA-N 402.480 0.427 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1729620239 MIOFBADNDDMSBH-BTYIYWSLSA-N 411.510 0.702 30 20 HCED COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1771069643 ZHUJTQKBWYPBPS-UHFFFAOYSA-N 404.496 0.935 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2nc[nH]n2)C1 1777775431 XXDJNLDFXNDDJY-AUUYWEPGSA-N 405.455 0.442 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779067682 XAVKVUIADMOHKZ-QFIPXVFZSA-N 414.506 0.720 30 20 HCED CC(C)(C)c1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)[nH]n1 1779729079 VWJUPKHECUXFQR-IIBYNOLFSA-N 416.478 0.923 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c(C#N)c1 1781173849 FRIZTCBKMIKMBJ-QFIPXVFZSA-N 423.473 0.987 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccn2C)CCO3)c(C#N)c1 1781174157 MUQRCROYLFXKQG-JOCHJYFZSA-N 423.473 0.987 30 20 HCED NC(=O)CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2 1781770509 DQAGTQXDLXIVSK-DYESRHJHSA-N 419.522 0.464 30 20 HCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1782152143 QDGRHFNODZDRNK-IBGZPJMESA-N 423.466 0.976 30 20 HCED O=C1C[C@H](C(=O)N2CC[C@@]3(CN(C(=O)/C=C/C(=O)c4cccs4)CCO3)C2)CN1 1783161268 OSMVVZGECRMUCX-JBNOMKJRSA-N 417.487 0.453 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncc(C)s3)C[C@@H]21 1783530111 GLECNEDQXNGAOP-PVPAMPSESA-N 418.519 0.903 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccc(Cl)c(F)c1)CCO2 1783557253 DOMJEMDHDDKHAA-IBGZPJMESA-N 424.812 0.776 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644550 GVJBQTVYGPOJRR-RVHYNSKXSA-N 421.494 0.210 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783755578 DPNQGJNHKPMQMY-HRAATJIYSA-N 407.511 0.402 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)S)C3)C2)cn2[nH]cnc(=O)c12 1783899690 VWZXNROKULAMHB-KZULUSFZSA-N 405.480 0.093 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)CCO2 1783914223 RWPAYCNAUQMQNE-MGPUTAFESA-N 411.499 0.668 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(N3CCOCC3)cn1)CCO2 1783916702 ISSRMGOKTZEWEJ-OAQYLSRUSA-N 400.479 0.938 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](S)C(C)C)[C@H]2C1 1784536077 KVASDILODJWUDY-KSWRQPAISA-N 415.556 0.072 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Oc3cccnc3)C2)C1 1784538404 IIILBKGPPIKFNF-LLGFUMIMSA-N 401.463 0.717 30 20 HCED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784596578 JWQKYUZYPQOVGZ-NCFLKCGXSA-N 424.498 0.007 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1ccc(C2(NC(=O)COCCO)CCC2)cc1 1785839916 ZLXITERLYYJGDV-HJWRWDBZSA-N 401.463 0.988 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csc(N)n3)[C@H]2C1 1786914219 ULGMHDGDCOLNIU-JURCDPSOSA-N 408.524 0.892 30 20 HCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc4cc(C)nn4c3C)[C@H]2C1 1787914392 JKSZZCNFMQQTQW-ULQDDVLXSA-N 410.478 0.748 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccccc1C#N)C2 1793403121 ZVAQQAYNEBFIOG-XUNHBOFMSA-N 415.490 0.934 30 20 HCED O=C(COc1cccnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793937322 VYIGXAZNPUSKPM-NFDRMNTRSA-N 412.446 0.762 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C(=O)O)ncn1 1794368472 MBRIJWZRSMHKII-NFFDBFGFSA-N 419.438 0.179 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnccc1N(C)C 1794471407 PVKNRTAGMRYBER-OAFZBRQQSA-N 402.495 0.942 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(F)(F)F 1795396229 LLVQHWOAMXQLAL-CYLMYCJOSA-N 403.401 0.777 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795680618 SFCSSRWWOSEZJM-AXVVYFOYSA-N 404.536 0.980 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCOCC1 1795904753 CQOPKONIOHQJAJ-WEBAYUOYSA-N 404.511 0.205 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2 1797706776 PERRLTBUCHNNCO-HLPPOEQASA-N 408.886 0.906 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1[C@H]2Sc3ccccc3[C@@H]21 1797770478 KLOLUZMMUFGWSX-AKEFEOATSA-N 412.467 0.552 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797783458 SPOUSMIAAJHRAK-PHXBYCTMSA-N 419.522 0.141 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)Nc1cccnc1 1797889233 BJBAEBKJAHQUPB-PNBKFKSVSA-N 417.466 0.411 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](C)N1C[C@H]2C[C@@H]2C1 1798315083 VQNYWDKLFMHMRU-PTMMLJFWSA-N 400.523 0.823 30 20 HCED Cn1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)cccc1=O 1799746441 KAAGKCWXDJNALR-YVWYUNDQSA-N 424.432 0.913 30 20 HCED C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2)N1CCN(C)CC1 1799967334 DFZLJBCXZMSXJE-AXIVATBESA-N 418.586 0.732 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1801399888 JLZKYOFUSFZTDO-JNNRSPCRSA-N 409.446 0.952 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ncnn2C)C3)c1 1801760556 MIDPZKTXJCIIKJ-RUGDWHBFSA-N 408.462 0.959 30 20 HCED COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)cc1NC(C)=O 1801988631 LCQFQWYOSLWCJA-MUJYYYPQSA-N 413.430 0.993 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CCOCCOCCOC 1802082469 CKEVPQGABILHEC-AKHDSKFASA-N 410.511 0.733 30 20 HCED C#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](CC#C)NC(=O)OC(C)(C)C 1802127193 RHQHBNFCEIQDNU-ZMMAXQRCSA-N 417.506 0.906 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)CCNC(C)=O)[C@@H]1c1cccnc1 1803552074 DTZUJNAXCGOZBN-MOXGXCLJSA-N 400.479 0.652 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)[C@H](C)S)[C@H]1c1cccnc1 1813040413 PHLAYRZYCOLIMQ-NKKGCODLSA-N 408.524 0.557 30 20 HCED Cc1cn(CC(=O)NC[C@@H]2CCN(C(=O)CCC#N)[C@H]2c2cccnc2)c(=O)nc1O 1814038007 UYATYEVRNVPHDA-LPHOPBHVSA-N 424.461 0.662 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)CNC(N)=O)[C@@H]1c1cccnc1 1814225977 HLTVGGTZVMMQEL-ZOBUZTSGSA-N 403.483 0.329 30 20 HCED C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc(CS(C)(=O)=O)nc3)sc2C1 1816097820 YCPISMWUEBOBHO-LBPRGKRZSA-N 418.500 0.942 30 20 HCED C[C@@H](S)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2nccnc2C(N)=O)n[nH]1 1820025812 CHAIHUUJXFZNLP-MWLCHTKSSA-N 403.468 0.923 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822197073 JDKBYPSWOXSKNO-AWEZNQCLSA-N 403.439 0.652 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CCS(C)(=O)=O)n[nH]1 1822967243 JVVCVWMNIBNPCQ-HIFRSBDPSA-N 410.496 0.875 30 20 HCED NC(=O)NCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1823541168 XTMJYCRSJJLVOF-IEEVUCOHSA-N 401.427 0.782 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)CN)CCN2C(=O)OCc1ccccc1 1828950266 HIGZPDYRNITITO-VGSWGCGISA-N 412.490 0.667 30 20 HCED CN(C)CC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1830467332 YWZHQVPXKSOUIJ-NRFANRHFSA-N 419.909 0.710 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cccc(C)n3)CCO2)C1 1830912399 GXXVDOCDANCHOL-PGRDOPGGSA-N 417.506 0.980 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216653 XGNPDDBDNGDOBR-IIBYNOLFSA-N 405.495 0.161 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCOCC=C)CCO2)C1 1831404765 WNHIKLNFSWHCDB-NQIIRXRSSA-N 408.495 0.464 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1831437716 GXIRBIQSKROYFR-OXJNMPFZSA-N 407.467 0.573 30 20 HCED Cn1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)n1 1833883269 RVZMQUJMOCZNAC-NRFANRHFSA-N 424.461 0.265 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cncs2)CCO3)c1 1834467908 CATFWEUAKSOKQT-GOSISDBHSA-N 401.448 0.727 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834477426 NBWPOXWDGVDFAL-LAUBAEHRSA-N 421.469 0.864 30 20 HCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834759942 CCACJBZEBICDRH-HXUWFJFHSA-N 422.482 0.223 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)NC(=O)CO4)C2)C1 1834761332 YBWFRHQJYHWGGW-FQEVSTJZSA-N 414.418 0.001 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3nc(C)no3)CC2)CC1 1834849137 NOQYBBKTAJGELH-OAHLLOKOSA-N 417.510 0.530 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ccnn5c4)C3)C2)CC1 1835346452 BQBLRTGSOJBVTA-OAQYLSRUSA-N 409.446 0.708 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO3)C1 1837214705 XCXXIPGYPPTTCR-RXVVDRJESA-N 408.495 0.997 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837393662 YOARSDYWZOXVQX-RZQQEMMASA-N 414.568 0.970 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837399400 SHUZWUWEYULOIQ-IERDGZPVSA-N 421.469 0.864 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837404921 DDHIKDBSJNYRIQ-IERDGZPVSA-N 405.495 0.710 30 20 HCED Cc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)nn1C 1837455089 ZWEJHSWWPSMIIY-UHFFFAOYSA-N 402.451 0.429 30 20 HCED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)CC1 1837526893 HFMUBMUGMYRMQH-DWFIAKGDSA-N 409.483 0.772 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)Cn4nccn4)CC3)CC2)c1 1838548726 AHANWQSXYQUQGU-UHFFFAOYSA-N 411.466 0.790 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=C)CC(=O)OCC)CCO3)C2)C1 1839171597 ALYYNDYHSVSUCZ-OAQYLSRUSA-N 406.479 0.918 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839171853 GUXRWQVJIFPUQG-HXUWFJFHSA-N 407.467 0.502 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1839174018 ANZMXORCUWRIIC-IBGZPJMESA-N 423.491 0.723 30 20 HCED CCC(=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421692 FTMJMURLEUDOQB-HXUWFJFHSA-N 403.410 0.746 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839537534 NMTSXXOPDJKKRT-OAQYLSRUSA-N 411.462 0.954 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839639037 GXUOLGPBINANCT-AUSIDOKSSA-N 413.518 0.835 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(OCC(C)C)c3)C2)C1 1839808085 KCLJHVJQXIGXAZ-OAQYLSRUSA-N 401.463 0.820 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(COC)CC3)C2)C1)C(F)(F)F 1839891538 KMHIFMZLDAZNAI-KRWDZBQOSA-N 406.401 0.988 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cccc3C=O)C2)C1 1840160010 ULLXHOSPBZDLFR-DOXZYTNZSA-N 409.508 0.636 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840161974 HUWLMYDWEWJLPC-SGTLLEGYSA-N 409.464 0.199 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)OC(C)(C)C)C2)C1 1840176214 BFCUQARYRKBNQP-HXUWFJFHSA-N 411.499 0.934 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cccn3)CCO2)C1 1840443158 XXIRJXMEMLJHMK-QKLQHJQFSA-N 421.498 0.701 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccc(OC)cc3)C2)C1 1840840857 QBDQKXYYKQQJMW-RBBKRZOGSA-N 416.474 0.598 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)OC(C)(C)C)C1 1841209971 RHIQPSWYXCFMSV-CDNLZTBQSA-N 420.510 0.961 30 20 HCED CC(C)(C)OC(=O)N1CC(F)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1847131733 FXQIYVQFHFFNNV-UHFFFAOYSA-N 409.414 0.237 30 20 HCED C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 48186126 BCFYTHCIXLJVAO-AWEZNQCLSA-N 416.459 0.803 30 20 HCED CN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 56088725 AVYUZNQSNDNYCR-OAHLLOKOSA-N 416.525 0.324 30 20 HCED N#Cc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 116452964 ZNLAZHOXHUBDRK-UHFFFAOYSA-N 413.503 0.764 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 431496606 VCHUAUSGPQMTLN-UHFFFAOYSA-N 408.480 0.316 30 20 HCED COCCCS(=O)(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 431768864 NAAUMXXLPOPIGD-OAHLLOKOSA-N 412.537 0.709 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)n2)c(Cl)c1 435228783 YCZUWRMHTNSRHL-GFCCVEGCSA-N 400.826 1.121 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1C#N 435484171 OMJCDNZNMBDOGF-UHFFFAOYSA-N 408.480 0.778 30 20 HCED COCCNS(=O)(=O)c1cccc(CNC(=O)Nc2ccn(CCC#N)n2)c1 438331533 ODMJDGNQUGGTQR-UHFFFAOYSA-N 406.468 1.043 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)o2)c1=O 440393617 XAVHYXBDSGAPTH-HNNXBMFYSA-N 410.455 0.359 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)NC[C@H]1CCS(=O)(=O)C1 443074077 SETDOCBVRGWGMW-GHMZBOCLSA-N 419.912 0.429 30 20 HCED COc1ccc(S(=O)(=O)Nc2nn(C)cc2C#N)cc1[C@@]1(C)NC(=O)NC1=O 443418245 RZKLDGAHNCIDSZ-MRXNPFEDSA-N 404.408 0.156 30 20 HCED CCCc1c(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cnn1-c1cccc(C#N)c1 443692697 XNCBGLDFQOVTBV-INIZCTEOSA-N 421.461 0.871 30 20 HCED CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460161029 COVZQMASCRSYOD-STQMWFEESA-N 419.515 0.285 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 460570743 BZZXHTDJIAXFEQ-CABCVRRESA-N 411.466 0.611 30 20 HCED N#C[C@@H]1N(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[C@@]12CCCCO2 468664402 ZFJDSUADVRNWBQ-YJBOKZPZSA-N 406.464 0.726 30 20 HCED Cn1ncc(C(=O)NC[C@@H](Cc2ccccc2)NC(=O)c2cnn(C)c2C#N)c1C#N 475167863 DIEYWLPEBQKLFZ-OAHLLOKOSA-N 416.445 0.668 30 20 HCED Cn1c(Sc2nnc(-c3cnccn3)n2Cc2ccco2)c(C#N)c(=O)n(C)c1=O 481835558 HEEUMSRJVJOHBD-UHFFFAOYSA-N 422.430 0.797 30 20 HCED CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491528463 DRYHFPKNJWOASC-MRXNPFEDSA-N 403.870 0.915 30 20 HCED Cc1nnc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 505242555 MGIVGLSVVINTEL-UHFFFAOYSA-N 421.504 0.768 30 20 HCED Cc1cccn(Cc2c(F)cccc2NC(=O)C(=O)NCCn2cnc(C#N)n2)c1=O 508348921 MGPNMZYALZAOCU-UHFFFAOYSA-N 423.408 0.562 30 20 HCED C=CCn1c(COCC)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 508947365 XCJIWJWTILYPSJ-HNNXBMFYSA-N 401.533 0.877 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1 510144858 HTZYYRHQRMFUNH-ZDUSSCGKSA-N 401.510 0.162 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@H]([C@@H](C)CC)C1 510429427 ZNUYOYUYYTWLKP-HOTGVXAUSA-N 422.530 0.042 30 20 HCED COc1c(S(=O)(=O)NCC(=O)NCC#N)cc(Br)c(C)c1[N+](=O)[O-] 511032379 OWJWGYLXAKFXLJ-UHFFFAOYSA-N 421.229 0.592 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1nnnn1-c1ccccc1 512600892 BCMVONXEXRGGPN-OAHLLOKOSA-N 418.465 0.787 30 20 HCED COCC(=O)N1CCC(NC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 513998072 YRKXRJBFCPQIGX-SZNDQCEHSA-N 411.462 0.679 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCN2C(=O)CNC2=O)cc1 518162808 KBVKXRUITWHTTF-UHFFFAOYSA-N 409.468 0.557 30 20 HCED CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 518675273 RHZWOSNCOLUSPU-UHFFFAOYSA-N 408.480 0.797 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cn1 518818732 PIWKHFQCHZZQRO-CQSZACIVSA-N 420.470 0.494 30 20 HCED CS(=O)(=O)NCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CC1 520620773 NPRLARJBHSQOFV-UHFFFAOYSA-N 402.480 0.696 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3cc4c(cc3s2)OCCO4)C1=O 523385835 WRIAKEAHTOPTJS-UHFFFAOYSA-N 402.388 0.983 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cscn2)c1=O 523732837 GXOLCYAKIDSKEZ-UHFFFAOYSA-N 406.533 0.678 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)Nc2cc(CC#N)ccn2)s1 531669704 FLPLNPYWXCQVGF-UHFFFAOYSA-N 407.477 0.762 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 532314394 XTBGBMMZULVHAP-CABCVRRESA-N 422.511 0.379 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)n(CCC#N)n1 533316065 GVSWXDJFHBCEIA-AWEZNQCLSA-N 404.496 0.610 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 539203455 HADPIDFIMYVQKC-NZBPQXDJSA-N 410.434 0.197 30 20 HCED Cc1noc([C@@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 541650308 CWKKXGGCMUPHSI-CYBMUJFWSA-N 418.479 0.433 30 20 HCED COC(=O)C1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 541974377 FWPAXWMPGJFVCM-ZDUSSCGKSA-N 409.464 0.311 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542082506 CNSVYLBVXOESQZ-ZDUSSCGKSA-N 400.414 0.658 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCn3cc([N+](=O)[O-])cn3)n2)c(F)c1 543001592 STABFAZMBSYBIF-UHFFFAOYSA-N 412.341 0.743 30 20 HCED C[C@@H](Nc1cnn(CC(=O)NCCO)c1)C(=O)Nc1sc2c(c1C#N)CCC2 545122946 NJRMODIKCRAYMC-LLVKDONJSA-N 402.480 0.853 30 20 HCED CCOc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccc1OC 553897147 AFQQWFGZOQOPSI-UHFFFAOYSA-N 414.466 0.978 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCCn2cnc(C#N)n2)cc1 560757293 WVSFBTORMAXTTN-UHFFFAOYSA-N 404.496 0.929 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1=O 561820510 OGHUIOSLJOHODO-APWZRJJASA-N 413.522 0.969 30 20 HCED CCOc1cc(Br)c(F)cc1NC(=O)C(=O)NCC(=O)NCC#N 567432670 CSMJPTBDSNVSFC-UHFFFAOYSA-N 401.192 0.681 30 20 HCED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 571665323 ZJEHJEPTHWXGFE-UHFFFAOYSA-N 422.488 0.109 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCN1CC(C)(C)O 579415112 CIVOWMOXKSZXAH-AWEZNQCLSA-N 411.466 0.381 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CO)C3CCOCC3)n2)c(Cl)c1 582143451 SQTBZRDCOWNRSX-OAHLLOKOSA-N 417.853 1.240 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)N(C)C(=O)C1 583521212 ZEZLOSMWDDVISZ-UHFFFAOYSA-N 410.224 0.925 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 590013914 FCHGZNQWDMYZQX-UHFFFAOYSA-N 400.464 0.361 30 20 HCED CN(CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)S(C)(=O)=O 590215310 TUOQZHMZSWBEAL-UHFFFAOYSA-N 417.285 0.657 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 598160429 QKPXJQXQDVBFHA-UHFFFAOYSA-N 418.541 0.942 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1 603468566 VXEPQOJSDVRPGY-UHFFFAOYSA-N 402.432 0.414 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 609185621 AXXVBSKPAMRHDJ-CYBMUJFWSA-N 416.459 0.989 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1S(=O)(=O)NCC#N 609412623 ZRPJKMDKENRBMB-UHFFFAOYSA-N 419.507 0.771 30 20 HCED N#Cc1c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)nc2n1CCS2 609814425 KLRJLDVSSFXPRZ-UHFFFAOYSA-N 408.443 0.871 30 20 HCED N#CC1(CS(=O)(=O)NC2CCC(NS(=O)(=O)CC3(C#N)CC3)CC2)CC1 611697112 REVHZYBPQCAXJK-UHFFFAOYSA-N 400.526 0.744 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CCO1 619710535 ACBFCHNUVTWYCX-IRXDYDNUSA-N 414.915 0.460 30 20 HCED N#C[C@H](C(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)c1nc2ccccc2s1 730571991 ZXEDDIJZBLZYGE-QWHCGFSZSA-N 407.521 0.978 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCC(=O)NC2=O)cc1 731841650 JQMMEQANIJMSGH-ZHZULCJRSA-N 407.452 0.380 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)Cn2ncn3nccc3c2=O)CC1 732862902 KZXFMSZSINLSCK-BIWSTMPVSA-N 400.439 0.754 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(C(N)=O)C1 733972124 QYWMGAWXXMOINV-JSGCOSHPSA-N 407.496 0.553 30 20 HCED CC[C@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 739122702 QASNXHGHQDLIET-IQQDNESTSA-N 410.496 0.979 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCN2CCCS2(=O)=O)c1 749504917 MGBWJLXEMGHBSZ-UHFFFAOYSA-N 419.503 0.285 30 20 HCED C#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 749849915 JCXFJDLLVGNTOS-UHFFFAOYSA-N 420.354 0.956 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 749850385 LJZUITGKKSQZFM-TZMCWYRMSA-N 403.464 0.525 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 751013379 GPSBIJCYYSLMGX-UHFFFAOYSA-N 416.434 0.748 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1C#N 752393327 FWVNWCFWDDEVET-LLVKDONJSA-N 410.452 0.957 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@@H](CC)CO)CC2)cc1C#N 752402999 AMLFVKGTFQYRKM-INIZCTEOSA-N 417.466 0.980 30 20 HCED CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 755752640 AQPNPCQOTZHCFW-JLTOFOAXSA-N 423.481 0.407 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(-c3ccccn3)c2)c1=O 758078015 XADDWMRIPFKNKX-UHFFFAOYSA-N 400.463 0.854 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)C1 758412553 XQVDXHCFJXALJW-MELADBBJSA-N 415.516 0.469 30 20 HCED C[C@H](O)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 762583604 RLYSVIKKVJYVCW-GJEKEPIOSA-N 410.496 0.667 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)c1 763459390 AEENMYVWNJRMIX-UHFFFAOYSA-N 419.510 0.668 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCC3(CO)COC3)nnc12 763605839 SINPZJUXWARXRQ-UHFFFAOYSA-N 416.459 0.874 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O 767626537 ICHXKKYIGXQNKK-WBMJQRKESA-N 417.447 0.307 30 20 HCED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCO[C@@H](C#N)C2)C1=O 771468495 MMDYWDQANXSPSS-SUMWQHHRSA-N 421.251 0.967 30 20 HCED Cc1cc(Cl)cc2c1OCCC2=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771898176 VVUMHSCKLNIHEK-UHFFFAOYSA-N 412.855 0.511 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)c(Br)cn1)[C@H]1CCS(=O)(=O)C1 773657672 OPEGQTATXJEOLD-NSHDSACASA-N 414.281 0.740 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 774169888 VEUKJMRZKZUULK-OAHLLOKOSA-N 420.429 0.325 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)/N=C1/NS(=O)(=O)c2ccccc21 774832156 JNCZFDPMAOHTIK-VNHYZAJKSA-N 422.507 0.256 30 20 HCED C=CCOc1cccnc1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 775113480 JOTKZDWWGWJPRF-OAHLLOKOSA-N 423.491 0.135 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 776144415 OLJWAHSUBQFWOC-UHFFFAOYSA-N 414.509 0.478 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 777312939 DMUYUKMBQPRKNC-KBPBESRZSA-N 413.496 0.742 30 20 HCED CCn1c(S)nnc1CCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 784596752 NINORMNYPBNXIP-UHFFFAOYSA-N 418.479 0.781 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 785236322 DKZHWRDTJUBXMO-UHFFFAOYSA-N 411.455 0.659 30 20 HCED C#C[C@H](NC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)[C@@H]1CCCO1 786084429 XIQCYZKQHFJOEG-OALUTQOASA-N 412.490 0.503 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 800099908 MVQMWFGBEBZELL-AWEZNQCLSA-N 415.541 0.516 30 20 HCED C#CCN=c1nc(N2C[C@H](C)S(=O)[C@@H](C)C2)[nH]c(N2C[C@H](C)S(=O)[C@@H](C)C2)n1 804647750 BJJXKOVXTKRINC-AJNGGQMLSA-N 424.596 0.030 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1 806219967 REFOGNXYNCSRTD-XQNSMLJCSA-N 416.467 0.784 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 806761342 VLGDBXXFKSIZSM-CQSZACIVSA-N 416.482 0.631 30 20 HCED C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 807405950 CUBJMFBNPFQJMZ-UHFFFAOYSA-N 406.442 0.844 30 20 HCED N#Cc1ccc(S(=O)(=O)CCSc2nnc(SCC(N)=O)s2)nc1 808014210 BKVLRHMPIAVZGX-UHFFFAOYSA-N 401.520 0.948 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1)[C@H]1CCCO1 809305516 FCNOUWLCZBEIIL-PKOBYXMFSA-N 401.438 0.974 30 20 HCED CO[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C1CC1 815852121 IDBNVZFEJGYPQH-MXVUGKIDSA-N 422.507 0.979 30 20 HCED C[C@@H]1COCCN1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 820124553 BODIYOSPGGKGPP-CQSZACIVSA-N 406.508 0.437 30 20 HCED COc1ccc(N[C@@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 836182515 DWLQCFVYGMGTPC-AWEZNQCLSA-N 410.496 0.889 30 20 HCED C=CCOc1ccc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 913359340 HGWZQGPNUOJLCN-QGZVFWFLSA-N 422.503 0.740 30 20 HCED CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 917102325 TYQXMQZUXPFVGP-UKRRQHHQSA-N 417.491 0.915 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCO2)c1 918238704 MGLZOXRMHYQTCH-HDOZFUISSA-N 408.480 0.733 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1CC(=O)N(C)C 918729830 KHWYRVKVSVCNDN-UHFFFAOYSA-N 410.499 0.112 30 20 HCED Cn1cc(CNC(=O)NCCN2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 1226075443 LPEGAHQEPBUMGR-UHFFFAOYSA-N 402.480 0.793 30 20 HCED N#CC1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1229732528 NKTNFOCXQJTGRV-UHFFFAOYSA-N 406.464 0.776 30 20 HCED CC1(C)C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1289006361 SJTGHQZTUISUII-KFWWJZLASA-N 424.527 0.386 30 20 HCED C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC(=O)N1C 1291223710 LUJSIVPIHLPUJR-YCRPNKLZSA-N 409.494 0.550 30 20 HCED N#Cc1cccc(-c2nnc(N3CCSCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1316532134 UDIDSAKYLGVPNS-SFHVURJKSA-N 419.532 0.920 30 20 HCED N#CCC1(O)CN(C(=O)CCc2cccc(CCC(=O)N3CC(O)(CC#N)C3)c2)C1 1322474983 IGOSKBKDUZSHJX-UHFFFAOYSA-N 410.474 0.526 30 20 HCED CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCN(CC(F)(F)F)C1=O 1338958913 JUTVZGHRGGPZAS-ZFEMDRMUSA-N 403.361 0.317 30 20 HCED CC(C)S(=O)(=O)c1cccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 1341803566 AJCASJXBVPIKBT-HNNXBMFYSA-N 412.489 0.448 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359476124 XYXKIRXIRDINKB-KSSFIOAISA-N 404.496 0.409 30 20 HCED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1361264712 RMWCMGRPMGSDJN-KBPBESRZSA-N 421.527 0.682 30 20 HCED N#Cc1ccsc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1467002421 YOHJNLVLYLNZSY-GFCCVEGCSA-N 418.522 0.286 30 20 HCED Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)n1 1511074123 NAQYXRCHEWCAIZ-SCLBCKFNSA-N 404.496 0.794 30 20 HCED CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1516973904 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424.571 0.765 30 20 HCED CCn1cnnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1746364911 YCSXUEXKAYINCL-AWEZNQCLSA-N 418.527 0.970 30 20 HCED CCN(CCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O 1765216478 JTAZFDZGYFDJOK-HNNXBMFYSA-N 421.527 0.684 30 20 HCED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CC1=O 1767521447 LDLVJOGGIZDMSQ-UHFFFAOYSA-N 421.465 0.269 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCOCC1 1768526467 RNJXQNNMVDYLCQ-UHFFFAOYSA-N 404.496 0.935 30 20 HCED CN1CC[C@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCC(C)(C#N)CC2)C1 1769064583 YFGWIJRXTFAIAE-HXUWFJFHSA-N 401.515 0.597 30 20 HCED CN1CCN(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)CC1 1778261364 BVMAEZGEYHLFFH-QFIPXVFZSA-N 411.506 0.249 30 20 HCED Cn1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)cc1O 1779016364 SKDZFBMFYGUKKL-FUNKKEAFSA-N 404.471 0.041 30 20 HCED Cc1ncncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102276 GMYCDTBKONFKGS-XILVHTRDSA-N 417.466 0.758 30 20 HCED 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C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1838369178 WFKOJRZQVWSKRP-GFCCVEGCSA-N 410.544 0.636 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)C3)CC2)CC1 1838653653 OFWSDKBSBCNCQX-CVEARBPZSA-N 422.526 0.922 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CC13CCCN1CCC3)CCO2 1839116713 MLCQWEGGLDQPTF-QHCPKHFHSA-N 415.534 0.875 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1839223635 BLYDASVNOWFPEX-DNVCBOLYSA-N 408.455 0.854 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(F)c1 1840043873 YZKYKMQCBFPQRB-HXUWFJFHSA-N 404.394 0.292 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1840291931 NVQLWVDDTVEMFV-OAQYLSRUSA-N 418.494 0.245 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840292455 QRABSQQARRCTLZ-QFIPXVFZSA-N 418.538 0.918 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)ccc1[N+](=O)[O-] 1840757774 YPLHUJAANKZKDE-LJQANCHMSA-N 418.406 0.587 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)CCC1 1840814178 RWIITSFDLYLXAS-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)n1cccn1 1840816081 OFDLXTBVLRMVKO-UZLBHIALSA-N 401.467 0.594 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C)cc(C#N)c1)C2 1844159469 FBVWGNUXWIFMCR-MRXNPFEDSA-N 400.435 0.748 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1848073579 MBBLJMGEAKPHKI-IRXDYDNUSA-N 411.568 0.911 30 20 HCED C=CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 61746247 RFXTVZFHRSWPID-UHFFFAOYSA-N 424.523 0.794 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 139269293 VPNAELLPGCFWCS-CQSZACIVSA-N 414.509 0.032 30 20 HCED CCN(CC)/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305772101 SPNMPOUPXLTERZ-UHFFFAOYSA-N 406.530 0.448 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)CNc3cccc(C#N)c3)CC2)cn1C 427051225 GTLDQSDTRLFELY-UHFFFAOYSA-N 402.480 0.545 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 429146109 WHPOFWDEHJQGAT-UHFFFAOYSA-N 408.528 0.218 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)cc1C 436127528 JQDPJSLPHZUEMN-QGZVFWFLSA-N 406.508 0.361 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 437477866 UVESOXZLAPDEHZ-GUYCJALGSA-N 415.537 0.760 30 20 HCED COc1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1-n1cnnn1 442241333 KLKIFZHIPBSGJF-UHFFFAOYSA-N 419.401 0.771 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(OC)c2)c1=O 446123570 UOVVJVAZNJMJQW-UHFFFAOYSA-N 415.515 0.903 30 20 HCED COCCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 447431213 LTDVOBDGWMSMBY-UHFFFAOYSA-N 416.869 1.342 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)C1=O 464539579 VYWDEHYLQGOZKG-OAGGEKHMSA-N 410.430 0.236 30 20 HCED COc1ccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1 469077019 WDGCSXMCBBXIDS-OAHLLOKOSA-N 406.508 0.952 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCN(S(C)(=O)=O)CC1 469476512 QULZWYCMCFTMEL-UHFFFAOYSA-N 407.540 0.026 30 20 HCED C[C@H](CO)N1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 469852407 OSBTWOMACOPFDE-QZTJIDSGSA-N 405.568 0.845 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)c1C#N 471856227 KNXNYNCMXQWSQE-UHFFFAOYSA-N 423.524 0.341 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)CCN1CCN(C)CC1 474814663 YJBCSBAPSBYTQN-MRXNPFEDSA-N 421.567 0.757 30 20 HCED COC(=O)c1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2)nn1 476195901 GXTWXEIWQUKFEE-KRWDZBQOSA-N 408.418 0.511 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCCN(CC#N)C2)c1 478320224 NLLWDVVGXCAQAL-MRXNPFEDSA-N 408.524 0.885 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H](CO)[C@@H]2CCOC2)n1 485323233 PDTKYGKQLQCTFF-OLZOCXBDSA-N 401.398 0.583 30 20 HCED COCCO[C@H]1COCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 485530263 QDMWJYMTIGAXMW-SJORKVTESA-N 411.480 0.115 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487510423 DCLFHVSNIJWXOB-SJORKVTESA-N 419.507 0.382 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cncc(NS(C)(=O)=O)c1 503564317 XLSOMDZFHVFPSU-LBPRGKRZSA-N 401.452 0.466 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)COC)CC1 508461157 JAWNQEBZIKYXQJ-UHFFFAOYSA-N 404.496 0.751 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 508809555 MDKRBQIRJRLFHX-INIZCTEOSA-N 419.507 0.876 30 20 HCED C[C@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2NC1=O 517116874 FCSQXFFBZLWDOK-CYBMUJFWSA-N 420.429 0.960 30 20 HCED C[C@H]1CN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 523056610 HVSVXSAWAHTIAK-INIZCTEOSA-N 420.535 0.796 30 20 HCED CCOC(=O)Cc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 527088692 RVJHKEFAFRZDFW-UHFFFAOYSA-N 412.450 0.999 30 20 HCED N#C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NC(=O)CN3CCO[C@@H](C#N)C3)c2)CCO1 532548110 HGWXREDPGGTUTQ-LSDHHAIUSA-N 400.395 0.486 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)CC1 539250290 NDTDRLMGRLXRMZ-SFHVURJKSA-N 405.524 0.389 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](C)C#N 540312077 CCMSGGGTFBLXPR-CYBMUJFWSA-N 424.479 0.321 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 540967802 ZITBRAOLLUIGKV-LBPRGKRZSA-N 401.393 0.991 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 542766970 SVSAEIFRULZRQJ-QZTJIDSGSA-N 422.507 0.768 30 20 HCED N#CCc1ccc(OC[C@@H](O)CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 554836146 CAHTWXNVACVSQN-FQEVSTJZSA-N 422.485 0.854 30 20 HCED CCN(C[C@@H](O)COc1ccc(CCOC)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C 555230004 SGFKDMZLOBHPKE-MRXNPFEDSA-N 416.478 0.411 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 556387545 JTNDAGKJHCOQQX-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1 560670344 RAKLMSGKKBYCGR-UHFFFAOYSA-N 406.508 0.942 30 20 HCED C=CCN(CCc1ccccc1)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 561740892 YKIVOTQQPNOUCY-UHFFFAOYSA-N 400.523 0.913 30 20 HCED CCc1nsc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 568700755 HABFXAHFYNNORR-UHFFFAOYSA-N 420.520 0.599 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](OC(C)C)C3(C)C)CC2)c1C#N 572406024 YIFHDRVPANWNDN-IAGOWNOFSA-N 416.526 0.957 30 20 HCED N#Cc1ncn(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)n1 574423039 HSKYOGOAHQZKIB-UHFFFAOYSA-N 419.286 0.068 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 574542547 CUSVNNATCMRFLL-IBGZPJMESA-N 411.506 0.718 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 577271304 FEYAOFYXLMYEMV-LJQANCHMSA-N 411.506 0.776 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)C2=O)cc1 579517905 ZBUXQSBIHBMDBC-FGTMMUONSA-N 423.473 0.045 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 579626894 KATWYLXCAOMESM-GXTWGEPZSA-N 404.452 0.033 30 20 HCED COCCN(C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCOC1 587659724 XJHGSCDBCFWPHD-QGZVFWFLSA-N 401.467 0.302 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 589807117 ZHWQIFHJSPARES-OAHLLOKOSA-N 404.496 0.099 30 20 HCED Cc1ccnc(N2CCN(C(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)c1 600879635 XWFXILVPXQAINI-UHFFFAOYSA-N 419.489 0.654 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)cc1 605430096 IRVUQQQRBFHHJW-KRWDZBQOSA-N 415.538 0.931 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 608911573 JYTGRDKCHZSXCN-UHFFFAOYSA-N 404.879 0.078 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 609848577 FATBFSPXOREQLR-MRXNPFEDSA-N 415.494 0.988 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 609938514 WAFBICKQZGRYNB-UHFFFAOYSA-N 402.432 0.954 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)n2)cc1 610699856 QRNDVVKSIBBIBR-SJORKVTESA-N 410.434 0.543 30 20 HCED N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611653518 BWYHDIALHHAQRM-XPCVCDNBSA-N 408.436 0.527 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 672510025 SEBKITQQOSAKJI-NVXWUHKLSA-N 409.508 0.796 30 20 HCED O=C(CON=Cc1ccc(N2CCOCC2)cc1)N1CCN(C(=O)C2CC2)CC1 729673914 MDZAAMOBYBUREM-UHFFFAOYSA-N 400.479 0.955 30 20 HCED C[C@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745442599 LFLONFQAWIFRCK-DFMBRWPFSA-N 403.435 0.423 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 746403312 CXJTYMSZECQWQT-FYWRMAATSA-N 423.842 0.325 30 20 HCED COC(=O)[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1cccc(C#N)c1 751618996 SIKHAVVKEAYFRJ-HNNXBMFYSA-N 401.400 0.813 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(OCCC(=O)NC)CC1 752136124 MEEQPQKMJPNUHM-UHFFFAOYSA-N 405.426 0.920 30 20 HCED C#CCOCCNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 753377907 DDZOIBQCRKIFDG-UHFFFAOYSA-N 408.480 0.344 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[C@@H](C#N)C1 754382425 AWVPFGXMQGXCKJ-DJJJIMSYSA-N 405.455 0.678 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1 756896157 ZRACVAIRTBMFCK-XAEJFWIOSA-N 405.455 0.582 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758079607 OTWAPDAFUVGQNJ-UHFFFAOYSA-N 411.531 0.914 30 20 HCED CCOCCS(=O)(=O)NCC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 762241148 DRKVPYFANXLAHM-UHFFFAOYSA-N 410.496 0.414 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1(CS(C)(=O)=O)CC1 767672789 UUYWHSAPSNFIJZ-LBPRGKRZSA-N 400.478 0.593 30 20 HCED C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)OCC(=O)NCC#N)C1=O 771412556 OTQGWSVWLUCZER-MRXNPFEDSA-N 423.223 0.399 30 20 HCED CCOC1CC(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)(N2CCOCC2)C1 773920561 LCIKOOQKYLGEEK-UHFFFAOYSA-N 416.478 0.914 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 782959581 OKCOPJVMZSMOBF-UHFFFAOYSA-N 412.878 0.645 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccccc2OCCC(N)=O)c1 783462281 OFMFPUZIOYTWCZ-UHFFFAOYSA-N 408.414 0.616 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCN1CCOCC1=O 785303688 XUMVXQYUFGGBIK-HNNXBMFYSA-N 423.491 0.542 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 786653915 HBSYCWMQXFRKBA-UHFFFAOYSA-N 415.288 0.772 30 20 HCED C#CCn1ccc(CN(CC)C(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)n1 788830875 JAIBGRCOVIJSBO-UHFFFAOYSA-N 418.465 0.743 30 20 HCED C[C@H](C#N)OCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 801808542 VAAIYYLQZJZOHO-MRXNPFEDSA-N 423.491 0.772 30 20 HCED C#CCNc1nc(NCCN2CCO[C@@H](C)C2)nc(NCCN2CCO[C@@H](C)C2)n1 804403333 MKLHQQHFPKAVII-IRXDYDNUSA-N 418.546 0.182 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 814649821 DMKXANDDWFNMLX-CQSZACIVSA-N 404.452 0.880 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OC[C@@H]3CNC(=O)O3)nnc12 913164231 PQIBYHPNKDSXIN-NSHDSACASA-N 415.431 0.974 30 20 HCED N#CCN(C(=O)COC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652733 MNLNQJJPHOZAHS-GOEBONIOSA-N 419.459 0.122 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cc[nH]n2)c1 918269673 GSDATXOZGIUBID-JCMHNJIXSA-N 404.452 0.477 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cn2cccn2)CC1 918921992 BMPNWZVCWYKOIM-UHFFFAOYSA-N 410.390 0.895 30 20 HCED N#C[C@@H](C(=O)CO[C@H]1CCOC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1263291219 PHWLERFKFRVBQZ-IRXDYDNUSA-N 402.407 0.758 30 20 HCED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286537131 WYPSUVAVXCJJSN-GFCCVEGCSA-N 410.276 0.538 30 20 HCED CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1297822536 ISPVIDNLBSDSEF-WNNBVUDTSA-N 416.507 0.809 30 20 HCED CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1313888338 NOVSROYKANTGQI-JYJNAYRXSA-N 408.528 0.251 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCOCC2)C1 1316352054 MZDDKEDYSXGJNS-MRXNPFEDSA-N 416.507 0.935 30 20 HCED N#CCOc1cccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 1319947109 RWZCEOAUVZMCTJ-GOSISDBHSA-N 422.507 0.925 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1321844944 MLWCHEHEMHNMBF-UHFFFAOYSA-N 401.466 0.084 30 20 HCED N#Cc1ccc(CNC(=O)CS(=O)(=O)Cc2nnnn2CC2CCOCC2)cc1 1321989447 CCVXTSOYZILXTH-UHFFFAOYSA-N 418.479 0.203 30 20 HCED Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cnn1C 1510502973 XLHNGVCXHNFGKX-GFCCVEGCSA-N 406.516 0.719 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc(Br)cnc2N)cc1 1648363033 PXDDBHVCNKINOD-UHFFFAOYSA-N 424.280 0.893 30 20 HCED COC(=O)C1(NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCOCC1 1658660054 XZXPOBOYRDRQJG-HNNXBMFYSA-N 406.508 0.769 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1690994311 ZUIYKSOLDZCYEJ-LLVKDONJSA-N 401.393 0.788 30 20 HCED Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1693303530 PECNHFWLOSIOGM-CQSZACIVSA-N 406.516 0.833 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CC(=O)NCC(F)F)CC2)c1C#N 1693406541 LFTUCFFVFJPTKY-UHFFFAOYSA-N 407.429 0.208 30 20 HCED C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC(N)=O 1705681614 YPQKPOWHXFCDJJ-VHSXEESVSA-N 423.337 0.497 30 20 HCED COC(=O)N1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1711466732 QBBHWRBECAOFSM-MRXNPFEDSA-N 414.470 0.886 30 20 HCED CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 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408.462 0.598 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](OC(C)=O)C(C)C)C2)C1 1778804237 ZOFFDQMQCPMCFX-NQIIRXRSSA-N 424.494 0.913 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCN1CCOC1=O)CCO2 1779020111 YISIXDACIIYZQG-LQOIVRHRSA-N 421.498 0.130 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3cccnc3[nH]2)C1 1779063763 LZSCZDPXFCBHDY-IIBYNOLFSA-N 410.430 0.778 30 20 HCED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779364423 XVAMSJAHSZNLCG-PAIJHWHYSA-N 421.542 0.498 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)Cn4ccnc4)CCO3)C2)c1 1780168915 WFLBRXOVXZLUHW-OAQYLSRUSA-N 409.446 0.907 30 20 HCED CS(=O)(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697880 AUEUKVIBAZBIFZ-IBGZPJMESA-N 405.476 0.436 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccccc3C(N)=O)C2)C1 1781758362 NOSLSHCYZMUMMQ-VGOFRKELSA-N 415.490 0.802 30 20 HCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)C2)C(F)(F)F 1781804752 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CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2C1 1814401124 LYIOTWKIIYCBGI-DGCLKSJQSA-N 418.523 0.616 30 20 HCED Cc1cn(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)CCC#N)n[nH]2)c(=O)nc1O 1817124910 VVKNIFGWXSHUOY-AWEZNQCLSA-N 413.438 0.977 30 20 HCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](C)S)CC2 1819472539 HPVLVKAFHZKPIX-BFHDXFOESA-N 402.498 0.438 30 20 HCED C=CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028019 CVVBADHAHKQGQM-NVXWUHKLSA-N 407.515 0.901 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4=O)C3)C2)C1 1829673043 DTCLCPFLHFDORB-NRFANRHFSA-N 405.495 0.422 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C)CCO2)C1 1832066846 UORKXLAOBZLHIB-UWVAXJGDSA-N 410.515 0.338 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832880263 DXLVPBHGFWZGHA-FQEVSTJZSA-N 404.467 0.167 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C3CC(=O)C3)CC2)CC1 1833076312 SRKVFEWMWMNGMO-ARJAWSKDSA-N 416.522 0.396 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)N(C)CC)CC2)CC1 1833466756 NWZDBLYWTFFEHW-MSOLQXFVSA-N 406.571 0.937 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)Cn3nccn3)CC2)CC1 1833707065 GPJUCDSPPJWVOA-UHFFFAOYSA-N 406.556 0.769 30 20 HCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)ccc1C 1834765542 QEWXCIGRWKWBKO-OAQYLSRUSA-N 414.462 0.937 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)[C@H](CC)NC)CC2)CC1 1834790719 HBKOTDBDWQZGBB-RURPWVQCSA-N 419.570 0.414 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)n4[nH]cnc4n3)CC2)CC1 1834797599 OFBAAUIYDFKDLM-UHFFFAOYSA-N 413.482 0.179 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1835102087 JUDJGPLQHWLLPM-ISGGHPHESA-N 420.469 0.931 30 20 HCED COc1ccc([C@@H](O)C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)cc1 1835352427 ZDVKHRHWWGFMBF-TZIWHRDSSA-N 417.462 0.489 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835411440 CEWIYLWLMRFBKT-AVRDEDQJSA-N 419.522 0.834 30 20 HCED CC(=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3(O)CCCCC3)CC2)CC1 1835750333 WFOAGUPMLISIAE-UHFFFAOYSA-N 403.523 0.846 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1835789357 KJSLVKOPPDBOFA-IBGZPJMESA-N 424.523 0.778 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836968601 NPBNSZATZFIIPK-IBGZPJMESA-N 403.439 0.039 30 20 HCED CO/C=C(\C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1837262281 BZPVPDXIKLFWDI-QSMVIOEWSA-N 408.499 0.465 30 20 HCED O=C(/C=C/C1CC1)N1CCOC[C@@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837440595 OKGDWPQFQQJFEZ-GZZLHRLQSA-N 404.511 0.881 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837833113 QZASDMOYGXECGB-IFXJQAMLSA-N 422.869 0.238 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837845091 ZHGXADMWRQYTLY-CQSZACIVSA-N 410.519 0.269 30 20 HCED CN[C@H](CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1)C(=O)O 1837886485 GTSWHHNSPFJNHO-IUODEOHRSA-N 401.529 0.366 30 20 HCED Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1838395267 YMZYYZQNBRASJY-KQBANSRISA-N 416.434 0.765 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838733082 NDGZCXXFGGEKGJ-QFBILLFUSA-N 406.508 0.911 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1838952064 ZBHSSRGMZWWBDE-OAQYLSRUSA-N 423.429 0.025 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C3=C(C)OCC3)C2)C1 1839174559 JNKCOIHZHBUVDT-OAQYLSRUSA-N 422.478 0.647 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1839224048 MPHCLHKGPVJPAF-YWZLYKJASA-N 420.466 0.658 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1839224757 OMEWCUOSUCNITI-BEFAXECRSA-N 407.471 0.210 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1839389372 LSOVLCIYGLKRJG-ZZODWALSSA-N 416.434 0.127 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCC(=O)Nc3ccccc3)C2)C1 1839805295 HWTUPAFIOQDHNV-QFIPXVFZSA-N 413.474 0.885 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1840293670 OPEWSLCUUIXGEX-UTKZUKDTSA-N 422.526 0.344 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840388735 IDXMFFXKRMDHIY-KXBFYZLASA-N 410.540 0.746 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1)n1cccn1 1840440352 JLWMXTJCVGHTAV-WMZHIEFXSA-N 422.485 0.952 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840855478 ISZSZNXBTXPTJP-SIKLNZKXSA-N 421.538 0.941 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1 1843997935 UOONFEIYIYFVEC-OAHLLOKOSA-N 405.524 0.788 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)c2n[nH]c4c2CS(=O)(=O)C4)C3)c1 1844795557 ZDZDSSUYGIVPMD-UHFFFAOYSA-N 414.447 0.169 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)C1=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)C2 1845960643 YSFQXEFWUVAGKA-OAQYLSRUSA-N 416.478 0.979 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1 16948491 AIKSCWXASJZHQF-UHFFFAOYSA-N 423.369 0.696 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2nc3ncccn3n2)CC1 45881872 ACLZGQGWVPVULL-UHFFFAOYSA-N 411.447 0.072 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 409543780 HYMLJZORSOEBJY-UHFFFAOYSA-N 416.525 0.100 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)N(CC)CCC#N)CC2)n1 410137414 WFBHGIZCSXFXCS-CQSZACIVSA-N 400.505 0.765 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 435433398 NKFBUIRVIWJJCO-UHFFFAOYSA-N 407.539 0.681 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 437322591 ISWZNSBIJOVQQN-CQSZACIVSA-N 424.504 0.959 30 20 HCED N#Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(OC(F)F)c1 437887552 HPDMAPFPSGHKAK-GJZGRUSLSA-N 401.435 0.747 30 20 HCED CS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)NC3(C#N)CCC3)cc2)CC1 438906068 VUGPEDVQKFBTHQ-UHFFFAOYSA-N 420.491 0.345 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC(O)(CC#N)C3)c(Br)cc21 440096322 GTHDNHRPZAMEGC-UHFFFAOYSA-N 415.269 0.289 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)C1=O 440275090 RYPDLHKCFCPQMQ-AWEZNQCLSA-N 411.455 0.803 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCOC1 441927600 CWKXNVMNOMWAKT-OAHLLOKOSA-N 412.515 0.761 30 20 HCED C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 443260231 BYUKDOJKQFRRGI-UGSOOPFHSA-N 411.462 0.849 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 460689759 NKBICJLDDKFDPB-UHFFFAOYSA-N 423.477 1.244 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccon3)CC2)cc1 461310889 RETDETKZAJDMBU-UHFFFAOYSA-N 403.464 0.825 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)nn1 462098788 QDCGBHQMOVKWCG-CQSZACIVSA-N 421.421 1.304 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N(CCC(N)=O)Cc1ccccc1 464865178 WTBZWKCMPKOFER-QGZVFWFLSA-N 421.505 0.763 30 20 HCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)ccc21 465274572 HVDDRXZBPMMSTQ-ZDUSSCGKSA-N 419.445 0.722 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 470993527 CRLTZMJZYBAHEC-XJKSGUPXSA-N 409.402 0.833 30 20 HCED N#C[C@@H]1COCCN1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 471239596 VJRYRHTWMBGVKX-QGZVFWFLSA-N 418.519 0.975 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@]2(C#N)CCOC2)c1 478661709 MJBBOSHLCGVWIO-GOSISDBHSA-N 408.480 0.246 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 480110406 QGZFFYAWTIGEOU-AWEZNQCLSA-N 406.508 0.942 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482810212 PFOZPGKFHGXUCX-GXTWGEPZSA-N 418.479 0.094 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)c1 485506014 YHBPIBLQWCIULK-UHFFFAOYSA-N 406.464 0.307 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)NC2(C#N)CCCCC2)C1 488100792 ZFTGQESIHPARBS-INIZCTEOSA-N 400.545 0.701 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCC)cc2)CC1 491053204 RRDYNKINTYOTJT-UHFFFAOYSA-N 415.494 0.211 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1 495319213 LGYXZBZMCIBCKQ-IBGZPJMESA-N 421.457 0.876 30 20 HCED COC(=O)C[C@@H]1CSCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 497237553 SOTHMKDOKHBQCE-TZMCWYRMSA-N 411.505 0.732 30 20 HCED COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)N(C)CCC#N)cc1 502411688 YQNMCUWOEQMFDM-OAHLLOKOSA-N 401.510 0.775 30 20 HCED N#CCCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 502538430 QBRPPVQTUMLWCL-UHFFFAOYSA-N 416.459 0.956 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@H](CC)C(=O)OC)CC2)cc1 507442221 NPQBURXIZMDQJF-QGZVFWFLSA-N 416.478 0.637 30 20 HCED Cn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)nnc1N1CCO[C@@H](C#N)C1 508536288 YIZIQURALREPJF-HNNXBMFYSA-N 402.480 0.995 30 20 HCED CN(CC(C)(CO)CO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508826630 HIBNCEWYWORWJF-UHFFFAOYSA-N 409.508 0.408 30 20 HCED C=CCn1c(-c2ncccc2C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 508924893 ZGMOJOCNIJIULR-UHFFFAOYSA-N 423.481 0.301 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3C#N)CC2)cn1C 512539181 BLOXHKMHEJUCJT-UHFFFAOYSA-N 416.507 0.617 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)CN1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513671104 GFJIPPWYAKNFGX-ASSNKEHSSA-N 422.445 0.881 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003698 SNKBNNZCSLZJOH-ACJLOTCBSA-N 405.480 0.369 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)c1C#N 516792312 FJEMONNSQLJVSQ-CQSZACIVSA-N 405.462 0.998 30 20 HCED Cc1nc(SCC(=O)NCC(=O)NCCN2CCOCC2)c(C#N)c(C)c1C 518428538 UMULHVDGDPPETF-UHFFFAOYSA-N 405.524 0.535 30 20 HCED Cc1[nH]nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] 520336391 VAAATXDNLSMVTD-UHFFFAOYSA-N 404.408 0.645 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O 520348246 MMNKHEOCRONGEL-CQSZACIVSA-N 418.837 0.881 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(CCC#N)n1 533454301 DIDRHJUCAIPFCM-AWEZNQCLSA-N 407.438 0.443 30 20 HCED C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 537158279 UXUXGIJLNSODGC-UHFFFAOYSA-N 405.480 0.835 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 542766972 SVSAEIFRULZRQJ-ZWKOTPCHSA-N 422.507 0.768 30 20 HCED Cc1ccc(C(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)cc1S(=O)(=O)NCC#N 557581050 KYMOUYAXKZZWHV-WBVHZDCISA-N 406.508 0.732 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)Oc2ccccc2)CC1 558194165 DWAQIVSGGAKMQT-UHFFFAOYSA-N 402.495 0.407 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)nn1CCC#N 559037407 SGDHRHXJYOSOLL-GOSISDBHSA-N 422.489 1.394 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(c3ccc(C(N)=O)cc3)CC1)CC2 559476379 RXZFYAJPJJFSHX-UHFFFAOYSA-N 403.442 0.895 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC(=O)NCC#N 563558205 JDVUMPXYZFDQBN-GOSISDBHSA-N 402.476 0.899 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2csc(-c3ccco3)n2)CC1 569267461 BDKWKECGNJQBOI-UHFFFAOYSA-N 417.491 0.466 30 20 HCED CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 570907484 HRYYIBXHCFMCJP-IBGZPJMESA-N 405.455 0.862 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1 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413.438 0.311 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 617049376 BQVYVGDFSMRVTH-INIZCTEOSA-N 401.533 0.056 30 20 HCED O=C(NCC#CCNC(=O)C1(C(=O)NC2CC2)CCC1)C1(C(=O)NC2CC2)CCC1 681339231 LJISPDFBIXWQJZ-UHFFFAOYSA-N 414.506 0.120 30 20 HCED COCCN1C[C@H](C(=O)[C@@H](C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC1=O 729069094 COIFSJDASCOXEO-GDBMZVCRSA-N 400.435 0.531 30 20 HCED Cc1c(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnn1Cc1ccccc1 732909128 ZCSVBAKHZZYSQN-INIZCTEOSA-N 400.460 0.819 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1Cl 734902219 YDOZXJNXTVFPRG-UHFFFAOYSA-N 410.235 0.809 30 20 HCED CC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737268219 BDDPWEXDQBPBAY-CQHJRZBDSA-N 410.496 0.715 30 20 HCED COC(=O)c1ccccc1N(C)C(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741342364 NVZGARFUFBQLPN-VHEBQXMUSA-N 415.402 0.896 30 20 HCED C#CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 742784477 WXIIXHSGIHWTGN-UHFFFAOYSA-N 421.519 0.687 30 20 HCED 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CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2ncccc2C#N)c1 504717085 QAJLWJMIAKVHIW-UKRRQHHQSA-N 403.468 0.978 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 515684903 OUEMZOOGYSVUHG-UHFFFAOYSA-N 413.499 0.520 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)nn1 516517470 QIWMOIWVZRSVCS-ZDUSSCGKSA-N 400.370 0.878 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C1CC1 521617054 QMMWVPVXWNCYEH-UHFFFAOYSA-N 400.416 0.411 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 531708605 SYCIADAYGRRVBI-HOCLYGCPSA-N 404.492 0.838 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(CCC(=O)Nc2sccc2C#N)CC1 532959079 BWAMWHAHJZQTFG-HNNXBMFYSA-N 405.524 0.813 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC(N)=O)cc1 546609407 UQYULCQWMXSQKF-UHFFFAOYSA-N 404.451 0.485 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cc2C1=O 548370177 ODOKHCKMQORYBA-UHFFFAOYSA-N 416.419 0.145 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)c1 553782817 PHIQOIJBOMJFSD-CQSZACIVSA-N 415.537 0.647 30 20 HCED C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)C1=O 555420990 XQPWQANUACXQOI-KBRIMQKVSA-N 410.471 0.936 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 556187791 PPTDGEHHFCCFBV-UHFFFAOYSA-N 413.522 0.869 30 20 HCED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCCn3cnc(C#N)n3)n(C)c2)C1 557110960 HDDVKNHXXUKGSE-ZDUSSCGKSA-N 405.484 0.339 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 557768980 MCICTVMLIBZRHX-SFHVURJKSA-N 402.543 0.970 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC(F)F)cc2)CC1 559427769 XBSWRJQMGZQFRA-UHFFFAOYSA-N 410.421 0.351 30 20 HCED CC(=O)Nc1cccc(OCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 562125270 WFVQLNLCEDSWHB-UHFFFAOYSA-N 416.459 0.990 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 570691835 PKOGXUDZQJUFBM-UXLLHSPISA-N 403.483 0.125 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 570736595 QYBZSTXHEXBVPF-UHFFFAOYSA-N 418.435 0.805 30 20 HCED CN1CCC(CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 573479524 YBGDCMJHCDNSFU-IBGZPJMESA-N 411.506 0.576 30 20 HCED CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 577890308 BQHSNDWMRUSEJE-CYBMUJFWSA-N 421.531 0.148 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccccc2C)CC1 580471655 AWXJQFAJKCXPSJ-KRWDZBQOSA-N 402.495 0.325 30 20 HCED CCO[C@H](C)c1noc(CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 584560512 PPSKZHAXHIEXNG-GFCCVEGCSA-N 407.452 0.976 30 20 HCED CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NC1CCN(CC#N)CC1 588125159 ZINQVRPRFJXRHS-UHFFFAOYSA-N 412.538 0.371 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589069442 SVMJRVUPMLKJPZ-KGLIPLIRSA-N 414.466 0.103 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CC=C 603826119 POWCDHGOVSBFJU-UHFFFAOYSA-N 409.467 0.672 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(NC(C)=O)cc2)C1=O 726043226 SREFNPGZHCPMHN-NSHDSACASA-N 401.375 0.736 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccc(S(N)(=O)=O)cc1 727417527 MTFFPXOOQSJPTN-UHFFFAOYSA-N 412.452 0.225 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O 728730329 MEHNNAJSQOTWOP-PXRHCINRSA-N 417.462 0.980 30 20 HCED CN1CCN(CCCN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 732115002 UIIFZDAQGPTFNL-UHFFFAOYSA-N 421.567 0.601 30 20 HCED COc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1OC(F)F 732909723 FXQDAIXNLNXTMY-NSHDSACASA-N 402.375 0.876 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1c(F)cccc1F 732943959 UUIUTTORKYUPRM-UHFFFAOYSA-N 422.413 0.550 30 20 HCED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 733162818 XKIYMRQJPBTBOD-UHFFFAOYSA-N 409.508 0.540 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 737274786 FOLSBYNGDNGEKL-UHFFFAOYSA-N 406.446 0.252 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCOCC1 743760697 UZTWLFCVNPPZSK-OAHLLOKOSA-N 409.508 0.798 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 745355943 FPEMNRIXPFRKEX-SJCJKPOMSA-N 413.500 0.301 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2nccc3ccccc23)c1=O 758039415 DHUYPIRJUDPFMI-UHFFFAOYSA-N 400.463 0.873 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 758055510 QERNITRJWPYPEN-CQSZACIVSA-N 411.483 0.206 30 20 HCED C#C[C@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760519048 ZZRLXAFSWJZTIP-JQWIXIFHSA-N 405.398 0.756 30 20 HCED C=CCN(CC(=O)OCC)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 765224893 PVZBNIZGSSDRJU-UHFFFAOYSA-N 412.464 0.704 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)c1=O 767512105 HJPRNYSGLQWZLH-QGZVFWFLSA-N 418.416 0.527 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)Cn2cnc(C#N)n2)C1 769157837 WYWXDPFOTPRVLZ-ZDUSSCGKSA-N 405.459 0.029 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc[nH]n1 772229011 BNFOKKBCUNZIRE-UHFFFAOYSA-N 415.385 0.934 30 20 HCED C[C@H](CC(=O)N1CCC2(CCN(C)C2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 772936170 ALXFOGUCAAVIRR-CQSZACIVSA-N 418.519 0.975 30 20 HCED CN(CC1(O)CCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785326371 PEOZORIPEVSPMA-PGMHBOJBSA-N 422.507 0.811 30 20 HCED Cc1nc(Cn2nnc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)c2C)no1 787518205 BNKLPLFRIUQSJH-CHWSQXEVSA-N 416.442 0.815 30 20 HCED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O 787776323 DYWYUDRJCRNFEI-LBPRGKRZSA-N 412.372 0.103 30 20 HCED CCCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](COC)C(=O)OCC 791051204 ZMMADOZPTVCXLI-CQSZACIVSA-N 411.480 0.542 30 20 HCED CNC(=O)COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 794413892 JNWQDXTVDIQGOX-UHFFFAOYSA-N 416.459 0.797 30 20 HCED C#CCC[C@@H](O)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 798487165 NCMKWSUWYXAPDT-SNVBAGLBSA-N 410.311 0.905 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)CC1 805057036 AOYHKXPEANZTMK-MOPGFXCFSA-N 400.479 0.442 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C)CC1 809860890 DDPARPDAWBDVFV-UHFFFAOYSA-N 405.462 0.695 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 914655569 XWQDQPBUEUZKIX-SOUVJXGZSA-N 400.497 0.378 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)C2CCN(S(N)(=O)=O)CC2)CC1 914900273 WVVITLGRSIJSRO-FVRSWCFKSA-N 414.528 0.764 30 20 HCED CCO[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 915501972 SPJRQAMAEHFIHZ-CQSZACIVSA-N 409.464 0.359 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 919726004 IODSROWOHPZHSE-UHFFFAOYSA-N 404.404 0.813 30 20 HCED CN1CCN(Cc2cccc(NC(=O)C(=O)NCCNc3ncccc3C#N)c2)CC1 920187555 JMZRDMLTVRWWEL-UHFFFAOYSA-N 421.505 0.867 30 20 HCED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)cc1 990915385 FAGUHHHYTVQLDG-KCTPXNJMSA-N 417.469 0.865 30 20 HCED CC(C)(C)C(=O)NC1CCC(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1 1122507218 VUTHXCGIILKGBY-NRXISQOPSA-N 411.524 0.673 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 1122624390 BCTIFVLKYLEZQJ-MRXNPFEDSA-N 420.491 0.707 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ncc(Br)cc1C#N)C2 1186121095 KVTLIIXOWOPBOW-UHFFFAOYSA-N 406.244 0.182 30 20 HCED C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1288600113 XCVBSJWZWIOGGE-KXBFYZLASA-N 405.478 0.677 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCn2c(nnc2-c2ccccc2)C1 1318838999 RYXYISGFGORPTH-ZPHPHTNESA-N 407.434 0.997 30 20 HCED CN(CC(C)(C)C#N)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1477275500 URQKTVJDTVGXQH-UHFFFAOYSA-N 408.528 0.725 30 20 HCED CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1499219387 PMIMXQBEJJAUOM-MRXNPFEDSA-N 404.496 0.839 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1503831872 RGFSGSNSHKVXNT-UHFFFAOYSA-N 417.495 0.034 30 20 HCED N#CCCN(C(=O)CCC(=O)NCCc1nnc2c(=O)[nH]ccn12)c1ccccc1 1558342615 OQQXOXNDAIOVBE-UHFFFAOYSA-N 407.434 0.803 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1617384847 SJHNWXSNCLGVIX-AWEZNQCLSA-N 404.496 0.981 30 20 HCED CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 1622671703 IRHPNYZOUVVWAU-UHFFFAOYSA-N 407.496 0.879 30 20 HCED N#CCC1(CS(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 1661645808 OMTXMSDUKJGVCV-UHFFFAOYSA-N 405.542 0.573 30 20 HCED C[C@](O)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1Br 1663032701 DRJSWBNRYUDZSD-RISCZKNCSA-N 404.286 0.715 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1669217563 SCFQCYSPXIFQNS-UHFFFAOYSA-N 420.538 0.145 30 20 HCED Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1742194460 MSNLHQPLRNMETD-SJORKVTESA-N 409.443 0.838 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)n1 1742332899 MJMOXJAOLRAJNB-CABCVRRESA-N 402.480 0.812 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1778979764 PSWPCTQDWPNGNM-KKSFZXQISA-N 408.495 0.899 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1779099269 DIGQHDRKZKJRQQ-SYPCGMHJSA-N 417.466 0.378 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccncn1)CCO2 1779101572 NOCIVNVFBPKXQH-VEAGQJPWSA-N 403.439 0.449 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1779140568 ACSANNPRGCNQJH-XZEIMLRBSA-N 412.446 0.872 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1780801965 IBFPMNILPFXHFO-QCBUCWTNSA-N 408.499 0.580 30 20 HCED COCCC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781174706 SGUJFCXDQFBSHV-OAQYLSRUSA-N 401.463 0.976 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782422962 QOFNWUBIVPRFJA-IBGZPJMESA-N 415.475 0.873 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4c(c3)CCNCC4)C2)C1 1782725806 KCFPPPAVMPIAGZ-QFIPXVFZSA-N 411.506 0.763 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1783567402 ZQFXEKINQMIREH-QGZVFWFLSA-N 422.235 0.376 30 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Cn1c(N)c(C(=O)CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(=O)n(C)c1=O 116402023 GNSHPNPLSJNOBF-UHFFFAOYSA-N 424.461 0.071 30 20 HCED N/C(=N/CCNC(=O)c1cccc(Br)c1)NCCCN1CCOCC1 303975127 IOOWBCOYMRSTRI-UHFFFAOYSA-N 412.332 0.806 30 20 HCED C[C@H](NC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCOCC1)c1ccccc1 410127295 LEJXSAMKUZJAJY-WMZOPIPTSA-N 408.524 0.945 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)cc1 427515006 GBZRPKNNCSJHTP-UHFFFAOYSA-N 420.447 0.440 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(N4CCOCC4)CC3)C2=O)cc1 433739912 MOVFUURUMUYFHH-KRWDZBQOSA-N 411.462 0.744 30 20 HCED C[C@H](CN1CCN(C)CC1)Nc1ccc(C#N)c(N[C@H](C)CN2CCN(C)CC2)n1 436395012 GUTUDEFOOPJRIL-RTBURBONSA-N 414.602 1.049 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)C1=O 440280805 WLQDKEPTJPKDOE-HNNXBMFYSA-N 402.451 0.581 30 20 HCED Cn1cc(S(=O)(=O)NCCN2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 441248942 NQALRLZRRPEECE-UHFFFAOYSA-N 402.524 0.778 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)N1CCN(c2ccccc2)CC1 444600060 XUFKOCGGJXOINM-QGZVFWFLSA-N 409.494 1.062 30 20 HCED Cn1ncc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1C(F)(F)F 445068318 WUXUUPQMBBWUTF-UHFFFAOYSA-N 407.356 0.993 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCOCC2)C[C@H]1C 470510961 CKXNFQVHFOKEKV-HZPDHXFCSA-N 420.535 0.937 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)CC2)c1C#N 472073548 IIEYYOKPFUNZSE-GOEBONIOSA-N 403.487 0.068 30 20 HCED CC[C@](C)(NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(N)=O 472583139 SBBNJDULFJIWII-IBGZPJMESA-N 400.439 0.698 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1 472868940 LMJPSLYZKRZWLG-UHFFFAOYSA-N 412.450 0.905 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCOC[C@H]2C#N)cc1 479801305 AATAPKAFKMWRRB-OAHLLOKOSA-N 408.480 0.198 30 20 HCED Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N(CCC#N)CCN1CCOCC1 486816647 AVXCNKIDUWVGCA-UHFFFAOYSA-N 411.466 0.565 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc1 491140989 URKKANONWLPKFZ-UHFFFAOYSA-N 408.374 0.785 30 20 HCED CN(C(=O)CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1(C#N)CCCCC1 502336785 ZCEVFYYDVXTBSJ-QGZVFWFLSA-N 412.556 0.798 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 502380462 PYFWRCXSHBPCBT-SFHVURJKSA-N 406.508 0.301 30 20 HCED CN(C[C@H]1CCCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1)S(C)(=O)=O 506716402 BWQBFUSKDXYYFF-OAHLLOKOSA-N 404.492 0.577 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 507051174 KFLLKSVPWVLKNE-LBPRGKRZSA-N 406.386 0.744 30 20 HCED C=CCN(CC=C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 507387692 HNPWKRSLFCGCFI-INIZCTEOSA-N 400.522 0.969 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 507535492 VOJAVWWKOHPGME-UHFFFAOYSA-N 417.472 0.520 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1C(=O)N1CCCCC1 508334757 WXKJZVIPOFXBEV-UHFFFAOYSA-N 409.450 0.839 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1 508650772 FFZJZEQJBFVXQI-UHFFFAOYSA-N 412.368 0.774 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 509582460 GKHZLRBFJDCTKF-UHFFFAOYSA-N 421.500 0.698 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)cc1 512434329 WEZGXVSUUPELQT-OAHLLOKOSA-N 405.480 0.182 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCSC)c1=O 512719619 DQIOLTJWYTZGKD-UHFFFAOYSA-N 419.576 0.764 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2sccc2C)c1=O 522283673 DTFLENZLVHUVAB-UHFFFAOYSA-N 421.544 0.582 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCOC[C@@H]2C2CC2)CC1 534862851 PYOHDJBCNPRRCB-GOSISDBHSA-N 418.519 0.502 30 20 HCED COCCCNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 538136968 KBMOUWFXFBCEGB-LJQANCHMSA-N 407.559 0.543 30 20 HCED C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 538352326 VTFJSMPUQMSKML-OAGGEKHMSA-N 410.565 0.964 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CCCSC 542013168 OHXFVHAKTHAWFQ-UHFFFAOYSA-N 424.529 0.882 30 20 HCED Cc1nccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 544767391 ZXPXTFGUXFQYFQ-UHFFFAOYSA-N 414.491 0.626 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O)c1ccc(C#N)cc1 550971602 JJQJVRNUIPOPBR-WMLDXEAASA-N 408.462 0.776 30 20 HCED Cc1nn(C)c(C)c1CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551439260 OSHVMCCFUPMKOR-IBGZPJMESA-N 422.489 0.485 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 552145168 KNZUCRXAXRTDPB-UHFFFAOYSA-N 406.443 0.998 30 20 HCED COC(=O)c1c(C)csc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 554590947 FAPAIMXOAYEUKK-UHFFFAOYSA-N 404.452 1.050 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3CN3CCCC3)C2=O)cc1 554694851 QKKUWIUIBBGNCX-PMACEKPBSA-N 423.517 0.862 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)NCc2cccc(C#N)c2)cn1 556033691 KLJLJOMWISSRCA-KRWDZBQOSA-N 415.475 0.389 30 20 HCED CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCc3cccc(C#N)c3)CC2)CC1 556038964 SGDUNOZIIIDTIN-UHFFFAOYSA-N 411.506 0.577 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(C(N)=O)cc3)C2=O)cc1 561704767 RYWIYRZNNZNEOQ-GOSISDBHSA-N 419.441 0.585 30 20 HCED C=CCCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 562167991 ZIHATAMFTUBJAW-KRWDZBQOSA-N 416.526 0.823 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 565919855 OEKCRIAFWDOMPT-DLBZAZTESA-N 417.462 0.846 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1 572269075 AVJZZVVOYBBDTE-ZDUSSCGKSA-N 401.510 0.292 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](CC(N)=O)C3)C2=O)cc1 578573396 YEYSCXZBYMAICB-NVXWUHKLSA-N 411.462 0.284 30 20 HCED CSC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 583108760 XMOSJQBAZYIOMB-SFHVURJKSA-N 424.548 0.914 30 20 HCED C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C#N)c1 587689898 MFAYTZGQRXIOKG-IYXGVVJKSA-N 406.442 0.659 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3nnnn3C3CC3)n2)c(Cl)c1 611887593 PDVNBMMXIDHRDI-UHFFFAOYSA-N 411.813 0.974 30 20 HCED CC1(C)CN(c2ccc(C#N)c(N3CCN(CCO)C(C)(C)C3)n2)CCN1CCO 618164838 GGHCPRRQYCMYFU-UHFFFAOYSA-N 416.570 0.739 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2-c2cnn(C)c2)CC1 673592431 HUDCBCGACXBGIP-UHFFFAOYSA-N 424.505 0.150 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCOCC1 743760687 UZTWLFCVNPPZSK-HNNXBMFYSA-N 409.508 0.798 30 20 HCED C#CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 746457979 XQYGNPZBNYQTLR-UHFFFAOYSA-N 409.508 0.492 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 747277080 GLCCLCOBQIJJHR-UHFFFAOYSA-N 418.519 0.025 30 20 HCED C[C@@H](ON=CC(=O)Nc1ccc(F)cc1F)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 749789036 KCMKJYYISKXEKX-ZYHUDNBSSA-N 403.407 0.940 30 20 HCED CS(=O)(=O)CCOCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753150577 BWWUOSPNSQWZGW-MRXNPFEDSA-N 408.480 0.020 30 20 HCED CCN(C(=O)CON=C(N)c1ccc(Br)o1)[C@H]1CCS(=O)(=O)C1 754295003 VGPHSHIXOUTXRY-VIFPVBQESA-N 408.274 0.715 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 755519953 LDHRZGLHJJGRBA-UHFFFAOYSA-N 408.480 0.705 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 757588609 NULDDNHGEFXIGO-STQMWFEESA-N 407.471 0.972 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(C(N)=O)no1 758346849 JWCRIDVBRVZVDT-CYBMUJFWSA-N 419.463 0.687 30 20 HCED CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NCCNc1ncccc1C#N 760095607 AVRVKZHTJPQXLS-UHFFFAOYSA-N 419.438 0.804 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1C 760376026 QHUQFHQAXXIXOU-UHFFFAOYSA-N 406.895 0.459 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](C)Cc2c(F)cccc2F)CC1 761038478 VOEFENCXPLFUQB-CQSZACIVSA-N 414.478 0.097 30 20 HCED C[C@@H]1CN=C(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)S1 765658572 RJBWQIZFACDIHX-ZIAGYGMSSA-N 421.548 0.861 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21)[C@@H]1CCCO1 773784147 AIJMTWQKZFRBJE-RDJZCZTQSA-N 405.476 0.171 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 773794296 UFJAMHNESVOPJK-IRXDYDNUSA-N 405.476 0.707 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)N3CCSCC3)CC2)o1 774978024 DEKTWJPPBBEDCN-CYBMUJFWSA-N 407.496 0.484 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)c1 777771029 BHIKYIFHCKJLMO-OAHLLOKOSA-N 407.492 0.308 30 20 HCED COCCn1cc2c(n1)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCC2 780437116 NMJLYZYUFXJFGC-HNNXBMFYSA-N 417.491 0.762 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CCN2CCNC(=O)C2)C1=O 781103169 NTOCGEOHPVAVPW-INIZCTEOSA-N 417.535 0.803 30 20 HCED CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 784212745 CJJIYOLIVSYOPJ-LSDHHAIUSA-N 422.507 0.321 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786367850 PQFKSKRCSKKAIG-LTDCPUDJSA-N 411.414 0.787 30 20 HCED C[C@@H](OC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)NC1(C#N)CCC1 787635956 ISAMINCIRJRLDV-CQSZACIVSA-N 421.475 0.815 30 20 HCED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787777929 NIHDITHYUZVOMR-MRXNPFEDSA-N 408.462 0.885 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2C)CC1 788887911 VURAEGQSGWPIJN-UHFFFAOYSA-N 407.492 0.227 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cccc(Cl)c2C#N)(C(N)=O)C1 798221739 DBBUDCJBVAVJRF-UHFFFAOYSA-N 414.871 0.965 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1N)C(=O)Nc1cccc(C#N)c1 800235642 QQXQYVPHIZHACE-GFCCVEGCSA-N 402.432 0.989 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)nc1 804058494 VNXDTHFYYFXUEU-MSOLQXFVSA-N 412.494 0.018 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 815718675 IKIAFUIVBOVXAR-UHFFFAOYSA-N 422.445 0.874 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCc2c(C)nc(O)c(C#N)c2C)CC1 857567794 IDMXNPLQPSUTPH-CQSZACIVSA-N 402.451 0.831 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 916868838 WGQJRARPPJQSTH-QVKFZJNVSA-N 412.446 0.632 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2[nH]nc(CCCNC)c2C#N)cc1 918757242 UFKIISTTWUNXLR-UHFFFAOYSA-N 400.464 0.597 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1Br 1212397239 KSABXYONHXDYKB-UHFFFAOYSA-N 411.285 0.945 30 20 HCED Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C=NNc1ccc(S(N)(=O)=O)cc1 1248574737 XYOLMALUZXJAGM-CQSZACIVSA-N 411.509 0.953 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1288526195 SPEKLLQMPBLYRZ-QWHCGFSZSA-N 404.500 0.505 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1296131693 LHXJZDIAYDRULB-SJLPKXTDSA-N 414.558 0.995 30 20 HCED CO[C@@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOC1 1299795989 SZCOAMGLEQWFSP-OXQOHEQNSA-N 417.514 0.398 30 20 HCED Cc1nn(CCO)c(C)c1C=NNc1ccccc1S(=O)(=O)N1CCOCC1 1318832164 BCTNQRLYHLXFPU-UHFFFAOYSA-N 407.496 0.959 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(OCC(N)=O)CC2)CC1 1319945304 MSZKNQJNRUROPQ-LJQANCHMSA-N 417.485 0.501 30 20 HCED CS(=O)(=O)CC[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 1321007842 OEFOCSLRWBXTNU-QFPXGYFVSA-N 405.476 0.848 30 20 HCED CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C#N)o2)CC1 1464531894 OMOSJBOYSWHUES-QGZVFWFLSA-N 402.476 0.815 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1562016513 KWRDHEQHODEATD-UHFFFAOYSA-N 401.533 0.704 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1611711049 JNUYPKOKCDMOSP-BBRMVZONSA-N 420.495 0.158 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1637851973 LFUQRUUTCKKTQH-CQSZACIVSA-N 424.475 0.913 30 20 HCED N#CCCN1CCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 1659634647 URKYILHONROICH-UHFFFAOYSA-N 401.467 0.987 30 20 HCED Cn1nncc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1711284037 ZJFHXUUYBNEZLE-ZDUSSCGKSA-N 404.500 0.487 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC 1764997417 SZLKLWHGVCIIND-MRXNPFEDSA-N 416.507 0.966 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060679 HKAHBZWHOPPKHW-CVDCTZTESA-N 417.550 0.999 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1779100559 XLQUATCAVITYRS-RPJKTVKLSA-N 419.482 0.701 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1779107806 ZBPVKJGEVLFJPY-QDBZWRABSA-N 421.494 0.913 30 20 HCED CN1N=C(C(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CCC1=O 1779135015 SKZDEZZPWXXKGD-XACCNFBGSA-N 415.450 0.137 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC[S@](=O)CC)C1 1779215026 BPDUOIVGINFWCN-BVIUWANJSA-N 412.552 0.697 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1779222665 ZNAKNMIKLACWRP-KKSFZXQISA-N 408.462 0.930 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779548947 OMHMBIGRRAVLRV-PRPIBZDOSA-N 403.435 0.074 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1781271671 GXFMORQHWQUDHP-CBGDNZLLSA-N 408.495 0.877 30 20 HCED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2ccc(O)nn2)C1 1781467229 WWEDAOCYWIWJCW-OXQOHEQNSA-N 401.467 0.932 30 20 HCED CC(=O)NCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2 1781795825 RPPVMMHLYMJJDD-PAIJHWHYSA-N 421.542 0.498 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961223 ICFNFALQDMIHDH-RBZFPXEDSA-N 402.426 0.652 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(=O)(=O)N1CCCC1)C2 1782197779 QNYOJRBBBKVCHA-VQIMIIECSA-N 413.540 0.502 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)CCSC)C1 1782225440 BPAINZXRCSWBRU-WOCWXWTJSA-N 412.552 0.653 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CCNC(=O)C3)C2)c1 1782270877 SEXNGJLJMIEDGX-QLVMHMETSA-N 413.478 0.540 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1c(Br)c(CC)nn1C)CCO2 1783049199 SGOAWVZTUXPSBO-KRWDZBQOSA-N 409.284 0.822 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)N3CCCC3)[C@H]2C1 1784995806 BVPIMRSTJANZMG-XWSJACJDSA-N 419.522 0.407 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(=O)CC)CCO2)C1 1785577207 VCUSGFPFSJGAGT-VFNWGFHPSA-N 421.494 0.712 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(OCC)cn3)[C@H]2C1 1785606048 FFRRWJTZGWOOQW-CVYDXHPNSA-N 416.478 0.507 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4[nH]nnc4C)[C@H]3C2)c1 1787184859 FYBBFNYVJKWYOM-WBAXXEDZSA-N 424.461 0.901 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCC4)[C@H]2C1 1788412973 PZICKWXYOQPVIN-YEWFCNIMSA-N 400.479 0.461 30 20 HCED Nc1nc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)cs1 1788601811 MXKYNOQRQYUAMX-XHYSMJITSA-N 420.539 0.790 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4C[C@H](O)CN4)[C@H]3C2)c1 1789763681 BDNWGRMRZGDIKB-JBDAPHQKSA-N 412.490 0.183 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)Cc3ccccc3)[C@H]2C1 1790953733 ZNPRWRBGSLTRDS-BWUHRYBWSA-N 414.502 0.608 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncncc4c3)C[C@@H]21 1791076953 RTEHPEDGSCEJEH-ZVZYQTTQSA-N 408.414 0.311 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(Cc3ccccc3)C(=O)OC)[C@H]2C1 1791148001 QEHQVBUCHZBQJF-FHWLQOOXSA-N 413.474 0.868 30 20 HCED C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1792516607 MYSUMLPTGJRQIJ-QEOTZNIISA-N 405.495 0.876 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)sc1C)C2 1793340931 SMVMQOQUASIYKU-XJTZBENFSA-N 405.520 0.930 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3c1CCCC3)C2 1793342892 YCYFZHUVSDNADK-AFIMGQEJSA-N 400.479 0.530 30 20 HCED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](COC(C)=O)OC(C)=O)C2 1793584158 URAHEECPEZAXGL-RPCVNMKUSA-N 410.467 0.711 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1cccs1 1794115345 TWTBETOYWFSSEB-AFIMGQEJSA-N 419.503 0.106 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)c1Cl 1795891882 IETDAVOCLPDZQF-ZSBFGKGUSA-N 414.853 0.707 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2nc3ccccn3n2)c1 1796101038 JHJVJQJIBGAFTA-XOIINTDNSA-N 405.418 0.446 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cccn3c(O)nnc23)c1 1796289069 IALFDMNDBLQUTL-YWVIFJGQSA-N 421.417 0.152 30 20 HCED Cc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1798276766 NPMRDGZNLVBAAK-SCAQPMJSSA-N 400.483 0.270 30 20 HCED C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1)N1CCN(C)CC1 1798431538 OROAQXTVJUMZQQ-JZRSKUOQSA-N 418.586 0.732 30 20 HCED CC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494589 LAUZNVPOAGKAPO-HAYTYPLPSA-N 409.487 0.601 30 20 HCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CC#N)C3)c([N+](=O)[O-])cc1O 1798594948 XFXZFIHYZUWQHR-YQYWCBKUSA-N 404.379 0.426 30 20 HCED CC(C)(C)n1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)nn1 1798694275 WSCGKZWACMBVGE-XOIINTDNSA-N 411.466 0.750 30 20 HCED COc1cc(F)c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC(=O)O)C3)c(F)c1 1799592957 GCZOAIAWLXRXHZ-XGISUXEOSA-N 408.357 0.265 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3nnc(Br)n3c1)C2 1800451713 DJHQGSOOAOIQPS-JJLQDPRZSA-N 418.251 0.328 30 20 HCED COC(=O)C1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)CC1 1800555704 FHVPXWJXXGPPPU-ALXJQNPVSA-N 418.490 0.228 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc3ncccc13)C2 1800773668 IQTBADPAAVHZAU-MFKICJERSA-N 407.426 0.455 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)OC)[C@@H]1c1cccnc1 1802496815 DFPLIPDXXWEZML-CIUPNIQXSA-N 400.479 0.981 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)c3cccc(=O)n3O)CC2)C1 1806000898 BFBRBHZGENMDMQ-INIZCTEOSA-N 401.463 0.969 30 20 HCED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)CC[C@H](N)C(N)=O)CC2)C1 1806013954 WLHGGVPBDPQZDB-KRWDZBQOSA-N 408.543 0.793 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815594849 GQTMCRGSRORWDJ-GXTWGEPZSA-N 418.454 0.545 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccnc(Cl)n3)sc2C1 1820469190 JRBYESFCUZAOJC-MRVPVSSYSA-N 405.823 0.900 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822203940 VAURNSBYJVVMKW-KPZWWZAWSA-N 406.395 0.106 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N[C@H]1CCc2nc(NC(=O)C3(C#N)CCC3)sc2C1 1828013278 NEVJUXUXTKTWDQ-GXTWGEPZSA-N 419.507 0.900 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1828875388 GCYFRGFISUECTO-GDBMZVCRSA-N 406.483 0.402 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C45CC(C(=O)OC)(C4)C5)C3)C2)C1 1829673053 FEEJCXIEEMWYKF-LZBANZJXSA-N 418.490 0.752 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C3)C2)C1 1829675019 NCHSQAFHFCEZPY-WIYYLYMNSA-N 407.511 0.714 30 20 HCED Cn1c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cccc1=O 1830054298 LAFBWGIQZLKQDD-FQEVSTJZSA-N 402.451 0.005 30 20 HCED Cn1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1Cl 1830059888 MKCFDFPEYWOSIQ-SFHVURJKSA-N 409.874 0.693 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1 1831215350 JEWXAHZKBORDRH-JOCHJYFZSA-N 412.490 0.772 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)n1ccccc1=O 1831216619 VNHHJKSBIUHAEB-HTAPYJJXSA-N 413.474 0.279 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1831495957 PTRKPWGKTIPOIF-RLFYNMQTSA-N 411.528 0.250 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1832446735 FPLMGWZUKASJBK-IBGZPJMESA-N 409.508 0.901 30 20 HCED Cc1noc(C)c1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1833068161 BYQQOLDDXUTMCF-HNAYVOBHSA-N 411.524 0.999 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)COCCOC)CC2)CC1 1833464688 NGJKXSSXRDOVOP-KRWDZBQOSA-N 409.527 0.259 30 20 HCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3ncnn3C)CC2)CC1 1833489886 VOORLLUWENLJBM-INIZCTEOSA-N 408.572 0.955 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cncc(F)c4)CCO3)C2)c1 1834360061 UYIVUNAIEJOZHV-FQEVSTJZSA-N 413.409 0.804 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834465848 UQLRCBKLNQERSA-HBRDKIMXSA-N 418.475 0.925 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C3CC3)CCO2)C1 1834609639 HUOJNLNQHKTIOL-QVKFZJNVSA-N 417.462 0.660 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(Cl)cc1)CCO2 1835060779 YQDHVYIXKMTLNX-HXUWFJFHSA-N 420.849 0.427 30 20 HCED O=C(NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1)c1nc[nH]c1[N+](=O)[O-] 1835098297 LVUWDPOGNMRBEY-UHFFFAOYSA-N 414.466 0.917 30 20 HCED CNCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835665973 SLPURHBZELKFNW-QFIPXVFZSA-N 414.506 0.822 30 20 HCED Cc1cc[nH]c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672711 IODLUAZSUJVJRH-NRFANRHFSA-N 417.510 0.675 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835789594 NRKVOAMEDYCOOG-FZKQIMNGSA-N 410.496 0.386 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cncnc3)CCO2)C1 1836046631 ALJIDJAQYDDRFW-FQEVSTJZSA-N 401.467 0.415 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520466 HWMWFALOWKAMPI-ONYHAXFOSA-N 422.503 0.978 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837310983 WOTRXJYEQGJTCP-FXAWDEMLSA-N 403.483 0.503 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1837312175 VUUICMXDBRYHER-OXQOHEQNSA-N 409.483 0.567 30 20 HCED C[C@@H](Nc1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837342276 WCCTUYISRSVIEG-IERDGZPVSA-N 415.446 0.031 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc[nH]3)C2)C1 1837396778 JPJPPGWQUIKFDU-XMSQKQJNSA-N 419.522 0.977 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559779 HDQMFTSJCHSIOQ-NSHYHEDFSA-N 421.494 0.562 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648477 KTDPCOXUXIFVLU-GHTZIAJQSA-N 417.510 0.564 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nccn3)C2)C1 1837665947 PQJRNEJYNDMPTQ-HXUWFJFHSA-N 405.499 0.727 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)Cn4cncn4)CC3)CC2)c1 1837965474 BXHYBBCRLVWAKC-UHFFFAOYSA-N 411.466 0.790 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccn1 1837976772 GOVFUSMQOAOSRG-HXUWFJFHSA-N 400.435 0.464 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(CC)n3)CCO2)C1 1838131248 BDDIVJCIBXBZEQ-QRWLVFNGSA-N 407.467 0.898 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838825441 VXMADKVIWWFBAV-AUUYWEPGSA-N 420.422 0.031 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1839840190 ZTXDUZDCOCFXAT-IIBYNOLFSA-N 403.479 0.668 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1839890932 CFRLNJHRAKMJNL-GQPJMJRUSA-N 402.394 0.685 30 20 HCED CCC[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)n1cccc1 1840041688 CELKRSRLNHVPEP-LAUBAEHRSA-N 417.462 0.374 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c[nH]c4nccc-4c3)C2)C1 1840160085 WEWUSYHNOXYEMJ-YJYMSZOUSA-N 404.492 0.903 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1840161743 YVLMGTHYFHXFGL-SUNYJGFJSA-N 409.512 0.052 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840449719 IZZDRYYFXWMAJV-VGOFRKELSA-N 413.474 0.719 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498740 YHXPCXJNBWQRKP-OAQYLSRUSA-N 401.463 0.590 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1840801410 BFZNHGSSWLTWLO-LJQANCHMSA-N 410.471 0.271 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](O)c4ccccc4)C3)C2)CCC1 1840812717 GTNXXXHXKJDQAI-PGRDOPGGSA-N 413.474 0.870 30 20 HCED O=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1840832947 BPSYNYXHBRVEHZ-QFIPXVFZSA-N 418.490 0.121 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842806642 PCHWRKMQBRRIIR-CQSZACIVSA-N 406.483 0.769 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)c1cc(C#N)c[nH]1)C2 1845438649 KJLRSZJAPGUTNX-AWEZNQCLSA-N 403.439 0.546 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1846998500 CYVAOYFVLIMNQY-JKSUJKDBSA-N 405.495 0.831 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CNC(=O)c1ccc(C)cc1 1847264978 KTHIBVCNBHLUAB-IDPBEMBBSA-N 424.501 0.785 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(C)=O)cc1 56139838 RWVCCGUCSUTKIS-MRXNPFEDSA-N 400.522 0.729 30 20 HCED N#Cc1ccc(N2CCN(CC(=O)NCCOc3ccc4c(c3)OCO4)CC2)nc1 60480271 ICLZMIQUUHSVLH-UHFFFAOYSA-N 409.446 0.999 30 20 HCED CCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C[C@H](C)C#N 140406350 JIKDOHLEGMXJSC-MRXNPFEDSA-N 408.524 0.805 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 410409954 GCUHYQIDIZRHSU-INIZCTEOSA-N 410.544 0.902 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCn3ccnc3C2)cc1 427047057 SBTLOGNLIQEZEK-HNNXBMFYSA-N 417.491 0.759 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC 427686887 SVCSMOQOJYAIOJ-RYUDHWBXSA-N 404.423 0.468 30 20 HCED COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 434651335 AYKBDKXGBCEVDV-GOEBONIOSA-N 420.491 0.916 30 20 HCED C[C@H](C#N)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 436725809 RUGMWSIQHVGJDP-CQSZACIVSA-N 419.507 0.897 30 20 HCED C=C[C@@](C)(CCOC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 437612534 HGRDIBYMVACATJ-IBGZPJMESA-N 410.540 0.878 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)c1C 438760851 YQHIPZNZJASPMD-UHFFFAOYSA-N 409.512 0.536 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CN(c3ccccc3)C2=O)cn1 441337858 VOMZZWUGROPFHM-INIZCTEOSA-N 401.386 0.609 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C(=O)Nc1ccccc1 460604819 DIRXFEVRUMKVFX-AWEZNQCLSA-N 417.429 1.529 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccc(NS(C)(=O)=O)c1 465121587 NFKDXPQZBLDFBE-CQSZACIVSA-N 414.491 1.000 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1C(N)=O 465499584 ZNWGLWVCRGIWDK-CYBMUJFWSA-N 400.464 0.655 30 20 HCED COC(=O)c1cn(C2CN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)nn1 466916077 PIPUCVUMQHJWHX-UHFFFAOYSA-N 407.394 0.914 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccc(C)cn3)c2=O)cn1 474324601 BCSGYEYDGYHKJP-UHFFFAOYSA-N 420.498 0.601 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CCO1 499675504 LDIARBZYTOHYOF-BBWFWOEESA-N 418.475 0.105 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)NCc2ccccc2CN2CCOCC2)C1=O 499938478 GMIQOVNNZGNMHK-HXUWFJFHSA-N 400.523 0.854 30 20 HCED COc1cc(CNS(=O)(=O)c2ccc(C#N)nc2)ccc1OCC(=O)N(C)C 507400975 DQQMMJLIPXOLIU-UHFFFAOYSA-N 404.448 0.907 30 20 HCED Cc1csc([C@@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 507730724 CYZKRSDPGZQOMF-LBPRGKRZSA-N 415.523 0.934 30 20 HCED C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508788259 BWHOSBZSBXRAET-UHFFFAOYSA-N 411.445 0.529 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 509428456 DJYGVEQHMCILJQ-OAHLLOKOSA-N 400.526 0.780 30 20 HCED N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cn1 509660918 HZMNVOGHPNONHD-SFHVURJKSA-N 414.443 0.768 30 20 HCED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1COC[C@H]1O 512153269 RSGGPZAWQODJAA-HUUCEWRRSA-N 401.423 0.146 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2cc(OC)c(OCC)c(OC)c2)C1=O 515887897 YIAWFJWHPMYYIS-HNNXBMFYSA-N 419.478 0.964 30 20 HCED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 519047933 JJSBUUUCUGKTCF-UHFFFAOYSA-N 423.429 0.792 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 521468194 IZTCLJNMNJNCPJ-KRWDZBQOSA-N 400.479 0.722 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(Cn4cncn4)cc3)CC2)n1 546196361 DAXZHGDRDZRNGM-UHFFFAOYSA-N 416.445 0.880 30 20 HCED Cn1c(=O)c2cc(NS(=O)(=O)c3ccc(C#N)cc3Cl)cnc2n(C)c1=O 546565699 DPMYZDRPIJADLB-UHFFFAOYSA-N 405.823 0.958 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 546779397 GMYXWSIBBRDMEC-UHFFFAOYSA-N 401.444 0.306 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1CC(C)C 549549895 ZYBWZRFCXINMQA-UHFFFAOYSA-N 403.508 0.048 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1[C@H](C)c1cccs1 551921300 PFUSGWOWLPORJB-GFCCVEGCSA-N 413.528 0.872 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCCC1 553282307 ZKIQSIYGCFOFGF-UHFFFAOYSA-N 418.475 0.934 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCCOC[C@@H]3CCCO3)CC2)n1 559473465 OQYSIEPENWMHGU-KRWDZBQOSA-N 401.467 0.304 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)cc(Br)c1C 564193481 IIGFVJWEUDLGPG-UHFFFAOYSA-N 418.269 0.852 30 20 HCED COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)n1 565513488 BXHHCDMTPPPHBZ-GFCCVEGCSA-N 404.448 0.954 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 566729570 PVGGYHNFUMCIJJ-AWEZNQCLSA-N 419.457 0.321 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1S(N)(=O)=O 566998112 RDRZEFAKMAGNSI-UHFFFAOYSA-N 414.443 0.420 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 568919012 RXTVGZGBFNEVPO-CABCVRRESA-N 412.560 0.764 30 20 HCED CN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 573150178 DEDWEJWYSDVKIR-NSHDSACASA-N 400.254 0.905 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCNC(=O)c3cc[nH]n3)cc2)ccn1 574947316 XKYCQLZYOQSHFH-UHFFFAOYSA-N 419.401 0.953 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1 581220050 ISOWDXGKTFPNMC-UHFFFAOYSA-N 413.459 0.216 30 20 HCED Cc1cc(NC(=O)C(=O)N(C)CCn2cc(Br)cn2)nn1CCC#N 582748549 DHYBGQCNMRFNCI-UHFFFAOYSA-N 408.260 1.161 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)cc2)ccn1 589400691 USZRURDSHWTJBO-UHFFFAOYSA-N 403.420 0.479 30 20 HCED CN(C)S(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 589448213 MVFMRVFEHARUHO-UHFFFAOYSA-N 417.447 0.692 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CC1 590997041 QTGQNRAYHIYGSQ-UHFFFAOYSA-N 413.499 0.909 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 609992513 IEPQRANGOVXUJQ-VIFPVBQESA-N 408.208 0.959 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 611581519 ONIXYAUVIKPFSS-CYBMUJFWSA-N 410.482 0.815 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3NC(=O)CS4)CC2)cc1 618674011 VWKBRMAGNZMPDH-UHFFFAOYSA-N 416.488 0.903 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCCN2CCCCCC2=O)cc1 727009976 HMCJVBPYBCKCEN-UHFFFAOYSA-N 414.462 0.740 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)c3c(c2)OCO3)CC1 728532385 YDKAGOIVIJKZKG-UHFFFAOYSA-N 408.252 0.685 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 728590159 UJCPKSBSWQQXRA-UHFFFAOYSA-N 420.535 0.727 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1OC 729435771 ZHZHXTOCJVWTNO-DOTOQJQBSA-N 416.478 0.565 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 733184930 UYYKCTYLSPHERI-CYBMUJFWSA-N 415.537 0.787 30 20 HCED COc1cc(OC)cc([C@@H](O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 735757672 IGVYEBRSFOCJNR-FWSRSQSESA-N 404.423 0.563 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](CN2CCOCC2)C1 742104901 NMTHWUKVTNPGCQ-INIZCTEOSA-N 420.535 0.686 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)c1 753988927 DCFPLFYFIHTTRI-KRWDZBQOSA-N 407.492 0.505 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 755495209 XDABYBQLYMLBRQ-HNNXBMFYSA-N 422.507 0.929 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 756313110 BXPIFFAZSKSGAN-MRXNPFEDSA-N 413.478 0.683 30 20 HCED N#CCOc1cccc(CC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 760639855 HCCIHLJSOUUULG-UHFFFAOYSA-N 403.416 0.961 30 20 HCED COCC1(NC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 765838664 LFZXOKWKCMYQEH-QNGOZBTKSA-N 408.480 0.733 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 774518536 MAHNTAWAEWXBIE-AWEZNQCLSA-N 416.459 0.942 30 20 HCED C#C[C@H](NCC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O)[C@H]1CCCO1 775786470 WXHGABJKXOTILW-YRNRMSPPSA-N 400.435 0.264 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)n1 782823617 YCGRCQUTDPJMBC-ZDUSSCGKSA-N 414.809 0.999 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 783453973 YTPNNMHPZBYOJL-UHFFFAOYSA-N 419.441 0.894 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC(C)C 784869052 SFILEJKARHLUMB-UHFFFAOYSA-N 405.476 0.758 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](Cc2ccc(F)cc2)C(N)=O)c1 785128284 HFCBLJKDWYKOFV-QGZVFWFLSA-N 404.419 0.991 30 20 HCED C#CCNc1nc(N[C@@H]2CCC[C@@H]2C(=O)NC)nc(N[C@@H]2CCC[C@@H]2C(=O)NC)n1 804586954 SVNZFSYNCVIXBH-BYNSBNAKSA-N 414.514 0.570 30 20 HCED COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 805591332 RHJPLTUKEUNMDL-JSGCOSHPSA-N 406.414 0.928 30 20 HCED CN(C)C(=O)c1cccc(CCNC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 807592424 BBVGYQCVGCHFFW-UHFFFAOYSA-N 408.462 0.542 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)cc1 816682215 RXKFBVFFQOXEGZ-MRXNPFEDSA-N 405.520 0.923 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 816757406 RKPTZFKBSAYKIE-LSDHHAIUSA-N 415.537 0.891 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N/CCCn3nc4n(c3=O)CCCC4)NC[C@H]2C1 849086787 UDCQATDLIDYJRH-HNNXBMFYSA-N 419.530 0.652 30 20 HCED CCCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 915827026 AOZOCGGUSMHRJH-UHFFFAOYSA-N 420.535 0.534 30 20 HCED COCCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916693376 MAOUIBMQTQRTOS-QNGOZBTKSA-N 411.484 0.384 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)nc1 918475690 AYAPYKUDWOHAOW-UHFFFAOYSA-N 403.406 0.216 30 20 HCED COC[C@@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1116248545 UQIHRWOIQBNYEX-AUUYWEPGSA-N 402.407 0.458 30 20 HCED N#CCCN1CCN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 1222053402 RFSVAUVPIWYCLF-UHFFFAOYSA-N 413.544 0.200 30 20 HCED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)cn1 1298810951 IKJICLSBVQIBGQ-SFHVURJKSA-N 402.434 0.403 30 20 HCED CN1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1318037455 ORAIIBXJKXLVNQ-IBGZPJMESA-N 423.517 0.924 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1359474262 PHHFXZGAOONVFN-OWCLPIDISA-N 424.527 0.900 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)C[C@@H](C)O1 1464129209 ZGELIVOVNLWCKJ-MDZRGWNJSA-N 410.540 0.959 30 20 HCED CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCCC2)C1 1505139781 SGQOHASRQVOJLG-JKSUJKDBSA-N 424.527 0.530 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)CCO1 1620355431 JOHUJWHMCLEXDA-OAHLLOKOSA-N 403.468 0.104 30 20 HCED CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 1621753392 PDJBOIRAXCLBMO-UHFFFAOYSA-N 416.544 0.731 30 20 HCED C[C@H]1CN(c2cccc(CN(C)S(=O)(=O)N(C)CCC#N)c2)S(=O)(=O)C1 1663075884 SHVCIJXMASKINW-AWEZNQCLSA-N 400.526 0.995 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1668258168 YVZPZKCFMVVVMH-JKSUJKDBSA-N 402.469 0.853 30 20 HCED CC(C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1706203089 OGFFZWMAZVEELC-MRXNPFEDSA-N 412.498 0.952 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1744750749 IQDFIUQDCWDLKG-KRWDZBQOSA-N 423.477 0.390 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)C1 1751277393 KLHDQSNZYLGHNF-QGTPRVQTSA-N 409.512 0.462 30 20 HCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1769498560 WMZVWWWMTHCRPZ-UHFFFAOYSA-N 407.438 0.882 30 20 HCED Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cnn1C 1779062450 KGJUMMUCQLSAKV-JOCHJYFZSA-N 414.506 0.871 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780593528 AESSHONKMCZXMX-MGPUTAFESA-N 419.503 0.682 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1780739532 LHVIOINBUIALSX-OXQOHEQNSA-N 419.482 0.301 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCO3)c(C#N)c1 1781170864 BOUDGPPDBYKRKG-OAQYLSRUSA-N 409.446 0.976 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1781390452 IUKGEGYTPPPTSL-AUUYWEPGSA-N 406.439 0.330 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)Cn4cncn4)C[C@@H]32)cc1 1783603538 KWRCGDIKROIDMV-FHWLQOOXSA-N 408.462 0.372 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C[C@H](N)c3cccnc3)C[C@@H]21 1784479560 FKYWQEZTNZACIS-HTDHLNIYSA-N 414.506 0.490 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cc(C)cn3)C[C@@H]21 1784481785 WULZTBSQJVVBER-GFEQUFNTSA-N 402.495 0.771 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnc4c3OCO4)C[C@@H]21 1784504577 RUFDASKDJRZCIW-OTRWWLKZSA-N 417.462 0.995 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnn4c3OCCC4)C[C@@H]21 1784505398 MOYWQOQIJUZGHE-FZCLSBEQSA-N 418.494 0.850 30 20 HCED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1784596220 CHMOIRBWWLGGBX-PQECVOETSA-N 404.467 0.190 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CS(C)(=O)=O)CCO3)C2)c1 1785075874 JLXKHGCXFWONPA-MGPUTAFESA-N 419.503 0.802 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@@H]1SC(=N)NC1=O 1787492306 CUNUYDCVOVFHDV-YLVYSCNESA-N 418.519 0.182 30 20 HCED CSc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c1O 1789247601 XFCOULHUQVKYGM-QEJZJMRPSA-N 418.471 0.795 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCCN(C)C3)[C@H]2C1 1789740178 GUZPMSBXXPXDLX-HVMFNXBNSA-N 407.555 0.881 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCC3=O)C[C@@H]21 1789890137 ABDFCZODWQCTRE-ULQDDVLXSA-N 421.494 0.098 30 20 HCED CC(=O)NCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1790873372 HMXDETHVPXAWMN-FADSCQCHSA-N 424.498 0.021 30 20 HCED O=C(CC1(O)CCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1791821632 SUPXPRMWSMDJMD-FOYLYBJLSA-N 423.510 0.800 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)C2 1792567490 NMRHQLNMICQEMS-VJIMBVTCSA-N 417.554 0.119 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C[C@](C)(O)CC(=O)O)C2 1792569741 MKUZGBOMKWYEOB-XCVQAFEFSA-N 407.467 0.099 30 20 HCED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1793584807 PZVIMQYFXMFSNM-JONQDZQNSA-N 418.450 0.986 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1COc2ccccc2O1 1793839130 JILZKCUOIKWEJW-HGDKKCICSA-N 414.458 0.454 30 20 HCED Cc1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)on1 1793889938 MCTVAZKKXJMBNV-VTJZSFSSSA-N 403.483 0.587 30 20 HCED CN(C)c1ncc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/N2CCCCC2)C3)o1 1794602111 VAIMSWFGSBUTDW-XVAHYZHKSA-N 418.498 0.416 30 20 HCED Cc1noc(N)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795572183 ZKHSCVFTWKVKBM-DXHGZXRVSA-N 421.454 0.297 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1CCC(O)CC1)C2 1795602366 LFGRQXGPSZCVMU-FTBCFXLSSA-N 406.527 0.409 30 20 HCED N#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cccc(N3CCCNC(=O)C3)n1)C2 1795855678 IUIWQIMPNOTTRT-BJWYYQGGSA-N 424.505 0.963 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(F)(F)C(=O)O 1796348250 CLJYKRAUJQYVPS-YWVIFJGQSA-N 404.410 0.669 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc3c(c2)NC(=O)CO3)CCC1 1797452303 WPSINLQVFBNPCH-CCWDJLKJSA-N 424.457 0.915 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2cncc2c1 1797501842 ZZNPLQRTDJQBBB-YGHZTVRRSA-N 423.473 0.396 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nccnc1C(N)=O)C2 1798397112 VSWZZLHEYVLQBT-CRWXNKLISA-N 401.467 0.400 30 20 HCED CC(C)(C)n1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C2(C#N)CCC2)C3)nn1 1798709817 JOGUFLOYXAVUGD-MIFYACCESA-N 400.483 0.930 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(-c2cnco2)c1 1799648022 SUAVDQLIJDTGCX-CWPLJXCYSA-N 409.398 0.633 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)Cn2cncn2)C3)c1 1799801903 QRPVYIPCWSHNPU-GEALJGNFSA-N 422.489 0.998 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2)C(F)(F)F 1800549307 WZOHOQGHPKFVOI-GNXNZQSNSA-N 417.344 0.499 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)COc1ccc(O)nn1)C2)C(F)(F)F 1800550984 BQAFSANOFGJDDQ-QHBPRCKVSA-N 416.356 0.269 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1800985365 FDJSVYCUZISLTK-GUDRVLHUSA-N 417.329 0.704 30 20 HCED O=C(/C=N/N1CCCCC1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccncc1=O 1801255394 VBCNQTASFCDXGV-GRBDKDGDSA-N 400.483 0.353 30 20 HCED C=C(C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2)C(F)(F)F 1801702280 YRRMGMFQNLEPKQ-JGPRNRPPSA-N 410.356 0.788 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(OC)OC)[C@@H]1c1cccnc1 1802478603 USPKVBJGFBTPSY-CBVOVTJASA-N 416.478 0.565 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1c1cccnc1 1802481677 LGUHVODZPQCXJZ-GFCSNGQLSA-N 422.489 0.993 30 20 HCED O=C(Cn1ccnn1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1807681721 HDLIFTPETSNUSQ-BHSAALAHSA-N 424.509 0.851 30 20 HCED O=C(COCCO)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1808613586 KWZOQOKCVLIHFX-RDRJKUMFSA-N 414.462 0.808 30 20 HCED O=C(Cn1nccn1)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1808947047 OFYWPKVRIIKCDU-XCGZVVKWSA-N 424.509 0.851 30 20 HCED CN(CC(=O)NC[C@H]1CCN(C(=O)C(C)(C)C#N)[C@@H]1c1cccnc1)C(=O)C(=O)O 1812387240 KKIJDJSZCTWTHD-GDBMZVCRSA-N 415.450 0.180 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc3nncn3c2)[C@H]1c1cccnc1 1812880065 GOQUOLWLJLBUKS-YWZLYKJASA-N 418.413 0.532 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1812880934 VBWQRSCCWIGQPC-IERDGZPVSA-N 409.446 0.758 30 20 HCED C#CCCC(=O)NC[C@H]1CCN(C(=O)CNC(=S)NCC)[C@@H]1c1cccnc1 1814108724 CDFRQNKMUXVYJN-VQIMIIECSA-N 401.536 0.985 30 20 HCED COCc1oncc1C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1817804940 NDOGEYOSPVQHRN-SECBINFHSA-N 404.404 0.591 30 20 HCED C[C@](O)(C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)C(F)(F)F 1822197962 YHDAQMICRQLIHR-BMIGLBTASA-N 402.329 0.803 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](N)CCC(N)=O)CC1 1826818209 WWCXMTVCZRURSL-BPQIPLTHSA-N 406.527 0.237 30 20 HCED C[C@H](C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1(C#N)CCC1)CC2)n1cnnn1 1826988746 YKZMYXTYZKANMQ-GHMZBOCLSA-N 400.468 0.997 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc3n(n2)CCCO3)CC1 1828614802 KMXZUAGNVKZPTL-KRWDZBQOSA-N 414.462 0.987 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cnn(C)c4)C3)C2)C1 1829666471 FLYLABKHSJNOKT-OAQYLSRUSA-N 402.495 0.775 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3)C2)C1 1829769513 XBFGIPUNUAHVGB-FMFFHWJCSA-N 413.474 0.615 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](O)c2ccco2)CCO3)c1 1829825849 MZSBZXZEHLLBOK-YLJYHZDGSA-N 414.418 0.283 30 20 HCED CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)COC1 1829896063 KFDFBVPUQGYFIN-JOCHJYFZSA-N 413.474 0.594 30 20 HCED COc1ccnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)c1 1830058247 RTLBIPKEUXEBMW-HXUWFJFHSA-N 402.451 0.710 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)cc3)CCO2)C1 1830349326 GCEVTSFCPOJJEE-IFXJQAMLSA-N 410.492 0.546 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(=O)CC)CCO2)C1 1831191261 KORRLGQCYXZYGQ-RDTXWAMCSA-N 417.453 0.569 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(C(C)C)n3)C2)C1 1831386160 AHAAGRHWQKLBRG-KKSFZXQISA-N 419.478 0.906 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1831386715 IZPAUHWGLGYFMW-LIRRHRJNSA-N 410.467 0.996 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C)nc3O)C2)C1 1831396629 HJZVIVFIZAXVIY-HRAATJIYSA-N 417.462 0.204 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)c3)C2)C1 1831397591 SYICUFZQTMIVIV-VGOFRKELSA-N 416.474 0.804 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCN1C(=O)OC(C)(C)C)CCO2 1832049545 FPIUBJMCVNNOKQ-FOIQADDNSA-N 407.467 0.085 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]1F)CCO2 1832121954 BJGJRBHCSXKVME-CCZZRBHGSA-N 413.446 0.330 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1832457530 RYKAPGADMIOPBX-LJQANCHMSA-N 424.523 0.418 30 20 HCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1832468281 IEXFGJLWBVAIHT-DENIHFKCSA-N 412.490 0.413 30 20 HCED COc1ncccc1CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1833004389 DPAFKOBZYPNFKM-FOIQADDNSA-N 423.535 0.798 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)CC1 1833518784 NVIBNWKZUFXGRA-JKSUJKDBSA-N 406.527 0.108 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@]2(CN(C(C)=O)CCO2)C1 1835195849 GAAJYDCZECGKCB-UZLBHIALSA-N 411.499 0.932 30 20 HCED Cn1ncc2cc(C(=O)N3CCOC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)ccc21 1835356488 ALQOBNRPENUJRR-OAQYLSRUSA-N 411.462 0.947 30 20 HCED Cc1cc(NC(=O)CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)no1 1835357339 SXKDNZXNNUREPM-LJQANCHMSA-N 419.438 0.072 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)[C@@H](O)NC(=O)OCC)CC3)CC2)C1 1835641956 JUTVJSBAIBCKHK-LJQANCHMSA-N 422.526 0.589 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCCC3)C2)C1 1835672680 HHFHBZOKXZAXHQ-OAQYLSRUSA-N 406.527 0.915 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](NC(C)C)C(C)C)CCO2)C1 1835892811 IJTHDIDZZAPEOW-XQBPLPMBSA-N 423.554 0.504 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1Cc3ccccc3CN1)CCO2 1836498969 PLDQATCHWQHQHN-QPPBQGQZSA-N 423.513 0.571 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1837306118 UEWNTLHRASQIER-DNVCBOLYSA-N 410.540 0.838 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3cn[nH]c3)C2)C1 1837528743 OAHJBDCLQHNNEI-WTRRFELYSA-N 421.454 0.009 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1 1838755793 LZAWWCUHCMZXBL-NRFANRHFSA-N 415.494 0.517 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1839763011 NUCSJJUHSGPQSE-FQEVSTJZSA-N 419.478 0.480 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@H](C#CC)c3ccc(O)cc3)C2)C1 1839810958 YZIPSSGRHVHABP-WMZHIEFXSA-N 410.470 0.979 30 20 HCED Cc1c(Cl)cccc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840040796 YJQWJPHHUAMLMZ-HXUWFJFHSA-N 420.849 0.806 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[nH]c4nccc3-4)C2)C1 1840159871 PQWSVQBZLXSGOG-DJJJIMSYSA-N 404.492 0.903 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ncnn4c3)C2)C1 1840161486 QHCVKZDFQCWSHK-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1840167650 DRXHRZBOPCJKSF-NRFANRHFSA-N 401.463 0.964 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3Cl)C2)C1 1840168203 DISCXCSRWUPBSC-LJQANCHMSA-N 408.886 0.947 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](O)CCSC)CCO2)C1 1840194826 HBQYXXYMBXHRSU-MDZRGWNJSA-N 416.540 0.148 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840883711 GKNIDPIAUSNRAQ-HXUWFJFHSA-N 407.467 0.336 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)c2nc3ncccn3n2)C1 1843718817 FEMVHTQXMUZWKE-UGVMZYNRSA-N 413.438 0.470 30 20 HCED CN(CC(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1Cl)C2)C(=O)C(=O)O 1845810432 SIPVGWGVTQXNAA-UHFFFAOYSA-N 418.837 0.572 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O 1847809298 RONUMMUJCGMMCX-YXWQFLTLSA-N 408.524 0.973 30 20 HCED CCN1CCN(Cc2ccc(C/N=C(/N)NCCCN3CCOCC3)cc2)CC1 303868947 ARNPNTQDLSNXPO-UHFFFAOYSA-N 402.587 0.951 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCCCN2CCN(c3ccccc3)CC2)CCO1 409558542 QCFSIVMHJIKKBN-IBGZPJMESA-N 407.540 0.648 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CCO1 409579873 DSVYGACEIPUEFG-IRXDYDNUSA-N 408.480 0.154 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 433890799 OHLXTHFHELRPSF-CYBMUJFWSA-N 404.434 0.980 30 20 HCED CNS(=O)(=O)CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 440173522 ZZEZZQSTMIEJSO-UHFFFAOYSA-N 407.452 0.688 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)C1=O 440252055 DTMCKCJXACQJHE-LJQANCHMSA-N 414.506 0.745 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1=O 440282681 NGIGAEDPENVSOD-OAHLLOKOSA-N 411.455 0.554 30 20 HCED Cc1cc(NC(=O)C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)nn1CCC#N 442492949 GYCBXZUTNHYAOX-JOCHJYFZSA-N 424.505 1.139 30 20 HCED N#Cc1ccc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1O 442966440 OKUWMAYTVPLREQ-QGZVFWFLSA-N 407.492 0.615 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccnn1Cc1ccccn1 446527040 OOBSXBYTHCBKTO-UHFFFAOYSA-N 411.466 0.339 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cn1 460660456 SQKJDJNDFVLYEQ-AWEZNQCLSA-N 408.422 0.140 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(Cl)c2)c(=O)n1C 461366122 MVQWVJKSMGOIDU-UHFFFAOYSA-N 407.879 0.374 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1cccc(S(N)(=O)=O)c1 464861507 CCCJGVFFLGJNEA-ZDUSSCGKSA-N 415.479 0.145 30 20 HCED CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465456980 GHNWMSWCLQKLSE-DOTOQJQBSA-N 420.539 0.980 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(S(=O)(=O)CC)c2)CC1 466406177 VZMGYBGSHALHJA-UHFFFAOYSA-N 408.524 0.610 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1nnc(-c3ccc(C#N)cc3)o1)C2 467290042 GMXYFFMTKQALJD-UHFFFAOYSA-N 408.422 0.070 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(c3c(C#N)c(C)nn3C)CC2)c([N+](=O)[O-])c1 472441239 VZGJYMHLAQJOFW-UHFFFAOYSA-N 419.467 0.743 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCn3c(O)nnc3C2)CC1 475106383 BMEOHPXHBIDCSY-UHFFFAOYSA-N 424.421 0.268 30 20 HCED C[C@](O)(CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)CN1CCOCC1 476266278 YIUVHFQWKUBVGZ-RXVVDRJESA-N 400.479 0.249 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2C(C)C)c1=O 478762616 OBLNDELOYAEQCE-CQSZACIVSA-N 417.535 0.751 30 20 HCED N#CCNC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 480468081 IMILHPHFYHEFKT-UHFFFAOYSA-N 421.523 0.749 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)c1noc(CN(C)C)n1 481281275 FKBSHELVPNSCBR-GFCCVEGCSA-N 420.495 0.721 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(C#N)cs2)c1=O 481975307 VOTDOLHCPWBVFE-UHFFFAOYSA-N 402.526 0.458 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 485408393 QDTNATPWMISECV-ZIAGYGMSSA-N 401.492 0.519 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(CS(N)(=O)=O)c3)C2=O)cc1 485994754 UGVYYDWQDNDEKH-SFHVURJKSA-N 412.471 0.878 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1=O 500028258 XSNHRJBAERQPIJ-CQSZACIVSA-N 400.888 0.645 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 502554905 NCQGMGUVHPIQOU-UHFFFAOYSA-N 413.478 0.826 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1 505002546 IVRDRWYQSCBJID-MRXNPFEDSA-N 405.480 0.712 30 20 HCED COCCN(CCN(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505503243 NIZLGGYBYUWEEG-KRWDZBQOSA-N 401.467 0.800 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nnc(O)n4c3)CC2)cc1 513962659 BXUQRQUDTSQSPC-UHFFFAOYSA-N 412.431 0.453 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 516608388 NOPBUTKHFRIXTM-CYBMUJFWSA-N 418.397 0.506 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC(N)=O 524282933 TUPTXNZNKGNBMP-UHFFFAOYSA-N 413.499 0.912 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c(Cl)c1 532609096 CMWHRMNUIJOGQY-UHFFFAOYSA-N 407.839 0.640 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)cc1 535846690 LUBGNCTZMWUKOT-UHFFFAOYSA-N 404.452 0.722 30 20 HCED C[C@@H]1CN(CCOC2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)C[C@@H](C)O1 539105525 FWQDPZVUOZGDIT-HUUCEWRRSA-N 405.499 0.050 30 20 HCED CN(C)CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540560353 MZILNDBBADUVBA-QGZVFWFLSA-N 418.567 0.163 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)n(CCC#N)n1 542596622 GPKBVKCBICFDPY-UHFFFAOYSA-N 415.542 0.920 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@@H]2C(N)=O)c1 548574772 BSCXKXKBEVIZAX-BXKDBHETSA-N 416.253 0.660 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 557360424 SMKNKMIESAPKEF-UHFFFAOYSA-N 423.389 0.892 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 558986390 KYOUHVBWEHZNFT-INIZCTEOSA-N 409.454 0.448 30 20 HCED CC(C)Cn1c(=O)nc(O)c2c(C(=O)NCC(=O)NCC#N)cc(C(C)C)nc21 561394051 BOKQLOJWBPWJHY-UHFFFAOYSA-N 400.439 0.646 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 561647920 VVNKTYXHMJXVDB-CYBMUJFWSA-N 406.443 1.429 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCC(=O)N2CCCCCC2)n1 571846454 WMKCBYNNNMUICL-UHFFFAOYSA-N 409.450 0.986 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CCOc3ccccc32)CC1 573907646 RNXWZINKJSVYJN-MRXNPFEDSA-N 400.479 0.115 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)CC1 584255129 VNXNPEYLEHNTIU-INIZCTEOSA-N 406.433 0.953 30 20 HCED CN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588869193 JAXJQLJHUPPGSP-UONOGXRCSA-N 412.368 0.157 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1C 590983213 OOEHBZXSTOYOFV-UHFFFAOYSA-N 419.478 0.640 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)CC1 592359271 ZHMJTEPOZZTHKW-GOSISDBHSA-N 400.479 0.683 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 610807106 JPSSIAIVTHRXRX-DOTOQJQBSA-N 419.551 0.510 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CCN2C1=O 613160998 IRTMBPBRURAMKG-CQSZACIVSA-N 408.422 0.948 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2noc(-c3ccc(OC)cc3)n2)C1=O 726043120 QEKRCOSRIYDFHV-UHFFFAOYSA-N 400.347 0.765 30 20 HCED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734572624 FDYVGANGTLXWAD-YVEFUNNKSA-N 417.443 0.601 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 737097597 PHBXXXBMVVOLQU-UHFFFAOYSA-N 416.463 0.169 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)ccc2C(=O)OC)CC1 751108822 ZDXVBDYDWZPPKK-UHFFFAOYSA-N 411.455 0.058 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)O[C@@H]3CCN(c4sccc4C#N)C3=O)cnc21 751635327 AJIWXOSJPOXGQL-GFCCVEGCSA-N 411.399 0.930 30 20 HCED N#CC1(NC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CCCCC1 753654224 MUQVBSAZPDTASZ-ZDUSSCGKSA-N 424.479 0.038 30 20 HCED C#C[C@@H](CC)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 754379098 HELOLIWDDUDRGU-DZGCQCFKSA-N 420.940 0.950 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758069450 PQIMOJWHMBCUQT-UHFFFAOYSA-N 407.451 0.111 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)[C@H](C#N)C1 758775683 KWJWCTIXYBOKSH-ZIAGYGMSSA-N 415.516 0.422 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 759052427 MXGGCODLRIPSAO-UHFFFAOYSA-N 406.508 0.481 30 20 HCED C[C@H](NC(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCCC1 762735449 ASADGEULVWVPDE-ZDUSSCGKSA-N 410.496 0.244 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 765355288 ZYYHESHXKRYHJP-UHFFFAOYSA-N 411.506 0.498 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O 768707658 TZINNMGYJPFYDI-BLVKFPJESA-N 408.455 0.821 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 772956671 CKZTTYSAYMKIJC-UHFFFAOYSA-N 401.485 0.581 30 20 HCED COC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 775942081 NUVZSNLAIOXQDG-GOSISDBHSA-N 403.458 0.919 30 20 HCED CN(CCCC(=O)NS(=O)(=O)CCCC#N)S(=O)(=O)c1ccc(F)cc1 776124012 VMWAKIIBDABXBK-UHFFFAOYSA-N 405.473 0.976 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1 777277382 FXVWRYVMBPXPTL-INIZCTEOSA-N 418.450 0.971 30 20 HCED Cc1ccc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1S(=O)(=O)NCC#N 777506157 ILYIOBYFHGLJNH-OAHLLOKOSA-N 409.464 0.449 30 20 HCED N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 780203359 BNTRIHXSYZYNHI-GOSISDBHSA-N 417.443 0.141 30 20 HCED COCC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)C1CCOCC1 780226996 IVNRGAQFBPEUAR-UHFFFAOYSA-N 411.528 0.859 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 783014392 OHYQNUJOOZWQGD-AWEZNQCLSA-N 421.475 0.294 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)c1 783452815 KTHAJYKBGOGEAZ-UHFFFAOYSA-N 410.434 0.568 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)NC2(C#N)CCC2)C1 784199881 QNYHTMPBWIJZPS-CQSZACIVSA-N 424.479 0.798 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccc(-n2cncn2)cc1 785396432 JMSZWMXDLLNVBW-CQSZACIVSA-N 404.434 0.939 30 20 HCED Cc1nc(Cn2nnc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c2C)no1 786382136 QNQIIVOOHIJDFR-UHFFFAOYSA-N 401.408 0.458 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 794646362 XHKSHTFRHJIBJD-HNNXBMFYSA-N 423.450 0.950 30 20 HCED C[C@@H](CC(=O)NCCN1CCN(C)C(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 799743820 CBNSRJLPTWUREM-HNNXBMFYSA-N 421.567 0.646 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2=CCCOC2)cc1 807519650 NXEJLSCKJRYYPJ-XLNRJJMWSA-N 420.491 0.901 30 20 HCED C#CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 808293736 BAMSFBQPVSECNO-UHFFFAOYSA-N 416.521 0.800 30 20 HCED CCc1ccc(C#CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 814543886 CVEDFLMWCFXCEJ-SFHVURJKSA-N 424.544 0.262 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)C[C@@H](C)O1 816758186 JVYBFPLUGSLOSD-XJKCOSOUSA-N 411.480 0.595 30 20 HCED CC[C@@](C)(CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 821572620 KRODQIMIWXNCKY-IGCAKMCNSA-N 410.496 0.715 30 20 HCED CCOCCCn1c(NN=Cc2cn(C)c(=O)n(C)c2=O)nc2ccccc2c1=O 839404544 CWOCFULLRMNRKU-UHFFFAOYSA-N 412.450 0.667 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 853232849 ISKBJNRLKZQHFN-ZDUSSCGKSA-N 420.491 0.437 30 20 HCED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 915477952 ZEZXSKWWKQJDLJ-AWEZNQCLSA-N 423.491 0.845 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)Nc2ccccc2Cl)n(C)c1=O 916911011 UDAWIPLKZNAZNJ-JTQLQIEISA-N 414.809 0.435 30 20 HCED CN(C(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C#N 920718099 XTTOWISEJXTJFK-UHFFFAOYSA-N 412.424 0.567 30 20 HCED C=CCNC(=O)NC(=O)CN1CC[C@@]2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@@H]12 1107477005 YXLFIAFBSSDTIM-ZTOUCDPISA-N 416.522 0.782 30 20 HCED COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)COc1cccc(Br)c1C#N 1129890321 XZBHVHHMYYUZEL-ZDUSSCGKSA-N 424.251 0.980 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCC(N4CCCS4(=O)=O)CC3)cc2)c1N 1161695235 WJMNRKPIIGDHKB-UHFFFAOYSA-N 414.491 0.966 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCC(CO)(CO)CC2)c(C#N)cn1CCOC 1216502200 MUQBWODOUHNWNP-UHFFFAOYSA-N 408.455 0.782 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300824816 XXNAPJQUPJDFTC-NSHDSACASA-N 420.333 0.948 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1303642212 VLHGCEWFAMWNDI-GJZGRUSLSA-N 411.528 0.850 30 20 HCED Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 1314900216 NFRQKDLSZLMTDD-SUMWQHHRSA-N 407.475 0.945 30 20 HCED CSc1nc2nc(C)c(CC(=O)NCCN/C(O)=C3/N=CC=CC3=O)c(C)n2n1 1318396006 XNGUJCYDOYDELM-NXVVXOECSA-N 415.479 0.648 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cn1 1318613226 TVYGGJDLJRMKLL-OAHLLOKOSA-N 402.480 0.621 30 20 HCED C=CCn1c(O)nnc1SCC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 1319104925 UVLLLZUSEULXKZ-NSHDSACASA-N 412.497 0.765 30 20 HCED C#CCOCCN(C)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1323093331 GGTDXGZZXGWPRN-GOSISDBHSA-N 407.536 0.798 30 20 HCED CN1CCN(c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)CC1 1338910035 OGTKWVOFYQKHJU-HNENSFHCSA-N 413.482 0.159 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1359474899 YIJGMWJXXSYEEE-MNOVXSKESA-N 422.433 0.455 30 20 HCED Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1361264713 RMWCMGRPMGSDJN-KGLIPLIRSA-N 421.527 0.682 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1505140164 UELFFKHEELJSQD-CPUCHLNUSA-N 412.491 0.648 30 20 HCED C[C@@H]1CCCN(C(=O)CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1522838595 CSZTXENXLFVIMJ-CQSZACIVSA-N 406.508 0.880 30 20 HCED COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1554930969 VPVILSLIKUTLNG-BBRMVZONSA-N 420.495 0.674 30 20 HCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1593908755 PVEYLGFINHLFMS-UHFFFAOYSA-N 403.874 0.809 30 20 HCED CCN(CC)S(=O)(=O)CC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 1654531257 SAHREOVHGVUSII-UHFFFAOYSA-N 419.301 0.841 30 20 HCED N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)CCN1Cc1ccccc1 1667234638 JAIXJNPMCJKODB-MSOLQXFVSA-N 411.549 0.851 30 20 HCED CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695867911 IPSCOEYQRFAHGX-WMZOPIPTSA-N 413.530 0.433 30 20 HCED CCN(C)C(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1745879507 ZBRJECQYKPKCQR-CYBMUJFWSA-N 411.532 0.497 30 20 HCED Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)c(=O)n1C 1761782387 QQKVNSJXECRRLS-UHFFFAOYSA-N 403.446 0.808 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1777802987 WDMCPXMATUHZJG-YLJYHZDGSA-N 419.503 0.387 30 20 HCED O=C(COC(=O)C(F)(F)F)N1CC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1778891316 GOESZPHZVCFQJM-GFCCVEGCSA-N 424.269 0.822 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066768 FXQVCJAUEUCACS-GCJKJVERSA-N 405.539 0.855 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779135672 CTDBGMKAOOWBJQ-VWKKKLCGSA-N 419.482 0.236 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779315217 CMOZJBFURDYWIZ-DENIHFKCSA-N 413.474 0.019 30 20 HCED 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C[C@@H](Oc1cccnc1)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835348099 PYWFJABWLWEMOP-IERDGZPVSA-N 414.462 0.609 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CNC(C)=O)CC2)CC1 1835717815 NKJKPCUKKDHAJY-SFHVURJKSA-N 408.543 0.267 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835734776 JDDCMDQVXOIBJF-IIBYNOLFSA-N 424.542 0.028 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3cc(Cl)ccn13)CCO2 1836370410 LJFMZCYCRATVAP-LJQANCHMSA-N 402.838 0.691 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836902240 YBOVTASLIFMVRS-DLBZAZTESA-N 423.510 0.667 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccn4cncc34)CCO2)C1 1837113508 HXFXQRXLFGDNTG-IFXJQAMLSA-N 404.492 0.723 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838474182 DCHIIZXEQHHSJB-OAQYLSRUSA-N 413.430 0.294 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3C)C2)C1 1839224364 QWGHBBJXWJHBDY-BEFAXECRSA-N 407.471 0.291 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1F)CCO2 1839968985 QHXLKBBLDRUILW-HXUWFJFHSA-N 405.426 0.965 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840160109 WZMGFUOPHJNDFN-SUMWQHHRSA-N 412.537 0.343 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1840173081 AUTXUKFNVCQWLW-HXUWFJFHSA-N 403.435 0.514 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842157225 JCHQUQJKBGZZGG-UHFFFAOYSA-N 400.435 0.507 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cccnc2C(N)=O)C1 1842158274 VEROOLGOYUFXAV-UHFFFAOYSA-N 419.441 0.948 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)[C@H]1SC(=N)NC1=O 1843406539 HLFUCHHEOKUWGQ-ILEZELHHSA-N 417.491 0.704 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)c(C(F)(F)F)n1 1845065514 JRKCTRDBRMYVGW-JSGCOSHPSA-N 423.395 0.512 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)Nc1cc(C)on1 1847261269 FFBVDDHYTPMFSI-VQGNRHNMSA-N 415.450 0.372 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1cccc(C#N)c1 1847470256 XUQBKMGPOCWPKI-AABGKKOBSA-N 412.490 0.844 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2c(c1)NC(=O)CS2 1847805086 SEQFEIBTQLBHAG-KCXAZCMYSA-N 414.487 0.980 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O 11555164 NXBONGKFIHQISY-XIKOKIGWSA-N 407.448 0.817 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1 143310281 VAYPOUNCUKZQDX-QGZVFWFLSA-N 400.460 0.705 30 20 HCED COCCCS(=O)(=O)NCC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 432903036 IQCXCYZPXRFOBW-UHFFFAOYSA-N 422.507 0.691 30 20 HCED C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS(=O)(=O)C1 433466709 CIHOAKWAHIKBPN-PBHICJAKSA-N 404.492 0.735 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(-c4cnn(C)c4)nn3)CC2)c1C#N 434057488 DHISLFGEEITUIT-UHFFFAOYSA-N 406.454 1.145 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)ccc1OCC(N)=O 435642541 VVWAOJOQRBHWCZ-UHFFFAOYSA-N 400.366 0.825 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ncccc2C(F)(F)F)C1=O 437813491 ADOHJEYOWUGUIU-UHFFFAOYSA-N 400.313 0.572 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)Nc2cccc3cccnc23)nn1CCC#N 439177478 HULFWBNMAPMTCN-UHFFFAOYSA-N 405.418 1.347 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 439539528 DIMNHXUMBBXNRY-AWEZNQCLSA-N 407.496 0.370 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(CC(=O)Nc2ccccc2OC)CC1 441640588 AWLSLYCBGYZQFH-OAHLLOKOSA-N 403.483 0.652 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 442132732 UMDOWTKPDGTERS-MGNBDDOMSA-N 421.360 0.593 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1nnnn1CCOCC(F)(F)F 447294685 HGMHCYXJFWLGGW-GFCCVEGCSA-N 411.392 0.624 30 20 HCED C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460726596 MZAZTBAQSWOTRX-UONOGXRCSA-N 409.450 0.983 30 20 HCED C=CCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 480934635 MFIGPPWYIFMVHR-UHFFFAOYSA-N 401.510 0.890 30 20 HCED COC(=O)c1cc2c(cc1NC(=O)C(=O)N(CCC#N)CCCN(C)C)OCO2 487800087 JYYHIQZZGOAYSR-UHFFFAOYSA-N 404.423 0.834 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1 499561087 MKMPSWQOXWSQHE-AWEZNQCLSA-N 410.496 0.550 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1=O 501443463 ANGHIZPEXLWEQV-HNNXBMFYSA-N 417.441 0.929 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 501590797 CPGLLMBMQXEMLX-HNNXBMFYSA-N 423.495 0.970 30 20 HCED COc1cc([C@@H](C#N)NC(=O)c2ccnc3c(C(N)=O)cnn23)cc(OC)c1OC 502962181 RSQQRXVUKDHMMO-GFCCVEGCSA-N 410.390 0.849 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)NCc1cccc(C#N)c1 506948801 YHRBMJHRNRLJSE-UHFFFAOYSA-N 423.458 0.883 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1 509017452 RJBDQGYWMQDKGC-UHFFFAOYSA-N 402.798 0.962 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)n1 512755841 LTWCYRZIEKDIDB-UHFFFAOYSA-N 410.365 0.961 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 514229153 AZNCEGHGMURTDU-ZWKOTPCHSA-N 403.435 0.928 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 516828424 KDQITWABEHZBRJ-UHFFFAOYSA-N 409.515 0.377 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(C3CCN(C)CC3)c2=O)cc1 518715357 GEJQFURINJDLDR-UHFFFAOYSA-N 410.543 0.988 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 519657352 IFSWLCQXZKEDNH-UHFFFAOYSA-N 411.506 0.581 30 20 HCED CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 520996411 BTYKNTRCSOGCFH-UHFFFAOYSA-N 406.508 0.980 30 20 HCED COc1ccc([C@@H](CNC(=O)Cn2cnc(C#N)n2)N2CCOCC2)cc1OC 533182916 ZRQDKEXCHSQZFR-OAHLLOKOSA-N 400.439 0.357 30 20 HCED CC(C)CN(C(=O)[C@H](C)n1cnc(C#N)n1)c1c(O)nc(=O)n(CC(C)C)c1N 537301398 FTRBEFGNRRVPEI-LBPRGKRZSA-N 402.459 0.900 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 548289409 PTOIPCUEXKLCIP-OAHLLOKOSA-N 406.467 0.741 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)C2=O)cc1 550892150 PMODZNZOCYMJLQ-YJBOKZPZSA-N 406.446 0.567 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 552761230 LGELRIZBMSCQAU-OALUTQOASA-N 416.522 0.692 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(Cn3cncn3)cc2)cc1 561161352 UQLZFWUCOHNCDW-UHFFFAOYSA-N 410.459 0.793 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCSCC2)c1 564467627 JEWHIPNLJIPZIZ-INIZCTEOSA-N 422.532 0.403 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)cc1 566380702 TZEAYCHJJHITJK-LBPRGKRZSA-N 404.370 0.116 30 20 HCED CCCNC(=O)CN1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 574254838 OKKPIFFROHXPLG-UHFFFAOYSA-N 413.526 0.775 30 20 HCED CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 577024321 QXJQWVSVOMVPKS-MRXNPFEDSA-N 422.493 0.968 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@H](C)S1(=O)=O 577991063 NXYVYNQUHAOGSI-STQMWFEESA-N 416.463 0.502 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2nccn2CCc2ccccc2)C1=O 581215623 PTDSPMPYSQWBHU-SFHVURJKSA-N 409.490 0.987 30 20 HCED Cc1ncc(S(=O)(=O)N[C@@H](Cc2ccc(CC(=O)O)cc2)C(=O)O)cc1C#N 589974747 CJQGPTFVMBRNTE-INIZCTEOSA-N 403.416 0.863 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1 600876745 GYUSYOLYULDXND-UHFFFAOYSA-N 405.462 0.346 30 20 HCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(CC(=O)N(C)C)c1=O 604269138 XEILMWMOFUVVHA-UHFFFAOYSA-N 424.526 0.432 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 609029583 KVIJAGKKGDAVCI-UHFFFAOYSA-N 424.461 0.800 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOC[C@@H]3C#N)c(Br)cc21 610266946 UUQKFGJZXKJDNL-VIFPVBQESA-N 415.269 0.553 30 20 HCED CCOC[C@@H](O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 613161676 BJGHHJMSFQWJBZ-KRWDZBQOSA-N 413.482 0.994 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725957141 VOMYEUTXROYGJY-QINHECLXSA-N 405.426 0.999 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCCN(CC)CC)cc2)CC1 728530732 QACCETZEQBGLBV-UHFFFAOYSA-N 400.523 0.914 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 728967559 OWKXLLYYLYAPSC-WHOFXGATSA-N 416.883 0.698 30 20 HCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C=NNC(=S)NCCCN(C)C 731928209 FVWANYAJGSTRMT-AWEZNQCLSA-N 400.574 0.609 30 20 HCED O=C(CNS(=O)(=O)c1ccc(Cl)s1)NCCN/C(O)=C1/N=CC=CC1=O 732154967 VXTVMEUQVXIQIR-YPKPFQOOSA-N 418.884 0.322 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)CC1 747993288 DCDSWGBNVMIJOV-UHFFFAOYSA-N 421.457 0.578 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)s1 750396354 YOHGIFPUEOPSED-QWHCGFSZSA-N 412.489 0.971 30 20 HCED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ncnc2[nH]cnc12 754380671 VLPVRXVPIXLCIS-GFCCVEGCSA-N 400.443 0.761 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 758575667 RWYGVQLOMDHWMX-MGPQQGTHSA-N 419.486 0.798 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(CC)[C@H](C)c2ccc(F)cc2)CC1 761031394 RFYLIWXKGOKOEK-MRXNPFEDSA-N 410.515 0.820 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 761092755 YKQOXOJGMMJAGJ-UHFFFAOYSA-N 417.441 0.433 30 20 HCED COCC#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 762797230 PQXJHKAYVGMLEB-UHFFFAOYSA-N 413.448 0.531 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCNC(=O)c1ccncc1 766280772 XSVIOINFSHXSJF-ZDUSSCGKSA-N 402.432 0.593 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cn(CC(=O)C(C)(C)C)nn1 766977845 MOIBVMXEPXXMTC-UHFFFAOYSA-N 405.436 0.892 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CCCO1 773789279 LHGMYAKWHXTEAC-HOTGVXAUSA-N 418.475 0.393 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)[C@H]1CCCO1 773795633 WGXOIZRVUJUMOY-GOEBONIOSA-N 410.434 0.784 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC(C)(C)O)c1 773900699 NNKQJZITGQPIET-RCCKNPSSSA-N 410.496 0.715 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cccc(C(=O)OC(C)(C)C)c2)c(=O)n(C)c1=O 777887327 FXLAQILOUDVGCL-UHFFFAOYSA-N 422.463 0.352 30 20 HCED N#Cc1ccc([C@H](O)C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 780909452 PFJWMKPVVXOSIY-INIZCTEOSA-N 404.404 0.595 30 20 HCED C=CCS(=O)(=O)CCN[C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 783533333 YJSZSIATWGJOPG-OAHLLOKOSA-N 402.538 0.959 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 783544843 FSXVKSHRXAMYPQ-NSHDSACASA-N 401.466 0.978 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 783617074 XWUBQUFCSFZBHR-UHFFFAOYSA-N 404.510 0.250 30 20 HCED N#CC1(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CCC1 785405950 JMQIOHRMOIECRK-UHFFFAOYSA-N 407.448 0.896 30 20 HCED C[C@@H](OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 787610844 GZUKJQMSJRPDHK-GFCCVEGCSA-N 404.448 0.561 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4ccc(F)c(C#N)c4)CC3)ncnc21 792308051 XLSCPINBJICYQC-UHFFFAOYSA-N 423.408 0.880 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(=O)N(C)C 792424217 DCLQTDFCOIIKMS-DRPFOCBESA-N 423.495 0.031 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)CC1(C#N)CC1)/N=C1/NS(=O)(=O)c2ccccc21 793205294 VJPIBDGAZBZRLM-NSHDSACASA-N 410.477 0.253 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)O)C1=O 798560790 MLUIUYBGZZXBOU-TUKIKUTGSA-N 416.883 0.698 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)C(C)(C)C 807537085 ZOQMJLZXALEWEL-ZWKOTPCHSA-N 413.474 0.804 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCCO1 809313841 VKDVXPVETCNOEH-WOJBJXKFSA-N 411.502 0.977 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)n1 809496877 YKSBKRZVKBFCTJ-UZLBHIALSA-N 420.535 0.662 30 20 HCED CNC(=O)OC[C@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 813726792 HFJYGRYFYHDCNZ-UKRRQHHQSA-N 408.480 0.962 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 916529707 HPWPOTWMZQPAEW-UHFFFAOYSA-N 411.418 0.951 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 916871358 SFCSAABKLFKRDS-DOTOQJQBSA-N 407.492 0.949 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](CO)CC1CCOCC1 1321194967 TVCKKLKBQHPMPM-YOEHRIQHSA-N 409.508 0.766 30 20 HCED CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NS(=O)(=O)CC(C)(C)C#N 1323472207 OIYWWBOEJFASIO-GFCCVEGCSA-N 416.525 0.975 30 20 HCED CCOC1CC(O)(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)C1 1502965534 WZFZNAFYLRSIQJ-JPLFBADVSA-N 421.498 0.589 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1503258149 LNFIQLLQJMTVFK-UHFFFAOYSA-N 416.507 0.920 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1503832529 ZUQIXOCSYOJHGR-AWEZNQCLSA-N 404.496 0.981 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1507868716 NUOTYYXZIDKQIA-KBPBESRZSA-N 401.920 0.454 30 20 HCED CC(C)(C)n1ncnc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1508622932 PJEOETJOYPSQOI-CQSZACIVSA-N 413.486 0.524 30 20 HCED C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1541847427 UATZZRBWBVSEOB-CABCVRRESA-N 422.493 0.871 30 20 HCED 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SQGPMUZZSPHLNC-RHSMWYFYSA-N 421.461 0.840 30 20 HCED Cn1cc(CCC(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)cn1 1812878255 FQWMWEXRWACUNH-UWJYYQICSA-N 409.446 0.542 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc3cn[nH]c3cn2)[C@H]1c1cccnc1 1812879756 CYLGCLMFVOZDSY-XOBRGWDASA-N 418.413 0.761 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)C2CN(C)C2)[C@@H]1c1cccnc1 1813602656 PXHSUIIEKXEDPQ-ZVYDBLGCSA-N 411.506 0.507 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@H]1CCc2nc(NC(=O)c3nc[nH]n3)sc2C1 1816032279 KWUNTYAHFHXGFV-JTQLQIEISA-N 404.452 0.996 30 20 HCED O=C(Cn1cnnn1)Nc1cc([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)[nH]n1 1817615083 GVLVXGGOJSUEMO-PZUDMAOCSA-N 414.474 0.560 30 20 HCED COc1nn(C)cc1C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822199694 WHZNSJCUZQTTOW-ZDUSSCGKSA-N 400.395 0.546 30 20 HCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CNCP(=O)(O)O)[nH]n2)CCC1 1823375071 MUOCDPKRVNPDOF-CYBMUJFWSA-N 424.398 0.820 30 20 HCED N=C(N)NCC(=O)N1CCC([C@@H]2CCCCN2C(=O)C#CC2(O)CCCCC2)CC1 1828948649 YDEHOWCQSUFNNM-SFHVURJKSA-N 417.554 0.788 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc5ncccn45)C3)C2)C1 1829668321 KNTWTNFHSGADDL-OAQYLSRUSA-N 411.462 0.766 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)n4ccccc4=O)C3)C2)C1 1829669163 QDBUFGFWCHENTN-VGSWGCGISA-N 415.490 0.832 30 20 HCED C[C@@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1829806511 FQYVFFQFEFYFDW-DYESRHJHSA-N 415.494 0.752 30 20 HCED COC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1829940523 NHIZRKHAJFEDQX-YUSOBQLHSA-N 407.467 0.580 30 20 HCED Cc1noc(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830053031 DVNVYCHTTBKESM-HXUWFJFHSA-N 404.467 0.840 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCC1CCC1)CCO2 1831058333 CICHCNWCJOWJSG-QZQRZDCMSA-N 419.522 0.882 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1831388790 XLDGTHVLJGVLCX-QKLQHJQFSA-N 408.495 0.032 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1831421419 JSKCBMTWBAUTLV-FOIQADDNSA-N 420.466 0.146 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)[C@H](C)CC)CCO2)C1 1831512107 LOKHFRDQOZEIOQ-WOYCLPQFSA-N 412.527 0.423 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccn(C)c4=O)CCO3)C2)C1 1831881067 JVJVECDUEPHSLR-NRFANRHFSA-N 401.463 0.422 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H]3CCCCO3)CCO2)C1 1832343840 GDEJTVCVFVDJCV-SPEDKVCISA-N 424.538 0.975 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833062911 GRKNYHACEJYEBM-OAHLLOKOSA-N 414.641 0.925 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccc(C)n3)CCO2)C1 1833092058 CYJQQDJOCCRVGC-GOSISDBHSA-N 412.437 0.859 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ncnn3C)CC2)CC1 1833463303 FCYNFJJJPRUSEY-OAHLLOKOSA-N 402.499 0.039 30 20 HCED CCc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1Cl 1833592140 DJJWVJTZTLMFDE-SFHVURJKSA-N 409.874 0.620 30 20 HCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)n[nH]1 1833820561 HBCVROQEZOGOLJ-HXUWFJFHSA-N 400.435 0.096 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3ncnn3C)CC2)CC1 1834074508 IZIUHPXZMJCIMJ-QGZVFWFLSA-N 418.542 0.573 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834161957 RMUJWJGGTARMSX-DYESRHJHSA-N 420.510 0.372 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n(C)n1 1834165409 LTUXMHZXLWCFCL-QFIPXVFZSA-N 423.473 0.984 30 20 HCED CN1N=C(C(=O)N2CCC(N3CCC(NC(=O)CCC#N)CC3)CC2)CCC1=O 1834602697 KQCKSVDSVZAAHQ-UHFFFAOYSA-N 402.499 0.470 30 20 HCED CC(C)(C)OC(=O)N1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1834759940 CCACJBZEBICDRH-FQEVSTJZSA-N 422.482 0.223 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)n(C)n1 1835344371 ANJKBGTZVSGRNG-FQEVSTJZSA-N 401.467 0.356 30 20 HCED C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)n[nH]c21 1835356888 ATLUPYGIFFEOCQ-VLIAUNLRSA-N 401.467 0.833 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1835361209 FSBFJVKYYLFTCH-LJQANCHMSA-N 418.406 0.674 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1835675297 MMVJILRUKUEEPV-IBGZPJMESA-N 405.455 0.026 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1835686413 AHUDABLSXVWUOK-JXFKEZNVSA-N 401.467 0.642 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cncnc4)CCO3)C2)c1 1836052605 FGNOVJNYCGCNQJ-NRFANRHFSA-N 424.461 0.379 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CS(C)(=O)=O)C2)C1 1837306167 VNNCUCOKNKSYSX-QFBILLFUSA-N 414.524 0.256 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)/C=C/c4cnc[nH]4)C3)C2)c1 1838741801 BTCLJXZGYSNLDA-ZGTHZTNPSA-N 410.434 0.393 30 20 HCED COc1cc(OC)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c1 1838933592 WDRBTIYRMZBXAU-FQEVSTJZSA-N 403.435 0.687 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1839651490 HAIDEHWEEIAHOV-IIBYNOLFSA-N 418.494 0.783 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)ncc1[N+](=O)[O-] 1840160842 UYLIQPAUXZULED-ACJLOTCBSA-N 424.479 0.687 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840386541 BEQUSOLUMCZIEZ-NRFANRHFSA-N 415.494 0.732 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(F)CCCC=C1F)CCO2 1840951560 NNMXRXBKQTZBPR-OALUTQOASA-N 412.389 0.276 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2 1844240177 WNFPILKDUQGHOR-LBPRGKRZSA-N 411.549 0.623 30 20 HCED COC(=O)c1sc(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C(=O)OC)c1C 11458313 WXPMSLDQUDPHJD-UHFFFAOYSA-N 420.403 0.001 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)N3CCOCC3)CC2)cc1 18661852 NCXQLKXITFISNI-UHFFFAOYSA-N 421.475 0.361 30 20 HCED COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27104228 XLRROGRSGVQHAQ-ZDUSSCGKSA-N 416.438 0.789 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 28675247 VLWUJMAQRZCGIK-AWEZNQCLSA-N 419.459 0.959 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1=O 29494924 OUMJJRSWRXQBMH-UHFFFAOYSA-N 401.379 0.115 30 20 HCED C=CCNC(=O)[C@H](C)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 52115497 HIACTBDQKJVDBA-HNNXBMFYSA-N 409.508 0.845 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2[nH]c(C)c(C(C)=O)c2CC)c1=O 63429628 MAUJBKZZWNNUFY-UHFFFAOYSA-N 400.435 0.828 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 107651436 IWSINPHCYCJFCG-UHFFFAOYSA-N 420.473 0.708 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 430410409 WIHCKEHPWISAMC-KSZLIROESA-N 406.527 0.239 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCCCN3CCN(CCO)CC3)cc2)c1N 432522755 IPRLYNJRRPCNBJ-UHFFFAOYSA-N 411.510 0.446 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1Br 432885054 QXCSTWITKSLXND-UHFFFAOYSA-N 413.253 0.683 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(C)(C)C#N 433303162 ZVXMFPBRQSKLBJ-UHFFFAOYSA-N 403.508 0.873 30 20 HCED COCCN(Cc1nnnn1CC1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 434645653 LQMKFVPGSSQVQJ-UHFFFAOYSA-N 420.495 0.809 30 20 HCED COC(=O)C[C@@H]1CN(c2ccc(C#N)c(N3CCO[C@H](CC(=O)OC)C3)n2)CCO1 436393697 VBPPWHMIRGDZPH-HZPDHXFCSA-N 418.450 0.490 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCNC2=O)CC1 439604940 WIMWTZPHDUQABV-CQSZACIVSA-N 419.507 0.631 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 464860859 RBTIRCGDPVMPKK-CQSZACIVSA-N 414.491 0.901 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1nc(O)c2ccccc2c1=O 465260823 BHEUEENVKRJEGW-AWEZNQCLSA-N 419.445 0.891 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCn4cnnc4C3)nnc12 471868341 CAJHYDNGAGBQKM-UHFFFAOYSA-N 422.474 0.956 30 20 HCED C=CCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)S(=O)(=O)c1ccc(OC)cc1 475886225 ZWXKYXCGZWTXAG-MRXNPFEDSA-N 409.508 0.999 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 480954832 BMEQCUFPMRUZAG-UHFFFAOYSA-N 423.479 0.661 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCN3C(=O)NC4(CCCC4)C3=O)C2)nc1 490238495 CYWUYGHKQUSOIM-OAHLLOKOSA-N 412.450 0.981 30 20 HCED COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(c2ccc(C#N)cn2)CC1 497475386 QIQKCBMXRWMUKM-UHFFFAOYSA-N 422.489 0.992 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C(=O)NC)cc1 498687734 VLTSFOAKAPPUIH-CVEARBPZSA-N 422.507 0.463 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)c1 503885764 PJFKZKHYXITHBL-GDBMZVCRSA-N 424.475 0.718 30 20 HCED CCN1CCN(CC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)C(=O)C1=O 508019932 ZIWYPWZZSQQLEJ-ZDUSSCGKSA-N 404.423 0.084 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508956525 QMHVFMONWHMQFR-UHFFFAOYSA-N 401.515 0.445 30 20 HCED Cc1nnc(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C#N)c1C 511856149 ADWIPICTYXSUHG-CQSZACIVSA-N 409.537 0.389 30 20 HCED C[C@H](Cn1cncn1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512535879 DNCLWFCYSANTOF-CQSZACIVSA-N 403.468 0.254 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 516732992 BNUIUXBYBYJDLI-UHFFFAOYSA-N 423.477 0.624 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccnc3-n3cccn3)CC2)c1 518069812 MQBBTYFZEHENQR-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CC(C)CNC(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 522798482 NJKXCICPEAEFDF-MRXNPFEDSA-N 424.548 0.852 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccccc3C[C@H]2c2nnc(C)o2)C1=O 524110991 MHWZYOZMOZFZOV-HNNXBMFYSA-N 409.402 0.981 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 525010994 UUTOVNQFZBZJLM-MRXNPFEDSA-N 416.507 0.697 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 527030460 PUZSWCJEUZXNMJ-UHFFFAOYSA-N 417.535 0.751 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 541360108 DBFUBMULJPYMFM-KRWDZBQOSA-N 416.478 0.703 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)cc1 546087437 FUPUZEYFHIINPR-UHFFFAOYSA-N 412.425 0.819 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 550454920 FOKLYEAFLIOROV-IBGZPJMESA-N 413.522 0.680 30 20 HCED COCCN(C)CCN1C[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1=O 552106892 UNMOXJGVFYRXDV-KRWDZBQOSA-N 410.478 0.653 30 20 HCED CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)CNC(=O)c1ccc(C#N)cc1)CC2 552547247 SXJRZCWVTSGIRA-UHFFFAOYSA-N 419.488 0.701 30 20 HCED CN(CCc1cnccn1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 554691286 DHUFUKIGRQBWDQ-GOSISDBHSA-N 406.446 0.661 30 20 HCED CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 554694104 COIOOQHODRHYPG-RBUKOAKNSA-N 411.506 0.574 30 20 HCED CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 562899711 VONODNUOHUPXOD-MOPGFXCFSA-N 411.506 0.623 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(F)c3)C(=O)C2)c1 571695707 NBPOXXZFZJLLCL-UHFFFAOYSA-N 416.434 0.851 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 578548689 GNRGWEPUGIVWEO-MRXNPFEDSA-N 408.524 0.547 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1nnnn1-c1ccccc1 580178733 QCBLCSVIEYMJNU-UHFFFAOYSA-N 421.417 0.814 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 584255130 VNXNPEYLEHNTIU-MRXNPFEDSA-N 406.433 0.953 30 20 HCED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(C2CCC2)C1 588825793 LXJJZKOVQYXIDF-LSDHHAIUSA-N 415.542 1.024 30 20 HCED Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(C#N)n4)CC3)C2=O)n(C)n1 589458915 OMIYTWXNTPLYBU-SFHVURJKSA-N 407.478 0.949 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCCSC 590995568 JPMBKCDJJFMKQK-UHFFFAOYSA-N 418.500 0.820 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 603986273 QREXTOWZENGFKM-UHFFFAOYSA-N 420.472 0.331 30 20 HCED Cc1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)cc1S(=O)(=O)NCC#N 609156815 YLAYCGQHKBAHFO-UHFFFAOYSA-N 422.488 0.374 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 609686669 RFQKSZMKEGCYJD-FQEVSTJZSA-N 412.538 0.796 30 20 HCED CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC1 610807671 NAQXYSAZOMRKOO-YOEHRIQHSA-N 406.508 0.988 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 610955611 FZOGKESJLZKVOD-UHFFFAOYSA-N 422.466 0.267 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2cccnn2)CC1 685534749 PNVRMJACVIZNMK-AWEZNQCLSA-N 406.516 0.581 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725953061 RXTXMVHVONDZSB-COXVUDFISA-N 405.426 0.952 30 20 HCED N#CCNC(=O)COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 731238063 VLRMNIAVMFOEMH-UHFFFAOYSA-N 411.436 0.089 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1 731344108 PTSDLKWBIUFNFN-UHFFFAOYSA-N 424.505 0.870 30 20 HCED CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C#N)nc2)C1=O 734600574 FFWYEDNGDNOTKI-HXUWFJFHSA-N 407.386 0.999 30 20 HCED CCc1nnc(S)n1CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743668680 OQRYMTCXQYVNMA-NSHDSACASA-N 422.536 0.763 30 20 HCED CN(C)C1CCN(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748747451 SEVGENHJJSHCBX-UHFFFAOYSA-N 421.567 0.648 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC#N)CCN2CCOCC2)c1 749370132 CPMCGPSVBHGLJG-UHFFFAOYSA-N 404.492 0.286 30 20 HCED C#CCOCCC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 755423146 SRHFKNCQNZZRAR-AWEZNQCLSA-N 400.478 0.130 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 757580209 UMRDZCJODBPDHS-DCFQSUQFSA-N 403.439 0.778 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 761031739 BGRYDUPZDVMIIL-CQSZACIVSA-N 422.334 0.818 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCNC(=O)c1ccc(O)cc1 761035276 GTACRJHTIXQYMN-UHFFFAOYSA-N 400.366 0.918 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762934366 BZQLHSSGJNJABO-OLZOCXBDSA-N 424.479 0.004 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)c3ccsc3)CC2)c1=O 764953227 DWGWVQSCXCFHKC-INIZCTEOSA-N 417.535 0.942 30 20 HCED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 768735302 RKSWRJDYLDLXSM-SFHVURJKSA-N 411.480 0.324 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cc(S(=O)(=O)CC)ccc1O)c1cc[nH]n1 772435702 QUVDPHJFPAASMJ-UHFFFAOYSA-N 424.435 0.831 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)COc3ccccc3C#N)ccc21 774917819 ADTURHAJDAIBIU-UHFFFAOYSA-N 400.416 0.633 30 20 HCED Cc1nn(C)c(N2CCN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1C#N 788043743 HSSKLRFRUZLUNT-UHFFFAOYSA-N 409.406 0.884 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 790843411 FZBMBEWGUQICPA-UHFFFAOYSA-N 414.484 0.727 30 20 HCED Cn1cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)c(=O)n(C)c1=O 792586902 LAEQPVCACMUJEN-INIZCTEOSA-N 401.854 0.760 30 20 HCED C=CCN1CC[C@@H](N(C)CN2C(=O)C(=O)N(CCc3ccc(OC)cc3)C2=O)C1=O 799142362 RABXTYUYEAXAAK-QGZVFWFLSA-N 414.462 0.705 30 20 HCED C[C@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 801293131 RNTDSFSEZLWRPT-FUEZWAHWSA-N 409.446 0.153 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)c1cnnn1C 803264601 SIDCQESKRWMGRJ-HXUWFJFHSA-N 409.402 0.706 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CCCO1 805036351 XSPQJXLKAQZBBZ-MOPGFXCFSA-N 418.538 0.124 30 20 HCED COc1cc(OC)cc([C@H](O)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 810419767 NSBDBYQGNJKXKX-GOSISDBHSA-N 419.459 0.704 30 20 HCED O=C(NC1CC1)OC[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 813271180 HAZCPZRRTDXALH-AWEZNQCLSA-N 420.491 0.995 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)c2cncc(C#N)c2)c1 813980800 MNWZIJFAIICZKO-UHFFFAOYSA-N 404.404 0.205 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 815849249 JNDDOQDZKJXHSS-GJEKEPIOSA-N 408.480 0.685 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)c1ccccc1 821708495 RDHMNPDKVFDKKL-UHFFFAOYSA-N 401.400 0.225 30 20 HCED C=CCn1cccc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@@H]1n1ccnn1 990896259 IFKZXNTXAQLNEF-KOCLDHPWSA-N 422.489 0.871 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1c(C)c(C)nn(C)c1=O 1004862289 LGTXDIRIKURLIQ-MTSZKFMLSA-N 400.479 0.850 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1006196421 RMDSBKGMRIOGTG-SUJAAXHWSA-N 404.467 0.158 30 20 HCED C#CCNC(=O)[C@H](C)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1105717630 VLKLJXYZTLTJLG-GIRNWQOFSA-N 401.507 0.240 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1 1116481966 AGKLRVAXBOTCOC-QINHECLXSA-N 417.487 0.764 30 20 HCED Cn1cc(C#N)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1126633821 XFEBQHDCIHMWGG-UHFFFAOYSA-N 403.464 0.884 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N4CCCOCC4)CC3)CC2)o1 1196632721 XTBZPGKDYAHTDA-UHFFFAOYSA-N 416.526 0.690 30 20 HCED CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)CCOC1 1314112653 KOLMKMFJBGHEKC-RBUKOAKNSA-N 422.461 0.231 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cc3ccccc3NS(C)(=O)=O)CC2)c1C#N 1320781129 CFHSDIOLXWLLMJ-UHFFFAOYSA-N 416.507 0.863 30 20 HCED C=CCN1CC[C@H](N(C)Cn2nc(C[C@@H]3CCS(=O)(=O)C3)n(C)c2=S)C1=O 1327011993 DVRVGCQFYHKKOH-KBPBESRZSA-N 413.569 0.604 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1501190724 LHXQNVMCGJSCBS-INIZCTEOSA-N 416.507 0.966 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CCO1 1503774162 WGUUFQSTQHTGHB-OAHLLOKOSA-N 424.490 0.976 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(C)cn2)CCOC1 1516232290 UPLNTEWSWOIZBA-LPHOPBHVSA-N 401.471 0.864 30 20 HCED CN(C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1516998362 KLAFTEKATZVYKC-GJZGRUSLSA-N 403.487 0.069 30 20 HCED Cc1cnn(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)c1 1542829337 RFTLGAVQXQYVPE-LSDHHAIUSA-N 405.484 0.114 30 20 HCED CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1555151641 ZSABCFSDYWDWOX-INIZCTEOSA-N 404.496 0.981 30 20 HCED N#Cc1cn(CCNC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)c(=O)nc1O 1557600690 MJMITFFIJZFTLB-SNVBAGLBSA-N 403.345 0.268 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1620351231 UEPYUAZZPFJMKY-OAHLLOKOSA-N 419.532 0.820 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1623197340 KQHNLORFUURGTO-OAHLLOKOSA-N 405.503 0.806 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cn1C 1662111676 ZZYZGWLFKKACGG-UHFFFAOYSA-N 403.530 0.305 30 20 HCED Cn1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)n1 1696862551 QODGSUGKFXPVNO-HNNXBMFYSA-N 403.512 0.896 30 20 HCED CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1706259060 SMACEVHFTFXXHT-MSOLQXFVSA-N 414.514 0.764 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@@H]1C 1706891531 WFXMWUXFCMEAAK-ZJOBFFGXSA-N 412.516 0.168 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCOCC1 1750060715 JBQANGYWBPPNLG-GJZGRUSLSA-N 413.548 0.206 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1779104621 CBOPCYBNHQOAGD-GCOJUMRASA-N 420.470 0.027 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCNC(=O)C1)C2 1779339341 IMSZABMPILPKBD-QNFHRHJVSA-N 421.538 0.600 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](N)Cc2cccnc2)CCO3)c1 1780334949 SOEMGJLOGSWXQB-LAUBAEHRSA-N 408.462 0.295 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1781271865 OWSIQZWKLLWEGX-SGSXCFNPSA-N 402.451 0.762 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1noc3c1CCCC3)C2 1782010403 SHDBNKJBENZGBC-IIBYNOLFSA-N 415.446 0.769 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)N3CCN(C)CC3)CCO2)C1 1783196792 JOBZBBDECNKIRX-APWZRJJASA-N 414.497 0.664 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@]34C[C@H]3CCN4C(=O)OC(C)(C)C)C2)C1 1783555745 JUTKLPGQWMGZMU-LPTQZCDUSA-N 403.479 0.849 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)Cc1c(F)cccc1Cl)CCO2 1783556738 VHUAPIBSTQULEX-IBGZPJMESA-N 408.813 0.940 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1nnc(-c3ccccc3)o1)CCO2 1783564791 MRFUDJZAQAOTMR-FQEVSTJZSA-N 410.386 0.268 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCC(=O)NC3)[C@H]2C1 1783626524 ZHDOMSRZWLPSAH-XSLAGTTESA-N 407.511 0.475 30 20 HCED CC(C)n1nc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)S)C3)C2)cc1C(=O)O 1783885216 DNSFPYNCUPPVOV-SGTLLEGYSA-N 410.496 0.924 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 1784405429 AQEFUAOGQHIXRT-UWJYYQICSA-N 402.495 0.840 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1784492457 RCLPNWACBRXJEE-BPUTZDHNSA-N 420.466 0.464 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C(\C)NC(C)=O)C[C@@H]21 1784493124 MJXNXGGOOLWEDF-DZOQOBHTSA-N 407.511 0.989 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnc[nH]3)[C@H]2C1 1785219890 AEYWEOQGLVCMIZ-ARJZGVFHSA-N 415.494 0.180 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3ccco3)[C@H]2C1 1787080976 SZVAOHXNDLYBNL-OVWQWFNUSA-N 417.462 0.027 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1nc[nH]c1[N+](=O)[O-] 1787477049 DCZRVVSJKDSENV-ULQDDVLXSA-N 423.429 0.963 30 20 HCED C=CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cn4c(nc3=O)SCC4)[C@H]2C1 1789709914 HKPMRWPHWNRHCF-BPUTZDHNSA-N 418.519 0.447 30 20 HCED CNC(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]c4ccc(C#N)cc34)[C@H]2C1 1790328402 YCKWAVYGNQSISK-QRTARXTBSA-N 424.461 0.164 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)C(C)(C)C 1793191537 RUGFMGBVRVNXIT-LHKMKVQPSA-N 407.511 0.165 30 20 HCED CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1793471767 PNZRUDGJIPBMAX-GKEBHMGLSA-N 418.494 0.450 30 20 HCED N#CC1(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)CC1 1794383574 IYOBLCNKZOQDOD-YIYPIFLZSA-N 411.462 0.935 30 20 HCED CC(=O)c1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)n[nH]1 1794558085 FCPIBIHTFCYITN-XOIINTDNSA-N 416.482 0.097 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccccc1)C2 1795597839 HEOCYIBBPITWMJ-BCDXTJNWSA-N 412.490 0.741 30 20 HCED N[C@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1ccccn1 1795611090 URSNVRNOCKHIDQ-UDKICSLYSA-N 404.470 0.723 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nccnc1C(N)=O 1798356542 RATGGIQXWTWCHY-QKPAOTATSA-N 413.478 0.547 30 20 HCED 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CSc1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800781308 ZWDLUZGNXRZCCA-YVWYUNDQSA-N 402.472 0.629 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1803565673 YFHFSGURMCFPNT-WMEZAQDKSA-N 417.510 0.271 30 20 HCED N=C(N)NCC(=O)N1CCCC2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)CC2)C1 1809688926 YVNFXIIYJNHURZ-YXUUZYBBSA-N 408.503 0.230 30 20 HCED N#CCCC(=O)N1CC[C@@H](CNC(=O)COc2ccc(O)nn2)[C@@H]1c1cccnc1 1812350758 CDXJGKQRVPOZDU-YWZLYKJASA-N 410.434 0.966 30 20 HCED N#CCC(=O)N1CC[C@@H](CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)[C@@H]1c1cccnc1 1812410453 WCGXPMFAQRQSEV-KXBFYZLASA-N 424.417 0.771 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CCC(N)=O)[C@H]1c1cccnc1 1812632877 JQAOJAPIQYBGSR-OXJNMPFZSA-N 416.478 0.862 30 20 HCED C#CCO[C@@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CN2CCOCC2)[nH]n1 1815197207 IQGVGPPSFOUZHP-DOTOQJQBSA-N 403.483 0.772 30 20 HCED CC(C)(C#N)C(=O)N1CCCC[C@H]1C1CCN(C(=O)C[C@H]2NC(=O)NC2=O)CC1 1823884384 RCIMGAZYKMSRSK-CABCVRRESA-N 403.483 0.754 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)COC(=O)C(F)(F)F)CC1 1828834550 IMQQQDCQXPZTQB-ZDUSSCGKSA-N 418.368 0.800 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1829764496 NNTNCRFMACSUOW-YOXWTLATSA-N 414.462 0.010 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1830960617 XBIQUZZMTSLWNP-OAQYLSRUSA-N 418.494 0.458 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1831175228 NQWYFNYFKUEYEO-SIXWZSSISA-N 415.556 0.312 30 20 HCED NC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)c1ccccc1 1831213486 RHYBXQBPIBNPBW-OFNKIYASSA-N 411.502 0.599 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(CC)noc3C)C2)C1 1831396074 HORRCEXCZHUDGF-IIBYNOLFSA-N 419.478 0.654 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1831425159 ABBGXBUZVIPGAH-LAUBAEHRSA-N 420.510 0.873 30 20 HCED Cc1noc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n1 1831487356 NBOYGPBCCJXGHT-SJLPKXTDSA-N 412.512 0.331 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc3ncnn3c2)CC1 1831673266 LLSGTNJYFWBGBD-SFHVURJKSA-N 423.473 0.980 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1832462854 YPZZDOKMXACENH-LBXVMSDZSA-N 412.552 0.913 30 20 HCED Cn1nncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1833235243 XJAYDOIRNZKZPK-OAQYLSRUSA-N 424.461 0.265 30 20 HCED C=CCOCCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833511267 BGBCBIZNPYFCOJ-SFHVURJKSA-N 422.526 0.649 30 20 HCED CC(=O)c1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n[nH]1 1833820691 NEGHWMIMFINZBG-IBGZPJMESA-N 403.439 0.232 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342322 XJAIJJDTTIOGEP-NRFANRHFSA-N 424.461 0.412 30 20 HCED COC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1 1835844819 FHYZBNFRUISKTF-DYVFJYSZSA-N 414.572 0.027 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3nn[nH]c3C(F)(F)F)CC2)CC1 1836176410 TWVDQPMRZQIDFN-UHFFFAOYSA-N 413.404 0.922 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 1836608404 SCKSHTZYIGEWEG-VIPLHTEESA-N 411.499 0.811 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nccs3)C2)C1 1837394816 KCLUEUGDSMPNBQ-IFXJQAMLSA-N 409.508 0.786 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccnc(Cl)n4)CCO3)C2)CC1 1837921902 UBWXNTUPHSTSGK-SFHVURJKSA-N 405.842 0.504 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838339360 KQSFZXGFMUBRDG-GOSISDBHSA-N 411.405 0.601 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739136 MCAFZAZDGQDDAF-QRWLVFNGSA-N 417.466 0.757 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnccn4)C3)C2)cc1 1838949399 APODNSNAMVHTCI-QFIPXVFZSA-N 421.457 0.661 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)nc3C(F)(F)F)C2)C1 1839808184 UNHVRZNKDMBWEN-SFHVURJKSA-N 422.363 0.675 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1839846647 ZAVXPWUMZXJFPI-OXJNMPFZSA-N 408.495 0.998 30 20 HCED Cc1cc(F)c(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840043689 OUAALMDUHZOVAE-HXUWFJFHSA-N 422.384 0.431 30 20 HCED Cc1cc(C)n(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1840348897 ZRSMLNQLVSONLT-VQIMIIECSA-N 410.540 0.665 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCS3)CCO2)C1 1840577333 QXSAYOBYXPRIKS-TWOQFEAHSA-N 412.552 0.912 30 20 HCED Cc1cc(Cl)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1840699039 MWSCBNFSGILERP-FQEVSTJZSA-N 420.849 0.806 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CCN2CCOCC2)C1 1842841386 CCMCNJCLOHQHOR-UHFFFAOYSA-N 412.490 0.863 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1843402354 AUNBDLINCMMHJA-HIFRSBDPSA-N 408.524 0.975 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)[C@H](C)ON=C(C)C)C2 1844287388 SNJCPKIKQDEQCI-BBRMVZONSA-N 411.455 0.486 30 20 HCED COc1cnc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@@H]3CCCCO3)C2)cn1 1844299798 SEAYZDWOQXHPAA-ZTBJCTOSSA-N 403.439 0.831 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1844727176 OZWJKLVBNCJSQX-UHFFFAOYSA-N 408.414 0.309 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1845522132 PTTXBFVTCHPEPE-UHFFFAOYSA-N 418.457 0.937 30 20 HCED CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C1CC1 1846194548 PVQOBKWTPYAEGL-OAHLLOKOSA-N 419.478 0.971 30 20 HCED COc1ccc(CCC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c(OC)c1 1846196846 WALGPRXNNRMOSV-UHFFFAOYSA-N 400.431 0.928 30 20 HCED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197106 UHMDOZDCKCPKHF-AWEZNQCLSA-N 417.462 0.535 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(C#N)cc1 1847211315 KUCXVSLDPNWUFK-AABGKKOBSA-N 412.490 0.844 30 20 HCED CN[C@@H](CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1)C(=O)O 1847473602 RQBFDIJVYWZJOL-ULQDDVLXSA-N 403.866 0.956 30 20 HCED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 15108196 NLDJSNMMVKNAAJ-CYBMUJFWSA-N 412.468 0.600 30 20 HCED CCN(C(=O)CN1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 23257956 DSOPIKQBPPLLSE-LJQANCHMSA-N 404.536 0.711 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N(C)S(C)(=O)=O)CC2)cc1 143161748 GNVMITCPYWVYQS-UHFFFAOYSA-N 415.537 0.647 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2CN2CCOCC2)C1 410409958 GCUHYQIDIZRHSU-MRXNPFEDSA-N 410.544 0.902 30 20 HCED CN1C[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@H]2C1 427787471 JBXISCAYEGEVRJ-HDICACEKSA-N 402.520 0.979 30 20 HCED CN1C(=O)C[C@H](C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)[C@H]1c1cnn(C)c1 428790461 BOPBUYOEOYTIGY-YGNCGHNISA-N 418.457 0.812 30 20 HCED Cc1nnc(N2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)c(C(N)=O)c1C 439581758 PMUGSAPUOIASOU-UHFFFAOYSA-N 407.434 0.351 30 20 HCED C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 443259769 BDKPVQZJJBZBGJ-BONVTDFDSA-N 400.826 0.977 30 20 HCED CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 463373165 DMQYPWWGEHBGKI-SFHVURJKSA-N 411.480 0.701 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(CC(=O)NC4CC4)CC3)C2)n1 471402567 CHDIOYCMSXBCKF-SFHVURJKSA-N 410.522 0.901 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 475481099 SKIDJUPUPISISY-UHFFFAOYSA-N 408.480 0.805 30 20 HCED CN1CCN(C(=O)Cn2cc(NS(=O)(=O)CC3(C#N)CCCCC3)cn2)CC1 476335156 SBZOCQVFZHRBKZ-UHFFFAOYSA-N 408.528 0.873 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)C2=O)cc1 480836330 ADSRGUOUGPJSLQ-DLBZAZTESA-N 406.446 0.692 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 482841581 GYISTPMCXOWWCJ-NVXWUHKLSA-N 406.508 0.406 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC(C(=O)NCCCO)CC2)c1 490097035 VINUMRMGNUYSOP-UHFFFAOYSA-N 424.404 0.835 30 20 HCED COc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccnn3C)c2=O)c1 502047666 WEYIXKQVLZUBQU-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 504004124 GPAMHYHHHSWJTI-ZDUSSCGKSA-N 407.430 0.850 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc3c2CN(c2nccs2)C3)n1 508307382 UBINQIMNMXUHFA-UHFFFAOYSA-N 408.447 0.881 30 20 HCED C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508750424 ZGMOMXWWRBGQAO-UHFFFAOYSA-N 424.425 0.375 30 20 HCED CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 509637047 HZQBJNGGEDKNIS-ZDUSSCGKSA-N 406.555 0.829 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 511399864 QHOPPRCQIIQLHT-UHFFFAOYSA-N 419.500 0.810 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 512123475 MWJDBPWPZFZJFV-UHFFFAOYSA-N 406.443 0.399 30 20 HCED C=CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 519282732 NDAFJOLFTODFSP-UHFFFAOYSA-N 409.508 0.893 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 536981847 CZIAVQXOSSVENP-UHFFFAOYSA-N 424.527 0.769 30 20 HCED CN(CCNC(=O)N(C)C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 537525143 MRGYBDDWPQTWAL-SFHVURJKSA-N 404.490 0.738 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)n1 542075163 WYPZWXAXFKSKCP-CYBMUJFWSA-N 413.825 0.572 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccn(-c3ccc(C#N)cc3F)n1)CC2 542997781 DVEYNGSNFQLZOY-ZDUSSCGKSA-N 408.397 0.853 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 546002281 WGQRSIIBNWIKAU-HNNXBMFYSA-N 413.478 0.660 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CN(CC(F)(F)F)C2)CC1 554223547 KXMZUJFEQCHGBG-UHFFFAOYSA-N 416.425 0.885 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)nc1 556250747 DJIWQDKSYVNHNB-CYBMUJFWSA-N 419.488 0.923 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCN1C(=O)[C@@H]3[C@@H](C1=O)[C@H]1C=C[C@H]3C1)CC2 559472720 ABADSSOUYLIFMT-LAQRGFTBSA-N 404.426 0.371 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCn2cccn2)CC1 560292334 WPSAZKBMVTXYOA-UHFFFAOYSA-N 403.446 0.768 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 564198907 FPWXSAHETNZHOK-JXIYXGQPSA-N 418.519 0.988 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)c2c(C)nn(C)c2C)CC1 565971986 JUOGZYFEWJPAAV-INIZCTEOSA-N 404.515 0.051 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)c2cncc(C#N)c2)c1 567283447 JOAHMPZSOXCTBM-UHFFFAOYSA-N 415.435 0.767 30 20 HCED CO[C@]1(C)C[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1(C)C 571272475 ITQZGSCPAKFALC-FOIQADDNSA-N 402.499 0.569 30 20 HCED CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 577555688 PZTFZKDJJAHBPB-RTBURBONSA-N 411.506 0.574 30 20 HCED C=CCNC(=O)CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl 581162995 IUTLTIYCAUIJLM-UHFFFAOYSA-N 424.704 0.799 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 581332793 AWYRLEVZCLTYOG-UHFFFAOYSA-N 409.508 0.370 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 603794816 NIKSURIRTKWACJ-UHFFFAOYSA-N 401.463 0.821 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608911112 KQFGGBFNHKGRGS-LLVKDONJSA-N 414.443 0.422 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 615079082 ASMNCJCAZPFPSF-UHFFFAOYSA-N 414.510 0.597 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 728570462 CVFFVLCEOOSQOS-DLBZAZTESA-N 414.506 0.391 30 20 HCED N#CCN1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 730504655 WGAWKGVUJQEOLZ-UHFFFAOYSA-N 410.471 0.564 30 20 HCED C=CCN(C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)[C@@H]1CCS(=O)(=O)C1 731613519 HQSRCPZAYWPGDO-CYBMUJFWSA-N 412.420 0.996 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1 732285709 FUABQHWLLZSPNA-SFHVURJKSA-N 415.513 0.230 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 733275670 NNMKLYPQDJWDIM-LBPRGKRZSA-N 413.521 0.539 30 20 HCED C#CCN1CCC(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)CC1 734348093 MVVMYAIBHAFDJV-UHFFFAOYSA-N 417.531 0.720 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C 745735048 CANNHHIEORCWBL-CQSZACIVSA-N 420.466 0.547 30 20 HCED COc1cc(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)ccc1S(=O)(=O)C(F)F 747065946 FPXUEXVCQASBJS-GQCTYLIASA-N 414.386 0.985 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCN(C)CC1 747412819 UKOOQHROFWWCGX-MRXNPFEDSA-N 422.551 0.713 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(C)C1=O 748581197 ANQIOVKGVLAQAQ-CABCVRRESA-N 406.508 0.877 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@@H]1CCOC1 749856099 BEGMOWMWVSWCCB-AWEZNQCLSA-N 422.445 0.693 30 20 HCED C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(=O)(=O)C1CCOCC1 757599100 XDSZDEDSMYEGPR-VNHYZAJKSA-N 415.512 0.844 30 20 HCED CCN(CCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(C)(=O)=O 758386328 CENSUSKXMWELKF-KBPBESRZSA-N 417.532 0.716 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)cc1 763483241 LGXXMQWBMWURMS-XGCWNURASA-N 420.516 0.277 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)NC2(C#N)CCCCC2)c1 764035507 UCCZKNZZZTYZCC-UHFFFAOYSA-N 412.468 0.439 30 20 HCED CCn1c(S)nnc1CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765470705 WVKBLHAJTLYDPQ-LLVKDONJSA-N 408.509 0.484 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCOc1ccccc1C(N)=O 766365373 LZXRLFCUENEQAO-CYBMUJFWSA-N 417.443 0.946 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629801 JZOXQFYHSISQHE-FZKQIMNGSA-N 406.464 0.823 30 20 HCED Cn1cnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 768415450 BMZBTXQORMAFEB-RLBWVDARSA-N 413.507 0.922 30 20 HCED C[C@@H](C#N)Oc1ccc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 768781178 NYIKTTYYFILBLM-KRWDZBQOSA-N 407.540 0.587 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 769002302 SBDZVVXCLSMAKI-OAQYLSRUSA-N 402.495 0.865 30 20 HCED C#C[C@H](N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 775794755 SOSNEOGILCAAOH-HOJAQTOUSA-N 419.547 0.987 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)nc1 782130660 WIICBUWPWVZSCS-UHFFFAOYSA-N 417.422 0.887 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1 783350576 NJVLHUASZRPNEU-UHFFFAOYSA-N 422.463 0.320 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2ccc(C#N)[nH]2)c(N)n(Cc2ccccc2)c1=O 786092998 SKHCOYXHEJNHED-UHFFFAOYSA-N 407.386 0.417 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)c1 786548552 AGAJPEVACAITEW-QGZVFWFLSA-N 413.455 0.893 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 787774328 HAJNKQIQTNXHMI-SJORKVTESA-N 400.483 0.241 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ncn(C)c3Cl)CC2)o1 793125478 JBDBXSMXSFLHSJ-UHFFFAOYSA-N 412.859 0.963 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 793760004 HYVWJCKCQHBTMB-CABCVRRESA-N 422.279 0.592 30 20 HCED Cc1oc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2N)c(C#N)c1C 800232460 MSZCRHUZQPRZQV-UHFFFAOYSA-N 406.420 0.811 30 20 HCED C#CCSCCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806911110 UOMAEERCGVPGRS-LSDHHAIUSA-N 401.488 0.505 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C 810382780 STZSPIXAPNFKCC-ISLYRVAYSA-N 406.464 0.224 30 20 HCED C#CCN=c1nc(N2CC[C@H](n3cccn3)C2)[nH]c(N2CC[C@H](n3cccn3)C2)n1 812485451 SVBCYZXEUNIVMC-IRXDYDNUSA-N 404.482 0.634 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)C1=O 814142719 YYDAUFNMBGVPIU-RYUDHWBXSA-N 412.418 0.427 30 20 HCED Cn1cc(C=NN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c(=O)n(C)c1=O 839394639 NZYNZOOZJRHHFM-UHFFFAOYSA-N 407.342 0.776 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)c2ccc(C(=O)NCC(=O)O)cc2)nc1 917880389 YRHRHVBFLFKEAJ-UHFFFAOYSA-N 403.420 0.158 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 918391863 QAJIBFMMRNZHJW-UHFFFAOYSA-N 410.459 0.341 30 20 HCED CS(=O)(=O)N1CCc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc21 1318453040 WYLUEUZSQXELMF-VLGSPTGOSA-N 404.448 0.265 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(C(=O)NCCCO)CC1 1319357051 YNCAIXVSDWNHOJ-UHFFFAOYSA-N 412.494 0.888 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(OC)c2)c1=O 1319478243 JBPYEZKEKSHFSY-UHFFFAOYSA-N 405.451 0.343 30 20 HCED N#CCNC(=O)CNC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 1323227353 URSQZHDZALBLGM-UHFFFAOYSA-N 411.447 0.829 30 20 HCED CCN(CC)S(=O)(=O)c1cc(C(=O)N=C2NS(=O)(=O)c3ccccc32)n(C)c1 1337587204 AXAPMPFPXIQPOJ-UHFFFAOYSA-N 424.504 0.935 30 20 HCED N#C[C@H]1CN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 1471131592 CXVDTZGYLBICBU-GOEBONIOSA-N 412.899 0.178 30 20 HCED C=C(Br)Cn1c(CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507786623 WHNMLYOJXFDSDA-UHFFFAOYSA-N 410.280 0.084 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nnc2n1CCC2 1613594456 JWJSQSBMACUIAZ-AWEZNQCLSA-N 413.486 0.511 30 20 HCED CCN(CCC(=O)NC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1653110452 XAUYUADVLAJZBN-UHFFFAOYSA-N 406.508 0.944 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N4CCN(C)CC4)CC3)CC2)o1 1654543308 MSDFUAFXEPRRQJ-UHFFFAOYSA-N 415.542 0.215 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1692664624 PJBYKUHNHJLMCN-KBPBESRZSA-N 423.499 0.628 30 20 HCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC(=O)N1C 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COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 460580682 JTTMXNQCQGLROS-OAHLLOKOSA-N 408.418 0.879 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cc1 461775278 VJRVAHFMRNZAGE-OAHLLOKOSA-N 408.480 0.968 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)c(F)c1 467143397 DUKDHVSUUWHPSN-UHFFFAOYSA-N 411.477 0.493 30 20 HCED N#C[C@H]1COCCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 471227062 HPUUSSSZASRUFD-KRWDZBQOSA-N 406.508 0.702 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3cc(F)cc(F)c3)CC2)c1C#N 471713244 MNEHNPKSHZOYJV-UHFFFAOYSA-N 402.405 0.957 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 475348195 BZXYPVFGCODVCY-GOSISDBHSA-N 419.441 0.903 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN([C@H](C(=O)O)C(C)C)C2=O)c1 478999839 XZAKYVSJHPJGOQ-CVEARBPZSA-N 423.491 0.591 30 20 HCED COC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1C 486607241 SCRHLGWWCIZRON-INIZCTEOSA-N 416.459 0.763 30 20 HCED CC(C)(C#N)c1ccccc1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 487357512 BNRZFXYCXWUSGP-SFHVURJKSA-N 418.563 0.909 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2C)CC1 489124766 DKIQHLASZGDCHR-UHFFFAOYSA-N 400.479 0.253 30 20 HCED Cc1ccc(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)cc1S(N)(=O)=O 497458386 QGYZOXHOUCJDDD-UHFFFAOYSA-N 414.491 0.670 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2CC)c1=O 512781213 NRXZNECNTSSEFK-OAHLLOKOSA-N 415.519 0.334 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C1CCN(C)CC1 516828416 JGPPDPNCEWFFCJ-UHFFFAOYSA-N 417.560 0.661 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C3CCN(S(N)(=O)=O)CC3)CC2)c(F)c1 518810341 DLSDYRXPJUFNRV-UHFFFAOYSA-N 410.471 0.983 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 519964722 YOYJPUHFAZDYFX-HNNXBMFYSA-N 421.523 0.879 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(F)c1 525846935 ALGOQTWGTIGRJK-UHFFFAOYSA-N 402.386 0.819 30 20 HCED C[C@@H](C(=O)Nc1ncccn1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 532642472 KWKXVBWTHIHSDG-AWEZNQCLSA-N 400.464 0.682 30 20 HCED CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3CC)c2=O)c1 533579555 SIQXHSWMWVMOEO-UHFFFAOYSA-N 407.499 0.927 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCSC[C@@H]1C#N 537148554 ICXNFNSWVLCPHV-ZDUSSCGKSA-N 411.505 0.797 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 539691094 GEMLEMGMRCUABH-ZIAGYGMSSA-N 402.451 0.293 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NC[C@@H](C)C#N)c2)CC1 540314537 YGQZBQKUORXFPK-AWEZNQCLSA-N 407.496 0.227 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCS(N)(=O)=O)n2)c(Cl)c1 541145625 KSGPBSFORYXBFX-UHFFFAOYSA-N 410.843 0.131 30 20 HCED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 549668556 ZZDSKSJBCHRTBW-JJTUDDRGSA-N 423.539 0.801 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)N[C@H](C)c3ccc(C#N)cc3)CC2)no1 556035748 PHWSCTNDNJQQSB-OAHLLOKOSA-N 424.461 0.815 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCCSC 562311117 LLGDVWBEFGYMOA-UHFFFAOYSA-N 404.517 0.316 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)C1=O 573404316 OKTOCRFYYRHOTJ-ZBFHGGJFSA-N 401.419 0.199 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 583951842 UPKDBMRBKCCIQX-QGZVFWFLSA-N 423.521 0.893 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 583964851 GAYLVEHXLAENBW-OAHLLOKOSA-N 405.457 0.481 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603736520 QXXPGACWHCEUDE-INIZCTEOSA-N 420.535 0.532 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(F)cccc2F)c1=O 603792763 CMVCOOQBSBSDMH-UHFFFAOYSA-N 417.437 0.736 30 20 HCED CS(=O)(=O)NC[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 608991057 CUEHEDIYKIGVCM-MRXNPFEDSA-N 420.539 0.893 30 20 HCED COC(=O)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCOCC1 609348711 GBIXYWRXEIACGI-KRWDZBQOSA-N 408.476 0.805 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)CSC)cc1 610031948 JVDAONRMMIUMTO-QGZVFWFLSA-N 415.537 0.662 30 20 HCED COC(=O)c1cc(S(=O)(=O)NC2CCN(CC#N)CC2)c(C(=O)OC)s1 611017379 NJBJLNCBJXKIMN-UHFFFAOYSA-N 401.466 0.588 30 20 HCED COC(=O)c1ccc(C(=O)NCC#CCNC(=O)c2ccc(C(=O)OC)nc2)cn1 612409704 PBSNBNJEIZDFEA-UHFFFAOYSA-N 410.386 0.213 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1)S(N)(=O)=O 615407360 GVFRVJLQJRNZPC-LLVKDONJSA-N 403.420 0.477 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1 729365555 SLSQQNNNADXZCP-CYBMUJFWSA-N 424.479 0.569 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 731353352 NKHWBRQBTYGTHK-UHFFFAOYSA-N 417.491 0.379 30 20 HCED COc1ccc(C)cc1N1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 731861130 LUAPIAQBNXYRTP-WDWGUKLMSA-N 412.446 0.999 30 20 HCED CCOc1cc(C=NNC(=S)NCC(N)=O)ccc1OCC(=O)N1CCCCC1 731929027 AIKIVXQZTLSQAE-UHFFFAOYSA-N 421.523 0.760 30 20 HCED C#CC(C)(C)NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 733978804 XESLNUIMMZOGBR-UHFFFAOYSA-N 421.498 0.475 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 734003815 WBFJCTUQEZWOJC-GOSISDBHSA-N 421.523 0.715 30 20 HCED C#CCNC(=O)CN1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 735310065 YXMLMKWDNMFGIZ-UHFFFAOYSA-N 401.423 0.260 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cn2ccc(C=NO)nc2=O)c1 736301881 CASKJVXKPMNUFA-UHFFFAOYSA-N 407.452 0.721 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCCNc1ncccc1C#N 747805848 CIAVOMZSAZSARI-GFCCVEGCSA-N 406.468 0.626 30 20 HCED N#Cc1cc(COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)ccn1 749329732 OROVXJRPTVCPTP-UHFFFAOYSA-N 400.416 0.431 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCc2nnc(S)n2C)cc1C#N 755318483 OECXAUYIMYGLPM-UHFFFAOYSA-N 403.424 0.799 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 757868175 KVBFRACYVAHNPL-ZDUSSCGKSA-N 401.398 0.645 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 759056909 MZFAJKJGICUBJB-UHFFFAOYSA-N 420.535 0.871 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761153850 PUTMLGLMDAOBNT-UHFFFAOYSA-N 403.414 0.113 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3cccc(F)c3)CC2)c1=O 765128679 ZETLIAXVYXARRD-UHFFFAOYSA-N 415.469 0.458 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 765870394 GRQLDWGUFYLWGU-KGLIPLIRSA-N 421.527 0.710 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)Nc1ncccn1 767677115 RDLRWHRJVMESMS-NWDGAFQWSA-N 403.420 0.585 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c1 781035604 CRMUBASYKUYMEZ-ZBFHGGJFSA-N 422.459 0.165 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 783062287 WBPUPPRCUPMJJG-ZDUSSCGKSA-N 416.525 0.842 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 786706409 XWIOHBMWZYLPLE-UHFFFAOYSA-N 401.467 0.848 30 20 HCED COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 805502795 OHLMUXHCGFJCQX-NWDGAFQWSA-N 410.448 0.925 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)C2)c(F)c1 805880685 JEACBMXDOKIYLY-GJZGRUSLSA-N 418.450 0.490 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn2n1 810385524 SHMQYBOYGAYGLY-TZMCWYRMSA-N 413.438 0.852 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 815860549 PZPMIXXQCXMAOA-UHFFFAOYSA-N 419.507 0.167 30 20 HCED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 918319475 OJOBTBHPPXKZOQ-UHFFFAOYSA-N 422.445 0.825 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCOC2)c1 918465633 QGYMQWAACLZFRX-AEWZPABSSA-N 422.507 0.981 30 20 HCED CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1159455033 IVCNYFCSRPVKJP-UHFFFAOYSA-N 410.399 0.855 30 20 HCED CN1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1298879675 OZOSQWJAHJALQY-RTBURBONSA-N 414.445 0.434 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 1321325555 LYBXLGMIQHNSOJ-DGCLKSJQSA-N 416.525 0.149 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCC3)c1=O 1324464895 WLSHIHBEBAVZPV-HNNXBMFYSA-N 421.522 0.686 30 20 HCED 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N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)C1 1712876567 QOBLFQUMABYOOC-DYVFJYSZSA-N 410.475 0.148 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCOC1 1741916218 VHVNABGMAWHKHS-GUYCJALGSA-N 412.516 0.170 30 20 HCED CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1746494665 IUODDIDKYOCUTM-YJYMSZOUSA-N 403.462 0.978 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1CCS(=O)(=O)CC1 1769845669 QZBJLGRKNXLXSJ-INIZCTEOSA-N 411.528 0.973 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778553872 LLLPUXDOFPWUBH-MGPUTAFESA-N 404.467 0.700 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)NC(=O)c3cnccn3)C2)C1 1779182117 UJVJJYOIVBFMNA-HRAATJIYSA-N 413.478 0.228 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)cc1 1779378484 NBEQLTRRQIQIEO-FQEVSTJZSA-N 424.417 0.876 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335912 QBJJEBWKXNLJRY-HXUWFJFHSA-N 417.466 0.855 30 20 HCED 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C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CNC(=O)O1 1847850108 RYYFVAUMFXWQKS-AJNGGQMLSA-N 422.482 0.766 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)c2cc(C)n([C@H]3CCS(=O)(=O)C3)c2C)c1=O 22284729 PSDGKQKYHWWODX-HNNXBMFYSA-N 418.475 0.562 30 20 HCED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 50171595 HQBFAAXBWYVMEK-UHFFFAOYSA-N 408.480 0.826 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)cc1 431194315 SFLLDRVZWVVFQD-UHFFFAOYSA-N 401.448 0.684 30 20 HCED COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1[N+](=O)[O-] 446533602 WJKDKRFHNZMUMC-UHFFFAOYSA-N 405.411 0.616 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)n1 460425345 WNUBSFSMCUWUHH-MRXNPFEDSA-N 415.475 0.518 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 463388378 GQQGVBHPGQPUAL-CVEARBPZSA-N 413.521 0.450 30 20 HCED Cc1nc([C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1 464466865 LSKDFHUZIXVHGP-OAHLLOKOSA-N 404.452 0.205 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 465215290 PRRKUEMRUOLUHB-SJORKVTESA-N 401.515 0.925 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 465503997 PBWXQPDCLWCQFQ-CYBMUJFWSA-N 411.451 0.223 30 20 HCED COCCOC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 466097855 XDGNBEGLBNEELG-HNNXBMFYSA-N 410.496 0.626 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 472649202 TWQFKTSLFKMIHF-MRXNPFEDSA-N 413.459 0.787 30 20 HCED COC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472881252 ZUPJBDJBPMEBCX-UHFFFAOYSA-N 410.434 0.674 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(C)c1C#N 476186908 ANROIJYUGMTASG-UHFFFAOYSA-N 419.463 0.964 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)C1=O 476358696 WKZAJVZODLWDSU-UHFFFAOYSA-N 414.418 0.199 30 20 HCED C=CCOC[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)OC 481751878 CBFMALDJLMPJOA-WBVHZDCISA-N 410.492 0.948 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 486484862 IANGFIDUZQLFKN-KSZLIROESA-N 413.478 0.594 30 20 HCED Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1C#N 489108710 NOXCTVCFKLJEMW-UHFFFAOYSA-N 407.477 0.352 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1=O 489775792 JLZGQFLOUCEWMM-UHFFFAOYSA-N 404.335 0.605 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](CC(=O)OC)C2)cc1 494264894 KTXFPHZBEBGGNU-OAHLLOKOSA-N 404.423 0.723 30 20 HCED Cn1cc([C@@H](CO)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 494807957 IZDXDDZIEDUGCV-RTBURBONSA-N 400.458 0.591 30 20 HCED CC1=CCN(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 498851667 FAOLJJMAGPQYDH-IBGZPJMESA-N 409.490 0.938 30 20 HCED C=CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508815516 BKKJKGYGXDKXDZ-UHFFFAOYSA-N 411.510 0.431 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CCN1Cc1ccccc1 513037922 VTXSRPCGIMXEHJ-IBGZPJMESA-N 405.458 0.889 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(CN3CCOCC3)ccc2C)C1=O 523141465 QLTOYOVFKZJYPG-UHFFFAOYSA-N 400.435 0.743 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccc3OC)c2=O)cn1 523181129 XWYNLZPYHUORDH-UHFFFAOYSA-N 409.471 0.373 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 525477041 RGZXAPGXKGYHQD-UHFFFAOYSA-N 401.466 0.158 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCOCC 530893466 YGGYLZYYZUPBMP-UHFFFAOYSA-N 414.512 0.685 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OCC)n2)c1=O 531907762 WHZSAMCBDKVRFW-UHFFFAOYSA-N 416.503 0.379 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1Cc1ccon1 532799864 RMHBDPMREMZSAU-UHFFFAOYSA-N 418.837 0.988 30 20 HCED CCc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3CC)c2=O)cc1 533579544 NYUOJZQGVSOLGO-UHFFFAOYSA-N 407.499 0.927 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)C1=O 541762841 LVCKGPWJIHMIDT-CQSZACIVSA-N 401.510 0.311 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 550906657 XKIKWZIRESMAOF-MJGOQNOKSA-N 401.511 0.547 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 551876723 KBTAOGKYOOHUEF-UHFFFAOYSA-N 421.457 0.646 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 557732446 RYZVQWWBBQVRIU-GOSISDBHSA-N 402.470 0.809 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 559908540 VAKMXEWARMSUPB-LSDHHAIUSA-N 405.414 0.927 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)CC1 568320830 NJHSHDZFLXLYDZ-INIZCTEOSA-N 400.479 0.683 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC2CCN(CCC(C)C)CC2)CC1 576070579 WXHUCENTKWTFDI-UHFFFAOYSA-N 421.586 0.307 30 20 HCED C=CCOC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OC 578064984 XKCIDPLLXGNGST-IRXDYDNUSA-N 410.492 0.955 30 20 HCED C[C@@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 582982325 LDTJJARJYUUHSJ-NVXWUHKLSA-N 417.485 0.619 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CC1 586830923 GNKFITDAMWXAFB-OAHLLOKOSA-N 417.466 0.384 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCCN(C)S(C)(=O)=O)cc1 588289789 ULMVJYULSYYHHR-GFCCVEGCSA-N 402.498 0.775 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCO[C@H](C)C3)CC2)c1C#N 588819055 KJDSYXIKFDMUSM-GDBMZVCRSA-N 402.499 0.570 30 20 HCED N#CCc1ccc(OC[C@H](O)CN2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 613384148 MGCLETWNYMIQCH-LJQANCHMSA-N 407.536 0.687 30 20 HCED N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 615549224 MXDSVOGIYQBWNY-OAHLLOKOSA-N 403.457 0.334 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1 678689271 IGQOQIHVRXPJTM-ZWKOTPCHSA-N 415.494 0.990 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 729257182 WEEWDOQNNISJBV-UHFFFAOYSA-N 410.434 0.678 30 20 HCED Cc1cccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1C 732909770 GKKLFJATOHQPAB-HOTGVXAUSA-N 417.487 0.622 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(CC(F)(F)F)C2=O)cc1 735715846 ZSKKDLKLMCRYQK-ZDUSSCGKSA-N 404.366 0.918 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 740518286 OAPAFFNEBVVKDD-CYBMUJFWSA-N 400.464 0.899 30 20 HCED C[C@@H](CC(=O)NCCNC(=O)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 742542061 VTDGBPDHJNXBNH-ZDUSSCGKSA-N 415.475 0.445 30 20 HCED C[C@H](CC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742674235 LFTVZWQWKMYNES-JHJVBQTASA-N 415.537 0.784 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccccn4)n3)CC2)n1 761101679 RSODCIJSTFICAX-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C1CC1 767551305 NXERFIRHWSLJHM-HXUWFJFHSA-N 414.466 0.257 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)Nc1ncccn1 767638137 QNVHVHIYEKXBRU-VXGBXAGGSA-N 403.420 0.585 30 20 HCED N#CCN(C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccccc1 769153025 QLPNFNLOVFMTSR-UHFFFAOYSA-N 412.427 0.937 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 771581968 IBPXKAZEPFAGAI-RNODOKPDSA-N 416.434 0.324 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C)[C@H]1CCCO1 773802096 ZKMVGGVPRJGIIL-DZGCQCFKSA-N 403.435 0.641 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1CCOC 782600756 LBHNATQXROWAOW-UHFFFAOYSA-N 416.528 0.695 30 20 HCED N#CC1(NC(=O)COC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CCC1 784209239 XUNLRKDGDCFDJZ-UHFFFAOYSA-N 403.416 0.713 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[nH]1 786086832 HMIGSCMBKXHIQT-UHFFFAOYSA-N 402.432 0.576 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 790613594 MAVDOJKQMVEVNB-UHFFFAOYSA-N 419.463 0.387 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 803302424 OCQYCUMWHIIXHX-QFBILLFUSA-N 414.506 0.946 30 20 HCED COCCNC(=O)c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 803472337 ZTTCSVGLLJGHOR-UHFFFAOYSA-N 416.459 0.740 30 20 HCED C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 805057372 GOHLJHGIGUSCTM-ZBFHGGJFSA-N 407.515 0.852 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812304697 NQEKMTRXCWRLFH-HOTGVXAUSA-N 404.496 0.484 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)c1 813982353 INNCNKKFEQWJPL-UHFFFAOYSA-N 406.445 0.612 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCc2cnn(C)n2)cn1 814709170 TZVGEAQBDKTGAB-CQSZACIVSA-N 404.500 0.732 30 20 HCED C=CCN(C(=O)c1cnn(C)c1I)[C@@H]1CCS(=O)(=O)C1 815080911 YYSBXCBWCMCMFA-SECBINFHSA-N 409.249 0.840 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 815861312 BLBMVRMNUOZBFL-UHFFFAOYSA-N 401.467 0.166 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(OC(=O)N(C)C)CC1 818673743 APFXZOCHUOZEPR-CYBMUJFWSA-N 408.480 0.914 30 20 HCED COCCS(=O)(=O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 915641015 HBUVUQQDBGMKCX-UHFFFAOYSA-N 405.480 0.436 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(C(=O)OC(C)(C)C)CC2)c1=O 917491135 RUDYEZCXYOIAQH-UHFFFAOYSA-N 421.498 0.444 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H]2CCCOC2)c1 918465634 QGYMQWAACLZFRX-CHOFAJOMSA-N 422.507 0.981 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919649202 ZNCRIXHAIBMIQB-OCCSQVGLSA-N 420.443 0.305 30 20 HCED C=C(Br)CNC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 921041980 DAVVMSOPEQZQBG-UHFFFAOYSA-N 415.321 0.922 30 20 HCED C=CCOc1ccc(CC(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)cc1 969322980 LHHBZHPBTIUIDV-PLQJBLPLSA-N 412.486 0.905 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1178502888 WUSBYRFYAYZLMC-UHFFFAOYSA-N 408.455 0.371 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[C@](F)(C#N)C2)C1 1316352482 UEGYCLIFSKEABN-GUYCJALGSA-N 407.475 0.997 30 20 HCED COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504276624 WBYPLCBWYUTKNM-RDJZCZTQSA-N 417.491 0.966 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)CCO1 1505323178 VVTLKGHVPIRRCO-HOTGVXAUSA-N 423.539 0.994 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 1616457959 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HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1751095107 UAZGNGJLUPVMIC-RDBSUJKOSA-N 415.541 0.353 30 20 HCED CCCCN(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1765746524 XBUJWZMNGYLNKU-HOTGVXAUSA-N 410.544 0.641 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1)C(F)(F)F 1778162273 SKMZEERKIIMPMM-MRXNPFEDSA-N 405.373 0.777 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3ccccn3n2)C1 1778483170 JOPKLJSOHIVWPO-DYESRHJHSA-N 410.430 0.550 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1778973460 RUGJXPNCNBBGLU-HRAATJIYSA-N 413.478 0.746 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1ncccn1)CCO2 1779016096 MISPJTWPTNORCC-BTVXTAIASA-N 400.483 0.321 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n(C)n1 1779100397 CANQWCIEIBDDDW-DOXZCSRISA-N 419.482 0.701 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779524713 ARHRRNXUJWJIKS-FOIQADDNSA-N 418.450 0.191 30 20 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CCn1nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1C 1840814531 OGWKUFZGCBSOAR-NRFANRHFSA-N 415.494 0.975 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840876394 RQRYEXJEJVGFMZ-XGHQBKJUSA-N 410.511 0.443 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1 1845138736 MXIGVIMWXZCAFB-KRWDZBQOSA-N 413.478 0.760 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2nccn2)C1 1845266971 NFZUCJVKCNNFIB-HNNXBMFYSA-N 416.482 0.398 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc(OC)c(F)c1 1847263097 ZMCAWVHLUSYQOA-UDLYIEAKSA-N 402.426 0.903 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC)CC(=O)Nc2ccccc2OC)C1=O 7020592 ZBOAZTDJXZNEBX-UHFFFAOYSA-N 416.434 0.849 30 20 HCED COCCN(CC(=O)N[C@@](C)(C#N)C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 22993120 HYTHJRQDDAFKHE-IBGZPJMESA-N 406.487 0.036 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c1 31806451 UGFCEBFHGFEIOL-UHFFFAOYSA-N 400.303 0.782 30 20 HCED CC[C@@H](C)N/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305769648 MXLDVJLQNYAVLT-GFCCVEGCSA-N 406.530 0.494 30 20 HCED CN(/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)C1CC1 305841299 ZKANCGBMIGGFIR-UHFFFAOYSA-N 404.514 0.200 30 20 HCED CC(C)[C@H](CN(C)C(=O)[C@H](C)n1cnc(C#N)n1)NC(=O)[C@H](C)n1cnc(C#N)n1 409985728 AMGBBNOLLKODKG-IHRRRGAJSA-N 412.458 0.034 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 437049965 FKDSCNNFOXDPDP-QAPCUYQASA-N 421.519 0.957 30 20 HCED CC(C)(C)[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(N)=O 439808051 RULJJRDRCFOZQK-AWEZNQCLSA-N 402.842 1.352 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442045037 PPKNUTNLYVYBKQ-AAEUAGOBSA-N 401.448 0.782 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)NCCNS(=O)(=O)c1cccnc1 443492795 PTBBRLUALKYMKO-UHFFFAOYSA-N 400.869 0.863 30 20 HCED CCCc1c(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)cnn1-c1cccc(C#N)c1 443704831 HHGLZADJIQZYDK-AWEZNQCLSA-N 408.418 0.556 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](O)[C@H]1C(=O)OC 445192675 JXVPGKCQRNXUHN-ZBFHGGJFSA-N 405.407 0.047 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(COC)cc2)c1=O 461361308 DSSJSVNHNCUICK-UHFFFAOYSA-N 413.499 0.508 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(Cc2cnn(C)c2)CC1 462101627 LEZJOGPEPPHMDR-UHFFFAOYSA-N 405.466 1.531 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 464302432 RHZFSHJJIDTKJA-MEDUHNTESA-N 404.423 0.707 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)O[C@@H](CC)C(=O)N3)C1=O 465353630 DRQVITFCQNCHLY-RISCZKNCSA-N 414.418 0.950 30 20 HCED CC(=O)Nc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 469073449 USRSGDWWTMEMGH-UHFFFAOYSA-N 401.448 0.849 30 20 HCED N#C[C@@H](c1ccccc1)N1CCN(CC(=O)c2c(O)nc(=O)n(C3CC3)c2N)CC1 471154064 LGRMZPYUVDRNOA-INIZCTEOSA-N 408.462 0.931 30 20 HCED C=CCN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)[C@H]1CCS(=O)(=O)C1 472728641 NJUVQHCFZLJMFP-ZDUSSCGKSA-N 410.887 0.929 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)C1 479883440 BIGRRRFNYBWSIN-CQSZACIVSA-N 412.537 0.734 30 20 HCED Cc1cc(NC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 479919719 ZYIGPJNCVZSHKM-LBPRGKRZSA-N 405.436 0.619 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)C2CC2)CC1 480794284 AMHHEDPTVSWWTG-CYBMUJFWSA-N 404.492 0.742 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 482203114 BSVLYFRQCTZZOA-BPUTZDHNSA-N 406.508 0.988 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 484393996 ZJTAQIQNJGWLTE-HNNXBMFYSA-N 400.435 0.745 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc(-n3ccnn3)c2)CC1 490351016 CDFVQCVEYGWYGH-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 498434938 MBUUQRKQTDLZBW-KRWDZBQOSA-N 406.552 0.863 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 504129116 SDIMOMWEBFIPAF-AWEZNQCLSA-N 402.432 0.985 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1 504864818 MUOJXOUYFNKNRR-UHFFFAOYSA-N 414.462 0.102 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508651152 WDAMCIYOECTCBX-QGZVFWFLSA-N 412.494 0.645 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 508908586 UOKADWHIYISNEP-UHFFFAOYSA-N 408.466 0.839 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C(=O)COC)CC1 509002871 UMIPYHMBMHDWLH-UHFFFAOYSA-N 419.507 0.830 30 20 HCED N#Cc1ncn(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 510622841 ORVTXQJNLIXABW-UHFFFAOYSA-N 422.428 0.860 30 20 HCED CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513296063 ZTKQOMGSAQRXNK-CQSZACIVSA-N 414.441 0.737 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 513597599 KVTCMPHMSXORJD-UHFFFAOYSA-N 404.536 0.977 30 20 HCED CN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCC(CO)CC1 514629609 SIPWMRXPSSYQET-CTWPCTMYSA-N 412.490 0.785 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)CC1 518009396 ILEOWRQRYMPKFA-UHFFFAOYSA-N 404.467 0.655 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(OCC(=O)OC)c2ncccc12 538549214 UUEMGCZGDSMQJP-UHFFFAOYSA-N 400.391 0.144 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(NC(N)=O)CC2)CC1 539451090 RKCBGNICWUEQND-GOSISDBHSA-N 402.474 0.667 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ncccn2)CC1 542298455 ORVYAFMGOJMTAK-UHFFFAOYSA-N 410.434 0.661 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2)n1 545489810 XRJPVRCCZIGNMC-UHFFFAOYSA-N 419.445 0.770 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N2C[C@H](C(=O)O)CC2=O)C1 548245556 VENCDBTYIALHKC-GHMZBOCLSA-N 408.392 0.163 30 20 HCED COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(=O)NCC#N)c2)cc1 553308527 ALOVFWAGKDXJFU-UHFFFAOYSA-N 402.432 0.866 30 20 HCED COC(=O)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OC 558195692 VYPITUVZXVDJHE-INIZCTEOSA-N 409.464 0.263 30 20 HCED COCCCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCS(=O)(=O)C1 568438101 FWNZRLQLMAORDP-OAHLLOKOSA-N 401.510 0.253 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(C#N)cc1Cl 568454902 KUQDHHTTZFXWJN-CYBMUJFWSA-N 415.855 0.280 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCc1cc(OC)c(OC)cc1OC 569092417 APHYKRPHFSWZOX-UHFFFAOYSA-N 424.479 0.888 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)c(=O)n(C)c1 573618650 HQADWOKBMXDPMF-UHFFFAOYSA-N 400.464 0.618 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 578795795 WZGPGRLNTYJSOX-XLAORIBOSA-N 406.442 0.440 30 20 HCED Cc1ccc(CN(CCO)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 581272001 JQRHIINZDAZJHA-LJQANCHMSA-N 424.457 0.698 30 20 HCED CCn1cc([C@H]2C[S@](=O)CCN2CCS(=O)(=O)c2ccc(C#N)cn2)cn1 582629184 DSUDQUQFSUCPBE-AKJBCIBTSA-N 407.521 0.749 30 20 HCED COCc1noc(CN2CCN(C(=O)C(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)n1 587699693 AZWFZYGGGRQPFO-AWEZNQCLSA-N 412.450 0.609 30 20 HCED CN(CC(=O)NCCS(=O)(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1 603575923 OFZLPCLHUJWVBH-UHFFFAOYSA-N 416.525 0.013 30 20 HCED Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1S(=O)(=O)NCC#N 609413210 BMXHFKPDQRSEAX-OAHLLOKOSA-N 422.532 0.934 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1 610693954 TZWUAQVSNJCWFF-AWEZNQCLSA-N 414.491 0.666 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 732465108 CLJDNRDSAJRFIN-ISLYRVAYSA-N 414.422 0.953 30 20 HCED COCCS(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 732521775 SAMIZEPMYRJUFH-UHFFFAOYSA-N 417.509 0.378 30 20 HCED CCN(CC)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 735585958 PHPKPWBSTZTDKD-XLNRJJMWSA-N 423.539 0.896 30 20 HCED COC(=O)N1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742583921 ULAWYUJNFFYBJN-GFCCVEGCSA-N 408.480 0.851 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1cnn(C)c1 743649587 MKPJEKWQVUZUBL-JKSUJKDBSA-N 419.507 0.867 30 20 HCED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 743852142 BKCICHULGWOZFQ-UHFFFAOYSA-N 417.531 0.877 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 746020176 KYGIUOGHPYTSQU-HMWBCQRISA-N 403.483 0.993 30 20 HCED CN(CC(C)(C)CN1CCOCC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 752369785 HYHOODLUFJXZKY-UHFFFAOYSA-N 408.524 0.542 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755198957 CVMYYAKFLMRCEE-ZDUSSCGKSA-N 403.464 0.165 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 756890390 JLVRWDYLYLVYIZ-AKGDUJLNSA-N 405.455 0.630 30 20 HCED CC(C)c1ncc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)s1 758592573 FNDHIWWNWBIBGA-UHFFFAOYSA-N 408.530 0.561 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 765156426 TVKFNJSVUFTKBO-VHSXEESVSA-N 416.481 0.967 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(C(=O)NCCO)cc1 765452835 NKXXQUYQCSPKNP-UHFFFAOYSA-N 402.432 0.086 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)Nc1ncccn1 767638133 QNVHVHIYEKXBRU-NWDGAFQWSA-N 403.420 0.585 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1CCCO1 773793111 GCFFGIOUQFSJSZ-ZWKOTPCHSA-N 419.441 0.780 30 20 HCED O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 774986182 WSNQWYSXLMPKQH-KDGRRTAISA-N 417.340 0.569 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CCN2CCNC(=O)C2)C1=O 781103968 HGDCJJLIMUXJET-OAHLLOKOSA-N 421.498 0.634 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCN2CCNC(=O)C2)C1=O 781104160 NFHMAFIFOKZKMC-CQSZACIVSA-N 423.926 0.839 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784866430 ZXYTVZSLEBNZQR-HEHNFIMWSA-N 400.460 0.533 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)nc12 784876759 ZFADRVSYXWXWQT-JKSUJKDBSA-N 411.418 0.791 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CCCN(S(C)(=O)=O)C2)c1 786476961 JXKIGISJUNDNBE-AWEZNQCLSA-N 416.521 0.979 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ncc(C)s2)CC1)c1cc[nH]n1 789977071 OOPFGBKGEVODRH-UHFFFAOYSA-N 406.468 0.807 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(S(N)(=O)=O)ccc3F)C2=O)cc1 792658910 OBKPGEYTIMKUBN-QGZVFWFLSA-N 416.434 0.876 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 793518836 WYCQUKXJRQZIBR-UHFFFAOYSA-N 401.511 0.279 30 20 HCED C[C@H](C(=O)O[C@H]1C[C@@H](OC(=O)[C@@H](C)n2cnc(C#N)n2)C1(C)C)n1cnc(C#N)n1 798848588 AXKBJGRFEJCBQY-LPWJVIDDSA-N 412.410 0.689 30 20 HCED C#CC[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1)c1ccccc1 800619791 VKTBZWJHWPNWLN-GOSISDBHSA-N 406.442 0.982 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 801116267 OHUFSTNBSBILKF-QGZVFWFLSA-N 405.520 0.783 30 20 HCED C=CCOC[C@H]1NC(=O)N(Cc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1=O 804167608 QHKMEDCZQMZELI-MRXNPFEDSA-N 422.507 0.246 30 20 HCED COC(=O)N1CCC(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 804684153 QVKKYVWSJXRNDI-CYBMUJFWSA-N 408.480 0.820 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1 805274868 FJMXRRUCPYIZAM-MNOVXSKESA-N 403.530 0.964 30 20 HCED 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0.970 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 1837254001 PVWZEGUIKIWXCP-GEPASTNRSA-N 403.479 0.081 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)n2ccccc2=O)CCO3)C1 1837680440 KRCHICZORURUIT-HTAPYJJXSA-N 415.490 0.832 30 20 HCED Cn1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)n1 1838906225 ZSXZVASGKPYLSC-QFIPXVFZSA-N 423.473 0.604 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1839174355 WEMDJHJELAJWDJ-HXUWFJFHSA-N 421.450 0.562 30 20 HCED CN(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362479 VXAMUZUSYNPEAY-QFIPXVFZSA-N 414.506 0.774 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839642434 OSAXXNQMPVJBIG-VGSWGCGISA-N 414.506 0.968 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839888499 RANIWMPZBKHJPV-HNNXBMFYSA-N 402.423 0.820 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839906425 VHHYZEGHOOTKIR-NRFANRHFSA-N 401.463 0.941 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4c(c3)CCO4)CCO2)C1 1839999632 MMYWAVOONBEJAE-VFNWGFHPSA-N 420.531 0.939 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840158377 JXNKMOKZKUPWBH-YVEFUNNKSA-N 414.459 0.171 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1840292684 FEEASBTYJAMKEY-FQEVSTJZSA-N 404.467 0.389 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840938400 RQHBMLRXYRYFJO-QUCCMNQESA-N 413.584 0.883 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(F)CCCC=C1F)CCO2 1840951562 NNMXRXBKQTZBPR-RTBURBONSA-N 412.389 0.276 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CCc4nc(N)n[nH]4)C3)c2c1 1844184332 YKWXDQZXJXPZFH-UHFFFAOYSA-N 419.449 0.585 30 20 HCED O=C(O)c1cnncc1C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844459405 VBSZINXFNRBJLH-SSDVNMTOSA-N 400.439 0.464 30 20 HCED CC1(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 1846197497 WMMZDVVCXILDAA-UHFFFAOYSA-N 419.478 0.925 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncn1-c1ccncc1 1847262940 NLOYYQOJXMZVKI-OOUWWJCLSA-N 420.473 0.941 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)cc1 29191434 RKGWYUJUGJPTMP-CQSZACIVSA-N 401.510 0.305 30 20 HCED C[C@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 29193852 SZSKANKWYJNDEO-LJQANCHMSA-N 401.492 0.673 30 20 HCED Cn1c(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C#N)c(=O)n(C)c1=O 52358578 CQTVZTCPILXETA-UHFFFAOYSA-N 403.464 0.352 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 60667881 QINCUAZGMDDVDF-UHFFFAOYSA-N 416.459 0.970 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(OCCN2C[C@H](C)O[C@@H](C)C2)CC1 409482228 DKFQVVHTYCLCAY-IKGGRYGDSA-N 402.561 0.913 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 409584467 AEYANDRHHJATHF-MRXNPFEDSA-N 423.539 0.773 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)n1 410135380 NIEFNTZVOCMGJH-KGLIPLIRSA-N 400.505 0.621 30 20 HCED CC[C@H]1CN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 427720741 GQXBOAPEHIIIOA-ZWKOTPCHSA-N 413.478 0.990 30 20 HCED Cc1c([C@@H]2[C@@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C)cnn1C 431355099 YLBMSUCRQKKEOO-JXFKEZNVSA-N 407.478 0.863 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 434818090 URAWNOQXKVTPQT-UONOGXRCSA-N 409.512 0.887 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1C#N 435494679 BKYKZKSOBISONO-HNNXBMFYSA-N 415.494 0.988 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 437065197 XZYJIVRLZTTYDT-SCLBCKFNSA-N 401.419 0.612 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N(C)C[C@@H](C)C#N 437404531 AXCZIYHJEBOYNE-ZDUSSCGKSA-N 408.480 0.487 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cn1 460609724 VZCQPGQCEXXKAD-KRWDZBQOSA-N 415.413 0.999 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(CCC(=O)N(C)C)CC1 462001083 GDRYNKRNCGQOFA-UHFFFAOYSA-N 410.482 1.075 30 20 HCED C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)C(=O)NC[C@H]1CCS(=O)(=O)C1 463732941 ZMNJQZGKXSSPFB-UONOGXRCSA-N 410.492 0.929 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@@H]3CCCCNC3=O)ccc21 471045432 SSIOKOOPPCGJSB-MRXNPFEDSA-N 411.462 0.993 30 20 HCED C[C@@]1(O)CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 471075976 SEBSSIYYGWXNBN-HXUWFJFHSA-N 420.535 0.628 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc4c(N(C)C)ncnc4n3C)CC2)c1C#N 472751711 OEUBMTUGLXAREY-UHFFFAOYSA-N 407.482 0.910 30 20 HCED Cc1nc(CN2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)n[nH]1 476406049 COLRGFMZUMLGGF-GOSISDBHSA-N 407.478 0.820 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H](C)CS(C)(=O)=O)c(C#N)cn1CCOC 481388705 SHAOUTGHONQIMY-LLVKDONJSA-N 400.457 0.737 30 20 HCED COCc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 487411835 IFKCIGNYPFZGBN-SJORKVTESA-N 423.477 0.711 30 20 HCED N#Cc1ccc(Br)c(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)c1 492532533 HMXMXPFSXBRYBL-CVEARBPZSA-N 414.325 0.596 30 20 HCED C=CCNC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc1 492994201 OZLCOZQYAYAZKM-UHFFFAOYSA-N 401.492 0.971 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 499706423 ZKZHHEJVQWBBIN-UGSOOPFHSA-N 410.478 0.651 30 20 HCED CN(C)C(=O)Cn1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1 500005171 AILDHZXTYNUBQK-UHFFFAOYSA-N 418.461 0.749 30 20 HCED CN1C(=O)NC2(CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)C1=O 508670460 MGKGOQPFFYVEKR-INIZCTEOSA-N 424.461 0.779 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc21 509724594 OFRDOIKRHUOKMG-INIZCTEOSA-N 418.413 0.831 30 20 HCED Cn1c(=O)nc(O)c2c(C(=O)N(CC#N)CC#N)cc(-c3ccc4c(c3)OCO4)nc21 511549323 CMKMWWBWSRJBNN-UHFFFAOYSA-N 418.369 0.919 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 512840650 XMBWZRJGAJGBLE-UHFFFAOYSA-N 414.554 0.780 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1 517981700 ITGGCLCPHKXSOF-UHFFFAOYSA-N 416.525 0.967 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1 520789988 MCRSAVBVEOXHHS-UHFFFAOYSA-N 416.478 0.777 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)CC1 521272459 CJHUCRRJEIKOGC-GOSISDBHSA-N 419.551 0.649 30 20 HCED C[C@@H](C#N)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 531796079 AKZDKURGJZEZER-AAEUAGOBSA-N 400.482 0.433 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 537069312 LTZBIWDYQFLTNQ-HNNXBMFYSA-N 423.535 0.907 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 537487913 WIQMGJTYLMJVCM-GOSISDBHSA-N 424.505 0.995 30 20 HCED N#C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccc(OC(F)(F)F)cc1 538427617 DZQZUBQUGVIHJL-GFCCVEGCSA-N 403.342 0.810 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)c2cccc([N+](=O)[O-])c2)n(C)c1=O 539366965 KMTBQMJRDOYMPL-UHFFFAOYSA-N 409.427 0.957 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 540452568 URIVBLIOQAZRNC-CYBMUJFWSA-N 402.546 0.316 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 540984427 DXLYUKQKHWJLGE-UHFFFAOYSA-N 401.510 0.919 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)cc1 545164129 MHPZIMOGUHHBNA-OAQYLSRUSA-N 400.479 0.622 30 20 HCED CCOC(=O)c1cnn(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1C#N 546797728 AEIHKTTZOPUBKV-KGLIPLIRSA-N 424.479 0.126 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(OC)nn1)[C@H](C)c1cccc(-n2cnnn2)c1 551765325 GCIACNBAZVQXNM-CYBMUJFWSA-N 408.422 1.175 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 552222973 RRLMKRMXLWMSQP-UKRRQHHQSA-N 414.491 1.003 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H](C)O1 552703133 KKBJKQWUEZPZBD-OKILXGFUSA-N 404.515 1.452 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 552867301 IMHYELILNAPYLJ-FXAWDEMLSA-N 414.506 0.549 30 20 HCED C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 559723347 UOOZKAQLWJNDJP-MRXNPFEDSA-N 411.506 0.766 30 20 HCED C[C@@]1(CNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOC1 573350197 JTRCTKUSIAAATK-FQEVSTJZSA-N 413.434 0.998 30 20 HCED C=CCN1CCC(NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 601873647 JQSUMANWLKJEDF-UHFFFAOYSA-N 422.555 0.935 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccn2)c1=O 603792058 TXNROQIAAJPZQD-UHFFFAOYSA-N 412.515 0.857 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 608984494 YHYBPABABNFTAC-UHFFFAOYSA-N 406.512 0.645 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 609632842 YMZCUMQXJSSMFI-INIZCTEOSA-N 408.524 0.714 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@@H]2C(N)=O)nc2ccccc2c1=O 610108284 PFDBINOZHMXKQK-CQSZACIVSA-N 415.475 0.861 30 20 HCED C=CCN(C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 681430298 INGHUMAJXOHGLT-HUUCEWRRSA-N 406.464 0.644 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 735080545 IYHCSZVBNZRLTJ-FBMGVBCBSA-N 404.448 0.384 30 20 HCED COC(=O)c1cccc(NC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 741339840 IWMQSGWSXKTZPU-ZCXUNETKSA-N 401.375 0.871 30 20 HCED N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2Br)c(=O)n1CC(N)=O 743728149 JVFOLESVXXEULU-UHFFFAOYSA-N 423.679 0.838 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)CCO)c1 743995117 CJZYODWOEMVACI-JWGURIENSA-N 424.523 0.963 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)cn1 746431271 ATPWHRRGMDZEDH-UHFFFAOYSA-N 402.377 0.458 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 748415294 JONSSHSDUXGHNP-CYBMUJFWSA-N 400.435 0.687 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)cc(F)c2)c1=O 755627216 KREHWJYBTWFRSB-UHFFFAOYSA-N 405.426 0.616 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757589067 FMAOQCCANJWPCL-GXTWGEPZSA-N 400.439 0.749 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)C1 758752385 BQQCCWUPCPNVEZ-UONOGXRCSA-N 408.503 0.337 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)ccc1OC 760118819 UBUPGMZFAHFVBB-ZIAGYGMSSA-N 401.423 0.822 30 20 HCED C[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 764273017 HFZCVAJIXOTLKU-JPDJOPTESA-N 410.496 0.715 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(COC)o2)c1=O 765144055 DJURZMUJSNJJOX-UHFFFAOYSA-N 419.503 0.571 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCOC 767871716 HRMJZLWXHCKHQS-UHFFFAOYSA-N 422.532 0.059 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)CC1(C#N)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 771077552 JHDTWRPPSHRIFE-LBPRGKRZSA-N 424.504 0.644 30 20 HCED C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 771375863 BLABNEASEHGQIU-GOSISDBHSA-N 407.833 0.914 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCSC)c2=O)cn1 772312142 QJJLUDOVERKYCE-UHFFFAOYSA-N 401.517 0.351 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)[C@H]1CCCO1 773795631 WGXOIZRVUJUMOY-GDBMZVCRSA-N 410.434 0.784 30 20 HCED C#C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)[C@@H]1CCCO1 776228592 ABWPWMWPFQYTJJ-MSOLQXFVSA-N 419.503 0.738 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782249392 JYUZWHGCIAQYPC-UHFFFAOYSA-N 416.484 0.932 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCCCS(=O)(=O)N(C)C)ccc1F 782694642 GIOFSLILBYBMLD-UHFFFAOYSA-N 408.473 0.728 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccccc1N1CCN(C(C)=O)CC1 783204962 QBCLICYJZXWBJP-UHFFFAOYSA-N 408.524 0.755 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 785162066 ZGYSCTXGAGVWOH-LTGZKZEYSA-N 406.464 0.204 30 20 HCED C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@@H]1CO 786012634 WMPHCUOEUAVKME-ZNAFYTPQSA-N 422.507 0.667 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 787755303 KVAJFTKILPGYIR-UHFFFAOYSA-N 424.436 0.605 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1 787756758 RCWOHTVXWZPZJU-KRWDZBQOSA-N 400.483 0.195 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC12CCCCC2 787787174 HUGLZSSLOZQMHP-UHFFFAOYSA-N 412.494 0.875 30 20 HCED N#Cc1ccc(NCCNC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)nc1 790174565 SDGIPKSJGXJSRR-UHFFFAOYSA-N 403.464 0.631 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@@H]1CCCO1 793904890 YIXFYNQARKGQPT-ROUUACIJSA-N 421.519 0.629 30 20 HCED CCOC(=O)N1CCC(NC(=O)CN2CCN(c3cnccc3C#N)CC2)CC1 795041859 LGSAHKYWSZPKLB-UHFFFAOYSA-N 400.483 0.812 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 800907458 JOMIPJMBKQIGSL-CQSZACIVSA-N 400.526 0.490 30 20 HCED COc1ccc(CNC(=O)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1C#N 807103105 ZOFHGSCOSOLYMK-INIZCTEOSA-N 400.479 0.800 30 20 HCED COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808027386 ADSXKPVORPZMKG-QWHCGFSZSA-N 419.486 0.238 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 813634651 CGAOFFWPOSLDCL-KRWDZBQOSA-N 421.523 0.625 30 20 HCED CCc1ccc(C#CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 814543880 CVEDFLMWCFXCEJ-GOSISDBHSA-N 424.544 0.262 30 20 HCED Cn1c(S)nnc1CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 818193255 CJYFPGDCZBHQNW-UHFFFAOYSA-N 422.536 0.672 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)NCc1ccccc1 915200997 CSGALKVVDUBFNG-UHFFFAOYSA-N 414.487 0.938 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4c(c3)c(C)nn4C)CC2)o1 915384798 AYZSYLASHAVJBJ-UHFFFAOYSA-N 423.433 0.950 30 20 HCED CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)C1CCN(S(C)(=O)=O)CC1 1319469147 PEYJCMIUHJSUQR-OAHLLOKOSA-N 417.491 0.867 30 20 HCED C#CCn1ccc(CN(CC)C(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)n1 1335921511 SVCPUMXFXICABX-HNNXBMFYSA-N 404.492 0.838 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCCN(CCN4CCOCC4)C3)cc2)c1N 1455213448 RXKFMMOIDUFGLA-LJQANCHMSA-N 423.521 0.853 30 20 HCED COc1ccc(CCC(=O)N2CCCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)cc1 1458147902 PNRKEOCLLGTJLX-UHFFFAOYSA-N 411.462 0.625 30 20 HCED CCCNC(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1515080207 WFIQWBDULOCAHD-BEFAXECRSA-N 406.487 0.575 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCNC(=O)c1ccco1 1543318067 OKPSXZSPUDXXAF-AWEZNQCLSA-N 421.465 0.986 30 20 HCED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1611599358 OOBSUVRBURILCP-NVXWUHKLSA-N 400.531 0.527 30 20 HCED C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1613025834 IGGRMMPZBVGYSE-KUHUBIRLSA-N 419.507 0.837 30 20 HCED COC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1619607380 NSBRTNUZIJIVQS-KBPBESRZSA-N 420.495 0.660 30 20 HCED CCC[C@@H](O)[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642392434 NPIQDRXDHKXOOQ-ZWKOTPCHSA-N 409.508 0.597 30 20 HCED CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1729311407 NNTGFIKBQGBWPT-KSSFIOAISA-N 408.528 0.789 30 20 HCED CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)NC 1764914024 RBQYRNHYEJNMKP-UHFFFAOYSA-N 403.512 0.588 30 20 HCED CN1CC[C@@](O)(Cn2c(CN3CCCC3=O)nnc2N2CCC(C)(C#N)CC2)C1 1769064582 YFGWIJRXTFAIAE-FQEVSTJZSA-N 401.515 0.597 30 20 HCED CO[C@@H]1COCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1769138959 YKDJIHRQAHPRJM-SPYBWZPUSA-N 406.462 0.894 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778788997 PHYJWFFGHXEKET-MLGOLLRUSA-N 405.398 0.092 30 20 HCED CCn1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016341 RWDKRGGQQSYCQF-DOAWATSRSA-N 402.499 0.818 30 20 HCED CCc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)nn1C 1779910870 FZRGJDIDMJGVQI-OXQOHEQNSA-N 402.451 0.198 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1780169134 ZXGJFJRYNOPHDX-FQEVSTJZSA-N 410.434 0.453 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1781028773 FHLJXBITUNOAKT-XVLCXLANSA-N 422.526 0.830 30 20 HCED C[C@@H](Nc1nccs1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010546 YMDYZZKMZZXRQF-PJIJBLCYSA-N 420.491 0.545 30 20 HCED Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)ccc1O 1782013849 RBJZQSTYVNPHPE-DYESRHJHSA-N 400.431 0.916 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](O)NC(=O)OCC)C2 1782193555 YXKGOPPBUZHFEL-WRWLIDTKSA-N 409.483 0.368 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc3cc(O)ccc3n1)CCO2 1783561882 NYIBGLOTLOJDBT-NRFANRHFSA-N 409.398 0.472 30 20 HCED CC[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(OC)cc3C#N)C[C@@H]21 1783958066 CHTLEJRODOPTEI-KNTRFNDTSA-N 415.490 0.860 30 20 HCED O=C(CCn1cncn1)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1784340461 ODWJYOSDSRUXDS-DKLCPLSMSA-N 400.439 0.210 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4CC[C@H]5CCC(=O)N5C4)CCO3)C2)CCC1 1785367244 DNWHVHIGYLXUKO-JLHGSKIFSA-N 414.506 0.911 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCOCC3)[C@H]2C1 1786746609 GNMJVWKNLQNDPV-VJANTYMQSA-N 424.542 0.489 30 20 HCED CS(=O)(=O)Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)cn1 1787250039 XPLMYXNGBVEIFD-XIRDDKMYSA-N 420.491 0.133 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc4ncnn4c3)[C@H]2C1 1789718356 YKGNFJQJFVAQCQ-OEAJRASXSA-N 403.508 0.570 30 20 HCED N#Cc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4CNC(=O)O4)C[C@@H]32)c1 1790225406 LFECLVVHKVYSIT-CSFVBSKPSA-N 416.409 0.399 30 20 HCED N#CC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cnc5c(c4)CCNCC5)[C@H]3C2)CC1 1790619591 JGOJFRQRWVCMKB-QRFRQXIXSA-N 423.517 0.667 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)C[C@@H]21 1791076870 NNGYIKINEQPLLU-MPGHIAIKSA-N 408.414 0.311 30 20 HCED COc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]3C2)cc1OC 1791078909 JILAZLAPYMPSBX-MPGHIAIKSA-N 416.430 0.385 30 20 HCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C[C@@H]21 1791264261 CHLFNAAMCGLQRB-DNUAJFIVSA-N 421.567 0.630 30 20 HCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)nc4sccn34)C[C@@H]21 1791275937 USRSJRNPOZLBKQ-YDHLFZDLSA-N 402.476 0.925 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4cnn5c4OCCC5)C[C@@H]32)CCC1 1792140963 ZJCXCKSSKDWMKY-XIRDDKMYSA-N 413.478 0.953 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)nc1)C2 1792484547 KUEOMXQMZGIBHE-DUGXABPWSA-N 414.462 0.152 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(N(C)C)o1)C2 1792563223 MOGMYGSVQYAFMU-MQRSDUHLSA-N 401.467 0.851 30 20 HCED COC(=O)N[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C#CC(=O)O)C2)c1ccccc1 1792905969 GBFDDDLYMCEEON-YYAJDYIMSA-N 413.430 0.810 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ncccc1OC)C2 1793340929 SIRCNCINTWNTDC-OPOADAIRSA-N 415.490 0.651 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)c(C)c1N)C2 1793342333 DEGVBDICLNFOMT-ZTENYAIWSA-N 403.454 0.958 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc3ccccc13)C2 1793343291 QTRDBZXOZWTEEF-MFCZKXCZSA-N 408.458 0.871 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1793370080 YJFKEGKGTNUNJU-RUGDWHBFSA-N 419.503 0.442 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)ncn1 1793726591 JYZSEBLRXVFYMV-YROLKPMGSA-N 403.439 0.963 30 20 HCED COCCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1795355307 TTZLVHZKZKONDB-UPHUGPLXSA-N 419.453 0.492 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn3ccnc13)C2 1795599005 JUHDWOCVWLKBOE-ALXJQNPVSA-N 424.505 0.819 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2[nH]nc3ncccc23)c1 1796216826 OOPBTJKSSOUAGK-YWVIFJGQSA-N 405.418 0.675 30 20 HCED C[C@@H](NC=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1799284940 IVCKSLXSVJDZLE-JNNRSPCRSA-N 403.866 0.416 30 20 HCED N#CCc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(O)nn2)C3)cc1 1799640132 VPLGAOOXPNNHTJ-HGKCTWBKSA-N 407.430 0.765 30 20 HCED CC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799752056 BOKQUROPXFJZJU-ZSBFGKGUSA-N 404.854 0.551 30 20 HCED CCCOc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1 1800778887 VHPJRIHSSUETQV-CWPLJXCYSA-N 400.431 0.767 30 20 HCED C=CC[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCOCCOCCOC 1800839678 WANFAHVDIDSVMF-FTEYMNFISA-N 412.527 0.858 30 20 HCED CC(C)n1nc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)cc1C(=O)O 1800982536 LWOCAMDXPFXMEQ-OHTBPHCPSA-N 410.496 0.684 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)nc3cccnn13)C2 1800993670 YMCRZKQAIQUQHJ-YVWYUNDQSA-N 409.446 0.096 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)c2ncon2)[C@@H]1c1cccnc1 1802487568 KLPQPVVPDMDRER-RBVSRTDUSA-N 410.434 0.643 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@@H](C)NC=O)[C@@H]1c1cccnc1 1802487781 MJVVJLZACXAJAN-PWCCKZLBSA-N 413.478 0.080 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(O)n(C)n2)[C@H]1c1cccnc1 1803545132 KJQSVLMMXHTANJ-OGWOLHLISA-N 411.462 0.879 30 20 HCED C=C(C(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@@H]1c1cccnc1)C(F)(F)F 1807617568 MHCKCHBRYNBCBC-ZFWWWQNUSA-N 409.372 0.893 30 20 HCED N#CC1(C(=O)N2CC[C@H](CNC(=O)c3cnc(O)nc3O)[C@@H]2c2cccnc2)CC1 1808280606 VONFHTBZNCXMCF-HIFRSBDPSA-N 408.418 0.906 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCNC(C)=O)[C@H]1c1cccnc1 1812654465 JZMRVJBOXJIEEN-XFQXTVEOSA-N 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0.373 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ncccn3)CCO2)C1 1833162328 VEMSDZSXTFVCGQ-MJGOQNOKSA-N 408.524 0.430 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1833430498 YPIQUHNJLFUDRM-HXUWFJFHSA-N 415.450 0.249 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cnc(C)[nH]3)CC2)CC1 1833465140 NKPHIGLNJRCDOQ-HNNXBMFYSA-N 401.511 0.942 30 20 HCED Cc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1833810118 AGHCMUBSLLHNKJ-QHCPKHFHSA-N 420.469 0.907 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1834025354 QSACUFMKESTJGL-JOCHJYFZSA-N 406.442 0.598 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n(C)n1 1834165728 UQCNSSPHFORYNC-FQEVSTJZSA-N 401.467 0.492 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834583270 IEWSNQYEKKSWDN-LPHOPBHVSA-N 409.508 0.812 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1834767881 ZHQVPUOGMKDPOG-LJQANCHMSA-N 420.397 0.646 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4CNc5ccccc54)CCO3)C2)CC1 1835716328 WIMCMWNJPAEEBM-JTSKRJEESA-N 410.474 0.956 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc(N)s2)CCO3)c1 1835845219 JKZRCOMOMCZLFB-SFHVURJKSA-N 416.463 0.309 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1cc(Cl)cn1)CCO2 1835976099 IAZJHQYXAKOJOP-IBGZPJMESA-N 408.886 0.796 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)CC(=O)N3)CCO2 1836791264 NZTNWNAHAIZBMM-JOCHJYFZSA-N 411.458 0.665 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(F)n4)CCO3)C2)CCC1 1837911494 LUHJCFVJVNXMBD-FQEVSTJZSA-N 402.426 0.985 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cncc(O)c4)C3)C2)c1 1838741798 BSZJFEQVYIVYFW-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838798483 XDKDTEHEXQTCON-QFIPXVFZSA-N 423.473 0.751 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)C(C)(C)C)C2)C1 1839222621 TWUVTTFQOJIOAX-GUXCAODWSA-N 413.515 0.651 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1839223727 GTWIYLMQIJJQQL-DNVCBOLYSA-N 408.455 0.854 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1839224656 WQXBHBSKNLAQCS-JXFKEZNVSA-N 404.467 0.953 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1839679737 OSKIEVUOAZRSNS-FCEWJHQRSA-N 401.573 0.739 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2)C(F)(F)F 1839898973 WQMHTKMRJPIVPW-INIZCTEOSA-N 420.384 0.515 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3O)C2)C1 1840169891 HYTOEAVOJSJOPL-NRFANRHFSA-N 402.447 0.971 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)ccc4O)C3)C2)CCC1 1840815486 SWSXJUUZCLFRLQ-OAQYLSRUSA-N 415.446 0.862 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840876851 GYDJTFXFUBQUKH-FUHIMQAGSA-N 411.499 0.670 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)c1 1844725794 KZDUJYMIBCVEJZ-UHFFFAOYSA-N 422.378 0.109 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC)C1 1846338139 QNRYDLZAAYUJEH-WMXNSBIJSA-N 415.490 0.804 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1nccn1)C2 1847071108 CFLURQYQAWTUOZ-HNNXBMFYSA-N 416.482 0.398 30 20 HCED CN(CC(=O)N1CCC[C@H](C(=O)NCC2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 49190405 NTLMQUZGXDHYOS-KRWDZBQOSA-N 418.519 0.944 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 147975372 UAUARBWVOPTZMT-INIZCTEOSA-N 408.414 0.938 30 20 HCED COc1ccc(CC(=O)Nc2ccc(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 409719256 APVSBIFXWLANOF-UHFFFAOYSA-N 416.459 1.164 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)CCS(=O)(=O)c1ccc(C#N)cc1 433065364 CDFAHWFYMVTJAU-UHFFFAOYSA-N 423.516 0.990 30 20 HCED CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 439980553 WDSHDVUVWGMTMI-INIZCTEOSA-N 410.478 1.264 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)OC)[C@@H]2C(=O)OC)cc1 442107641 FPHYQXKUSKGZHP-HZPDHXFCSA-N 424.475 0.718 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)Nc3nn(C(C)(C)C)cc3C#N)cnc21 443415333 FVQDOEFUQVQMTC-UHFFFAOYSA-N 403.424 0.658 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cn1 443420663 VSUNECAJOIBHFR-UHFFFAOYSA-N 401.408 0.040 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 443489336 VKFBBFPDDVTMHE-INIZCTEOSA-N 418.450 0.579 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1C1CC1 461333144 RDBVOZFCSGHTPU-UHFFFAOYSA-N 417.462 0.658 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCNC(=O)[C@H]3c3cccs3)CC2)o1 464761043 CAPUBOGLFNNURD-QGZVFWFLSA-N 414.491 0.738 30 20 HCED N#Cc1cccc(-c2cc(C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)on2)c1 468916489 JKMOUEWQVMIWJP-UHFFFAOYSA-N 406.402 1.521 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)CC2)c1C#N 472990448 ONCFUXBMRWRVKF-NRFANRHFSA-N 421.461 0.617 30 20 HCED COC[C@](C)(C#N)NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 474145233 PMWKOTSRVPJVHO-SFHVURJKSA-N 411.480 0.303 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(C)(C)O)C[C@H]1C 474219146 VRXIARNSTYHHCI-CABCVRRESA-N 408.524 0.529 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)nc1 475692885 CDWGIBMZCAFQNI-UHFFFAOYSA-N 410.482 0.836 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCC#N)CCN1CCOCC1 481210514 SHVNOHPQAYARDD-MRXNPFEDSA-N 419.507 0.300 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)NCCc1ccccc1 481243805 XCUDEQAQHDBSNS-OAHLLOKOSA-N 414.487 0.700 30 20 HCED CC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 486481201 SSOHPMFVNMQZJM-MSOLQXFVSA-N 413.478 0.596 30 20 HCED CC(C)c1nnc2n1CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C2 490607358 MHVGSRATUBREBY-UHFFFAOYSA-N 402.480 0.936 30 20 HCED CC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](O)C(F)(F)F 498498947 HAIQHOGRQFLRJT-OLZOCXBDSA-N 410.356 0.955 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C1=O 501439591 QTPLSBOYPYHWHY-INIZCTEOSA-N 422.432 0.985 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCc2cc(S(C)(=O)=O)ccc2F)CC1 508100861 HVMSVFXRSZQJEG-UHFFFAOYSA-N 412.487 0.359 30 20 HCED CN(C(=O)Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1)c1ccccc1 509015373 KSXIUPPOQWYVBR-UHFFFAOYSA-N 407.430 0.587 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 513354029 YGSVQCDSAFVLSD-CQSZACIVSA-N 418.523 0.590 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)C2)nc1 514310988 HUXGOCOJZOJBOI-MDZRGWNJSA-N 420.491 0.852 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCc1ccccn1 523178080 ANFBSYZEEBFNRM-UHFFFAOYSA-N 420.494 0.805 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1cnn(CC)c1 523859112 DSRTYAOPUGXLOX-UHFFFAOYSA-N 411.512 0.982 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(CC(N)=O)CC2)CC1 531838738 VOWFIMDRXLMNIQ-UHFFFAOYSA-N 412.450 0.652 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 532927497 YLVMSJSRSZAIPC-CYBMUJFWSA-N 420.495 0.335 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 535084609 SBKRJKIYIIWWDK-GPANFISMSA-N 407.496 0.976 30 20 HCED COCC1(O)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543933920 ZDQOCMAEFSWKFQ-UHFFFAOYSA-N 401.398 0.821 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1=O 549364871 OOJMQFKIPWYOMO-UHFFFAOYSA-N 416.825 0.611 30 20 HCED CC(=O)N1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 550483015 GSTGPUKQFXBMBH-KRWDZBQOSA-N 415.469 0.909 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 557497280 IBAGYPMTCJDCRE-RHSMWYFYSA-N 422.507 0.321 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)CC1 560051277 IXQGQYLGIZDBMQ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCc2ccccc21 560857254 WDGHBANHEZIDDE-CQSZACIVSA-N 409.494 0.822 30 20 HCED C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C[C@@H](C)O2 570860758 CBQZPLPRJHXDEQ-CKNLXJGOSA-N 410.434 0.872 30 20 HCED 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COC(=O)Cc1c(C(=O)OC)sc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c1C#N 29006513 ICLWWESZVKXACG-UHFFFAOYSA-N 420.403 0.468 30 20 HCED C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29254511 MHPVCHDYHBKDMD-HIFRSBDPSA-N 400.483 0.658 30 20 HCED N#CCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 49749034 AQWQMHFDTBFHGC-UHFFFAOYSA-N 402.432 0.591 30 20 HCED C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1 55348536 YNNOLWJBIDFQFI-HNNXBMFYSA-N 414.487 1.000 30 20 HCED CCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 58910574 MDZBTXHMRNUUOQ-UHFFFAOYSA-N 406.508 0.958 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C#N)CC3)CC2)cc1 142054486 QEIRKOGTWDUFIJ-UHFFFAOYSA-N 406.508 0.764 30 20 HCED N#CCCNC(=O)COC(=O)[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 206389561 GPYZAQVEIPBXJE-AWEZNQCLSA-N 404.448 0.563 30 20 HCED CS(=O)(=O)NC[C@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 409836378 BKECFALJBQHHLP-ZYHUDNBSSA-N 402.454 0.463 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[C@@H]1O 426123911 QGQJEINIIFDXON-RDJZCZTQSA-N 406.508 0.094 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 437050104 KIEZHSFJFYFPTG-WMLDXEAASA-N 422.507 0.902 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1C#N 439392290 LPJOEHSNCHOQNA-UHFFFAOYSA-N 408.480 0.811 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F 440098387 FRPOKSVHVUQMGX-GXTWGEPZSA-N 422.367 1.300 30 20 HCED COC(=O)CN(CC(=O)OC)S(=O)(=O)c1cc(Br)cc(C#N)c1 443477759 XZFXKWGZWRPLJB-UHFFFAOYSA-N 405.226 0.657 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccn2)c1=O 443570104 ZJLSVNSGSIHBLW-UHFFFAOYSA-N 416.528 0.030 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C 446532170 PARUPNWHKKLBSG-UHFFFAOYSA-N 401.467 0.368 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 446532279 PSCGOZKUXGZXDI-UHFFFAOYSA-N 422.449 0.152 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC[C@H]3CCCO3)n(C)c2=O)cc1C#N 461366450 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XLAIMSVINILBPN-RBUKOAKNSA-N 400.439 0.870 30 20 HCED CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481252476 FNDDLYKIJJNZTR-CZUORRHYSA-N 424.548 0.995 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cc(C#N)cs2)c1=O 481985162 WVUBTILQKLHPQX-CYBMUJFWSA-N 414.512 0.661 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn(C)c1=O 488681697 DJDVLDIXDMGBFK-QGZVFWFLSA-N 407.430 0.421 30 20 HCED C[C@H]1CO[C@H](CO)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 492378568 ZZWQSKQAHHFTJT-YOEHRIQHSA-N 407.492 0.567 30 20 HCED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 497853893 SFJQBWYUWILBOS-RTBURBONSA-N 410.522 0.935 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2CCN(CC#N)CC2)[C@@H](C)O)cc1 500630216 GXXVTUBHVRVNPI-QAPCUYQASA-N 408.524 0.375 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)CC2)c1 501631181 YMPLDTTWGACMNA-IBGZPJMESA-N 410.522 0.983 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 501851613 PDWSPXRVZJBDKR-MRXNPFEDSA-N 421.523 0.295 30 20 HCED O=C(NCCNC(=O)c1cc[nH]n1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 505274216 MKPUCBNKUVRECL-UHFFFAOYSA-N 402.414 0.689 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508477110 JGRDPPIOJWIGCH-UHFFFAOYSA-N 418.483 0.505 30 20 HCED CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)NCCn3cnc(C#N)n3)c2)n1 510605684 GAOXYVOVQGWLMN-UHFFFAOYSA-N 409.410 0.611 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 512467638 DVOXLTQDTHIVOD-RTBURBONSA-N 405.543 0.392 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(CC(C)C)c1=O 512785827 PFGSLAWPKDANHY-UHFFFAOYSA-N 403.508 0.048 30 20 HCED Cc1nccn1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 522199718 JPYZFFKEFDPOLF-UHFFFAOYSA-N 402.480 0.779 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 539203363 FRMIKRMKMYMUSK-OAHLLOKOSA-N 401.471 0.039 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)n1 542997231 NPRBXVLWGWCNGN-ZDUSSCGKSA-N 402.798 0.049 30 20 HCED COc1ccc(CC(=O)N(CCC#N)CCC#N)cc1S(=O)(=O)N1CCOCC1 552363212 HHXWUKHVXYYJJJ-UHFFFAOYSA-N 420.491 0.915 30 20 HCED CCN(C1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1)S(C)(=O)=O 555772366 ZHWWKKUAEVKJJX-UHFFFAOYSA-N 404.492 0.720 30 20 HCED Cc1nccn1CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 557249369 GGHKOALBERWGIS-UHFFFAOYSA-N 423.433 0.776 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)c1C#N 570387560 ZYBRRSOSFMVTNR-ZDUSSCGKSA-N 408.509 0.992 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC1 571546857 VIISDGJLIIJNIU-UHFFFAOYSA-N 415.538 0.361 30 20 HCED Cc1nn(C)cc1[C@H](C)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585774066 ZUKXEXAYIPLZNA-LBPRGKRZSA-N 411.466 0.992 30 20 HCED Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1S(=O)(=O)NCC#N 608868526 BJOUDDXXTSYSAI-INIZCTEOSA-N 420.491 0.260 30 20 HCED CC(=O)NCCc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)s1 609157912 ILLCWKFRZOWMEB-UHFFFAOYSA-N 414.553 0.663 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 610797085 DSNLWAFWAGNDAR-NVXWUHKLSA-N 406.508 0.548 30 20 HCED Cn1nnnc1CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 611330970 ZQDKTEJKOSHYLG-UHFFFAOYSA-N 412.433 0.463 30 20 HCED CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)s1 614837915 CAHHKPOOJIAKPI-UHFFFAOYSA-N 411.469 0.642 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@](F)(C#N)C2)c1 615608347 QPGBQGJUIRFHLF-GOSISDBHSA-N 410.471 0.911 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(=O)n(CC)c(O)nc3c2)CC1 729257221 WRESMFXOSNAFJV-UHFFFAOYSA-N 411.462 0.019 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CSCC(=O)Nc2ccc(C)cc2)CC1 729257626 KKRDPOMNUPLMDE-UHFFFAOYSA-N 416.547 0.950 30 20 HCED Cc1ccc(N2C[C@@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1F 732909620 DROJJMZPVFYZIV-ZFWWWQNUSA-N 421.450 0.453 30 20 HCED C#CCN1CCC(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 732917066 WVMQQUJIHZVBFA-IBGZPJMESA-N 412.538 0.743 30 20 HCED CN(C)CCN1CCC(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733976163 IGDJEFHBRKYLAY-UHFFFAOYSA-N 421.567 0.505 30 20 HCED COC(=O)[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737277890 TTZBSSCADSPLLS-DRPFOCBESA-N 424.479 0.363 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1 742050317 HJKLOILFWZMQRI-ZDUSSCGKSA-N 417.491 0.440 30 20 HCED CC(C)[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC1 742508522 QPUUTKUSBRIPQY-NVXWUHKLSA-N 422.551 0.977 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)c1 746554307 HOEWMXKDROZIJD-UHFFFAOYSA-N 405.407 0.835 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 747045328 PFHNAFIXOXBIIR-SECBINFHSA-N 403.254 0.700 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1 749666347 IZFHXTCSPQOXRI-UHFFFAOYSA-N 400.479 0.650 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCOCC2)cc1C#N 752404154 UPUVRPHIZHWKRL-MRXNPFEDSA-N 404.423 0.969 30 20 HCED CS(=O)(=O)N1CCN(CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 761675048 MJRUECAAWWMIDB-GOSISDBHSA-N 421.523 0.218 30 20 HCED C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H]1N1CCN(C)CC1 765351602 WQFVEGXIHOWBEK-WBVHZDCISA-N 419.551 0.210 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N(C)C(C)(C)C#N)C1=O 771436258 JDNQGLFSWLERFX-HXUWFJFHSA-N 416.434 0.766 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(CC(N)=O)c2=O)cn1 772311573 FDCZHJUJWUNIKT-UHFFFAOYSA-N 419.466 0.387 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 773128887 HHPDECFRIYUEIP-UHFFFAOYSA-N 401.444 0.643 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCCO1 773790427 AWCRFQXETNNGJO-IAGOWNOFSA-N 407.492 0.953 30 20 HCED COC(=O)C1=NOC2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)C1 778082945 MEHHLTQASUZQKD-UHFFFAOYSA-N 408.392 0.939 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(-c3ccccn3)n2N)CC1 779762285 GMVXEERTISWYSN-HNNXBMFYSA-N 400.512 0.838 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(C)(CO)CO 780993502 QTSYSJVSQVLCSL-HNNXBMFYSA-N 411.524 0.733 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 782179718 WVCHDDYVJWSVKI-IBGZPJMESA-N 421.475 0.909 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)CC3)C1=O 782465010 XCULUWSNMARKDC-KBPBESRZSA-N 420.466 0.964 30 20 HCED Cc1nc(Cn2nnc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c2C)no1 786491699 SNAUIUAOFPBZTE-UHFFFAOYSA-N 407.456 0.860 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)n1 789788761 VPRKNIXPYQFVAP-UHFFFAOYSA-N 408.422 0.106 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NS(=O)(=O)CC1(C#N)CC1 793195791 OHQQFSATERPAJR-LBPRGKRZSA-N 414.484 0.252 30 20 HCED CC(=O)N1CCN(C(=O)COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 796279442 MBHLQOBFEMHYCQ-UHFFFAOYSA-N 403.439 0.305 30 20 HCED N#C[C@H](C(=O)CCn1cnccc1=O)c1nnc(N2CCOCC2)n1-c1ccccc1 796759111 DBQVBFRJRVEZQS-QGZVFWFLSA-N 419.445 0.927 30 20 HCED C=CCNC(=O)NC(=O)CN1C(=O)c2ccc(Br)cc2S1(=O)=O 804922020 QDYPYYUXAGMNJB-UHFFFAOYSA-N 402.226 0.605 30 20 HCED C#CCCCS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 804956019 VRGRLZZPQBGGGJ-MRXNPFEDSA-N 400.522 0.977 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 805059746 CUFWLTNLVTXZPL-HUUCEWRRSA-N 407.515 0.852 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 806763158 NBODMBDMHOQRAE-CQSZACIVSA-N 416.482 0.631 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1 807401551 RCNLOVFLNAQQPG-LBPRGKRZSA-N 403.439 0.967 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1)[C@H]1CCCO1 809307904 HYNMXAHAUZEZDS-IAGOWNOFSA-N 414.462 0.204 30 20 HCED Cn1c(=O)c2[nH]c(NCCCc3nn(-c4ccccc4)c(N)c3C#N)nc2n(C)c1=O 809346033 BZLQXQWMWLSDFS-UHFFFAOYSA-N 419.449 0.645 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 810270769 FALSLRUJVQNJEG-UHFFFAOYSA-N 405.476 0.156 30 20 HCED CN(C)C[C@](C)(C#N)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813376338 JBCXKTMVQZNJSF-KRWDZBQOSA-N 414.915 0.935 30 20 HCED C=C[C@@H](O)C(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 814543666 BRIYNGZFJPGLAA-UKRRQHHQSA-N 412.464 0.433 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CCO)CC2)c1 815773305 JMAOIOWOCOGYTG-QNGOZBTKSA-N 408.480 0.469 30 20 HCED Cc1c(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)nnn1-c1ccn(C)n1 816039362 UOBBWXPBWNVLLB-CQSZACIVSA-N 408.378 0.856 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2csc(C)n2)c1=O 838225186 UVGDCWRCXPBTNA-UHFFFAOYSA-N 406.533 0.596 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 916871452 WBPOUKMQZDEDGS-YOEHRIQHSA-N 413.430 0.937 30 20 HCED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1 1006318368 MRWAKRIZTJIOGW-ZRSRNVLSSA-N 400.523 0.304 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccncc1OC[C@@H]1CCOC1 1117411040 NYZBEGZYQUEZRM-ORIGZDJFSA-N 415.450 0.823 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(=O)N(CCC(F)(F)F)C3)CC2)o1 1307775371 LNVCPGXXAHOPEQ-UHFFFAOYSA-N 414.388 0.557 30 20 HCED COCCn1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1=O 1319277688 FVMHYBVPXXRBJZ-ZDUSSCGKSA-N 418.475 0.951 30 20 HCED COCCNS(=O)(=O)c1cccc(C/N=C2/NS(=O)(=O)c3ccccc32)c1 1321905467 LJXPDRWRSRXWEM-UHFFFAOYSA-N 409.489 0.850 30 20 HCED CC(C)NC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1360294746 NFGZKCFDDWJDHM-SFHVURJKSA-N 408.510 0.965 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(CO)(CO)C1 1470677743 PLJZOULFQIZFTQ-HNNXBMFYSA-N 409.508 0.389 30 20 HCED N#Cc1cncc(S(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 1475550662 MNGNCNRMGWMTCQ-UHFFFAOYSA-N 420.516 0.662 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1515288333 RSEVETCQDKQZDG-UHFFFAOYSA-N 410.482 0.756 30 20 HCED N#CCCN(C(=O)CCC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O)c1ccccc1 1640669408 WBVNVKMFLMZDHZ-QGZVFWFLSA-N 421.523 0.888 30 20 HCED CC(=O)N1CCC(N(Cc2cncs2)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1669386467 NHVOFACMFANLTC-HNNXBMFYSA-N 413.525 0.425 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NC2CCCCC2)CCO1 1698494062 QXHQIWQKIYIUPF-HUUCEWRRSA-N 401.471 0.407 30 20 HCED CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1712092021 MJYRDHJZBHTGNC-OWCLPIDISA-N 404.471 0.294 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)C1 1731178837 VBPPYZCVYUPKBS-HXUWFJFHSA-N 419.505 0.803 30 20 HCED CCCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1745794457 RRXCXVXKLUAVGL-HNNXBMFYSA-N 412.450 0.971 30 20 HCED CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1760811253 YDNSQFGOJUTKEY-RRFJBIMHSA-N 411.528 0.970 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1769366120 IRPPKRMRIXXYRA-UHFFFAOYSA-N 417.539 0.896 30 20 HCED COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CC1=O 1771127329 UBCZTGOORXSNFT-MRXNPFEDSA-N 423.477 0.248 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(OCC)cn3)CCO2)C1 1778966738 CRFFJTKLAHKPJT-KKSFZXQISA-N 418.494 0.892 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107745 YIPDKEJCRHOUBA-JJOCEZFHSA-N 410.515 0.686 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1779124549 AUWZOVHEHXQTDF-LLNOCIOQSA-N 414.462 0.685 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1 1779138951 KTTLTCCMWXQLDP-YUSOBQLHSA-N 413.434 0.641 30 20 HCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1779315009 HLCGNTRDEUIYDQ-STXHMFSFSA-N 407.515 0.758 30 20 HCED N#Cc1cc(CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C(O)O)C3)ccc1F 1780754437 WTRUMLPVSXLEQM-OXQOHEQNSA-N 405.426 0.064 30 20 HCED NC(=O)c1ccccc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1780992401 FYWXMXZNKWRTLF-IIBYNOLFSA-N 413.430 0.001 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781174859 UJNAYRWGMDGDTF-DENIHFKCSA-N 414.506 0.937 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1781270394 LACQKJOJSMBCSN-HXUWFJFHSA-N 403.435 0.273 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1781399208 CDORLALDVMYYFE-FOIQADDNSA-N 404.467 0.839 30 20 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CC[C@@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1843338361 IHXVPNJSQWJVKQ-QGZVFWFLSA-N 413.478 0.760 30 20 HCED Cn1cccc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)c1=O 1844299318 OIYVTSSPBRMYIA-RHLNUJDMSA-N 402.451 0.731 30 20 HCED CC#CC[C@@H](C(=O)N1CCCC12CN(C(=O)CC[C@H](N)C(N)=O)C2)c1ccccc1 1844335292 YMSABHGSATYMGP-MOPGFXCFSA-N 410.518 0.980 30 20 HCED C=CCn1nnnc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 52895471 UKEBJYOOVNIVLM-STQMWFEESA-N 401.514 0.146 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 56802552 AHFXKJOJADHIJJ-UHFFFAOYSA-N 413.434 0.782 30 20 HCED N/C(=N/Cc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCCN1CCOCC1 303869144 DQGOWVBZPISZHR-UHFFFAOYSA-N 409.556 0.598 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 409516924 JMCOZCCXOAWWPR-HUUCEWRRSA-N 420.491 0.710 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1=O 440283951 QIEPTJJPEBGISM-QGZVFWFLSA-N 415.494 0.738 30 20 HCED NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c[nH]1 462028113 VNWOPOOMAIHRQR-UHFFFAOYSA-N 423.454 0.825 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1 463665096 NQWIXNDZHXBNHD-UHFFFAOYSA-N 413.522 0.714 30 20 HCED N#C[C@@H]1N(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCC[C@]12CCCCO2 468665180 FXRGFSZPLSOIKZ-OAFZBRQQSA-N 409.508 0.476 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@H]2C)C1=O 468728123 JTZGOAIUCTULOM-BTYIYWSLSA-N 415.446 0.532 30 20 HCED Cc1nn(C)c(N2CCN([C@@H](C)C(=O)N3CCN(c4ccccn4)CC3)CC2)c1C#N 472162456 YKQGEWRWKVLJQK-SFHVURJKSA-N 422.537 0.855 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC(O)(CC#N)C1 476813673 AYSSDCKGCYNQND-CYBMUJFWSA-N 401.485 0.713 30 20 HCED CCC(CC)N(CCNS(=O)(=O)N(C)CCC#N)S(=O)(=O)N(C)CCC#N 481490733 JATGYALYMLZQKM-UHFFFAOYSA-N 422.577 0.247 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1 481812296 CSJJVSUVFJRZOI-UHFFFAOYSA-N 418.460 0.797 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CCN(CC(F)(F)F)CC2)C1=O 482348727 FZEYXDHEYMAXJG-UHFFFAOYSA-N 404.389 0.744 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](CN2CCOCC2)C1 482381084 PYYRQMWTRNTKIL-NVXWUHKLSA-N 406.508 0.406 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1F 489595269 HGEQNWLIBDEGDT-QGZVFWFLSA-N 418.450 0.579 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)n1 508332586 OFZZUMNYCWXYRA-UHFFFAOYSA-N 416.463 0.621 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](NC(=O)NC)C1 508471234 FLVILUNOOAILBD-CYBMUJFWSA-N 408.466 0.886 30 20 HCED CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)C(=O)NCC(=O)NCC#N 508954361 YYPHILCZFOHIQT-UHFFFAOYSA-N 415.450 0.406 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)C1)C(N)=O 508967960 JKMPTEVFDMVEEV-UHFFFAOYSA-N 415.450 0.124 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 518517357 SHTCWTSLWKPGIS-ZDUSSCGKSA-N 424.479 0.415 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccn3)c2=O)cn1 522390512 PJRCEXQJBYPUNH-UHFFFAOYSA-N 406.471 0.292 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 523129137 LYHRMQQOPSGHAT-ZIAGYGMSSA-N 409.464 0.623 30 20 HCED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2F)c(=O)n1CC(N)=O 527030692 MQUDURRPYPQDNT-ZDUSSCGKSA-N 415.446 0.033 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2C 527088335 GDYPGOALDXPZHE-UHFFFAOYSA-N 409.450 0.802 30 20 HCED C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 538119989 JXQDDEYUQRJIET-CQSZACIVSA-N 404.510 0.170 30 20 HCED C=CC[C@H](CO)CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 538220858 ACDWHFURRGQOBT-INIZCTEOSA-N 409.508 0.454 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 549257550 ZDGQLKWNVYDPAQ-OAHLLOKOSA-N 410.544 0.856 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)c1 563577453 AYSMTBCCBLJVFT-UHFFFAOYSA-N 407.452 0.176 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(ncn(CC)c3=O)C2)cc1 571712779 AZTLNLFUIKUTFW-UHFFFAOYSA-N 402.476 0.926 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)n1 572655381 ZOMURMKWQLOAHP-LBPRGKRZSA-N 417.495 1.014 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 576320761 KZEWLUKYDXHHNV-UHFFFAOYSA-N 410.434 0.842 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ncc(C)s2)C1=O 600107725 XUXGGZDRXNJQNL-SNVBAGLBSA-N 423.476 0.268 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)cn1 609817868 QIUZXEWJBREFGH-IBGZPJMESA-N 407.478 0.924 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 610797153 YGPKGOIHVWGCPU-WBVHZDCISA-N 406.508 0.548 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(=O)N(C)C)c2=O)cc1 618433698 RQODQGSMZQGWHB-UHFFFAOYSA-N 413.499 0.735 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@@H](O)C(F)(F)F)C1=O 679694779 WNXFNMFRGUYKCM-CYBMUJFWSA-N 413.352 0.915 30 20 HCED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CC(N)=O 679753484 SDVBHUAXUWDCDP-UHFFFAOYSA-N 417.437 0.936 30 20 HCED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 727010839 NUHDMNIOSSYNQS-HNNXBMFYSA-N 422.445 0.359 30 20 HCED CCn1c(S)nnc1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 731442724 KYAMQLCHDUVBNN-UHFFFAOYSA-N 422.536 0.764 30 20 HCED C#CCN1CCC(C(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)CC1 731860438 VIQFPRFYFUZXMT-UHFFFAOYSA-N 412.534 0.914 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)c1nc(-c3ccncc3)cs1)c(=O)n2C 734082056 WQIJLNWLLOMFGG-LBPRGKRZSA-N 421.442 0.829 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1 735923369 RPVRPBFHDAYARR-UHFFFAOYSA-N 413.471 0.289 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 741343379 LPHKKSJCVMWLIH-VLUKHXRESA-N 422.438 0.135 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 742065767 PJOJKWKNAQQTRM-UHFFFAOYSA-N 403.870 0.377 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccc(-n3cnnn3)c2)[C@H](C#N)C1 757899988 WVNWZWMSXNVTEG-CQSZACIVSA-N 419.467 0.796 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(F)cc(F)c2)c1=O 758078857 CSYCTPBAKXAHKA-LBPRGKRZSA-N 417.437 0.475 30 20 HCED CCS(=O)(=O)CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 761960748 JIVLCLDLKGHKCC-UHFFFAOYSA-N 403.464 0.850 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1cccc(C(N)=O)c1 764990096 NLUWVZGKINWFCR-ZDUSSCGKSA-N 400.460 0.983 30 20 HCED CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NN2CC(=O)NC2=O)cc1 770236867 NRCBCSKQFJLFMM-STZFKDTASA-N 422.467 0.868 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H]1O 774493914 SHWYZGQYOCMXEM-AWYIAAKZSA-N 422.507 0.667 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(Cl)c3ccccc3c2O)c(=O)n(C)c1=O 774585348 IZVKCEXPTBZKBE-UHFFFAOYSA-N 422.850 0.909 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C[C@H](C)O)CC1 779189858 HEZQNMPTFMFEAK-RDJZCZTQSA-N 422.551 0.665 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(SC(F)F)cc2)c(=O)n(C)c1=O 781596828 NRLHSXSPDMZYCA-UHFFFAOYSA-N 404.420 0.711 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1F 782761174 GTXWQYQLVFGQHT-UHFFFAOYSA-N 421.475 0.519 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCc2cccc(N3CCCC3=O)c2)nc1 788226086 SNEGUKJYVPABCN-UHFFFAOYSA-N 406.446 0.925 30 20 HCED CCOC(=O)c1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)on1 792926388 FUZKKHBVGQNKOE-UHFFFAOYSA-N 422.467 0.628 30 20 HCED CN(CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@@H]1CCN(S(C)(=O)=O)C1 793585360 BNKBAEXEZMVGCZ-QAPCUYQASA-N 405.480 0.248 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 796565453 ARFNDODSINSLKD-WMLDXEAASA-N 401.529 0.872 30 20 HCED CCCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(C)C1=O 801507859 PDVIQINZWKRVPX-GXTWGEPZSA-N 420.491 0.500 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2ccnn2CCCOC)c1=O 802723363 ISRMUFZZCNPDBO-OAHLLOKOSA-N 412.515 0.894 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)COC(=O)[C@](C)(C#N)CC)CC1 803783330 VPVOVOGLLOKGBA-PMACEKPBSA-N 420.466 0.623 30 20 HCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cc(C#N)ccn1 803845617 JXKGYNMIWSUFRT-LLVKDONJSA-N 400.416 0.735 30 20 HCED C#CCNc1nc(NCC2(C(N)=O)CCCC2)nc(NCC2(C(N)=O)CCCC2)n1 804461408 ZKLDQCGWPVCLEU-UHFFFAOYSA-N 414.514 0.832 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)[C@@H]1CCCO1 809307243 BLNWPKGXLQNVGQ-MSOLQXFVSA-N 401.438 0.797 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 810423395 VTQCXPBDWOMSEB-UHFFFAOYSA-N 411.418 0.331 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO2)CC1 812252490 XUDZXMMALXHLAI-MRXNPFEDSA-N 402.499 0.561 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 815861724 WMKPYQKYEIDEJM-UHFFFAOYSA-N 416.547 0.814 30 20 HCED CCCCCCNC(=O)[C@@H](C#N)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 916875650 GMJUPPYKRFVQEU-KGLIPLIRSA-N 410.496 0.557 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917134378 RRKHENVJXWTGSR-OAHLLOKOSA-N 403.508 0.761 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)N[C@@]3(C#N)CCSC3)n[nH]c2n1 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405.495 0.347 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1)C(F)(F)F 1839891823 AACXWXUNZIJGRH-QGZVFWFLSA-N 416.400 0.917 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1)C(F)(F)F 1839894867 VVDHAPLZNQTTIM-QGZVFWFLSA-N 416.400 0.766 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1840171191 UGQASDAKORPETJ-OAQYLSRUSA-N 404.463 0.976 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840481406 TXRMJCUXBHFIGX-FXAWDEMLSA-N 423.535 0.619 30 20 HCED Cc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1F 1840813043 AIWLSCNFWJJLGL-IBGZPJMESA-N 405.430 0.621 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815042 TZJJHXMWXSAZJM-OXJNMPFZSA-N 406.483 0.938 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)CN2CCSCC2)C1 1841040992 KFONJEQZGZBFRS-UHFFFAOYSA-N 405.564 0.937 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841139157 CNNKVYFVSSKKGL-ZDUSSCGKSA-N 421.498 0.508 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2ccco2)C1 1843077740 IKVDCQUDTUKOGW-UHFFFAOYSA-N 401.467 0.495 30 20 HCED CC(=O)N1CCN(CC(=O)N2CC3(CCCN3C(=O)c3ccc(C#N)cc3)C2)CC1 1844928443 DQHXITYVNRWCKH-UHFFFAOYSA-N 409.490 0.539 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)CC(N)=O)C2 1847069840 PDTUQYPKCMPRDH-HUUCEWRRSA-N 420.510 0.618 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)NC(=O)CO2 1847261926 IBILIUZKXJJJDD-JEZUCGJFSA-N 424.457 0.691 30 20 HCED Cc1cc(I)ccc1NC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11457514 IIECVDGXJUVKBE-UHFFFAOYSA-N 424.198 0.970 30 20 HCED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 19187663 ZXLYCVYWZQFTKB-UHFFFAOYSA-N 400.403 0.658 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 49623385 PWOFZNRYFCTVGF-OAHLLOKOSA-N 418.519 0.284 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cnn(CC#N)c2)c1 139631061 XLIRYKZCHWMUSD-UHFFFAOYSA-N 418.479 0.746 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)Cn2cc(Br)c(O)nc2=O)n1 426828538 WGJOAGAVHXVMJM-UHFFFAOYSA-N 416.195 0.802 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(Cn2cncn2)CC1 427508481 BLWALPPOJABRHM-UHFFFAOYSA-N 419.449 0.916 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)S(N)(=O)=O 442357123 YWQJHPXCFQLSNB-QMMMGPOBSA-N 408.358 0.231 30 20 HCED C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1CO 442885349 WLGOOIGKAAKSAJ-DOTOQJQBSA-N 406.508 0.094 30 20 HCED C[S@](=O)C1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 442922798 LWEVFCSWVJMZRW-SANMLTNESA-N 409.533 0.986 30 20 HCED CCOC(=O)c1ccsc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446526239 HHAVITLCAJHQFK-UHFFFAOYSA-N 408.480 0.938 30 20 HCED COCCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC)[C@@H]1CCS(=O)(=O)C1 446563976 IKAUBDOHXYJYFI-CQSZACIVSA-N 409.464 0.558 30 20 HCED C=C[C@H](CO)NC(=O)NCCCNS(=O)(=O)c1ccccc1Br 461011964 AKLWQUYFSVJJLF-LLVKDONJSA-N 406.302 0.964 30 20 HCED COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(OC)c(O)c1 473170811 YNIXGIPVADYUMD-OXQOHEQNSA-N 418.494 0.897 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c(Br)c1 480699570 GJZLPFKGASLFDT-UHFFFAOYSA-N 421.295 0.824 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c(C#N)cn1CCOC 481436979 CUYQXPOPCQGYDV-CYBMUJFWSA-N 421.454 0.240 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)CS(=O)(=O)CC 481890225 IFEHDTHXOGVYNF-KBPBESRZSA-N 415.537 0.897 30 20 HCED CO[C@H]1CCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 483727598 PCUXNWNHIMQSOO-MSOLQXFVSA-N 420.535 0.938 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 484566356 DTVTUCMIQRSIKZ-UHFFFAOYSA-N 416.484 0.433 30 20 HCED COC(=O)CC1(CS(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 486613535 ZUPKVSCZTZCLHG-MRXNPFEDSA-N 405.476 0.922 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)cn1 487171319 KLZSXBULUAMTGH-ZWKOTPCHSA-N 421.461 0.497 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488609653 IVPCRIBZYPTBFS-HNNXBMFYSA-N 407.434 0.270 30 20 HCED N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3cccc(-n4cnnn4)c3)n2)cc1 490348059 SSCXSZBOKBOLMT-UHFFFAOYSA-N 407.419 0.975 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc3c(s2)CSCC3)CC1 498998006 COUVXIFBVMXSIB-UHFFFAOYSA-N 409.537 0.317 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)nc1 502692471 OITINGNSXKDDRG-UHFFFAOYSA-N 406.402 0.571 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 504195606 QVGFFCYNDCWPLR-CFRSGVNKSA-N 422.441 0.332 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)n1 507661308 RSPIYJRCWNGAIX-TZMCWYRMSA-N 410.500 0.498 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)n1 508367257 XOSAUGAVTMRASS-UHFFFAOYSA-N 400.292 0.985 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)n(-c2ccccn2)n1 508378382 NUTQKWKYQUMSKM-UHFFFAOYSA-N 407.438 0.783 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)C3CC3)C1)CC2 508433638 LRHJAPSBDCQPPA-OAHLLOKOSA-N 402.476 0.520 30 20 HCED C=CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 508929434 AKNRUJWRQWDBCI-UHFFFAOYSA-N 420.495 0.934 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)Cc3c(F)cccc3C#N)CC2)CC1 510288309 PDEZDRPWMINRIS-UHFFFAOYSA-N 415.513 0.937 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 518206419 IUZDPBWLTAIWRL-UHFFFAOYSA-N 422.445 0.609 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 531708606 SYCIADAYGRRVBI-ZBFHGGJFSA-N 404.492 0.838 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)CNc3ccc(C#N)cn3)C2)cc1 538606653 BCJQGVFVPHBIBZ-UHFFFAOYSA-N 401.448 0.563 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 539658132 PKDMRYOGCKHVNZ-UHFFFAOYSA-N 401.533 0.125 30 20 HCED Cc1[nH]nc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 541781930 DYZCJVVETBQUBS-UHFFFAOYSA-N 411.465 0.412 30 20 HCED C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543919461 JMNDEEIVKPDUNO-CQSZACIVSA-N 413.457 0.574 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)c(C(F)(F)F)c1 547894751 ILJAPUNXSHCETG-JTQLQIEISA-N 405.354 0.788 30 20 HCED C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCCOC)CC1 549273568 FIGNMQIDCDVDQV-UHFFFAOYSA-N 413.526 0.725 30 20 HCED C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 549665202 FFSDADAXNYVQGG-OAHLLOKOSA-N 420.514 0.505 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1CCN(c2ccccc2)C1 559914085 GZCPCOWXACYBFT-OAHLLOKOSA-N 409.494 0.897 30 20 HCED N#Cc1ccc(OC2CCN(C(=O)C(=O)NCC3(N4CCOCC4)CC3)CC2)cc1 562012332 OTFBGLNBNHWIDU-UHFFFAOYSA-N 412.490 0.909 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CC)CS(=O)(=O)c2ccccc2)C1=O 572520800 OBHONYBRBBZLHY-RDJZCZTQSA-N 421.519 0.600 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3C[C@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)C2=O)cc1 577414951 JJUHIVRXVSGOPY-RHQZKXFESA-N 408.458 0.411 30 20 HCED N#Cc1ncn(CCNC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)n1 581147817 KRSNAERSIWIGRX-UHFFFAOYSA-N 400.420 0.651 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 582024572 FCMJQDNWQFUWGV-FHWLQOOXSA-N 410.474 0.873 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CCN(C)CC1 586851114 PJENDGGORNXSKU-CQSZACIVSA-N 414.510 0.919 30 20 HCED Cc1cc(N(C)CCN2CCOCC2)c(C#N)c(N(C)CCN2CCOCC2)n1 589112768 AOLQPLPGAVAVLH-UHFFFAOYSA-N 402.543 0.799 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 590983173 HRMFLOAKYNTJCD-UHFFFAOYSA-N 403.847 0.611 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 603520904 AGTFPPGZFXYKHA-UHFFFAOYSA-N 424.461 0.371 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1 605242757 XTAWQSLHQLQOOV-UHFFFAOYSA-N 424.523 0.273 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 609109932 VPHAPVGKASCGLF-LJQANCHMSA-N 409.490 0.820 30 20 HCED C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 609817576 YLJQYECVKCCESK-OAHLLOKOSA-N 422.507 0.483 30 20 HCED COC(=O)CN(CC#N)C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 609992512 IEPQRANGOVXUJQ-SECBINFHSA-N 408.208 0.959 30 20 HCED COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccn1 610255940 RSSFZJCZURQBFI-INIZCTEOSA-N 402.432 0.918 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 726585697 KFMAFZKWVPTFCI-KRWDZBQOSA-N 419.507 0.541 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CCOC 731494738 GINLTZCUOCGTDE-UHFFFAOYSA-N 401.463 0.809 30 20 HCED NC(=O)CNC(=S)NN=C1CCS(=O)(=O)c2ccc(Br)cc21 731928940 YAFQAKOAOCCELG-UHFFFAOYSA-N 405.299 0.280 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734569520 JXVNKUTWUDHMRI-KRWDZBQOSA-N 417.443 0.866 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C)nn2C(C)(C)C)C1=O 744919381 VROSCSVRMNLHML-UHFFFAOYSA-N 405.411 0.405 30 20 HCED C[C@H](CC(=O)OCC(=O)NC1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 745496700 OPWRQOYSAVWLAQ-GFCCVEGCSA-N 409.464 0.342 30 20 HCED CC(=NNC(=S)NCC(F)(F)F)c1ccc(S(=O)(=O)NCC(=O)O)cc1 746497002 RJWDUMJYUYGJLU-UHFFFAOYSA-N 412.415 0.800 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc21 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TYDCJSOJZZTYDE-UHFFFAOYSA-N 408.462 0.811 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cncs2)c1=O 767879621 INHWYNHOAQDJPX-UHFFFAOYSA-N 404.517 0.575 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCn2ncc(C(=O)OCC)c2N)c1 768777833 KWKSJZYKYZDTII-UHFFFAOYSA-N 420.447 0.411 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 770736821 SZPVAYMRKDTFMT-CQSZACIVSA-N 404.417 0.211 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(=O)O)CC1 776643094 CBBWKNBKXOOVNW-AWEZNQCLSA-N 423.491 0.722 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-c2n[nH]c(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 783480849 MKXUYWXDTKHLKN-OAHLLOKOSA-N 401.448 0.368 30 20 HCED C[C@@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)Nc1cccc(C#N)c1 785649446 AOEPIUCRHWRYBU-NVXWUHKLSA-N 414.462 0.609 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)NC1(C#N)CCC1 787580232 SYJPTZOJWSIWAU-CQSZACIVSA-N 421.475 0.815 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cc[nH]n1 787593481 QINSJYJIYDIXDS-UHFFFAOYSA-N 419.398 0.662 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CCCO1 787873939 HNSPOSSIUGWMMO-JVPBZIDWSA-N 413.474 0.818 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(CC)CC2)c1 794519081 ZLDCHNOGZNKIJF-HNNXBMFYSA-N 409.508 0.860 30 20 HCED COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N(C)C[C@@H](C)C#N 796243993 ZKHFGVCHVKGDMJ-UONOGXRCSA-N 418.516 0.807 30 20 HCED C[C@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N[C@@H]1CCS(=O)(=O)C1 798799543 MYJLUXHIMAUPLD-GXTWGEPZSA-N 402.432 0.593 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)c(F)c1 802552097 NHOLNRYWNGJEJZ-ZDUSSCGKSA-N 406.433 0.944 30 20 HCED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)C1 804750111 IEPHXSNNRQVJRX-UHFFFAOYSA-N 413.478 0.942 30 20 HCED Cc1c(I)cn(CC(=O)N2CCO[C@H](C)C2)c(=O)c1C#N 809967162 CJXOACVWUCHMRX-SECBINFHSA-N 401.204 0.880 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOC)CC1 812170556 BSXHCACCUSMLEE-UHFFFAOYSA-N 411.466 0.538 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1cc[nH]n1 813860338 QBLZFULKQIQJAF-SOUVJXGZSA-N 405.455 0.457 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1 815860698 XBOSDFFIXIOFIQ-OAHLLOKOSA-N 408.524 0.773 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc(-n4cnnn4)c3)CC2)o1 914684657 NDKSMFRBPQAIND-UHFFFAOYSA-N 422.405 0.336 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 915055650 IEWOSISDXYSEEE-UHFFFAOYSA-N 412.471 0.787 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 916867820 GVZDUIAWOPNQLV-AWEZNQCLSA-N 411.480 0.811 30 20 HCED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918242773 DQXCJPTXCLGEHM-DRYIHEDISA-N 423.495 0.079 30 20 HCED Cc1nc(C#N)c(N2CCC(c3nc(CCN(C)S(=O)(=O)N(C)C)no3)CC2)o1 1117599604 RJUBCKKJAPCAGD-UHFFFAOYSA-N 423.499 0.902 30 20 HCED CC1CCN(c2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cn2)CC1 1220899796 RENFUFBLHCQNFH-UHFFFAOYSA-N 411.466 0.951 30 20 HCED 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N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1771537693 SZRZMAARBFRVSM-MRXNPFEDSA-N 404.434 0.535 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2)C1 1778967858 JKACBZGNOGQWQH-GSHUGGBRSA-N 423.554 0.940 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)n(C)n1 1779100400 CANQWCIEIBDDDW-XCKVFWMBSA-N 419.482 0.701 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1779106991 QORGAGDLVBGJJZ-YSIZZLJWSA-N 423.510 0.896 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3sccn23)C1 1779986764 LMVNXTYHWKOAHB-AUUYWEPGSA-N 415.475 0.797 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780173636 ZZBKSUQZJKFARB-YRISNDGFSA-N 415.494 0.929 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1Cl 1780188469 YCFDLHZEBGZBJS-IFXJQAMLSA-N 418.837 0.764 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CSc4nc[nH]n4)CCO3)C2)c1 1780598547 RVZFITIYLGRWOX-LJQANCHMSA-N 412.475 0.912 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnn1C)C2 1780802802 WUOMLIGEYTVTBC-SPYBWZPUSA-N 406.487 0.744 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1781270980 RECRKQLYGGJFFW-NRFANRHFSA-N 417.462 0.547 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1783197768 RYSSLJVSEUBRFK-RHSMWYFYSA-N 403.426 0.179 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783527840 HGDONCUYWBVHFF-SIFCLUCFSA-N 409.483 0.114 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CCC(=O)NC3)[C@H]2C1 1783631731 VSNLFOXZJKPNOT-NRKLIOEPSA-N 408.499 0.293 30 20 HCED CS(=O)(=O)c1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CC#N)C[C@@H]32)c1 1783746453 IAZBMWQRKJUMLT-XIRDDKMYSA-N 405.476 0.597 30 20 HCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783893984 ROZOMVIFBLGTPT-CQJDLURNSA-N 407.492 0.600 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CSCC(=O)O)C2)C1 1783954102 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C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2c1CCC2 1799963678 OMWJMJYXSLYGFU-CCWDJLKJSA-N 416.478 0.542 30 20 HCED N#Cc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CNC(=O)C2)c(Cl)c1 1800526682 ZJBFLHOPJCBMJW-ZUMXRPEOSA-N 416.865 0.551 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2c[nH]c(=O)cn2)C3)c1 1801767441 WDNAYIXZISWNOF-NYYTWLDWSA-N 421.457 0.914 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@H]2c2cccnc2)c1 1803648962 PKBSJAXGZIRNAY-HYVNUMGLSA-N 408.418 0.709 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1807679746 IBDWVANVGMKMSU-RFZNHBKKSA-N 402.495 0.401 30 20 HCED C[C@H](NC(=O)c1cnccn1)C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC#N)[nH]n1 1819514012 ZEMHLVIPXSYKFS-SWLSCSKDSA-N 410.438 0.924 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612214 PNRNJMBMRYVBTQ-MPXAEWJHSA-N 408.524 0.351 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)COc3cccnn3)sc2C1 1826765551 ZVQLUZXBTHTDKU-JTQLQIEISA-N 401.404 0.012 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1829849725 YINRVUZCTLBGML-FRQCXROJSA-N 415.556 0.312 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)C4CC4)CCO3)C2)cc1 1830603060 QYUOTUJRBVSNCO-QFIPXVFZSA-N 411.458 0.802 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831426157 JTZUFRVVBHODMH-RZBRSOPZSA-N 422.526 0.506 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1831438399 QDLBEMKOEACYJA-NTLWEQJWSA-N 410.511 0.585 30 20 HCED CN(C)C(=O)NCC(=O)NC1CCN(C2CCN(C(=O)C(C)(C)C#N)CC2)CC1 1833142517 UQHYBNOKVSPTIZ-UHFFFAOYSA-N 406.531 0.379 30 20 HCED C[C@H](Cn1cccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1833191797 VDSLOFFFKJIHOL-OXQOHEQNSA-N 403.483 0.525 30 20 HCED C=C1CC(C(=O)N2CCC(N3CCC(NC(=O)CS(=O)(=O)CC)CC3)CC2)C1 1833450786 GAOAPRPXWWBVIT-UHFFFAOYSA-N 411.568 0.959 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3csnn3)CC2)CC1 1833556568 YVJWCQYNVPMIIJ-CQSZACIVSA-N 405.524 0.762 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 1834007590 QGVARNACACFBNS-OXJNMPFZSA-N 404.467 0.953 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)nn1C 1834121173 BCCKVWCUYMEMPP-JOCHJYFZSA-N 423.473 0.984 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834604466 UWRPUKZJMVVRHN-FYWRMAATSA-N 401.511 0.902 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC(C)=O)CCO2)C1 1834871395 BEHHXHAQLPYGTM-HXUWFJFHSA-N 410.467 0.321 30 20 HCED COc1ncc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)cc1F 1835341370 ZEYGFOHGXJMEJM-FQEVSTJZSA-N 418.425 0.603 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCSC(=N)N)CCO2 1835656968 ZMPDBCJNMTTYHE-LJQANCHMSA-N 410.540 0.653 30 20 HCED CCC1(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)COC1 1835682439 JCECARISJKETFI-NRFANRHFSA-N 422.526 0.151 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccn3cncc3c1)CCO2 1837073747 PFVBDKRWRASZSH-JOCHJYFZSA-N 408.458 0.818 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5cncn5c4)CCO3)C2)CC1 1837121100 FKXISXLRXQLLFI-OAQYLSRUSA-N 409.446 0.708 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(CC)on3)CCO2)C1 1838126518 RVNALURYMDCRHY-LAUBAEHRSA-N 421.494 0.880 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n(C(F)F)n1 1838715710 CCESWNSDTNOQPM-SJKOYZFVSA-N 418.466 0.975 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCCS3(=O)=O)CC2)CC1 1838739966 DBHRGTWMKWIZNQ-BBRMVZONSA-N 418.581 0.881 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)n1cncn1 1838908659 LUGUPGPAMCIPOO-IERDGZPVSA-N 424.461 0.481 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)ccc1O 1838975378 JESKXXDRTKAGIY-BFUOFWGJSA-N 410.492 0.789 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839214946 OCLUSXWGIXWOSF-NPPFBWRTSA-N 419.522 0.832 30 20 HCED Cc1ccc([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839948564 ZXXBISRBWFXXSZ-VGSWGCGISA-N 414.458 0.643 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415909 UDDMMNCZVVSSEP-MPGHIAIKSA-N 411.528 0.250 30 20 HCED CC(=O)N(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812136 AURBJQGQNZXGQV-HXUWFJFHSA-N 406.483 0.005 30 20 HCED Cn1ncc(I)c1C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842622219 NTKWRCOEXFJULD-UHFFFAOYSA-N 413.219 0.755 30 20 HCED O=C(/C=C\C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)NC1CC1 1844177648 UKBGXWSWXFOETA-IFALLWIVSA-N 404.467 0.554 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1844237428 QTLXOIPTBIMQLR-GOEBONIOSA-N 415.494 0.371 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1845232088 YAEQINQDDKMGPF-QWHCGFSZSA-N 401.529 0.784 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(O)nn2)C1 1845754675 POESKSJMTIOVSS-UHFFFAOYSA-N 400.483 0.600 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)NCCC)CC2)c1 31932629 MRJUWLIDXDQRJI-UHFFFAOYSA-N 422.551 0.871 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 56802125 KUJNUZWNBKNOQC-UHFFFAOYSA-N 415.450 0.492 30 20 HCED N/C(CN1CCOCC1)=N\OCC(=O)Nc1ccc(I)cc1 97570222 DAKLXPLUILGZLY-UHFFFAOYSA-N 418.235 0.851 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 410405077 CKKDXETZHLNYCJ-CYBMUJFWSA-N 409.430 0.951 30 20 HCED N#Cc1ccc(O[C@H]2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)C2)nc1 428780416 BVKNZUCAVHNYGZ-HNNXBMFYSA-N 401.448 0.692 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCO[C@@H](C#N)C3)CC2)cc1 436137276 YCGVXQOQHJAOTF-IRXDYDNUSA-N 406.508 0.441 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 438758574 WMQDQRPLZPNZLE-UHFFFAOYSA-N 409.512 0.569 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC(=O)Nc3cccc(F)c3)n2)cc1 438872283 DHEMTLFUCSFYEX-UHFFFAOYSA-N 421.392 1.031 30 20 HCED Cc1nsc(N2CCN(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)c1C#N 460324795 GVCREMMEPVRGES-OAHLLOKOSA-N 414.495 0.694 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H](CCO)C2CCOCC2)n1 461784248 GURBUKKZCPGATB-INIZCTEOSA-N 415.425 1.115 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1 466636812 FHHSMWDGYFUIEW-MRXNPFEDSA-N 408.480 0.279 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)cs1 467919493 LBFDJIMKAUQJTI-UHFFFAOYSA-N 409.497 1.100 30 20 HCED COC(=O)C1(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCOCC1 472166657 ZRGAEYWVKMJMHC-UHFFFAOYSA-N 404.471 0.402 30 20 HCED C[C@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CCO2 472926186 VFIDJKOUUIHFPR-VLIAUNLRSA-N 410.434 0.543 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 473820789 KDHDSSKXLRWRLM-UHFFFAOYSA-N 422.507 0.187 30 20 HCED Cn1cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 478248261 BENQONKVQKQMTP-FQEVSTJZSA-N 408.506 0.981 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 479885268 JPCBHHGUGPFFOX-HNNXBMFYSA-N 422.507 0.478 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H](C)C(=O)N2CCOCC2)c(C#N)cn1CCOC 481381454 WYAMYDWSUBNCMD-CYBMUJFWSA-N 421.454 0.552 30 20 HCED COCCCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481507175 FLQXKQMQWHKUMV-HNNXBMFYSA-N 408.524 0.842 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 490079902 MFOKTDZZBMXWSK-OAHLLOKOSA-N 400.435 0.603 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)CCN2C(=O)CSc3ccccc32)CC1 492416645 FQCFPWRYSLCSKX-UHFFFAOYSA-N 402.520 0.962 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1Br 499946533 QTJSFJGPTOKMOM-NSHDSACASA-N 415.269 0.539 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(C)C 505696255 ZWFACJTULDCMGM-UHFFFAOYSA-N 417.535 0.264 30 20 HCED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(N2CCCCC2)n1C[C@@H]1CCCO1 506927342 PJALYFBOQUYHSH-GJZGRUSLSA-N 411.528 0.912 30 20 HCED CN1CCN(C(=O)CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508051288 DQUSRXJAWIRHNG-GOSISDBHSA-N 412.494 0.517 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508794492 KUYCEWYIKMQSSI-SJORKVTESA-N 404.515 0.685 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 511119820 AWWBFKVUSJOSQN-QZTJIDSGSA-N 413.588 0.282 30 20 HCED COCCN1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1=O 511365062 VQZXCAGHVNFDGD-UHFFFAOYSA-N 424.461 0.617 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1C 511785398 NRCADCFUSAEIIM-UHFFFAOYSA-N 416.507 0.223 30 20 HCED COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2sccc2C#N)cc1 511924375 LMVCKADAXBCMRE-UHFFFAOYSA-N 422.488 0.799 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 523914989 VDIXHKOSGAFSHJ-GOSISDBHSA-N 413.526 0.728 30 20 HCED Cc1oc(NC(=O)CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c(C#N)c1C 532551312 SXEYPXLCHAWTSR-HNNXBMFYSA-N 403.483 0.572 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)CN(C)CCCc2[nH]nc(N)c2C#N)ccc1C 534097784 DVBZMFFSCPNKJX-UHFFFAOYSA-N 419.511 0.583 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCC1(N2CCOCC2)CCCCC1 536342509 VMRRMXPDWLAUDB-UHFFFAOYSA-N 417.558 0.879 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 540454163 CZWYQLWUKCGWNP-UHFFFAOYSA-N 408.459 0.762 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543940560 ZLKRXDLFUKWYPQ-UHFFFAOYSA-N 424.870 0.391 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cn1 545180698 ZOTZQLWVQSSZIR-ROUUACIJSA-N 423.477 0.837 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 546607106 MTKYGERNKOUZRA-UHFFFAOYSA-N 400.424 0.098 30 20 HCED N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 548249317 RWQDNOBCPRCYKS-UHFFFAOYSA-N 409.445 0.481 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 550906658 XKIKWZIRESMAOF-PKOBYXMFSA-N 401.511 0.547 30 20 HCED CC[C@H]1CN(CC#CCN2C[C@H](C)S(=O)(=O)[C@H](CC)C2)C[C@H](C)S1(=O)=O 553925480 QXRJPNGDIBAFFK-XLAORIBOSA-N 404.598 0.785 30 20 HCED CC(C)CN1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCN2C1=O 564531522 TYQYCPKZVUCBOE-MRXNPFEDSA-N 419.507 0.441 30 20 HCED N#Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 568405670 IVYUMSOKLKSMSU-UHFFFAOYSA-N 414.447 0.532 30 20 HCED CCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1=O 609497893 SFCLCDRBJJCTAI-UHFFFAOYSA-N 401.448 0.282 30 20 HCED N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)cn2)cc1 610748297 XAGHXCXZRBUKLV-HZPDHXFCSA-N 409.402 0.833 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1F 615628648 BWJIBFNVDKNRGZ-JEOXALJRSA-N 422.388 0.910 30 20 HCED Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC1CCN(CC#N)CC1 619645162 JMUZBEMHXYTAKY-GOSISDBHSA-N 413.478 0.647 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727814107 JSGQIOPCZCNFLI-UHFFFAOYSA-N 420.498 0.086 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1ccc(=O)n(C)c1=O 731075265 YAVBPQBCIVFDHO-ZDUSSCGKSA-N 416.459 0.981 30 20 HCED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 733162813 WQRDUHNTUYLNCN-UHFFFAOYSA-N 406.327 0.566 30 20 HCED C=CCn1nnn(CN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)c1=S 734475859 GLHVCQVDTVOGDQ-UHFFFAOYSA-N 422.536 0.814 30 20 HCED CC[C@H](COC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 739124842 WVUSQBGPWDAZKR-QIAIEURZSA-N 410.496 0.979 30 20 HCED CN(CC(=O)[C@H](C#N)C(=O)Nc1ccccn1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 739156299 NCDBIISIECOUAX-AWEZNQCLSA-N 417.403 0.958 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 748470158 JWNJJWBQEDIODT-UHFFFAOYSA-N 416.453 0.589 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(Br)c(Cl)c2)c(=O)n1CC(N)=O 755048694 PDPDQAPINFCPTR-UHFFFAOYSA-N 423.679 0.838 30 20 HCED CC(=O)N1CC[C@@H](CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 755216829 YCIHZYXZIUKSHX-HNNXBMFYSA-N 406.508 0.832 30 20 HCED COc1ccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(OC)n1 755535224 HCZFVOBGSLAIIV-AAEUAGOBSA-N 419.438 0.913 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2c(C)cc(C)cc2C)c1=O 758076007 CUWSATSPBMUBBE-UHFFFAOYSA-N 421.522 0.830 30 20 HCED C#CCCCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 758631419 DSUZLDOBOMOCEM-INIZCTEOSA-N 400.522 0.688 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 761070556 BUBIGZXLQZSEFY-DGCLKSJQSA-N 403.443 0.356 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)cn1 763426821 NKUVKIFLZRIIIH-FUHWJXTLSA-N 420.429 0.678 30 20 HCED C=C(C)COc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC 771898558 ZRQNIJBTOKOQSR-UHFFFAOYSA-N 422.463 0.360 30 20 HCED C#C[C@H](NCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@H]1CCCO1 775789003 AIJQAMLEUFGVRS-QKLQHJQFSA-N 413.474 0.268 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 776116199 KYMGDIQPKPLPHU-UHFFFAOYSA-N 406.511 0.116 30 20 HCED Cn1cc([C@@H](CO)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 778402368 HQBZTEQIOPPNNU-MRXNPFEDSA-N 419.507 0.869 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)C1=O 779581383 LIRPPWYYPHQZGG-NSHDSACASA-N 421.410 0.855 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(Br)nc1 782905305 MOKPVMQAXIXPMR-UHFFFAOYSA-N 410.272 0.857 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O 783537205 XHRYVXGPZQWWEQ-UHFFFAOYSA-N 414.281 0.876 30 20 HCED CNC(=O)[C@@H](Cc1ccccc1)OC(=O)CNS(=O)(=O)c1ccccc1C#N 785140515 VVHICRKHRGOCJQ-MRXNPFEDSA-N 401.444 0.737 30 20 HCED C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 788343369 IVMNAHKIBNNHMA-NIVANCOJSA-N 408.480 0.420 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(O)nc1=O 790839988 UQKMOTOKFNIUKC-UHFFFAOYSA-N 413.209 0.239 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(-n2cnnc2O)c1C)c1cc[nH]n1 793629282 CDWDHNMHQSLTFT-UHFFFAOYSA-N 413.394 0.927 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 800160061 KJKMUCADHOHEQN-UHFFFAOYSA-N 407.496 0.958 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800779651 SSLSLQNVOLYVKP-UHFFFAOYSA-N 408.532 0.573 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)c(F)c1 804055845 IMYSQHBWPVZBBX-SJORKVTESA-N 415.469 0.325 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c1 807379147 OCPBVPXLXCNGNO-AWEZNQCLSA-N 400.357 0.907 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)ccc1F 807983969 DUQRRHZNWQGXIR-UHFFFAOYSA-N 422.486 0.851 30 20 HCED C#CC[C@@]1(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 808593868 BJINLQWXCSQCCX-XOBRGWDASA-N 409.483 0.916 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1ccc2nn[nH]c2c1 821589127 YLYVDQIKNBIFGQ-UHFFFAOYSA-N 400.420 0.985 30 20 HCED C#CCC1(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1061635519 SSPYRYGPIMHPKW-WXJALIKYSA-N 402.491 0.574 30 20 HCED C=CCCOCC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1065707299 RSOIQDQPLMFYOC-SIFVSHMBSA-N 403.523 0.748 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 1116284796 ZXGIAVRJVUDADN-UHFFFAOYSA-N 403.464 0.446 30 20 HCED C[C@H]1CN(c2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)C[C@@H](C)O1 1122415314 RLEJMAHXCIOGMA-LZWOXQAQSA-N 420.491 0.275 30 20 HCED C=CCOCCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1130223453 UWZSHHLYOIDLLF-RZDRJOIRSA-N 417.510 0.509 30 20 HCED N#Cc1cn(CCNC(=O)NCc2cc(Cl)c3c(c2)OCCO3)c(=O)nc1O 1221497306 SWDMRCXPNMEGAY-UHFFFAOYSA-N 405.798 0.745 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(Br)c(C#N)cc1F)C2 1307094976 TWNUWGKFOOQHMF-UHFFFAOYSA-N 423.246 0.926 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)no1 1318952017 WBFPQWVMDNGWHF-UHFFFAOYSA-N 403.464 0.994 30 20 HCED COCCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1322503181 HUAMWFIMQMAQJP-WMZOPIPTSA-N 419.503 0.963 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 1441269910 PNLJPZCLQYHLOX-ZIAGYGMSSA-N 410.471 0.809 30 20 HCED COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCOCC1 1471237197 JYPWMWGMZRYYDJ-UHFFFAOYSA-N 422.507 0.388 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507864605 YQDQGHIBPMGNSU-AWEZNQCLSA-N 423.905 0.556 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1593809372 YZLAOUTUTHFBKX-CYBMUJFWSA-N 418.951 0.945 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCO[C@H]3c3ccc(O)nc3)CC2)o1 1659741592 NBBAXFHNFNXXPG-BEFAXECRSA-N 412.450 0.724 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C[C@@H]2C1 1664590840 LALNXLSTSCTPPQ-ILXRZTDVSA-N 400.501 0.644 30 20 HCED C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@H]1C 1740747514 MIADYAYPHBQPSW-GFCCVEGCSA-N 411.304 0.976 30 20 HCED CC(C)NC(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741688444 RJPVIJAGIIZLGC-INIZCTEOSA-N 409.498 0.826 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)n1 1742713136 LLYPAVFSOBHSMU-ZWKOTPCHSA-N 414.514 0.589 30 20 HCED Cn1ncc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)n1 1748067432 VSOGOGWWDHTAFS-GOSISDBHSA-N 401.450 0.717 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760933108 BPOKJNJUJXJVFW-WBVHZDCISA-N 421.571 0.860 30 20 HCED Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(=O)NCC(F)F)cn1 1769006723 AZSJBNJCXOKNGL-AWEZNQCLSA-N 419.440 0.236 30 20 HCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c(C#N)c1 1778132125 CFESMAKZGBGWTB-TVTNDZMWSA-N 413.474 0.710 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778153410 MAUJVRLCFRQFJO-FQEVSTJZSA-N 409.483 0.641 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779021838 XVBPISDCADLDTE-CCULFSDZSA-N 402.499 0.493 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](COC)NC(C)=O)C2)C1 1779319932 RDRQMTSRTYBNNT-RHSMWYFYSA-N 403.426 0.179 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1779444909 VUNAIABLYGHVJL-BPCKEBRHSA-N 416.478 0.349 30 20 HCED CCOc1ncc(Cl)cc1C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1779686724 CILGVMLQCSDQJA-IBGZPJMESA-N 421.837 0.665 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ncccc3C(F)(F)F)C2)C1 1779716565 APPMCYHJCSTPGC-QGZVFWFLSA-N 411.336 0.632 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4[nH]cnc(=O)c4c3C)C2)C1 1780020729 DDACPYGCSJTWIC-SZNDQCEHSA-N 413.478 0.987 30 20 HCED 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0.237 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21 1783685722 UNKREUAUZGSCIY-AVGNSLFASA-N 424.548 0.376 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nsnc3NC)C[C@@H]21 1784474547 OCEUFIIPHHTWRO-RFGFWPKPSA-N 407.496 0.211 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(OC)n(C)n3)C[C@@H]21 1784504082 KRCWNUWAYKAZHD-AESZEHBQSA-N 406.483 0.613 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccccc3=O)C[C@@H]21 1784533166 KHHLRVATBPSAKL-FPXQBCRKSA-N 407.536 0.782 30 20 HCED Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)n1 1785370023 OSSORMDGIDMGHN-BZSNNMDCSA-N 416.526 0.453 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3nnc(C)o3)[C@H]2C1 1787027445 KVPRUEULXXDNTQ-ULQDDVLXSA-N 406.483 0.883 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)NC(=O)OCC)[C@H]2C1 1788476082 UFIRMLUBTPYMJJ-FPXQBCRKSA-N 409.483 0.224 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 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427469250 KYRRATJKNHQVEZ-OALUTQOASA-N 419.547 0.794 30 20 HCED C[C@@H](C#N)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 429653068 OEHXHSDRGZHUFN-ONGXEEELSA-N 406.386 0.646 30 20 HCED C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)CCCN1C(=O)CNC1=O 438761072 ZOYQURNJDSZACR-UHFFFAOYSA-N 403.464 0.771 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)nn1CCC#N 440105185 LOIZLBNZDGGXCB-RDJZCZTQSA-N 408.462 1.350 30 20 HCED C=CCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)OC)[C@H]1CCS(=O)(=O)C1 440296585 OYEKGXXJICDJSW-ROUUACIJSA-N 406.504 0.788 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1 440947665 ZKNBRGUNCFIMNK-CVEARBPZSA-N 422.507 0.592 30 20 HCED N#Cc1ccnc(NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1[N+](=O)[O-] 445676835 SEAOQQJXUKTSFR-UHFFFAOYSA-N 408.362 1.134 30 20 HCED N#Cc1ccc(OC2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)C2)cc1 461743588 ZBNVWEHBVMZRCJ-HXUWFJFHSA-N 412.490 0.861 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1=O 462090658 FRQHHQFRFJCKPD-AWEZNQCLSA-N 411.422 0.733 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 464217773 ZNEDQFDFEUPFBY-ZDUSSCGKSA-N 413.463 0.904 30 20 HCED C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 465351969 ASYDYVJGGUXIEF-MRXNPFEDSA-N 422.489 0.997 30 20 HCED CN(C)CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CCS(=O)(=O)C1 467426589 GBHMOHGPGBGWQB-QGZVFWFLSA-N 401.492 0.935 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C3CCN(c4cccnn4)CC3)CC2)o1 468138407 NHHUEHDWVMIHHE-UHFFFAOYSA-N 424.509 0.894 30 20 HCED CCSc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 471977810 IPUGDTDRCURBGD-UHFFFAOYSA-N 415.540 0.921 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 475546701 FBJGOMCZHJHUJE-UHFFFAOYSA-N 423.477 0.968 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCSC 479366163 PGAHGGRYTYIMCH-UHFFFAOYSA-N 418.544 0.706 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 484395152 UCUNBAZFWRXKKC-INIZCTEOSA-N 403.870 0.915 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc(C(N)=O)c(F)c3)C2=O)cc1 488630695 OCLLBNCLNXUXQY-KRWDZBQOSA-N 423.404 0.652 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(-c3cccnc3)c2)c(=O)n1C 489694297 ALRXAEQBILOSSZ-UHFFFAOYSA-N 420.494 0.774 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(OC(F)F)c2)CC1 491171884 NXAPPDSMXWHTMH-UHFFFAOYSA-N 410.421 0.981 30 20 HCED CC[C@@H](C)[C@@H](NC(=O)CNc1cccc(C#N)c1)C(=O)NCCN1CCOCC1 494999787 VNDPOTQNKUABCU-OXQOHEQNSA-N 401.511 0.949 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccon2)c(Cl)c1 503506840 QYZNUWGFXVIZAC-UHFFFAOYSA-N 404.857 0.598 30 20 HCED Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 503560503 AABHRLLOQGTGAX-ZDUSSCGKSA-N 400.464 0.655 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)O1 504436549 YONHMJYLXBTSMI-BZSNNMDCSA-N 413.478 0.989 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](Cc3ccccc3)C(N)=O)C2=O)cc1 504756427 NMILMHLAZGMLEZ-QZTJIDSGSA-N 419.441 0.976 30 20 HCED CCN(CCOCCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 505442316 PPCZDOLAEFWIAW-UHFFFAOYSA-N 409.508 0.816 30 20 HCED COCCCS(=O)(=O)NCC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1 505729205 JSWBJOJTWODWJX-GOSISDBHSA-N 424.523 0.360 30 20 HCED Cn1cc(-c2nnc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2C)cn1 507826919 CJOJRAIQPNVWHW-UHFFFAOYSA-N 412.479 0.598 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)n1 508335101 YKFQJPKDEYNPHQ-UHFFFAOYSA-N 408.172 0.575 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)n1 513249811 RPQYGDZIALQYLB-NSHDSACASA-N 405.411 0.515 30 20 HCED COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 514177897 HRABYJOMVAPVRP-SFHVURJKSA-N 424.505 0.623 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 516122821 BHCRGWGGIOUSNX-YJBOKZPZSA-N 407.492 0.520 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 519440599 NIPRZDJLHYMYRR-ZDUSSCGKSA-N 410.521 0.981 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1 523569339 RPNREPSXIXUUEG-UHFFFAOYSA-N 418.454 0.505 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cscn3)c2=O)cn1 523861112 VJOAZPPNMJXIDE-UHFFFAOYSA-N 412.500 0.354 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCCSC)c2=O)n1 532419650 XQSOZFYVXNZTBO-UHFFFAOYSA-N 418.544 0.706 30 20 HCED N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2coc(S(N)(=O)=O)c2)cc1 539950012 LEYDFVJOKJJJSA-CYBMUJFWSA-N 406.445 0.952 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n([C@H](C)C3CC3)n2)CC1 541362796 MVPOXNCAXKDTPQ-OAHLLOKOSA-N 402.499 0.547 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C(=O)NCc1ccco1 544201391 OAQBOWDSRNXHGO-CYBMUJFWSA-N 414.418 0.936 30 20 HCED C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549326428 OMECZCGSKPZZNI-OAHLLOKOSA-N 411.422 0.576 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)c2)CC1 556638074 RJFYADPDBIEYKZ-UHFFFAOYSA-N 421.523 0.569 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 557600665 LNIOCUAONFFQPS-LIRRHRJNSA-N 420.491 0.744 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)c1C#N 559932527 OGXPEOOTXAHBFB-UHFFFAOYSA-N 424.509 0.141 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)cc1 562211046 FOYRSHIHFCFQII-MRXNPFEDSA-N 420.878 0.703 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)NC(C)C)cc1 562213817 YTALVWJYVCUUOC-UHFFFAOYSA-N 418.541 0.942 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F 567274817 LOYGFEWLKUIXKZ-CYBMUJFWSA-N 411.459 0.413 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1Br 568906521 CLACNMSMHYBVCQ-NSHDSACASA-N 415.269 0.539 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 569276355 QBJQMHSDEPLKLK-GOSISDBHSA-N 400.479 0.965 30 20 HCED CCN1CCC(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 572386310 FZLXZBHMVCDUDR-LJQANCHMSA-N 411.506 0.623 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(Cl)cc1 586106892 SVJCPTVDOSKRKR-UHFFFAOYSA-N 413.890 0.843 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(OC)c2)c1=O 603796800 PZTPLUIKJXDXGP-UHFFFAOYSA-N 401.488 0.594 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608925390 JISRSZXOZIXZBE-HNNXBMFYSA-N 409.494 0.999 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@@](F)(C#N)C1 615638958 KGUDEFYDSDHRKO-KBXCAEBGSA-N 410.471 0.972 30 20 HCED Cn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 615982334 CDWXJQFJTNINQO-UHFFFAOYSA-N 404.513 0.969 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 618881076 UGAYJIWGBUDCPE-LJQANCHMSA-N 408.462 0.829 30 20 HCED N#CCc1cccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)c1 619471092 TVVQRTPKCJBXQS-UHFFFAOYSA-N 420.491 0.976 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 726581123 MDPMOGRUYBAISK-UHFFFAOYSA-N 415.478 0.395 30 20 HCED CCOC(=O)C1CCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727008618 POUWEYWCVNAFTH-UHFFFAOYSA-N 401.419 0.633 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 727010947 RWTVWUURWPVEGC-INIZCTEOSA-N 409.398 0.787 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(c3ccccc3C#N)CC2)c1=O 728709857 CNYKARCHKMGICX-UHFFFAOYSA-N 422.489 0.585 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(C)CCOC2)c1 733668883 XYNCWCYKUIOJDJ-QZMYASAMSA-N 422.507 0.981 30 20 HCED Cn1cc([C@H](O)CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 743648376 ZRIUHSDDYNLQMQ-MRXNPFEDSA-N 419.507 0.869 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C)c2=O)cn1 743727488 NQDFQFKGWZUOSX-UHFFFAOYSA-N 412.446 0.815 30 20 HCED C[C@@H](CC(=O)OCC(=O)NC1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 745496704 OPWRQOYSAVWLAQ-LBPRGKRZSA-N 409.464 0.342 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)CC1 746493353 KIDBOVKQULIOOB-UHFFFAOYSA-N 418.563 0.387 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 748231111 WHDZDNLWGIRKNA-UHFFFAOYSA-N 401.423 0.382 30 20 HCED O=C(CN1CCC(C(=O)NCCO)CC1)NCC#Cc1cccc(C(F)(F)F)c1 749675727 XOVXSRYXJCKMMZ-UHFFFAOYSA-N 411.424 0.994 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cn1C 750622325 XTQBBDVFSFQFDT-LLVKDONJSA-N 405.436 0.449 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 753882167 WJVYEZGFVZJMFS-CQSZACIVSA-N 423.491 0.573 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C)s2)c1=O 758052175 BTGSDSHVIPZHHC-LBPRGKRZSA-N 401.513 0.567 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)cn1 758499501 IYIXUGHKWFJMSC-VHDGCEQUSA-N 417.470 0.584 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)CC1 765114078 PKPBKTQAQMOQAK-UHFFFAOYSA-N 401.488 0.672 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C)CCC#N)C1=O 771430184 ORDKMSBPUNFPCN-ZUOKHONESA-N 416.434 0.766 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(CCCC)c2=O)cn1 772277731 QUQNRHJPPRGDIT-UHFFFAOYSA-N 401.492 0.273 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](Oc1ccc(F)cc1)C(=O)O 776685717 UUSOTTVGOBPPDM-AWEZNQCLSA-N 421.406 0.513 30 20 HCED Cc1nc([C@H]2COCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 779693664 PBFSIKHKKFQVPN-CYBMUJFWSA-N 405.436 0.407 30 20 HCED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)NO)CC1 782169731 RJDQGGFOHOWQAK-UHFFFAOYSA-N 405.860 0.467 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCNC(C)(C)C)c1 784192458 DWEZXBFXKFMLRZ-XQNSMLJCSA-N 423.539 0.942 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 785587774 NFPXATKHZFFDFU-DZGCQCFKSA-N 405.407 0.568 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1)[C@H]1CCCO1 789744925 VBGOJCBRHPLXCD-GOEBONIOSA-N 412.450 0.582 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCCNS(C)(=O)=O)C1=O 790722966 ADXOLXUEBGHCAE-NSHDSACASA-N 404.539 0.755 30 20 HCED Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NS(=O)(=O)CC3(C#N)CC3)cc12 793201651 PTWGNFHJUSFCAB-JTQLQIEISA-N 409.493 0.811 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)OCC(=O)N2C)c1cc[nH]n1 799054750 BTVRCLNDWCCTJT-UHFFFAOYSA-N 401.379 0.687 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 801760873 HARBANCSVSGXMA-AWEZNQCLSA-N 403.526 0.644 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)n(CCC#N)n1 810460090 RMKJYVWDRNBBIO-LBPRGKRZSA-N 414.388 0.961 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 813810831 HYWUYRPHRCNAEH-UHFFFAOYSA-N 406.284 0.624 30 20 HCED COc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C)c2)c1=O 837285724 POZZVAUCRMBMIX-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N(CC(=O)NCCOC)C1=O 914549293 BFIUVXHMCWNBEE-CQSZACIVSA-N 408.480 0.525 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 916870730 NJKYOXWTUYURSZ-MGPUTAFESA-N 400.435 0.624 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 916889214 LYRBIWPZYBLZPN-VBQJREDUSA-N 423.491 0.570 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCO3)c1=O 917768999 QMPOKOOFYXTCNI-UHFFFAOYSA-N 413.455 0.067 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C)c2)cc1 918454171 TUINLPGVEHQCOH-QNGOZBTKSA-N 404.452 0.810 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(OC(F)(F)F)cc2)c1=O 918729392 BQOMMEXSURXAAO-UHFFFAOYSA-N 422.388 0.923 30 20 HCED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1122706961 GTPQASVBTZGCMQ-HUUCEWRRSA-N 416.459 0.177 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@@H]1C1CC1 1141222349 TYWUOBNTFNTOOQ-CQSZACIVSA-N 411.505 0.151 30 20 HCED CN(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197300406 MVLYZPYIQQXRNB-UHFFFAOYSA-N 415.313 0.715 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)C1CCCC1 1211881283 MAJOYVWHXWTNLS-KRWDZBQOSA-N 414.553 0.932 30 20 HCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nncn2C)cc1 1300127464 PKTFBIXQJMIFTE-KRWDZBQOSA-N 408.466 0.977 30 20 HCED CS(=O)(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)Cc2ccccc21 1319870790 NTROFHRVHCEBTG-VHEBQXMUSA-N 418.475 0.711 30 20 HCED C=CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)OCC 1321029598 ZXCMVVHTYLOLCT-CQSZACIVSA-N 416.521 0.936 30 20 HCED 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411.462 0.954 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(C)n3)C2)C1 1831387209 FDYVCYXTKOBKSE-GCJKJVERSA-N 415.490 0.427 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3sc(N)nc3C)C2)C1 1831424188 DYMQWFKASSAKOO-LIRRHRJNSA-N 424.523 0.695 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSC(=N)N)C2)C1 1831487518 OHEYJECBCLPJJT-XJKSGUPXSA-N 404.558 0.024 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)c1 1831487966 UAIGDBCSYIYZQE-IEBWSBKVSA-N 410.540 0.602 30 20 HCED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1831628442 UFYWAGUVVGLBRH-AVRDEDQJSA-N 422.522 0.424 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)COc4cccnc4)CCO3)C2)C1 1832668379 PAJHKDWOIFMYQY-OAQYLSRUSA-N 401.463 0.883 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1833035440 HTELGVPYZPXEJK-GHTZIAJQSA-N 420.510 0.547 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](O)c3ccco3)CC2)CC1 1833463858 DFDIFACMSKAQPD-JXFKEZNVSA-N 417.506 0.923 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(C)n3)CCO2)C1 1834453210 MMSJFWIGXBJJPR-IFXJQAMLSA-N 407.492 0.560 30 20 HCED CC(C)[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 1834525837 QXYASQIBJWVHKW-WMZOPIPTSA-N 410.584 0.791 30 20 HCED COc1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1C 1834581830 RJDWHADFFBXDFF-LIRRHRJNSA-N 409.508 0.787 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)CN4CCCC4=O)CC3)CC2)CC1 1834626110 FRGYMGGJTCWKGS-UHFFFAOYSA-N 401.511 0.484 30 20 HCED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1834985083 RDVXJWNQNINIHO-VYUJJKDHSA-N 413.471 0.008 30 20 HCED CCOc1ncccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835339436 MTNLIOHCDOXCSK-NRFANRHFSA-N 414.462 0.854 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cnc5ccccc54)C3)C2)CC1 1835347882 IUFNJXOCMUPETN-QFIPXVFZSA-N 423.473 0.796 30 20 HCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 1836258845 HURUFQPPBMAZAC-UHFFFAOYSA-N 422.493 0.430 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H]1C)CCO2 1836740889 FWSKUMNHFDELHK-NOORXXIUSA-N 419.522 0.737 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1[nH]cnc1-c1cccnc1)CCO2 1838498967 JXCHZTAJJUUJHV-QFIPXVFZSA-N 423.473 0.955 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839446225 JQTYAGHZQSSCSB-BTYIYWSLSA-N 420.462 0.759 30 20 HCED Cc1nc2ccc(F)cn2c1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839526142 CNUZROGWZTXCEE-FQEVSTJZSA-N 415.425 0.766 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4cccc(F)c34)CCO2)C1 1839620708 RCGIYVGTTVOZTH-BFUOFWGJSA-N 422.482 0.862 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1839838347 FZNDZILUDPMRBB-BEFAXECRSA-N 414.524 0.561 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)Cn1cnc3ccccc31)CCO2 1840101136 YYRLORJRXYUHDW-QHCPKHFHSA-N 422.485 0.906 30 20 HCED CCc1[nH]nc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c1F 1840158898 SEKCHAOLOUTCKD-APPDUMDISA-N 400.476 0.500 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840816544 ZOCCSIKDVPYEHH-UTKZUKDTSA-N 415.494 0.903 30 20 HCED Cc1cc(NC(=O)CC(=O)N2CCCC23CN(C(=O)C(C)(C)NCCC#N)C3)no1 1843399913 CJFVGNCYLFKOCV-UHFFFAOYSA-N 416.482 0.797 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1845068510 ITZMSJLGWDFXGH-KVPVBUAESA-N 414.506 0.449 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCCC23CN(C(=O)c2cc4n(n2)CCNC4=O)C3)c1 1845485086 NLTVDRKUNYUBBC-UHFFFAOYSA-N 422.420 0.768 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2cc(C)ccn2c1=O 1847802191 ONFJHSAQTKCMDP-NJAFHUGGSA-N 408.458 0.857 30 20 HCED CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 25970649 NYOJGMMVJXPPOO-UHFFFAOYSA-N 404.492 0.650 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)c1 435485944 YVFLWAVKSAOQPU-QGZVFWFLSA-N 418.457 0.844 30 20 HCED CN(CCNC(=O)CNC(=O)c1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 437498536 STGTXXTYVUUHPH-UHFFFAOYSA-N 418.450 0.864 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@@H]3[C@@H](O)C(F)(F)F)n2)cc1 440130357 YLLSEQVAZZKAMR-ZIAGYGMSSA-N 422.367 1.051 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N(CCO)C2CCOCC2)n1 441906765 GAFFUXVQLAJJDM-UHFFFAOYSA-N 417.853 1.336 30 20 HCED C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 442522162 JJTMJNWGRUJBLV-GXTWGEPZSA-N 401.398 0.820 30 20 HCED CCOC1CC(O)(CNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 447425322 CETZGSJOTYMUPX-UHFFFAOYSA-N 417.853 1.382 30 20 HCED CCN(CC)C[C@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460698571 DILKPUZQYMUJQS-QGZVFWFLSA-N 409.494 1.576 30 20 HCED CNC(=O)[C@@H](NC(=O)CN1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 464859961 YOEKXZUDJJRQBG-KXBFYZLASA-N 407.478 0.462 30 20 HCED CN(CCCNC(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1)S(C)(=O)=O 471157010 NTZBPBMFOQGZKM-SFHVURJKSA-N 407.540 0.267 30 20 HCED CN(CC(=O)NCc1ccccc1OCCO)S(=O)(=O)c1ccc(C#N)cc1 473595216 XDPCQYRDODRRLC-UHFFFAOYSA-N 403.460 0.866 30 20 HCED C=C(C)COCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 475467186 KZBDDVGVFNLVQS-GOSISDBHSA-N 417.462 0.348 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 480962937 VYHGRCIPIZLNGZ-UHFFFAOYSA-N 410.430 0.890 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCO[C@@H](C(=O)NC)C2)c(C#N)cn1CCOC 481446424 JVPLICPESGLUDW-CYBMUJFWSA-N 407.427 0.162 30 20 HCED CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481892483 LCOPIRNTSBUWIF-QWHCGFSZSA-N 401.510 0.507 30 20 HCED Cn1cc([C@H](CO)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 494807955 IZDXDDZIEDUGCV-OALUTQOASA-N 400.458 0.591 30 20 HCED C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 499994823 HKDCPDNWRORBQT-YOEHRIQHSA-N 408.524 0.100 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502008785 IYIRSVRNZQJRGG-INIZCTEOSA-N 413.521 0.682 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC)c1 502045189 PCASAQMBAIHJMX-UHFFFAOYSA-N 423.498 0.670 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 508631186 PNXLXHZHKMJTPF-GOSISDBHSA-N 406.446 0.915 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 511914284 LRVAYDDRBYFXDO-UHFFFAOYSA-N 423.476 0.696 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 523120049 ZYGRYPQEVRTDJW-MRXNPFEDSA-N 416.482 0.389 30 20 HCED COc1ccc([C@H](CNC(=O)Cn2cnc(C#N)n2)N2CCOCC2)cc1OC 533182915 ZRQDKEXCHSQZFR-HNNXBMFYSA-N 400.439 0.357 30 20 HCED CN(CC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)S(=O)(=O)c1ccc(C#N)cc1 534849804 HIOKWIVWPNSHLQ-UHFFFAOYSA-N 412.431 0.793 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 537818701 SYWCPRHHSSAUKG-OAHLLOKOSA-N 401.510 0.305 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C1CC1 542011284 RFHAEOPXOLIOGW-UHFFFAOYSA-N 402.457 0.996 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CC(N)=O)C2CCOCC2)CC1 544456193 GDXISRQSHXHMJL-DLBZAZTESA-N 419.551 0.717 30 20 HCED C=CCCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 550572556 FXKCKTRNRXRABO-UHFFFAOYSA-N 415.537 0.858 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 553124873 CSKMAQMGHKLLJU-INIZCTEOSA-N 415.469 0.719 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 554728662 XUQWBUJTDGWHHY-QGZVFWFLSA-N 416.526 0.451 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 555041166 FMGFJFNIBSNPPJ-UHFFFAOYSA-N 403.420 0.349 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 556653127 ODEXZKSEVINQKM-LJQANCHMSA-N 415.538 0.160 30 20 HCED CCC(CC)CN(CCC#N)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 557634149 VQLPTJVUKHQOBJ-NVQRDWNXSA-N 404.471 0.594 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 562024241 GGUMWRJAJZETBU-HNNXBMFYSA-N 400.468 0.730 30 20 HCED CN1CCC(CN(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 565267393 NIHMACVXBKHIKF-LJQANCHMSA-N 411.506 0.970 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(COC(C)(C)C)on2)CC1 565898341 QYKNIEBAJZWZTH-UHFFFAOYSA-N 421.498 0.052 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)cc1 588776789 SDAOEVHVEKNFGV-UHFFFAOYSA-N 423.516 0.869 30 20 HCED Cc1cc(NCCN2CCCOCC2)c(C#N)c(NCCN2CCCOCC2)n1 590584950 YAOONYVRDRNUIV-UHFFFAOYSA-N 402.543 1.530 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CC=C 603986320 UAEBNRZNYDWPGQ-UHFFFAOYSA-N 402.457 0.871 30 20 HCED Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)c1C 609416438 BJUNSIHGBSQHKC-UHFFFAOYSA-N 424.526 0.574 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)c1=O 610217394 CHEPJNPJHIFUQT-GFCCVEGCSA-N 401.398 0.034 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1nn[nH]n1 610859245 YLHVQNCQWFRXCA-BLLLJJGKSA-N 411.447 0.644 30 20 HCED CC(C)C[C@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 611113714 GLIRHJDHPLEPPV-CQSZACIVSA-N 401.510 0.924 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 615632120 CIPLHRZGDPSKDO-HXUWFJFHSA-N 408.393 0.947 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)CC2)c1C#N 615961142 ADWNFDMFDLMYEZ-UHFFFAOYSA-N 407.434 0.766 30 20 HCED CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1 726112619 GFWFKSZMJIEALO-BIDVBJRCSA-N 405.524 0.929 30 20 HCED CCCC(=O)NC[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 726171500 HJWUCZTVWASGMQ-CQSZACIVSA-N 406.508 0.880 30 20 HCED CN(C)CCCN(CCC#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727863247 AOYXRHQRTZPMCF-UHFFFAOYSA-N 424.303 0.586 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)CC1 733149321 FLAJWVYUTBUUQR-HNNXBMFYSA-N 404.898 0.742 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 733150851 YDCLKLRVHZPCIJ-UHFFFAOYSA-N 411.422 0.073 30 20 HCED C[C@@H](CC(=O)NCC(C)(C)N1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 742479813 GUJDEPFQFGDWFN-AWEZNQCLSA-N 408.524 0.731 30 20 HCED CCN1CCN(c2ccc(CNC(=O)C(=O)Nc3cnn(CC#N)c3)cc2F)CC1 746396300 YXMZNFAPETUQNJ-UHFFFAOYSA-N 413.457 0.943 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 747373667 IKRRBCMLHTWHGE-FVQBIDKESA-N 406.508 0.435 30 20 HCED C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 750967568 RJVRWTVPILNPCO-HXUWFJFHSA-N 416.401 0.940 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)OCc1ccc(C#N)cc1OC(F)F)c(=O)n2C 752533480 AHSBKUDJDNOSSX-UHFFFAOYSA-N 419.344 0.650 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CC(=O)N3C)C1=O 754935423 YRVCSFLZJGOZMZ-NSHDSACASA-N 413.386 0.297 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)ccc2OC)c1=O 758057058 DCVJEMGQUDJZIR-UHFFFAOYSA-N 413.886 0.987 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762295828 MUVQNWGVGIIKMD-SUMWQHHRSA-N 403.464 0.559 30 20 HCED CCOC(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 764583329 KIGTVRBBXNKDPZ-CYBMUJFWSA-N 408.480 0.962 30 20 HCED CCCCNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628313 QBJIXDQNWLMTFB-LBPRGKRZSA-N 410.452 0.394 30 20 HCED COc1ccccc1CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)C 771890169 DVGNQLHLWKJTPB-UHFFFAOYSA-N 408.480 0.626 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOCC)n(C3CC3)c2=O)cn1 772300134 NKYUXKHPQZEHFP-UHFFFAOYSA-N 413.503 0.588 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(=O)N(C)C)c2=O)cn1 772302945 MRTDWNOHOMNHSA-UHFFFAOYSA-N 413.503 0.413 30 20 HCED C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C)c1 774869279 JRMOTSNAFFKSKG-UHFFFAOYSA-N 401.510 0.150 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cn1 782976751 KXBBGGUGFASHQO-UHFFFAOYSA-N 419.449 0.215 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1OCCCOC)[C@@H]1CCS(=O)(=O)C1 783479346 JAWFCPJGYOYISS-OAHLLOKOSA-N 408.476 0.689 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(Oc2cnccn2)c1)[C@H]1CCS(=O)(=O)C1 783479579 FAFNVKQNNZHWBN-HNNXBMFYSA-N 414.443 0.856 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)c1C#N 788475996 LEFHKSNYKINQKC-SFHVURJKSA-N 420.477 0.369 30 20 HCED C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc3nc(O)nc(O)c3c2)n1 788693409 BKEADKNJSLOOMZ-UHFFFAOYSA-N 418.435 0.103 30 20 HCED C[C@@]1(c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)NC(=O)NC1=O 791187757 CEIVUSAZUHWNKD-NRFANRHFSA-N 404.430 0.970 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)C1=O 801039114 JVGCJDSNZNOSMS-LJQANCHMSA-N 408.455 0.727 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NC3CC(NS(C)(=O)=O)C3)ccc2c1=O 801464325 VQOTYFZNLLLYFH-UHFFFAOYSA-N 408.505 0.681 30 20 HCED O=C(NCCCN1C(=O)c2ccccc2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 806779865 DRUUDOVJOLMZJI-WUKNDPDISA-N 411.418 0.498 30 20 HCED CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 807366619 CWTYWILCFQLIHI-UHFFFAOYSA-N 413.438 0.929 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1COC2(CCCCCC2)O1 809675552 QRWYPXNJXWFHGW-AWEZNQCLSA-N 418.498 0.837 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cncn2C)cc1 810432782 KVEMIEPDFXTNHI-JWGURIENSA-N 418.479 0.488 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3c(Br)cnc3C2)cc1 811458476 XXMDQLQCJVRSQI-UHFFFAOYSA-N 424.280 0.838 30 20 HCED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CN(C(=O)OC(C)(C)C)C1 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420.433 0.460 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(C)n3)[C@H]2C1 1787692716 OBHZMCKOFIBURE-UOVPBQLFSA-N 402.495 0.951 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nonc4c3)[C@H]2C1 1787878536 BPYATWWDTJXECL-FJXLLPKBSA-N 412.446 0.854 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnc(-c4ccccc4)o3)[C@H]2C1 1788665249 PFRVVPFXZLDJDZ-JYJNAYRXSA-N 424.413 0.418 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cnn(C)c3)[C@H]2C1 1791672672 ISVWVTXRKCUCSG-UBDQQSCGSA-N 405.499 0.743 30 20 HCED CC(C)[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1793379789 AJGYFIIATYWMCN-MVJTYMMSSA-N 420.535 0.355 30 20 HCED C=C(C)CC(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@H]1NC(=O)NC1=O 1793942716 OWDUYFPTHRPXTA-HLPPOEQASA-N 406.483 0.167 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1noc(C(C)C)n1 1793995946 BSCXDKIBBUQSLA-AFIMGQEJSA-N 404.467 0.363 30 20 HCED 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C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Oc1cccnc1 1801396652 YETVPYUKGQMKBH-OYNZLANYSA-N 401.463 0.477 30 20 HCED O=C(O)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(=O)nc3sccn13)C2 1801988924 RKJXLCFKEDEGKS-ZSBIGDGJSA-N 400.416 0.096 30 20 HCED CCN1CCC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)CC1 1802172232 UGERSVUDMJVFDO-REPLKXPHSA-N 419.570 0.590 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)CCc3nc(N)n[nH]3)CC2)C1 1806002859 JOTBVKSTWOSEGO-OAHLLOKOSA-N 402.499 0.589 30 20 HCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1819774961 YWBLKJYBQKSIOD-ZEXWCCDYSA-N 418.523 0.805 30 20 HCED N[C@H](CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)c1cccnc1 1822200369 KURWUEQSCFDLPD-GDBMZVCRSA-N 410.434 0.975 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC2 1823080624 ZUXRYYZBFICHKT-IJLUTSLNSA-N 424.527 0.449 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)CCN2C(=O)C=CC2=O)CC1 1824773010 PDTZWPDJBNEFFB-MRXNPFEDSA-N 415.446 0.009 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCN(C)CC2)CC1 1828440622 VBNOWIUVMWUJSZ-FPOVZHCZSA-N 418.582 0.892 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnccn3)CCO2)C1 1830960268 OZLJBQYVILWMQN-HKUYNNGSSA-N 408.524 0.430 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1831222583 DYWQBROCSQFARG-JOCHJYFZSA-N 416.449 0.801 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)c3)C2)C1 1831396260 IMLCWWRTDDTGNB-LAUBAEHRSA-N 401.463 0.498 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(C)c3)C2)C1 1831406318 GXUVDGWFIZNXFF-FQEVSTJZSA-N 406.483 0.473 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1831426771 OSZSQAYGLXRFBG-DIGZUXTDSA-N 421.538 0.374 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](S)C(C)C)CCO2)C1 1831496387 VSFGJWBKLKBRNF-GPMSIDNRSA-N 401.573 0.737 30 20 HCED CCOc1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCC#N)C3)C2)cn1 1833430103 NJURXEJXFGWZBN-LJQANCHMSA-N 403.439 0.249 30 20 HCED C=CCOCCCC(=O)NC1CCN(C2CCN(C(=O)c3ncn(C)n3)CC2)CC1 1833471062 CUKDYNQAYFDNAM-UHFFFAOYSA-N 418.542 0.983 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C)n3)CCO2)C1 1836306794 NMWOGLKHQSDYFC-GCJKJVERSA-N 415.490 0.807 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4nccc5nc[nH]c45)CCO3)C2)C1 1836455314 UHLQXYVNCFSEFO-NRFANRHFSA-N 411.462 0.994 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)OC)CC2)CC1 1836871010 OVDRMOXSJWONBE-OAHLLOKOSA-N 411.499 0.932 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5cncn5c4)CCO3)C2)CC1 1837121099 FKXISXLRXQLLFI-NRFANRHFSA-N 409.446 0.708 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)n3)C2)C1 1837395388 YYAVTNMROIMMIZ-JXFKEZNVSA-N 406.483 0.063 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1837403339 RJMNZFIXXBUFDE-GBSAAQIZSA-N 422.522 0.583 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837413683 ADYXDDDULPISAI-QDLBXXMRSA-N 417.462 0.848 30 20 HCED CC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837526810 GPBJWBLLBVBILP-XJQQXKLYSA-N 419.425 0.627 30 20 HCED N=C(N)NCC(=O)N1CCC(OC2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1837728630 LVWZNSFARZXDRP-UHFFFAOYSA-N 411.506 0.520 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc(Cl)ncn3)CC2)CC1 1838500881 WTXYVNXKNSMRKY-UHFFFAOYSA-N 420.853 0.830 30 20 HCED Cc1noc(N)c1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735215 ZSLWUYNHHTVYKH-IBGZPJMESA-N 414.422 0.149 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)COC)C2)C1 1839173196 DUXBLKOAISTPCS-JXFKEZNVSA-N 412.483 0.235 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cncnc3)C2)C1 1839223292 RMQNQISIVPLZNU-OXQOHEQNSA-N 419.482 0.276 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)CCO2 1839429683 XVNYGPCPZTTXQO-IBGZPJMESA-N 405.382 0.746 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839620137 AUTZGVWKWVRBGJ-OAQYLSRUSA-N 414.437 0.957 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839886942 QTDOFQAJDQRYRG-YJBOKZPZSA-N 414.405 0.981 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1)C(F)(F)F 1839892724 CSIRVAYRDLEBMX-KRWDZBQOSA-N 418.368 0.960 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3scnc3C3CC3)C2)C1 1840040902 DSFXSXMITYRNHD-LJQANCHMSA-N 419.459 0.179 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3F)C2)C1 1840043021 CPJWFKJENNQODC-IBGZPJMESA-N 408.357 0.123 30 20 HCED Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1840044668 QNLFEGBIRQCEGD-JOCHJYFZSA-N 414.458 0.472 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn4ccnc4c3)C2)C1 1840161451 PDVBKTRHVJIXJE-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1840291299 MCLUQYJVPKLUOD-PZJWPPBQSA-N 404.463 0.963 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1 1840293302 RZKKNZNTKOAGIZ-NRFANRHFSA-N 417.462 0.756 30 20 HCED Cc1ccc(/C=C/C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1840397271 SFTYVQHWNUAKGS-SGSXCFNPSA-N 418.471 0.614 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)C1(O)CCC1 1840811342 IOSBZDBMKFABQO-UZLBHIALSA-N 405.495 0.688 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840841943 CZNJMXRXNSYRIN-NRFANRHFSA-N 400.479 0.392 30 20 HCED C=CCSCC(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1841884052 OUQYZIHXPLTTPA-UHFFFAOYSA-N 403.508 0.753 30 20 HCED CN(CC(=O)NCCNC(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 55625791 IBUDTXROWNNFEC-UHFFFAOYSA-N 418.450 0.864 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 60634365 UDVAQKFJQXNVEL-UHFFFAOYSA-N 413.459 0.733 30 20 HCED CC(C)CN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1=O 428154828 QJHYUCDZIKDNIZ-LSDHHAIUSA-N 406.508 0.940 30 20 HCED N#Cc1ncccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 428269989 XUZILNGBVQEIAZ-UHFFFAOYSA-N 410.452 0.788 30 20 HCED Cc1ccnc(-n2nccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 429998221 XZOSMFWTMLCHLW-UHFFFAOYSA-N 411.466 0.589 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 437049964 FKDSCNNFOXDPDP-MAUKXSAKSA-N 421.519 0.957 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 443792058 QWPGXQMHQPUDJS-UHFFFAOYSA-N 408.358 0.103 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)cc1 445183190 FVRFHSLVOBMWBZ-HNNXBMFYSA-N 402.495 0.845 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)C(=O)N1CCCCC1 460691024 PVZGJSIPLVERBT-CQSZACIVSA-N 409.450 0.903 30 20 HCED N#Cc1c[nH]c2ccccc2c1=NC1CCN(S(=O)(=O)N2CCOCC2)CC1 462855896 DNMDGWQJPCQSBQ-UHFFFAOYSA-N 401.492 0.982 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 464128484 PGNWZBGIKWJVTO-MRXNPFEDSA-N 417.491 0.728 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1=O 464634929 DKRGIDQFVVAXRY-UHFFFAOYSA-N 416.390 0.941 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 464692216 OVJCOIUNOYBVAQ-DTDBQYNISA-N 406.402 0.630 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1 465121326 MQNCRQWERWTHNX-CQSZACIVSA-N 419.445 0.751 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2cccn2)nc1 465427592 YMHWMWUGXCPKBN-CQSZACIVSA-N 417.433 0.605 30 20 HCED CN(CC[C@@H]1CCCO1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 467155799 TVDZARGXLDFWEU-SFHVURJKSA-N 420.535 0.892 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2cc(C#N)ccn2)CC1 470460483 XJVYZEZJAKFJPY-UHFFFAOYSA-N 414.491 0.670 30 20 HCED N#CCC1(O)CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 473375165 WFPNFYHXSREJDS-UHFFFAOYSA-N 409.372 0.846 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CC(C)C 474355071 PCHMYOCCEPBUCI-HNNXBMFYSA-N 414.531 0.923 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482236386 GWAGVWFJSOHUHY-BJJXKVORSA-N 409.464 0.404 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](CO)OC[C@H]2C)cc1 484436913 VAKVBCZTWIGAFK-HIFRSBDPSA-N 411.480 0.040 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C)c2C#N)C1 488624815 HRNUYAAEPRUUHZ-OAHLLOKOSA-N 422.507 0.704 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2CC)CC1 489101911 MLTMRQNKVPABSV-UHFFFAOYSA-N 414.506 0.736 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c(Cl)c1 490408219 IBAQSHCPXODJRK-UHFFFAOYSA-N 412.837 0.993 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](COC)c2ccc(CC)o2)CC1 497201199 VCCYQEZPSRADTE-MRXNPFEDSA-N 406.483 0.092 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cscn2)c1=O 497572528 BSJLEESWGYJMOI-CYBMUJFWSA-N 404.517 0.575 30 20 HCED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCOC1 500217505 IPPUTRBMYZXTQS-RDJZCZTQSA-N 406.508 0.406 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 501000040 JJSVOZCWWWCVHJ-WRFANHODSA-N 403.435 0.924 30 20 HCED C[C@H]1CCC[C@H](CO)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501030251 VCMIEEIDVBJLTL-FUHWJXTLSA-N 420.535 0.626 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)o1 503645848 CBBNSUWWZZQSTD-UHFFFAOYSA-N 408.436 0.733 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)cc1 506428499 KHBCNIJDLVDZKF-LBPRGKRZSA-N 414.459 0.022 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)cc1 507783377 MVTQACIRTDWMTB-QAPCUYQASA-N 400.479 0.863 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCOC1 510080199 XXULMJPAWBNLMY-QGZVFWFLSA-N 406.508 0.502 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(CCC(N)=O)Cc1ccccc1 519801006 YVIKEVXUPREWQV-UHFFFAOYSA-N 405.480 0.450 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3ccnn3)CC2)nc1 520082308 WOIMDDURVCDHNJ-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)CCO1 523073155 XZIPGAYWOWYGSO-GFCCVEGCSA-N 412.855 0.569 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)NC(C)(C)C 532452278 YVVFXPLBZQLXDF-LBPRGKRZSA-N 416.525 0.059 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCSC1 536344187 XDYWKQYQWGYUCW-INIZCTEOSA-N 408.549 0.828 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCSC[C@@H]2C#N)s1 539328794 LXKZLUOHWBLKDL-NSHDSACASA-N 402.523 0.130 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 540269186 LMZXQKRZUVGTIX-INIZCTEOSA-N 420.425 0.897 30 20 HCED Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 543052038 YOUXCKPSEUFGOO-ZDUSSCGKSA-N 418.435 0.669 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)CN2CCCC2)c1 545999279 OIIMSGDFYVILOO-MRXNPFEDSA-N 412.450 0.797 30 20 HCED Cc1nc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 550279821 UTWSBVTVNBWPCL-UHFFFAOYSA-N 401.496 0.373 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 552192774 GBOHIQZYIUSFSR-UHFFFAOYSA-N 418.566 0.320 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 555045811 GLMFCNOOPGAHQL-UHFFFAOYSA-N 423.495 0.236 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3nnc4n3CCCC4)C2=O)cc1 556603245 SVVKTQHWIPLLKC-MRXNPFEDSA-N 421.461 0.414 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cn1 560231388 KIDILFFKSRWADL-UHFFFAOYSA-N 410.434 0.261 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 561339807 AZGBSYJVNRVQHH-INIZCTEOSA-N 402.499 0.188 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 561362882 DRFMYXDZCAJWDZ-HNNXBMFYSA-N 410.471 0.905 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 561706836 ITOZVXHYHDSEBK-ZTFGCOKTSA-N 414.462 0.086 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)c1C 562159766 ZNQAFWPRKGVKKF-UHFFFAOYSA-N 418.479 0.307 30 20 HCED Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 565324108 CNJPZYQRRPQURS-CQSZACIVSA-N 409.494 0.700 30 20 HCED CCNC(=O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 566039818 JEZYBNGOROJXMP-AWEZNQCLSA-N 409.450 0.985 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)cn1 582211907 LINDUUZHSBJZFA-UHFFFAOYSA-N 405.422 0.160 30 20 HCED CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 585760293 CASNGPVKCZLWAC-GOSISDBHSA-N 419.441 0.858 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 588278830 QVKZNYDEBOBODO-JLTOFOAXSA-N 422.449 1.432 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1CN(C)CCO1 589138343 BMBROJKFZHCJTB-BEFAXECRSA-N 400.479 0.763 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCN(C[C@H]3CCCO3)CC2)n1 589393084 WDMKPSAFSKPVKS-MRXNPFEDSA-N 423.477 0.791 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)c1N 608924386 YTQKLLNGNOBIAA-UHFFFAOYSA-N 410.459 0.946 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610698239 YJLNMDVGEFHORW-FMKPAKJESA-N 423.481 0.496 30 20 HCED Cn1cccc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 610757061 LRDWXHIRGZMLTE-UHFFFAOYSA-N 403.420 0.952 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2ncccn2)CC1 610798803 ATDXCVYBOJVKKQ-AWEZNQCLSA-N 414.491 0.800 30 20 HCED CCCc1c(NC(=O)C(=O)NCCc2nnnn2C)cnn1-c1cccc(C#N)c1 615510154 YJRJSNKEZPQGCE-UHFFFAOYSA-N 407.438 0.517 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(S(N)(=O)=O)s3)C2=O)cc1 616948303 PFQOGPOATJEMPN-HNNXBMFYSA-N 418.500 0.727 30 20 HCED C#CCNC(=O)C1CCN(Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)CC1 725770956 DSQVCLZMJHOBRR-UHFFFAOYSA-N 420.491 0.264 30 20 HCED C#CCN1C(=O)[C@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403754 MWEVTZQGSWCFJA-LZICOFPGSA-N 420.516 0.436 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1 728532232 PTVMYHZEIOYXKL-HNNXBMFYSA-N 412.556 0.526 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1F 733975956 BIMSGHAZNJRBGG-HNNXBMFYSA-N 412.531 0.903 30 20 HCED O=C(CCNC(=O)N1CCc2ccccc2C1)NCCN/C(O)=C1\N=CC=CC1=O 735116464 MKEFQNDACRYOOA-FMQUCBEESA-N 411.462 0.787 30 20 HCED C=CCNC(=O)NC(=O)CSc1nnc(-c2cncc(Br)c2)n1N 736444282 NNOFYWBZHFKAIZ-UHFFFAOYSA-N 412.273 0.920 30 20 HCED O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC(=O)NCc1ccccc1 741344905 SQXNMMSCZIHJRB-ZCXUNETKSA-N 400.391 0.472 30 20 HCED C[C@@H](CC(=O)NCCCCN1CCN(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742536996 RQFIFYCCAYGEHO-INIZCTEOSA-N 421.567 0.648 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 744879266 VNKYBWLRWNDKEM-LLVKDONJSA-N 402.494 0.741 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 746019316 IVLMVOYNUAFALO-SFHVURJKSA-N 417.554 0.634 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC(=O)c1ccc(C#N)cc1 748307590 ZNDTVTVDJXHLDB-LBPRGKRZSA-N 415.427 0.750 30 20 HCED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)NC2(C#N)CCCCC2)C1=O 750965161 FQFFXXBYINJZCF-IBGZPJMESA-N 422.449 0.772 30 20 HCED COC[C@@H](C)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 756655207 OWQVYTBWYRIRHA-HNNXBMFYSA-N 423.491 0.607 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2ccn(C)n2)C1=O 760457870 CUJZXOJVOUIKFM-OAHLLOKOSA-N 414.491 0.829 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1 761024392 NHNNQMBJGRLUBR-AWEZNQCLSA-N 405.480 0.891 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)cc1 763483236 LGXXMQWBMWURMS-CBZJRKILSA-N 420.516 0.277 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCC(=O)OCc2ccccc2)CC1 767260246 ISIOSLCPUPLNLN-UHFFFAOYSA-N 421.519 0.207 30 20 HCED CCOC(=O)CON=C(C(=O)Nn1cnc2sc(C)c(C)c2c1=O)c1cc[nH]n1 770821328 YKCDNPGSUNIHMS-UHFFFAOYSA-N 418.435 0.852 30 20 HCED COc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)cc(Cl)c1OCC(N)=O 771076124 DZDZHRAJNKLDKZ-UHFFFAOYSA-N 415.855 0.966 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2ncnc2C1 771626239 ICEVOISQCLQFKA-CQSZACIVSA-N 402.480 0.918 30 20 HCED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C1 774239917 RYHFOYKGZAFGBE-GBOPCIDUSA-N 419.434 0.595 30 20 HCED C#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCCO1 775330923 WXVFQMQSSBLZMD-HZPDHXFCSA-N 408.476 0.813 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780609406 RKWJAJJGUNKBTH-HTAPYJJXSA-N 418.538 0.917 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 782987199 KNLLHPCLLXDLQQ-UHFFFAOYSA-N 404.485 0.941 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 782998835 YXPJRZLOWLMZQA-ZNMIVQPWSA-N 406.487 0.945 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 783298798 WCSMAJGURDDSBG-HNNXBMFYSA-N 407.558 0.623 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 783348188 YPXHEQCRNDRASX-UHFFFAOYSA-N 405.411 0.539 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(CC)Cc2ccccc2)C1=O 783358781 WAMLWORHAMPNKV-AWEZNQCLSA-N 401.419 0.944 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 783481855 YTTVAVIYJFKPPB-GFCCVEGCSA-N 412.851 0.714 30 20 HCED CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 784381016 XVMQAVIABSHVBP-RCCKNPSSSA-N 423.495 0.032 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 785659193 BMSGIQUTNDRCFK-HUUCEWRRSA-N 420.491 0.352 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CCCN(S(C)(=O)=O)C2)c1 786492435 RAFCVFBMANQQRD-AWEZNQCLSA-N 414.505 0.427 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccsc2Cl)c1=O 790428625 YUOLMCNYJKSZOK-UHFFFAOYSA-N 407.904 0.524 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)cc1 791007934 XQJSJDQOWWGMFS-JJTVEENBSA-N 422.507 0.667 30 20 HCED COC[C@]1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 796210368 BWFPLGVEIYQPSS-WMLDXEAASA-N 418.516 0.461 30 20 HCED N#CCNC(=O)CNS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 796216560 FYWCBZSKHAPOKO-UHFFFAOYSA-N 406.649 0.668 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 800080319 XHEAFVJWPIIHLA-LSDHHAIUSA-N 420.532 0.707 30 20 HCED COCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 802493606 SDIZTWQNOVIKBI-AWEZNQCLSA-N 419.511 0.922 30 20 HCED N#Cc1ccncc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 805718743 JEKSERDMKOZYCB-UHFFFAOYSA-N 414.443 0.643 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)n1 807639255 VCRKCKHIDTUCBG-OAHLLOKOSA-N 414.510 0.589 30 20 HCED CSCC[C@@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)c1cncc(C#N)c1 813980820 ISRMEVASASKSPZ-CYBMUJFWSA-N 408.461 0.903 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCc4nc(N)ncc43)nc2)CC1 814745875 JGKDEZYUARQXEM-UHFFFAOYSA-N 416.511 0.542 30 20 HCED C#CCN(C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 818588895 IWUNMVOCSKKQLJ-KRWDZBQOSA-N 408.480 0.819 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(O)nc1=O 916779388 BZMQSTBTWVNPDC-UHFFFAOYSA-N 402.310 0.495 30 20 HCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 916873464 WAEFPDITZRVDCY-OAHLLOKOSA-N 420.491 0.707 30 20 HCED N#C[C@@H](C(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1)c1nc(O)c2ccccc2n1 917023363 ZKDRFQPEIOKLLA-MAUKXSAKSA-N 409.446 0.835 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cncn1 920475201 FWSRGQDIFYGSQR-OAHLLOKOSA-N 404.496 0.938 30 20 HCED C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H](C)C2)CC1 949864865 MEFWZBSSRHTNLE-DABHTEOTSA-N 403.523 0.346 30 20 HCED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1 996962824 LEVDBIUFIOAEBD-FTWQHDNSSA-N 400.523 0.494 30 20 HCED COC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1138813966 JUSNGBBZUFWRJW-LBPRGKRZSA-N 402.432 0.723 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1297777868 PQVRROATMOYQCV-MRXNPFEDSA-N 420.495 0.622 30 20 HCED COCc1nc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cs1 1301213519 XJNGZZBBWBMTFX-CQSZACIVSA-N 417.495 0.780 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CC1 1301809062 JNYULDBDSMNURA-KBXCAEBGSA-N 411.528 0.708 30 20 HCED CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1313556742 WYTDERBTLZFFAI-KBXCAEBGSA-N 408.528 0.789 30 20 HCED CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1314869548 BCMZJCBHWRZRNV-NRFANRHFSA-N 412.494 0.737 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(c4ncccn4)CC3)C2=O)cc1 1318584662 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0.517 30 20 HCED CS(=O)(=O)CC1(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1750197779 JEKLIKHNMASKJG-ZDUSSCGKSA-N 403.468 0.289 30 20 HCED CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1766370999 PLSHOUIHUPDQSV-INIZCTEOSA-N 409.450 0.936 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)CCO1 1771536384 RAKPMEXGUXYCLG-NSHDSACASA-N 420.380 0.035 30 20 HCED C[C@@H]1CCc2c(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)n[nH]c21 1778605528 VYZUYEXARSAMED-MFLXSWDHSA-N 414.462 0.675 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061233 SSHQTDRYFCDPBU-VGSWGCGISA-N 419.522 0.430 30 20 HCED CC(C)N(C)CC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779069121 NDKOQMRTWQSFFL-JOCHJYFZSA-N 405.539 0.855 30 20 HCED C/C(=C/C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1)C(=O)O 1779108803 ASTKUORTLISVEH-UKUSSYIWSA-N 409.439 0.376 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1CNC(=O)O1)C2 1779439918 DCQHLPPNZNXCMZ-FKVULVNESA-N 418.450 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C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839866571 FGXXHIAPIBMPIJ-KKSFZXQISA-N 407.511 0.571 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2)C(F)(F)F 1839880927 GSLDRNJYKWGSHS-BLLLJJGKSA-N 407.389 0.086 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006982 HOGCLPWZQXNLPL-QGFHRSQPSA-N 420.506 0.998 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1840161432 OUYKPKWFQUXJEE-ORAYPTAESA-N 404.492 0.951 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269225 UXFMTPOEEPDJNZ-WOCWXWTJSA-N 414.568 0.948 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1840295585 WIWHQBSIIWEMHE-UWJYYQICSA-N 405.495 0.163 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840614535 OGGAJTDCNORXSR-LAUBAEHRSA-N 408.495 0.440 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840614537 OGGAJTDCNORXSR-UWJYYQICSA-N 408.495 0.440 30 20 HCED CC(C)N(CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C(=O)OC(C)(C)C 1841120401 DHGJUMNSIPTJAM-UHFFFAOYSA-N 407.467 0.923 30 20 HCED O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844258339 PXVJUXLOZMBCJS-KEBDBYFISA-N 403.443 0.466 30 20 HCED COc1nn(C)cc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299669 JXTZMCCELXJXEP-OVEPSTSESA-N 405.455 0.775 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2ccccn2)C1 1845769037 MTAZCBQFHIFXEJ-JKSUJKDBSA-N 400.479 0.994 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(CS(C)(=O)=O)nc1 1847347099 UMUOIZJJPLWNKR-HOTGVXAUSA-N 404.492 0.991 30 20 HCED C[C@H]1CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 15544814 LTDOXGDTPSJGFV-IYBDPMFKSA-N 406.508 0.500 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1=O 42185378 YTZVDUIJZHUNPO-IEBWSBKVSA-N 413.474 0.999 30 20 HCED C=CCN(C(=O)c1cccc(S(=O)(=O)NCCOC)c1)[C@H]1CCS(=O)(=O)C1 57238573 SVPONLPXNUMPMW-HNNXBMFYSA-N 416.521 0.427 30 20 HCED CCN1CCC[C@@H]1CN/C(N)=N/Cc1ccccc1S(=O)(=O)N1CCN(C)CC1 304765511 ZIJXFPKOGHXPKN-GOSISDBHSA-N 422.599 0.511 30 20 HCED COC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)N1CCO[C@@H](C#N)C1 409482070 DYVYIXMVIOOOSX-XJKSGUPXSA-N 410.427 0.450 30 20 HCED COc1cc([C@H](C#N)NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 434115149 ISSBFAQJWYFFBN-KGLIPLIRSA-N 411.480 0.512 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 437053206 AYWQYTSKMQWWGX-RDTXWAMCSA-N 403.483 0.978 30 20 HCED CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 439607976 SLFKOLNCKDANAU-UHFFFAOYSA-N 414.466 0.749 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cn1 440093456 ADFFTYFAOJOASP-STQMWFEESA-N 408.340 0.992 30 20 HCED CCCc1c(NC(=O)C(=O)NCCNS(C)(=O)=O)cnn1-c1cccc(C#N)c1 443729154 CXNYZOXAAWXZOL-UHFFFAOYSA-N 418.479 0.300 30 20 HCED CC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446532705 UYQKKUMSMXTEID-UHFFFAOYSA-N 401.467 0.966 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1C 461744331 GGVMOJHQTLUYGF-UHFFFAOYSA-N 414.451 0.488 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)c3C#N)CC2)cc1 463793290 JBQWYCNRFZSNED-UHFFFAOYSA-N 414.447 0.168 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(c4cccs4)CC3)n2)cc1 466695852 OTTLCZBUSAYKCS-UHFFFAOYSA-N 421.486 1.547 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 468030308 ORGAOELQXSJNCU-UHFFFAOYSA-N 406.420 0.211 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2ncnn2C)cc1 475422673 PEGNCVPXSIZMTI-GFCCVEGCSA-N 406.468 0.438 30 20 HCED CCn1cc(CN(CCO)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 477397667 DIIFDSVBIOPMTH-AWEZNQCLSA-N 405.480 0.463 30 20 HCED Cn1c(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c(C#N)c(=O)n(C)c1=O 480857515 YKSMLKSXPYJQTK-UHFFFAOYSA-N 419.441 0.778 30 20 HCED CCN(C)C(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(C#N)s2)c1=O 484439821 ZNEHMEHBXNYMSO-UHFFFAOYSA-N 401.513 0.910 30 20 HCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC(C#N)CC1 490442692 HXVGECGBFGNKCW-UHFFFAOYSA-N 400.435 0.868 30 20 HCED CC(C)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1nc(-c2nc[nH]n2)no1 494678049 AXQCFVWDVPBHQP-ZBFHGGJFSA-N 415.502 0.834 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 500356583 IWTCHEDDNAHWQC-UHFFFAOYSA-N 423.477 0.100 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)CSCC(=O)N3CCOCC3)C2=O)cc1 508115818 DJPVWPNOWLAIBF-KRWDZBQOSA-N 416.503 0.762 30 20 HCED N#CC1(F)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 510935443 MUPGODKFHMRXRB-UHFFFAOYSA-N 424.498 0.651 30 20 HCED CN(C)CCN1CCC(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 511040095 LHADEYRNOIUBEU-UHFFFAOYSA-N 421.567 0.569 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](NC(=O)NC4CC4)C3)CC2)o1 514435971 CRWJZDICEMPCGX-HNNXBMFYSA-N 401.471 0.039 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)CCC(C)C)C1=O 519131253 GUWPCDWUBDYPLO-UONOGXRCSA-N 424.523 0.806 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)C(=O)N[C@H](C)CC)cc1 521021282 KDYQXGTYRZRWIS-ZIAGYGMSSA-N 424.523 0.851 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(OCCO)c(OC)c2)C1=O 534711901 SOYHXDZAISOFLC-GFCCVEGCSA-N 405.407 0.220 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 537446286 RTYZKZOKQIENGJ-QGZVFWFLSA-N 414.462 0.212 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 541365542 WKALJCGOJAYPEM-MRXNPFEDSA-N 424.461 0.772 30 20 HCED CS(=O)(=O)CCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542072236 IJIXYLWBMHHUKO-UHFFFAOYSA-N 409.855 0.887 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 549751724 HENVLMNCTCATBD-ZBFHGGJFSA-N 400.435 0.792 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 550598227 HEQXWSLOYLLVHF-OAHLLOKOSA-N 424.417 0.329 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)C1=O 552470840 DKMJXOALISXIQU-GFCCVEGCSA-N 407.448 0.634 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NC[C@@H]1CS(=O)(=O)CCO1 553539357 VSKPNRCCZHAAHT-SECBINFHSA-N 409.283 0.413 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCCN(Cc3ccc(C#N)cc3)CC1)CC2 557503715 SHIHHYCKNKYLJF-IBGZPJMESA-N 421.505 0.624 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 559857992 NFZSMLIUKCFMDB-UHFFFAOYSA-N 412.494 0.565 30 20 HCED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 574181108 SPZPMCZCQNKFRF-NVXWUHKLSA-N 406.508 0.500 30 20 HCED COc1cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccn1 574468363 HHROKDJEGJPBMS-QGZVFWFLSA-N 407.430 0.495 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)n(-c2ccc(C#N)cc2)n1 585760498 WNTKPJPIIJLLDA-CVEARBPZSA-N 411.462 0.934 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)C1 588640429 XCVRCYMPLUOKCW-PJSUUKDQSA-N 400.410 0.486 30 20 HCED COCCN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1 604500715 MADDWQKWXGANIQ-INIZCTEOSA-N 408.480 0.020 30 20 HCED Cc1ccnc(NC(=O)CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 609040450 MFVBWAMJNQTYCD-UHFFFAOYSA-N 411.466 0.777 30 20 HCED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 611224187 DFMIYTKEZZCQOK-CQSZACIVSA-N 423.429 0.736 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 670741542 WDJBAQGYHAMTRT-UHFFFAOYSA-N 408.524 0.119 30 20 HCED C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 728795196 VRUANXGVOIDPJB-NRFANRHFSA-N 405.414 0.741 30 20 HCED CCCNC(=O)Nc1ccc(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908472 MARLBOBOJDJUFB-INIZCTEOSA-N 420.491 0.726 30 20 HCED N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1 733669937 NILUYAFDMXUKPL-KRWDZBQOSA-N 405.414 0.949 30 20 HCED C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734572621 FDYVGANGTLXWAD-PXAZEXFGSA-N 417.443 0.601 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OCCC)cc2)CC1 735921497 LURONOALEYFWFR-UHFFFAOYSA-N 421.519 0.699 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(CCc4ccccc4)nnc3C2)C1=O 744599986 IVHKLSMENGOUBH-UHFFFAOYSA-N 422.445 0.382 30 20 HCED Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)O[C@@H](C)C(=O)N(C)CCC#N 745736524 PDNVOCHTTMFFAU-HNNXBMFYSA-N 404.467 0.907 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)c1 746558920 BOCKHJOANZUNFG-UHFFFAOYSA-N 411.439 0.943 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cnn(CC#N)c3)c2)CC1 747438115 QRQLGTXYXMLRDE-UHFFFAOYSA-N 416.463 0.512 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 747823998 ZLNRZWTXJHBHNF-UHFFFAOYSA-N 406.508 0.337 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)NCC3CCN(CC#N)CC3)cnc21 748336843 YIURIYSKFNGDJJ-UHFFFAOYSA-N 422.287 0.244 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750368150 XXHPJEQIIGFYGQ-LHSJRXKWSA-N 414.462 0.917 30 20 HCED CCO[C@H](CCN(C)C)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753646633 FZTGLCMSOZSFIO-LSDHHAIUSA-N 410.540 0.977 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)ccc2c1=O 753673480 JVNYTHBHMANDEY-LBPRGKRZSA-N 422.532 0.883 30 20 HCED NC(=O)c1ccc(NN=C2C(=O)Nc3c(I)cccc32)nn1 756844477 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HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 780063470 NQTMWXMFKSTQAQ-WBVHZDCISA-N 413.478 0.681 30 20 HCED C#CCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 781970838 SCCIRRHPXFLFCA-WBVHZDCISA-N 411.911 0.241 30 20 HCED C[C@@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCC1 789114739 PLSQFFLESKWQFP-PXAZEXFGSA-N 406.439 0.096 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)n1 789794683 HOPIVIDMYDDPFQ-GOSISDBHSA-N 410.430 0.832 30 20 HCED CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NCCC#N 795065709 XPZBEEVGIRFHKV-UHFFFAOYSA-N 410.496 0.936 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 795327080 JBAQWHMUWPDJBX-UHFFFAOYSA-N 412.427 0.568 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCCC3)c2C1 797246095 WSCYFFAMGCLIRZ-AWEZNQCLSA-N 407.496 0.725 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H](C)C(=O)NCCF)C1=O 799863307 BKUBWCNLIYWBBF-HZMBPMFUSA-N 424.454 0.957 30 20 HCED 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C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2cc(CO)on2)[C@H]1c1cccnc1 1803549763 FOTDSPPHQFISOJ-OGWOLHLISA-N 412.446 0.920 30 20 HCED CN(C)C(=O)C(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1806944008 NDDVITOVTZADJF-YDSPRUDNSA-N 414.510 0.647 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)CCOCCOCCOC)[C@H]1c1cccnc1 1812933212 KLAIABPLPAMMRB-WIYYLYMNSA-N 403.479 0.790 30 20 HCED C=CCC(=O)NC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)CC)[C@@H]1c1cccnc1 1813054366 LGCWQYWYWAGHBJ-QILLFSRXSA-N 408.524 0.991 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1c1cc(NC(=O)COCCOC)n[nH]1 1817045888 UUQBQSZBFVTEBL-PTZVLDCSSA-N 419.482 0.923 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H](N)C(N)=O)CC2 1819710356 QRZSHQLKJXRYPO-MJVIPROJSA-N 423.539 0.221 30 20 HCED O=C(O)C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(O)nc(O)c1)CC2 1825665313 CYPAWKLBOYWFTG-SECBINFHSA-N 402.388 0.263 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)C1 1829668546 VAEXSOOECDYKDZ-OAQYLSRUSA-N 411.462 0.766 30 20 HCED 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N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3c[nH]c4ncccc34)C2)C1 1834767515 JZXMYXLNWCPZNH-NRFANRHFSA-N 411.462 0.866 30 20 HCED Cn1cc(CCC(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1834821523 PJXLUEPMKSBTFB-UHFFFAOYSA-N 415.494 0.012 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835249813 DVYIMVOPZILOPE-LJQANCHMSA-N 416.540 0.480 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1836062329 KYQATVKEDROMTL-JXFKEZNVSA-N 421.498 0.220 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)n1ccccc1=O 1837683793 IWMZRTFQSQULRA-IIBYNOLFSA-N 414.462 0.169 30 20 HCED COc1cc(OC)c(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1 1838550803 VYGJGXYFCGFMLM-HXUWFJFHSA-N 421.425 0.827 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1ccnc1 1838732953 GPKCDXVYFQSEBB-FOIQADDNSA-N 412.450 0.414 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1838741292 JFQZFVWCGWUZCY-GOSISDBHSA-N 410.536 0.976 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4[C@H]5COC[C@H]54)C3)C2)c1 1838908584 IMOYUTWMPOSHOZ-JYLXEMOASA-N 411.458 0.521 30 20 HCED C[C@]1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)CCCN1 1839122119 RQWUXXZJALBZPU-YADHBBJMSA-N 412.490 0.770 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3noc(C)n3)C2)C1 1839223080 LDDCJPCHILNRBP-KUHUBIRLSA-N 423.470 0.178 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3c(F)cccc3n1)CCO2 1839554343 CPQZLMTVPAKWAH-LJQANCHMSA-N 401.398 0.457 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C34CCC(C(=O)OC)(CC3)CC4)C2)C1 1839808734 YUCAISXIHHPAEC-HRTMPFAESA-N 418.490 0.590 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)c(C(=O)O)c(C)c3)C2)C1 1839809571 YYCSAGIOBRCCAA-NRFANRHFSA-N 400.431 0.705 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 1839809626 CQVQSAKMDIOECY-HXUWFJFHSA-N 403.410 0.244 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1)C(F)(F)F 1839891532 KJFDZEYCRBTRPJ-INIZCTEOSA-N 416.356 0.371 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CNC(=O)OC(C)(C)C)CCO2 1839989331 XANREVRWPIPUEI-OAQYLSRUSA-N 423.510 0.771 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840061912 BYCSHQRJTQAHEV-UWJYYQICSA-N 419.478 0.430 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC34CCCN3CCC4)C2)C1 1840162770 HDMLJPZWBODUCT-JXFKEZNVSA-N 411.568 0.780 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1840165658 FXSUXYCVDBBJSA-ORAYPTAESA-N 407.492 0.174 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561662 WBIYQOGOLZCQSE-MFBSEBAMSA-N 423.466 0.276 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)o1 1840812899 RJXUHMRHLJIFSU-IBGZPJMESA-N 403.439 0.071 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841540584 YFQUGBFZQVGRQA-IRXDYDNUSA-N 417.506 0.974 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)cc1 1841957894 LRMYVWWQRDYKOV-INIZCTEOSA-N 409.446 0.292 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC2(CCCN2C(=O)CCC#N)C1 1842813049 ZSIWHJNXKIWELH-GJZGRUSLSA-N 406.483 0.864 30 20 HCED C[Si](C)(C)C#CCOC(=O)CCC(=O)OCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1848350173 XXEYJCKMAAVOAO-KNCCTNLNSA-N 419.506 0.672 30 20 HCED C#CCOCCOCCOCCOCCNC(=O)CONC(=O)OC(C)(C)C 1857792204 XDRDVAXJEVQKKC-UHFFFAOYSA-N 404.460 0.259 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(N3CCCC3)cc2)c1=O 7184827 BABMOHSMWNEONW-UHFFFAOYSA-N 411.462 0.783 30 20 HCED CN(CC(=O)N1CCN(Cc2ccccn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 32823272 JKDZDXJPTIJZFN-UHFFFAOYSA-N 413.503 0.918 30 20 HCED C=CCc1ccc(OC[C@H](O)CN2CCN(C(=O)C(=O)NC(C)C)CC2)c(OC)c1 53435067 JRDMPCLJVHNVOS-GOSISDBHSA-N 419.522 0.832 30 20 HCED Cn1c(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c(=O)n(C)c1=O 60874633 KENDQPKLLSLBKM-UHFFFAOYSA-N 417.491 0.468 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)c1 430486047 RDFCRUVPWRBLER-MSOLQXFVSA-N 424.505 0.509 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434927803 UHAXGSCXRVIXIZ-UHFFFAOYSA-N 402.499 0.722 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 435444442 XJFMWVZRCPIENJ-UHFFFAOYSA-N 416.462 0.785 30 20 HCED C=CCOC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)OC 435941875 LMFQDUOAEWEWTO-HUUCEWRRSA-N 404.419 0.880 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC(=O)N2CCOCC2)cc1 437158714 ACCOBZBDNQWXAL-UHFFFAOYSA-N 403.439 0.250 30 20 HCED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(OC(C)C)c(C#N)c3)C2)nn1 442478393 MDYCLBBPZFQWSD-UHFFFAOYSA-N 412.406 0.746 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)C(C)C)C1=O 442777854 FARCZFZJPPIYRC-SOUVJXGZSA-N 410.515 0.944 30 20 HCED COCCn1ccc(NC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 444503854 XEHBYCBXCBGQNW-UHFFFAOYSA-N 400.414 0.828 30 20 HCED N#CCN1CCC(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 461695890 IKQZTKICGBHCSJ-UHFFFAOYSA-N 412.537 0.734 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 470477707 PEMLZXMWZRXYCE-MRXNPFEDSA-N 423.514 0.360 30 20 HCED C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 475287150 TZHFBUZSQQLOBW-UHFFFAOYSA-N 422.551 0.910 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2n1CCCCC2 480428486 QMCYACDNGOGZHK-ZDUSSCGKSA-N 402.480 0.859 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1c1ccccc1 481237556 YACQHXGEEGCSKZ-KBXCAEBGSA-N 412.471 0.925 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 486949869 JSLGIZJEHYGUTC-UHFFFAOYSA-N 417.491 0.988 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 487750326 FDBNTJZLLQFCHG-MRXNPFEDSA-N 403.545 0.746 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCO[C@@H](C#N)C2)cc1 517315653 BQQHGFAYAULIPZ-HNNXBMFYSA-N 408.480 0.198 30 20 HCED Cn1nccc1[C@H]1[C@H](NS(=O)(=O)c2cncc(C#N)c2)CCC(=O)N1C1CC1 517384477 BRWBMWAUCKDHHD-CRAIPNDOSA-N 400.464 0.860 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 517764122 YTKARLVCEPXKCW-UHFFFAOYSA-N 406.446 0.877 30 20 HCED COCCNC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 522278513 CVCJAKMNRJAKCX-QGZVFWFLSA-N 419.501 0.841 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 527323233 ZTSVTUDIMPGVFP-UHFFFAOYSA-N 407.854 0.916 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)CC2)o1 530288267 DWHDZOMQEZCRNR-SFHVURJKSA-N 414.510 0.836 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CC(N)=O 532165006 DYGJZMUTORGZNF-UHFFFAOYSA-N 419.528 0.974 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 545341786 UEQPSWKWGKWFOW-OAHLLOKOSA-N 410.448 0.667 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 546904231 OQQQISYQJIIHOM-ZDUSSCGKSA-N 412.406 0.747 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 551549834 RSYDZRDQHOZATG-IBGZPJMESA-N 419.551 0.885 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 552504251 PEDFOBNBUMRHNE-IRXDYDNUSA-N 410.584 0.861 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)n1 555320809 VZLVALJMNYRPFH-UHFFFAOYSA-N 404.434 1.507 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 569292377 LXVNWSZKZQAUMH-MUUNZHRXSA-N 406.483 0.763 30 20 HCED CN1C(=O)COc2cc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)ccc21 579173013 YHAPHJMWNYXJFQ-UHFFFAOYSA-N 400.416 0.830 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)c1 580593824 NKDKDLDEYHSSLN-UHFFFAOYSA-N 420.477 0.177 30 20 HCED CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589069440 SVMJRVUPMLKJPZ-KBPBESRZSA-N 414.466 0.103 30 20 HCED Cn1cc([C@H](CNC(=O)c2cccc(C#N)n2)NC(=O)c2cccc(C#N)n2)cn1 589460956 IJNKFVSAJUCXCG-SFHVURJKSA-N 400.402 0.855 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 608780661 OMLPVXUHBTUDFL-OAHLLOKOSA-N 423.495 0.818 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 609128714 BCAUWDPVJDSMJF-SFHVURJKSA-N 401.442 0.473 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)n1 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XREJFEBFRPSBLJ-UHFFFAOYSA-N 419.595 0.455 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncn(C)n3)CCO2)C1 1833881251 NIBCPMHJRQSHMJ-FQEVSTJZSA-N 405.499 0.878 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnn(C)c3C)CC2)CC1 1834279753 ZORKATSQDBXXCT-KRWDZBQOSA-N 415.538 0.952 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)CC1CC1)CCO2 1835220389 VBWPBYRHDYDEKJ-NTUGGBQKSA-N 409.483 0.772 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)CC1 1835354890 JIDKUYZRNCDXLE-CBGDNZLLSA-N 421.494 0.726 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cncn4)CCO3)C2)cc1 1836139905 VOLQOUPJOGHDER-OAQYLSRUSA-N 424.461 0.114 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1837077579 HARSSHAOCPNONK-UHFFFAOYSA-N 418.494 0.340 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837395373 YNXIOANYCWOMIC-OXJNMPFZSA-N 404.467 0.120 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)c1 1837561469 NAVMIGATNSJOND-JFOGYLRVSA-N 415.450 0.202 30 20 HCED CC(C)(O)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362195 CNTFPHALOHOYOW-QFIPXVFZSA-N 415.490 0.984 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)ccc4O)CCO3)C2)CCC1 1839449454 JZMNBIZTWBNYQX-OAQYLSRUSA-N 415.446 0.862 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839682768 GOEBMCDEBNBSML-KUHUBIRLSA-N 409.439 0.308 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1840165222 QGBJYFLGAYAXGD-JOCHJYFZSA-N 405.539 0.978 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840343711 UZQUAHHRPNWFKY-RELCYYESSA-N 419.482 0.680 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1840842255 XZSUZTHNXFTHJH-NRFANRHFSA-N 411.462 0.521 30 20 HCED O=C1NC(=O)[C@H](CC(=O)N2CC3(CCCN3C(=O)C#Cc3ccc(Cl)cc3)C2)N1 1841261941 WFZODCXJJVYRDZ-HNNXBMFYSA-N 414.849 0.493 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(OC)OC)C1 1841488857 PYZNPXJYJHNUFC-CQSZACIVSA-N 409.483 0.725 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1844235446 CTPAORIRMKOPGJ-INIZCTEOSA-N 402.495 0.911 30 20 HCED CC(=O)N[C@@](C)(C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)c1ccccc1F 1845262910 WKNUTRFSCWAUSM-HXUWFJFHSA-N 415.421 0.468 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1n[nH]c2c1CS(=O)(=O)C2 1847828201 BLDHOVGJHATIOK-KCQAQPDRSA-N 412.537 0.608 30 20 HCED C=CCNC(=O)c1ccccc1NC(=C1C(=O)NC(=S)NC1=O)[C@H](F)C(=O)OC 9771151 XXFRYUUTZVJYRK-LBPRGKRZSA-N 420.422 0.310 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)cc1 24677794 HKHGPGCYVMHPQX-OAHLLOKOSA-N 415.537 0.695 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 24978518 JASVJNNFZAPEDR-UHFFFAOYSA-N 403.416 0.904 30 20 HCED Cc1cc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)on1 29710791 VDTGQRIUWCSSGE-UHFFFAOYSA-N 413.482 0.618 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 50146938 XFACRVKVDSOBTI-UHFFFAOYSA-N 413.434 0.876 30 20 HCED COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)N3CCO[C@@H](C#N)C3)C2=O)c1 410152986 FZRYHTKUJUFBNP-IRXDYDNUSA-N 424.479 0.210 30 20 HCED COCCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]1 434999446 LKWCDACABXSUPF-UHFFFAOYSA-N 413.825 0.661 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](CO)c3ccc(F)cc3)n2)cc1 440896003 QGPSHEQKSRJTTQ-KRWDZBQOSA-N 408.393 1.125 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)COCC(F)(F)F 460607791 IIYHRDXEPATNRZ-NSHDSACASA-N 410.356 1.470 30 20 HCED Cc1nc(CN2CCN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n[nH]1 462012497 IONGEDQVMRTLHF-UHFFFAOYSA-N 406.454 1.224 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1C 465494276 VCKFWVKAIFXOIB-GFCCVEGCSA-N 404.452 0.373 30 20 HCED C=CCCOCCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 468127199 RRMPZYLIOHXATR-UHFFFAOYSA-N 411.480 0.723 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 470329952 FRCANXUDKQUYMY-ZBFHGGJFSA-N 416.507 0.744 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H](C)N3C(=O)NC4(CCCC4)C3=O)CC2)c1C#N 472249011 GZVWZOSZWOUALT-CQSZACIVSA-N 413.482 0.502 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)c1C#N 472871029 NPLAKSHXXGQSFH-UHFFFAOYSA-N 409.454 0.306 30 20 HCED COc1nc(N2CCN(C(=O)c3cnn(C)c3C#N)CC2)ncc1Br 476229315 AWTADIVFESYIFY-UHFFFAOYSA-N 406.244 0.815 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 476298423 GJODKVFXERYUNI-CQSZACIVSA-N 421.523 0.877 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCOCCS(N)(=O)=O)n1 480319965 PGSTWDMYJGUZMF-UHFFFAOYSA-N 412.859 0.824 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN2CCOCC2)CC1 480521734 DHNANVASYWSXDZ-MRXNPFEDSA-N 420.535 0.796 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)n1 481275716 NMKYECPANLRERU-LBPRGKRZSA-N 407.427 0.896 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C#N)s3)c(=O)n2C)CC1 482548614 MPYDIFUWUJGXJN-UHFFFAOYSA-N 413.528 0.047 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)C1=O 487579267 YUORHYXZIHYURN-UHFFFAOYSA-N 407.448 0.925 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 498421052 DWLHFVKIYJGLQM-MRXNPFEDSA-N 421.567 0.800 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)c1 503332283 OEWDUMFIKWTYRQ-UHFFFAOYSA-N 406.402 0.571 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NCC2(OCCO)CCOCC2)cc1C#N 506713478 BRKBTOSYQCPYFS-UHFFFAOYSA-N 405.451 0.958 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1(S(C)(=O)=O)CC1 508005580 MBHLLBBQXWMIIF-NSHDSACASA-N 419.438 0.903 30 20 HCED C=CCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508725465 ZOTSERAPPVZEPF-CYBMUJFWSA-N 400.414 0.329 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 508942097 OLGAFFMUFUVWMS-UHFFFAOYSA-N 414.809 0.682 30 20 HCED Cc1ncc(S(=O)(=O)N[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)O)cc1C#N 515009366 DZIXBWNFKCKLPY-KRWDZBQOSA-N 412.431 0.817 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 515560331 JRIKRYFVDWZQKR-CQSZACIVSA-N 422.507 0.957 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 536606514 OUDVBCJKRQRABL-NSHDSACASA-N 416.406 0.638 30 20 HCED C=CC[C@@H](CO)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 538212749 VMYLDFJDGOGRDE-SJORKVTESA-N 404.515 0.766 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 543671766 YCLPGTZYQAXNJU-UHFFFAOYSA-N 416.415 0.786 30 20 HCED CN1CCN(C)[C@H](c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)C1 546496465 TWNYWPWPLRPEKG-CVEARBPZSA-N 409.450 0.917 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccnc3N(C)C)CC2)c1C#N 550670090 OMUUUBCZNYITJV-UHFFFAOYSA-N 410.482 0.026 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 554308893 IQPMZYUSHWIABP-QGZVFWFLSA-N 421.519 0.894 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3cccc(C(N)=O)c3)C2=O)cc1 556157655 WOSGQIYEOJGOMZ-GOSISDBHSA-N 419.441 0.585 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(C)cc2)CC1 556214637 KQIOOQGVGKJCGC-KRWDZBQOSA-N 402.495 0.325 30 20 HCED CN(CC(=O)N[C@H]1CCO[C@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 557191401 PGEDWJYQSRQBCC-WMZOPIPTSA-N 417.491 0.949 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)C2 559588811 HXBZQAGVIFFVHE-UXHICEINSA-N 418.501 0.995 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCn2cc(C(=O)O)nn2)cc1Br 562417648 ZFPBWIGHEJGOOA-UHFFFAOYSA-N 400.214 0.589 30 20 HCED CC[C@@](C)(NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(=O)OC 564204156 LMNYEFIHMWUCTR-LJQANCHMSA-N 422.507 0.322 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2ccc(F)cc2)cc1 571250024 SZNKJYILKSPAQH-OAHLLOKOSA-N 407.423 0.532 30 20 HCED CCCN(CC(C)(C)O)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 571784470 PUYLJMKHJOEDSG-QGZVFWFLSA-N 400.479 0.785 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnn4)cc3)CC2)n1 581697456 KZGQQZAOAXJLFJ-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCSC1 585723077 XFYLPGWZXZVEIU-FQEVSTJZSA-N 416.551 0.592 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NCCOC)c2)c1 607701179 CXKBKTSFADIVIB-UHFFFAOYSA-N 421.479 0.362 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(C)(C)N1CCN(C)CC1 610697062 YSHCVHDWTBBNBN-MRXNPFEDSA-N 400.531 0.594 30 20 HCED CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)O1 611374834 WUMLDSSJPXPFPF-GDBMZVCRSA-N 416.482 0.891 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)CN2CCC[C@@](C)(C#N)C2)c(O)nc1=O 612165551 MIRZTFGYIWGRGG-FQEVSTJZSA-N 420.514 0.936 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ncccc2F)n1 615050237 UDYFFEVQGQXGNC-UHFFFAOYSA-N 415.429 0.419 30 20 HCED CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727008985 YWVXALYOXSQLDT-MRXNPFEDSA-N 401.419 0.775 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2C)CC1 728531162 AUEJCLNXZCPDJS-UHFFFAOYSA-N 401.417 0.966 30 20 HCED COc1cccc([C@H](C#N)NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1OC 729430356 WHUTYKAXFABYNQ-AWEZNQCLSA-N 409.402 0.644 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(F)c2F)c1=O 730803099 MGKISAWUPNGPBI-UHFFFAOYSA-N 419.453 0.960 30 20 HCED COC(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737242127 GXDSDBLUBILYFW-RCCKNPSSSA-N 424.479 0.507 30 20 HCED COC(=O)CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 742956067 KZONZGCIOCEEKB-CYBMUJFWSA-N 423.491 0.684 30 20 HCED C=CCOC(=O)c1sc(NC(=O)CN2C[C@H](O)[C@H](O)C2)c(C(=O)OCC)c1C 748039103 KDAXSGRJWXGRFE-TXEJJXNPSA-N 412.464 0.552 30 20 HCED Cc1ccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)cc1S(=O)(=O)NCC#N 756944550 LOSZALMAHZBOMZ-CQSZACIVSA-N 417.534 0.357 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(N)=O 757896561 GSMUJQXOZMIUFA-GFCCVEGCSA-N 424.479 0.928 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 757899526 UWOIQLNZZCXIFR-GFCCVEGCSA-N 413.456 0.190 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2OC)CC1 761029954 VKDZHTJHXNFZOT-CVEARBPZSA-N 408.524 0.346 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)Cc1cccnc1 763080843 RVECUGPTSXUFNV-UHFFFAOYSA-N 402.476 0.921 30 20 HCED Cn1cnc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 768415442 BMZBTXQORMAFEB-APFMSCDFSA-N 413.507 0.922 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](N2CCCCC2=O)C1)c1cc[nH]n1 772265205 FIFUIKXOUGVWLB-CQSZACIVSA-N 405.455 0.697 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 772342714 XCMOYYGVMSGMDR-CYBMUJFWSA-N 410.427 0.263 30 20 HCED COCCOc1ccc(-n2nc(C)c(C(=O)NS(=O)(=O)CCCC#N)n2)cc1 776122857 UJYDNOKPTUUSOG-UHFFFAOYSA-N 407.452 0.964 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 780592307 IHBUBYRJDRXZDT-UHFFFAOYSA-N 416.279 0.900 30 20 HCED COc1cc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)ccc1OCC(N)=O 781599478 RXISUAFKYKEOLO-UHFFFAOYSA-N 407.379 0.689 30 20 HCED CCN(CC)S(=O)(=O)CC(=O)[C@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 784833362 IRXSNBWNEDVFHM-HNNXBMFYSA-N 408.480 0.707 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cccc(OCC#N)c1 785285772 NNOUOACNOHCTBJ-FPCVCCKLSA-N 415.402 0.479 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(-c2ccsc2)nn1C)[C@H]1CCS(=O)(=O)C1 787560973 SUWOIBRRBIQLHE-ZDUSSCGKSA-N 406.489 0.736 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1 787756484 ZRQXSVGGERZNHL-UHFFFAOYSA-N 406.446 0.466 30 20 HCED C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccc(C#N)nc2)CC1 791051849 JNJVRXBZTWYIPE-CQSZACIVSA-N 414.491 0.750 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)c1C#N 793446276 DTUYAABUHXLULA-HOTGVXAUSA-N 412.475 0.943 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnc(C)s2)c1=O 794580341 BHDQMNWURUJJOC-CYBMUJFWSA-N 419.528 0.820 30 20 HCED C#CCC[C@H](O)CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 799078746 KHXPVVUUEMLFNH-INIZCTEOSA-N 409.508 0.337 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)C(F)(F)F 804959521 DFCQEDWWAQXTFH-LLVKDONJSA-N 408.406 0.487 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)CC1 806695522 SZTLXPZZVYUMJT-QGZVFWFLSA-N 413.478 0.794 30 20 HCED NS(=O)(=O)c1cc(C=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F 807975321 OQUVXINPKBIZAV-UHFFFAOYSA-N 402.385 0.694 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1)[C@@H]1CCCO1 809308887 BSSAWMXVEHREKN-OALUTQOASA-N 413.474 0.206 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 810984194 VDTAPJIVHGDXMM-UHFFFAOYSA-N 407.496 0.460 30 20 HCED C#CCn1ccc(CN(CCOC)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC)n1 812032276 HZBUGURODRIUIF-CQSZACIVSA-N 409.516 0.391 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1Cc2ccccc2C1=O 816128467 LHYREFXBFJQHSA-UHFFFAOYSA-N 400.372 0.927 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)C1 822081095 UNGFZEGPWAXHSL-OCCSQVGLSA-N 413.521 0.587 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917134760 UTRXLTOMWLIXTN-ZDUSSCGKSA-N 405.480 0.153 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 917780380 FPBGKJVRSRWWCM-UHFFFAOYSA-N 417.535 0.537 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)CCN2CCCS2(=O)=O)cc1OC 918485956 AQAOKPKSBKSACS-HNNXBMFYSA-N 423.491 0.497 30 20 HCED CC#CCN1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1070374916 DNYFSUZAGINWLL-GCGJSEPQSA-N 403.523 0.537 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccc(F)cc1 1137537047 GBSSZPZPKKFHSI-CYBMUJFWSA-N 418.454 0.503 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1296167800 NYGWPXJEOVDMMI-CHWSQXEVSA-N 410.471 0.843 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(NC3CCOCC3)CC2)cc1 1302917718 ZFEBEAMEYWGTOI-UHFFFAOYSA-N 406.508 0.596 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CO)(NCC2CC2)CC1 1306867356 MCMJERMNTCSPDU-HNNXBMFYSA-N 420.535 0.578 30 20 HCED N#Cc1cc(S(=O)(=O)NC[C@]2(O)CCS(=O)(=O)C2)ccc1Br 1463723924 PNYPYVLSXFKDAH-GFCCVEGCSA-N 409.283 0.149 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1507855958 VXJKDCZMKZNWKE-AVGNSLFASA-N 407.924 0.881 30 20 HCED C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1511978838 QFSQCSLNEFROQR-CQSZACIVSA-N 421.465 0.572 30 20 HCED C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)s1 1585884460 NDFCQDVMCPFDJV-NXEZZACHSA-N 402.929 0.884 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H](CS(N)(=O)=O)C3)C2=O)cc1 1671576507 LWOZFUCQNNSKCW-GDBMZVCRSA-N 405.480 0.374 30 20 HCED CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1711340068 LYRQEZRCKBPWMS-UTKZUKDTSA-N 410.478 0.931 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC[C@@H]1C 1730763775 ZQGVZBBXTYWLGP-JKSUJKDBSA-N 405.503 0.316 30 20 HCED C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740743535 YSDRNQOQKZYQTJ-MNOVXSKESA-N 418.317 0.761 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740811048 LHEFKDXTUJOGHG-NWDGAFQWSA-N 401.876 0.574 30 20 HCED CCN(CC)C(=O)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1746039134 OQGMEIPWHXBJTD-LSDHHAIUSA-N 403.487 0.607 30 20 HCED COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1769530338 ZNRBZQUNYMHYAD-UONOGXRCSA-N 414.532 0.774 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC(F)(F)C(=O)O)C1 1778009630 HTKQOJDDBMUYSX-PMUMKWKESA-N 416.421 0.649 30 20 HCED Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779062116 DWHVUQAFZYOWAL-NRFANRHFSA-N 400.479 0.562 30 20 HCED C[C@@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)n1ccccc1=O 1779533531 YXTDVHRENMJKQH-GCKMJXCFSA-N 415.446 0.011 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@H](COC)NC(C)=O)C2)C1 1779553979 UGKMSXYEKZNXPR-WAOWUJCRSA-N 407.511 0.618 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](CC)NC(C)=O)CCO2 1781263890 IRYWBUSDLVTEDI-UZLBHIALSA-N 409.483 0.240 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1781263923 JPWQJOABGKNPRN-FQEVSTJZSA-N 404.467 0.681 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)Cn3cncn3)CCO2)C1 1781396088 HKVNXDHQTNTEQZ-GPMSIDNRSA-N 406.487 0.545 30 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C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1cnn(CC(=O)OC)c1 479144341 OEVVKWHLFBGWIO-UHFFFAOYSA-N 400.438 0.681 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1 479665296 WYGQKLNWNHQGIA-UHFFFAOYSA-N 401.492 0.931 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](c2nncn2C)C1 480798671 LNROWOYKSRSMIU-ZFWWWQNUSA-N 402.480 0.760 30 20 HCED C=CCOC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 481772424 CJAKNUCAEAMFMI-MRXNPFEDSA-N 412.464 0.182 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnc(C(=O)N(C)C)c1 482225980 VCLRSEXUWPIRMZ-GFCCVEGCSA-N 401.448 0.961 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482810213 PFOZPGKFHGXUCX-JSGCOSHPSA-N 418.479 0.094 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(S(N)(=O)=O)s3)C2=O)cc1 490248002 KWKBIZGKOOENGV-ZDUSSCGKSA-N 404.473 0.798 30 20 HCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCO[C@@H](C(N)=O)C1)CCCC2 497626226 KESKVLLZRKXRSE-RDTXWAMCSA-N 415.494 0.542 30 20 HCED COc1cc(C#N)ccc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 501225962 HTYOIMLCCPZPOF-UHFFFAOYSA-N 404.448 0.765 30 20 HCED COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)N(C)CCC#N)cc1 502411685 YQNMCUWOEQMFDM-HNNXBMFYSA-N 401.510 0.775 30 20 HCED C=CCOc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC 502715289 IOIZOMJFIKIGRN-HOTGVXAUSA-N 410.492 0.488 30 20 HCED COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505502097 BQNKGTLYZQCOQN-XHSDSOJGSA-N 414.418 0.552 30 20 HCED N#Cc1ccccc1CSCCNC(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 505668946 BVYFLRBVKSWSCX-INIZCTEOSA-N 424.548 0.784 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 507525168 CPSCKCLRRCJNHN-UHFFFAOYSA-N 406.489 0.957 30 20 HCED CNC(=O)CCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511171599 QGAZPHHBYIKQNA-UHFFFAOYSA-N 406.508 0.944 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 512451575 JATUSIZPXMPLJD-QZTJIDSGSA-N 405.524 0.687 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1=O 514885288 XBKFWMRHNUPLRE-RHSMWYFYSA-N 411.462 0.249 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNC(=O)NC2CCCCC2)cc1 516821518 HSBUQZQYLDMDAH-UHFFFAOYSA-N 407.496 0.585 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 527088822 YJOKFEJYRAENDM-UHFFFAOYSA-N 413.413 0.917 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 537817637 SEDIAPJHPIYZFB-LLVKDONJSA-N 402.361 0.935 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cc1 544928166 PGITYJLIZMSTCE-HNNXBMFYSA-N 405.480 0.555 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCC(C#N)(c3ccccn3)CC2)c(=O)n(C)c1=O 548864963 UBYPPZVIQNOROT-UHFFFAOYSA-N 424.505 0.920 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 550401005 SBYJBGIEALHACI-MRXNPFEDSA-N 409.494 0.645 30 20 HCED C=CCOC[C@H]1NC(=O)N(CCNS(=O)(=O)c2ccc(Cl)cc2F)C1=O 553138091 YFXGZNCXXSCJFE-GFCCVEGCSA-N 405.835 0.880 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 553329209 ADFAVQZLYOROLU-UHFFFAOYSA-N 413.522 0.536 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 555784200 UGICHMFGDRDMNL-HXUWFJFHSA-N 400.523 0.943 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 561120985 KXMLBGUFIALNFF-KRWDZBQOSA-N 417.485 0.573 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 561755326 BBXIFMIFRNEJLF-WNRNVDISSA-N 406.442 0.440 30 20 HCED COC(=O)Cc1csc(N(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 564469299 RIQJMQVITNDZRE-UHFFFAOYSA-N 408.461 0.672 30 20 HCED Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NCCn1cnc(C#N)n1 572145127 SOUTXTUYELWTHS-UHFFFAOYSA-N 407.360 0.972 30 20 HCED CN(C)C(=O)COC1CN(S(=O)(=O)c2cccc(Br)c2C#N)C1 572530959 WMIZTXQLNKTMAG-UHFFFAOYSA-N 402.270 0.798 30 20 HCED CN(C)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 579019057 MQNWPPRNHXMNIT-IBGZPJMESA-N 416.501 0.834 30 20 HCED CCN(CC)CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 582995091 GNHMAHXFVBNTEA-QGZVFWFLSA-N 408.524 0.796 30 20 HCED CC(C)N(CCC#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 583790973 RNHJTYKLJMFLIN-GASCZTMLSA-N 404.471 0.608 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 588126665 OHOLOFYWVBIBFZ-LJQANCHMSA-N 411.506 0.440 30 20 HCED Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589471104 LEGCRMSZUBHRLT-MRXNPFEDSA-N 403.464 0.777 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)cc1 590998636 FPEPDODCPXETIP-UHFFFAOYSA-N 413.499 0.909 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1)c1nn[nH]n1 610859248 YLHVQNCQWFRXCA-MLGOLLRUSA-N 411.447 0.644 30 20 HCED CCS(=O)(=O)c1ccc(O)c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 619583297 ZNPGBVKAKADBHX-UHFFFAOYSA-N 423.472 0.974 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 685724200 JVEHMIUNNJCWGM-UHFFFAOYSA-N 413.400 0.794 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1c(C)nc(-c2ncccn2)nc1O 729708773 BASLMWKTAOSGKS-NSHDSACASA-N 400.395 0.434 30 20 HCED Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2ncn3nccc3c2=O)cc1C 732864684 SQAFIIUTPSQVKP-UHFFFAOYSA-N 408.418 0.998 30 20 HCED C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CN1CCOCC1 737983220 GXLOSSDLVJRLNZ-OAHLLOKOSA-N 408.524 0.590 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccc(N2CCOC2=O)cc1 740893136 ZNFRROVHHDEYGS-UHFFFAOYSA-N 408.480 0.880 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)[C@@H](OCC)C[C@H]3O)cc1 741239163 JMPGSKDABICHHR-MSOLQXFVSA-N 406.504 0.990 30 20 HCED C[C@@H](CCO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743992154 FEELOSFPWSDKIC-JEEMYIIMSA-N 410.496 0.573 30 20 HCED COc1cc(C(=O)NCC(=O)NCc2ccc(C(=O)NO)cc2)cc(OC)c1OC 746269365 YWOYMGTZKWOLEG-UHFFFAOYSA-N 417.418 0.878 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CCN(C2CCOCC2)C1=O 746899174 JTARHCYKJZOZMF-HNNXBMFYSA-N 421.475 0.438 30 20 HCED C[C@@H](CC(=O)NCCCNC(=O)C1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 752048477 VPCYJGYRBFMADW-ZDUSSCGKSA-N 406.508 0.926 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 754610436 AKCPQQKNRDSNGZ-BBRMVZONSA-N 400.435 0.770 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 756752335 GSLLOTYRHPCFDS-GWCFXTLKSA-N 423.476 0.369 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761039665 SOIQXHFFWWFBBD-AWEZNQCLSA-N 419.457 0.725 30 20 HCED C=CCn1c(-c2cnccn2)nn(CN2CCN(S(=O)(=O)N(C)C)CC2)c1=S 764881044 QEKZFEWXXYEZFF-UHFFFAOYSA-N 424.556 0.439 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 766988346 LLURIDJJYWIGQJ-LLVKDONJSA-N 420.447 0.625 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 770671020 WEBKVVOKJCVDTR-UHFFFAOYSA-N 424.953 0.955 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCc3ccc(O)c(O)c3)n2)cc1 774371921 TUPIMVVQURXVBL-UHFFFAOYSA-N 406.402 0.907 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nc1 780640952 HZMIMJKWWKWUCA-UHFFFAOYSA-N 400.464 0.632 30 20 HCED COCCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@@H]1CCS(=O)(=O)C1 782959324 LAGSSVDLJXKRQN-CYBMUJFWSA-N 413.427 0.329 30 20 HCED COc1cc(CNC(=O)C(=O)NCCNc2ncccc2C#N)cc(OC)c1OC 785480495 BSZDGAYVMNADGY-UHFFFAOYSA-N 413.434 0.824 30 20 HCED CC1CCC2(CC1)OC[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)O2 787787404 KBMKJGUPZIIQBO-FXUPRZHBSA-N 401.467 0.919 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1 788253112 DRHMVJFGVTTXOG-UHFFFAOYSA-N 402.432 0.928 30 20 HCED COC(=O)c1nn(C)c(C)c1/C=C/C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 792865140 BIPYOZUTVJIDIM-CMDGGOBGSA-N 421.431 0.774 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnn4c3OCCC4)CC2)o1 795733913 PUOWVSGUQSARFE-UHFFFAOYSA-N 400.395 0.339 30 20 HCED Cn1ncc(I)c1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 796607819 RIQGZZWQJQLZKF-ZDUSSCGKSA-N 402.192 0.990 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)CC1 796685684 WSEVALMMSPRLMK-KRWDZBQOSA-N 422.526 0.248 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCCC3)c2C1 797246096 WSCYFFAMGCLIRZ-CQSZACIVSA-N 407.496 0.725 30 20 HCED C=CCN1CC[C@@H](N2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)C1=O 798364418 RQJLJTLNJITLJL-FZKQIMNGSA-N 407.423 0.537 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 800080318 XHEAFVJWPIIHLA-HUUCEWRRSA-N 420.532 0.707 30 20 HCED COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 802472627 QIISZQIRINXVED-UHFFFAOYSA-N 423.477 0.390 30 20 HCED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C 805060652 FKLFLKQMXQASIK-GASCZTMLSA-N 407.515 0.947 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 807376235 QXHPXTXKWHKLPD-AWEZNQCLSA-N 411.455 0.707 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 816994011 BVAKQUXVGGWEDD-UHFFFAOYSA-N 424.486 0.731 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1079141884 DLEFHXQXHMMRIT-WXJALIKYSA-N 402.491 0.668 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1136977620 MNAITBHYBSBCIU-CQSZACIVSA-N 417.897 0.973 30 20 HCED N#CC[C@]1(O)CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 1212299547 PJCBWCJEFCIHNE-ZDUSSCGKSA-N 406.233 0.726 30 20 HCED CC(=O)Nc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1301794966 KERXFXOAHLPDSM-IAGOWNOFSA-N 409.450 0.965 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1 1317944287 LOTVOCBSVFJFAC-UHFFFAOYSA-N 405.480 0.508 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(O)CCOCC3)CC2)cc1 1324162797 UEOOQGBOXOPDQR-UHFFFAOYSA-N 407.492 0.617 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCN(CC(N)=O)C3)ccc2c1=O 1328139955 LBNRRFKDYSNUHI-ZDUSSCGKSA-N 401.492 0.551 30 20 HCED COC(=O)c1ccn(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1441014382 USGXPJJZQLLBTR-UHFFFAOYSA-N 417.447 0.074 30 20 HCED C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1507784170 ISMZZUWABBGYMN-CYBMUJFWSA-N 414.304 0.986 30 20 HCED Cc1nccnc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1511623971 PYYSKDKDJCZYAL-OAHLLOKOSA-N 419.449 0.995 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CC3OCCO3)CC2)cc1 1593791075 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COc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 442342673 BYRYUFAPCWKVRF-UHFFFAOYSA-N 406.464 0.578 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 445772941 JYIYBUJRYYDFCP-GFCCVEGCSA-N 414.853 1.463 30 20 HCED CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465460005 RONNHBRFQISSKN-WBVHZDCISA-N 420.539 0.980 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)ccc1OC(F)F 489230961 XAIBTYOOYWZMJD-UHFFFAOYSA-N 421.425 0.838 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)C2=O)cc1 489232484 DXWLIQPDEGSYAM-OAHLLOKOSA-N 403.402 0.231 30 20 HCED Cc1ncc(S(=O)(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)cc1C#N 489665424 LSSIZKZXCWKGLT-CQSZACIVSA-N 412.479 0.894 30 20 HCED N#CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 497540088 SDWUOWXAENHJDR-UHFFFAOYSA-N 412.899 0.983 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 500363598 MGHAFYWIVHMKBY-JKSUJKDBSA-N 401.463 0.683 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 506686146 IJKFXPCHOKULNS-BBRMVZONSA-N 402.480 0.774 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 506909991 GHGXEYYUGIYDRO-UHFFFAOYSA-N 407.452 0.189 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1 507143861 OSCROCKEVKAYJY-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508495133 SZHNLJSRLVAIGW-UHFFFAOYSA-N 414.532 0.091 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508628003 DKEPVGJXRXREEM-QGZVFWFLSA-N 419.507 0.731 30 20 HCED C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 508681721 XJQOBMVQZURJKJ-YOEHRIQHSA-N 419.507 0.729 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 508839103 CETYVQBDDSQMCB-UKRRQHHQSA-N 410.544 0.817 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CC(C)C 514522743 YOFPZNFCYHGUJA-AWEZNQCLSA-N 400.504 0.615 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1cnn(CC)c1 522385157 MRPVUPWBYTZKMS-UHFFFAOYSA-N 409.471 0.822 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCOCC3)CC2)cc1 524541783 JPWILFOFNWAWSN-UHFFFAOYSA-N 406.508 0.490 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCCC(F)(F)F 527030340 HLZSKYQVIBAKCG-UHFFFAOYSA-N 413.425 0.625 30 20 HCED COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 527357479 QBGUKKOBQWJQHD-DZGCQCFKSA-N 402.451 0.895 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 533086800 VYPOEMQZQGXVQV-OAHLLOKOSA-N 411.528 0.575 30 20 HCED COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC2(C#N)CCC2)c1OC 534031213 OKTWLAUYGBIABQ-UHFFFAOYSA-N 409.464 0.901 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCOC2(CCOCC2)C1 542345013 LCAYFQBNKHYXGU-UHFFFAOYSA-N 403.435 0.930 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 543749171 ZOONTILTPVKAKT-SJORKVTESA-N 419.507 0.777 30 20 HCED C[C@H]1C[C@@H](C)CN(CCCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 550789795 BFIYTXUEXUWIDS-IYBDPMFKSA-N 417.558 1.129 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCO)Cc2ccc(OC)cc2OC)C1=O 559804062 OLYAANNMDORKHI-UHFFFAOYSA-N 405.407 0.002 30 20 HCED C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 559909433 NYIDPFIIFSWOHX-QPUJVOFHSA-N 400.254 0.809 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1-n1cnnn1 560053441 POUADKWIKJSWHI-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 567016065 HGRFEIYGLSSQBW-MRXNPFEDSA-N 405.524 0.465 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 576672694 ATSICTXCYSJLEX-UHFFFAOYSA-N 407.496 0.443 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2snc(C)c2C#N)CC1 577253685 RQOJNUFMMIDRJR-QWHCGFSZSA-N 422.511 0.611 30 20 HCED CC(C)(C)n1ncnc1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 578559416 GSQCOCSLBWQHCJ-KRWDZBQOSA-N 409.494 0.886 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCCn1cnc(C#N)n1 579037730 SXSYZMIIYDDDHE-JTQLQIEISA-N 416.385 0.652 30 20 HCED COC[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H](C)O1 587648124 QXBMCCHWJJSVCC-RHSMWYFYSA-N 401.467 0.301 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@@H]3CCOC3)CC2)c(F)c1 588108474 ZJEGWGZQHQDXQY-MRXNPFEDSA-N 404.442 0.515 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)cc2)c1=O 603796728 MGAFJQRUVXIURQ-UHFFFAOYSA-N 401.488 0.594 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1cc(C#N)ccc1OC(F)F)c(=O)n2C 609068416 QVBGAVVWRJDCCA-UHFFFAOYSA-N 404.333 0.545 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 609420409 LVQZJJOARHSLCM-UHFFFAOYSA-N 421.523 0.664 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCNC(=O)[C@@H]2c2ccccc2F)CC1 612178147 CGAKDCZFMAIWJL-ICSRJNTNSA-N 401.486 0.991 30 20 HCED C=CCOCC(=O)O[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 729766662 TZYVYAAAVYBECF-AWEZNQCLSA-N 412.464 0.780 30 20 HCED N#CCCCS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 732216108 RZEKUGOYWAHSFZ-UHFFFAOYSA-N 401.466 0.582 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(n2cncn2)C1 732759439 LZYXWELOENRLIQ-HNNXBMFYSA-N 402.480 0.815 30 20 HCED C[C@@H](OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCC#N 738680425 ZWUOGXAEWFVEJI-GFCCVEGCSA-N 412.424 0.519 30 20 HCED CS(=O)(=O)CCOCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 743640014 MFIIFYPHGYLEJO-UHFFFAOYSA-N 422.507 0.980 30 20 HCED C[C@H](C(=O)OCC(=O)Nc1ccc(CC#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745443449 FFJMQVZDBGNAGM-BBVCAZISSA-N 411.414 0.785 30 20 HCED CC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749742531 IGGXITUEGFBNNL-JPDJOPTESA-N 410.496 0.715 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cc1C#N 752398202 JIKPIESFAGXDMV-UHFFFAOYSA-N 423.451 0.217 30 20 HCED CN(C)C[C@](C)(O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 752480303 VCUNTCSQZHXCQF-LJQANCHMSA-N 410.540 0.714 30 20 HCED COCCc1nnc(SCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n1N 754803856 IUZIFAPFKYSICD-INIZCTEOSA-N 415.523 0.682 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755538746 TVQHIIRQWHOODT-HIFRSBDPSA-N 415.450 0.860 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(Cl)c2)c1=O 758041305 RSFFEHFMWLOSPV-UHFFFAOYSA-N 415.902 0.852 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758053653 VNVBVBOXLRORLD-UHFFFAOYSA-N 422.510 0.777 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758075989 CQNMRHWEJSDHHD-UHFFFAOYSA-N 406.467 0.307 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2cccc(OCC#N)c2)c1 760506029 WXGYVNNPYGDACA-UHFFFAOYSA-N 416.459 0.794 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCN1C(=O)NC(C)(C)C1=O 767678591 FIYFGSXOWFTENH-LBPRGKRZSA-N 422.463 0.489 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1OC 767884149 WEEQTMJFDBBNCD-CQSZACIVSA-N 418.431 0.671 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)cc1OC(F)F 771898215 WIEYAGMFYIZUHS-UHFFFAOYSA-N 420.369 0.527 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1=O 772830165 WWXIXWPEKDWYBO-SJLPKXTDSA-N 401.511 0.450 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 773094027 KHDZCZSPOJGXIY-AWEZNQCLSA-N 417.409 0.881 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 783304512 NNMVWDXMAPQJEN-UHFFFAOYSA-N 418.523 0.640 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 783346343 DWSIHLHVTOAGDW-UHFFFAOYSA-N 416.459 0.989 30 20 HCED CC(C)(C)OC(=O)NCCNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 786700905 BOZQACUAGVPGDG-UHFFFAOYSA-N 402.455 0.243 30 20 HCED Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787649201 AORHFIIRAVLEQN-CYBMUJFWSA-N 412.450 0.872 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 787755740 NBJQKNZQZDNXRI-HNNXBMFYSA-N 408.466 0.883 30 20 HCED COC(=O)c1cncc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 788665306 QJZDVOWIGXNDKQ-TZMCWYRMSA-N 410.452 0.906 30 20 HCED C=CCN1CC[C@H](OC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798565598 DLMBSQNVMOTUBD-INIZCTEOSA-N 408.476 0.960 30 20 HCED C=CCN1CC[C@H](N(C)CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1=O 799176067 CIYNGEOVBXTSHX-IBGZPJMESA-N 404.486 0.997 30 20 HCED C#CCN=c1nc(N2CC[C@@H](CN(C)CC)C2)[nH]c(N2CC[C@H](CN(C)CC)C2)n1 804523880 DMSOGXQSERZYLT-KDURUIRLSA-N 414.602 0.895 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCC(Oc3ccnc(C(N)=O)c3)CC2)nc1 808742998 OIOZYHKBTWLMBU-UHFFFAOYSA-N 415.475 0.764 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@H]2CCCN(O)C2=O)cc1 816755067 SDDATKGCEUXJDC-MRXNPFEDSA-N 411.480 0.786 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1 816774286 SOTROCUVRGFZSY-FUHWJXTLSA-N 402.476 0.982 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@H]2CCCO2)CC1 913404015 GLICOROACPNAGQ-MRXNPFEDSA-N 420.535 0.829 30 20 HCED CCNC(=O)COc1ccc(C=NNc2ccc(S(N)(=O)=O)cn2)cc1OC 914696413 WQXKKZMRLOQJGE-UHFFFAOYSA-N 407.452 0.699 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)cc2)c1=O 916199944 OVJHUPDPEAILDQ-UHFFFAOYSA-N 413.499 0.227 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 916889156 JVROQUKHLBZJGD-JKIFEVAISA-N 423.491 0.570 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl)c(=O)n2C 916910240 QYBVVHSWVYCESB-SNVBAGLBSA-N 414.809 0.435 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1CCOC 917768478 HWEDJPSIZOOKCF-UHFFFAOYSA-N 413.455 0.090 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCCN(C)S(=O)(=O)CC)ccc1F 918572911 DDPWTVOFYCLBLJ-UHFFFAOYSA-N 421.516 0.691 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1CC(=O)NC(=O)C1 998376464 SEAAGTJWFYRSAN-CUGJGTHOSA-N 403.479 0.659 30 20 HCED N#CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1110679845 BZYBZLNQLLJZGK-DZVNLGKHSA-N 401.511 0.529 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1137994546 VOIXNNAVOJJHGP-QGZVFWFLSA-N 422.507 0.292 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=c1ccn(C)c(O)n1 1144325146 RTSNKKVYVXPOEN-CYBMUJFWSA-N 403.464 0.851 30 20 HCED Cn1ccnc1[C@@H]1C[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1161536363 UIGAAKUEDCHETN-ZFWWWQNUSA-N 417.491 0.885 30 20 HCED COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1195289622 PRPPPVVUYXNNKC-MRXNPFEDSA-N 410.434 0.436 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1340432887 WKYQMOKDRKEFKX-OUIWWDRTSA-N 403.391 0.188 30 20 HCED CCCNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1501176264 YCCIZIVDYXIDJM-INIZCTEOSA-N 400.487 0.785 30 20 HCED CN(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1517022847 JFDHISRICQNREP-BBRMVZONSA-N 400.480 0.853 30 20 HCED CN1CC[C@@](O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1517415208 RXYRVZDXKNDVHC-XLIONFOSSA-N 400.458 0.803 30 20 HCED COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1518650857 IXRMPTHGMXSBED-UHFFFAOYSA-N 421.465 0.289 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1541806380 KGBPORFRIYVKFD-NSHDSACASA-N 401.393 0.817 30 20 HCED CN(C)C(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1552656385 PGFJKQNOSSQCTP-LSDHHAIUSA-N 415.498 0.607 30 20 HCED N#Cc1cn(CCC(=O)NCc2ccnc(N3CCSCC3)c2)c(=O)nc1O 1557765336 OEMKBLCNJJGUDS-UHFFFAOYSA-N 400.464 0.475 30 20 HCED CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1706516088 MZUUGTJSXNITSC-IRXDYDNUSA-N 419.530 0.502 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1711387871 LWFQNQQTSSFPDG-UHFFFAOYSA-N 419.511 0.280 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCS2(=O)=O)CC1 1712885712 VROZLSRTXNOTIN-MRXNPFEDSA-N 408.528 0.948 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cnnn1C 1723929633 ZVMHVCKCEJEXIS-LBPRGKRZSA-N 407.504 0.195 30 20 HCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1750256203 JDGMEXIHUGPKIG-NWDGAFQWSA-N 400.530 0.513 30 20 HCED CO[C@]1(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1768234809 SUGLSHRTJXMFHS-LPHOPBHVSA-N 401.471 0.674 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cn4cccnc4n3)C2)C1 1778478342 LKMDSHGMUICQOV-FOIQADDNSA-N 414.466 0.974 30 20 HCED O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107488 VMKMSDZYAYNGAW-AJKSKJRUSA-N 417.466 0.782 30 20 HCED C[C@](O)(C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)C(F)(F)F 1779134800 PPOPVJHBGQKBJJ-MTOUOXAKSA-N 417.384 0.842 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 1779602781 CRXISJQZIKUGCU-FZKQIMNGSA-N 402.411 0.749 30 20 HCED CN[C@H](CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1)C(=O)O 1780696390 UTHJOHIUMFYZFN-OXQOHEQNSA-N 400.435 0.064 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781786570 DGBCUTGUBOADLI-UTKZUKDTSA-N 413.478 0.643 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1782059564 FSISXRXRIJYISB-UWJYYQICSA-N 413.478 0.757 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO3)c1 1782060824 KNEKKIYGGTXCKF-VGSWGCGISA-N 410.474 0.836 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)c5nc[nH]n5)CCO4)C3)c2c1 1782195545 FQNLQALYKPPOEK-LJQANCHMSA-N 406.406 0.310 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1782705214 SCSXEVCDBYFCGR-MGPUTAFESA-N 424.498 0.660 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1783395437 OXXWMHQPWQDVQQ-FOIQADDNSA-N 411.499 0.932 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)N3CC[C@@]4(CN(C(=O)CC#N)CCO4)C3)[C@@H]2C1 1783467048 CPVDBVKDEQQZNX-ICDONNSOSA-N 418.494 0.843 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC5CC5)[C@H]4C3)c(C)n2n1 1784383222 YMZRHCCIPJBVDJ-BZSNNMDCSA-N 422.489 0.748 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CSc4nc[nH]n4)C3)C2)cc1 1784393889 VNFYGVCXEFOXAC-LJQANCHMSA-N 412.475 0.912 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784486119 XCFDGPAURWPWEC-DHOAOXLPSA-N 421.494 0.533 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=NN(C)C(=O)CC3)C[C@@H]21 1784501216 HUPADLUEQCRSTE-JKQORVJESA-N 406.483 0.165 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1784513939 DPZDYETYZPZDEV-VPCYTDGVSA-N 401.467 0.132 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C(N)=O)cc3)C2)C1 1784928183 MLAFWAJZHJNSQV-YCRPNKLZSA-N 401.463 0.820 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@H]3CCCOC3)C2)C1 1785499953 OWBOQGODLFRYPY-KYPGUPDXSA-N 409.483 0.772 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncccn3)C[C@@H]21 1786857589 UZPIKXBMTQITDR-JYJNAYRXSA-N 400.483 0.352 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnn(C)c3)C[C@@H]21 1788575782 DZPOHUTUGKCMSL-XSLAGTTESA-N 404.511 0.515 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1ccc(O)nc1 1789298584 QVIYXZAVPGZQCH-HMRXFYLZSA-N 415.494 0.852 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(cnn4C)c3OCC)C[C@@H]21 1790790582 NXSJXMKUYVHWAT-JQFCIGGWSA-N 411.462 0.594 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C[C@@H]21 1790825453 DNTOLXOPGZFLHD-WOYTXXSLSA-N 400.541 0.859 30 20 HCED C[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)c3ccccn3)C[C@@H]21 1791264695 VAEAMGGRYALIQQ-BWJWTDLKSA-N 420.535 0.498 30 20 HCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(OC)OC)c(O)n1 1793167591 AEMPYUKJDAGWLC-XOIINTDNSA-N 419.478 0.728 30 20 HCED COC(=O)[C@@H]1CCC[C@@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C2(C#N)CC2)C1 1795412740 RBCSWUWXWXFZGO-OVYGPGRDSA-N 403.479 0.859 30 20 HCED CC(C)(C)NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795564362 QTPIORPEGOCTQB-QTTPAESDSA-N 410.515 0.493 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cnnn2)c1 1795861143 PBAOUYSOJOEGKK-UEILYKACSA-N 409.450 0.204 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc2c(cnn2C)c1 1797081860 UYJFASZUNZAEIL-XUMLPFHTSA-N 410.474 0.815 30 20 HCED Cn1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2(O)CCCCC2)n1 1797781395 LBSFRTNWBOXUSH-HGKCTWBKSA-N 400.479 0.322 30 20 HCED CSCC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797785444 SIFUXFPARNKBDP-ZMMAXQRCSA-N 424.563 0.389 30 20 HCED Cn1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cn1 1797811968 VHACBKIZJVISEK-VKMCFIAZSA-N 405.455 0.152 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn(C)c1Cl 1798343490 ZBBFXGLVJNMTAB-LXBXGBMDSA-N 421.885 0.135 30 20 HCED CCOC(=O)C1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)CC1 1798695259 YFTURACGHJJVDF-MIFYACCESA-N 400.435 0.433 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCN(C)CC1)C2 1799302011 SELBMNZMAWAZEH-RMFSNUHRSA-N 421.538 0.817 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1c(C)nn(C)c1C)C2 1799396136 PVAPOUWUOCNBAP-LJCCNALRSA-N 419.526 0.970 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c3c(nn1C)CCC3)C2 1799398038 ZZMXBCGPZBRZLZ-ZXFNITATSA-N 417.510 0.913 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1801354563 RKHMOQGTSHURTI-LVQVYYBASA-N 418.450 0.986 30 20 HCED Cn1cc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)cn1 1801420970 YOVHHHSGEHKTPU-TTYZWARGSA-N 419.482 0.081 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1c1cccnc1 1802490981 WROOYBHWLBDNIX-CWZDDEHYSA-N 422.489 0.912 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@H](CNC(=O)C2CCC(CO)CC2)[C@@H]1c1cccnc1 1804224039 XOHVVTFLCFURHT-ODLMNGIJSA-N 413.474 0.974 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@@H]1c1cccnc1 1807018426 MZMLSEQTQUQULR-ZBFHGGJFSA-N 423.410 0.362 30 20 HCED C=CCOCCCC(=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807608017 ALSACIZWPIYVMY-FXAWDEMLSA-N 413.482 0.757 30 20 HCED O=C1CC(C(=O)NC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)[C@H]2c2cccnc2)=NN1 1810223470 MVGNFBFMADKNMD-KQLOLTDDSA-N 422.445 0.675 30 20 HCED N#CCc1ccc(C(=O)NC[C@H]2CCN(C(=O)[C@@H](N)CN)[C@H]2c2cccnc2)cc1 1811355105 VHFODGLZBYXKND-AABGKKOBSA-N 406.490 0.753 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1812882145 IWGVEEOZHVVGDL-OXFYSEKESA-N 409.446 0.942 30 20 HCED CCC[C@H](NC(C)=O)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1814130905 GYOZXMNUSVLOFA-UWVAXJGDSA-N 414.462 0.480 30 20 HCED O=C(Cn1cnnn1)Nc1cc([C@H]2CCCCN2C(=O)C/N=C/c2ccco2)[nH]n1 1817615185 MZHKOESYGPBORE-VTNJTDAWSA-N 411.426 0.801 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819441764 LDVMXSBJJCDPOD-KKVAFCGZSA-N 421.498 0.644 30 20 HCED NC[C@H](C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1)c1ccccc1 1825664445 HBAKPDSKGGMGFD-KGLIPLIRSA-N 412.471 0.886 30 20 HCED Cc1cn(CC(=O)Nc2nc3c(s2)C[C@@H](NC(=O)[C@@H](C)S)CC3)c(=O)nc1O 1827993743 CCLGMMBYZPFTRG-ZJUUUORDSA-N 423.520 0.644 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccnn34)C2)C1 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1832454492 QSJRIEWNYCSKPJ-SFHVURJKSA-N 408.480 0.171 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832809816 SUJFAXGVUOPEJE-HSZRJFAPSA-N 422.485 0.850 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3ccco3)CCO2)C1 1833044993 URPHGCGVHFKTHL-LAUBAEHRSA-N 404.463 0.707 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Br)cnc1C)CCO2 1833397323 INTXNUZZRQPGMY-SFHVURJKSA-N 422.279 0.856 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833842769 YOTYVHWCCWLYLN-JXFKEZNVSA-N 403.483 0.654 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1834399141 HYNZLAIEQHSHHW-QFIPXVFZSA-N 423.473 0.870 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnoc4C4CC4)CCO3)C2)CC1 1834612800 TUUUFDVDZAZFQC-FQEVSTJZSA-N 400.435 0.926 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)Cn3cncn3)CC2)CC1 1835809057 AXVYAFKVTFLCGM-KRWDZBQOSA-N 400.527 0.899 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1836392776 ZIYOHSDJLHJYJE-HXUWFJFHSA-N 412.450 0.349 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1837320337 VSCLNMPRJAPIIP-CXAGYDPISA-N 422.400 0.761 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3=COCC3)C2)C1 1837446859 JDINESVPCBRPIS-BCVDLATCSA-N 406.483 0.219 30 20 HCED Cc1nn(C)cc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838732991 IBDQPSRMRAEVAE-HXUWFJFHSA-N 412.450 0.312 30 20 HCED CSCC[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742020 MGHPOXONRHAIHB-VQIMIIECSA-N 422.507 0.070 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)CCN(C)C(C)=O)C2)C1)C(F)(F)F 1839891438 FUDMOWCCNHAJSC-KRWDZBQOSA-N 421.416 0.430 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CC(=O)OC(C)(C)C)C2)C1 1840158969 UHDKOATYVXIWBD-UGSOOPFHSA-N 402.513 0.493 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1840168043 DKUJHJUUENUDDO-OAQYLSRUSA-N 416.478 0.539 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)n[nH]2)C1 1842985287 MDJVFCWPMJLMQE-ZDUSSCGKSA-N 417.466 0.849 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(=O)c2cnccn2)C1 1844331627 AAFOXRIHMRAYJR-GJZGRUSLSA-N 401.467 0.389 30 20 HCED Cc1cc([C@@H](C#N)C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)nc(C)n1 41560276 XPEDSFDLUQYCDD-MRXNPFEDSA-N 413.459 0.704 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c(C(F)(F)F)c1 56034973 DXQFECGEAAMSEA-UHFFFAOYSA-N 402.354 0.940 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N(CCC#N)CCC#N)c1 105780503 UBKXJRXWJHWYGB-UHFFFAOYSA-N 402.432 0.411 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 426942625 MJHLTPFDTXJZKA-UHFFFAOYSA-N 417.441 0.095 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCCO1 433637310 DNBGLQUAWCJBBJ-OAHLLOKOSA-N 411.466 0.695 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 433874130 UTJZMHQIRJQCOQ-JTQLQIEISA-N 422.326 0.881 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 434812111 DVKQKLYZHYBINS-UHFFFAOYSA-N 422.467 0.277 30 20 HCED C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)OC 435941876 LMFQDUOAEWEWTO-LSDHHAIUSA-N 404.419 0.880 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)Nc3ccccc3)n2)c(F)c1 437379846 JJRQZLZXEFVNKM-UHFFFAOYSA-N 406.377 1.576 30 20 HCED C[C@@H](C[S@@](C)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 442039663 CCGPYTBGQRIPIN-RNUGCUGFSA-N 407.883 1.561 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O 443108455 MRPHCOSOUGUSFJ-UHFFFAOYSA-N 402.354 0.940 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1OC(F)(F)F 443310270 IWRYWTUQCMGTHP-LLVKDONJSA-N 420.369 0.675 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H](C)O1 443749472 PTJXXXHCTLOGNP-STQMWFEESA-N 401.398 1.084 30 20 HCED Cn1c(N[C@@H]2CCN(c3cccc(Br)c3)C2=O)c(C#N)c(=O)n(C)c1=O 447689836 UDKVCBHWVUNZBS-CYBMUJFWSA-N 418.251 0.936 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 460617521 FXPGMDWHJIKSBD-KRWDZBQOSA-N 407.478 1.473 30 20 HCED C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H]2CCC[C@H]21 460936398 YKRXFKVOOWAAIV-PMPSAXMXSA-N 411.528 0.945 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2=O)n(C)n1 464113319 HRCHZUDDUJFYCM-INIZCTEOSA-N 404.434 0.903 30 20 HCED COCCCS(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 470208242 YKCYYMJTTGFGHN-UHFFFAOYSA-N 414.915 0.816 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)CC(=O)OC)CC2)c1 474121252 VOQHOROUAYLSDA-OAHLLOKOSA-N 409.508 0.860 30 20 HCED CN(CC(=O)NCCCCN1CCC[C@@H]1CO)S(=O)(=O)c1ccc(C#N)cc1 476401779 HCCKIEXVRJWACX-QGZVFWFLSA-N 408.524 0.532 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1Cc1ccon1 480958507 UBCSEQBNVJRXCJ-UHFFFAOYSA-N 415.500 0.740 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(C#N)c2)C1 486633673 VDYRXGAQQWZUEJ-MRXNPFEDSA-N 401.510 0.619 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCn4ccnc4C3)CC2)cc1 488569425 CHGDTJPZYPFYKJ-INIZCTEOSA-N 414.491 0.786 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)Cn2cncn2)cc1 490069968 GEXWYHQPJHCSLK-CYBMUJFWSA-N 406.468 0.228 30 20 HCED COCc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n2ncnc2n1 491398226 WOUVCABDHOGYSF-UHFFFAOYSA-N 413.463 0.653 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC(S(N)(=O)=O)CC2)cc1Br 500020449 DMEHNNCJMMUXGT-UHFFFAOYSA-N 415.269 0.539 30 20 HCED COC(=O)C1(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CCS(=O)(=O)CC1 501492938 XQPFVVDRPIGLBJ-UHFFFAOYSA-N 408.404 0.235 30 20 HCED COC(=O)Cc1csc(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)n1 502173177 WESLRXDYSZXKFF-UHFFFAOYSA-N 400.464 0.886 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC1CCOCC1 502500712 MIMIIFNOWYFIQM-UHFFFAOYSA-N 420.535 0.750 30 20 HCED C[C@@H](CS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 503537949 UDXDNPCLOOFWOI-VIFPVBQESA-N 407.370 0.987 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 507051173 KFLLKSVPWVLKNE-GFCCVEGCSA-N 406.386 0.744 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)nn1CCC#N 508682028 WSARXDAQRSEQGB-LBPRGKRZSA-N 402.377 0.423 30 20 HCED N#CCCCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 510403051 FHGJJFONKRZKQM-UHFFFAOYSA-N 412.443 0.595 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2ccc(F)cc2)CC1 515244838 QFLDRHKIBXZPTC-HNNXBMFYSA-N 406.458 0.156 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 515648522 BQTWQFZZSOQXJT-UHFFFAOYSA-N 419.484 0.770 30 20 HCED Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)n(CCC#N)n1 516333302 PRXSKZLLIHTXEK-UHFFFAOYSA-N 416.463 0.478 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)o1 526000953 UNDVZUBJBYHHED-INIZCTEOSA-N 402.499 0.775 30 20 HCED CS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)c1 526136033 OIMQHLZTKWFMOI-UHFFFAOYSA-N 404.492 0.410 30 20 HCED CCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 532313268 DRKWNQITSHVQPA-CQSZACIVSA-N 421.461 0.774 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)CN1CCOCC1 543218575 OFPOSCJSXBJQQS-HNNXBMFYSA-N 404.467 0.606 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543924545 SKKGTCIKPMVTSO-UHFFFAOYSA-N 410.843 0.001 30 20 HCED N#CC1(c2ccccn2)CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 548841337 JIOAZSNMZNBUSR-UHFFFAOYSA-N 406.489 0.975 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)CCc2ccc(OC)cc2)CC1 551129720 PBDXXCSBCBUUME-QGZVFWFLSA-N 416.522 0.579 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 554066924 HUQAVWKHJGZTDR-HOTGVXAUSA-N 412.494 0.365 30 20 HCED CN(C[C@@H]1CN(C(=O)NCC#Cc2cccc(F)c2)CCO1)c1nccn(C)c1=O 555211071 JEVDOCVSCKGLPP-GOSISDBHSA-N 413.453 0.818 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1O 556083741 DTBPEYHIENDHJX-ZWKOTPCHSA-N 423.535 0.651 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 559536066 YPBMNOXFIVXWIF-UHFFFAOYSA-N 410.887 0.886 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)NCC(=O)NCCN3CCOCC3)C2)c(F)c1 561128444 AGSCHVKGGMDKGJ-INIZCTEOSA-N 403.458 0.088 30 20 HCED CCN(C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567784558 MYWIPITZNSMSOB-IEBWSBKVSA-N 411.506 0.970 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(CC(F)(F)F)CC2)c1 572081253 HNTFZMZXMHVTDP-UHFFFAOYSA-N 404.414 0.933 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1ccccc1 575827789 WALZWLXEWCBITF-DYVFJYSZSA-N 423.477 0.565 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CCCO1 579057439 WJWSSJLEDAVKBB-CEXWTWQISA-N 400.479 0.533 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NC1CCN(CC#N)CC1)C2 585745142 DWNFNVACBQWNDX-UHFFFAOYSA-N 405.524 0.993 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)n1 588732742 XMARMGRYNFHNFH-HNNXBMFYSA-N 403.468 0.766 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 610704604 BXUGSRVDOKYQSF-CYBMUJFWSA-N 416.463 0.112 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@H](C#N)c2ccccc2Br)CC1 610739386 XGFFTUXSGPXOIX-CQSZACIVSA-N 415.313 0.707 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 728571038 UNAGLLDVWBHAFR-IRXDYDNUSA-N 416.522 0.637 30 20 HCED 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COc1ccccc1CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800773832 KPXLHDBHXVJECJ-VPTLXERWSA-N 400.431 0.305 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801347978 KBLPZAWAFHCYDM-BASYENTBSA-N 404.467 0.018 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(=O)c1cccn1C 1801443134 PLJRWJYUUUICHH-MPTYRVRUSA-N 404.467 0.598 30 20 HCED CCN(C)[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801994179 BESVNWSDPZUKBN-JWVYWZTKSA-N 414.506 0.867 30 20 HCED C=C(C(=O)N1CCC2(CCCN(C(=O)C[C@H]3NC(=O)NC3=O)C2)CC1)C(F)(F)F 1806851977 RLCSJQBZHKTWOZ-GFCCVEGCSA-N 416.400 0.934 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1807018407 MZMLSEQTQUQULR-GDBMZVCRSA-N 423.410 0.362 30 20 HCED C#CCCC(=O)N1CC[C@@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811193436 JMTHEZQYYPEQFQ-KXBFYZLASA-N 406.446 0.704 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](N)CCC(N)=O)n[nH]1 1817244764 AHFIRTZTLOEWGP-KCQAQPDRSA-N 406.487 0.586 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC1CC1)CC2 1819458015 GELFUCRJCIPPMS-BZNIZROVSA-N 406.464 0.533 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@H]1CCC(=O)N1)CC2 1819708796 CYPMKJZNLVZULX-ZKYQVNSYSA-N 406.508 0.907 30 20 HCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)C=CC2=O)CC3)c1 1821609405 YORHFDHZLVNNAI-LLVKDONJSA-N 424.442 0.494 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@@H]2CCCCN2C(=O)CC[C@H](N)C(N)=O)CC1 1826933050 UKORNQRASFKROX-NJAFHUGGSA-N 406.527 0.237 30 20 HCED O=C1CC(C(=O)N2CCCC[C@H]2C2CCN(C(=O)/C=N/N3CCCCC3)CC2)=NN1 1828861955 BNGAJJZOGGJWOE-LUJYGJGBSA-N 416.526 0.954 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(OC)nn4)C3)C2)C1 1829670173 WXPSQZPWKIGECK-FQEVSTJZSA-N 402.451 0.521 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)N(C)C)CCO2)C1 1830044911 XJRDOARSLVWXPJ-DYESRHJHSA-N 422.526 0.482 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCCN1C)CCO2 1830751782 IHCOASHGPSVOBM-XLIONFOSSA-N 411.568 0.846 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3ccnc3)CCO2)C1 1830981700 DVMWGMDOLPTTRE-QKLQHJQFSA-N 421.498 0.701 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3cc(C)on3)C2)C1 1831397224 WCIUTYLQRGLYRS-DFUKUNQBSA-N 417.462 0.491 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3(COC)CC3)C2)C1 1831404211 KVXFHTQAEYFXJS-NRFANRHFSA-N 410.511 0.852 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3N)C2)C1 1831425347 TYWUIUYWZVMWPT-AUUYWEPGSA-N 408.455 0.226 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4csnn4)CCO3)C2)c1 1831750547 HGHZKJUPTMQUIO-QGZVFWFLSA-N 402.436 0.122 30 20 HCED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n1 1833762524 UPKWTSIEECZSNC-HXUWFJFHSA-N 402.451 0.710 30 20 HCED COc1ncccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1834125473 QJYKVCRKZZNZFF-FQEVSTJZSA-N 402.451 0.710 30 20 HCED O=C(Cn1ccnn1)NC1CCN(C2CCN(C(=O)C#Cc3ccccc3)CC2)CC1 1834896013 UQDJOWGKGDLKIU-UHFFFAOYSA-N 420.517 0.901 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1835095857 IRNAMWQOAQJJMY-HSZRJFAPSA-N 420.469 0.527 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1CCOCC1)CCO2)C(F)(F)F 1835194659 YKYFBCODGMIYAS-QGZVFWFLSA-N 406.401 0.988 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnc5[nH]4)C3)C2)CC1 1835344709 QVVPFIFHEDTMBR-OAQYLSRUSA-N 409.446 0.937 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344740 RTDLEYYWSYENIA-IIBYNOLFSA-N 413.478 0.642 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(-n3cnnc3)cc1)CCO2 1835498989 QHVJFKPFTCCPDY-OAQYLSRUSA-N 411.462 0.913 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CCO2)C1 1838825442 VXMADKVIWWFBAV-IFXJQAMLSA-N 420.422 0.031 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839360999 KNSNMHTYSFDVIS-UGKGYDQZSA-N 415.490 0.840 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840014083 JEIUIJFABGUQAV-PGRDOPGGSA-N 420.506 0.320 30 20 HCED C[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840044101 LAXXMJLSXBHQHV-JTSKRJEESA-N 414.458 0.410 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840163867 QDXKVASTDOKPDY-TXPKVOOTSA-N 401.573 0.739 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnoc3COC)C2)C1 1840167762 LVXPBNZPHAGRBV-FQEVSTJZSA-N 405.451 0.695 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1840295339 JOVLTZMLFBUOAW-JOCHJYFZSA-N 415.490 0.858 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)c1 1844795114 YAUCTNIHVHTGNG-ZDUSSCGKSA-N 422.445 0.710 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2cn3c(nc2=O)SCC3)C1 1845021480 UNNUDMWAPBDSCW-CQSZACIVSA-N 418.519 0.686 30 20 HCED CN(CC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2)C(=O)C(=O)O 1845809394 AEAWFZWCULGWAQ-AATRIKPKSA-N 419.459 0.233 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846371520 XQKNZOPEOVQDJR-DJJJIMSYSA-N 413.540 0.880 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)NCc2cc(OC)c(OC)cc2OC)c1=O 10854851 QRZTVGYZZXCDHV-UHFFFAOYSA-N 402.407 0.244 30 20 HCED CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(CC)C[C@@H](C)C#N 409556702 YVUDWRRUDBOWTD-HOTGVXAUSA-N 408.590 0.544 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)CCO1 410129282 HOVNGLLLSROLQZ-WDEREUQCSA-N 410.279 0.792 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cn1 433482769 BAGDGQQPDXQJTB-CQSZACIVSA-N 412.427 0.639 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CO)c1ccc(F)cc1 440888287 FVERWIHHALYLRL-INIZCTEOSA-N 408.393 1.375 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443513337 YSYOLBFXFZZBDG-CMPLNLGQSA-N 402.454 0.463 30 20 HCED CCS(=O)(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 444313105 CWLJXIJONOGSFX-CYBMUJFWSA-N 413.521 0.651 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 444495168 LBLSFASWFWZHBF-OWQGQXMQSA-N 417.491 0.193 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC[C@@H](CO)Cc2c(F)cccc2Cl)n1 444525909 IZBFMOBWFQYHQJ-LBPRGKRZSA-N 407.833 1.495 30 20 HCED COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 445173451 OTRKOXRLXQNVPJ-OALUTQOASA-N 407.426 0.945 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 463342303 BEFQWXXPJMFYPA-UHFFFAOYSA-N 409.493 0.503 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)O[C@@H](CO)C2)cc1 470947164 PSILNPWYJDNPBH-UKRRQHHQSA-N 411.480 0.040 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)ccc21 471059811 SJQDRTSBRPFXGH-OAHLLOKOSA-N 412.450 0.477 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21 471126823 DYABVTMLAXWYMH-UHFFFAOYSA-N 408.417 0.865 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)c1 471255920 DHGMHHUADYFMER-UHFFFAOYSA-N 413.781 0.774 30 20 HCED CC(=O)N1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472129548 CZILXFKJSHODGI-KRWDZBQOSA-N 404.492 0.696 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 472638231 PDDJWKQUSJRTEK-DJJJIMSYSA-N 411.443 0.475 30 20 HCED C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@H]1CCCN(CC#N)C1 473700953 YWTMBQZPZJXYGO-DYVFJYSZSA-N 400.401 0.970 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 474232094 CVEFSKXZLFXNAQ-SJORKVTESA-N 404.492 0.589 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)NC(C)(C)C)CC3)CC2)o1 481140254 KCDDNDKWQCMZKP-UHFFFAOYSA-N 417.514 0.629 30 20 HCED C=CCN(CCOC)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 482405839 PUAHFIHDMCCMNX-UHFFFAOYSA-N 409.508 0.814 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)COc1ccc(F)cc1 483123474 PHHVEIBQNCTNJJ-CJNGLKHVSA-N 421.450 0.920 30 20 HCED Cc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1S(=O)(=O)NCC#N 488877888 OTJIBWIGSSLPGY-INIZCTEOSA-N 406.508 0.591 30 20 HCED CCOc1ccnc(N2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)n1 492752626 WQEBTOLZMHDYIT-UHFFFAOYSA-N 412.454 0.663 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 498434923 LUPVKALEAQTIIA-KRWDZBQOSA-N 421.567 0.882 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 502254072 MEBJLADTFJGYHV-OKZBNKHCSA-N 414.462 0.086 30 20 HCED N#Cc1ccccc1CSCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 502918884 BTPBIWSNSSTFBN-IRXDYDNUSA-N 421.544 0.943 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3C(=O)CCNC3=O)c2C)C1=O 504211817 JWURLSIAMNPFKR-UHFFFAOYSA-N 413.390 0.357 30 20 HCED N#CCC1(O)CN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 506397715 QJEQKZAJZGPXFO-UHFFFAOYSA-N 423.491 0.783 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 507091721 XJVAXDKSDMATEY-UHFFFAOYSA-N 401.463 0.739 30 20 HCED C=CCOc1ccc(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1OC 508387746 JNRMKSJBWJXECX-CVEARBPZSA-N 410.492 0.176 30 20 HCED CCOC(=O)c1c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc(OC)c(OC)c1OC 513041494 MEWOZXSAVGINBP-NSHDSACASA-N 421.406 0.579 30 20 HCED COc1cc(OC)c2ncc(C#N)c(N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1 519826942 NDJXSWDRICJRIS-CYBMUJFWSA-N 418.475 0.863 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(C(N)=O)cc1 522530530 IWKRITAETFNFDO-UHFFFAOYSA-N 410.480 0.308 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)o2)c1=O 523477616 IXMJGAUZZBNFAA-UHFFFAOYSA-N 417.487 0.210 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)NCCc3nc(N)no3)[nH]2)c(Cl)c1 541145277 XMOVGTUQUDJPOR-UHFFFAOYSA-N 400.786 0.082 30 20 HCED COC(=O)CCCc1n[nH]c(=NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)s1 542810067 IEARAZSCARJYMS-UHFFFAOYSA-N 406.472 0.729 30 20 HCED COC(=O)CSCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543921146 COHQPGXQZJHSIH-UHFFFAOYSA-N 405.411 0.844 30 20 HCED CCCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 545296223 UTIBVIRWQXCOJL-UHFFFAOYSA-N 408.480 0.826 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 552166356 UXUUOFZVDVBKQN-AWEZNQCLSA-N 417.897 0.987 30 20 HCED CN(C)c1nc(N)nc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 552966261 RCMMHMIGLVPEHB-UHFFFAOYSA-N 424.444 0.661 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)C2=O)cc1 554692034 OUXPGFTZBYCUEF-VHQAFBCOSA-N 408.458 0.398 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(N2CCCC2=O)c1 559888006 MQZCJNSDSUKAGQ-UHFFFAOYSA-N 423.477 0.698 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cnc2n1CCCC2 560211389 GWJCFHLZZFILMS-UHFFFAOYSA-N 404.434 1.235 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H](c4ncc[nH]4)C3)C2=O)cc1 561377332 WHLNGRXNINGVAD-ZWKOTPCHSA-N 420.473 0.905 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)c2ccc3c(c2)NC(=O)CO3)c1=O 563853833 KYKMTIVFDSJHQB-UHFFFAOYSA-N 408.414 0.766 30 20 HCED CC(C)C(=O)N[C@@H](CO)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 565615507 GRHAWVOSYGXPIV-KRWDZBQOSA-N 416.457 0.647 30 20 HCED Cc1nc([C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)n[nH]1 576511321 SZODDIGLAZXDPX-CYBMUJFWSA-N 405.422 0.910 30 20 HCED N#Cc1nc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)[nH]c1C#N 579044499 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N#Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)cc1 727009995 IDGXUKABYKBLHK-UHFFFAOYSA-N 401.400 0.362 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)Cn1ccc(=O)n(C)c1=O 731075263 YAVBPQBCIVFDHO-CYBMUJFWSA-N 416.459 0.981 30 20 HCED C#CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC1 733162441 PJFDHYZULSZNDM-UHFFFAOYSA-N 411.911 0.752 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 737860750 ZHCNPTVBRDHDBT-UHFFFAOYSA-N 406.443 0.989 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1 747991586 JMFCDSFWRDURHN-UHFFFAOYSA-N 418.881 0.968 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCO)C2CC2)cc1 749742100 RSYIDMLMLVGUHR-MXVUGKIDSA-N 422.507 0.715 30 20 HCED COCCN(C(=O)CON=Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 754276864 SJZYWZGGWJDZHS-OAHLLOKOSA-N 414.480 0.716 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)C2=O)cc1 754707502 QHVPHCWESRFNPA-FHWLQOOXSA-N 419.441 0.746 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 760299749 CBSOXSYHOMCJBS-INIZCTEOSA-N 418.450 0.658 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccn(C)c2)c1=O 763433072 CJXCSMDFXXDORE-UHFFFAOYSA-N 413.547 0.325 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 764064932 OTSLSIXLYPWLOB-UHFFFAOYSA-N 401.847 0.728 30 20 HCED Cc1nc([N+](=O)[O-])c(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)n1C 771465537 XQDWILGMJYLZCQ-UHFFFAOYSA-N 403.380 0.925 30 20 HCED COC(=O)N1CC(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 771756549 UWXNBULJKGALPA-CQSZACIVSA-N 408.480 0.707 30 20 HCED C[C@@H]1CCCC[C@@H]1N1CCC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 771896556 CFABQQWYKXQDTH-HIFRSBDPSA-N 411.528 0.393 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)O)c1 776688911 SFPMZJULSGGSGG-QGZVFWFLSA-N 420.418 0.999 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CSc3ccc(S(N)(=O)=O)cc3)nc12 783300243 AMMDRKCVVRKUMQ-UHFFFAOYSA-N 419.444 0.789 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)c1 783463417 ADEDRQQYENINAJ-UHFFFAOYSA-N 403.402 0.645 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)n1 789788874 WYUPIUOCBGMPER-UHFFFAOYSA-N 413.434 0.238 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 795729890 ZQXRSKLMQCDZPG-UHFFFAOYSA-N 407.492 0.608 30 20 HCED CSCCONC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 797376182 LKGDDEMGFXFTHC-RGEXLXHISA-N 414.509 0.849 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)n1 799265736 JWZOVFFWGCAWMH-UHFFFAOYSA-N 400.361 0.652 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CCO1 800080146 RFDBQPWNGWWYIL-MELADBBJSA-N 404.489 0.070 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NN3CC(=O)NC3=O)c2)c1 807061833 FJOJWLZWQVGEJT-UHFFFAOYSA-N 420.381 0.395 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2COC(=O)NC2CCCC2)CCO1 809857682 NELADQQZDZLCSR-JKSUJKDBSA-N 400.501 0.979 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 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N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C(=O)Nc3cccnc3)C2)CC1 1779486737 MEYCREADNRCPCH-IIBYNOLFSA-N 411.462 0.838 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(OC)n(C)n3)C2)C1 1780435321 TVWASKQQYMVDSJ-FQEVSTJZSA-N 420.466 0.382 30 20 HCED CCNC(=S)NCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781398724 XCKIVBRUMOXIRT-KDOFPFPSSA-N 413.544 0.101 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781779389 KOERZWWCDIULBP-ZFCANOHDSA-N 408.499 0.437 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c(Cl)c1 1781973514 ZGKPTGSMDZKGLM-XOBRGWDASA-N 416.865 0.791 30 20 HCED COc1nccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1F 1782010297 JEGYGBHRAOQBNU-JLTOFOAXSA-N 419.409 0.445 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1782579670 RHZCOZXVLYSVMI-QEVIJRNUSA-N 424.461 0.260 30 20 HCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3Cc4[nH]nc(C(F)(F)F)c4C3)C2)C1 1782846781 PJEXHXWJZGKYCN-GTNSWQLSSA-N 411.384 0.887 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782958692 IFIFTYGVADMOEO-ONESAOPHSA-N 423.491 0.106 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)O)C2)C1 1783527526 CJPSLOFBZQDWLA-SORVUCRQSA-N 423.510 0.667 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)C3CCC(O)CC3)C2)C1 1784140993 HRYIZAPOJUMSDH-BPZDKFOGSA-N 406.527 0.649 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCC(C)CC3)[C@H]2C1 1784317271 BKKDEDHHCOAILQ-FYQPLNBISA-N 405.539 0.736 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)CC)C[C@@H]21 1788570003 JMKIASSZFWQTOI-WOYTXXSLSA-N 409.527 0.454 30 20 HCED C[C@@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1789876822 MHPJDHZKQZUQMN-XIVBQZFQSA-N 417.893 0.806 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccncc3)[nH]n1)C2 1793345568 WRVCMXWMNRESKL-DFYYWFRZSA-N 423.473 0.713 30 20 HCED 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N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc3nccnc3c2Br)n1 508343745 RCMNZQUOKMXOBG-UHFFFAOYSA-N 415.211 0.610 30 20 HCED CC(C)OC(=O)c1c(NC(=O)C(=O)NCC(=O)NCC#N)sc2c1CCCC2 508958593 FIHNYYGYVCIIHP-UHFFFAOYSA-N 406.464 0.887 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 509017514 RVWBUCRULXRQIL-UHFFFAOYSA-N 413.356 0.236 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 512435030 DLKCZIWOFYMLOV-MSOLQXFVSA-N 405.524 0.830 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1C 513359602 ODWSBMXPPUAFKJ-UHFFFAOYSA-N 420.470 0.366 30 20 HCED C[C@H]1COCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 513975346 BHCCRRUJEYRYHG-MRXNPFEDSA-N 406.508 0.359 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 538096540 POVUZXAQOQMFHR-UHFFFAOYSA-N 423.429 1.000 30 20 HCED COC(=O)CCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1 540479882 CTSVHRXLFNLHJH-HNNXBMFYSA-N 418.498 0.073 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 542298142 GZXRLFSDZDBECL-UHFFFAOYSA-N 411.422 0.151 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)n(CCC#N)n1 548461300 YLHJKHVYHBQBRP-UHFFFAOYSA-N 408.484 0.117 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C3CC3)[C@@]3(CO)CCCO3)CC2)o1 550140807 JZSHURMTXLJKNR-ICSRJNTNSA-N 403.483 0.413 30 20 HCED COCCN(C)CCN1C[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1=O 552106893 UNMOXJGVFYRXDV-QGZVFWFLSA-N 410.478 0.653 30 20 HCED C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 552658594 OSVNNJQVTHRVDJ-RDJZCZTQSA-N 406.508 0.814 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCc3c(OC)cccc32)CC1 553461575 WQURVJQKFKHQBE-QGZVFWFLSA-N 400.479 0.245 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1O 553895070 LQCBUDSXCKCONT-QZTJIDSGSA-N 402.495 0.493 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCn4ccnc4C3)C2=O)cc1 554694431 IOPIPCSJIMZJFJ-SJORKVTESA-N 406.446 0.103 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 555253090 XVZOXPPMJANTIN-UHFFFAOYSA-N 415.542 0.835 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1=O 555283386 ITLGIJWFKJIKHP-UHFFFAOYSA-N 409.402 0.959 30 20 HCED C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 559723346 UOOZKAQLWJNDJP-INIZCTEOSA-N 411.506 0.766 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCCC1 560008444 NPATZLWIRHARPE-QFBILLFUSA-N 411.506 0.623 30 20 HCED COCCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 563832169 ACGCCNRUTDOLQL-MSOLQXFVSA-N 414.462 0.039 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)Cn2cncc(C#N)c2=O)CC1 569586359 UQAILFDGNNJRMJ-UHFFFAOYSA-N 408.462 0.515 30 20 HCED N#C[C@@]1(NC(=O)CN(CC(=O)N[C@]2(C#N)CCOC2)Cc2ccccc2)CCOC1 569779216 SYHADTJLTYUVKN-SFTDATJTSA-N 411.462 0.086 30 20 HCED COCCn1cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 570846678 MDHWRAPFPPIOMS-SFHVURJKSA-N 424.461 0.329 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 574183424 JLRLSCZRQIJWEN-QGZVFWFLSA-N 422.507 0.588 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c1C#N 576020890 KIBXRAVCVBVHDX-UHFFFAOYSA-N 418.479 0.553 30 20 HCED CCOC1CC(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)(N2CCOCC2)C1 576220789 VFNZYTAYSHXAOX-UHFFFAOYSA-N 419.530 0.707 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 577905204 NSRCSOHMIDPVAT-UHFFFAOYSA-N 408.461 0.264 30 20 HCED CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 588110549 IFNHKEZJCPUCEF-UHFFFAOYSA-N 415.313 0.763 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 589380043 USEIKERWOCPPLS-UHFFFAOYSA-N 418.479 0.622 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 592769816 KXZGCYOPPUEILH-UHFFFAOYSA-N 404.492 0.698 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)OC)c2nc3ccccc3o2)C1=O 609091063 SEBVRJWBRWRUGU-UHFFFAOYSA-N 414.374 0.701 30 20 HCED C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 609204039 JHMUWGZYDDUQRP-OAHLLOKOSA-N 403.483 0.011 30 20 HCED CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(C#N)CCOCC3)CC2)c([N+](=O)[O-])c1 609449419 BWTUFWMBEVIGHE-UHFFFAOYSA-N 422.463 0.967 30 20 HCED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 609955244 OSKNJPSVPWCJME-OAHLLOKOSA-N 415.450 0.137 30 20 HCED N#CCC1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 611677764 DDOJDDUIRWMSIG-HOCLYGCPSA-N 422.463 0.871 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 615955912 KOJMZPXHLMWEAW-UHFFFAOYSA-N 402.480 0.518 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC1 673244537 FLFKRHNXODRNSA-MRXNPFEDSA-N 405.524 0.465 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 728572099 VGYOTVBZXNLMJS-UHFFFAOYSA-N 420.514 0.696 30 20 HCED COc1ccc(OC)c([C@@H](O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732466528 OOBZHFQIIHGUNO-DVEDPGPFSA-N 404.423 0.563 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cn1 732669440 XHFZOHQQYWVNOF-UHFFFAOYSA-N 412.415 0.793 30 20 HCED CCc1ccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1 732910638 RLMBHHQRNSXQSG-NVXWUHKLSA-N 417.487 0.568 30 20 HCED NC(=O)c1ccn(-c2ccccc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 733885773 RHIPWWXMFHEXEV-UHFFFAOYSA-N 424.442 0.648 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 742908093 SXZNKIWQFZSUMC-CXAGYDPISA-N 415.475 0.255 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCCN1CCC(C(N)=O)CC1 743884351 MRLRQXKZTZPCRP-UHFFFAOYSA-N 418.469 0.870 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 744633777 WPMBIDUMRSYYTG-INIZCTEOSA-N 416.459 0.684 30 20 HCED CN(CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)C1=NS(=O)(=O)c2ccccc21 746265734 HZMZHUZCUNLKLG-SFHVURJKSA-N 404.448 0.419 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)CC1 747738102 PGBCSPIPNVDKNZ-UHFFFAOYSA-N 408.524 0.657 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)C1=O 752320587 PUEDYSIEOAUZHH-OLZOCXBDSA-N 408.455 0.725 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COCCNC(=O)OC(C)(C)C 757060518 OXMDUIRFXYBXPY-CQSZACIVSA-N 404.471 0.927 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)[C@H](C#N)C1 758605765 SPKOPKKDDQABAX-MGPQQGTHSA-N 415.516 0.469 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 758646125 VMBZZBICICSEIP-BXUZGUMPSA-N 410.452 0.906 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 762524422 NDTUTBQLZYNFEJ-AWEZNQCLSA-N 402.382 0.271 30 20 HCED C[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 764681358 AWEOWZMVEORJKQ-NJZCHHPOSA-N 422.507 0.979 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CCN1c1nccn2cnnc12 771240771 QXHYGJLNVVILID-CQSZACIVSA-N 420.433 0.702 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(C)C(=O)C1 774293558 TVGAWJWFIDITME-ZDUSSCGKSA-N 406.464 0.111 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777448247 KQBHEHVHEFZXBA-CQSZACIVSA-N 410.521 0.646 30 20 HCED C#CCOc1cccc(Cl)c1CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 779147886 PSPWRCPSVSNPQO-UHFFFAOYSA-N 405.882 0.855 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779636603 ZDVGYFPTRFALHL-CYBMUJFWSA-N 417.484 0.512 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)cc1C#N 782003836 FGKQMHHCJVDFHR-AWEZNQCLSA-N 403.395 0.039 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 782905334 HZQJXSJOLGSDTC-WMZOPIPTSA-N 420.487 0.832 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl 783616650 OHKNMIDBSDCPQA-LLVKDONJSA-N 409.917 0.509 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 787930891 UESOSJLWLKGLHJ-LBPRGKRZSA-N 412.406 0.769 30 20 HCED Cc1cc(C(=O)O)cc(S(=O)(=O)NCCn2cnc(C#N)n2)c1Br 794840682 KMZFLXNFJUYBEF-UHFFFAOYSA-N 414.241 0.897 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3cnccc3C#N)CC2)CC1 795040752 FUXFTCMHIXZKQR-INIZCTEOSA-N 400.483 0.764 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1 800921984 HGIVHZKHBDSNCY-ZDUSSCGKSA-N 417.509 0.343 30 20 HCED CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOC)CCN2C1=O 802433480 WAASIVZJLGYSKF-INIZCTEOSA-N 409.450 0.936 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)CC1(C)OCCO1 807419579 AYUWWSYHYAXJLC-OAHLLOKOSA-N 401.467 0.507 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CNC(=O)C3CCCCC3)CC2)o1 914684010 SLIRBQXOWRMXPE-UHFFFAOYSA-N 417.466 0.743 30 20 HCED Cc1nn2c(=O)c3ccccc3[nH]c2c1C=NNC(=S)NCCN1CCOCC1 918708611 SCPAKIKHDWFCMD-UHFFFAOYSA-N 413.507 0.614 30 20 HCED CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 920974034 MQJYVYWJMBAZKH-UHFFFAOYSA-N 412.487 0.764 30 20 HCED CCS(=O)(=O)c1cc(Cl)cc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)c1 1212176838 IMKYJFDBMYLTRK-ZDUSSCGKSA-N 407.901 0.692 30 20 HCED C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CN(C)CCN1C 1256466838 VSZCYZGQYHHFMJ-WMLDXEAASA-N 401.515 0.890 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301966569 VWHLNFHAPILYQE-ZIAGYGMSSA-N 404.500 0.612 30 20 HCED COC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)o1 1319860699 QPFFPIWQHDNXFL-UHFFFAOYSA-N 402.363 0.740 30 20 HCED Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 1319891220 UGGADHXUMRHFFU-ANTVTUJRSA-N 402.455 0.544 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1341083297 UOJOXFOURNOJBZ-MRXNPFEDSA-N 404.492 0.699 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 1451616359 JFZGGYCRPMQYLK-KRWDZBQOSA-N 410.517 0.899 30 20 HCED CN(C)CCN1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1503401785 SPKYBBFGNGBJIF-MOPGFXCFSA-N 417.558 0.784 30 20 HCED CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503943458 ZROHSKSGVLDPME-FMKPAKJESA-N 408.528 0.392 30 20 HCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ncc1C#N 1563136680 TYIRIBKANHUYKB-HUUCEWRRSA-N 422.511 0.765 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593872632 JUJPVSQOVZYJGE-CQSZACIVSA-N 409.922 0.628 30 20 HCED C[C@@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1595711500 RZHUZYBCURGGLC-HNNXBMFYSA-N 422.507 0.528 30 20 HCED 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CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C 56016036 LNEOTMHPPALOSP-UHFFFAOYSA-N 406.446 0.697 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2ccc(Br)cc2)CCO1 410399738 GFRAVIDCXYDZEC-UKRRQHHQSA-N 418.313 0.659 30 20 HCED CC(C)CN1C[C@@H]2CN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CCN2C1=O 427353940 DPWGTURZUDVEAL-HNNXBMFYSA-N 415.498 1.053 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[S@](=O)C[C@H]2c2cnn(C)c2)CC1 429795373 ZDZYDOHWKIUMOE-RAALOAAWSA-N 406.556 0.218 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)nc1 430986815 FBWTZMLQGPHYCM-UHFFFAOYSA-N 410.499 0.700 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)[C@@H](C)CC#N)cc1S(=O)(=O)N[C@H]1CCOC1 435021468 QCVCEXYNXCUVRC-JSGCOSHPSA-N 424.479 0.461 30 20 HCED COC(=O)[C@@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C 439449765 IXJPEWOQXRGODV-KRWDZBQOSA-N 407.492 0.822 30 20 HCED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 443514761 YQCPGBIEJDWCGW-KBPBESRZSA-N 419.482 0.335 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)n1 444510513 MUUYQSONFZXVKS-UHFFFAOYSA-N 422.489 1.429 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 460685432 AJSQEROXDHPFMI-OIISXLGYSA-N 406.446 1.460 30 20 HCED C[C@H](C(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21)n1cnc(C#N)n1 467585527 BVMAPFAGWGZDNP-GFCCVEGCSA-N 424.446 0.891 30 20 HCED C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468186345 LWBKJNQUDYWHGC-ZVEIASASSA-N 409.446 0.153 30 20 HCED CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cnn(C)c3C#N)cc2)CC1 475592619 YSMNSCDNZGTBLD-UHFFFAOYSA-N 424.505 0.807 30 20 HCED CCCN(C)C(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481234278 YKDUQFWYHYICFB-CZUORRHYSA-N 424.548 0.995 30 20 HCED N#CCCn1cc(C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c2ccccc21 482066604 GIIMYECMKAUBMQ-INIZCTEOSA-N 408.418 0.765 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 486011337 UTIRJMJRTCHQOC-MRXNPFEDSA-N 413.459 0.392 30 20 HCED COC(=O)[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@H]1c1ccc(Cl)cc1 490527996 PUFRBFGCHJGIHD-HRCADAONSA-N 413.883 0.998 30 20 HCED CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 492170597 XMUPJCCFUDAWHY-UHFFFAOYSA-N 422.507 0.530 30 20 HCED COCCN(CC(=O)N(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504690450 OXYIWBLJWXQQAZ-INIZCTEOSA-N 415.450 0.326 30 20 HCED C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 506183813 STKRTQBCRIRZKH-UHFFFAOYSA-N 409.446 0.838 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)n1 508303054 DLPBCUIBTXVZBX-UHFFFAOYSA-N 404.390 0.552 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCN(C)CC1 511114807 JJOWVMXCSXLBHF-INIZCTEOSA-N 405.524 0.027 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 512367005 GFQGSEXCDZELAG-LSDHHAIUSA-N 423.481 0.497 30 20 HCED Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)C2)cn1 515419640 OIFVPCAOTZZGMI-KRWDZBQOSA-N 421.505 0.984 30 20 HCED CCS(=O)(=O)N1CCC([C@@H](C)N(C)S(=O)(=O)N(CCC#N)CCOC)CC1 516889976 VCRYIKUJEATGSD-OAHLLOKOSA-N 424.589 0.475 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 517336583 DYODJUMRIZSXKR-UHFFFAOYSA-N 406.446 0.942 30 20 HCED CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)CC1 518517369 TVYWENFJEUOLJQ-INIZCTEOSA-N 420.491 0.797 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 522166536 ZCTWDVWDJPZMQA-UHFFFAOYSA-N 423.495 0.972 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCOCC 531131951 MSZLHFROCNRICA-UHFFFAOYSA-N 416.528 0.909 30 20 HCED N#Cc1ncn(CCNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)n1 553970596 UZAPKAHKKLHASN-UHFFFAOYSA-N 415.838 0.220 30 20 HCED CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCn1cnc(C#N)n1 560756583 QOVLBDMFBBPJBF-JTQLQIEISA-N 407.412 0.319 30 20 HCED CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 568145570 BOLKIIVWFKEWGZ-INIZCTEOSA-N 409.450 0.937 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3cc(OC)ccn3)CC2)CC1 569602312 PNORTLKZSHXZIG-UHFFFAOYSA-N 401.511 0.896 30 20 HCED CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1(C)C 572654046 QWYBZLYENXZETM-QRWLVFNGSA-N 412.450 0.760 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(C#N)cc1 604143437 XJYDWSMLYGZTAH-LLVKDONJSA-N 406.402 0.320 30 20 HCED Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 604270352 WSTVKXLTFYVOEX-UHFFFAOYSA-N 424.526 0.397 30 20 HCED C=CCN1CCC(NC(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 605887078 ZFEYPXWSDSJLTF-UHFFFAOYSA-N 409.512 0.483 30 20 HCED CN(C)CCN1C[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1=O 610421399 WNUCMTBNSUXZLQ-MJGOQNOKSA-N 401.486 0.945 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 610684289 IMYOVSMWVXUUOW-SJORKVTESA-N 412.542 0.737 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 611581520 ONIXYAUVIKPFSS-ZDUSSCGKSA-N 410.482 0.815 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 725764045 GJRJKNFGDQLSTG-UHFFFAOYSA-N 415.471 0.999 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O 726042418 IKRHXBRUIHMGLD-LLVKDONJSA-N 418.362 0.750 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727011130 YXPVNOKMQQAUJJ-CQSZACIVSA-N 416.434 0.520 30 20 HCED CCCCCNC(=O)[C@H](C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727232874 AEMJYMYPXQUKGN-SNVBAGLBSA-N 423.271 0.908 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 728571152 WSXSTEZBTJSRTE-UHFFFAOYSA-N 422.411 0.887 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)COc1ccc(F)c(F)c1 732467703 WVHLHWJEPBDBBV-QZAQEVDKSA-N 410.377 0.530 30 20 HCED CN(C[C@H](O)COCc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732891624 PIBFXBIKUJNEEW-RUNIHZNKSA-N 402.451 0.732 30 20 HCED C[C@H](CS(C)(=O)=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 733287234 KEOSPKCHGWTMOW-CYBMUJFWSA-N 415.537 0.835 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CN1C(=O)C(=O)N(C)C1=O 733566069 ZHGACGDBAFMXCE-LLVKDONJSA-N 418.431 0.983 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2=COCC2)CC1 734194151 ROCSBKXOUSQTTE-UHFFFAOYSA-N 405.432 0.239 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 741782989 PKZRYHNCVJTQTQ-INIZCTEOSA-N 411.275 0.482 30 20 HCED N#Cc1cccnc1NCCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 742249250 SMLLMDOEHVDJAZ-INIZCTEOSA-N 420.429 0.412 30 20 HCED CC(C)N(C)S(=O)(=O)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744112940 MOLQEPIVUJQOKT-NSHDSACASA-N 402.498 0.205 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 744394248 FITOBZSWOCDNJE-OAHLLOKOSA-N 402.470 0.581 30 20 HCED CC(C)CNC(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748749212 FMJFYRRTMYLSQL-CQSZACIVSA-N 424.548 0.789 30 20 HCED CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 757888740 ALQPIGGGXQSMTN-UHFFFAOYSA-N 407.464 0.624 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C#N)nc2)cc1 759798524 YRUUXCDMWZJPFW-UHFFFAOYSA-N 423.472 0.520 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)c1cc[nH]n1 770822685 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0.902 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2 1836419592 NZQNBNUBDGKULE-NRFANRHFSA-N 417.462 0.756 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 1836861407 VWZDZBFRYCLRGN-LPHOPBHVSA-N 419.522 0.644 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)CC1 1836864790 NIOZBHODSLMMQF-MAUKXSAKSA-N 407.511 0.855 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836944941 SDDYNMIXKYVHEN-YJYMSZOUSA-N 404.492 0.951 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1837402149 DENUHBHHXRALLP-LLGFUMIMSA-N 420.510 0.474 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cscn3)C2)C1 1837440956 JBFOWUGDKDFNPO-JNQCIGHESA-N 421.523 0.685 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837662804 CEOUBKHNDFTXGQ-FQEVSTJZSA-N 405.499 0.727 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n[nH]3)C2)C1)C(F)(F)F 1839892635 XZCYTHXLESQWQA-OAHLLOKOSA-N 404.345 0.304 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=C)C(F)(F)F)CCO2)C1 1839893169 QQYKFOGCJJJWOQ-GUYCJALGSA-N 419.400 0.252 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1840157916 DQIALUJTUZBHST-IFXJQAMLSA-N 419.507 0.206 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840160407 GQNBRDICMYCAKK-DJJJIMSYSA-N 408.524 0.297 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1840294674 IQGMNHCWAUVMHF-OAQYLSRUSA-N 420.506 0.980 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(NC(C)=O)o3)C2)C1 1840842596 PSAAMBCMSKUXGY-HXUWFJFHSA-N 403.435 0.721 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843130707 RNKWVZFLAWDYSN-GFCCVEGCSA-N 423.495 0.456 30 20 HCED CC(C)(C#N)C(=O)N1CC2(CCCN2C(=O)c2ccc(CS(C)(=O)=O)nc2)C1 1843215148 LXAVHDODZNCZPO-UHFFFAOYSA-N 404.492 0.993 30 20 HCED CC(C)N(CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)C(=O)OC(C)(C)C 1846194521 MIBWSBQYRXRWRU-UHFFFAOYSA-N 407.467 0.923 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC12CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C2 1846979447 VSAGEXHKBRPXIP-UHFFFAOYSA-N 424.417 0.945 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)COc2ccccc2C#N)C1 1846980838 VKTYPGQUNNPWCY-HJWRWDBZSA-N 408.458 0.999 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)OC(C)(C)C 1847260224 QMNDZQYARWZLCP-MJDAYYQESA-N 420.510 0.960 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1c(C)nc2ncccn12 1847262259 ROUWXZWQSLBNFS-XFCCUVRLSA-N 408.462 0.712 30 20 HCED O=C1CN(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=C/C(=O)c2cccs2)C(=O)N1 1848067537 BWAATXZXWRFKMR-GFSGRHGLSA-N 416.459 0.241 30 20 HCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NC(C)(C)C 24072139 PPSHUUWCAUFJLQ-NSHDSACASA-N 410.452 0.393 30 20 HCED Cc1nc(C)c(C#N)c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 29674590 CWCHTFKERBCKGF-AWEZNQCLSA-N 409.537 0.389 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)NC(C)C)CC2)c(OC)c1 53435064 JRDMPCLJVHNVOS-SFHVURJKSA-N 419.522 0.832 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)CCO1 410125832 QHXDDUDDZMUCPG-OCCSQVGLSA-N 409.386 0.504 30 20 HCED COC(=O)CCN(Cc1cccc(F)c1F)S(=O)(=O)N1CCO[C@@H](C#N)C1 410142685 MQRONCROUDPUAG-ZDUSSCGKSA-N 403.407 0.799 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCCNC(=O)C3CCC3)CC2)o1 429551137 ZWUGTTZIJNIZPL-UHFFFAOYSA-N 402.499 0.742 30 20 HCED COCCCS(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 432035284 UNXRMZQKLLHDAF-GOSISDBHSA-N 406.508 0.647 30 20 HCED C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 435199909 CFCIVAOPDUHNGP-ADLMAVQZSA-N 403.826 0.992 30 20 HCED CCS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 440182134 JRXOIBNFDGHJSL-UHFFFAOYSA-N 417.491 1.558 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)n1 442372885 IWNGGJUIDFSADN-BBRMVZONSA-N 424.436 1.339 30 20 HCED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](NS(=O)(=O)N(C)CCC#N)C1=O 442790372 INIGSAGBSXLEKH-KBPBESRZSA-N 402.517 0.633 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1CC(C)(C)O 445205480 VBWVFYKVJNWCLF-AWEZNQCLSA-N 411.466 0.381 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 462020468 MRCTUDXHHJPJFV-HUUCEWRRSA-N 417.495 1.287 30 20 HCED CCn1cc(CN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 477400008 QFNCLOPQYDKUOL-CQSZACIVSA-N 405.480 0.463 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)CN(CCC#N)CCN2CCOCC2)cc1 478038079 ALZYLRYHAPATNM-UHFFFAOYSA-N 408.524 0.254 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC(N)=O)Cc1ccccc1 482154088 SRKFVDIWKZBXAV-CQSZACIVSA-N 400.460 0.739 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 485740030 VJPQNIRFXMIWJY-WMZOPIPTSA-N 418.519 0.679 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484600 TWXBPHHLNUOYFF-GUDVDZBRSA-N 416.478 0.779 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc3c(cc2F)NC(=O)CC3)c1=O 488748522 BVHDTWATXWVPNR-UHFFFAOYSA-N 414.393 0.450 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1 491646664 FGAGPWXVBKXGAD-GOSISDBHSA-N 407.430 0.890 30 20 HCED C[C@H](CS(C)(=O)=O)N(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1CC1 499348568 KDPFNYKEWNYHDQ-CYBMUJFWSA-N 413.521 0.603 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503874663 QUYBOOFDHNIAHI-KRWDZBQOSA-N 420.491 0.773 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2=O)cc1 504195611 QVGFFCYNDCWPLR-RTYCURFASA-N 422.441 0.332 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 506736760 HKPQAYJWEGHQDS-ZIAGYGMSSA-N 408.480 0.730 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1 506756382 LXTKHLIHOCXZMV-CYBMUJFWSA-N 410.500 0.404 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H]2CCN(C)C2=O)cc1 507409493 VRCXHHCOZXEGHF-HNNXBMFYSA-N 408.480 0.121 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)n1 508001080 MSWJVULJVXZWTL-CWTRNNRKSA-N 415.454 0.427 30 20 HCED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C(N)=O)C1 508746041 IXTQMZFEXQRYCJ-CYBMUJFWSA-N 419.511 0.423 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Cn2ccnn2)CC1 510985061 LSYYVYMGNHKKQE-CQSZACIVSA-N 402.480 0.755 30 20 HCED N#C[C@H]1CN(C(=O)CSCC(=O)N2CCOCC2)CCN1Cc1ccccc1 511789454 CMVWARMDHBLOMC-SFHVURJKSA-N 402.520 0.815 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 512594088 UCLOPBZECOOOQG-HXUWFJFHSA-N 412.538 0.959 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)cn1 513259918 DVYBFCVSNBNUSD-UHFFFAOYSA-N 422.424 0.904 30 20 HCED Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 516517290 LHAMXRZQMKPXGF-CQSZACIVSA-N 419.449 0.596 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F 518151959 WHYHSUFKKIJXSK-OAHLLOKOSA-N 418.516 0.778 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3(C#N)CCOCC3)CC2)cc1 518421686 QFZJTKIYGYURNX-UHFFFAOYSA-N 420.535 0.738 30 20 HCED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2 521096595 DKWJOJDMQNVQHU-GJZGRUSLSA-N 416.530 0.521 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)C1=O 521661642 HPRLPCROWMMSRR-LBPRGKRZSA-N 400.439 0.816 30 20 HCED CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 538059099 MEIIOKFYSQCUMP-UHFFFAOYSA-N 403.487 0.287 30 20 HCED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 538259033 UYFUOAAYYHRFIE-INIZCTEOSA-N 420.535 0.796 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)n1 539174836 CYMAXXVVYSMNDV-UHFFFAOYSA-N 418.479 0.841 30 20 HCED CN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCS(=O)(=O)C1 543940147 ZPFPCWLUVMYFJZ-LBPRGKRZSA-N 405.411 0.467 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NC[C@@H](O)COc2ccccc2)cn1 547306492 GHOJWRDIEISYFS-MRXNPFEDSA-N 406.402 0.634 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 548812415 ZSCVLAHGEFIYJO-GOSISDBHSA-N 411.506 0.646 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 551013592 YKHBUQSWQKPLLQ-UHFFFAOYSA-N 407.496 0.870 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1nc2c(s1)CCCC2 552958625 XROLTDFEAWEGML-UHFFFAOYSA-N 415.523 0.949 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1 553436583 FPDSAEDBWJMLAD-LIRRHRJNSA-N 420.491 0.744 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCC(=O)Nc3ccccc3)CC2)n1 554232894 MZFARUGEXCVJNX-UHFFFAOYSA-N 406.446 0.747 30 20 HCED CCN(C(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 555472084 XCTSDNGPOZPNDY-AAEUAGOBSA-N 402.469 0.895 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)Nc1sccc1C#N 556604969 KPQMUARUYSBSPN-UHFFFAOYSA-N 408.461 0.743 30 20 HCED COC1(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 561189039 FKRZFJJCLUFCQX-UHFFFAOYSA-N 420.535 0.892 30 20 HCED CCCn1c(=O)nc(O)c2c(C(=O)NCCn3cnc(C#N)n3)cc(C3CC3)nc21 561274953 IBCONSLOTZTQPJ-UHFFFAOYSA-N 408.422 0.678 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 561373415 CUAONYIQPWNNBG-DYVFJYSZSA-N 418.519 0.988 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)C1=O 568689735 RLDJZTXFXWYAKQ-OKZBNKHCSA-N 406.527 0.116 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 571840912 AZLBGVASEMPATI-ZDUSSCGKSA-N 408.256 1.081 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573024988 QZFMFFCVNAYKJH-ZIAGYGMSSA-N 409.450 0.841 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CC(N)=O 578488197 HLSUPYFBBXGIBJ-NSHDSACASA-N 417.462 0.661 30 20 HCED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2C(=O)NC[C@H]2C1 584542582 YAXBWEJUIHQXMS-AWEZNQCLSA-N 420.477 0.982 30 20 HCED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)C2 588036097 SKSSIZXFRLYEOA-KRWDZBQOSA-N 421.457 0.730 30 20 HCED CCOC(=O)[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)=O 590419174 DXMXHBWDYJNJEK-QGZVFWFLSA-N 421.475 0.550 30 20 HCED COc1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1[C@@]1(C)NC(=O)NC1=O 609850487 LWWCNIBIURYYGQ-QGZVFWFLSA-N 405.436 0.568 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 618740318 XPOZJXFUVJNHCO-OAHLLOKOSA-N 412.427 0.917 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(N)=O 732563774 DHJZGVONFLXZIZ-UHFFFAOYSA-N 401.492 0.120 30 20 HCED C[C@@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 733832768 ONGLDRWDIDWGSN-CJNGLKHVSA-N 414.418 0.554 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN1CCN(c2ccc(F)cc2)CC1 733889472 XOWUMOHVBAHJJB-MRCUWXFGSA-N 415.469 0.980 30 20 HCED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1COc2ccccc2O1 741340357 LUVNEIJCLMYINF-XEXOPBTESA-N 415.402 0.402 30 20 HCED Cc1c(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cccc1N1CCOC1=O 743878175 ZPALJXRCJOLEDU-UHFFFAOYSA-N 411.422 0.816 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 746267993 DCQIDABVUZMMRU-UHFFFAOYSA-N 421.475 0.969 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCNCC1 746285693 VPFITSFYQMGFAN-INIZCTEOSA-N 407.540 0.305 30 20 HCED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 754644350 JMHALFRTDUFIFG-MSUUIHNZSA-N 411.418 0.450 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3c2OCCO3)c1=O 758076629 PWLPLSRNURBKHZ-UHFFFAOYSA-N 409.467 0.342 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2nc3ccc(F)cc3s2)c1=O 763006473 FSDREBDWXSUADN-UHFFFAOYSA-N 413.459 0.773 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(CN3C(=O)NC(C)(C)C3=O)no2)cc1 763309605 ROYXPGUNYYMDDO-UHFFFAOYSA-N 403.420 0.479 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 766486637 FFYCDEHLQMACLH-UHFFFAOYSA-N 417.447 0.199 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 770750935 OZJKGKGBNKXLNF-WTAXECHQSA-N 404.373 0.960 30 20 HCED COC(=O)C[C@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCOC1 771657784 WDKKBWZDMRNEDZ-FZKQIMNGSA-N 409.464 0.454 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@@H]1CCCO1 773556156 HHXZLGHOWIBOAN-HOTGVXAUSA-N 417.491 0.760 30 20 HCED COC(=O)N1CCC([C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 776962256 QLVQSTYSXILCAM-GFCCVEGCSA-N 408.480 0.708 30 20 HCED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCc1cc(O)n3ncc(C#N)c3n1)C2=O 782324824 HJSIOOJRNKIEKS-JEOXALJRSA-N 412.406 0.850 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 786758093 JTPYYTMPGSTYNY-MSUUIHNZSA-N 401.379 0.894 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3ccnc3)nc2)n1 789793052 FSGBXPMAXZJKQQ-UHFFFAOYSA-N 407.434 0.711 30 20 HCED CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796714703 QYQRZKJJBGGIMD-GXTWGEPZSA-N 413.496 0.598 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)C1=O 799267703 UBEGUUBMUBDDEV-JWRCQZCYSA-N 421.519 0.766 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)C(C)C 799273189 RRPTZIBXTZLHIF-HNNXBMFYSA-N 406.870 0.871 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1 799287164 NLROZWYLBURNJJ-MRXNPFEDSA-N 409.508 0.734 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)c1 801688822 YKSSCNLJYUJVLP-UHFFFAOYSA-N 422.484 0.997 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 807381747 HEQXSNYIWQYNSO-UHFFFAOYSA-N 421.475 0.774 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 813983934 HQPBOLQHFULDKL-NSHDSACASA-N 406.342 0.921 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)COc2ccccc2)C(C)C)CC1 815378333 YTZKLFWNAJGSKS-NRFANRHFSA-N 414.506 0.100 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCOC 838213434 FRTFCZBPAVFRQV-UHFFFAOYSA-N 407.442 0.864 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCNS(=O)(=O)c2ccccc2)cc1 916737146 HLQNOGGGHWAQHT-UHFFFAOYSA-N 423.472 0.358 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1OC 916934385 GEGDTMBSALAOQK-LBPRGKRZSA-N 410.390 0.495 30 20 HCED N#C[C@@H](C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)C(=O)Nc1ccc2c(c1)OCCO2 916965566 HZOCFFXIKGQUAY-BCGVMYJISA-N 421.409 0.912 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 919014568 FNGSUZBCWKFMPH-INIZCTEOSA-N 412.446 0.610 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 921162022 SVBGTEJZMZPPGD-CYBMUJFWSA-N 416.459 0.154 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NCC(=O)N1CCCC1 1109735425 GFYHETFVOJJENT-ZBRFXRBCSA-N 404.511 0.038 30 20 HCED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1CC[C@](O)(CC#N)C1 1307873515 GQLIVMZITZAGLE-MRXNPFEDSA-N 401.510 0.061 30 20 HCED N#Cc1ccc(CNC(=O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1318084905 XGLVLRJSCBGBPS-UHFFFAOYSA-N 411.506 0.610 30 20 HCED CCOC(=O)C1CCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1339433020 OQIVGENMBHDIKH-ZCXUNETKSA-N 407.423 0.248 30 20 HCED CC1(CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1360833299 KZUQQPUAYARCOI-LSDHHAIUSA-N 424.527 0.530 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 1475479006 UYYLOVIJPXDIEH-BBWFWOEESA-N 401.577 0.880 30 20 HCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC(N)=O 1507785080 MTDQXEYWSUWAKR-QWRGUYRKSA-N 420.333 0.789 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1508422935 KHFVWYZNDPIHIJ-ZDUSSCGKSA-N 408.466 0.876 30 20 HCED CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1517568331 RZNQVJPNJVOJFV-UHFFFAOYSA-N 413.482 0.779 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1519165167 NPENZKWGQPGFGL-MRXNPFEDSA-N 406.487 0.397 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1521063811 VGTLWQXACBENEV-SUMWQHHRSA-N 410.475 0.496 30 20 HCED CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1585103953 KYJSHAHCQNAJLZ-CQSZACIVSA-N 405.455 0.924 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)CC1 1611253233 RGCODGZCEUAIOT-QAPCUYQASA-N 408.524 0.652 30 20 HCED CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1617794704 UAJPXGCYLJYBOI-UHFFFAOYSA-N 421.465 0.403 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 1626971955 SEJUUFRYYFISBO-RYRKJORJSA-N 407.492 0.685 30 20 HCED CN1CCN(C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1632340308 NWGUNKIHCVSNIW-UHFFFAOYSA-N 405.524 0.075 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1692554693 KSAFJYZRQZNMRG-UHFFFAOYSA-N 419.511 0.327 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1706077738 PNDGVYOHRKHHHF-ZNMIVQPWSA-N 412.516 0.386 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1729620247 MIOFBADNDDMSBH-QVKFZJNVSA-N 411.510 0.702 30 20 HCED CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNS(C)(=O)=O 1741370584 ONMCFIDPUHWLMY-UHFFFAOYSA-N 418.527 0.544 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4c(c3)CCCC4=O)C2)C1 1777927376 HIBOPZAAFFANNI-JOCHJYFZSA-N 410.426 0.737 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2C=CCN2)C1 1777974685 RKFBASNYSGCVIZ-CSODHUTKSA-N 405.495 0.538 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778722649 XMQOBIAAPVZYGY-OYHNWAKOSA-N 413.474 0.965 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1779020266 LOSRQXISYWOHFG-YWGRWDESSA-N 406.527 0.839 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780179616 GOLZORGHIRUKLA-YYFZDKIDSA-N 416.482 0.461 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)N1CCN(C)CC1 1781096829 JJPLMGDPDVAPIQ-DYESRHJHSA-N 403.527 0.146 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)ccc1F 1781300460 UHCDELVSUINHBX-IIBYNOLFSA-N 414.437 0.206 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1781390458 IUKGEGYTPPPTSL-KUHUBIRLSA-N 406.439 0.330 30 20 HCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CNC(=S)NCC)C1 1781474417 UYWTYAMBANRZQC-OXQOHEQNSA-N 408.568 0.788 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1n[nH]c3ccccc13)C2 1782010059 BQFKFJDIOUPSMD-IIBYNOLFSA-N 410.430 0.778 30 20 HCED CC(C)n1cnc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)n1 1782010449 VEKGDUKPMHGCSJ-AUUYWEPGSA-N 403.439 0.075 30 20 HCED COC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1783215900 RATGDAVCDUMNNT-CNZVFRIRSA-N 423.466 0.299 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC34CN(C(=O)OC(C)(C)C)C4)C2)C1 1783454511 XYANJEIRTYCCLX-YCRPNKLZSA-N 403.479 0.707 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCCO4)C[C@@H]21 1783683037 KECKAMKEIDDSJH-DZKIICNBSA-N 401.467 0.809 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783976172 SNHZNRHQBAOMAQ-QGZVFWFLSA-N 421.416 0.478 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784339314 FEOLORJHLMFIJR-NRFANRHFSA-N 415.494 0.197 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](COC)NC(=O)OC(C)(C)C)CCO2 1785422528 JUWNNVVXMSPKLR-KKSFZXQISA-N 423.510 0.769 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CN)c3ccccc3)[C@H]2C1 1786922136 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CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(=O)oc1)C2 1795597811 GAAFIOOOCCMYBV-SCAQPMJSSA-N 402.451 0.125 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C(C)(C)NCCC#N 1795602202 ABKRHOKCUWAMBX-MHORFTMASA-N 421.542 0.163 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccnn1CCOC 1797054414 PSFMMGNKCQPWDN-ZNDSHVIBSA-N 415.494 0.640 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1cccn1C)C2 1797712604 NPYNJJNFTXIBRH-FSDCSDTHSA-N 403.479 0.371 30 20 HCED COc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/N2CCCCC2)n1 1797738851 BLIPDGVVVIKPGJ-ADUKNNKPSA-N 415.494 0.765 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797934276 ZFOROXAFWVRRGU-ZQOJQMTGSA-N 403.479 0.590 30 20 HCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2)n1ccccc1=O 1797935384 GUMDXTWJWSATMM-AMVTXUCVSA-N 409.446 0.512 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cnccn3)C4)c2c1 1799883601 POJHFTGKWIWJEC-ZSBFGKGUSA-N 417.429 0.742 30 20 HCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)C#N)C2 1800952955 MTUSYYGDZVESEM-ZHCJQAHYSA-N 403.479 0.881 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C2 1800992591 NWLNOXNPUIVAFV-DFGXFYAUSA-N 423.510 0.265 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@H]1c1cccnc1 1803647873 IBNCQXFXMDSZFH-BSWAZPDLSA-N 417.466 0.997 30 20 HCED CC(=O)NCC(=O)N1CC[C@H](CNC(=O)C(C)(C)NCCC#N)[C@@H]1c1cccnc1 1807152039 YYMNXHMEILCEJU-MJGOQNOKSA-N 414.510 0.505 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)c2n[nH]c3c2CS(=O)(=O)C3)[C@H]1c1cccnc1 1807738891 GPQVWRQZJLPJCL-SCLBCKFNSA-N 413.459 0.186 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812881343 UDQRZHVLQDHQGB-AKCHCHLHSA-N 414.462 0.480 30 20 HCED Cc1cnn([C@H](C)C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1 1813386660 XAIRXRGNJPJYHP-MDYRTPRTSA-N 409.446 0.942 30 20 HCED CCN1CCC(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1814244599 KSEVORVVNQMRMB-WIYYLYMNSA-N 412.490 0.907 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2nc3ccccn3n2)n[nH]1 1817808427 SUTFESLVRWWFHA-ZDUSSCGKSA-N 407.390 0.846 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CNC(C)=O)CC1 1823748953 ABSZJMKUMSUACH-JTHGQSKGSA-N 404.511 0.601 30 20 HCED CCNC(=S)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1(C#N)CC1)CC2 1824498031 KOOMVFNTIJWGGO-SNVBAGLBSA-N 406.537 0.843 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)CS(C)(=O)=O)C3)C2)C1 1829661344 WFSCLVSTQHFLOW-KXBFYZLASA-N 414.524 0.090 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCSCC3)CCO2)C1 1829715991 HVURQPNOFHUXET-XLIONFOSSA-N 411.568 0.704 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)n3)C2)C1 1831396675 PCLKWRAINVISCR-YWZLYKJASA-N 405.426 0.329 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1831497272 BEHUFSCAIQJANV-YLJYHZDGSA-N 423.535 0.619 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1831497379 CBMFGGGCNRRBOI-SJLPKXTDSA-N 411.528 0.079 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1833473162 FACVFYVJSRZWHG-OAHLLOKOSA-N 415.556 0.194 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn3C)CCO2)C1 1833908271 FKDYHPLXGLNZOO-DYESRHJHSA-N 405.495 0.668 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1 1835345674 UBLIMZKSNITMIT-HXUWFJFHSA-N 416.482 0.407 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(CO)o3)CC2)CC1 1835925786 JUNUIKWMDTUPAO-INIZCTEOSA-N 417.506 0.995 30 20 HCED Cc1nc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)no1 1837156077 ALBFZIJCISLHIZ-UHFFFAOYSA-N 404.423 0.007 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1837441014 MXJMSFZJJNHETL-JNQCIGHESA-N 405.455 0.216 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1837668686 QYIPNGSFTFSDAO-VGOFRKELSA-N 421.538 0.961 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838345775 FEJWTATYLTUIQS-MGPUTAFESA-N 420.466 0.146 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838422315 XTQBYKPYZUFOAW-HXUWFJFHSA-N 412.450 0.349 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949425 BZGUSNOELADHSG-NQIIRXRSSA-N 401.463 0.645 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1839228961 VARMWTSVEFRJLF-UZLBHIALSA-N 422.482 0.783 30 20 HCED C[C@@H](CN)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(CC#N)cc3)CCO2)C1 1839362544 ZATPGLUNRZEHOP-HRAATJIYSA-N 400.479 0.417 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1)C(F)(F)F 1839892238 AVZGBSYIOMNPNB-HNNXBMFYSA-N 403.361 0.302 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1Cl 1840040658 RLRUHWNGOVBAPG-HXUWFJFHSA-N 420.849 0.806 30 20 HCED COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)C1 1840145408 GGJTUVYWFGOJLQ-RZQQEMMASA-N 407.467 0.336 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1840167007 PYWSXJUMERCSJU-OAQYLSRUSA-N 401.463 0.964 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCCn1ccnc1C)CCO2 1840390164 UIXCCHSDVAXPNK-OAQYLSRUSA-N 402.495 0.842 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccncc4O)C3)C2)CCC1 1840814431 IZDASLPGTADWBB-FQEVSTJZSA-N 400.435 0.551 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C2)C1 1840840506 CLSCLDSWVMDBDB-HRAATJIYSA-N 423.510 0.769 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)C2)C1 1840843999 YDIDXSZLGGUUDQ-FQEVSTJZSA-N 417.418 0.784 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](C(=O)N2CC3(CCCN3C(=O)CCC#N)C2)C1 1842813809 FCVOFSZUGPDZHN-HUUCEWRRSA-N 406.483 0.721 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)C2 1846368441 CJSRASGYQPYUHR-LLVKDONJSA-N 412.475 0.706 30 20 HCED C[C@H]1[C@H](C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CCN1C(=O)OC(C)(C)C 1847167463 WQAOSSAEWSAVTR-LSDHHAIUSA-N 419.478 0.923 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCc3cc(OC)c(OC)cc3C2)c1=O 8106461 QAQFTNKFRBBQKL-UHFFFAOYSA-N 414.462 0.577 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 25408685 GBIZVWLSIWKLGD-UHFFFAOYSA-N 400.888 0.658 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 62197167 CUYHLWQTGODMLW-UHFFFAOYSA-N 422.385 0.493 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CCO)c2ccccc2Br)CCO1 409489662 AVEUMJMQCYMXTO-FZMZJTMJSA-N 404.286 0.931 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC1CCC(C(=O)N2CCSCC2)CC1 410107975 VLRMGTGDSNHWJR-UHFFFAOYSA-N 418.585 0.817 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 432381429 OLMNVSQWARUGOG-UHFFFAOYSA-N 402.561 0.720 30 20 HCED C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 435201213 LRYWPIZLABAHKN-VOJFVSQTSA-N 403.826 0.992 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)C1 439316197 CJLYYMCNVHOTAD-XOBRGWDASA-N 402.499 0.774 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2ccccn2)cc1 439586326 KJJUKUVUXDYRMM-UHFFFAOYSA-N 423.429 0.865 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441646207 JXVYYMNCIZVSKT-UHFFFAOYSA-N 404.370 0.619 30 20 HCED N#Cc1cccc(COc2ccc(NC(=O)C(=O)NCCOCC(N)=O)cc2F)c1 441897637 FVUXVYXIIVVWCI-UHFFFAOYSA-N 414.393 0.833 30 20 HCED CC(C)c1nc([C@@H]2COCCN2C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)no1 442437000 KPXLBYJBDTWLMD-ZDUSSCGKSA-N 401.427 1.381 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)NCCCCN1CCN(CCO)CC1 443278077 CSLACPHOHQPNRS-UHFFFAOYSA-N 400.932 0.880 30 20 HCED COCCCN(CCOC)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460591102 GEBNGXFIBGACGW-UHFFFAOYSA-N 400.439 0.897 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cn1 460609725 VZCQPGQCEXXKAD-QGZVFWFLSA-N 415.413 0.999 30 20 HCED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 460720722 WYTRVAJEYBTQMY-SJORKVTESA-N 424.461 0.856 30 20 HCED CN1C(=O)CO[C@@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)[C@@H]1c1cnn(C)c1 471745353 PRHMQYANLVVHCJ-LEWJYISDSA-N 422.489 0.929 30 20 HCED N#Cc1cccc(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 472741498 VHSBQFAXDJRHEC-SFHVURJKSA-N 414.487 0.581 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C#N 477651164 DCQFRHJGFKERDE-UKRRQHHQSA-N 420.491 0.677 30 20 HCED COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1 478320223 NLLWDVVGXCAQAL-INIZCTEOSA-N 408.524 0.885 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 480690764 TXVIEYVDHNGLLC-OAHLLOKOSA-N 424.486 0.841 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccon3)c2=O)nc1 480948980 DFVMAXABNCWRDS-UHFFFAOYSA-N 421.482 0.775 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccon2)CC1 482424491 IVEGQMZHRZLRMS-CQSZACIVSA-N 403.464 0.557 30 20 HCED CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 484938551 ORMMQZSXJLXTIK-UHFFFAOYSA-N 405.411 0.515 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)N2Cc3ccccc3C2)cn1 484940518 ACCITYVLOCQXQK-UHFFFAOYSA-N 415.413 0.736 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C2CC2)c1=O 505698903 DMDKWCZECMNJPZ-UHFFFAOYSA-N 415.544 0.365 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)nc1 508472902 REVHRKJYQHQMDC-ZKBHFBTRSA-N 424.457 0.922 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1cc(C(=O)OC)n(C)c1 509258444 ZYMOHRGXGTVTPH-UHFFFAOYSA-N 409.424 0.899 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 511282886 BSKWAMZIDDTIDK-AWEZNQCLSA-N 416.463 0.315 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)n(C)c2n(C)c1=O 522265703 CXSQTLOIMVXSRC-UHFFFAOYSA-N 424.436 0.549 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2cccnn2)C1)S(=O)(=O)c1ccc(C#N)cc1 524046167 AHVPSZZCGUNXDF-MRXNPFEDSA-N 414.491 0.754 30 20 HCED C=C[C@@H](CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 535359874 CBJYVLDWZPKMQZ-SFHVURJKSA-N 406.552 0.983 30 20 HCED C=CC[C@@H](CO)CNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 538219729 ULHPGQFOAURKAR-MRXNPFEDSA-N 412.508 0.559 30 20 HCED CC(C)[C@](C)(CNC(=O)[C@@H](C)n1cnc(C#N)n1)NC(=O)[C@@H](C)n1cnc(C#N)n1 541212734 WCCHEKOAACOCSB-VFVRVIDISA-N 412.458 0.082 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)C2)nn1 544867469 BWWRXANFBAYHKI-GFCCVEGCSA-N 400.399 0.126 30 20 HCED C=CCSCCNC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 552193739 ZEPDKMVJEYFDJD-UHFFFAOYSA-N 405.524 0.272 30 20 HCED CN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 559016316 YOOZFVYOXHHHRR-UHFFFAOYSA-N 423.495 0.084 30 20 HCED N#Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)o1 561477519 PUIMRCKWCMRTIM-CQSZACIVSA-N 417.509 0.051 30 20 HCED COc1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 562484997 RDZAZASRVGEJFJ-UHFFFAOYSA-N 416.438 0.919 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)OCC)cc1 566592742 WFPUKOWRSPBEFH-CYBMUJFWSA-N 411.480 0.890 30 20 HCED CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)NCC(=O)NCC#N 578566574 YFNNRHVJCAENFS-UHFFFAOYSA-N 411.484 0.877 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCC#Cc3cccc(F)c3)ccn2)CC1 579738171 QACLVKZVKNKFRY-UHFFFAOYSA-N 423.448 0.715 30 20 HCED COc1ccc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1 580414945 YFXUSTLOXIIUAS-UHFFFAOYSA-N 420.433 0.812 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC2)c1C#N 589297478 RPVIOQPINUNTDZ-UHFFFAOYSA-N 421.570 0.057 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccccc1 603791081 VFFKKFDQEPDOAR-UHFFFAOYSA-N 420.494 0.619 30 20 HCED N#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 609332472 HPEWXOBRCPWKPR-QGZVFWFLSA-N 406.508 0.862 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCCS(N)(=O)=O 609955555 BXLMHIVKXGSUPU-UHFFFAOYSA-N 417.447 0.787 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)c1 642354850 MGNHCHZUTAFBHJ-MRXNPFEDSA-N 422.551 0.823 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725950763 GRJGHFUCZIHOEX-IRXDYDNUSA-N 416.409 0.600 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 728571106 VLXRAVFBCNIGCU-PZJWPPBQSA-N 411.550 0.133 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCCn2ncc(C#N)c2N)cc1 731771879 GHXZURWOYDEUPK-UHFFFAOYSA-N 420.451 0.159 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732416289 OOTOWIVFACYWQM-VLGSPTGOSA-N 415.406 0.237 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(=O)OCC)c2)CC1 735923810 YESRMZOMXPUYBA-UHFFFAOYSA-N 407.492 0.309 30 20 HCED CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 746020413 UEUMOACSSMEQBJ-XSKXUOKSSA-N 405.415 0.470 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 748809846 LOWPIJBYROJCBK-UHFFFAOYSA-N 424.954 0.424 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 750687755 OJKBQLUKHGKEFC-GFCCVEGCSA-N 410.390 0.651 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N(CCS(C)(=O)=O)C2CC2)C1 758758483 IGBKSONGYMUQLN-OCCSQVGLSA-N 400.501 0.964 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCCO[C@@H](C)c2ccccc2)CC1 761031934 FFLOBOUHZLSUQI-SFHVURJKSA-N 422.551 0.356 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=NN(CCO)C(=O)CC2)c1 765472383 OIJVVYGRSBFVLZ-LTGZKZEYSA-N 421.479 0.409 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=NN(CCO)C(=O)CC2)c1 765472384 OIJVVYGRSBFVLZ-PGMHBOJBSA-N 421.479 0.409 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CS(=O)(=O)C(C)(C)C)CC2)o1 767825522 KPESOBLCAFDDNG-UHFFFAOYSA-N 412.468 0.260 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)[C@H]1CCCO1 773556159 HHXZLGHOWIBOAN-HZPDHXFCSA-N 417.491 0.760 30 20 HCED CCOCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 773620228 XYNSGTFKLNQBFL-HKWRFOASSA-N 412.468 0.522 30 20 HCED C=CCNC(=O)CNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776904122 XWTXMKAHZRXJMF-HNNXBMFYSA-N 423.514 0.542 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C[C@H](NC(=O)OC(C)(C)C)CC1=O 782932417 JDOPKBFPFOLRAM-LSDHHAIUSA-N 415.498 0.942 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(F)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 783479014 IDISJHPLMBDQJW-GFCCVEGCSA-N 410.423 0.590 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)n1 789794740 JQAWSCIRBQQCMH-GOSISDBHSA-N 409.446 0.405 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCOCC2)cn1)c1cc[nH]n1 789952511 ATOXKQAZKISTOV-UHFFFAOYSA-N 402.411 0.564 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)O)ccc2c1=O 794822671 DKNJGUAQHSMBOL-LLVKDONJSA-N 418.475 0.923 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@H](CO)NC(=O)c2cccc(Br)c2)C1=O 798604132 QKPDRONHWMLJLF-UONOGXRCSA-N 411.252 0.870 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1 802265692 MDOSZZWLLOZQOI-UHFFFAOYSA-N 411.212 0.971 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)CC1 805058184 NOHIKRIQCOFYQF-UHFFFAOYSA-N 410.400 0.252 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(C)c1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 807002707 ORLDWBOHIXPZKU-OAHLLOKOSA-N 400.460 0.675 30 20 HCED CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 809393243 XKRAJSWJIVGUOW-LRZCVGBLSA-N 413.374 0.316 30 20 HCED C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 812214706 RETPGVIPIKIBCI-KBPBESRZSA-N 417.557 0.171 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274177 XBMAYQAEADWBCQ-UHFFFAOYSA-N 423.445 0.009 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2=O)cc1 812649369 YCKYGIITQJFFTF-MRXNPFEDSA-N 412.427 0.704 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 815861246 YQCNVDWOUCHKCG-GOSISDBHSA-N 400.479 0.614 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 1116902948 NZQZGMJGESBJFZ-AWEZNQCLSA-N 401.448 0.119 30 20 HCED Cn1cc([C@H]2C[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)cn1 1183571977 PSWAXXMMQGIAHN-DOTOQJQBSA-N 403.464 0.607 30 20 HCED C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1303722121 LAALZSAKDFQVHC-RDJZCZTQSA-N 422.555 0.641 30 20 HCED CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1305108953 XPTZJBUMNHKCKW-DLBZAZTESA-N 422.555 0.641 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1312479968 GXPARAPPTYMTIH-MRXNPFEDSA-N 402.480 0.792 30 20 HCED CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1314739925 JYUOGIMINSYTOJ-QGZVFWFLSA-N 423.477 0.596 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)cc1 1320114374 XDRGGUIQNJKSBB-SFHVURJKSA-N 416.455 0.432 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCN1S(C)(=O)=O 1475146626 YSPWJMFKHGADNO-JTQLQIEISA-N 422.326 0.975 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 1475584079 ZZJWDSSZMPHTGE-UHFFFAOYSA-N 401.286 0.549 30 20 HCED CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1502199787 SNSUCFFILKBNFF-HOCLYGCPSA-N 408.528 0.393 30 20 HCED CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1=O 1515781327 JDPRJWKDMFVYTO-KBPBESRZSA-N 421.527 0.714 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 1525698883 WVCWZIWVMGIVNP-UHFFFAOYSA-N 409.464 0.864 30 20 HCED CNC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1559910133 WVCBTADBDBMXEM-LJQANCHMSA-N 416.501 0.928 30 20 HCED COc1cc(C#N)ccc1OCCN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1617925695 LHPSAQAYGQUJBN-UHFFFAOYSA-N 416.525 0.536 30 20 HCED N#Cc1cn(CCC(=O)N[C@H](c2ccccc2)C2(CO)CCOCC2)c(=O)nc1O 1639180540 SNNGJLPRESSIIY-GOSISDBHSA-N 412.446 0.857 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1666489646 MTQPFGLFDADOHN-SECBINFHSA-N 408.299 0.620 30 20 HCED N#CCCn1ccc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)n1 1669262165 LSFQIVHUGGXSMR-UHFFFAOYSA-N 423.421 0.779 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1692544379 NIPSNSQBYFIZTJ-ZIAGYGMSSA-N 410.500 0.112 30 20 HCED CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCS(=O)(=O)NC 1694757998 MELVLGIXXKMKFV-MRXNPFEDSA-N 404.496 0.839 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1711352109 KSCAEEUXTNRPER-UHFFFAOYSA-N 406.454 0.351 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2cc(CO)nn2)CC1 1750388725 KNTDIXWJGQDIPX-INIZCTEOSA-N 413.486 0.533 30 20 HCED CC(C)NS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751003674 IVURUVAAOUQJAU-INIZCTEOSA-N 409.560 0.906 30 20 HCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1770518866 OELTYSQCAXTSEI-AWEZNQCLSA-N 421.479 0.639 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)NC(=O)OCC)C2)C1 1778781708 OZFUUXSWXUMNHE-OXQOHEQNSA-N 409.483 0.649 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4ncnn4c3)CCO2)C1 1778971325 JNYYYDPCJAVFAQ-IERDGZPVSA-N 413.478 0.746 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1779324101 RATUXQGBVOHMJI-CBGDNZLLSA-N 400.479 0.750 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCC(=O)N1)C2 1779359236 BJYHTCZYMJUJPN-YANRBDASSA-N 419.526 0.251 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780333911 ACWJSQPCAYIPCU-NRFANRHFSA-N 419.445 0.995 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780335911 QBJJEBWKXNLJRY-FQEVSTJZSA-N 417.466 0.855 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780804881 ZMWJABPMBWZGAQ-BIZBXSGISA-N 422.526 0.992 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H](O)CN3)C2)C1 1781042410 YEDMGDDSVHCWAM-WFXMLNOXSA-N 417.893 0.244 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCc1ccc(O)nn1)C2 1782186866 LXAZYPSBOGBIEN-ZBQZNYHESA-N 408.524 0.947 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CCOCCNC(=O)OC(C)(C)C)CCO2 1783045997 AMVZIVQPVSNLPT-FQEVSTJZSA-N 409.483 0.381 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783978450 XXOBVAKJKQCZPP-HNNXBMFYSA-N 409.430 0.414 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(OC)c3F)[C@H]2C1 1787137079 FODQUGKHCGFYCI-OHFALNGGSA-N 419.453 0.861 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]21 1789890095 DAGIUQUWBRIRGQ-ULQDDVLXSA-N 402.451 0.579 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=S)NCC)[C@H]2C1 1790566356 DWVFFKLANDSXFG-VGWMRTNUSA-N 412.556 0.041 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)NCC(C)C)C[C@@H]21 1790878013 YIPNDUMGJGLXGQ-KKUMJFAQSA-N 401.454 0.950 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CCN3C)C2 1793343178 NUECWHMEUQLXOH-RMYQPGKMSA-N 411.502 0.920 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(=O)n1O 1794667140 AXRDXOBWMDBVLK-AWUZYYAWSA-N 400.435 0.196 30 20 HCED C=CCCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)C3)c(O)n1 1794827936 VIXWBNHGWHDWET-OREBXVKISA-N 414.506 0.880 30 20 HCED N#CCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796617372 USRNBWSJYMKIMX-CWPLJXCYSA-N 413.478 0.425 30 20 HCED COCc1oncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)ON=C(C)C 1799390930 DNTJGPKAPSMUHV-ZJOBFFGXSA-N 408.455 0.825 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(CO)on2)C3)c1 1799801778 ITQFUWCYQQTXPG-HGKCTWBKSA-N 410.430 0.864 30 20 HCED C[C@@H](C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2)n1ccnn1 1800263126 KAJAKPSOJURCGX-RMYQPGKMSA-N 422.489 0.933 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@@H]3CCCO3)c2c1 1800729642 PCEDYYVFVPJGSD-DACLVMHWSA-N 409.446 0.817 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)Oc1ccccn1 1801363025 XWSWRCDNJZCBNJ-ZQOJQMTGSA-N 401.463 0.477 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1NC(C)=O 1801778350 FVRKQAKXYCFAIO-REGYPHIPSA-N 413.474 0.887 30 20 HCED C=CCOCCCC(=O)N1CCCC2(CCN(C(=O)[C@@H](O)N3CCOCC3)CC2)C1 1806015165 SLUMZVXEJXNLMT-OAQYLSRUSA-N 423.554 0.851 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)[C@H](O)c2ccccc2)[C@H]1c1cccnc1 1806809081 OYFVZJOLAUPSMS-DUXKGJEZSA-N 407.426 0.909 30 20 HCED CCOc1ccc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)nn1 1811626585 JORLBXBEZZOOOX-FOIQADDNSA-N 423.429 0.678 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812340147 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CCWQDJXOCYGHCE-XMSQKQJNSA-N 414.506 0.735 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1830060643 YBPANDSYZXRGDM-FQEVSTJZSA-N 416.434 0.430 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4nccc34)C2)C1 1830061534 JWDFCJILBKLRNA-OAQYLSRUSA-N 411.462 0.954 30 20 HCED C[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1830744191 UEXBPLGKXQNSGA-QRWLVFNGSA-N 424.498 0.517 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/C1CC1)CCO2 1830790216 IKSDYJKWNUYNPM-ZFXIOAMPSA-N 421.494 0.938 30 20 HCED CC[C@@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1)N(CC)CC 1831209547 WSXVVESBXFJRQM-UGKGYDQZSA-N 405.539 0.977 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]cc4c3CCC4)C2)C1 1831396015 GJTDPHQDAJDXGA-KSFYIVLOSA-N 415.490 0.612 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)CC3(F)F)C2)C1 1831401610 CVXAERUYIOWYJY-FHLIZLRMSA-N 400.422 0.526 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1831402512 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0.874 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnccc3F)CC2)CC1 1834942621 TZVVQUYZZUCUNN-UHFFFAOYSA-N 402.426 0.494 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)Cc3ccccc3)C2)C1 1835362714 STFCSJDNJMVTAW-RXVVDRJESA-N 401.463 0.350 30 20 HCED CN(C)CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835388355 NSAMGAOEUYKVQU-OAQYLSRUSA-N 400.479 0.580 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835854808 PYHJEIWFNSPYPW-MGPUTAFESA-N 404.467 0.954 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)cc1 1835857269 UOSKOMVHBLHCML-HXUWFJFHSA-N 411.418 0.371 30 20 HCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)C 1835893051 PJQUKONNUQJINE-UNMCSNQZSA-N 405.539 0.879 30 20 HCED CCn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cc1C 1838146381 MWPFKYKNMBTXAT-OAQYLSRUSA-N 400.479 0.695 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838667824 YQBVRJBZBYYKHX-KKSFZXQISA-N 417.462 0.204 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n(C(F)F)n1 1838712236 XUBFTOLPLXBMIX-IBGZPJMESA-N 423.420 0.960 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)[nH]3)C2)C1 1839173398 NIXOYPACPBEVFD-FQEVSTJZSA-N 420.466 0.298 30 20 HCED CCC(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1839421691 FTMJMURLEUDOQB-FQEVSTJZSA-N 403.410 0.746 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839446098 CFCMHKBWLCRLCL-QVKFZJNVSA-N 418.446 0.206 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)N(C)CC)CCO2)C(F)(F)F 1839644109 QQQUKBHABFBMIT-RHSMWYFYSA-N 407.433 0.902 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cncc3F)C2)C1 1840162045 KJUHYBRRJRKZCF-DIFFPNOSSA-N 401.435 0.748 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)C1 1840201476 SPTMNOLVYCSGDN-KRWDZBQOSA-N 419.400 0.088 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)c1ccccn1)CCO2 1840500205 YHFQKGGUIOTXRQ-HMFYCAOWSA-N 415.490 0.680 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839583 VGNFFIWYTKXLMK-GQPJMJRUSA-N 402.394 0.685 30 20 HCED CCc1c(Br)c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)nn1C 1843144191 FOGMMSSHWWFBHH-UHFFFAOYSA-N 423.267 0.650 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CC2(CCCN2C(=O)[C@H](O)N2CCOCC2)C1 1844293375 FXRQBWMNCJCXAV-IBGZPJMESA-N 417.893 0.546 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(C)=O)C2 1847071145 PFQMUIDDTPODMJ-HOCLYGCPSA-N 420.510 0.631 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(CS(C)(=O)=O)nc1 1847800924 FPFYIRRTGVMWNE-WBAXXEDZSA-N 419.503 0.480 30 20 HCED C=CCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1 9550512 SIEQTBHLVOWNAQ-UHFFFAOYSA-N 403.438 0.440 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCCN(C)S(=O)(=O)CC)c1 56057235 LXQFNIHFIIRUKH-UHFFFAOYSA-N 403.526 0.552 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1 104854695 LHMBBIFWTIJMQD-UHFFFAOYSA-N 420.535 0.531 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCOC[C@H]2CCCO2)CC1 107575897 XKKFQILPCGYTON-QGZVFWFLSA-N 407.492 0.977 30 20 HCED Cn1c(NCCN2CCN(c3cccc(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 301723382 SCYDBLDHXJGWHN-UHFFFAOYSA-N 402.886 0.843 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 409558755 ZHIGEYBIOPIVQP-GFCCVEGCSA-N 405.354 0.629 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2n[nH]c(C)c2C#N)c1 431460578 WPRSJDMIXUWSCP-UHFFFAOYSA-N 418.479 0.989 30 20 HCED C[C@H]1CC[S@@](=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 433529703 KRENGSMCYMOFLM-JNFKXCBWSA-N 403.439 1.191 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)C[C@H](C)C1 433630927 CGDGEKNCMBWQSK-CYBMUJFWSA-N 409.464 0.415 30 20 HCED COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)C2)nn1 442496266 PXDYEOQVZNGKNN-UHFFFAOYSA-N 422.323 0.977 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1=O 444407515 NWDNBBOCIHXKOL-SFHVURJKSA-N 424.436 0.450 30 20 HCED COc1cccc(CC(=O)N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)c1 444509625 ZMFCUDBEGCYAAY-UHFFFAOYSA-N 424.461 0.657 30 20 HCED COc1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)cc1-n1cnnn1 446452512 GFTJUSOBBXTOJE-UHFFFAOYSA-N 406.406 0.947 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCCN2C)C1 460730572 VPWKTUZKYWLXEU-SJORKVTESA-N 407.478 1.329 30 20 HCED CNC(=O)N[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 466929850 UKLHIUPYROHDEU-ZWKOTPCHSA-N 402.474 0.538 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 469355885 BFVCTEZHQFXLNG-AWEZNQCLSA-N 400.888 0.855 30 20 HCED CCOC(=O)[C@H]1CCCCN1C(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 472151365 GDTCFUOXPDGDQU-QGZVFWFLSA-N 402.499 0.666 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1C#N 472171331 KDSLDIMRVNFVMH-UHFFFAOYSA-N 417.495 0.008 30 20 HCED N#C[C@@]1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCOC1 478653846 CIHWQYHAIDFBTR-DYVFJYSZSA-N 408.436 0.794 30 20 HCED Cc1cc(N(CCC#N)C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1Cl 483316272 OIQFKGYTMORNOD-HNNXBMFYSA-N 403.870 0.538 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 489106406 WFAZIBAXTRIFAX-HNNXBMFYSA-N 417.505 0.983 30 20 HCED CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(CCC#N)CCN1CCOCC1 489212677 ZTCVBEZVABSDIL-GOSISDBHSA-N 400.545 0.655 30 20 HCED COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2ccc(C#N)cn2)CC1 497636813 NYBOGRDKELSCTG-UHFFFAOYSA-N 401.448 0.714 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN3C(=O)CC[C@H]3C2)CC1 499254384 VCVBMJLVYCINDZ-HNNXBMFYSA-N 424.461 0.761 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1C 504871367 TUKDPGWFKXUBNJ-INIZCTEOSA-N 410.434 0.348 30 20 HCED CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)CC1 508379782 RKDBVNFCUAYTDT-UHFFFAOYSA-N 410.482 0.435 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)COc1ccc(C#N)cc1 510989519 XWIRLINKYUDQDR-UHFFFAOYSA-N 403.460 0.866 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CC1 514521001 HSWVGEILBZDGPN-UHFFFAOYSA-N 409.467 0.798 30 20 HCED N#Cc1ccc(N2CCC(N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)cc1 515093308 HEORBGUMWUQPFV-UXHICEINSA-N 404.536 0.614 30 20 HCED N#CCCCCS(=O)(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 518819238 DHSGLTFGCOFJKG-MRXNPFEDSA-N 407.558 0.221 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2C)c1=O 523742981 MYUUHBNOBXLWRR-UHFFFAOYSA-N 415.515 0.520 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C 532109425 ISDWAAFTWAZFPP-UHFFFAOYSA-N 407.499 0.908 30 20 HCED C=CCN(C(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)[C@H]1CCS(=O)(=O)C1 535323324 SAXPEIIYDYWTPL-KFWWJZLASA-N 411.524 0.935 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)C2)nn1 545172702 PLPNWOIBQQIJDU-ZDUSSCGKSA-N 400.370 0.878 30 20 HCED C=CCN(CC=C)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 550570651 DOZWKKYQPUZPFC-UHFFFAOYSA-N 413.521 0.586 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CC)c2nnc3n2CCCCC3)C1=O 552981711 BLEIEBROOGAHBZ-LSDHHAIUSA-N 402.499 0.817 30 20 HCED N#Cc1ncn(CCNc2cc(NCCn3cnc(C#N)n3)c3ccncc3n2)n1 553650755 BAQZZWABBRXHGR-UHFFFAOYSA-N 400.410 0.780 30 20 HCED CN(CCOc1cccc(CNC(=O)NCC(=O)NCC#N)c1)C1CCOCC1 553871938 OCRAZUSOSYVEKM-UHFFFAOYSA-N 403.483 0.615 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 571232508 RMTRJNNCGWLYCA-UHFFFAOYSA-N 420.520 0.825 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCCOC[C@@H]3CCCO3)CC2)cc1 574998202 MBOCBDXFFPTGFW-FQEVSTJZSA-N 414.506 0.904 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 578266087 UZSPATBBZBXVCH-UHFFFAOYSA-N 402.498 0.014 30 20 HCED CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1 578923544 CTZXFUZNUIGMGA-UHFFFAOYSA-N 421.504 0.372 30 20 HCED COc1cccc(O[C@H](C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 580365575 CZOANLZFFYOBSM-CYBMUJFWSA-N 414.466 0.847 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)NS(C)(=O)=O 588375857 IUXOOLLCNFVAPT-UHFFFAOYSA-N 417.285 0.703 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)c1C#N 589607439 CPIRICKDXPGEFB-UHFFFAOYSA-N 400.530 0.436 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603736521 QXXPGACWHCEUDE-MRXNPFEDSA-N 420.535 0.532 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609001215 SRSWNDUIVYMOLY-UHFFFAOYSA-N 413.526 0.774 30 20 HCED CCCCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1 609283064 RWKWKDFKZKVXJA-OAHLLOKOSA-N 408.480 0.797 30 20 HCED CN(CC(=O)N1CCCC[C@H]1CN1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 609528140 HJNBDEDWLIHEHC-SFHVURJKSA-N 420.535 0.892 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 610684287 IMYOVSMWVXUUOW-IAGOWNOFSA-N 412.542 0.737 30 20 HCED N#C[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 615640414 XHYHIYKAMIHYQB-QGZVFWFLSA-N 416.425 0.735 30 20 HCED C=CCN(CC(=O)OCC)S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 725827526 FSTDODGYOVSDBX-UHFFFAOYSA-N 402.494 0.867 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 728532841 LSEUYSOMDVHUKQ-UHFFFAOYSA-N 407.478 0.044 30 20 HCED N#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 731236236 SXAZVKSBTRMIKF-UHFFFAOYSA-N 404.242 0.300 30 20 HCED COc1ccc(OC)c([C@@H](O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732466530 OOBZHFQIIHGUNO-HEWTWTGNSA-N 404.423 0.563 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 744759150 HVKSFZHVVWMUEO-NOLJZWGESA-N 421.425 0.274 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 749677241 DJOBDJWFKNMZJD-UHFFFAOYSA-N 411.455 0.659 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 756024628 XBOLENSUORHDKI-BVFVFODLSA-N 419.388 0.896 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cccc(OCC)n2)c1=O 758056264 UKFBZLCKDLQPJU-UHFFFAOYSA-N 410.499 0.756 30 20 HCED C[C@@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 758095514 XMJBVQVWAOFJJZ-RISCZKNCSA-N 417.871 0.283 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758643506 VSZPJBMBXYSBJU-ZIAGYGMSSA-N 416.500 0.465 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 761030705 KANDTCCFLNXBHJ-UHFFFAOYSA-N 406.424 0.230 30 20 HCED CN(CCCNC(=O)CON=Cc1c(Cl)nc2ccccn12)S(C)(=O)=O 762767114 GMEIEUYNCDTXGP-UHFFFAOYSA-N 401.876 0.736 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(-n2cncn2)nc1 764869997 PAXFAHBKQDRHRK-CYBMUJFWSA-N 411.447 0.517 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Cl)c(Cl)cc1O 766024376 AKDUEDQPWOGZCR-UHFFFAOYSA-N 421.262 0.799 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(C=C)c2)c1=O 772279887 XKCAGJGYCOYZKP-UHFFFAOYSA-N 407.455 0.805 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(CC(N)=O)c2=O)cn1 772316521 SFFCRTSHQKCPES-UHFFFAOYSA-N 423.429 0.217 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)[C@H]1CCCO1 773788454 JKHXNVLKIXPDIF-ZIAGYGMSSA-N 409.464 0.181 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCS(=O)(=O)N2CCOCC2)n1 781480803 KSUUBYQQAUHCSX-UHFFFAOYSA-N 422.442 0.667 30 20 HCED N#CCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 782864298 VUAZWYQZDIEOIY-UHFFFAOYSA-N 406.446 0.899 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 784923599 VQPFPMOCBNKFHO-UHFFFAOYSA-N 403.460 0.560 30 20 HCED CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)NCC#Cc2ccccc2)n1 787513863 NXASXHUNQWGYKF-UHFFFAOYSA-N 402.476 0.733 30 20 HCED Cn1c(CC#N)nn(CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1=S 794633292 LWCLVNFAXDMUBX-ZDUSSCGKSA-N 412.475 0.972 30 20 HCED C[C@@H]1CN(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2F)C[C@@H](C)O1 800013175 RSQPXNDIGIWDBQ-FMKPAKJESA-N 412.487 0.998 30 20 HCED COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC)CC1=O 802372556 CMTBMKSAXMMYMP-UHFFFAOYSA-N 414.466 0.670 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1)c1ccncc1 805807866 ODNSCADAYPFMQS-AEFFLSMTSA-N 401.511 0.874 30 20 HCED C[C@H]1CN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2F)C[C@@H](C)O1 807366785 GTTCVVYAXQDVCZ-BETUJISGSA-N 415.429 0.657 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@H]1CCCO1 808830626 IBZVWOUATNSTSF-RYGJVYDSSA-N 415.490 0.943 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN3c4ccccc4C[C@@H]3C2)c1=O 811781544 DOBFRSJRLUVBIX-GOSISDBHSA-N 409.490 0.638 30 20 HCED COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813980856 JQRYGGMCFJBPDZ-UHFFFAOYSA-N 419.810 0.710 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 815861213 XDLOSNSGGIVWPX-UHFFFAOYSA-N 413.522 0.361 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1 819070828 FNCYPZWOWDGKIL-KRWDZBQOSA-N 403.504 0.975 30 20 HCED CC[C@@](C)(CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 821572619 KRODQIMIWXNCKY-CQHJRZBDSA-N 410.496 0.715 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCCNS(C)(=O)=O)C1=O 914541592 XCNUHAUVRLRHMM-ZDUSSCGKSA-N 416.500 0.833 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 917036865 PJTJCTRTHFUQAW-DFXHGPDCSA-N 407.426 0.827 30 20 HCED N#C[C@@H](C(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1)c1nc2ccccc2s1 917131169 JZTLDIAYNLQABC-AWEZNQCLSA-N 411.487 0.895 30 20 HCED C#CCOCCC(=O)N1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1079141257 VZZZGIBMVLOMHT-GJNTUIEKSA-N 402.491 0.670 30 20 HCED O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCCN/C(O)=C1/N=CC=CC1=O 1116178874 UKNVMVYONFNEIA-CUNTYZFUSA-N 419.459 0.598 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN1CCOCC1)CC1CC1 1167749349 PGGZMSXRECNDIC-INIZCTEOSA-N 420.535 0.796 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2C(=O)CNC2=O)cc1 1317988659 RPHMPGJAVPGZDB-RCCKNPSSSA-N 421.479 0.770 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)cc2C(N)=O)C1=O 1322265007 GMVOCRRSRBHYPP-UHFFFAOYSA-N 409.196 0.463 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1323094053 QILXONIQTHLFOG-LJQANCHMSA-N 401.463 0.079 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](CO)Cc3ccncc3)C2=O)cc1 1329084490 MKTYLGXPTMIOPM-SJLPKXTDSA-N 407.430 0.878 30 20 HCED Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1492724110 LNTAUNSSBNPARE-HNNXBMFYSA-N 407.438 0.744 30 20 HCED CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1503801613 LVVNVFGRGMZQTK-HNNXBMFYSA-N 416.507 0.824 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCn1ccnn1 1509685633 TXTBSRFUMIVFBV-INIZCTEOSA-N 412.502 0.275 30 20 HCED CS(=O)(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519615137 ZBMRLDOORIKSAI-HOTGVXAUSA-N 423.543 0.245 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539775326 KXTZKBXCCMPCTE-NEPJUHHUSA-N 417.923 0.197 30 20 HCED CCN(CCCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O 1547574384 KOKUIXDVCPJUMR-MRXNPFEDSA-N 419.511 0.740 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)CCO1 1555992228 LBRVBAPYRISYJD-HNNXBMFYSA-N 404.471 0.174 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(CO)CC1 1557420366 NOFZPUFXFIDORN-HNNXBMFYSA-N 409.508 0.630 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)c1 1623850114 QRIODLRNJRBRAJ-SFHVURJKSA-N 409.446 0.889 30 20 HCED C[C@@H](CC(=O)Nc1n[nH]cc1C(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1634288385 RLQZUXQVBUGQMJ-JTQLQIEISA-N 404.452 0.567 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H](c2ccccc2)C2(CO)CCOCC2)c(=O)nc1O 1639180641 SNNGJLPRESSIIY-SFHVURJKSA-N 412.446 0.857 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1648829341 PWDXQVWCBOEMKK-CQSZACIVSA-N 405.436 0.516 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 1669217050 NIXWIMMSCMJDJP-UHFFFAOYSA-N 420.538 0.031 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3CCC4(C3)OCCO4)C2=O)cc1 1687677887 IJNLZEACPWNTMN-SFHVURJKSA-N 413.478 0.802 30 20 HCED COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1697803552 SIHWYZLBOMRSHP-HNNXBMFYSA-N 406.487 0.588 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740811049 LHEFKDXTUJOGHG-RYUDHWBXSA-N 401.876 0.574 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1741803529 QVNAODKYHMQDJC-HOTGVXAUSA-N 424.571 0.765 30 20 HCED CNC(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1748271702 QKSUJDOHMIZDLM-FQEVSTJZSA-N 424.440 0.770 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1769326510 XNDKMUPYPURPMG-OAHLLOKOSA-N 402.480 0.576 30 20 HCED CO[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1769580045 ZPGVRULSCYYDFA-XJKCOSOUSA-N 416.479 0.088 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc4c(c3)CCCO4)C2)C1 1778269583 ADJYGTDIKJQZHA-JOCHJYFZSA-N 412.442 0.472 30 20 HCED O=C(/C=C\C(=O)N1CC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2)NC1CC1 1778831473 GOGVUJQMXSCZSG-WCDZUZSJSA-N 417.510 0.123 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc3cccnc3n2)C1 1778952933 RAORGJGNSZRWMS-VGOFRKELSA-N 422.441 0.845 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C(C)=C/OC)C1 1779231165 WPLPBKKSKJRZCM-NTUQWJBGSA-N 405.495 0.909 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1779250862 DKJDDMGHLCDVPH-IIBYNOLFSA-N 421.542 0.403 30 20 HCED 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C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)C[C@@H](NC)C(=O)O)C3)c(O)n1 1842296953 BEVZRLRQLZIWRI-MRXNPFEDSA-N 416.478 0.786 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@@H](O)N3CCOCC3)C2)ccc1F 1844296882 GWTRVBHHHJGECK-LJQANCHMSA-N 416.453 0.094 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)CCOCCOCCOCCOC)C1 1845246292 BUUJOOQVMJNWGS-UHFFFAOYSA-N 410.511 0.690 30 20 HCED C=CC[C@@H](CC(=O)N1CCCC12CN(C(=O)CNC(N)=O)C2)NC(=O)OC(C)(C)C 1846932926 MYEKBQAQSLNHOF-AWEZNQCLSA-N 423.514 0.718 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)[C@@H](O)C1 1847747724 ZROMHNCMWIWDKW-XSLAGTTESA-N 417.506 0.829 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(C#N)c(Cl)c2)c1=O 7394534 VVENQGJAQUIGIU-UHFFFAOYSA-N 401.810 0.707 30 20 HCED N#Cc1ncn(CC(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)n1 426437147 VHTOHEADCWZEQN-UHFFFAOYSA-N 409.479 0.962 30 20 HCED CC(C)(O)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 426762560 LFTGPWKNYGEUOP-UHFFFAOYSA-N 420.535 0.626 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 427680826 ZKVWLTNOBDLYMK-STQMWFEESA-N 402.451 0.999 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 431998904 OFOFWFYOCWEZAW-UHFFFAOYSA-N 421.461 0.450 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC3CCOCC3)CC2)cc1 434545401 WRRDYAPDZHLQGX-QGZVFWFLSA-N 409.508 0.421 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 437015208 UIHOSSPUGHURSS-LRDDRELGSA-N 424.475 0.913 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3cccc4c3OCCO4)n2)cc1 437483606 HGOSRZNIMXKIHW-UHFFFAOYSA-N 404.386 1.546 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)C1 440141226 YVFMAICBDGOOHY-LJQANCHMSA-N 405.455 1.092 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 441930253 RTVCTZFNIKEBQB-CQSZACIVSA-N 419.528 0.273 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 445645308 OUOGDOPKJJIJMF-OAHLLOKOSA-N 416.507 0.303 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)c1 447834480 WSGOAUFERLIATK-DOTOQJQBSA-N 412.508 0.637 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCCNS(=O)(=O)c2cccnc2)c(F)c1 448152928 CEAQQYRDRPUCRM-UHFFFAOYSA-N 402.404 0.488 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1nccn1CC(C)C 460612148 BDZWOVGWACTCPM-UHFFFAOYSA-N 406.450 1.555 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)CCCN2CCOCC2)C[C@@]12C(=O)Nc1ccccc12 463857276 QJYNYRKADPVSQH-DNVCBOLYSA-N 404.492 0.384 30 20 HCED N#C[C@H]1COCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 464798471 SAIQBTGBDJJLEJ-ZFWWWQNUSA-N 408.436 0.746 30 20 HCED C=CCn1c(O)nnc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 470829072 AGRFGGKXXZMBIH-QWHCGFSZSA-N 416.525 0.457 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@]2(CCO[C@@H]2C)C1 472966396 SPDMQBUBIDVXCM-VLIAUNLRSA-N 403.435 0.928 30 20 HCED CS(=O)(=O)Nc1nnc(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)s1 476072653 KKKCVFMQQRXMLT-GFCCVEGCSA-N 420.476 0.911 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 477204113 GPCZHMPBBSYRJJ-UHFFFAOYSA-N 408.524 0.547 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC(F)F)cc2)c1=O 489029888 CPABOBGMOAKUEP-UHFFFAOYSA-N 423.441 0.797 30 20 HCED COCCN([C@@H](C)C(=O)N1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(C#N)cc1 494488539 TWVLDIMWNQDALE-HNNXBMFYSA-N 422.507 0.275 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cn1 507416819 YGKIISZCFTXPBQ-UHFFFAOYSA-N 411.487 0.849 30 20 HCED C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508309576 SCLJIEDJGGNKHM-CQSZACIVSA-N 409.450 0.919 30 20 HCED C=CCN(C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 513229962 ISOHTYIIGSFYPJ-LBPRGKRZSA-N 402.450 0.814 30 20 HCED N#C[C@@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C[C@@]12C(=O)Nc1ccccc12 513594219 RNSFTXJTMBSWAW-GGOJBBCOSA-N 416.437 0.989 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 517916610 VMLBAKCVBGGCBN-AWEZNQCLSA-N 409.487 0.953 30 20 HCED Cc1nsc(N2CCN(C(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)c1C#N 518850691 SYSBTLASKQCCTQ-HIFRSBDPSA-N 406.512 0.791 30 20 HCED CC[C@@H](C)[C@H](NC(=O)COc1ccccc1C#N)C(=O)NCCN1CCOCC1 521073198 JNZQNLUNUIFHIV-UZLBHIALSA-N 402.495 0.916 30 20 HCED C=CCN(C(=O)CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 532446226 NDFZABJYUMBIBQ-KRWDZBQOSA-N 420.535 0.712 30 20 HCED CN1CCC(O)(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542999679 IDZKFTZKNFMQTN-UHFFFAOYSA-N 416.869 0.909 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2CC)c1=O 547962398 JJRDGZCRZQKNOX-AWEZNQCLSA-N 416.503 0.271 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2nnc3n2CCCCC3)CC1 550437759 JBGVLHUZVZPFCM-UHFFFAOYSA-N 408.466 0.236 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)C2)nc1 557473771 DBSBTSYNKFFEDU-HNNXBMFYSA-N 401.448 0.697 30 20 HCED COCCn1cc2c(n1)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCC2 558563882 XUFHIJQPCWNLHM-KRWDZBQOSA-N 417.491 0.873 30 20 HCED CN1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 559834272 UKQFYNKIEMNYSD-UHFFFAOYSA-N 412.538 0.351 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)n1 560194536 FDRWPBPHUQQRDM-KDOFPFPSSA-N 410.409 0.995 30 20 HCED COCCN(C)CCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 566920979 GQXDWHYBXVKODK-UHFFFAOYSA-N 401.511 0.287 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2C[C@@H](OCCCC)C2(C)C)CC1 576382950 JITLYXJUJNSNHI-DLBZAZTESA-N 408.543 0.533 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C2CC2)O1 577773858 FQDWJZXBFDHWRK-CCKFTAQKSA-N 410.474 0.801 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)[S@@]1=O 577803958 MBOAHPNDPJHYEP-ZUKSIGSZSA-N 400.464 0.835 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)ccc1C#N 581004882 ZIEWYDCGPAOLOT-UHFFFAOYSA-N 402.432 0.778 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)c3ccncc3)CC2)c1C#N 588208965 KNMIHXJDSSSHKH-UHFFFAOYSA-N 409.494 0.738 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 589895643 PHIPAAKCZGKHGL-AVYPCKFXSA-N 412.450 0.836 30 20 HCED Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1S(N)(=O)=O 610693918 HPXKGQCZXGCPBE-CYBMUJFWSA-N 400.464 0.655 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 612724882 UEAYOGAHTWAITC-GFCCVEGCSA-N 411.422 0.447 30 20 HCED Cn1c(=O)c2cc(NC(=O)C(=O)N[C@@H]3CCc4cc(C#N)ccc43)cnc2n(C)c1=O 618881826 UFVAAVPBUCAXEP-MRXNPFEDSA-N 418.413 0.246 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N2CCCC2)CC1 669810994 BMOOPLIKFRCJNB-HNNXBMFYSA-N 408.528 0.704 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c1 674379280 ZKVOUXCBCYJXJI-OAHLLOKOSA-N 406.464 0.259 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725957138 VOMYEUTXROYGJY-GUXCAODWSA-N 405.426 0.999 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1=O 726044013 YJZAMSPWSJXMPM-UHFFFAOYSA-N 420.334 0.062 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 731861905 SEUCBKFIDMLWPA-HTXNQAPBSA-N 418.475 0.631 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 733149747 PVWSSABPHGTTGD-HXUWFJFHSA-N 410.518 0.504 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 740518157 BIBQURHQLVAGMG-UHFFFAOYSA-N 404.492 0.378 30 20 HCED CCc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1S(N)(=O)=O 742424159 HLPRDKULXOOVMG-UHFFFAOYSA-N 422.488 0.574 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2C)C1=O 744918799 NIKOIIHLAONTGG-UHFFFAOYSA-N 405.411 0.176 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cn1 744949453 XNNLSLLVWNEWDB-KRWDZBQOSA-N 403.464 0.782 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 746500161 SLDYITDZANEXFS-UHFFFAOYSA-N 408.462 0.706 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 747277812 KWZBVEOFKKOKSR-UHFFFAOYSA-N 405.307 0.834 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nc3nccc(C)n3n2)c1 749503864 HOJROKBVNOIETF-UHFFFAOYSA-N 404.430 0.920 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 761032521 JICAWSWDTQCUQU-MRXNPFEDSA-N 408.524 0.300 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2cccc(C(=O)NCc3ccco3)c2)CC1 761033407 WBWDHOBYCZFLAX-UHFFFAOYSA-N 416.503 0.795 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCCC3)C2)cc1 762595317 ZRMXZURKLFNOPO-SFHVURJKSA-N 405.520 0.925 30 20 HCED COCCOCCS(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 768216584 KQIYXNLFPFSUIH-UHFFFAOYSA-N 409.468 0.259 30 20 HCED CCN(CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 770805454 KJFBPNLJFQLVBF-MRXNPFEDSA-N 411.524 0.937 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(Cc3ccon3)c2=O)cn1 772312740 WQDIIHVKDTVFQR-UHFFFAOYSA-N 424.486 0.518 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1)[C@H]1CCCO1 782126245 WCWNTBXAAJRRNK-AZUAARDMSA-N 412.490 0.586 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 782999324 JBNBKPXMFDOYJG-UHFFFAOYSA-N 415.537 0.871 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)C1=O 798546662 CYLWTIPMTCRVQH-YWZLYKJASA-N 402.426 0.838 30 20 HCED COC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2ccccc2N)c1C#N 800235969 VSBREHYPDKEIOB-UHFFFAOYSA-N 403.416 0.949 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c1 805768552 CNLDGZNGKTWTCK-ZDUSSCGKSA-N 420.413 0.728 30 20 HCED COc1cc(OC)cc([C@H](O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 810419788 OEUWHPMZORYNHI-GOSISDBHSA-N 419.459 0.704 30 20 HCED C#CCN(C)CCCNS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 815082427 PWLBCCHBVBYOCH-UHFFFAOYSA-N 405.517 0.321 30 20 HCED Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)nnn1-c1ccn(C)n1 815754933 HFCWJBPYVCHWLO-CYBMUJFWSA-N 400.443 0.894 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 815861554 NVTFQYOQISUQQJ-IRXDYDNUSA-N 412.490 0.093 30 20 HCED Cn1ncc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c1I 816095268 WOHOJDCYNQZTEM-UHFFFAOYSA-N 417.188 0.410 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)[C@H](C)O)cc1 819551699 JCDVIWWCUBMEKQ-GUYCJALGSA-N 421.475 0.458 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 916870329 GPSYLBZZHZMIHM-OAHLLOKOSA-N 410.496 0.675 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 918238613 IWNPCMXVBWICPE-IKBYJFNHSA-N 408.480 0.733 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1=O 918390653 GOVBWLKVEVJEBR-UHFFFAOYSA-N 418.457 0.799 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 1216651148 KOMYUOFBBTYZOS-UHFFFAOYSA-N 407.431 0.497 30 20 HCED N#Cc1ccccc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 1248693524 SYGHPDKOIRKSFK-HXUWFJFHSA-N 424.438 0.757 30 20 HCED CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1296044992 HWKSQDBVKZAZMR-RLFYNMQTSA-N 410.519 0.964 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCN1CCOCC1 1297289864 LIVNKVKAILENJV-GOSISDBHSA-N 403.531 0.713 30 20 HCED COC(=O)CCN(CC(OC)OC)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1342635989 MEJKNNRGEPJOJN-HNNXBMFYSA-N 403.435 0.922 30 20 HCED 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C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc4nn[nH]c4c3)CCO2)C1 1778974516 GRYZXXGMDMHPIE-UTKZUKDTSA-N 413.478 0.975 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccnnc1O)C2 1779334099 WWGIRRNRJYUBCX-GCKMJXCFSA-N 418.494 0.883 30 20 HCED C[C@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)n1cnnn1 1780182327 MNXQMXKPFAHOMA-VVFCZOMOSA-N 412.454 0.262 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)cc1 1780697473 GXNSNZCBVKQHBK-OAQYLSRUSA-N 420.429 0.204 30 20 HCED Cn1nncc1C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781294757 CHWXDRFBRPXFIO-FQEVSTJZSA-N 412.425 0.512 30 20 HCED COCc1oncc1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782010352 OTHBGJPXERJUMX-DNVCBOLYSA-N 405.407 0.037 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782318455 MAVRLUJAKPFOBN-LAUBAEHRSA-N 402.495 0.846 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnc5c(c4)CCNCC5)C3)C2)CC1 1782729717 SPCYWVCKFYZGOE-QFIPXVFZSA-N 409.490 0.517 30 20 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CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)Nc2ccn(CCC#N)n2)c1 438309174 XVILBWLUIIWQAM-LBPRGKRZSA-N 419.467 0.854 30 20 HCED COc1ccc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)cc1-n1cnnn1 438751288 BRXGILONGGVNRS-UHFFFAOYSA-N 400.443 0.303 30 20 HCED C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C[C@@H](C)O1 438778575 MNECHCJNVFXCBU-BFYDXBDKSA-N 416.526 1.548 30 20 HCED Cc1cc(NC(=O)C(=O)N(C)CC(=O)Nc2cc(F)cc(F)c2)nn1CCC#N 439379599 ZSBHTUSNOYZINR-UHFFFAOYSA-N 404.377 1.419 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O 440254587 KYAAYVDTZFZAKH-CQSZACIVSA-N 413.883 0.927 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)cc1 443259622 AEXPVTUUQJCWTP-WFASDCNBSA-N 408.480 0.072 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)CNc2ccc(C#N)cn2)C1=O 443393628 NSPQKVQAJXKSAV-CRAIPNDOSA-N 415.494 1.449 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cn1 462675101 IKLPXMAPSLKPEP-SFHVURJKSA-N 400.460 0.702 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)c(F)c1 463599538 NFLBTCLIWIZBJW-PSBWJHGTSA-N 412.421 0.508 30 20 HCED CC[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471079232 PIFFXJCUOPYMQO-MRXNPFEDSA-N 411.462 0.945 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)CCN1CCN(C)CC1 474788058 DYKVRFWYPGDIBN-CVEARBPZSA-N 407.540 0.367 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1Cc2ccccc2C1 477540561 DHDOTNXBMJIQBJ-AWEZNQCLSA-N 412.471 0.884 30 20 HCED C[C@@]1(c2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)NC(=O)NC1=O 480546805 CFDJQMKXIKHZRS-NRFANRHFSA-N 404.430 0.970 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)N=c1cc[nH]cc1 481272942 HPIIWQJIFBSMEZ-ZDUSSCGKSA-N 401.448 0.187 30 20 HCED CNC(=O)COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 481803095 DUKFSUOVFBLXQL-CYBMUJFWSA-N 416.459 0.989 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 482224443 ZBHDBFVLNFCUHB-KRWDZBQOSA-N 400.479 0.765 30 20 HCED COc1ccccc1CC(=O)N1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1 489162138 MFHNFNMFXDNCHJ-UHFFFAOYSA-N 411.466 0.691 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2OC)c1=O 489192844 DKSOKRBBWYFEKD-UHFFFAOYSA-N 415.515 0.984 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CCC(=O)OC)C1=O 499479272 LLMWMXAEQIWJJE-QGZVFWFLSA-N 402.451 0.880 30 20 HCED Cn1c(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)c(C#N)c(=O)n(C)c1=O 506742680 NWCHHUHCPFLXJK-UHFFFAOYSA-N 417.491 0.742 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)cc1 508072296 QWAVHRHIIVMCDG-UHFFFAOYSA-N 418.519 0.958 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 508114449 ZKSHFULRENCOMY-UHFFFAOYSA-N 403.420 0.973 30 20 HCED C=CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508734200 PPWAQZUBHRBBLZ-UHFFFAOYSA-N 410.478 0.639 30 20 HCED COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)NCCn3cnc(C#N)n3)C2=O)c1 510627740 FMZARHZPUUUGKZ-INIZCTEOSA-N 413.438 0.614 30 20 HCED COc1ccc(Cl)cc1-n1cc(S(=O)(=O)NCCn2cnc(C#N)n2)cn1 511387571 ZTQAACKWJNCXQD-UHFFFAOYSA-N 407.843 0.976 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccs2)c1=O 523476563 XKDRDBRFRJAJSC-UHFFFAOYSA-N 421.544 0.664 30 20 HCED C=CC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 523949128 LUZVXHMNUCSGSE-CYBMUJFWSA-N 408.480 0.998 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCCO1 533884672 KGXNEIGIGBATSB-OAHLLOKOSA-N 415.519 0.242 30 20 HCED CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H](O)CN1CCOCC1 537248693 OGFBGFYKLQWIBE-QZTJIDSGSA-N 421.567 0.082 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)n1 538067453 GIFIJRWVJRXAOH-QGZVFWFLSA-N 401.515 0.903 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)s1 539213104 IYVUNQXOXOLZOP-UHFFFAOYSA-N 408.461 0.791 30 20 HCED CNS(=O)(=O)c1cccc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1 540401899 CPNXRNWNXJTTMF-VQIMIIECSA-N 421.567 0.938 30 20 HCED N#Cc1ccc(-n2ccc(NCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)n2)c(F)c1 541078416 JMJZUQLOYGCEQN-LBPRGKRZSA-N 420.426 0.308 30 20 HCED CCC(=O)N1CCCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 547306213 GAZUAEXNIBPBIX-UHFFFAOYSA-N 409.450 0.857 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H](C)O1 550582131 MXYRZCWYDXNYEL-KBPBESRZSA-N 419.530 0.259 30 20 HCED C=C(C)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 555244327 HAVRGWPELGHLPS-UHFFFAOYSA-N 411.510 0.897 30 20 HCED N#Cc1ncn(CCNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)n1 557656886 LKZMXYXBPCHQHA-UHFFFAOYSA-N 406.449 0.713 30 20 HCED Cn1c(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c(C#N)c(=O)n(C)c1=O 561360018 OYRKOQOUQNEWAS-NSHDSACASA-N 409.493 0.140 30 20 HCED CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NCCn1cnc(C#N)n1 561442093 AZFLQQNYWOFEGY-UHFFFAOYSA-N 405.484 0.477 30 20 HCED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N(C)Cc1ccccc1 561985196 SRWTUWVFSDPHME-HNNXBMFYSA-N 411.510 0.891 30 20 HCED COc1ccc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)cc1S(N)(=O)=O 570754160 LZLMULBGCRLIAT-UHFFFAOYSA-N 417.415 0.971 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)C2)nc1 577397193 HTDGXBDOVNBLCL-INIZCTEOSA-N 403.402 1.152 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H](CO)C2CCCC2)CC1 582151387 VZJBFLNRASEYAD-GOSISDBHSA-N 420.535 0.532 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)C1=O 582745646 SFTGAWZMPWJMGM-AWEZNQCLSA-N 404.433 0.622 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCOC[C@H]3CCOC3)CC2)c(F)c1 588108473 ZJEGWGZQHQDXQY-INIZCTEOSA-N 404.442 0.515 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588653633 PWIIBBJXLPMSDC-GDBMZVCRSA-N 417.466 0.382 30 20 HCED N#CC(C(=O)c1cccc(Cl)c1)=c1sc(=Cc2ccccn2)c(=O)n1CC(N)=O 589159380 PNUDTMQHCUFAPS-UHFFFAOYSA-N 424.869 0.829 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OC)c2ccc(OC)cc2)C1=O 604528160 GUTAXZKFLWICSW-CQSZACIVSA-N 403.391 0.392 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074659 JMRODIRXAJUIQT-UHFFFAOYSA-N 409.389 0.226 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 609109930 VPHAPVGKASCGLF-IBGZPJMESA-N 409.490 0.820 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 609282741 ZFPWHZHYILDROT-UHFFFAOYSA-N 416.478 0.685 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(OC)c(OC)c2)C1=O 726041141 YXFFCXLKOAYUFG-LLVKDONJSA-N 404.375 0.795 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 729257598 IJXZDMOQCMORDL-UHFFFAOYSA-N 411.911 0.641 30 20 HCED Cc1cccc(C)c1OC[C@@H](O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465628 IVDAHQBXUJTJSW-UHHPSXQGSA-N 402.451 0.869 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732466644 QGNVQDSYRXSDRT-QJGXAYKQSA-N 407.471 0.086 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(CCN2CCOCC2)CC1 732467017 SCSDWVWOMYWGNY-VHEBQXMUSA-N 405.499 0.657 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](CN2CCOCC2)C1 742107395 JENKAJJTVZVGBV-OAHLLOKOSA-N 406.508 0.296 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 747735821 ASWBWNXKCSUHFY-UHFFFAOYSA-N 403.504 0.977 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cc1[N+](=O)[O-] 749856919 PIBAGLZAJMPXTI-ZDUSSCGKSA-N 412.427 0.890 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cc(F)ccc3F)CC2)c1=O 749976546 IFOUKZMGPBJLBX-UHFFFAOYSA-N 419.432 0.602 30 20 HCED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCNc1ccc(C#N)cn1 752097477 SIDLSIVCQBPLFL-UHFFFAOYSA-N 410.434 0.830 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1F 757057972 QISFGPMQNYJNMG-GFCCVEGCSA-N 418.454 0.746 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C)ccc2F)c1=O 758077980 WFDVNUQEFKBURK-UHFFFAOYSA-N 413.474 0.646 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758762327 SQYSUEUDSVPAGR-UPJWGTAASA-N 401.489 0.079 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 760009481 YHRGUOKYDBMEGQ-HSIYFOILSA-N 423.495 0.654 30 20 HCED COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 763402244 GEYDMZBBHQLREA-CQSZACIVSA-N 411.422 0.733 30 20 HCED C#CCC(C)(C)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 767662853 APLZCEFOHDSJTB-UHFFFAOYSA-N 422.503 0.916 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N(C)Cc1cnn(C)c1 767677807 BDWACMHJANVCBZ-CYBMUJFWSA-N 419.463 0.160 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O 767680166 LJENBQYDQHOVQD-WBMJQRKESA-N 417.447 0.307 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770581187 BPVPTGCPQYMBOL-XTZNXHDOSA-N 409.801 0.927 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCCC2=O)cn1)c1cc[nH]n1 772432026 DJHFQTRJSDPPCP-UHFFFAOYSA-N 400.395 0.854 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 773488921 NBXDPBUETNVDBV-UHFFFAOYSA-N 407.492 0.815 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)[C@@H]1CCCO1 774840893 GKYMXDMRXOZVKW-ZCNNSNEGSA-N 415.490 0.482 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780051352 RPHPNEIBUZKPBR-HNNXBMFYSA-N 401.467 0.585 30 20 HCED CNC(=O)[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCO1 781826038 OZLUMOZIEWFTBP-JJTVEENBSA-N 423.495 0.478 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O 783346461 AOMFDSKCUZNBPI-UHFFFAOYSA-N 408.885 0.399 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)c1 783464376 FGCXJRKGZQIZGD-UHFFFAOYSA-N 422.441 0.876 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(CC)CCS(C)(=O)=O)cc1C#N 785104300 SDISOJGFZPOIDK-UHFFFAOYSA-N 410.452 0.958 30 20 HCED C#C[C@H](NC(=O)[C@@H]1CC(=O)C[C@H](C)[C@@H]1C(=O)N[C@H](C#C)[C@H]1CCCO1)[C@@H]1CCCO1 791138647 GWNKBEBSLVVFCZ-APLKLUOQSA-N 414.502 0.812 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)C[C@@H](C)C#N)ccc2F)CC1 801137422 CPNLIJVNXSPLMV-ZDUSSCGKSA-N 410.471 0.910 30 20 HCED CC(C)COC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810281794 UWFNOWCSKXBKKH-UHFFFAOYSA-N 408.480 0.773 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cnc(N(C)C)n2C)CC1 811643981 QFGAYHKJEQFQBC-UHFFFAOYSA-N 406.516 0.263 30 20 HCED 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C[C@@H](OC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N1CCC[C@@H](C(N)=O)C1 919549729 UTOXDJYADMIJBY-TZMCWYRMSA-N 410.434 0.595 30 20 HCED Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2Nc2cncc(C#N)n2)cn1 1047703842 HRKYGUMKNWDQSH-XWEXYQFDSA-N 405.462 0.912 30 20 HCED C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)CC1)c1ccccc1 1301004088 SJHIRGNHVMDKAB-OAHLLOKOSA-N 418.523 0.928 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1301042561 VSOQICIZXPGCRW-GFCCVEGCSA-N 403.892 0.821 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)CC1 1316536189 NBMKHDBCRIOKDS-MRXNPFEDSA-N 420.539 0.836 30 20 HCED CCOC1CC(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)(N2CCOCC2)C1 1324700511 LWMYTGSRJCZFHR-ZCXUNETKSA-N 421.498 0.082 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(N3CCNC3=O)cc2)c1 1639014111 URYVKVVXQYOKFN-UHFFFAOYSA-N 413.459 0.683 30 20 HCED CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)cc1 1664672977 OIVPKBQBLZHTOI-MRXNPFEDSA-N 401.510 0.555 30 20 HCED 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BDMCNMSENNEVHW-IBGZPJMESA-N 410.421 0.841 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841610952 MXPKMISIXAMSJJ-CQSZACIVSA-N 404.423 0.551 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1841625779 ADXLZVUYGQPSFA-HNNXBMFYSA-N 417.597 0.816 30 20 HCED C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350024 VAGFRFSMQUPEHP-GJZGRUSLSA-N 409.531 0.335 30 20 HCED C=C(C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCCNC3=O)C1)C(F)(F)F 1843999428 JWUKBNLEKIDFSP-UHFFFAOYSA-N 411.384 0.952 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NS(=O)(=O)CC)C2 1844235222 RJCMZWVPFXYMQL-UONOGXRCSA-N 401.529 0.091 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844796605 QXQQIDZHCSKZMD-CQSZACIVSA-N 403.439 0.546 30 20 HCED C#CCNC(=O)COC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 19019532 JQDUEXYDBJPQDN-QGZVFWFLSA-N 406.460 0.725 30 20 HCED C=CCc1cc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(OC)c1OC 51164459 FWGWUPXRIPZARB-UHFFFAOYSA-N 409.464 0.308 30 20 HCED N#CCSc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)NC2CC2)CC1 52990319 ITIIEPXLRSKWLO-UHFFFAOYSA-N 401.492 0.664 30 20 HCED CCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 58910672 RRFMIXCKTWORQG-UHFFFAOYSA-N 424.523 0.772 30 20 HCED N#CCn1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cn1 139293844 DKHKSQRCIGOQCF-CQSZACIVSA-N 415.431 0.982 30 20 HCED CCNc1nc(NCC)n2c(SCC(=O)Nc3cnn(CC#N)c3)nnc2n1 139313125 YXOICPVYIFIBBI-UHFFFAOYSA-N 401.460 0.834 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)CCO1 409584208 XGYYHFSZMAFIIG-OAHLLOKOSA-N 412.899 0.496 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 438607758 FFJRPFRYRHBRDH-UHFFFAOYSA-N 418.479 0.694 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[C@@H](C)C1=O 440993630 RBTNRTQORNDBNQ-LBPRGKRZSA-N 414.853 1.415 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(OC)c1 442762218 QIBQCZDSFDTAJA-UHFFFAOYSA-N 411.480 0.718 30 20 HCED CCCc1c(NC(=O)C(=O)NCCN2CCNC(=O)C2)cnn1-c1cccc(C#N)c1 443698217 KQBBRYPEWNPKQM-UHFFFAOYSA-N 423.477 0.183 30 20 HCED Cc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 445055558 DSWZXFPTJXPQJR-UHFFFAOYSA-N 419.488 0.795 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(Cc2ccco2)CC1 460615902 VEYGHNYPKDLJNE-UHFFFAOYSA-N 419.445 1.323 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 468404999 HJZGIWLMIWOTMU-JKSUJKDBSA-N 404.492 0.683 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 480156722 YNLDEXCFCORYRM-CQSZACIVSA-N 414.443 0.153 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1 481005169 WIJKHYHXHFRARD-GFCCVEGCSA-N 414.509 0.918 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1c1cccs1 482415753 PSVGOJZRUWWOHV-BLLLJJGKSA-N 418.500 0.986 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)cc1 488814706 ASYVDCZQZIIBIM-AWEZNQCLSA-N 401.510 0.305 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 489014118 OJUREYJQOUTAPN-GXTWGEPZSA-N 417.512 0.654 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)Nc1cc(C)n(CCC#N)n1 504097627 NIKYHOHQEAXLNM-UHFFFAOYSA-N 405.426 0.922 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)cnn2C)c1=O 505690629 UGVICIYLHPFOCG-UHFFFAOYSA-N 417.560 0.440 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)c1 517153749 JKPNNLNMLITYNF-UHFFFAOYSA-N 408.418 0.105 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1Cl 518974650 AZBVCJGSRZUMOY-CYBMUJFWSA-N 421.928 0.978 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nc3nc(CC)cc(=O)n3[nH]2)c1 519238318 YSMOIWAVPUASTB-UHFFFAOYSA-N 402.436 0.697 30 20 HCED COCC[C@](C)(C#N)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 521108321 CATIDMQUIZKYCY-GOSISDBHSA-N 411.480 0.765 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 524979126 UOYBXFHKOFQJID-UHFFFAOYSA-N 403.482 0.404 30 20 HCED Cc1cc(NC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)n(CCC#N)n1 532726246 GKNUCPAWZKNBKS-UHFFFAOYSA-N 405.426 0.922 30 20 HCED C=CCCOCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 536039767 SSNJRELTQUFBAM-HZPDHXFCSA-N 404.533 0.260 30 20 HCED C[C@H]1CN(CCOC2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)C[C@H](C)O1 539105524 FWQDPZVUOZGDIT-GJZGRUSLSA-N 405.499 0.050 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 544335195 LDZMAUGKZBFHHF-QGZVFWFLSA-N 416.478 0.703 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(CS(=O)(=O)c3ccc(C)cc3)no2)C1=O 545533267 OWEPSKPJSBPKKM-UHFFFAOYSA-N 404.404 0.829 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 554435137 JLNTVKVPUZIUMU-SJORKVTESA-N 411.462 0.295 30 20 HCED C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CN1C1CC1 554695094 UFNZYAZDALQAIV-LJHODMEESA-N 409.490 0.517 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)n(CCC#N)n1 557801667 GURFZVOCGFJXJO-KGLIPLIRSA-N 410.500 0.268 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2nccn2C)CC1 562760628 AXKZRESRNCAUDW-CQSZACIVSA-N 416.507 0.744 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@]4(CCSC4)C3)CC2)nc1 572443504 NYJTTZVHPCCTST-UZLBHIALSA-N 415.519 0.773 30 20 HCED CCc1cnc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 576493829 CZPHWTSYGKYFSM-UHFFFAOYSA-N 415.523 0.627 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 583507453 KYZLLRIVYJFWRG-LBPRGKRZSA-N 413.496 0.764 30 20 HCED C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CN(C)CCO1 589138418 GHUAWKIFBOQUKF-LPHOPBHVSA-N 401.511 0.284 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 590131072 WTVAOSURAZUMRQ-CYBMUJFWSA-N 401.510 0.719 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 604033286 CDHBEMKJSBGHSX-UHFFFAOYSA-N 422.532 0.958 30 20 HCED CS(=O)(=O)NCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 604535531 YFNZDZLTEZCSAS-UHFFFAOYSA-N 402.480 0.487 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)CC2)cc1[N+](=O)[O-] 608830695 FXGDFQDIAXXOGG-UHFFFAOYSA-N 404.408 0.776 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc2c(c1)OCO2 609764838 ARUHOWOHRRXDFL-UHFFFAOYSA-N 406.423 0.272 30 20 HCED COC(=O)CN(CC#N)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 609991557 KZWNUXBHKSBWFV-UHFFFAOYSA-N 409.464 0.165 30 20 HCED C[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 727010407 YBRXSSUKACRKMD-VIFPVBQESA-N 400.313 0.608 30 20 HCED N#CCN1CCC(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 730504487 SCMIYEAYQHQGQN-UHFFFAOYSA-N 415.519 0.952 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O 732335774 NLTLVKKREQFFNQ-ZDUSSCGKSA-N 405.794 0.965 30 20 HCED CN(C)S(=O)(=O)N(C)CCOC(=O)CCC(=O)N(CCC#N)c1ccccc1 733698851 ZLPUHSQDSNQWRY-UHFFFAOYSA-N 410.496 0.995 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 735923616 UFGUOOQUTORPMQ-UHFFFAOYSA-N 423.535 0.930 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 735923709 WJLSTFNJBCJDAU-UHFFFAOYSA-N 407.492 0.309 30 20 HCED N#CCCCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1 748114552 UAFIHRMXCXIFFV-UHFFFAOYSA-N 424.479 0.086 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC[C@]3(C)CCC(=O)N3)CC2)o1 751519185 GSLAEGSALUGYHF-IBGZPJMESA-N 403.439 0.495 30 20 HCED C[C@@H](CCCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 756325122 CJMNHROILWQINZ-JEEMYIIMSA-N 410.496 0.715 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 757593720 XXVWVONNWOJONF-SMDDNHRTSA-N 411.484 0.754 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(C)cn2)c1=O 758078079 HEZIZYJZJNWXRN-UHFFFAOYSA-N 410.499 0.292 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)Nc2cnn(CC#N)c2)cc1C 760212779 MHQNIKSFMAXCDA-MRXNPFEDSA-N 418.479 0.575 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 772275117 HWXGHEHAKPCUKJ-UHFFFAOYSA-N 418.435 0.410 30 20 HCED CN1CCC2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1=O 772938827 PLWZUCBPMZYHMI-UHFFFAOYSA-N 418.519 0.976 30 20 HCED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)[C@H]1CCCO1 775349292 UCGMZOQEZWVURL-IEBWSBKVSA-N 421.519 0.684 30 20 HCED CSC[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 776143795 JKTYPQUUEOJEIR-XQQFMLRXSA-N 415.537 0.889 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1)[C@@H]1CCCO1 782126665 YVMJQXRPJAVGDT-PMACEKPBSA-N 412.490 0.586 30 20 HCED C[C@H](O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 783362830 IYWBGSYTXSAMHV-CJOMHGBRSA-N 410.496 0.714 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 784926024 PIOFLTNBJXJWNZ-UHFFFAOYSA-N 403.460 0.131 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)C(N)=O)cc1 786995135 HWCIGHFOBUPNHG-PKOBYXMFSA-N 414.462 0.341 30 20 HCED Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NCc1cccc(C#N)c1)C(F)(F)F 787070219 NVMVFBMDPQFEEL-QGZVFWFLSA-N 409.368 0.864 30 20 HCED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787642777 GOKXSCPCFMMATN-STQMWFEESA-N 409.464 0.453 30 20 HCED COc1c(O)nc(O)nc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789961258 ZIICFTNARZNREQ-CIAFOILYSA-N 421.435 0.962 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 792137808 WJKGWANJIYIJHB-UHFFFAOYSA-N 415.494 0.865 30 20 HCED COC(=O)c1cc(Br)c(S(=O)(=O)NCCn2cnc(C#N)n2)s1 796143210 NZASWTGKBARCPS-UHFFFAOYSA-N 420.270 0.739 30 20 HCED N#C[C@H](C(=O)CCn1cnccc1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 796761773 GCBANQNVBKFCEO-QGZVFWFLSA-N 424.417 0.599 30 20 HCED C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)OCc1cc(O)n2ncc(C#N)c2n1 803467068 TUNLEXCPXGLXNG-HXUWFJFHSA-N 407.386 0.757 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCCO1 804081092 FVBZXWXEKUOKSB-RTBURBONSA-N 412.490 0.139 30 20 HCED C[C@@H](CNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)CC1(C)OCCO1 804401026 DHQCDQSWWZZVEY-OAHLLOKOSA-N 415.494 0.944 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccnc(SC)c2)n1 808330326 CECZKXMFENIELB-UHFFFAOYSA-N 401.492 0.925 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 808769663 ARDIHHWBYRHMJP-IBGZPJMESA-N 419.570 0.391 30 20 HCED 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SBDKKSRFLXCVDZ-QFIPXVFZSA-N 423.554 0.767 30 20 HCED Cc1cnc2c(C(=O)N3CCOC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cnn2c1 1831212893 CNYWJRZHHJGOIT-QFIPXVFZSA-N 423.473 0.521 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1831412984 LBHJSUZBUGFIDE-RYEVTAHJSA-N 423.510 0.466 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCCC3)C2)C1 1831497239 BFCAVIFSVBQZRU-ICSRJNTNSA-N 413.584 0.883 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1832064870 FUIRZYPRWNCXTL-UGKGYDQZSA-N 412.490 0.722 30 20 HCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CS(C)(=O)=O)CC2)CC1 1833490768 XPVBPAJPSDGGHM-QGZVFWFLSA-N 419.613 0.557 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834193054 URTHQALNFKVXIR-KKSFZXQISA-N 419.478 0.430 30 20 HCED COCCOCC(=O)NC1CCN(C2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1834567163 YDUXLSOMNGLYPF-UHFFFAOYSA-N 417.510 0.735 30 20 HCED N#CC1(C(=O)NC2CCN(C3CCN(C(=O)CSCC(=O)O)CC3)CC2)CC1 1834603463 HCIZNCFPSLSBCI-UHFFFAOYSA-N 408.524 0.680 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CN3CCCCC3=O)CC2)CC1 1834607433 MVMSQOQXEFVJJG-UHFFFAOYSA-N 403.527 0.874 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(CN(C(=O)CC(F)(F)F)CCO2)C1 1835335753 MASVGWYATAKFJA-QGZVFWFLSA-N 422.400 0.905 30 20 HCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C3(C#N)CC3)CCO2)C1)C(F)(F)F 1835338738 RHGKETZMPIXSKA-HOCLYGCPSA-N 405.373 0.060 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1835361172 DBBCCBKWMKYQPN-IBGZPJMESA-N 403.439 0.039 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)n[nH]3)CCO2)C1 1835854817 PYHJEIWFNSPYPW-YWZLYKJASA-N 404.467 0.954 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cccc1C=O 1835952308 PRBYVMYOKPYFIB-IERDGZPVSA-N 416.478 0.868 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cnn(C)c3)CC2)CC1 1836859671 AGKVYVGLYCCIAM-QGZVFWFLSA-N 416.522 1.000 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3O)C2)C1 1837399253 PHCRXTHZAQLFBE-DYESRHJHSA-N 419.478 0.430 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(OC)nn4)CCO3)C2)C1 1838346292 QBBJKHNCTRFRME-FQEVSTJZSA-N 402.451 0.521 30 20 HCED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1 1838522156 PFYROSQODWXFAY-OAQYLSRUSA-N 416.478 0.925 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](O)C(C)C)C3)C2)c1 1839450889 LXRRVYCLIXVHOG-SIKLNZKXSA-N 415.490 0.954 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)C1 1839809515 UIPVKGVNXRYWTN-JOCHJYFZSA-N 413.474 0.226 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839843126 RDRHXBRLYUHDBJ-FOIQADDNSA-N 404.467 0.767 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccc(O)cc1 1840043520 DCNHPQBADAUKMB-BTYIYWSLSA-N 416.430 0.040 30 20 HCED Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c(Cl)c1 1840045250 ZEAMRPZDWDCWHD-FQEVSTJZSA-N 420.849 0.806 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1840158138 GKCTTXBXZUHQHJ-VBKZILBWSA-N 422.503 0.733 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840158702 PCSOJKFEIVPTAZ-BDJLRTHQSA-N 400.888 0.518 30 20 HCED COc1nc(C)ccc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840161836 CBMJJQNDHFERLD-AUUYWEPGSA-N 409.508 0.787 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CCC1 1840814905 LPUWUEHFUWFODH-IBGZPJMESA-N 417.422 0.687 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1840877309 PGBLJDYDNSUSEB-UTKZUKDTSA-N 424.494 0.379 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@@H](S)C(C)C)C1 1841628942 YTUAKJFGYUMQFC-CVEARBPZSA-N 407.540 0.615 30 20 HCED CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299295 NINCNNQORVQCJJ-HKJBKDEOSA-N 401.485 0.154 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844411906 RJCYBCPYFIZZDX-UHFFFAOYSA-N 401.423 0.834 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@H]2CC=CC[C@H]2C(=O)OC)C1 1846338140 QNRYDLZAAYUJEH-ZRNVIFCMSA-N 415.490 0.804 30 20 HCED C#CCNC(=O)COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 7246186 ODLWIVNRGYKAHH-UHFFFAOYSA-N 420.491 0.532 30 20 HCED O=C1Nc2cc3c(cc2/C1=N/NC(=S)NCCN1CCOCC1)OCCCO3 17415352 DIDFFWYADKPJIO-UHFFFAOYSA-N 405.480 0.300 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C 427678156 KKFZQZBIYYONMQ-STQMWFEESA-N 418.450 0.856 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cccnc2C#N)c1 428271890 QLWMQJMJLUWDAN-UHFFFAOYSA-N 410.477 0.356 30 20 HCED COC(=O)[C@@H]1CCCN2C(=O)N([C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C(=O)[C@H]12 431597651 VMBOVEFDASFUJL-ZACQAIPSSA-N 410.430 0.875 30 20 HCED C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434605896 JXIYRMVBTYXOFJ-JSGCOSHPSA-N 411.480 0.782 30 20 HCED Cc1cccc([C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)N2CCOCC2)c1 444597979 NRZTVHMLCLIJFI-GOSISDBHSA-N 410.478 1.233 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 446348641 AKDBVYKUOKZRQZ-UHFFFAOYSA-N 409.458 0.790 30 20 HCED N#C[C@H]1N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC[C@@]12CCCCO2 447908552 BRZHFPDQVPZYTO-QUCCMNQESA-N 420.535 0.920 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC[C@H](CN3CCOCC3)C2)cn1 460586962 OUCSKVCRZADZQQ-OAHLLOKOSA-N 409.450 0.258 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 465506130 ZVYNVUDVYMETAE-CYBMUJFWSA-N 421.504 0.651 30 20 HCED COC(=O)C[C@@H]1CSCCN1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 471190960 LYUCWQYSZAGGQP-CQSZACIVSA-N 407.496 0.484 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 471219679 JNMDXRQTCKRJPX-UHFFFAOYSA-N 405.543 0.395 30 20 HCED N#C[C@H]1COCCN1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 471242093 HVUGSQOAKYMDRU-KRWDZBQOSA-N 418.519 0.975 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)CC2)c1C#N 472073545 IIEYYOKPFUNZSE-GDBMZVCRSA-N 403.487 0.068 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC[S@](=O)C3)nnc12 474976993 ZWOQYLMTQPIIRC-YASQENCXSA-N 417.516 0.960 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1C(=O)NC2(CCCC2)C1=O 477897412 UNPAOJFDVDWWAX-UHFFFAOYSA-N 413.434 0.876 30 20 HCED N#CCN1CCC[C@H](CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)C1 479897816 GHPBRLKHXDMZBW-GOSISDBHSA-N 404.536 0.882 30 20 HCED CNC(=O)c1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480227596 QIPFUAXOVISKCB-ZDUSSCGKSA-N 400.460 0.901 30 20 HCED CNC(=O)COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 481803487 FKUJTLOKJCENSH-ZDUSSCGKSA-N 416.459 0.989 30 20 HCED CCN1CCN([C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482182920 QRFOENOKNPEZGD-HZPDHXFCSA-N 407.540 0.367 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(=O)N1CCCCC1 484846614 GQGCDYUURAAMEQ-CQSZACIVSA-N 409.450 0.654 30 20 HCED CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490279419 NWQGFXXFTAYNHW-IAOVAPTHSA-N 406.508 0.739 30 20 HCED COC(=O)C1(NS(=O)(=O)c2cc(C#N)ccc2Cl)CCS(=O)(=O)CC1 501428290 VBANLYJFVIOAFD-UHFFFAOYSA-N 406.869 0.610 30 20 HCED CN(CC(=O)NCCNC(=O)CC1CCCC1)S(=O)(=O)c1ccc(C#N)cc1 506642401 MVVLLACUBKAGCJ-UHFFFAOYSA-N 406.508 0.991 30 20 HCED CCS(=O)(=O)N(C)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512443314 ASNXMGLFUSETAD-SFHVURJKSA-N 413.588 0.425 30 20 HCED CNS(=O)(=O)c1ccc2c(c1)N(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 512467146 ACTWGUYFNPSKML-LJQANCHMSA-N 419.551 0.650 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 513181996 BZZHQEHOYVHSSL-CYBMUJFWSA-N 400.414 0.658 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2C)C1=O 520995557 SGLGADYXYVBTBS-AWEZNQCLSA-N 416.459 0.812 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cscn3)c2=O)cn1 523577772 GIKRCCRETCWSPT-UHFFFAOYSA-N 414.516 0.600 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)N2CCN(Cc3cccc4ccccc34)CC2)c1=O 534241581 GINHHMXFLALGKZ-UHFFFAOYSA-N 417.469 0.916 30 20 HCED CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)c(OC)c1 535599594 XXFJQLJTRSHUFC-UHFFFAOYSA-N 402.498 0.287 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 538546128 FXXAGKOAGAKUDW-CYBMUJFWSA-N 410.496 0.261 30 20 HCED COC(=O)[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCOCC1 540279481 IDXAMRSDBBTBLO-CQSZACIVSA-N 405.455 0.780 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)n1 541142412 OOQGXEHWTXDDAZ-LBPRGKRZSA-N 401.814 0.605 30 20 HCED N#Cc1cccc(N2CCN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC2)n1 544841688 SYHYWHHZFKKWRV-UHFFFAOYSA-N 421.509 0.397 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 550705569 WNXGOPCFQPFEPP-UHFFFAOYSA-N 406.446 0.278 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 558158613 JMEWZLYIMMAGKX-MRXNPFEDSA-N 411.462 0.913 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CCCC1 558327939 IJPMVYGUHRRUCM-UHFFFAOYSA-N 412.494 0.367 30 20 HCED N#Cc1cc(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)cnc1C(F)(F)F 559879193 VAJHZCQTDZVVQW-AWEZNQCLSA-N 411.384 0.635 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N 561731153 WCHQYFYPRPESSE-CQSZACIVSA-N 404.489 0.637 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F 567274818 LOYGFEWLKUIXKZ-ZDUSSCGKSA-N 411.459 0.413 30 20 HCED N#Cc1ncn(CCNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)n1 576656807 HHQVKGRYLCVPFZ-UHFFFAOYSA-N 403.399 0.848 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC[C@H]3CCOC3)CC2)cc1 583276269 UJUSRJGBINEPEB-MRXNPFEDSA-N 413.521 0.621 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1C 589438486 CESCDHSMJDLEPZ-UHFFFAOYSA-N 416.463 0.736 30 20 HCED C=CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H]1CCS(=O)(=O)C1 609214406 NODQIDNENOCRQU-HNNXBMFYSA-N 411.505 0.612 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)no1 610082468 XSOAMWPIICAXDR-UHFFFAOYSA-N 407.427 0.939 30 20 HCED COc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cc1[C@@]1(C)NC(=O)NC1=O 610725182 KXLVCZLBEFIPIY-OAHLLOKOSA-N 407.433 0.879 30 20 HCED C#CCCN1CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 729526606 FOTZXKYCBKCQDU-UHFFFAOYSA-N 406.327 0.939 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c2=O)cn1 732563828 DXRVIAYKCNEPNK-UHFFFAOYSA-N 401.492 0.120 30 20 HCED C#CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 733160907 GMMDYIVJZZETSF-SFHVURJKSA-N 420.491 0.915 30 20 HCED COC(=O)N[C@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C 733554942 JCHPVOHHXUEMGA-HNNXBMFYSA-N 407.427 0.427 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)C1=O 734786281 LWVZSUGCDRYXOD-UHFFFAOYSA-N 405.842 0.356 30 20 HCED C#CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 743970554 POGNSQPYAPGIEU-UHFFFAOYSA-N 423.491 0.574 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)Cc3ccccc3Cl)CC2)CC1 746504717 YMEKOXHBKYMSNB-UHFFFAOYSA-N 402.926 0.804 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 749667825 ZAQDSGZAJDLLQG-UHFFFAOYSA-N 417.485 0.811 30 20 HCED CC(C)[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749728596 PNHADJIXCLVACO-UDWOFDDZSA-N 424.523 0.961 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 753882370 ZQKOSAKDKARFAX-CQSZACIVSA-N 422.507 0.098 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)COc2ccc(S(N)(=O)=O)cc2)C1 758771238 ZVSBBIHRRREIPI-SWLSCSKDSA-N 424.479 0.588 30 20 HCED COC(=O)Cn1cc([C@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nn1 759455198 AFGQTFSBTJGKOX-LBPRGKRZSA-N 421.435 0.561 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)c1C 761984965 VUHTUAVLRCWEOR-MRXNPFEDSA-N 408.418 0.962 30 20 HCED COCC#CCOC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 762781331 LWPKQWLRBNNNCZ-UHFFFAOYSA-N 411.436 0.652 30 20 HCED CN1CC[C@](O)(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 762811240 KIVDVKYTKRGGEG-SAGAUJLNSA-N 409.512 0.688 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCSC[C@H]1S(C)(=O)=O 765639418 DWTWHBALGNGMKL-BXUZGUMPSA-N 417.534 0.171 30 20 HCED N#C[C@@H](C(=O)CCCOc1ccc2c(c1)OCO2)C(=O)N1CCS(=O)(=O)CC1 766364728 JJAIVLMCHQABBE-AWEZNQCLSA-N 408.432 0.540 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)NC2(CCCC2)C1=O 766986132 NJQQQOWFTVMRSI-UHFFFAOYSA-N 406.420 0.236 30 20 HCED Cn1ncc2c(O)nc(NN=Cc3c(Cl)nc(N)nc3N3CCOCC3)nc21 769808511 KGAGKJLXZWZZKA-UHFFFAOYSA-N 404.822 0.377 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774540932 OTQBWJJSTJFASI-UHFFFAOYSA-N 408.483 0.882 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CCO)CC2)cc1 778996213 IJXFKHJPVDIAEC-CJLVFECKSA-N 422.507 0.717 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 782522770 IUXMTECOYFFWKU-UHFFFAOYSA-N 413.431 0.148 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 785063916 DRJSGQZFLAUUHZ-HXUWFJFHSA-N 416.409 0.613 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCN3CCOCC3=O)CC2)cc1 785312704 VCZFZKYLVYFUQC-UHFFFAOYSA-N 421.475 0.361 30 20 HCED N#Cc1ccc(OCCCOC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)cc1 786194799 JYMMFTHSQTVORA-UHFFFAOYSA-N 407.404 0.541 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(Cc3ccc(F)cc3)c2CC)CC1 787315770 VLBKQPRYSVFVRU-UHFFFAOYSA-N 412.469 0.535 30 20 HCED C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCC1 787673247 VYZMGJSIMKYOQQ-GFCCVEGCSA-N 424.435 0.757 30 20 HCED C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)Nc1ccc(C#N)cc1 789115101 RWAXAWZPWFFVPO-IBGZPJMESA-N 414.418 0.656 30 20 HCED C[C@H](OC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 795817795 SSEZMQSLZIFPPN-JQFCIGGWSA-N 403.460 0.818 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)o1 796153176 OKYNVPQZUBXDMQ-UHFFFAOYSA-N 403.416 0.841 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 800075924 MMCYBJKOALPBAP-LSDHHAIUSA-N 403.549 0.853 30 20 HCED COCCn1cc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 800344527 BHBLYDZQFHXJPK-ZDUSSCGKSA-N 405.480 0.663 30 20 HCED C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803516298 VREOPKNPBSBJTP-HUUCEWRRSA-N 406.508 0.437 30 20 HCED CC(C)(C)[S@](=O)CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 806192321 GMHUZXGHLYOIFS-MUUNZHRXSA-N 404.536 0.866 30 20 HCED CC#CCS(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 810776972 PFXKESKPLAVMEU-UHFFFAOYSA-N 411.505 0.755 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 856247240 BHFZGNQUGQJYFB-CQSZACIVSA-N 423.491 0.068 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 902507738 HWIIQQVARCYZLT-LBPRGKRZSA-N 413.452 0.168 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)C1=O 914532335 GDUFEAOPVPIMRN-RDTXWAMCSA-N 416.544 0.808 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)CCO1 1196192906 SHPRROSSCAUSBQ-LLVKDONJSA-N 413.399 0.539 30 20 HCED CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1224127654 RKALGXJUPNJEJL-CKUJCDMFSA-N 408.480 0.754 30 20 HCED Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCNS(C)(=O)=O)o1 1289597874 DYJIDGIWCSIFKI-HNNXBMFYSA-N 419.511 0.572 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CCO1 1299137967 SEGHYJHPEINKHO-INIZCTEOSA-N 421.465 0.437 30 20 HCED Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1304886255 LFHSKYJGEJZOLR-MEDUHNTESA-N 411.463 0.983 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1 1309768971 LYLWDSSFEVBLBF-UHFFFAOYSA-N 418.516 0.731 30 20 HCED CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1314101715 VNROMGHFYFORKU-PMACEKPBSA-N 404.515 0.737 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)CC1 1320371334 VUNKTZSMKDLVQL-INIZCTEOSA-N 422.507 0.378 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2c2nnc([C@H]3CCCO3)o2)C1=O 1347016185 DAFFPBDLDGVNQV-QWHCGFSZSA-N 417.422 0.952 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)CCO1 1505322742 SUXZOWIDGUCORP-CVEARBPZSA-N 402.480 0.547 30 20 HCED CCS(=O)(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1516852626 QCHQOUYVXJBQJM-GOSISDBHSA-N 423.543 0.470 30 20 HCED C[C@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1545126062 WQPFVMGYMSYITJ-HNAYVOBHSA-N 405.478 0.563 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1554493803 JNMWEWTVIBUSSU-UHFFFAOYSA-N 422.493 0.804 30 20 HCED CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1555807571 YCBQOPFYMWNPDM-CQSZACIVSA-N 415.541 0.355 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1618448779 MFPLEJWYWDKHTC-CQSZACIVSA-N 404.496 0.980 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)CC2(C#N)CCCCC2)CC1=O 1622465275 NFKFHSJUMQUMJM-MRXNPFEDSA-N 400.545 0.559 30 20 HCED CN1C(=O)C[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1c1cccc(Cl)c1 1641968009 MVEFPEQKFDDYMA-HOCLYGCPSA-N 415.837 0.810 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1663561040 UVNJCVRGWQEYST-CQSZACIVSA-N 417.557 0.428 30 20 HCED CN(C)C(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1696585389 PSLYKTNNWRYWPX-CYBMUJFWSA-N 422.449 0.801 30 20 HCED CCS(=O)(=O)NCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1710899630 PJFZZVQMZSHXPJ-CQSZACIVSA-N 420.495 0.622 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cc(CO)nn1 1723604011 QNWZGRLDLCXWQO-LJQANCHMSA-N 415.502 0.720 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1741675989 SVWLLDLEEADWEI-YYFZDKIDSA-N 417.514 0.133 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1741699797 XIXAHEYDLPRGHM-UHFFFAOYSA-N 402.480 0.576 30 20 HCED N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1750383212 QIMWFFAEEQLWGB-SFHVURJKSA-N 421.461 0.794 30 20 HCED CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1764755440 PWOFOSUQNCMCTL-MRXNPFEDSA-N 416.507 0.918 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnc1 1779061383 WPXXZGVCJRJVNX-GCJKJVERSA-N 414.506 0.973 30 20 HCED Cc1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)cn1 1779062335 HXNSOVVRNWTDQJ-QFIPXVFZSA-N 412.490 0.927 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779098228 DFDKQVKGAVGEJU-BDHBNYBTSA-N 422.526 0.830 30 20 HCED C#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC(C)=O)OC(C)=O)C1 1779407656 OLUQRQLZYFJBCI-DBXWQHBBSA-N 422.478 0.409 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)CN)CCO3)c(C#N)c1 1781174712 SHTNESKHMZSXHB-QVKFZJNVSA-N 400.479 0.534 30 20 HCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)CN)CCO2)C1 1781292320 XGOMTXHRIRQVJB-QRWLVFNGSA-N 410.515 0.635 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cnc(O)nc1O)C2 1782190246 VBZZWCTVRAUEKG-FOIQADDNSA-N 402.451 0.819 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](O)NC(=O)OC(C)(C)C)C2 1782201318 MFHBDAUTKUCEDJ-PTSWNOGYSA-N 411.499 0.920 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cnnn2)C1 1782606381 HRYPTRVKSLRHQF-MBOZVWFJSA-N 402.499 0.942 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1782647028 GPJAEDGKWAGXEL-RDTXWAMCSA-N 413.544 0.101 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)N(c3cccc(OC)c3)C1)CCO2 1783048737 XCZOKUPOYNLBBI-ZHRRBRCNSA-N 411.458 0.511 30 20 HCED Cn1cnc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4ccc(C#N)cc4)[C@H]3C2)n1 1783439904 CXACRHGGIWPNSX-FHWLQOOXSA-N 422.489 0.913 30 20 HCED COC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1784254552 KCHCAUOGKLKUFH-OAQYLSRUSA-N 414.462 0.677 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc(O)ncn1 1784666068 ATCSWEVTNAKQMQ-ITRPOBFNSA-N 416.482 0.247 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C(F)F)CCO2)C1 1785574520 LYXKPZUOLIRSCS-BFUOFWGJSA-N 415.437 0.998 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN)[C@H]2C1 1786799082 OWEXRDMROZXGJF-QKQGURCUSA-N 422.526 0.394 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C[C@@H]21 1788570780 QZJRHMKNJRXBIJ-WOYTXXSLSA-N 407.511 0.065 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4n(n3)CCC4)C[C@@H]21 1788575464 YBGRUHVMIBESJA-OYSPMZIOSA-N 416.522 0.996 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCNC(=S)NC)[C@H]2C1 1788612783 YEUPBVVHWOJKBP-UGUYLWEFSA-N 412.556 0.041 30 20 HCED 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C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 513569330 XYHMVQKKVZYMMF-AWEZNQCLSA-N 405.451 0.549 30 20 HCED CC(=O)N1CCN(CCOc2ccc(CCNS(=O)(=O)CCCC#N)cc2)CC1 517690720 KLZVBSHRELTIRL-UHFFFAOYSA-N 422.551 0.995 30 20 HCED N#CCCN(C(=O)CCC(=O)NCCN1CCS(=O)(=O)CC1)c1ccccc1 518727132 LTIAJMXRRLXHGK-UHFFFAOYSA-N 406.508 0.560 30 20 HCED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 537151546 RGTZZFRKKKZQEU-LSDHHAIUSA-N 401.515 0.587 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H](C(N)=O)O1 537165778 WMCIHLRPMPYBMC-ZTFGCOKTSA-N 403.458 0.109 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)n1 538065984 MVSZSRCAMFDHNV-CYBMUJFWSA-N 412.454 0.494 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)cn1 543928473 UCMGHWWDKBHRPF-UHFFFAOYSA-N 422.424 0.904 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N(CCO)Cc2cc(OC)ccc2OC)CC1 557732332 ZYDJQSSIRPNBLK-UHFFFAOYSA-N 405.495 0.791 30 20 HCED C[C@H](O)C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 567427913 IQVGILRWIFOWRD-HOCLYGCPSA-N 412.494 0.925 30 20 HCED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@@H]4C3)n2C[C@H]2CCOC2)cc1 569817179 PLOGWMZJXCMIMO-NVXWUHKLSA-N 421.461 0.000 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)nc1 610291960 IIMXLEDOIOXNIX-XNFNUYLZSA-N 423.473 0.591 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccnn3-c3ccncc3)CC2)n1 612850077 GMHQGVNAPXGIJP-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NCCOC)cn1 726112717 ZCCYHXLUPHAGKC-CQSZACIVSA-N 422.511 0.266 30 20 HCED CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732910116 MKMLPRHPJFDHIJ-QZTJIDSGSA-N 415.471 0.916 30 20 HCED C#CCNC(=O)c1ccc(N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)nc1 732912447 KTHQERTWXQQXGG-UHFFFAOYSA-N 417.491 0.950 30 20 HCED C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc(C#N)nc1 734601578 WKTFSHRSSUXNKO-NSHDSACASA-N 400.416 0.735 30 20 HCED Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NCCNc1ncccc1C#N 735195259 KPQSJHQUWMOPIW-UHFFFAOYSA-N 415.475 0.973 30 20 HCED COCCN(CC(=O)N(C)C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742671723 XGZAZVUYINRIIZ-CYBMUJFWSA-N 410.496 0.067 30 20 HCED C#CCCN1CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 744364619 SYPURRZIFDTQHL-OJLWIZQOSA-N 408.502 0.957 30 20 HCED C[C@H](OC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)N(C)CCC#N 745388029 RWPDKCDPSAFEHL-WFASDCNBSA-N 414.418 0.220 30 20 HCED COc1ccc([C@@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)N2CCOCC2)cc1 746343254 ABPHXNXMFFLIPC-GOSISDBHSA-N 412.450 0.543 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 747979992 OQJAKHOGKWLDNJ-UHFFFAOYSA-N 406.508 0.277 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CO)C2)cc1 749694523 SRKLHFQAKNNXMG-GJEKEPIOSA-N 408.480 0.279 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 753291388 IKAZVDUORWYIGP-IBGZPJMESA-N 407.474 0.830 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC1(CS(C)(=O)=O)CCC1 753389444 SKKBAHNQUADMFM-CYBMUJFWSA-N 414.505 0.983 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1C(N)=O 755551238 LNBGSNRTHVAYQD-DOMZBBRYSA-N 415.450 0.908 30 20 HCED C#CCN1CCC[C@H]1COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 756554270 WIDJEFRWKWOULP-KRWDZBQOSA-N 422.503 0.971 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccccc2F)c1=O 758061196 YCRFAYSJJWECTN-UHFFFAOYSA-N 413.474 0.728 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)cc1 766592239 GNTLNRYJHUNUOA-DSPRMBBKSA-N 422.507 0.811 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 770581189 BPVPTGCPQYMBOL-YPMLDQLKSA-N 409.801 0.927 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1 773414902 LBJTWLHNAADFOW-GOSISDBHSA-N 405.520 0.925 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 780614075 LSEIJGGYXPZEJE-UHFFFAOYSA-N 421.483 0.166 30 20 HCED CN(C[C@H](O)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 785082735 GZWQFKOSLZTJEJ-SEPJKUCUSA-N 422.507 0.667 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)C1=O 786376531 IUJKHOQYCNSPSG-SFHVURJKSA-N 412.490 0.784 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795198023 RYAWLICKGYFXFA-PBHICJAKSA-N 423.542 0.783 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)CC1 801795978 HDDGRGOABWRFNJ-MRXNPFEDSA-N 420.535 0.915 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)c2C1 803836325 FDHPXTFADFWIPY-GFCCVEGCSA-N 409.406 0.559 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1)[C@H]1CCCO1 809309299 FEYNSTNFSIRDNB-DLBZAZTESA-N 407.492 0.029 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1)[C@@H]1CCCO1 809311453 VDRPLBIKYOPBEC-MSOLQXFVSA-N 407.511 0.453 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812396674 XLAAURQPAIRHOO-GOEBONIOSA-N 404.496 0.342 30 20 HCED CON(C)C(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 812712294 BVWIGMQBVDUAHV-CYBMUJFWSA-N 408.480 0.483 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)[C@H](C#N)c1cc(C(F)(F)F)ccn1)c(=O)n2C 813211232 GKRKMOSGBCQNOT-SNVBAGLBSA-N 406.324 0.724 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 815077557 TYTBTCCZGOXXJI-YJBOKZPZSA-N 408.499 0.573 30 20 HCED N#Cc1cnn(-c2ccccc2NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1N 819735062 ZJLPXUPHHNEPMD-UHFFFAOYSA-N 409.431 0.762 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N([C@@H]2CCS(=O)(=O)C2)C1=O 914557404 PMPGDNNKTMDPQU-RISCZKNCSA-N 411.505 0.950 30 20 HCED C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 914814052 DBJWCQLDANWOLQ-INIZCTEOSA-N 400.504 0.987 30 20 HCED COC[C@H](C)NC(=S)NN=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 916280763 FKHIQZWRWZBMPQ-AWEZNQCLSA-N 424.523 0.766 30 20 HCED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 1111044965 WZFPGUGPFKMTBF-JJTUDDRGSA-N 400.483 0.257 30 20 HCED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NS(=O)(=O)c1ccccc1C#N)C2=O 1115857061 CTENTQIDDRFCOQ-KPZWWZAWSA-N 404.448 0.864 30 20 HCED CS(=O)(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1153624971 YBGLOLQABWOSTH-UHFFFAOYSA-N 417.447 0.019 30 20 HCED CCS(=O)(=O)NCc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1319065624 JQQKICDOMLMPRM-FBMGVBCBSA-N 406.464 0.382 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)C1=O 1321169394 HWCDWJNTYKHLQH-HUUCEWRRSA-N 409.512 0.208 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1324874649 GJNBXNFJWOQREM-UHFFFAOYSA-N 406.512 0.645 30 20 HCED CN(C)C(=O)OC[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1467872527 JHLANUQVTHMXAB-OAHLLOKOSA-N 408.480 0.916 30 20 HCED COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)cc1 1504314139 OTIOZIFELZBKGF-MRXNPFEDSA-N 400.439 0.683 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(=O)nc1O 1566358695 KBHKQOMVOXCKAI-FUHWJXTLSA-N 411.462 0.210 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)C1 1712876571 QOBLFQUMABYOOC-SUMWQHHRSA-N 410.475 0.148 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCn1cc(CO)nn1 1723337646 GYNZLGAXVGIOET-SFHVURJKSA-N 413.530 0.827 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1761500798 NBWKTMBADKGKNO-KBPBESRZSA-N 411.532 0.101 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1761500799 NBWKTMBADKGKNO-KGLIPLIRSA-N 411.532 0.101 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H]5C[C@@H](O)C5)C4)C3)c2c1 1778135908 LCQFGVKQIHRXAO-LRAJWGHMSA-N 409.446 0.649 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1778721114 DHVTXEUPYDKDJP-IVZQSRNASA-N 411.458 0.412 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CCN(C)CC3)CCO2)C1 1778885617 LQAOYEBPVUOKBV-DENIHFKCSA-N 404.555 0.832 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1779016519 ZRWUCCARDTWDLC-TTYLXTBDSA-N 401.467 0.235 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)CNC3=O)CCO2)C1 1779238800 COFROGYUWITCDD-HXUWFJFHSA-N 406.483 0.361 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(Cl)ncn3)C2)C1 1779814183 NZSWYHXUEAXKOY-LJQANCHMSA-N 420.901 0.855 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)N(C)C)C2 1781797041 QGCAPNFHGCWDNA-RDTXWAMCSA-N 416.469 0.983 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)CCO2 1783112771 VPXYAOKGRCODDK-MNUAXYBXSA-N 408.524 0.831 30 20 HCED CC(C)Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)n(C)n1 1783563254 ZOXNDKBLGARBPT-FQEVSTJZSA-N 402.451 0.150 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)OC(=O)OCC)C[C@@H]21 1784483415 XOIPZZZGPLLRDO-WOYTXXSLSA-N 410.467 0.566 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784536516 YFGLNWGULLZNSD-UVPYHEFZSA-N 414.572 0.628 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785458620 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403.479 0.867 30 20 HCED C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 559006364 PBRNSMVQAIPLQB-MRXNPFEDSA-N 415.498 1.415 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCCCCC2)CC1 559605554 HRAWFVGEUPWEST-LJQANCHMSA-N 421.586 0.450 30 20 HCED CN1CCC[C@H](CN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561710909 SYXRGDJRSPGVLU-RBUKOAKNSA-N 411.506 0.576 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CC(N)=O 562569641 AANBWWXCTZRYHN-GFCCVEGCSA-N 413.499 0.830 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 563694847 CQAMUCFUVCVQIO-HNNXBMFYSA-N 409.412 0.960 30 20 HCED Cc1c(I)cn(Cc2nc(N)nc(N(C)C)n2)c(=O)c1C#N 568142417 LSYJBNSSCSWIFE-UHFFFAOYSA-N 411.207 0.515 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 577329060 FLOJNXNFYAOGTQ-GFCCVEGCSA-N 418.397 0.364 30 20 HCED COC1CCC(C)(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 581218457 OZMYAKVZPVROCC-UHFFFAOYSA-N 416.526 0.960 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(c4ccccn4)C3)CC2)nc1 587648361 WFGBVMHNLBIYKZ-SFHVURJKSA-N 419.489 0.828 30 20 HCED C[C@@H](NC(=O)C(=O)NC1CCN(CC#N)CC1)[C@H]1CN(Cc2ccccc2)CCO1 588128728 IAPFPNGEUSQUNE-YLJYHZDGSA-N 413.522 0.496 30 20 HCED C[C@@H]1CCCCN1C(=O)CN1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 588954681 CIQRAGMVKQPDQP-QGZVFWFLSA-N 419.551 0.746 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 604399945 CUPYLSGLHPYMFG-CYBMUJFWSA-N 416.521 0.761 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 608911761 PETQYEGQGABMLF-UHFFFAOYSA-N 404.879 0.076 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608924563 RMITWYYAVZBHLM-UHFFFAOYSA-N 409.494 0.952 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 611429602 XJTVOSXUBQPUMS-GUDVDZBRSA-N 417.579 0.988 30 20 HCED CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)c2)CC1 615632064 BEZRBUOFUZEGOH-HXUWFJFHSA-N 401.442 0.753 30 20 HCED N#CCc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 619490703 BZYOXKQZLASTEN-SFHVURJKSA-N 414.487 0.634 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 670741603 XRERGSKOJDKUFJ-IRXDYDNUSA-N 409.508 0.449 30 20 HCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)C)C1=O 726404090 RMKNPJDADNGWBY-SYLQMPFCSA-N 412.537 0.926 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CN1CCCS1(=O)=O 726998053 PKOAJKKIRICJLD-UHFFFAOYSA-N 403.420 0.261 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 728532558 BOHAOYGIJRJCPQ-UHFFFAOYSA-N 411.462 0.571 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 728589974 OXFKPLBUNDIBIG-UHFFFAOYSA-N 400.844 0.304 30 20 HCED CNC(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 728678964 SRLRMKASAUABIN-UHFFFAOYSA-N 412.406 0.115 30 20 HCED C#CCN1CCC(C(=O)NC[C@H](NC(=O)C2CCN(CC#C)CC2)C(C)C)CC1 733893419 VOXISVIXZIJHFZ-NRFANRHFSA-N 400.567 0.934 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2nccnc2C(N)=O)c1 742244953 BIIMJTDCGWYSIJ-LPYMAVHISA-N 402.436 0.641 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 747736309 JMRKUMBRWRQJPH-MSOLQXFVSA-N 417.506 0.956 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2OC)c2nccn2C)C1=O 748530606 AZMAZFJYTXIQOT-MRXNPFEDSA-N 411.418 0.611 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)O[C@H]3CCN(c4sccc4C#N)C3=O)cnc21 751635350 AJIWXOSJPOXGQL-LBPRGKRZSA-N 411.399 0.930 30 20 HCED C[C@H](CC(=O)NCCCNC(=O)C1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 752048476 VPCYJGYRBFMADW-CYBMUJFWSA-N 406.508 0.926 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2OCC)c1=O 758058624 NALFMVWVBJIMCV-UHFFFAOYSA-N 423.494 0.304 30 20 HCED CC(C)N1CCC(O)(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 760893932 JSKRBYOEENBASJ-HNNXBMFYSA-N 422.551 0.855 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761153292 JPSWIZQYKZLAQJ-UHFFFAOYSA-N 419.457 0.679 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 765526816 OIDRHUWOJMZDHY-MAUKXSAKSA-N 420.535 0.985 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(C(N)=O)[nH]n1 769440044 HNAXBCUQOQIKQR-NSHDSACASA-N 404.452 0.745 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CC(=O)O 769464188 IITRIXAEMZLDKV-CQSZACIVSA-N 411.480 0.844 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@@H]1O 774407585 XEWZKDNHNUITHX-IGOFQXMBSA-N 408.480 0.277 30 20 HCED CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 774488817 QZFSIQUSYWPCBN-UHFFFAOYSA-N 417.553 0.844 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCN(S(C)(=O)=O)[C@@H](C)C3)ccc2c1=O 776554865 ASLNCGWNANHDCT-LBPRGKRZSA-N 422.532 0.977 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OCCC)cc1)[C@@H]1CCS(=O)(=O)C1 783481209 OUYXSIPNHNSYKU-MRXNPFEDSA-N 406.460 0.841 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc2cccnc12 783951394 NMLCPXRLEPCPAS-UHFFFAOYSA-N 403.467 0.881 30 20 HCED C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783984571 MKMRSRCUAQXLLH-KRWDZBQOSA-N 404.448 0.420 30 20 HCED COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)[C@H](C)C1 785217611 OSNPJLIMCFJCJK-CYBMUJFWSA-N 406.414 0.762 30 20 HCED C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCCNc2ncccc2C#N)C[C@H](C)O1 785869342 JRPNXXFHFUKXML-GJZGRUSLSA-N 402.499 0.485 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 787498689 HNMNHJKWMKIHLU-UHFFFAOYSA-N 410.316 0.865 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 801285885 DDONFRPNHDXEDB-UHFFFAOYSA-N 418.479 0.168 30 20 HCED C#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 810214477 YNDBDDUGHYYOMT-UHFFFAOYSA-N 400.298 0.505 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 915785199 RVWGKTFSMZGFLX-UHFFFAOYSA-N 422.445 0.592 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)CC(C)(C)CC#N)C2)cc1 1211404697 SEYKXASAUZHQTQ-UHFFFAOYSA-N 401.510 0.927 30 20 HCED CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1291795152 OMYHAFMXPXAMQO-LSDHHAIUSA-N 403.487 0.548 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(CCC#N)CC1 1302596551 LACWDVSSZSAASN-MRXNPFEDSA-N 407.515 0.950 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1C[C@@H]1CCOC1 1322078993 BBISBZXEGFSUFU-AWEZNQCLSA-N 411.487 0.049 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)n2)cc1 1361283628 RNMBQVGYZWQADC-UHFFFAOYSA-N 409.431 0.634 30 20 HCED N#Cc1sccc1N1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 1437642535 TXCOQPCJSMPGOR-UHFFFAOYSA-N 403.489 0.766 30 20 HCED CN1C(=O)C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)[C@H]1c1ccc(F)c(F)c1 1455878726 KSSWKPUACBBQJB-WMLDXEAASA-N 417.372 0.577 30 20 HCED CNC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1460773947 ZVFNJONBLAWMNN-HOTGVXAUSA-N 404.540 0.850 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1ccc(F)cc1OCC#N 1466024803 MPZFKMJAKMBIKP-UHFFFAOYSA-N 400.432 0.501 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1476413631 UDISFJXSDPIOBF-DGCLKSJQSA-N 400.482 0.528 30 20 HCED Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)F)CC2)n1 1503687692 RTDLJJFFCDNYHV-UHFFFAOYSA-N 414.424 0.776 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCN(C(C)=O)CC1 1546533682 ZQUZIRZFEAZVIP-GOSISDBHSA-N 400.531 0.181 30 20 HCED COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCC[C@H](OC)C1 1586430204 UHVBKGSDJWSWAB-IIYDPXPESA-N 423.491 0.588 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)NC[C@H]1c1ccccc1 1597154642 UZYRIOZQUKKVOA-KDOFPFPSSA-N 412.471 0.925 30 20 HCED COC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 1617453023 OABNYMOGTIKSON-LBPRGKRZSA-N 402.432 0.723 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)CC2=O)cc1Cl 1636447852 LZJFEPQXMHDPIN-TZMCWYRMSA-N 410.883 0.844 30 20 HCED CC1(C)CNC(=O)[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641835723 JGUFZKDYJMBHCQ-INIZCTEOSA-N 404.492 0.600 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CC[C@](O)(CC#N)C2)c(OC)c1 1664672803 KZGJRSUNSQTQFD-MRXNPFEDSA-N 417.509 0.886 30 20 HCED CN1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)(N2CCOCC2)CC1 1686784429 NERGUVZRYRVBHS-UHFFFAOYSA-N 418.546 0.234 30 20 HCED CS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1698309898 WVPGSZWFMFRRDR-CYBMUJFWSA-N 409.443 0.770 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749269075 MKDBHOFJYMLZAF-RYUDHWBXSA-N 400.892 0.147 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCS(=O)(=O)C1 1767943187 SUAZORCAWYVQJQ-GDBMZVCRSA-N 408.528 0.426 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)c1nc[nH]n1 1777773617 AFVWPYOSAKCLSE-NGZPXXNWSA-N 403.487 0.404 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1[C@H]3COC[C@H]31)C2 1780739819 PYIYVOMDGRHANS-QGAUHXJISA-N 420.506 0.902 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1781266739 ZUWGMPWJTNXZDW-IZRJCCQOSA-N 419.478 0.184 30 20 HCED CN[C@@H](CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1)C(=O)O 1782057406 YFYHWCGIIDSAIZ-UWJYYQICSA-N 414.462 0.373 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2cncn2)C1 1782531214 HSYHQOKPRIJDQS-BZLDKRAPSA-N 419.526 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20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 514751533 JPRFQGPUIJITAX-UHFFFAOYSA-N 407.434 0.272 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(F)(F)F)nc2C)CC1 517330603 OJKAWOOAJMCYIJ-UHFFFAOYSA-N 413.400 0.794 30 20 HCED C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)(N(C)C)C1 519724388 RKZPMAFSSQYZMT-VBKZILBWSA-N 403.531 0.881 30 20 HCED CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1 525495991 WDSFJRVWVFMUBA-UHFFFAOYSA-N 403.482 0.916 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 526035849 ZGJYBEPLZSPYII-UHFFFAOYSA-N 409.446 0.670 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 532706547 XEELTKPEUYCUDM-SFHVURJKSA-N 421.567 0.652 30 20 HCED CCOC(=O)CNC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 532933838 YSFMNYJLNPIRAV-KRWDZBQOSA-N 412.446 0.581 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N(CCC(N)=O)c1ccc(F)cc1 534096152 DQHDXFHWXNZSTO-UHFFFAOYSA-N 401.446 0.776 30 20 HCED CCOC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCOCC1 535471056 ZNAXVLMTXBAKKR-QGZVFWFLSA-N 423.491 0.967 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 537446283 RTYZKZOKQIENGJ-KRWDZBQOSA-N 414.462 0.212 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)C3CC3)n2)c(Cl)c1 541140841 QMVLWZREHOIVHL-UHFFFAOYSA-N 400.826 0.978 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O 541411407 IJUMKTUVJRYMMZ-CQSZACIVSA-N 402.407 0.174 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)n1 545491974 FZZTXPZNLGCVAJ-MRXNPFEDSA-N 418.457 0.844 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)N[C@H]3C3CC3)n2)c(F)c1 551433134 IWPYMQHQVQRSRM-KSSFIOAISA-N 410.409 0.995 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCOc2ccc(F)cc2)CC1 552799673 XWVMKQZCJWHRLW-UHFFFAOYSA-N 406.458 0.157 30 20 HCED C[C@H]1CN(C(=O)C(=O)NCc2cccc(C#N)c2)CCN1c1nccn2cnnc12 556034512 QENLZBDXIZIBPJ-AWEZNQCLSA-N 404.434 0.349 30 20 HCED C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 557440523 CFDHOYWUGYSLPA-DZGCQCFKSA-N 411.441 0.977 30 20 HCED CN1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccc(C#N)cc3)cn2)CC1 559561615 JAIKQIAHFXVPPU-UHFFFAOYSA-N 406.490 0.980 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)C2)nc1 571945198 IMUCEZKTAUDLGB-MRXNPFEDSA-N 404.390 0.547 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)ccc1Br 573215612 XVOQZFLBZHVPAL-UHFFFAOYSA-N 409.240 0.624 30 20 HCED CC(=O)N1CCC(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 573274954 RMRKBJVYZSZQSP-UHFFFAOYSA-N 415.469 0.721 30 20 HCED Cc1ccc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)cc1S(=O)(=O)NCC#N 582198031 HKSDZEPHBAEXAD-UHFFFAOYSA-N 420.495 0.907 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1cccc(C#N)c1 587741169 PVTLQGJRRHPXAX-PBHICJAKSA-N 404.492 0.762 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1 588292945 WXTVOILGEMXMCL-NSHDSACASA-N 402.498 0.822 30 20 HCED COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 588640389 UPYNTUGTFOBEBT-KRWDZBQOSA-N 413.427 0.518 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(OCC(N)=O)cc3)CC2)cc1 604148093 MAQVJXMEYJDXEN-UHFFFAOYSA-N 421.457 0.705 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)N(C)C)cc1 605242081 HNQXZCCVODEDMT-KRWDZBQOSA-N 408.524 0.888 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCO1 608976981 VHHQZUUPPRRLAE-MRXNPFEDSA-N 406.508 0.502 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCO1 609282748 LCVFXUVNFPZXGF-MRXNPFEDSA-N 406.402 0.234 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)c1 610775459 DDKAUCKERWXWRJ-QGZVFWFLSA-N 409.450 0.616 30 20 HCED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1c(C)nc(O)nc1O 727971751 HEDVFMWRAQVMHD-UHFFFAOYSA-N 420.495 0.968 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 728572968 RIKGQCKEVYUTDX-MRXNPFEDSA-N 402.495 0.076 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 731723169 UUWCGJZUFLCUHX-QGZVFWFLSA-N 404.419 0.243 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2sc(C)nc2C)c1=O 736586575 ZUGRDCTTZBANBK-UHFFFAOYSA-N 418.544 0.801 30 20 HCED CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737268941 WHAOMHBPHWCOMV-ISPGYRLHSA-N 410.496 0.715 30 20 HCED CN(C)C1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc2C1 741603043 IFVGGIZUMKJNSQ-UHFFFAOYSA-N 412.515 0.941 30 20 HCED C[C@H](CC(=O)N1CCN(c2cnccn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742525392 BCJWDDPESBCVNL-CQSZACIVSA-N 414.491 0.643 30 20 HCED C[C@@H](CC(=O)NS(=O)(=O)N1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 744060393 ZERBCNNLJRQPBQ-LBPRGKRZSA-N 414.509 0.351 30 20 HCED CCc1nc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccccc1F 744130949 BFGVPWKAWKUUCV-LBPRGKRZSA-N 419.438 0.548 30 20 HCED C[C@@H](CC(=O)N1CCN(c2cnn(C)c2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 746349288 ACEFBKTTZPOIPT-AWEZNQCLSA-N 416.507 0.586 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 749649313 QTNGFCSSIKBBBF-NDEPHWFRSA-N 402.480 0.800 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H](CO)C2)c1 749693669 PLEHZARNLLRPLS-BPHPCYGNSA-N 408.480 0.279 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2occc2Br)c1=O 758055480 PUWOMZLYLKJNCI-UHFFFAOYSA-N 420.288 0.926 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 761031822 DDYTWPTZZQHERQ-SJORKVTESA-N 404.536 0.828 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c([N+](=O)[O-])cnn3C)CC2)o1 766964601 RMYHIWBRTTYOCT-UHFFFAOYSA-N 403.355 0.002 30 20 HCED CC(C)CNC(=O)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628062 OXQGUWMJMMHFLS-LBPRGKRZSA-N 410.452 0.250 30 20 HCED Cc1nn(C)c(C)c1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767674872 GQNFUNLUWONEKM-LBPRGKRZSA-N 419.463 0.757 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)c2cn(CC(=O)OC)nn2)cc1 770699010 IHFHHTMTBAZIKG-LBPRGKRZSA-N 408.436 0.833 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)CC=C)cc1)[C@H]1CCCO1 773798240 PBYILYULLRPCPN-DLBZAZTESA-N 405.476 0.729 30 20 HCED C[C@@H]1COCCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 773912152 DJKMANBSGFNRGF-SFKFPXOQSA-N 408.480 0.685 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cnc21 773974424 CJLGDJKBKOCDHA-ZDUSSCGKSA-N 421.369 0.766 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H]2CCCOC2)cc1 781375861 SHIIHDGUPFPITO-NVXWUHKLSA-N 408.476 0.686 30 20 HCED CCN(CC)C(=O)CSc1nnc(S[C@H](C)C(=O)NC2(C#N)CCC2)n1N 786711416 WRJFNZBHTZPTGU-LLVKDONJSA-N 411.557 0.995 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 789402444 FUPXTRBDRQNWFK-GFCCVEGCSA-N 409.402 0.545 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 789810538 AZACADUDUSOGRW-UHFFFAOYSA-N 403.458 0.383 30 20 HCED C[C@H]1CN(CCN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 790122309 QRIKCWRXBCFWQC-GASCZTMLSA-N 408.524 0.683 30 20 HCED C[C@@H]1OCC[C@@]12CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 792542108 VMICVDQHWDLSTG-IFXJQAMLSA-N 407.492 0.912 30 20 HCED C=CCN1CC[C@@H](OC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1=O 798563011 ZDNNHDUPMUZMFN-MRXNPFEDSA-N 424.475 0.846 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(F)c1 802558373 OMLIMCLYDWHSLS-BMIGLBTASA-N 401.373 0.928 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 803685324 DRAZOWQUEKVBCB-UHFFFAOYSA-N 409.494 0.953 30 20 HCED N#Cc1ccsc1N1CC[C@H](OC(=O)c2ccc(S(N)(=O)=O)c(N)c2)C1=O 803705186 UGCUAIUFAVTRDG-LBPRGKRZSA-N 406.445 0.812 30 20 HCED C#CCNc1nc(NC2CCN(C(C)=O)CC2)nc(NC2CCN(C(C)=O)CC2)n1 804330780 CYOQTKWBFQOKPZ-UHFFFAOYSA-N 414.514 0.762 30 20 HCED C#CCN=c1nc(N2C[C@@H](C)S(=O)[C@H](C)C2)[nH]c(N2C[C@H](C)[S@@](=O)[C@H](C)C2)n1 804647753 BJJXKOVXTKRINC-KXWXEPOPSA-N 424.596 0.030 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)C1=O 808041045 LYLPCFKZACBUKO-JYJNAYRXSA-N 408.499 0.605 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)cn1 811475770 UEONQTWOMQYCIP-UHFFFAOYSA-N 421.429 0.859 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250394 OZJBLOXSBRGWOL-UHFFFAOYSA-N 405.430 0.034 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1Cl 815265939 XUWLICQBUWFFAM-LLVKDONJSA-N 400.844 0.609 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1F 816813997 DZZIPMBGXLOCSG-CYBMUJFWSA-N 419.500 0.396 30 20 HCED Nc1nc(Cl)c(C=NNc2ccc(S(N)(=O)=O)cc2)c(N2CCOCC2)n1 873829067 GMUSQNZPANGNNA-UHFFFAOYSA-N 411.875 0.642 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1 914564765 ALOLCXUEUDJLOT-UHFFFAOYSA-N 421.482 0.423 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(F)c(F)c2)c1=O 916198967 YGINGYGLGNTYGE-UHFFFAOYSA-N 407.442 0.862 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 917855838 DZYKUJNDIQOCEN-SJORKVTESA-N 406.460 0.910 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 921133654 WORMENSUPGJKAV-UHFFFAOYSA-N 412.240 0.943 30 20 HCED Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2NC(=O)c2cc(C#N)c[nH]2)cn1 982372010 OVPJAHSPGXRTSL-XDKCKUNGSA-N 420.473 0.768 30 20 HCED C=CCCn1cc(C(=O)N2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H]2C)nn1 989282133 PGKFDCOLQUSBGE-AAEZLKGMSA-N 403.483 0.625 30 20 HCED C[C@]1(C[C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)NC(=O)NC1=O 1261115514 FHRQNDXYCKQFCY-WDUKFBBWSA-N 409.446 0.890 30 20 HCED CCOCc1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)Cc1ccon1 1297120252 SIXVPYRNZSQDNE-UHFFFAOYSA-N 423.499 0.662 30 20 HCED N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@@H]2CCCN2CCCO)cc1 1302989530 NSLPPODPXGDVEX-SFHVURJKSA-N 409.494 0.600 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)n1 1492732881 XJVVJCAXSRMTGD-OAHLLOKOSA-N 400.487 0.737 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC[C@@H]2COc3ccccc3O2)c1=O 1559415839 KFCPFOKQBXYBHN-GOSISDBHSA-N 424.457 0.508 30 20 HCED CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617429879 WEXYQWBANXWMET-TXUMCGTDSA-N 405.528 0.174 30 20 HCED CC(C)(NS(C)(=O)=O)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644614878 LRORHEDESMEDOS-UHFFFAOYSA-N 416.507 0.925 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1690999864 RKOVBBMHMZTTEW-AWEZNQCLSA-N 404.496 0.876 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCC2 1706864912 RXLNBURKBGQWBT-GFCCVEGCSA-N 419.515 0.214 30 20 HCED CC(=O)Nc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1722807220 WUHDDECJWYZPJU-INIZCTEOSA-N 424.465 0.645 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1728672206 RQFICZYUUQQBDX-UHFFFAOYSA-N 410.482 0.756 30 20 HCED CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(C)S(=O)(=O)CC 1767841401 IHNHCTVMXNBVLZ-MRXNPFEDSA-N 402.496 0.928 30 20 HCED CS(=O)(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1770310600 UDYYAJFGCRTDQW-MRXNPFEDSA-N 416.507 0.960 30 20 HCED N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC1 1771539825 LZPWNLUCHOKRBE-MAUKXSAKSA-N 409.512 0.462 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4ON=C(c5ccccc5)O4)C3)C2)CC1 1778868612 NPGGPNWKPICJLQ-NQIIRXRSSA-N 410.430 0.855 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CCc3nc(N)n[nH]3)CCO2)C1 1778885501 KBZSGNJWOMLXGU-QRWLVFNGSA-N 402.499 0.918 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1778932309 JTCOZLUHPSWHDY-NRFANRHFSA-N 409.446 0.197 30 20 HCED CN1CCC[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)C1 1779066083 AFQQRTHRBGGOTH-AUSIDOKSSA-N 417.550 0.857 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1779528072 BXHZWOBMRRQUCD-OAQYLSRUSA-N 421.413 0.804 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)COc4cccnn4)CCO3)C2)cc1 1780698217 KIGADPAVGMRGIN-OAQYLSRUSA-N 407.430 0.871 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C3(N4CCN(C)CC4)CC3)C2)C1 1781111724 OVERHPCXEZDSFG-QFIPXVFZSA-N 416.566 0.790 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)nn1C 1781394490 ADFMMAWSSXFHGG-LIRRHRJNSA-N 407.471 0.673 30 20 HCED 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421.538 0.139 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)CC2)c1 1836169778 ZMDWIXKYCQMWRY-QGZVFWFLSA-N 412.494 0.350 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2nc[nH]n2)CCO3)c1 1836354930 WVKVVFNEKCGVEG-VFNWGFHPSA-N 424.461 0.816 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CN3CCOCC3)CC2)CC1 1836857711 WQCKPEITNTYCRM-SFHVURJKSA-N 421.538 0.356 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5ncnn5c4)CCO3)C2)CC1 1837167288 SDPLMBKXDOIXDC-HXUWFJFHSA-N 410.434 0.103 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1837398925 KXJBUECKLTVVKK-KKSFZXQISA-N 421.494 0.880 30 20 HCED CC(C)OCC(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559854 BNFHZUXLTBMLHU-KQBANSRISA-N 407.467 0.580 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837663255 STSXQKUPMNHERY-IIBYNOLFSA-N 407.511 0.714 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(C)c1Cl)CCO2 1838311068 KPNATPRZNVAXGW-IBGZPJMESA-N 408.886 0.947 30 20 HCED C[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3Cl)CCO2)C1 1839424747 AMQXCLXRFWOSDP-YJYMSZOUSA-N 407.854 0.662 30 20 HCED CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451769 MKBBVEHPLDTGRM-NRFANRHFSA-N 401.463 0.973 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1)C(F)(F)F 1839892180 YGFIHGFZYRFFCN-INIZCTEOSA-N 416.356 0.371 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)nc3)C2)C1)C(F)(F)F 1839892193 YQAAIFTXLPYJJZ-QGZVFWFLSA-N 414.384 0.974 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4cnccc34)C2)C1 1840042234 HTPFCVGAJVBKMV-QFIPXVFZSA-N 423.425 0.393 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccccc34)C2)C1 1840160970 AIONJIDINVCAFN-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCOCCOCCOC)C2)C1 1840175898 LOHFPIKRGNRFKS-HXUWFJFHSA-N 414.499 0.089 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840481468 WFCIQDZYPCXFHP-HRAATJIYSA-N 419.478 0.255 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)C2)C1 1840844577 CLSCLDSWVMDBDB-IIBYNOLFSA-N 423.510 0.769 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 14521686 IKUMZTUETQRCOC-UHFFFAOYSA-N 413.503 0.997 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NC[C@]3(N4CCOCC4)CCSC3)CC2)c1 31168872 PRKWZULFSSWEOS-HXUWFJFHSA-N 416.551 0.993 30 20 HCED Cc1cccc(N(CCC#N)C(=O)CN2CCN(C(=O)C(=O)NC3CC3)CC2)c1C 51915624 AEJDZIMCDQAPPO-UHFFFAOYSA-N 411.506 0.973 30 20 HCED COc1ccc(CC(=O)Nc2cnn(CC#N)c2)cc1S(=O)(=O)N1CCOCC1 139695174 MLHVAMITXWBGBF-UHFFFAOYSA-N 419.463 0.617 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 430377992 KHMLFGIZUMPBSC-DFEOGRTESA-N 419.501 0.945 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 437484530 OMOKDSHGRFZWFM-KDOFPFPSSA-N 409.508 0.882 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1=O 440250909 ABGHDOHYISQCFR-ZBFHGGJFSA-N 412.446 0.076 30 20 HCED C[C@@H](C#N)CN(C(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)C1CC1 441926988 WNBGFXYOLPPUBH-AWEZNQCLSA-N 401.471 0.770 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443350049 HXEJGNRSMJEMNF-YPMHNXCESA-N 415.324 0.920 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)C1=O 444423093 IBJHBZLILDQWCZ-NSHDSACASA-N 413.352 0.348 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)n1 444519807 NHAPALDMLRNCOS-ZACQAIPSSA-N 406.446 1.008 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 446528300 UWWAUYDLBFFFEY-UHFFFAOYSA-N 420.491 0.029 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)C1=O 447843826 IYRNIFLECQZZCG-UHFFFAOYSA-N 413.390 0.437 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)Cc1ccc(F)cc1 460721553 RSSVGDXRVGIEIL-KRWDZBQOSA-N 422.420 1.245 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)c1 474001244 RDMWDKIRJBUAAI-SFHVURJKSA-N 423.535 0.714 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 479841731 RRRIHBPOHYAFLE-AWEZNQCLSA-N 400.464 0.364 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 479898604 OOWAVAYMLSWEDO-IRXDYDNUSA-N 422.555 0.779 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 481146199 VBXKDHUYFOUKCA-GUYCJALGSA-N 400.460 0.438 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1c1cccs1 482415755 PSVGOJZRUWWOHV-LRDDRELGSA-N 418.500 0.986 30 20 HCED Cc1ccc(C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1S(=O)(=O)NCC#N 489319913 YFCCVOPLBOOBFZ-INIZCTEOSA-N 404.492 0.881 30 20 HCED N#Cc1ccc(OCCNC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1 490519002 FCHBEFFRNGHNJH-UHFFFAOYSA-N 424.461 0.947 30 20 HCED C=CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccnn2C)c1=O 502017724 RGBWZWNTSXFYJE-UHFFFAOYSA-N 407.503 0.699 30 20 HCED Cc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nnn1-c1ccn(C)n1 506867950 PIRGFIRMRQITPL-MRXNPFEDSA-N 404.434 0.712 30 20 HCED C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)OC)C1 508838869 AVKKZPFTBVHBFY-OAHLLOKOSA-N 410.434 0.756 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N(C)CC=C)cc2)C1=O 508974178 BJLKFLHWXHILFY-UHFFFAOYSA-N 420.447 0.408 30 20 HCED N#Cc1ccc(N2CCC(N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)cc1 515093309 HEORBGUMWUQPFV-VQTJNVASSA-N 404.536 0.614 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 515362508 PTMDQRDKKQIORE-QZTJIDSGSA-N 409.508 0.421 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)cc1 517805542 HUOACPSKFFXXGX-HNNXBMFYSA-N 416.521 0.427 30 20 HCED N#C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 518499648 WPLZKPYIJGXEFG-GDBMZVCRSA-N 408.436 0.889 30 20 HCED CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccn3)c2=O)c1 525266065 IKTBBHXIXLVOQF-UHFFFAOYSA-N 406.467 0.942 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 527030596 QKAXUHYDMASTLK-UHFFFAOYSA-N 418.425 0.138 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)N1C[C@H](C(=O)NC(CC)CC)Oc2ccccc21 538548461 KEPKKXIHAQHZTA-QGZVFWFLSA-N 416.478 0.504 30 20 HCED N#Cc1cccc(COc2cccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)c2)c1 539196077 KAIFLAYEXQQUBR-UHFFFAOYSA-N 409.402 0.777 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cccc1C(N)=O 542995520 HTIXRMCUOFZXLK-UHFFFAOYSA-N 408.418 0.348 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCN(C)C2CCCCC2)CC1 551048813 QMEWNCXBLFAUHS-UHFFFAOYSA-N 407.559 0.204 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 551584441 FKAVKYPLHNJLJZ-CQSZACIVSA-N 410.427 0.683 30 20 HCED COCCCOCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 554692866 ZOBDGTUBIYVEOA-SFHVURJKSA-N 416.478 0.681 30 20 HCED CC(=O)NCC[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 558154728 AICWPLXXKXAWEN-QGZVFWFLSA-N 402.499 0.742 30 20 HCED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 562149118 GTRLJIDUSDVWFK-SJORKVTESA-N 407.492 0.615 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccccc2CN2CCC[C@H]2CO)n1 567537914 BCZAFHNPAKWCLQ-IBGZPJMESA-N 424.505 1.547 30 20 HCED CSCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C 569614275 UJQMCTICKUAZJF-DOMZBBRYSA-N 412.537 0.551 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)C1=O 576506547 UZFFBNJOBPBQEB-FCGDIQPGSA-N 415.490 0.973 30 20 HCED Cc1nc([C@H]2CCCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)n[nH]1 576511329 SZODDIGLAZXDPX-ZDUSSCGKSA-N 405.422 0.910 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 581324984 ZTTLWWCEVBXNCU-AWEZNQCLSA-N 413.459 0.277 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)C1=O 581446417 VMJPWQPCZOWRAA-BBRMVZONSA-N 422.507 0.017 30 20 HCED Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 582994960 CBRMLVHFPTWEJN-HNNXBMFYSA-N 414.491 0.672 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)Nc2cc(C#N)ccc2NC2CC2)n(C)c1=O 586819553 CAWNIWBZDKOCPN-UHFFFAOYSA-N 407.434 0.908 30 20 HCED COc1ccc(Cl)cc1NC(=O)CCNC(=O)C(=O)NC1CCN(CC#N)CC1 588123712 GYQCCBDINIJTDB-UHFFFAOYSA-N 421.885 0.898 30 20 HCED COc1cc(OC)c(CCNC(=O)C(=O)NC2CCN(CC#N)CC2)c(OC)c1 588125619 HCEDTJHYSQLCQR-UHFFFAOYSA-N 404.467 0.475 30 20 HCED C[C@@H](C(=O)NC[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 603783239 ZECLWQGXUWNZAZ-DOTOQJQBSA-N 406.508 0.548 30 20 HCED N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608911277 YFHSAEIJKZLXFV-UHFFFAOYSA-N 412.427 0.176 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1C1CC1 609220108 FQBZKPDODXBYGU-UHFFFAOYSA-N 401.463 0.958 30 20 HCED CC(C)[C@H](C#N)N1CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 609539334 XRVVEUQQABOVOQ-KRWDZBQOSA-N 401.577 0.328 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc(C3CC3)nn2)CC1 610752831 AMVXRTHHEHUCPD-UHFFFAOYSA-N 400.464 0.560 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 610776390 NWMYJYJHJANQDB-GDBMZVCRSA-N 424.465 0.400 30 20 HCED CC(C)[C@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 611409196 DGYHUNIAPGKQDS-ICSRJNTNSA-N 401.486 0.991 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc3nsnc23)C1=O 726042690 FFIIRFPGRFGYIE-UHFFFAOYSA-N 403.376 0.150 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)CC1 728534601 PXZKEBPHGZHWPY-KRWDZBQOSA-N 412.490 0.332 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC2CC2)c1 731130699 RULPHIJZYJRQPZ-OQKWZONESA-N 422.507 0.981 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4ncccc34)c2C)CC1 731344113 PYUCEHPHWLQFFZ-UHFFFAOYSA-N 417.473 0.631 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C)c(F)c2)c1=O 731494628 ZRAIQOXTZHHUBH-UHFFFAOYSA-N 401.463 0.785 30 20 HCED CN1CCN(C)[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 732149724 NNLUFLZKWKBHLM-MRXNPFEDSA-N 421.567 0.648 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccccc2)c1=O 732664167 LLPUFDOGRCIMAR-UHFFFAOYSA-N 415.540 0.635 30 20 HCED C[C@@H]1CN(C(=O)COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 733832275 HYFZZLMAMAUUJU-CZUORRHYSA-N 414.418 0.554 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCN(CC(F)(F)F)C2=O)cc1 735704449 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30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1831401389 BCWYNNFKNOFCHX-VGOFRKELSA-N 416.474 0.429 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](N)c3ccccn3)C2)C1 1831424638 LOUPYEHJIZEECO-HGHGUNKESA-N 418.494 0.129 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2C2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CCC1 1832783791 OVBHFPGRWPGDDJ-IRXDYDNUSA-N 403.527 0.893 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cncnc3)CC2)CC1 1833463503 NKBGAGYMGFUWNO-QGZVFWFLSA-N 413.522 0.629 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833513503 XWRKJYBAOSWBHW-YOEHRIQHSA-N 423.514 0.467 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834249200 QSDYUWJBKUZNDV-HNAYVOBHSA-N 407.471 0.291 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncn3C)CCO2)C1 1834326393 BCQGTQGLCWJIAC-UZLBHIALSA-N 406.483 0.063 30 20 HCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1834398272 MFHMMGMIXOUPMR-BLLLJJGKSA-N 420.539 0.274 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2)C(F)(F)F 1834597641 MMKBXOHWRJAASU-KRWDZBQOSA-N 416.352 0.828 30 20 HCED Cc1nc[nH]c1CSCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834760369 APIRZVFNTOLJNL-GOSISDBHSA-N 407.496 0.321 30 20 HCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1834850198 BGIZVHQJZWDOLQ-QFIPXVFZSA-N 414.458 0.448 30 20 HCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1834973744 LWNHHFFDDVPYBZ-IBGZPJMESA-N 407.854 0.928 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(Cl)cnc4O)C3)C2)CC1 1835339314 MDBTYJXYQSQJIP-IBGZPJMESA-N 420.853 0.814 30 20 HCED CC(C)Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n(C)n1 1835354518 MWPPSLQCBUWYMC-OAQYLSRUSA-N 417.510 0.992 30 20 HCED COC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835364224 NAUBFRYBIJBPFQ-CBGDNZLLSA-N 419.478 0.502 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CC)NC(N)=O)CCO2)C1 1836483390 ARNHDCJHMJOOMS-DYVFJYSZSA-N 418.441 0.101 30 20 HCED 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N#C[C@H]1CN(S(=O)(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)CCO1 410145075 ZSBBNQBZWQGKDN-UONOGXRCSA-N 400.457 0.608 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 438749975 FGQCHFHTKWBGTI-UHFFFAOYSA-N 415.494 0.791 30 20 HCED CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C1 441851205 SMKQFGRADQPHPA-QZTJIDSGSA-N 413.478 0.542 30 20 HCED CNS(=O)(=O)c1cccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 443093563 MTOCYJMMJQSUIU-UHFFFAOYSA-N 410.433 0.853 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 446525498 YEXCWHHFOIOFEY-LSDHHAIUSA-N 421.475 0.700 30 20 HCED COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cn(C)cn2)cc(OC)c1OC 446971533 MNTJFDMIIFMHGG-LBPRGKRZSA-N 423.451 0.105 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462017137 RFTSOZHWBZWSRM-MRXNPFEDSA-N 424.509 1.512 30 20 HCED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 470465823 JXUYQAQQRINFNE-MRXNPFEDSA-N 420.535 0.890 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccccc3NS(C)(=O)=O)CC2)c1C#N 473001666 PKGQLWQSFZHTCS-UHFFFAOYSA-N 402.480 0.934 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 474480920 VPFWZKCWBRXYDJ-LBPRGKRZSA-N 401.452 0.002 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cc1 480958177 PABWAJLXWFFLGO-UHFFFAOYSA-N 424.482 0.982 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cn1C 481063663 XNEMOQQKMVNPLN-UHFFFAOYSA-N 409.493 0.295 30 20 HCED COC[C@@](C)(CC(=O)OC)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 487994508 YJXGAXMQAOMQAH-MGPUTAFESA-N 416.434 0.848 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)cc1F 489117784 QXAFDDGIOUYHAC-UHFFFAOYSA-N 404.471 0.978 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1F 489243147 VVRSIKNDAGOJKG-UHFFFAOYSA-N 418.454 0.505 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cn1C 493966718 LFNSASJZGZFOMZ-UHFFFAOYSA-N 413.463 0.585 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1 502054881 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30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)C1 1834756399 YXTTUXSXGFTVCD-FQEVSTJZSA-N 416.434 0.897 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1835680751 LCBYWKBUOGUKEF-JXFKEZNVSA-N 424.567 0.620 30 20 HCED C[C@@H](Nc1cccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1835686416 AHUDABLSXVWUOK-UZLBHIALSA-N 401.467 0.642 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ncnn3C)CC2)CC1 1835713920 NYISPYOMKGJXBR-QGZVFWFLSA-N 418.542 0.573 30 20 HCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1835731334 BCODTHNLEDVDSJ-MHIQDMOBSA-N 416.570 0.558 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@@H](N)C(N)=O)CCO2)C1 1835734775 JDDCMDQVXOIBJF-IERDGZPVSA-N 424.542 0.028 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC2)CC1 1836875777 LUIYZTHQDFNHES-KBPBESRZSA-N 420.597 0.984 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836944940 SDDYNMIXKYVHEN-ORAYPTAESA-N 404.492 0.951 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)Cn4ccnn4)CC3)CC2)CCC1 1837983657 QQSKRAXDLNWABY-UHFFFAOYSA-N 400.483 0.971 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)n(C)n1 1838048391 WNJDBXGVPZEJNM-OAQYLSRUSA-N 415.494 0.746 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)c1 1839422075 AXRAVIPDJSKHJF-HRAATJIYSA-N 417.437 0.804 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1839808798 BGCURBNJIGVYEW-OAQYLSRUSA-N 402.447 0.151 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3nccs3)C2)C1 1840160609 NBXBXXDUAWCAKR-IIYDPXPESA-N 414.553 0.718 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1c(C)nn(C)c1C)CCO2 1840438279 XKMKCVLRNMSQNM-NRFANRHFSA-N 402.495 0.449 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(O)cn1)CCO2 1840498602 RWMBSEIGSUOJCM-JOCHJYFZSA-N 415.490 0.980 30 20 HCED CN1CCC(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1840811180 AJAQFVAWKRVABR-JOCHJYFZSA-N 418.538 0.869 30 20 HCED C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840900852 STVAOBHUCQLRGS-IERDGZPVSA-N 414.462 0.175 30 20 HCED CN1CCN(C2(C(=O)N3CC4(CCCN4C(=O)/C=N/N4CCCCC4)C3)CC2)CC1 1844259544 DHSZUYPXDSZCAN-XQNSMLJCSA-N 416.570 0.442 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)[C@H]2CCCS2(=O)=O)C1 1845915707 ICQHXWHSNKESAC-QGZVFWFLSA-N 417.487 0.718 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)c1cnc(O)[nH]1)C2 1847070437 WLPNOIGJYSXZKO-CYBMUJFWSA-N 417.466 0.849 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C)n2ccnc2n1 1847262608 WZTRBDDIEHPPDW-FEFZKZJHSA-N 408.462 0.712 30 20 HCED C=CCC(CC=C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1 1847533016 YHHGDNDSTYXNST-ROUUACIJSA-N 409.552 0.687 30 20 HCED N#CCN(CC#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 60336234 SEWBJPQMQLUKDX-UHFFFAOYSA-N 403.464 0.175 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\C[C@@H]3CCC[C@@H]3NS(C)(=O)=O)NC[C@@H]2C1 304993078 DUNTXNUQHPTFKN-ZNMIVQPWSA-N 415.560 0.585 30 20 HCED CN([C@H](CO)c1cccc(Br)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 409484231 GMWFALDFBMXLGO-ZIAGYGMSSA-N 404.286 0.883 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 409500234 JOUAQMBTHBTMEP-FUHWJXTLSA-N 408.524 0.772 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 426025394 VKHAAPPPWLEYLF-UHFFFAOYSA-N 420.447 0.204 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 429157543 VMGSNYZLKLHFFC-QGZVFWFLSA-N 408.528 0.238 30 20 HCED COC(=O)[C@@H]1CCN2C(=O)N([C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C(=O)[C@H]2C1 431596013 MPFZQZHWSUIBTH-IXDOHACOSA-N 410.430 0.875 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 437484534 OMOKDSHGRFZWFM-RDTXWAMCSA-N 409.508 0.882 30 20 HCED N#Cc1ccc(OCC(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 438607111 ZVBQZURROJEALO-UHFFFAOYSA-N 420.413 0.914 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)n2)c1 442038805 AMJPCTRUKDNJPL-ZDUSSCGKSA-N 410.415 0.383 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(C#N)cc1F 442311107 ZJWPSCNNCUPGCV-KBXIAJHMSA-N 403.366 0.587 30 20 HCED N#Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2ccc([N+](=O)[O-])cc12 443485625 GFBFHLDLDIIRBM-IRXDYDNUSA-N 417.447 0.295 30 20 HCED CN1CCC(CNC(=O)C(=O)Nc2ccn(CCC#N)n2)(N2CCCCC2)CC1 444517648 GEEJJPPPAXKPCS-UHFFFAOYSA-N 401.515 0.802 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CCN(C)C2=O)CC1 445262621 WJTPPQJWVZVULJ-AWEZNQCLSA-N 404.492 0.696 30 20 HCED CCN(C(=O)CNc1nn(-c2ccc(C#N)cn2)cc1C)[C@H]1CCS(=O)(=O)C1 460764965 IEDJXULGMRVAKU-HNNXBMFYSA-N 402.480 0.895 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 461750529 PLDFGDOWHRPROM-UHFFFAOYSA-N 415.435 0.644 30 20 HCED CCOC(=O)c1sc([C@H](C)NC(=O)C(=O)Nc2ccn(CCC#N)n2)nc1C 465337763 QAGJFPPLVLKTOQ-NSHDSACASA-N 404.452 1.554 30 20 HCED C=C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 465351968 ASYDYVJGGUXIEF-INIZCTEOSA-N 422.489 0.997 30 20 HCED COC(=O)c1ccsc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465427585 YKHQJFWBEUWPHP-NSHDSACASA-N 414.447 0.872 30 20 HCED CCCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 467530822 IRLYJUZERUGOJY-UHFFFAOYSA-N 403.464 0.702 30 20 HCED CCCNc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 468754152 AFJAVDNVPCCWCE-UHFFFAOYSA-N 404.452 0.724 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](C(C)C)N3CCCS3(=O)=O)CC2)c1C#N 472266383 WLUQUMRSHAMGRT-INIZCTEOSA-N 408.528 0.309 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 479772279 OLSGVBGFEAHDCE-NSHDSACASA-N 408.461 0.511 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 484593094 SPWNFPNKNKXDIO-UHFFFAOYSA-N 413.524 0.460 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)c1 488810711 BBMHELYEXXVHDL-AWEZNQCLSA-N 401.510 0.305 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccccc2F)c1=O 489124119 ZGKMWTPYXKPEGT-CQSZACIVSA-N 401.463 0.867 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)ccc2Cl)CC1 491246829 KVFOVGLNSMRQIB-UHFFFAOYSA-N 421.885 0.683 30 20 HCED N#Cc1cccn(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1=O 499028052 XKUXLXWDMNBJLK-UHFFFAOYSA-N 402.432 0.380 30 20 HCED CCn1c(=O)c(C(=O)Cn2cnc(C#N)c2C#N)c(N)n(Cc2ccccc2)c1=O 499482498 AYEFGWIRTJIHLI-UHFFFAOYSA-N 403.402 0.483 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C1=O 501438116 NNXADMQLHVYYKA-ZDUSSCGKSA-N 406.826 0.855 30 20 HCED C=CCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 506861303 LEYJWNVLLNSHFS-AWEZNQCLSA-N 419.507 0.806 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc2)CC1 509660186 XHBUQSBQPDMRNR-UHFFFAOYSA-N 421.504 0.690 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(=O)N2CCSCC2)CC1 512467848 GKIQVFOMYKTPJM-ZWKOTPCHSA-N 407.584 0.719 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(C)C)cc2)c(=O)n1C 518549948 DZSPSJLKLGTDHN-UHFFFAOYSA-N 415.515 0.747 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CC(N)=O 524282101 PQMQVKJDFIXPOI-UHFFFAOYSA-N 418.906 0.324 30 20 HCED Cn1cc(C#N)c(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1=O 534978447 AGQSJIOFNDKFGS-UHFFFAOYSA-N 419.323 0.657 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)NCCCC#N)c(=O)n2Cc1ccccc1 541295981 JNOCDWIGIQGDTK-UHFFFAOYSA-N 424.461 0.474 30 20 HCED C[C@@H](CNC(=O)C(=O)NC1CCC(Oc2ccccc2C#N)CC1)S(N)(=O)=O 542889452 WMCAAAHJJJKTLV-GRTSSRMGSA-N 408.480 0.158 30 20 HCED C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 547498817 JDNQZSKYZKNSEP-UHFFFAOYSA-N 417.490 0.958 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(C(=O)NC(N)=O)c2)cc1 549583301 SPWWWFDVAYRURC-UHFFFAOYSA-N 400.416 0.920 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 553354510 UHZVXVDTMVVMAN-UHFFFAOYSA-N 421.429 0.859 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2CCCOC)c(=O)n1-c1ccccc1 555426460 ZLBNSQROOHMYGH-UHFFFAOYSA-N 423.498 0.381 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)cc1C(F)(F)F 562321443 CEASWFBNKSSRDI-PELKAZGASA-N 405.354 0.916 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2F)C1 562326513 QBXVWAOPQVTULZ-CQSZACIVSA-N 419.500 0.758 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC2(O)CCS(=O)(=O)CC2)c(C(F)(F)F)c1 563827100 PWXPRGCGTDLREB-UHFFFAOYSA-N 412.411 0.795 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 570907485 HRYYIBXHCFMCJP-LJQANCHMSA-N 405.455 0.862 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)n1 576198323 JXGSPKBOYODWRN-ZDUSSCGKSA-N 408.422 0.140 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(=O)N2CCc3ccccc3C2)c1 578562516 JVZYKDDHGPCGRT-UHFFFAOYSA-N 412.471 0.538 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C 585761262 MDSHZXQNWILGCK-GJZGRUSLSA-N 414.466 0.660 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)CC1 589159754 PYIZXEUOSITPSP-HIFRSBDPSA-N 401.467 0.740 30 20 HCED C[C@@H](NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccc(C#N)cc1 609826499 ZYLZAABYRZWYPK-OAHLLOKOSA-N 421.523 0.960 30 20 HCED CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1 609955381 ZBKDFXNVZMBWDX-MRXNPFEDSA-N 415.450 0.161 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(C[C@H]4CCCO4)CC3)CC2)o1 610002753 KFJNGDLXRHFJPL-GOSISDBHSA-N 416.526 0.690 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)CC2)nc1 614258515 JWNDNJSOCPKCFX-OAHLLOKOSA-N 415.479 0.863 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 685725274 VQGQNENMUQLVDI-GOSISDBHSA-N 409.464 0.178 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C1CC1 726671247 QTFURZWWGXWPIL-GOSISDBHSA-N 407.448 0.347 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](c3cccc(F)c3)C2)c1=O 727424984 FQAPLILNIFLGOS-KRWDZBQOSA-N 402.426 0.714 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccco2)CC1 728536156 MPJKAWBKEDFNCY-OAHLLOKOSA-N 406.508 0.025 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N(C)CCC#N)cc1 729602497 OYIASPAVBAYFAN-CQSZACIVSA-N 409.464 0.861 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 732490240 APVNIHZJEMLJEC-KRWDZBQOSA-N 423.491 0.242 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 742065393 CDEWFLSBSHGTKN-UHFFFAOYSA-N 410.430 0.620 30 20 HCED Cn1c(=O)c2cc(C(=O)OCC(=O)Nc3ccc(CC#N)cc3)cnc2n(C)c1=O 746944427 IPRBJZAQEAUCMG-UHFFFAOYSA-N 407.386 0.494 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 748425848 GLPJNQWOHIMBKZ-UIORMTCPSA-N 411.484 0.393 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(OC[C@H]2CCCO2)CC1 751346527 LWSGJBVKHOTXOJ-OAHLLOKOSA-N 407.492 0.912 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cnc3c(c2)COCC3)C1 755533959 DSIZCKKZPFJKDS-XJKSGUPXSA-N 415.450 0.968 30 20 HCED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(C(=O)O)ccc1F 756895305 MBWPFSQNBDIQPU-UHFFFAOYSA-N 412.399 0.014 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 757580217 UMRDZCJODBPDHS-UXCNFHJLSA-N 403.439 0.778 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 758067027 FIDVNMXKTWEWNV-UHFFFAOYSA-N 415.858 0.217 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 767674850 GGRUHIRAQWPBPL-KZULUSFZSA-N 404.448 0.577 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2ccc(O)cc2)cc1 769657182 ODHRJUCKCZUROH-KRWDZBQOSA-N 402.428 0.948 30 20 HCED C#C[C@@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 769961839 NVCRYPZYWOEBFV-OAHLLOKOSA-N 407.492 0.244 30 20 HCED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)C1=O 771548122 UILDIQBNNFXBLD-LJQANCHMSA-N 407.390 0.876 30 20 HCED N#C[C@H](Cc1ccc(F)cc1F)OC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 774333474 DSYQXZLCNNMTTE-SNPRPXQTSA-N 412.414 0.978 30 20 HCED CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 779369667 XGELDPXSKZIKFK-JAGAYZLESA-N 412.490 0.998 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1 785436456 ROSPOKVRGDJXHH-MRXNPFEDSA-N 405.520 0.923 30 20 HCED N#CC1(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCCCC1 786358373 HTVOGZJMXAKUEN-OMNBBPDLSA-N 403.435 0.425 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)n1 790423835 AILAHNUVFRFKJS-UHFFFAOYSA-N 403.423 0.428 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 793204851 MCZWASIVYKJCDI-LLVKDONJSA-N 403.507 0.651 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(CCCO)Cc1ccccn1 794350128 CNCWLHZJTHUPQT-UHFFFAOYSA-N 402.476 0.921 30 20 HCED CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 808036653 FMRORQWYJVWTBD-GOEBONIOSA-N 416.482 0.855 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c1 810940068 YGGHKZVSKQTYHL-SJLPKXTDSA-N 403.460 0.437 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 814551987 ZAHJYAWJQRHKLU-OAHLLOKOSA-N 412.464 0.898 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC(=O)N(C)C1=O 819721412 SFNJUXSFXXSIEQ-QWHCGFSZSA-N 406.464 0.013 30 20 HCED CCOc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC(=O)NCCOC)cc1 914550656 RDZPGOSYFAUEDK-OAHLLOKOSA-N 422.507 0.916 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)cc1 915750095 CRULBXZGMLWWSF-UHFFFAOYSA-N 416.459 0.893 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)Cn1ccc(=O)n(C)c1=O 917507172 QGSPHFWSXASHOE-LBPRGKRZSA-N 400.391 0.260 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301975566 VPDAGOSPPQGTAO-KSSFIOAISA-N 404.496 0.409 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318047728 FCNKSPGGXLQAOU-NVXWUHKLSA-N 409.490 0.722 30 20 HCED C[C@@]1(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)NC(=O)NC1=O 1339908944 VSGFERXJNSTMCL-QKKBWIMNSA-N 409.446 0.748 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)Cn3ncn4nccc4c3=O)CC2)c1 1357659721 QYAPBBRKJIIMDV-UHFFFAOYSA-N 405.418 0.640 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1359075870 JDXWDKXHVBBKDJ-NSHDSACASA-N 412.292 0.539 30 20 HCED Cn1cc(CNC(=O)NC[C@]2(O)CCS(=O)(=O)C2)c(-c2ccc(C#N)cc2)n1 1469756242 LSYAHBXHAVIZED-GOSISDBHSA-N 403.464 0.308 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1541116579 QWFWUQFKVAEFFF-IKGGRYGDSA-N 424.571 0.744 30 20 HCED CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1615444169 NHWKYWHNJXXSLI-JKSUJKDBSA-N 410.544 0.641 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1631886858 YUHFVTDXHMURSS-OLZOCXBDSA-N 405.455 0.972 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1648940242 SJKDGKKCAYQCLV-UHFFFAOYSA-N 409.487 0.522 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN(CC(N)=O)C(=O)C2)n(Cc2ccco2)c1C 1658952935 OWKAJNHUGOLSMS-UHFFFAOYSA-N 412.450 0.186 30 20 HCED CC(=O)N1CCC(N(Cc2cncs2)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1669386468 NHVOFACMFANLTC-OAHLLOKOSA-N 413.525 0.425 30 20 HCED CC(=O)N1CCN(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1749885584 WAHCWBDVISJRFT-OAHLLOKOSA-N 404.519 0.319 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1777804114 YQZXFHRWNPXERG-LJQANCHMSA-N 420.805 0.600 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(O)nc(O)c3)C2)CC1 1777847912 DJPVPYIKTXSJAW-JLTOFOAXSA-N 400.435 0.924 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160148 JOJODCLDFMHSEL-LQOIVRHRSA-N 421.498 0.130 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1779069739 WVPCYOSRTGHGEF-QFIPXVFZSA-N 404.507 0.820 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1780100645 HKZQCTXVTFLLGD-NRFANRHFSA-N 415.494 0.111 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1780250990 YIQBONIFVDFJHB-NRFANRHFSA-N 423.429 0.164 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CC[C@@H]4CCC(=O)N4C3)C2)C1 1781050692 KFRIIFVVHWOGCN-IDVKNYFZSA-N 419.522 0.808 30 20 HCED C=CCC(=O)N1CCO[C@@]2(CCN(C(=O)COCCNC(=O)OC(C)(C)C)C2)C1 1781202767 NLXGQCSCSHNTCD-HXUWFJFHSA-N 411.499 0.934 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781295287 LPDSTTONJDQHPM-LHSJRXKWSA-N 416.453 0.581 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cc(O)n[nH]2)CCO3)ccc1F 1781298433 IDWOCXIVFFUSIH-FQEVSTJZSA-N 413.409 0.812 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781399193 AJNWCAKYMZPLDF-OXQOHEQNSA-N 407.515 0.899 30 20 HCED CN(C)C(=O)NCC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781784095 CPRDQCYEEAJMOM-OAQYLSRUSA-N 413.478 0.467 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1782186057 QYSGFPGJBUDVPZ-SQGPQFPESA-N 412.552 0.985 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783052506 AGRUJYQUBXVYCQ-PMACEKPBSA-N 407.467 0.133 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c2cc(O)ccc2n1 1783563893 DWSDTOTXWPAZCE-JOCHJYFZSA-N 423.425 0.780 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)cncc3F)C[C@@H]21 1784485478 NDBFLXZTJHPWLF-FHIRATQRSA-N 407.417 0.991 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784557608 ALBVBWYSJJJXEY-UTKZUKDTSA-N 402.495 0.812 30 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CCN(CCCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)S(C)(=O)=O 473697149 YNDQEIVCFALMRU-QGZVFWFLSA-N 406.508 0.837 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)cc(Cl)c2)c1=O 485944673 DDBQUJSQWSCKAR-UHFFFAOYSA-N 409.870 0.988 30 20 HCED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490279420 NWQGFXXFTAYNHW-JQFCIGGWSA-N 406.508 0.739 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2C2CC2)CC1 497554411 CPEBSFMUFZHBJN-UHFFFAOYSA-N 415.544 0.368 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)C1=O 499036421 FOTKENGNCCGQML-UHFFFAOYSA-N 413.478 0.739 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1=O 508096495 DSQSPKJIJLKSQY-HOTGVXAUSA-N 418.881 0.807 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 508672730 VVWILNNMNCFQHW-IAGOWNOFSA-N 419.507 0.777 30 20 HCED CCOC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 511653943 PCEJMSQXPYGFSF-SJLPKXTDSA-N 408.476 0.948 30 20 HCED CCOC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1 511659043 OLLDJEDQLDQZLA-QAPCUYQASA-N 423.491 0.653 30 20 HCED COC(=O)c1cn(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 515662060 FSYYLZKZULFUNG-OAHLLOKOSA-N 411.422 0.037 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H](C)S1(=O)=O 519729416 DYNCXKKPQNXSCP-RYUDHWBXSA-N 402.436 0.111 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCO[C@@H](C)C2)cc1 523244446 RAOVOSCPEVMONR-HNNXBMFYSA-N 424.523 0.269 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1CCCSC 531655206 PXSYTMWMDNGMOP-UHFFFAOYSA-N 409.558 0.982 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCN1CCN(C)CC1 532449368 ADSNNTVKTSHKQI-MRXNPFEDSA-N 407.540 0.369 30 20 HCED CN(CC(=O)NCCNC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 535674576 FYODDCWQKIPJDP-UHFFFAOYSA-N 421.523 0.927 30 20 HCED CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H](O)CN1CCOCC1 537248695 OGFBGFYKLQWIBE-ROUUACIJSA-N 421.567 0.082 30 20 HCED COC(=O)C1(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCOCC1 543785957 BXURNLGETIQKAD-UHFFFAOYSA-N 409.464 0.265 30 20 HCED CCOc1ncccc1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 550926192 CXJDHKRJMYQYMF-SFHVURJKSA-N 421.457 0.885 30 20 HCED Cc1nn(C)c(C)c1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 556214910 NMVQZWUAZMFXQT-SFHVURJKSA-N 408.462 0.837 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 556653126 ODEXZKSEVINQKM-IBGZPJMESA-N 415.538 0.160 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N(CCO)Cc3ccccc3)C2=O)cc1 564071398 VAZXOSFLZLBWLG-FQEVSTJZSA-N 420.469 0.796 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1 564690245 RPLUGJUMIATYNI-GOSISDBHSA-N 412.471 0.754 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 565980118 QJEAEGWOYBOJFJ-VKJFTORMSA-N 409.450 1.395 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 566642909 PWDOEQBWXMYBTF-UHFFFAOYSA-N 420.516 0.733 30 20 HCED CN(CCCn1ccnc1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 568554493 FXGNBDSECKQINW-SFHVURJKSA-N 408.462 0.915 30 20 HCED CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 572074442 WOCDEIFLRSHDKY-ZWKOTPCHSA-N 400.479 0.641 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1Cc1ccon1 574101797 PJUYLXQNWJIRRZ-UHFFFAOYSA-N 406.876 0.910 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCO[C@H]3CCOC3)C2=O)cc1 581688942 VZSVBLBKYXWOIX-ROUUACIJSA-N 414.462 0.087 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 582518436 RXNWAJTYLYBXGE-YJBOKZPZSA-N 416.503 0.838 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 583159209 ZYODNYDVKNFBAX-UHFFFAOYSA-N 412.837 0.993 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 585725591 XXQPKBMMHXXBHV-QRVBRYPASA-N 409.490 0.518 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4ccccc4[C@H]3C(N)=O)CC2)o1 609355635 YGYJBACYOAJHDW-IBGZPJMESA-N 408.462 0.588 30 20 HCED CC(C)(C#N)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 611619742 IHYRSODPSGNMKY-ZDUSSCGKSA-N 414.509 0.823 30 20 HCED N#C[C@]1(F)CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 615535091 LBLDWSQOXPGMNN-QGZVFWFLSA-N 410.475 0.181 30 20 HCED CC(C)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)NS(C)(=O)=O 617018059 IMMOCNNHEVALDE-OAHLLOKOSA-N 407.496 0.286 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 679822138 WXWDERICUJGLCH-RDJZCZTQSA-N 423.535 0.526 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCCCN2CCC(C(N)=O)CC2)cc1 731124952 SHQMHIRHEWWYMN-UHFFFAOYSA-N 400.479 0.731 30 20 HCED N#C[C@@H](C(=O)CCCn1c(=O)oc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 732909708 FTFZFWVLDUZNDI-ZDUSSCGKSA-N 405.432 0.341 30 20 HCED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccccc1Cl 732910231 MGRCKBVOFZMWOC-GFCCVEGCSA-N 421.866 0.809 30 20 HCED COC(=O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 737242123 GXDSDBLUBILYFW-QNGOZBTKSA-N 424.479 0.507 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1 737513261 LMNUNQFYRGQRRV-UHFFFAOYSA-N 405.414 0.290 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 738861832 UJJSGKQKTNJMSM-CYBMUJFWSA-N 402.451 0.911 30 20 HCED C[C@@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745443669 FJMXHVUMJIAUHR-FPHDVWFLSA-N 411.414 0.637 30 20 HCED C#CCN1CCN(C(=O)Cn2nc(C)c(S(=O)(=O)N(CC)C3CC3)c2C)CC1 749873287 CZHCLXXEPRFFQD-UHFFFAOYSA-N 407.540 0.450 30 20 HCED C[C@@H]1CN(CCCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 751450917 RBGLQNZTHRRDRJ-HUUCEWRRSA-N 408.524 0.731 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CC(=O)OC)C2)ccc1F 752747167 IWGZEYCXCLBDJU-ZDUSSCGKSA-N 400.428 0.694 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCCN2C(=O)NC(C)(C)C2=O)C1 757588597 NULDDNHGEFXIGO-OLZOCXBDSA-N 407.471 0.972 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(Br)c2)c1=O 758077679 YAVHDAYTYNJJFB-UHFFFAOYSA-N 402.273 0.555 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cnc(C)s2)c1=O 758081937 AHGLBQSGYPUNMY-UHFFFAOYSA-N 416.528 0.354 30 20 HCED CN(CC(=O)NS(=O)(=O)c1cc(Br)cc(C#N)c1)C(=O)C1CC1 759435239 DIUSCCFNORPQMC-UHFFFAOYSA-N 400.254 0.994 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)CC1 761025059 SZQQSAQVXZHFNH-UHFFFAOYSA-N 405.524 0.311 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CCN2C1=O 762526427 SCOIGFAZVXSZCO-ZDUSSCGKSA-N 403.370 0.161 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 765773600 XQNNVJRKQLSJTN-CYBMUJFWSA-N 402.442 0.429 30 20 HCED COc1ccc(-n2nc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2C)cc1 771284060 KYNOKWWZIFVLES-MRXNPFEDSA-N 416.459 0.769 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)c3ccnc(S(N)(=O)=O)c3)C2=O)cc1 772429615 TYOXGVMYSNVKCI-HNNXBMFYSA-N 400.416 0.953 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CCCC1 779315848 JBDJTFDXDFAGRF-HNNXBMFYSA-N 421.454 0.776 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)c1 783453601 QIYVYRJHAUUGAG-UHFFFAOYSA-N 404.426 0.989 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCC(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 783482010 SXYRDWBIHMEBHH-HNNXBMFYSA-N 422.459 0.216 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](Oc3cccc(F)c3)C2)c1=O 784026304 ABVPSOGFKVBXGE-KRWDZBQOSA-N 402.426 0.794 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N(C)C 784451128 JZLPPUHVRYEJDV-UHFFFAOYSA-N 406.439 0.733 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](O)C(=O)NC 788177243 QVISDXVSROVGGS-LLVKDONJSA-N 400.229 0.321 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCn2cc(C(=O)OC)nn2)ccc1F 791287230 FPRYNBIJSUVSEW-UHFFFAOYSA-N 411.415 0.098 30 20 HCED C=CCN1CC[C@H](OC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)C1=O 798638455 PPLSZXDQJYKVMO-MGPUTAFESA-N 401.419 0.792 30 20 HCED C[C@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 801293133 RNTDSFSEZLWRPT-YXWSMURKSA-N 409.446 0.153 30 20 HCED C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 802564647 HQFKPZYWVGEKDU-UHFFFAOYSA-N 422.559 0.963 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 813983017 DMRKZKFLKMYFES-UHFFFAOYSA-N 417.403 0.817 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 914945142 VVVVEXOVXBBLGY-CYBMUJFWSA-N 424.479 0.426 30 20 HCED CCOC(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CCN2CCCS2(=O)=O)cc1 918486069 BWLVGNSLLQYCAD-OAHLLOKOSA-N 407.448 0.936 30 20 HCED C=CCNC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1070865415 VATGQTHBTQOGLZ-JHMPBIJASA-N 404.511 0.781 30 20 HCED Cn1cc([C@@H]2CN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC23CCOCC3)cn1 1298172301 PXHIIXVXKAEEEX-INIZCTEOSA-N 412.450 0.367 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccnc1N1CCOCC1 1318719041 QIRYQQTWNAPUKX-VLGSPTGOSA-N 400.439 0.244 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)CC2)cn1 1332496201 CFPYTWGKKURRES-UHFFFAOYSA-N 418.465 0.351 30 20 HCED C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 1336533302 FKTMJCWUSNXPHJ-PXNSSMCTSA-N 418.563 0.957 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)C1 1505137355 ILJWGQIPPOZWQR-KBPBESRZSA-N 405.484 0.283 30 20 HCED CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1585103947 KYJSHAHCQNAJLZ-AWEZNQCLSA-N 405.455 0.924 30 20 HCED Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1 1644005894 YVEWLCNXWBULRE-UHFFFAOYSA-N 400.460 0.562 30 20 HCED Cc1nccn1-c1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1F 1667249207 KBRXXKPGARTCMK-UHFFFAOYSA-N 411.397 0.953 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1722867233 VZTRWJNZPYJMSO-DZGCQCFKSA-N 406.516 0.698 30 20 HCED C[C@](O)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1723974412 STZGKJIBWFZPTN-KUHUBIRLSA-N 400.439 0.630 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CC(C)(C)O 1726646539 VSKULXXLMRJKJA-LSDHHAIUSA-N 412.498 0.930 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1741132000 IIGGQKFZMLLLTI-HIFRSBDPSA-N 408.484 0.848 30 20 HCED 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20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4ccc5c(c4)CNC5=O)CCO3)C2)c1 1780334462 CTQWFAFMVVGLKQ-JOCHJYFZSA-N 419.441 0.887 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC(=O)N(Cc3cccs3)C1)CCO2 1783046715 NBLYKQDVZOBTGM-YWZLYKJASA-N 401.488 0.560 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(C)s3)C[C@@H]21 1783530896 SFYUVZSOZALDDG-PVPAMPSESA-N 418.519 0.903 30 20 HCED CC(=O)N[C@@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CC3)C[C@@H]21)C(C)(C)C 1784314382 KNTDAHKJEWORDR-QAETUUGQSA-N 404.511 0.821 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCCn3ccnc3C)C2)C1 1784405427 AQEFUAOGQHIXRT-UTKZUKDTSA-N 402.495 0.840 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)c3ccccn3)C[C@@H]21 1784479966 OIUSCNCYPMMDQG-DZBHQSCQSA-N 400.479 0.099 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCCCC3=O)C[C@@H]21 1784483357 SOPNBXFTALAUCO-OWSLCNJRSA-N 405.495 0.017 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3CCSCC3)C[C@@H]21 1784494600 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QXSAYOBYXPRIKS-FTRWYGJKSA-N 412.552 0.912 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)c1 1840595127 LQKXDRONMPYBFZ-QFIPXVFZSA-N 413.474 0.933 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCC(=O)N1)C2 1841746583 SNASTUQEXLVEQT-CABCVRRESA-N 420.510 0.938 30 20 HCED N[C@H](C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ccccn1 1842929555 GLZZMZSLBMTSDF-OBJVUEPRSA-N 401.467 0.814 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](COC(C)=O)OC(C)=O)C2 1844237226 HRBRKHJWEWVAIB-CVEARBPZSA-N 410.467 0.258 30 20 HCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1)C(=O)O 1845138503 JWMMIJBYTJWMJJ-KRWDZBQOSA-N 414.462 0.375 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)Cn3ccncc3=O)C2)c(O)n1 1845766686 FTLZEZVXEWIGBC-UHFFFAOYSA-N 423.473 0.980 30 20 HCED O=C1NC(=O)[C@@H](CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#Cc2ccc(Cl)cc2)N1 1847473971 JUUQHSRFRKVAGT-PMPSAXMXSA-N 414.849 0.491 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 7633905 MIXWSROJYHJKMF-MJVIPROJSA-N 404.872 0.602 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1 51892577 QKSQIHYMBZOFOB-MRXNPFEDSA-N 400.435 0.152 30 20 HCED C=CCN(C(=O)c1cc(S(=O)(=O)NCC)ccc1F)[C@@H]1CCS(=O)(=O)C1 108938345 GAJSCUJIMUQTCM-GFCCVEGCSA-N 404.485 0.939 30 20 HCED CN(C)C(=O)Cn1cc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1 109311953 DQFAOTNUVVJVLF-UHFFFAOYSA-N 424.421 0.448 30 20 HCED C=CCN(CC=C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 143663868 KKVTYGWYVRXMJV-UHFFFAOYSA-N 406.508 0.762 30 20 HCED CN/C(=N/Cc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)NCCN1CCOCC1 304714757 MWYRWFPYOZVYLV-HXUWFJFHSA-N 416.570 0.381 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 430415557 OTOKGZPARYVGPI-HBFSDRIKSA-N 420.554 0.629 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1)S(N)(=O)=O 437338092 OARGOZCJVDCSMS-ZDUSSCGKSA-N 416.459 0.869 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)n1 439360158 OTVQCSDAVNRPOZ-MRXNPFEDSA-N 402.499 1.162 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)cc2)ccn1 479322551 WSBQUXCVFRQZIC-UHFFFAOYSA-N 417.447 0.869 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(S(N)(=O)=O)c1 480287850 DEUIJQREYLYWSS-GFCCVEGCSA-N 422.488 0.189 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 480936436 NUVJMCKZNLJQLD-UHFFFAOYSA-N 408.523 0.747 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 481032864 IVKRQVXNZKQOGM-ZDUSSCGKSA-N 416.463 0.987 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OC 481581064 VMZOLYSDHGXNJV-OAHLLOKOSA-N 418.493 0.150 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 488639222 GJCSMVWFSCIGOK-MRXNPFEDSA-N 407.430 0.421 30 20 HCED CN(C)S(=O)(=O)c1cnn(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 502896504 PDHFLHXLFAIBSJ-OAHLLOKOSA-N 422.536 0.604 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 509000862 LBCMFQIPKLTPTG-OAHLLOKOSA-N 400.468 0.730 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)C1=O 517995037 USYXXPMYFWXLGS-SFHVURJKSA-N 420.554 0.631 30 20 HCED CCN1CCN(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C(=O)C1=O 518818476 CZXCBWSWWLXJHD-OAHLLOKOSA-N 401.442 0.473 30 20 HCED N#C[C@@H]1CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCO1 519292157 QMZUELFOKATEQJ-QGZVFWFLSA-N 408.480 0.283 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 520450765 XWAUKRJMCIRLSF-UHFFFAOYSA-N 407.434 0.272 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)C1CC1 522469749 OAQCDMBYVVPUFP-FQEVSTJZSA-N 418.519 0.656 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)C1=O 522585805 SMNDJJNUNQWOKZ-GFCCVEGCSA-N 422.388 0.960 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)C1=O 523569848 DIDJOMPWSFHPGO-UHFFFAOYSA-N 416.409 0.980 30 20 HCED N#Cc1ccc(-n2ccc(=NC(=O)C(=O)NCCN=c3cncc[nH]3)[nH]2)c(Cl)c1 542071518 KEXQFOWDRYXDNG-UHFFFAOYSA-N 410.825 0.198 30 20 HCED C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549260981 LSNGEJDXWRUXLG-RHSMWYFYSA-N 424.461 0.514 30 20 HCED Cc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 551643871 IUCMHNNHVMTWMN-UHFFFAOYSA-N 402.480 0.816 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1 553682649 CSMGOELLKWWRPB-INIZCTEOSA-N 404.492 0.963 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN3CCC[C@@H](C)C3)CC2)c1C#N 556083315 AVUIQXAWCXLYDJ-OAHLLOKOSA-N 401.515 0.097 30 20 HCED COc1cccc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1OC 556163219 CAIFYBXIABGPHR-UHFFFAOYSA-N 423.473 0.978 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccn(-c3ccncc3)n2)CC1 556390247 YRTKMXYCZFJCRV-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)CC(F)(F)F 557376484 DIYZZNWWIJPKAR-MRXNPFEDSA-N 411.428 0.833 30 20 HCED C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1C 558056828 KGDIHOGYTDWDLD-MNEFBYGVSA-N 411.506 0.716 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 559605094 FHZMYUWBWHDZIB-QZTJIDSGSA-N 416.526 0.202 30 20 HCED CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCc3cccc(C#N)c3)cc2)CC1 559662676 UOAAWNIMOVFKLO-UHFFFAOYSA-N 419.485 0.878 30 20 HCED COC(=O)c1cccc(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 564518106 YKLIVRNFPMJCCI-UHFFFAOYSA-N 401.444 0.982 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(C)c(F)c1 570913669 NVSCOCSXMQAZJM-UHFFFAOYSA-N 411.462 0.638 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 577148063 CSTLPNVDICLZPR-UHFFFAOYSA-N 416.488 0.529 30 20 HCED CCCNC(=O)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 604192896 IHLCPYHIPIIICP-UHFFFAOYSA-N 406.508 0.991 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cccnc2-n2cncn2)CCN1Cc1ccccc1 609946443 WIRKREXCFJBPJW-KRWDZBQOSA-N 416.445 0.837 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 615214074 JVYGWHWJLUEBCG-MRXNPFEDSA-N 414.510 0.644 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(=O)N(C)C)c2=O)nc1 675547210 RAODSBWJKBZFAK-UHFFFAOYSA-N 412.515 0.820 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(OC)ccc2OC)C1=O 726042140 DPQJXOVHJWPWPD-UHFFFAOYSA-N 405.363 0.162 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 728532253 QSYFNMKZLOFBRN-CYBMUJFWSA-N 408.842 0.909 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc1 729602496 OYIASPAVBAYFAN-AWEZNQCLSA-N 409.464 0.861 30 20 HCED CCNS(=O)(=O)c1ccc(F)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 731888286 SZKWBYACTNXIFV-BMRADRMJSA-N 410.427 0.380 30 20 HCED N#Cc1ccc(NCCNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)nc1 732057593 MBDQOJHSHCLQQO-QGZVFWFLSA-N 400.483 0.195 30 20 HCED COCC(=O)Nc1ccc(OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 733273409 QRRVRLWYHBOIDC-UHFFFAOYSA-N 403.416 0.916 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)c1=O 733993696 ASYQMUAXKOCDSJ-LJQANCHMSA-N 422.489 0.211 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2nnnn2C2CC2)C1=O 742213238 FKYBMSOCGBXLRW-DLFJBECYSA-N 414.495 0.582 30 20 HCED C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)N(C)CCC#N 744759982 PKMWPLLOEXRHFD-YSVLISHTSA-N 405.426 0.634 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745587710 ZLPGOKNSQTVMEQ-SGTLLEGYSA-N 409.464 0.545 30 20 HCED C#CCN1CCN(C(=O)Cn2nnnc2Cc2ccc(Br)cc2)CC1 749874493 SDADKQLWWXOLSH-UHFFFAOYSA-N 403.284 0.804 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 749968057 FHFAXFRMNTZJKY-QAPCUYQASA-N 405.480 0.296 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC[C@@]3(C)CCC(=O)N3)CC2)o1 751519186 GSLAEGSALUGYHF-LJQANCHMSA-N 403.439 0.495 30 20 HCED C#CCOCCC(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 756305520 ZCOLCEBCJTZOFW-CYBMUJFWSA-N 412.464 0.856 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)cc(C)c2)c1=O 758076650 JOFDWCMTSLNOEG-INIZCTEOSA-N 409.511 0.814 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc3c(c2)COC(C)(C)O3)c(=O)n(C)c1=O 766026002 XTDVLEPWNUCLHA-UHFFFAOYSA-N 408.436 0.042 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)CNC(=O)c2cccnc2)c1 768838300 WQOADHDHVBTFSA-CQSZACIVSA-N 401.444 0.968 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC(=O)N(C2CC2)C1 780808317 FNMMPGSPRIMYMU-CYBMUJFWSA-N 404.492 0.632 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC2)c1C 783350911 RTWPUTGMSLGNJE-UHFFFAOYSA-N 407.492 0.887 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 783545023 JHTDFHQLWYUUBE-UHFFFAOYSA-N 406.420 0.780 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 785163929 GLMISLBYRJDSNK-UHFFFAOYSA-N 412.446 0.205 30 20 HCED N#Cc1ccsc1NC(=O)COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785660451 GHCDSHLDGPESIT-AWEZNQCLSA-N 406.464 0.282 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 787058314 ASARNZZEVZDKOY-GDBMZVCRSA-N 422.463 0.982 30 20 HCED C[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)NC1(C#N)CCC1 787550891 DLBVTYVDTXCDKI-IAQYHMDHSA-N 401.398 0.740 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OC[C@@H]1CCS(=O)(=O)C1 788881717 LFEVYRKJNHGPLC-LBPRGKRZSA-N 400.478 0.483 30 20 HCED COCc1ncsc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 792744157 JHAAXTSWEBAPRG-UHFFFAOYSA-N 405.436 0.963 30 20 HCED CN(CN1CC(=O)N(Cc2ccccc2C#N)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 793587672 ILNXOFAFZQRFQQ-INIZCTEOSA-N 405.480 0.246 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)CC2)o1 796278900 HEKFGMXHEFNABJ-OAHLLOKOSA-N 403.439 0.481 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2C(=O)OCC)CC1 799772964 SODOBLYBDVLADS-UHFFFAOYSA-N 407.492 0.309 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1 800921982 HGIVHZKHBDSNCY-CYBMUJFWSA-N 417.509 0.343 30 20 HCED COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 811525654 WJNUXZKBEJOAQK-HNNXBMFYSA-N 419.381 0.791 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1CCC 814249785 XNUIFFPDJKGNFY-UHFFFAOYSA-N 407.446 0.587 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 815077555 TYTBTCCZGOXXJI-MAUKXSAKSA-N 408.499 0.573 30 20 HCED Cn1c(=O)nc(O)c2c(C(=O)OCC(=O)N(CCC#N)CCC#N)cc(C3CC3)nc21 914644401 ZQZQCEJUTRRLKR-UHFFFAOYSA-N 424.417 0.724 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCNS(C)(=O)=O)cc1 916710675 FGMVSEUTXBFPDT-RGEXLXHISA-N 417.513 0.170 30 20 HCED N#Cc1ccccc1OCCN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 920410615 ZWJZIQCLVYUAFL-MRXNPFEDSA-N 413.521 0.072 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(C)c(=O)nc1O 1003089953 PHPZHYYPYOKJSY-CQOGHXNDSA-N 402.451 0.329 30 20 HCED Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1304360153 YKJWRLGVYSGHPB-CZUORRHYSA-N 418.523 0.832 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 1321785818 HTYJVMTVNSUUKK-UHFFFAOYSA-N 412.450 0.841 30 20 HCED N#C[C@@H](C(=O)c1ccc2c(c1)NC(=O)CCS2)C(=O)N1CCS(=O)(=O)CC1 1346025901 CISRIWZUUMOPCR-LBPRGKRZSA-N 407.473 0.700 30 20 HCED CN(C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1516991080 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COC(OC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419628 MFFLCLUOQCBROK-HXUWFJFHSA-N 421.425 0.386 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)C2)C1 1839805898 WESJEJZJUBCROD-NRFANRHFSA-N 423.510 0.722 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839889155 GBUPVARLAHTKNU-INIZCTEOSA-N 401.366 0.662 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1840157347 LUKQBENWKLYKHJ-MGPUTAFESA-N 403.504 0.875 30 20 HCED COc1ccc(CCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cn1 1840158106 HAZNZGHTXHVPMR-MGPUTAFESA-N 423.535 0.798 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)o1 1840161435 OXJQEQMOZMLPDB-KZULUSFZSA-N 411.480 0.626 30 20 HCED CO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1840211644 JMBRWFKIKZZVRO-HRAATJIYSA-N 401.463 0.972 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4[nH]nc5ccncc45)C3)C2)CCC1 1840813778 VTAJJRYSOVYZPD-OAQYLSRUSA-N 424.461 0.722 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1 1843418522 FBYWTURUZDTBOB-LFAOLKIESA-N 419.503 0.842 30 20 HCED CCS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844299296 NINCNNQORVQCJJ-VHWUNXFSSA-N 401.485 0.154 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@@H]3CCC(=O)N3C2)C1 1845071307 WGSXSEYEZAAVIT-IAGOWNOFSA-N 415.538 0.873 30 20 HCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847110428 JBZLVIPBLMNMRA-CQSZACIVSA-N 423.514 0.718 30 20 HCED CC1(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)CN(C(=O)OC(C)(C)C)C1 1847143298 WTMRCNSVFBALII-UHFFFAOYSA-N 419.478 0.925 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1847640506 FLHGNOWJNLKVJU-NCOADZHNSA-N 423.510 0.502 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 27157330 DZIRQNXZDNDELY-UHFFFAOYSA-N 401.444 0.789 30 20 HCED C[C@@H]1CN(CCC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)C[C@@H](C)O1 409511849 REYQVUSNDHMZOC-JFIYKMOQSA-N 400.545 0.667 30 20 HCED CC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 409571759 WVSPUQPRMVLDEA-HOCLYGCPSA-N 410.496 0.663 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)CCO1 409573153 FCVKSAOWKAVECK-OCCSQVGLSA-N 407.414 0.915 30 20 HCED C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS(=O)(=O)C1 433173587 IIGHSUGGKQODRI-JKSUJKDBSA-N 410.565 0.823 30 20 HCED COC(=O)[C@H](NC1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(C#N)c1 434878795 GBFPKSUJFIHHOH-GOSISDBHSA-N 422.507 0.403 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c(C#N)cn1CCOC 439376162 VJHIFPQDVUPYPJ-ZIAGYGMSSA-N 403.439 0.925 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)ccc1OC(F)(F)F 443285219 SKLFGECMIMZMEG-JQWIXIFHSA-N 400.313 0.544 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)n2)c(Cl)c1 448390660 UTTLWTKZVAFIBF-DZGCQCFKSA-N 403.826 0.992 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2ncon2)CCOCC1 461550598 WBVIECLIUUMDDH-LBPRGKRZSA-N 405.436 0.430 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1CCN(C(=O)c2ccco2)CC1 464855096 PZJXNIRPVOMZJB-MRXNPFEDSA-N 423.477 0.436 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1ccc2c(=O)n(C)c(=O)n(C)c21 465033193 QZSBCMIERKJRBU-UHFFFAOYSA-N 422.489 0.501 30 20 HCED C[C@@H](O)C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468668370 RTACOFYAZGIIRK-CRAIPNDOSA-N 421.519 0.957 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)S(C)(=O)=O 469503192 KPRGENXZMALUHK-UONOGXRCSA-N 413.521 0.460 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1C(N)=O 472876916 LCIFDAZIYSFTMI-UHFFFAOYSA-N 409.450 0.295 30 20 HCED Cc1cn2cc(NC(=O)C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)ccc2n1 472880248 XUVVYERFXIXWGP-UHFFFAOYSA-N 406.450 0.844 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(C)=O)C2)cc1 473313864 YKSOBRWUHXEVGA-OAHLLOKOSA-N 408.480 0.169 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 475478052 HXPFYCGOHQAWDZ-UHFFFAOYSA-N 412.512 0.650 30 20 HCED C[C@H](O)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 476870774 PCESEAODKIYESV-VKJFTORMSA-N 413.478 0.677 30 20 HCED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCC#N 477979573 BFMKLTXQXNOHOH-INIZCTEOSA-N 408.480 0.102 30 20 HCED Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 479945199 XWHBBKAASOAJJS-GFCCVEGCSA-N 422.488 0.820 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@](C)(C(N)=O)c1ccccc1 481237161 BGVZGPATMWSHNV-BFUOFWGJSA-N 400.460 0.742 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc(C(N)=O)c3)C2=O)cc1 488664501 JAOYTERXCULIKM-KRWDZBQOSA-N 405.414 0.513 30 20 HCED CCN(C1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1)S(C)(=O)=O 491595418 ZWBHZHPHCZUSBM-UHFFFAOYSA-N 408.480 0.778 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 492219921 OSWJKGUBSRMZDG-UHFFFAOYSA-N 406.508 0.433 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2cccc(Br)c2)c1 496264993 UNGJQOSIDILMDP-GFCCVEGCSA-N 412.269 0.842 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1 497050978 YNZZZCKVLWKERV-LJQANCHMSA-N 402.495 0.865 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCSC 505661841 LRKVYTDREQBEEV-UHFFFAOYSA-N 405.549 0.344 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n1 507662382 XYURNVQIRVMTIN-JSGCOSHPSA-N 424.527 0.672 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508917360 JGMZDINVZQMGKX-UHFFFAOYSA-N 424.509 0.856 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 511722925 KQABQSSNXGOTLU-LBPRGKRZSA-N 408.455 0.956 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C12CCC2 513482278 FIJTTYIHLYCAMK-DLBZAZTESA-N 414.510 0.713 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513984006 XHRAYRNEVGNBPC-KUHUBIRLSA-N 419.507 0.713 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003700 SNKBNNZCSLZJOH-SCLBCKFNSA-N 405.480 0.369 30 20 HCED CN(C)C(=O)CN1CCC(NC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514015024 FYOPKKSFVSJQQH-NYHFZMIOSA-N 424.505 0.594 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 522384464 ZEIXBIFQYCROLC-UHFFFAOYSA-N 423.523 0.786 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cccs3)c2=O)cn1 523182665 WIZFNQXRCQCGCS-UHFFFAOYSA-N 411.512 0.959 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OC)cc2)c1=O 523744506 VTYRMKPTFGPRNN-UHFFFAOYSA-N 415.515 0.983 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)s1 531909409 SHKLJBCUONGOCM-UHFFFAOYSA-N 405.501 0.583 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)n1 532165068 SECLGGYIWNCSCC-UHFFFAOYSA-N 414.487 0.307 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)n(CCC#N)n1 533323410 LNVZQECKDSLLSG-NSHDSACASA-N 400.361 0.713 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(I)cc1C 537446398 ZHACYYGNERCBIT-UHFFFAOYSA-N 401.204 0.957 30 20 HCED CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 539265476 QPWSAVYWOHATOM-QFBILLFUSA-N 421.567 0.938 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 539281731 IWNFTGSMFSSFFX-UHFFFAOYSA-N 410.438 0.105 30 20 HCED N#CCNC(=O)CNC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 553423303 FHXWNKMQTFIETE-UHFFFAOYSA-N 402.270 0.759 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@H]2CCCO2)CC1 556614498 CZONUSFHGKHMHN-UYAOXDASSA-N 414.506 0.469 30 20 HCED COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 558041564 PNFYZCVTNRGQHU-QGZVFWFLSA-N 419.501 0.819 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(C)C 559867286 GDCWIRDLVWULPN-HNNXBMFYSA-N 421.571 0.584 30 20 HCED C[C@@H](Cn1ccnc1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 559967218 CSTDTLVCBAUDOD-AWEZNQCLSA-N 423.433 0.856 30 20 HCED Cn1ncc(C(=O)NC[C@](C)(NC(=O)c2cnn(C)c2C#N)C(F)(F)F)c1C#N 560140167 DXKKALVSXUSSIQ-HNNXBMFYSA-N 408.344 0.378 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CC1 561342657 SBKWJHSJZJSGQJ-SFHVURJKSA-N 400.523 0.797 30 20 HCED COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C)n(CCC#N)n2)cc1OC 565070863 RCFSJTLHNAVRSX-UHFFFAOYSA-N 407.452 1.039 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)C1=O 566635016 QDAQRKUKUBHIHZ-CYBMUJFWSA-N 408.842 0.631 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)cc1 571706655 NRAQWAPTYUMRDQ-UHFFFAOYSA-N 407.473 0.970 30 20 HCED N#Cc1cccc(CCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1 572184872 RSCQYPJALHRTST-UHFFFAOYSA-N 412.471 0.651 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 583825511 RSJOTZFYJWCTQX-UHFFFAOYSA-N 424.513 0.996 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 588127571 LVIZXWZBBMPKEO-INIZCTEOSA-N 403.870 0.666 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)n1 589400179 LWYVSBSLPWBGTN-MRXNPFEDSA-N 415.413 0.999 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 590986662 WRGQZZHYOULOSS-UHFFFAOYSA-N 417.462 0.439 30 20 HCED C[C@H]1C[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C(=O)N1c1cnn(C)c1 610698242 YJLNMDVGEFHORW-SQWLQELKSA-N 423.481 0.496 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 613105488 XQUASGYEJPTIDT-IRXDYDNUSA-N 409.450 0.135 30 20 HCED Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC1CCN(CC#N)CC1 619645163 JMUZBEMHXYTAKY-SFHVURJKSA-N 413.478 0.647 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 725827892 ZUMZDYVXPCRTJK-UHFFFAOYSA-N 421.504 0.784 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)NCCS(C)(=O)=O)c(C#N)c2N)cc1 727937062 PSEAHXKDXVOQAT-UHFFFAOYSA-N 404.496 0.911 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 728533453 JJUPGPNDDKDSMC-LJQANCHMSA-N 408.502 0.422 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 728533825 AVVUMAYGXYKYOI-UHFFFAOYSA-N 420.535 0.224 30 20 HCED CC1CCC(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)CC1 732911236 ZUYZTTJANOVQCY-KNIAUWFNSA-N 409.508 0.379 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)c1 746616715 HMXVOGDYSGUJJI-OAHLLOKOSA-N 407.492 0.308 30 20 HCED COC(=O)c1cn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 747208481 YTRFLDGTXYNYRV-HKWRFOASSA-N 420.451 0.516 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 749223851 MISHNFWOJQRQTM-HNNXBMFYSA-N 409.533 0.889 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](OCCN2CCCC2)C1 752108623 VBUWRRISDNCFTB-INIZCTEOSA-N 420.535 0.829 30 20 HCED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)CC1 752848678 OWMXCQYLOLWCET-JKSUJKDBSA-N 410.544 0.213 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)CSc3nnc(C)n3N)CC2)cc1 754803160 BAAJPBRVKFWSHK-MRXNPFEDSA-N 401.496 0.810 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CO)CC2CC2)c1 755076781 VYBPSRSMXSGZMY-HDHZYAPQSA-N 422.507 0.715 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 758077131 RTSDOICNWUNMKY-CQSZACIVSA-N 423.494 0.132 30 20 HCED N#Cc1cccc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)CCO2)c1 762385814 VTSBSOGJHLYNIB-OAHLLOKOSA-N 418.431 0.129 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)OCCCOc2cccc(C#N)c2)n(C)c1=O 763913458 FJTWWSVORGGZGQ-UHFFFAOYSA-N 411.418 0.708 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2sccc2Br)c1=O 764980943 IBODOHPNVYLTHE-UHFFFAOYSA-N 423.317 0.849 30 20 HCED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 765249999 AWSZUNVAXDSJIT-AWEZNQCLSA-N 419.463 0.129 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1Br 767958618 NDTPRWYREAMVMS-UHFFFAOYSA-N 403.261 0.493 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(F)(F)C3(O)CCCC3)CC2)o1 769173361 BEHPOGVLUCKRSV-UHFFFAOYSA-N 412.393 0.987 30 20 HCED CN1CCN(CCC(C)(C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 771662202 YCQGFPXMCFBLGP-UHFFFAOYSA-N 421.567 0.648 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1)[C@H]1CCCO1 773782989 DHXVQHMLOWVHNX-HUUCEWRRSA-N 408.432 0.112 30 20 HCED N#CCn1cc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cn1 781959045 TWQWUWVSTQHGFR-ZFWWWQNUSA-N 409.855 0.823 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 783011848 DJVLOASBHQKMHF-IRXDYDNUSA-N 414.572 0.419 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 784197598 AQPVFYYCQTYEGW-HNNXBMFYSA-N 401.467 0.729 30 20 HCED COCCN(CCC#N)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 784449704 GVSSFDOAWRQYRA-UHFFFAOYSA-N 408.480 0.215 30 20 HCED COC[C@H](C#N)OC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 785098912 IQZOTDDXEXWXBJ-LBPRGKRZSA-N 412.424 0.540 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)n1 785659152 BMSGIQUTNDRCFK-CABCVRRESA-N 420.491 0.352 30 20 HCED COC(=O)c1cn(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)nn1 786557274 DORLKFUKQQKEQP-UHFFFAOYSA-N 409.362 0.304 30 20 HCED CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 786746767 LTRCSLNRCXFAKP-UHFFFAOYSA-N 416.482 0.633 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCCNS(=O)(=O)c2ccccc2)c1 795322831 AHLOHNNIGYMFOB-UHFFFAOYSA-N 423.472 0.358 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2NCCO)C1=O 798572801 UJPXHWRLURTUPV-MRXNPFEDSA-N 411.480 0.285 30 20 HCED C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 801699337 FZURVXMCMGYFGL-SNVBAGLBSA-N 410.311 0.905 30 20 HCED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 802376238 NGPXOGGPJYMPHS-AWEZNQCLSA-N 404.496 0.933 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)c1ccncc1 805816396 ZHZKBRBBTZBYCS-SJORKVTESA-N 406.508 0.842 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 807543495 OXSAQPGLNUCDRK-CQSZACIVSA-N 420.491 0.848 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCCO1 808830629 IBZVWOUATNSTSF-YSSFQJQWSA-N 415.490 0.943 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCOC(C)C)CC1)[C@H]1CCCO1 809311469 VDRPLBIKYOPBEC-ZWKOTPCHSA-N 407.511 0.453 30 20 HCED COC(=O)[C@@H](NC(=O)COC(=O)C1CCN(c2oc(C)nc2C#N)CC1)C(C)C 811210301 ZAGFQLUCAVEYIK-INIZCTEOSA-N 406.439 0.928 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2(CCO)CC2)cc1 815773986 ILBWSGNBWSZMII-QNGOZBTKSA-N 408.480 0.469 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 815774399 YFTGQPRIXZYTSI-UHFFFAOYSA-N 400.479 0.746 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCC(=O)NCCN2CCCCCC2)cc1 815774907 PVCITSGANJADNB-UHFFFAOYSA-N 400.479 0.746 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2nc(O)n[nH]2)CC1 816471713 LSSGIZCUIJOAAB-UHFFFAOYSA-N 404.452 0.345 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1=O 849086907 FFHJIPFSWLJBBF-CKNLXJGOSA-N 420.514 0.587 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 856434270 XPUAQZLTKBZKJS-HIFRSBDPSA-N 423.491 0.420 30 20 HCED CNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 918279214 OLSIPANAXGASLN-PXLXIMEGSA-N 423.495 0.080 30 20 HCED CNCCCc1[nH]nc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1C#N 918757199 RPDFYESCLVIPSP-UHFFFAOYSA-N 415.479 0.501 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1sccc1S(=O)(=O)N1CCOCC1 919028287 VNBSXFOWAOVKDG-UHFFFAOYSA-N 415.493 0.688 30 20 HCED CC1(C)NC(=O)N(CCCOC(=O)CNS(=O)(=O)c2ccccc2C#N)C1=O 919037956 XIYMOXHSOFVJMV-UHFFFAOYSA-N 408.436 0.100 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 919667422 VPUDREPNQJVUHB-AWEZNQCLSA-N 408.436 0.759 30 20 HCED CS(=O)(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1130663842 VCVSGYPVBBYJRQ-OLZOCXBDSA-N 410.883 0.715 30 20 HCED COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301834379 ZFQFWMGCPCDRGT-OAHLLOKOSA-N 413.486 0.116 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ncccc2C(F)(F)F)c1=O 1319873217 HXIFIAWWAGTACI-UHFFFAOYSA-N 420.416 0.986 30 20 HCED C=CCN1CC[C@@H](N(C)Cn2nc(C[C@@H]3CCS(=O)(=O)C3)n(C)c2=S)C1=O 1327011997 DVRVGCQFYHKKOH-UONOGXRCSA-N 413.569 0.604 30 20 HCED C[C@@H](NC(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1nncn1C 1337026952 YRZQCFRHOOALNY-ZBFHGGJFSA-N 421.465 0.717 30 20 HCED C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCC(C(N)=O)CC1 1339265714 JLSXJKGQFIGYEQ-UHFFFAOYSA-N 417.491 0.629 30 20 HCED Cn1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(-c2cc(F)ccc2F)n1 1453845620 UBMYSLMTWVSKOU-UHFFFAOYSA-N 400.345 0.929 30 20 HCED CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1503615596 ZTERYJVBJVEDDR-UHFFFAOYSA-N 414.495 0.699 30 20 HCED N#Cc1nnn(Cc2ccccc2)c1NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 1531920545 ZXTWLJGAMBHZKC-UHFFFAOYSA-N 409.431 0.634 30 20 HCED CC[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1617429882 WEXYQWBANXWMET-ZKDVCIDWSA-N 405.528 0.174 30 20 HCED Cn1ccnc1[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1F 1628906775 SWCIDBBPHXEBLY-OAHLLOKOSA-N 411.397 0.782 30 20 HCED COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCOCC1 1712454908 MMEUMRVOPIGAPR-INIZCTEOSA-N 402.503 0.766 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCC1 1750965638 ULTSMNJKWXANFM-UHFFFAOYSA-N 424.509 0.925 30 20 HCED CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1766867768 QQPXZXAIUNZUCB-UONOGXRCSA-N 411.532 0.497 30 20 HCED CCn1nccc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779101592 RQHKGCGECWOPQR-UYKJKJAUSA-N 419.482 0.876 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1779136263 JBRBOPBOQUSFJC-ZKSMDFIPSA-N 415.406 0.043 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1cncn1)C2 1779333023 SRJZGXLOJMANAD-RZQQEMMASA-N 405.499 0.365 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4c[nH]c(=O)cn4)C3)C2)cc1 1780251098 LHZIOHDFELEYQR-NRFANRHFSA-N 407.430 0.593 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1780801884 ANRPQNYCIPKCOJ-HDMKZQKVSA-N 417.528 0.346 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1781270653 JCTPOZPPTTYDGP-OAQYLSRUSA-N 416.478 0.749 30 20 HCED O=C(C#Cc1ccc(Cl)cc1)N1CCO[C@@]2(CCN(C(=O)Cn3nccn3)C2)C1 1781418598 OMFVADGFHXKUKB-HXUWFJFHSA-N 413.865 0.813 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)cc1 1781785807 QTTZHQBCWNXSKH-LJQANCHMSA-N 401.492 0.823 30 20 HCED CO[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)c1ccccc1 1782010562 NMOQXCWWXGVVKU-NQSCKRDGSA-N 414.458 0.976 30 20 HCED Cc1ncc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)s1 1782017957 XFGIDVUILFAGLI-DNVCBOLYSA-N 405.476 0.596 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)CC1 1782601114 UYTNNRMSPUEUDI-AVRDEDQJSA-N 407.474 0.886 30 20 HCED CCOC(=O)C1(C(=O)N2CC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1782916790 NJARVUUJQCALRG-IBGZPJMESA-N 400.435 0.673 30 20 HCED C=C(C(=O)N1CC[C@@]2(CN(C(=O)CNC(=S)NCC)CCO2)C1)C(F)(F)F 1783210421 ATPOWBQVYUTMMQ-OAHLLOKOSA-N 408.446 0.419 30 20 HCED CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557388 GPDZXPZYPOTJNR-FQEVSTJZSA-N 408.451 0.416 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)CCO2 1783900433 LHKZKIMXNQVUTH-QEEYODRMSA-N 405.520 0.953 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1784128018 SJQQCOZTKHOGNP-HPYSDIGDSA-N 405.495 0.226 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3cccnc3)[C@H]2C1 1785144344 XWLUHGJDZHJHJG-NEPXVJNWSA-N 401.463 0.478 30 20 HCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)Cn1c(=O)n(C)c3ccccc31)CCO2 1785426261 QAUSDOGLJLOGDJ-JOCHJYFZSA-N 410.474 0.583 30 20 HCED C#CCO[C@@H](C)C(=O)Nc1ccc(C2(NC(=O)C[C@H]3NC(=O)NC3=O)CCC2)cc1 1786357811 OKZZHXWVAXXYSV-XJKSGUPXSA-N 412.446 0.757 30 20 HCED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CN3C(=O)CNC3=O)cc2)CCC1 1786637694 KRGMPSJQWPYEGR-CQSZACIVSA-N 412.446 0.711 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nc(O)n4c3CCCC4)C[C@@H]21 1786704563 XKNPMRMRMHUWBP-DZKIICNBSA-N 401.467 0.822 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@@H](NC)C(=O)O)[C@H]2C1 1786893534 KFDNNOQOWJPEKG-NXOAAHMSSA-N 411.499 0.012 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cnn(C)c3)[C@H]2C1 1787008906 GNUFBFISKSJMMY-BVBHFADKSA-N 402.495 0.371 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccncc3O)C[C@@H]21 1788600979 PRUUTPXGNZXERZ-SHLDQTCMSA-N 415.494 0.852 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)NC(=O)NCC)C[C@@H]21 1790878083 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COC(=O)Cc1csc(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)n1 472150636 DWOAHVPXEHLYKT-UHFFFAOYSA-N 417.495 0.533 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnc(C(=O)N(C)C)c1 482226617 OXIMBIMOWFTCPP-GFCCVEGCSA-N 401.448 0.961 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C)C1 486647907 CMPIYAQBTLRYMV-MRXNPFEDSA-N 415.537 0.928 30 20 HCED CC(C)CN(CC(N)=O)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 494325260 IEVWZBLDKVZICJ-UHFFFAOYSA-N 406.508 0.929 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)c(Br)cc1C 499845197 WOZHTVOUVBKRIC-UHFFFAOYSA-N 412.240 0.901 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1=O 501443464 ANGHIZPEXLWEQV-OAHLLOKOSA-N 417.441 0.929 30 20 HCED N#CCCN(CCC#N)C(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 505608211 KEUQEZVDMKLHSK-LJQANCHMSA-N 411.462 0.769 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(Br)cn2)c1=O 505711262 UWLHEMBZEPDGBF-UHFFFAOYSA-N 419.304 0.730 30 20 HCED N#Cc1ccc(CSCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 508366722 GGNQFLXGLXIKBS-IAGOWNOFSA-N 409.533 0.094 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CO)C3CCOCC3)n2)c(F)c1 516505959 PIKFEXYTNVWDFG-HNNXBMFYSA-N 401.398 0.725 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 521417022 KBTZMMOFOWYUDL-ZDUSSCGKSA-N 423.395 0.745 30 20 HCED COC(=O)c1ccc(F)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 526097379 QPNNRMOHTDFWLK-UHFFFAOYSA-N 402.386 0.819 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)o1 527262209 HKBMZNZDPHRTKD-UOVPBQLFSA-N 423.473 0.994 30 20 HCED C=CCN(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1CCS(=O)(=O)C1 531936555 WNBBLQGSFBSLOJ-INIZCTEOSA-N 421.523 0.107 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 534010310 LWLIUGQEMMXPIN-UHFFFAOYSA-N 424.479 0.929 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 537007966 NOOPPTRHGHIUFF-UHFFFAOYSA-N 413.434 0.084 30 20 HCED CCNC(=O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 538360171 VVKKZJSXHIUKNE-KRWDZBQOSA-N 418.567 0.211 30 20 HCED COCCOc1cccc(CNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 551150249 SDANSSWYPOGCCP-UHFFFAOYSA-N 423.473 0.943 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 554153698 FVVDEECOUOJIKK-UKRRQHHQSA-N 424.498 0.674 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 557638433 KSIJSGPBTVQYJC-UHFFFAOYSA-N 403.483 0.061 30 20 HCED Cc1n[nH]cc1C1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 560187603 QHVAWFOFWHAHMA-UHFFFAOYSA-N 418.461 1.574 30 20 HCED C=CCCCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 562167992 ZIHATAMFTUBJAW-QGZVFWFLSA-N 416.526 0.823 30 20 HCED COC[C@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCO1 568560997 CTZIYWNTEHXBHK-VQTJNVASSA-N 414.506 0.903 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1 569777315 DCYGIAIDHGJYPN-HNNXBMFYSA-N 408.524 0.890 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2ccc(F)cc2)CC1 575205654 VWNQNNDOYQWJQZ-UHFFFAOYSA-N 404.486 0.666 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CC(N)=O)C3)C2=O)cc1 578573395 YEYSCXZBYMAICB-DOTOQJQBSA-N 411.462 0.284 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(C(=O)Cc2cccc(OC)c2)CC1 584551908 CVAYODUCAUGZDX-UHFFFAOYSA-N 403.479 0.617 30 20 HCED C[C@@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@]2(CCOC2)O1 587659669 WQWYIEOVUJEVLE-VFNWGFHPSA-N 413.478 0.445 30 20 HCED N#CCN1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 613919774 JSSBNIQNDCGEEA-UHFFFAOYSA-N 412.537 0.737 30 20 HCED Cn1c(=O)c2ccccc2n2c(COC(=O)CNC(=O)c3ccc(C#N)cc3)nnc12 727008143 LSSDVHDLJONNJH-UHFFFAOYSA-N 416.397 0.926 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCS(C)(=O)=O 729673248 KROKYTRNWKDHAL-UHFFFAOYSA-N 422.503 0.822 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2cccc(C)c2)C1=O 730865079 OZZXSQXAKOUFOQ-AWEZNQCLSA-N 402.407 0.755 30 20 HCED N#C[C@H](C(=O)c1cnn2c(-c3ccccc3)ccnc12)C(=O)N1CCS(=O)(=O)CC1 732911203 XWQULZPXXYWXOA-OAHLLOKOSA-N 423.454 0.976 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2scnc2C)c1=O 743728540 LWOOKRQNOKIYKF-UHFFFAOYSA-N 402.501 0.223 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 745151013 BVBDTFXBGXSFLG-GFCCVEGCSA-N 404.510 0.989 30 20 HCED N#CCCN(C(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 745478611 LPMHSJCRAKATNB-LTDCPUDJSA-N 411.414 0.639 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1 748227451 PPSGCPLGCQDPJJ-UHFFFAOYSA-N 420.422 0.715 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1 749510419 FGSSEYJCYFBRIS-INIZCTEOSA-N 420.535 0.686 30 20 HCED COc1cccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 750683436 DBKXEZLNSDRJIV-LBPRGKRZSA-N 410.390 0.651 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 752120536 NCNZPDDFDPLCRB-MPBGBICISA-N 416.409 0.613 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 758051323 LUKYLHHEHWPYON-UHFFFAOYSA-N 409.515 0.620 30 20 HCED CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 764892218 YOXGHVJZSGNDDW-DZGCQCFKSA-N 408.480 0.962 30 20 HCED C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCCO1 773219105 KSYFHZNQKKBKMW-DLBZAZTESA-N 421.523 0.013 30 20 HCED C#C[C@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 773547988 JWAGMTKFUSZDHO-XJKSGUPXSA-N 410.452 0.890 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1)[C@@H]1CCCO1 773792865 FWUIKAAPGAGYFA-IRXDYDNUSA-N 407.492 0.951 30 20 HCED C#CCCN1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)CC1 776593388 VMWNUTJTEATACO-NRFANRHFSA-N 413.478 0.134 30 20 HCED N#CCOc1ccc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 779584178 RTBNUBVZPAAHRP-GOSISDBHSA-N 407.492 0.784 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@](OC)(C(F)(F)F)C2)c1=O 780500558 WQAZOTPPJUAHCX-MRXNPFEDSA-N 404.389 0.545 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 783348112 UFFQKSYSOLGAAA-UHFFFAOYSA-N 415.899 0.832 30 20 HCED C[C@@]1(c2cccc(N3CCOC3=O)c2)NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 783984585 NCRLVQQUXRLJSC-IBGZPJMESA-N 411.418 0.973 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)C(=O)NC1(C#N)CCCCC1 786365321 NBMLHHRNXAPSFY-JYXJIEJFSA-N 417.462 0.813 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 787000922 WMFFLXDFYGDFSO-OXQOHEQNSA-N 406.483 0.051 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 787346806 UWLTWYNTBSXFDY-UHFFFAOYSA-N 407.430 0.738 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc(N)o1 788602125 LEWVAGYPMGSCJH-LBPRGKRZSA-N 406.468 0.608 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(-c3nncn3C)c2)n1 789789519 YBFTYPOACHPJKB-UHFFFAOYSA-N 421.461 0.926 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(CN2CCCCC2=O)CC1)c1cc[nH]n1 789976109 HZCPDQWXEIFSGB-UHFFFAOYSA-N 419.482 0.945 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)cc1Br 790836835 RQTICCPXXBQUTB-UHFFFAOYSA-N 422.282 0.161 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C(=O)NCCF 800599043 IPHPBXZDODEKFR-OCCSQVGLSA-N 412.487 0.730 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 804898705 OPHIKTRUPBMGCF-CQSZACIVSA-N 404.433 0.765 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 805092747 WPPNHQBEQKPUKK-UHFFFAOYSA-N 407.496 0.595 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C(C)(C)C 807536118 POPYTYLZMVQNRK-GOSISDBHSA-N 414.506 0.851 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2CCNC(=O)C2)cc1Br 809125565 QTCQTDFCPLQHCL-SSDOTTSWSA-N 404.217 0.791 30 20 HCED CC(C)n1c(S)nnc1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 810383346 APROPIKEBJVYSN-UHFFFAOYSA-N 411.451 0.855 30 20 HCED COCCc1nc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 811030717 HWKJKMXBMIHTKJ-UHFFFAOYSA-N 408.436 0.821 30 20 HCED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 815521268 GKRGBAMPQIERFR-UHFFFAOYSA-N 418.269 0.437 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 913200438 IRKXAWRKQZRJAE-INIZCTEOSA-N 414.397 0.445 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)NC1CCCCC1 916895735 QYTGIQQPEOQFCL-INIZCTEOSA-N 422.507 0.817 30 20 HCED CCOCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918239686 IAMDZJMQAFAKIO-PGMHBOJBSA-N 410.496 0.981 30 20 HCED N#Cc1ccc(OCCN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cc1 920408641 TVIVTSZRWXKIGT-KRWDZBQOSA-N 413.521 0.072 30 20 HCED COC(=O)[C@]1(F)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1116223773 DLLXYLLPORXRKO-KUHUBIRLSA-N 402.382 0.877 30 20 HCED Cc1cc(C)nc(-n2[nH]c(C(=O)N(CCC#N)CCCN(C)C)c(CCO)c2=O)n1 1136411403 LHWGFRFMVVFNRD-UHFFFAOYSA-N 415.498 0.415 30 20 HCED N#Cc1cc(S(=O)(=O)N2CCC(OCC(N)=O)CC2)ccc1Br 1187779027 QKSCBTJEYVYPNX-UHFFFAOYSA-N 402.270 0.976 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(S(C)(=O)=O)CC1 1286960728 PONKSNCZGWTVRN-NEPJUHHUSA-N 418.545 0.061 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)c(=O)n1C 1307379139 SKKPHUWACOXWOP-UHFFFAOYSA-N 400.357 0.678 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(CS(N)(=O)=O)CC2)cc1 1318501839 NLOFEPHYUGTWTJ-UHFFFAOYSA-N 413.521 0.905 30 20 HCED NC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 1339128978 IXVQZNVKVFAUNH-OAHLLOKOSA-N 406.851 0.721 30 20 HCED COC[C@H](Cn1cncn1)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1357599281 SLBRBKYXIQJJSQ-JKSUJKDBSA-N 412.406 0.613 30 20 HCED N#Cc1ccc(OCC(=O)NCCc2nnc3c(=O)[nH]ccn23)cc1Br 1471850521 IRSVHDGKHPLLLD-UHFFFAOYSA-N 417.223 0.789 30 20 HCED CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCN(S(C)(=O)=O)C1 1509581012 ZNWKPVXEAVLURJ-KGLIPLIRSA-N 411.532 0.436 30 20 HCED Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1511749738 LYOQMERYMZDMGC-XPTSAGLGSA-N 414.492 0.539 30 20 HCED CN1CCN(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1517423831 XVEUSODTDUMVRU-DLBZAZTESA-N 403.531 0.537 30 20 HCED COC(=O)c1cccn(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1=O 1638203633 SSLKBGBXOZOACW-TZMCWYRMSA-N 404.423 0.510 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1706826634 WTOIMGGAAOOHGM-MJGOQNOKSA-N 411.510 0.961 30 20 HCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1711317144 LKGMCXZCBDIRJY-HXUWFJFHSA-N 405.466 0.956 30 20 HCED CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1750180851 OZOBEWZVIZTTGG-INIZCTEOSA-N 404.496 0.933 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1750389036 QWXYONRJUVOJEY-MRXNPFEDSA-N 423.539 0.852 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1779016070 LVVAFKRVQQWEIC-IYHCKTHZSA-N 400.483 0.321 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc[n+]([O-])c1)CCO2 1779016518 ZRWUCCARDTWDLC-DZSVRRGNSA-N 401.467 0.235 30 20 HCED CC(C)CNC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779102230 UGGOAKDBCBPQPM-JLHBBBICSA-N 424.498 0.118 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1779107495 VUJJRXKRVCHFJG-OKLZJQBHSA-N 407.467 0.238 30 20 HCED O=C1CCCCN1CC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138477 WVLZJDFRWSQQES-XZEIMLRBSA-N 416.478 0.541 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)n1cnnn1)C2 1779337438 SUJAHKLVNUNVLS-AXHMDWHKSA-N 420.514 0.321 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779873025 LYSHUESNKYEUEL-FQEVSTJZSA-N 417.466 0.002 30 20 HCED CN(C)C(=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1780191588 GFKUPXSKWQYKKH-IBGZPJMESA-N 404.854 0.743 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)c1 1781318220 VKIYOEYLYALNPR-HXUWFJFHSA-N 403.435 0.019 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO3)c(Cl)c1 1781967605 NJWUUEBCTVWXTP-JXFKEZNVSA-N 416.865 0.934 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673383 XIFRLJQPQZAMBX-SFHVURJKSA-N 408.480 0.310 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](Cc1cccc(F)c1)NC(C)=O)CCO2 1783055884 ZXPNVERAFJEKFY-WIYYLYMNSA-N 401.438 0.336 30 20 HCED 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424.461 0.372 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)cc1 538951242 AJENTCJMNUMNIF-UHFFFAOYSA-N 411.461 0.756 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N(C)CC(C)(C)C#N 560304555 DHZDNYSCFMNRAG-UHFFFAOYSA-N 422.507 0.877 30 20 HCED C=CC[C@@H]1N(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)CCCC1(C)C 573760168 UDQPXKRPQHTBSN-HNNXBMFYSA-N 412.512 0.804 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC(C)C 611492437 SMWGHWXWUBCESQ-UHFFFAOYSA-N 404.423 0.862 30 20 HCED COc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)n1 617091879 NILQHHLAAAQKCD-INIZCTEOSA-N 423.429 0.826 30 20 HCED C[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 727010406 YBRXSSUKACRKMD-SECBINFHSA-N 400.313 0.608 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)NC2CCOCC2)ccc1F 728092369 GBQXWKJIVIPADY-UHFFFAOYSA-N 400.428 0.742 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 728570732 LQMSWEOHGUHCFE-QGZVFWFLSA-N 416.522 0.556 30 20 HCED C=CC[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccncc1 734684138 UCHBWJKXXFGGKX-KRWDZBQOSA-N 401.467 0.411 30 20 HCED CN(CC(=O)NCCNc1ncccc1C#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1 737816235 FHVQSVVDNCMDHB-UHFFFAOYSA-N 418.435 0.710 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 747881801 GPQJAPDSWSRVMP-UHFFFAOYSA-N 402.407 0.321 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cnccn2)CC1 747900959 IBFBBUJHOMRWHN-UHFFFAOYSA-N 415.431 0.038 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC(=O)NCCCOC)ccc1F 749585201 SKICCBAGQJGCPD-UHFFFAOYSA-N 401.460 0.515 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758053462 INDVOCVWQVDKKL-UHFFFAOYSA-N 424.438 0.265 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOc1ccccc1C#N 762942702 MTEQJZVJJUHICQ-ZDUSSCGKSA-N 417.443 0.946 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3cccnc3)c2=O)c1 763460235 HKBKKHGWZFTNKC-UHFFFAOYSA-N 419.510 0.668 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)C1=O 763742507 UQPSFKGMBDAUCL-CVEARBPZSA-N 401.419 0.314 30 20 HCED C#CCCN(CC(F)(F)F)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 768616425 VVSWLCUOKSDSNU-NSHDSACASA-N 405.398 0.867 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 770681202 ZPKRNNXSOVSTLQ-CRAIPNDOSA-N 405.480 0.296 30 20 HCED CCCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771889277 AJLJZTRKKLHGMM-UHFFFAOYSA-N 424.479 0.584 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)C2=Cc3ccccc3OCC2)CC1 772693662 XZAOFMATRSBZEC-UHFFFAOYSA-N 403.504 0.897 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1)[C@@H]1CCCO1 773787775 MTESJKCQTRENTP-COXVUDFISA-N 415.446 0.604 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC([C@@H](O)c3nccn3C)CC2)CC1 774704482 PCBBTIDFSSXIJQ-UYAOXDASSA-N 402.543 0.858 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 780089260 DAHXDRGJPNXQOZ-NSHDSACASA-N 401.452 0.698 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)c1 783459299 OKSLMYYGLMCCEW-GOSISDBHSA-N 421.409 0.690 30 20 HCED C#CCOCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 784608297 YJPBOOYVUWSMCK-KRWDZBQOSA-N 408.252 0.982 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 784685040 WXXCTMJARUGDDY-UHFFFAOYSA-N 402.436 0.028 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(C(=O)N(C)C)c2)n1 789788262 PXWNTPMBPBLIKL-UHFFFAOYSA-N 411.462 0.832 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 790297088 OVEOHZGKAJRBDT-DLBZAZTESA-N 422.526 0.342 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC 799285527 HKDRWCGPYZAFIM-ZDUSSCGKSA-N 411.480 0.165 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCCO[C@@H](C)C#N)c2)CC1 801813110 MQCRDEYHZGFPKP-AWEZNQCLSA-N 409.464 0.625 30 20 HCED C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803551674 UNFKOLKOTANNDM-KRWDZBQOSA-N 419.804 0.526 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)nc1 804058497 VNXDTHFYYFXUEU-QZTJIDSGSA-N 412.494 0.018 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 804961886 ODHDLSKGXIRFFC-LBPRGKRZSA-N 418.493 0.135 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 807312718 RFOABUZJIAOTQE-UHFFFAOYSA-N 411.455 0.564 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(F)cc1 813042782 SWNJYBTWBWSTOK-QGZVFWFLSA-N 410.405 0.812 30 20 HCED CC(=NNc1ccc(-n2cccn2)nn1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 915972060 AOMIMTICXGVDHL-UHFFFAOYSA-N 415.435 0.861 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1CCOC 916664655 PYMCEWFJBHNPDQ-UHFFFAOYSA-N 409.414 0.407 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 919539490 HKTRFVDZVGURNX-UHFFFAOYSA-N 423.447 0.396 30 20 HCED C=CCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 919665791 FGDGPGCOHQOHJN-KRWDZBQOSA-N 418.475 0.164 30 20 HCED Cc1oc(NC(=O)COC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c(C#N)c1C 920605619 JYZCJBVOIBJKTF-UHFFFAOYSA-N 413.390 0.453 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN([C@@H]4CCOC4)CC3)C2=O)cc1 1118829610 KYRMIDKRUIBQFP-MSOLQXFVSA-N 411.462 0.696 30 20 HCED CC(C)(C)c1ccc(C#N)c(OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1 1166383927 PFMCJEYTNKYWAU-INIZCTEOSA-N 420.535 0.961 30 20 HCED CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C(N)=O 1170594661 VYEXMMVKSUGNFQ-UHFFFAOYSA-N 400.439 0.651 30 20 HCED C[S@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1302509069 YFLDSSOWNRQIMW-SUMNFNSASA-N 406.512 0.430 30 20 HCED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)n1 1323133494 VEZJUNILQNEXNW-UHFFFAOYSA-N 423.886 0.415 30 20 HCED C=CCN(C(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1337778279 CZQAMCCTGJUCAO-LBPRGKRZSA-N 420.484 0.226 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1340204696 KMLKCZRWPIAMBK-MJWGMMHASA-N 403.483 0.058 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCS(=O)(=O)CC 1499142222 XUSJNZZQIRJSFX-UHFFFAOYSA-N 420.543 0.515 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CC1 1556585956 JGGMUMKWLQBGSW-UHFFFAOYSA-N 416.478 0.909 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1561723771 SXDNDKIPAWHKGX-UHFFFAOYSA-N 421.504 0.294 30 20 HCED N#Cc1cn(CCC(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c(=O)nc1O 1626900944 JPEVCVGRQMNIRV-AWEZNQCLSA-N 417.422 0.890 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1656957685 XWICBKOMGKPVQD-WMZOPIPTSA-N 407.540 0.440 30 20 HCED CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1751003190 LOBAJWCQHMEULE-CQSZACIVSA-N 405.484 0.397 30 20 HCED CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1767614248 ZXDYTIKXCKOGCA-YADHBBJMSA-N 423.521 0.846 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnn1 1770756804 PBXGCDOXHDDVAD-MRXNPFEDSA-N 418.527 0.992 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779016585 KVXFQXBGAXOLTL-SGSZHJQISA-N 418.542 0.570 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1779016968 XOWYCVXSLHTWOH-BCIXFCFJSA-N 421.542 0.010 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n1 1779062241 HJVJNBRSGUKAAG-QFIPXVFZSA-N 414.506 0.720 30 20 HCED COc1ccc2nc(C(=O)N3CCO[C@]4(CCN(C(=O)C#CC(=O)O)C4)C3)ccc2c1 1783561682 FXWSFICYNBJIEA-QFIPXVFZSA-N 423.425 0.775 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)c1 1783980852 ISBMUKJOPIUPMF-SFHVURJKSA-N 424.379 0.680 30 20 HCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)[C@H]2C1 1784323691 DGIVWRNNDFOLNM-YRPNKDGESA-N 424.501 0.928 30 20 HCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccccc1C(=O)OCCO)CCO2 1785424755 KZLVNTFBCXNKKH-JOCHJYFZSA-N 414.458 0.693 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnc(N(C)C)o3)[C@H]2C1 1785881586 DSYZNWMHIFKJCP-VGWMRTNUSA-N 406.483 0.925 30 20 HCED 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C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3cccnn3n1)C2 1793351462 XJLGYWFSQVIHKE-CWPLJXCYSA-N 413.478 0.915 30 20 HCED C=CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CS(=O)(=O)N1CCCC1)C2 1793581797 MCOVIXIQDSOMKN-NXOAAHMSSA-N 413.540 0.641 30 20 HCED COc1nccnc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(C#N)cc1)C2 1794370552 YFXDIWSPIPNLPN-IZZQQSIFSA-N 421.457 0.803 30 20 HCED COc1cc(C#N)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)nn2)c1 1794565673 WMPKLKCZVZCPMH-CCWDJLKJSA-N 423.429 0.579 30 20 HCED CCOC(=O)/C=C/C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1795088143 KNCWMRUZUVYXSP-NFQPGOGDSA-N 423.466 0.224 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccccc1F 1795221409 QAOUWIBNODJDBJ-TXFQXBMRSA-N 415.465 0.816 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]c2ccc(F)cc12 1797477644 FDOQAZCEAXGHEX-ZUMXRPEOSA-N 414.437 0.944 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1CCSCC1)C2 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HCED Cc1ccc(C(=O)N2CCC[C@H]2CN2CCOCC2)cc1S(=O)(=O)NCC#N 426187804 DPENGEUQEJDFDP-KRWDZBQOSA-N 406.508 0.734 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CCN1CCO 427406965 QZSKVYBCDNTCQY-LBPRGKRZSA-N 414.384 0.963 30 20 HCED C[C@@](O)(CNS(=O)(=O)c1ccc(C#N)c(Br)c1)CN1CCOCC1 433888712 SQIFWAJBQBWNBU-OAHLLOKOSA-N 418.313 0.682 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(F)c1 433907203 JKYWNWGDNVPPLH-UHFFFAOYSA-N 424.436 0.886 30 20 HCED CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCOCC1 437964043 OMWGWUXRBZQOET-INIZCTEOSA-N 408.480 0.246 30 20 HCED CNS(=O)(=O)CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 439824185 OFESWYCZXNAFCX-UHFFFAOYSA-N 423.474 0.246 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 441861374 IOEYJESNDINCSU-UHFFFAOYSA-N 401.467 1.004 30 20 HCED COc1cc(NC(=O)CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc(OC)c1 442005400 XKWXTCLUCJAVKJ-UHFFFAOYSA-N 414.422 0.816 30 20 HCED C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 444658221 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0.555 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@](C)(O)CN2CCOCC2)cc1 481017008 QLDQACTXSXVYDL-KDOFPFPSSA-N 410.496 0.577 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482159629 XWRRNXIZBLPZII-IRXDYDNUSA-N 421.567 0.615 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1 485127255 KJGCRDOZARKKKU-GOSISDBHSA-N 408.480 0.156 30 20 HCED COc1ncc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O 486946003 ZMDRLEUNMJXRKH-MRXNPFEDSA-N 408.418 0.983 30 20 HCED C=CCN1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)CC1 487474379 HWLOQQIRTITNMA-QGZVFWFLSA-N 402.561 0.719 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(CCC#N)CCCN(C)C)[C@H](C)O)cc1 499671154 SMVWBJXHBCUWBB-FUHWJXTLSA-N 410.540 0.717 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 502285153 TYOLTYLTZYKYER-WOJBJXKFSA-N 414.506 0.903 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 504365323 SRZFQATWBFMXKG-GFCCVEGCSA-N 423.472 0.518 30 20 HCED C[C@@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 506040839 FAORTXYQYALMOQ-WBVHZDCISA-N 406.508 0.094 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCS(=O)(=O)NC3CC3)C2=O)cc1 507967212 XTVKLIRCGRUGPU-MRXNPFEDSA-N 405.480 0.435 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2c(F)cccc2C#N)c1 511154845 SCEWQJSDBBLEKJ-UHFFFAOYSA-N 404.423 0.903 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)n(C)c2n(C)c1=O 516593155 NGHQZTOMPRQCNE-GOSISDBHSA-N 420.473 0.598 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 520265573 JALJAEQNAFQGPF-IEBWSBKVSA-N 402.495 0.163 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCSC1 535318434 TXKNXZLDUOZBHZ-INIZCTEOSA-N 408.549 0.828 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1C 536451387 YAJVEAXZBOLACQ-HZPDHXFCSA-N 410.434 0.448 30 20 HCED CCN1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1=O 537151545 RGTZZFRKKKZQEU-HUUCEWRRSA-N 401.515 0.587 30 20 HCED CC(C)CS(=O)(=O)N1CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 539724205 UOVRINRTHLKRMW-UHFFFAOYSA-N 406.508 0.854 30 20 HCED Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 543052036 YOUXCKPSEUFGOO-CYBMUJFWSA-N 418.435 0.669 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1=O 549316115 MJMTVRQUSWGAPZ-UHFFFAOYSA-N 400.313 0.670 30 20 HCED CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 549756241 GZKZTVFMWBPRPQ-QGZVFWFLSA-N 414.466 0.846 30 20 HCED CCOC(=O)C[C@@H](O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 550153692 WEFGYMKXQBEJKZ-MRXNPFEDSA-N 403.414 0.828 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 550216528 BCQLDQWKRNGPQP-UHFFFAOYSA-N 407.854 0.916 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 551074386 JLJHTWJTJJEFTK-GOSISDBHSA-N 413.522 0.429 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 551526695 RQUWJQNKKQYJRU-UHFFFAOYSA-N 403.464 0.900 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cccc(Br)c1C#N 553436133 JEVDILPHAMKSQK-LLVKDONJSA-N 416.253 0.373 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)CC2(C#N)CCC2)c1 554905442 HFEOZJPPBLHEDF-GFCCVEGCSA-N 414.509 0.535 30 20 HCED CS(=O)(=O)Cc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 562097283 MUHXWSXMDDWTHN-UHFFFAOYSA-N 421.500 0.698 30 20 HCED CNC(=O)Cn1nc(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1C 573656636 LKZAMJSHDVCMKB-UHFFFAOYSA-N 408.340 1.405 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCCO[C@H]3CCOC3)CC2)cc1 575211655 WUOWWIMEPFZRMO-IBGZPJMESA-N 400.479 0.514 30 20 HCED COc1cccc(CCNC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1OC 580471241 IXFPXBVJUARZNE-UHFFFAOYSA-N 423.473 0.978 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)ccc21 583055181 JYTIYVFDRGYIBY-UHFFFAOYSA-N 416.401 0.907 30 20 HCED COC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1OC 583175724 UVBVUQUOWIZVMV-UHFFFAOYSA-N 417.443 0.948 30 20 HCED Cn1c(=O)c2ccc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)nc2n(C)c1=O 588839140 VIOBZVPKYLQYOA-UHFFFAOYSA-N 416.401 0.524 30 20 HCED CN1CCN(C(=O)CN(C)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 604525812 POHQFQBDUXDMTQ-UHFFFAOYSA-N 406.508 0.610 30 20 HCED C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[S@]1=O 610071514 MOQOBMZQVHAVQK-IYJVBRSBSA-N 409.533 0.938 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 614195513 DVMXUVQIYCZOKJ-HNNXBMFYSA-N 410.438 0.711 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(=O)c1 619209651 UDSBCJZACCXBLH-NRFANRHFSA-N 411.462 0.994 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 674400175 NXYUWLRERYRPEK-PFHJDOJBSA-N 401.463 0.007 30 20 HCED N#CCNC(=O)COC(=O)c1cc(I)ccc1-n1cnnn1 731234178 YNXGUHYTWUTXIR-UHFFFAOYSA-N 412.147 0.063 30 20 HCED CNC(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 745367935 CAZMRYVGMUPNCD-UHFFFAOYSA-N 411.418 0.720 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 745587238 WPRWCVPBHPMHRM-UHFFFAOYSA-N 401.400 0.613 30 20 HCED C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 746111475 KHKPAFLPQBJZFJ-UHFFFAOYSA-N 406.420 0.211 30 20 HCED CCN(CC)C(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748741712 CNRQXVKIBBZJOG-CQSZACIVSA-N 424.548 0.885 30 20 HCED CN1CC[C@H](C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 754772317 CCAVJLBBGCYUFF-JTQLQIEISA-N 400.254 0.994 30 20 HCED C[C@@H]1NC(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)=NN(c2ccccc2)C1=O 757156883 MKNJGVBCVXKGAW-GJZGRUSLSA-N 418.461 0.724 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)cc1 758199707 YJVLZDBIAXKCQE-CQSZACIVSA-N 403.464 0.081 30 20 HCED CC(=NNS(C)(=O)=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 764698446 GFXBYEMGSDDGGM-UHFFFAOYSA-N 403.482 0.445 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)ccc2-c2n[nH]c(C)n2)CC1 767892847 MQXQBCGDIOTAHK-UHFFFAOYSA-N 409.494 0.394 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 770750932 OZJKGKGBNKXLNF-HBTZSIKTSA-N 404.373 0.960 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C)C1CC1 784921299 ZJEGXHNWENCVEN-UHFFFAOYSA-N 405.476 0.579 30 20 HCED CS(=O)(=O)CCOCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 788635669 VBIZSBCHEGFGLS-UHFFFAOYSA-N 411.299 0.660 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)cn1 791186996 SXALTMCEESULSS-UHFFFAOYSA-N 416.441 0.873 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)C1CN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 793468346 IJKIUBLICMEDQT-UHFFFAOYSA-N 409.443 0.771 30 20 HCED Cc1nccn1-c1ncccc1CNC(=O)C(=O)NCCNc1ccc(C#N)cn1 793804645 DSFZCZPAXBNIJV-UHFFFAOYSA-N 404.434 0.687 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)CC1 796180306 PABMWTIZWMPOCQ-KRWDZBQOSA-N 422.526 0.296 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3CCCc4nn(C)cc43)CC2)o1 798761715 UCKJKWKXIGSGNQ-CQSZACIVSA-N 412.450 0.900 30 20 HCED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 802423317 DNWSWNVCVSIAKJ-UHFFFAOYSA-N 404.496 0.981 30 20 HCED C#CCNc1nc(N[C@H](C)[C@@H]2CN(C)CCO2)nc(N[C@H](C)[C@@H]2CN(C)CCO2)n1 804561681 PQBBWKPIEQUXHL-NCOADZHNSA-N 418.546 0.179 30 20 HCED CO[C@@H](C)CN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 807407319 AEJNOEQKSIRTFF-BPHPCYGNSA-N 410.496 0.931 30 20 HCED C#CCn1cc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cn1 807941941 AWBCPOFDDLFTFC-GOSISDBHSA-N 406.446 0.682 30 20 HCED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O 811729641 QFXYMDQXKVSYJV-LJQANCHMSA-N 400.439 0.296 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCCC23CCOCC3)n1 814181525 CRKDLQSIZFLCRI-GOSISDBHSA-N 402.495 0.957 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C1CC1 834293378 GZAJEAVNIIKASZ-INIZCTEOSA-N 414.871 0.755 30 20 HCED N#C[C@@H](C(=O)Cn1nnc2ccccc2c1=O)C(=O)Nc1ccc2c(c1)OCCO2 916967315 SVOLVTOSGFQHON-AWEZNQCLSA-N 405.370 0.910 30 20 HCED CCNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918242387 ANKRRFDTUMCEED-MLIMZQRQSA-N 423.495 0.079 30 20 HCED C=CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)nn1 960695919 IBHSCFJBUVRXLB-GCDKYVQMSA-N 401.467 0.331 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)Cn1nc(C)ccc1=O 998989441 DBYQQTVBVZZYQC-ZBRFXRBCSA-N 400.479 0.781 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CC(=O)N2CCCC2)C1=O 1115987155 PZYPBDRYISKZRJ-ZDUSSCGKSA-N 405.480 0.780 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCNC(=O)c3cnccn3)ccc2c1=O 1263847462 GBFPGODIWYGPOX-UHFFFAOYSA-N 410.459 0.821 30 20 HCED CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1 1318619613 ZTIPETIHEKBDRI-UHFFFAOYSA-N 405.476 0.695 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1322727860 SMRRFYNXIGPCIB-UHFFFAOYSA-N 410.496 0.782 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1359474900 YIJGMWJXXSYEEE-QWRGUYRKSA-N 422.433 0.455 30 20 HCED COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1=O 1468671271 SUATTZPFVMKMPJ-UYAOXDASSA-N 413.522 0.822 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)N(C)C 1509657233 IJNOCWKRYSZXSP-KRWDZBQOSA-N 411.532 0.438 30 20 HCED CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)CC1 1510294140 OGAOKXDHHNAQAQ-HNNXBMFYSA-N 420.539 0.836 30 20 HCED CC(C)(O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541246236 IIKFMJLQTAYQRF-GDBMZVCRSA-N 422.555 0.518 30 20 HCED C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1593859427 WIUZOCCFMRZUHP-UHFFFAOYSA-N 414.861 0.428 30 20 HCED Cc1nnc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)s1 1596816299 XCVQTLHYJRHKSM-UHFFFAOYSA-N 405.505 0.982 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 1611307312 AZSZLPLEHZSFND-UKRRQHHQSA-N 422.515 0.315 30 20 HCED COc1cccc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCN2)c1 1634881802 XKZSEWINCRIUAP-KRWDZBQOSA-N 414.487 0.907 30 20 HCED CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1728265310 LDMUMNIAFJMSNI-UHFFFAOYSA-N 411.466 0.533 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1752451407 WNBJUYUSVSNQPX-JOQOYGCGSA-N 409.512 0.460 30 20 HCED 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CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443468146 TURUAYPZSODDMF-UHFFFAOYSA-N 422.326 0.977 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC2(CCOCC2)O1 448317979 LPQHKMPGKPRWCB-HNNXBMFYSA-N 424.461 0.933 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCCN2CCCCCC2=O)cn1 460616018 CMHZFNKXNPBYTR-UHFFFAOYSA-N 409.450 0.986 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460761193 VRDMIRZDYKMPNG-UHFFFAOYSA-N 418.460 0.848 30 20 HCED N#CCN1CCN(C(=O)CC2(CC(=O)N3CCN(CC#N)CC3)CCCC2)CC1 461465607 UGMMPXFCWNZMPK-UHFFFAOYSA-N 400.527 0.663 30 20 HCED N#Cc1ccc(OC2CN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)cc1 461964792 WCBSWTXQQXZXMJ-UHFFFAOYSA-N 401.448 0.704 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 480923680 CHJKQKDNFQXVAT-UHFFFAOYSA-N 410.430 0.890 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc(C#N)s2)c1=O 482554746 MMPSMUPGDCWABA-LBPRGKRZSA-N 414.512 0.683 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(OCCO)cc1 483126692 YQKPTUYEXDRMEK-CQSZACIVSA-N 403.460 0.913 30 20 HCED CCOC(=O)c1cnn(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1C#N 499472103 CFGJMXIIKDDJEL-UHFFFAOYSA-N 403.420 0.168 30 20 HCED C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)[C@H](C)C(=O)NC[C@H]1CCCO1 507535781 OHLCGVKCDJHXCG-ZIAGYGMSSA-N 405.480 0.984 30 20 HCED Cc1ccc(C(=O)N2CCN(CCN3CCCC3)CC2)cc1S(=O)(=O)NCC#N 513121984 BJJAQUNLVNDAGK-UHFFFAOYSA-N 419.551 0.651 30 20 HCED CN(C)C(=O)CCN1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 518298728 UQVGXBXTNNOJOX-UHFFFAOYSA-N 420.535 0.532 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC[C@H](C)C#N)CC2)cc1 520360454 QMHYZUUWLJKNLM-MRXNPFEDSA-N 406.508 0.884 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(C#N)c(C)n2)c1 520682898 XRMNJWBUCZGZSE-LBPRGKRZSA-N 401.448 0.927 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 526105627 DQWYYQLTDLRDIE-UHFFFAOYSA-N 401.872 0.944 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)o1 533180453 QYQHHPDPQVFAQP-NSHDSACASA-N 405.436 0.936 30 20 HCED Cc1nn(C[C@@H](O)COc2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCOCC1 535121748 TVAATOVMHAJKFM-QGZVFWFLSA-N 420.491 0.832 30 20 HCED C[C@]1(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC(=O)N1 536093339 ZKNMZCUKQAPKCK-LJQANCHMSA-N 404.492 0.840 30 20 HCED C[C@H]1[C@@H](C)N(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCS1(=O)=O 538352328 VTFJSMPUQMSKML-OWCLPIDISA-N 410.565 0.964 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 540967801 ZITBRAOLLUIGKV-GFCCVEGCSA-N 401.393 0.991 30 20 HCED C[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 542997842 BLOVXWPVVWQIEW-ZDUSSCGKSA-N 400.414 0.658 30 20 HCED CC(=O)N1CCc2cc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)ccc21 547714470 MWYWLCZVOWNCLF-UHFFFAOYSA-N 416.463 0.828 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)Nc3nnc(NS(C)(=O)=O)s3)CC2)o1 549236307 CNVNAPZDCAXMJU-UHFFFAOYSA-N 411.469 0.933 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCC#CCO)CC2=O)cc1 555588316 QGPRBVQYNYJKJE-HNNXBMFYSA-N 407.492 0.182 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCNc3ccccn3)C2=O)cc1 556242162 QMOSQINUIIBFQZ-SFHVURJKSA-N 420.473 0.789 30 20 HCED COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCCn1cnc(C#N)n1 557110886 DMZIUFJRMMIVGY-CQSZACIVSA-N 402.480 0.826 30 20 HCED Cn1c(N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)c(C#N)c(=O)n(C)c1=O 561360497 UZORAQQGVBPGED-AWEZNQCLSA-N 400.439 0.964 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N 561731152 WCHQYFYPRPESSE-AWEZNQCLSA-N 404.489 0.637 30 20 HCED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)Oc1ccccc1F 584191471 CPNCAFHJESGNNH-LBPRGKRZSA-N 402.430 0.977 30 20 HCED CC(C)(C)CN(CCO)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868331 FKVIBSUYBQDGMK-QGZVFWFLSA-N 400.479 0.642 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)C2)nc1 590272854 LKEWSTBSQSXUCX-SJORKVTESA-N 410.434 0.947 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O 592225291 UNMIWFATUOBRTI-QGZVFWFLSA-N 408.466 1.015 30 20 HCED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(N)=O)c2=O)cc1 608911191 QFACNFSZOLFWQQ-UHFFFAOYSA-N 410.499 0.300 30 20 HCED COCc1nc2n(n1)C[C@@H](NC(=O)NC1CCN(c3ccc(C#N)cn3)CC1)CC2 610707139 XZIPQGANNRSMHG-INIZCTEOSA-N 410.482 0.974 30 20 HCED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 611224191 FRIXPTVPMKGBIV-CQSZACIVSA-N 423.429 0.736 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN([C@H]4CCC[C@H]4O)CC3)C2=O)cc1 617055605 JEVNKCFQOQCTPR-SLFFLAALSA-N 411.506 0.900 30 20 HCED C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 670213396 MTVXCVWUFKLNHJ-UHFFFAOYSA-N 400.531 0.926 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730621073 QSOYRRGLNWRYBI-GXTWGEPZSA-N 417.418 0.754 30 20 HCED CCN(CCC#N)C(=O)CN1C(C(=O)OC)=NC2=NS(=O)(=O)c3ccccc3N21 731810729 DILUVQYGEKRWRB-UHFFFAOYSA-N 418.435 0.116 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cn1 732560913 CGGBSBXMHZKFAC-UHFFFAOYSA-N 405.483 0.897 30 20 HCED C[C@@H](NS(C)(=O)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 733889137 PDDASTDXHYZCBO-GMVXBXSFSA-N 402.498 0.376 30 20 HCED CCOCCCN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H](C)C1 734669641 YVAIGQMGHSYRHX-WMEZAZGNSA-N 407.515 0.949 30 20 HCED Cc1cc(C(=O)OCC(=O)NC2(C#N)CCCCC2)nc2c1c(=O)n(C)c(=O)n2C 738862081 ZXZFTWLGPBYZSZ-UHFFFAOYSA-N 413.434 0.440 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742491390 LVDIRVGRDSBSGC-JKSUJKDBSA-N 422.551 0.977 30 20 HCED Cc1ccc(OCC(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1 746385151 VESMHXKLGJXKCB-UHFFFAOYSA-N 410.434 0.403 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 746630131 MKRDXBNLCJIERZ-AWEZNQCLSA-N 423.491 0.684 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1 747810276 UHELBZNDAXDRJR-UHFFFAOYSA-N 405.414 0.290 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N1CCOCC1 748105206 QFLQZAHDGQPQIY-UHFFFAOYSA-N 410.496 0.378 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 749338816 TXWZXKSTTDCIGX-JTQLQIEISA-N 403.254 0.938 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 749665510 DFOYYYALGIRPMK-UHFFFAOYSA-N 418.469 0.789 30 20 HCED C#CCSCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 760367768 LRMQRSZQOFWERU-INIZCTEOSA-N 411.549 0.698 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOc1ccc(C#N)cc1 762937518 KUJWWNHDQDOFRX-CYBMUJFWSA-N 417.443 0.946 30 20 HCED CN(C)CCOc1cc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccn1 763018326 ILJMZGJKEKVYRL-ZCXUNETKSA-N 402.455 0.348 30 20 HCED C#CCN(CC)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 764513348 HZYWPJUCPHCLSW-JMPLCFMRSA-N 412.533 0.862 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncs2)c1=O 767884946 ODKFMYNJDUGODF-UHFFFAOYSA-N 406.558 0.901 30 20 HCED C#C[C@H](C)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 771614351 HFGCKPYXTYHODC-FZMZJTMJSA-N 407.897 0.987 30 20 HCED C=CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 772711041 SELVWDYPOPYJLW-CHWSQXEVSA-N 402.494 0.730 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NS(=O)(=O)CCCC#N)s1 776117230 LKMQZPUFQWDJLZ-LBPRGKRZSA-N 405.523 0.959 30 20 HCED N#CC1(NC(=O)COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCC1 784232874 DNCNUHBRNWJNPZ-ZDUSSCGKSA-N 415.855 0.085 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)[C@H](C#N)C1 787115226 NLTZKLPGVMRJIL-OAHLLOKOSA-N 414.466 0.603 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CCC3(CC2)OCCO3)n1 787407799 GLLKDLICWAWPKV-UHFFFAOYSA-N 404.467 0.293 30 20 HCED Cc1cccc(CNC(=O)[C@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)c1 789493064 YTKIMYOTBDGTBY-OAHLLOKOSA-N 407.430 0.523 30 20 HCED C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 795972056 OOCKIWISALOVQK-LBPRGKRZSA-N 402.432 0.505 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(C#N)c(C)c2)CC1 796180329 OIJTZYAYTJCNBV-UHFFFAOYSA-N 414.505 0.998 30 20 HCED CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 796376768 KIMVJNIWVBESNF-CMTMBAJVSA-N 408.455 0.655 30 20 HCED COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 808027385 ADSXKPVORPZMKG-OLZOCXBDSA-N 419.486 0.238 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 808616164 VJNJWVFOAMGKFA-AWEZNQCLSA-N 424.475 0.953 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812198687 UMXPQLKUVWKLLU-INIZCTEOSA-N 406.512 0.732 30 20 HCED C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813982905 YSESLNMIZRFNJR-RYUDHWBXSA-N 419.463 0.505 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 916893000 VACKLLZIVSTHPJ-KRWDZBQOSA-N 418.475 0.430 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cc1 916949439 CFFJDTHGPQEFQF-AWEZNQCLSA-N 407.386 0.602 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCN3CCN(C(C)=O)CC3)ccc2c1=O 917139750 FJFPAKGLDBKVCN-UHFFFAOYSA-N 415.519 0.765 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1cncn1 920475200 FWSRGQDIFYGSQR-HNNXBMFYSA-N 404.496 0.938 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc1 926835525 WHCXLGZRNLCTDP-UHFFFAOYSA-N 408.436 0.681 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1cc(=O)n2ccccc2n1 1116850456 OOKXCLXXBJQOLM-UHFFFAOYSA-N 409.431 0.903 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](NC(=O)N(C)C)C1 1142055728 JRUQUXAPVFHVFE-DZGCQCFKSA-N 407.496 0.487 30 20 HCED N#Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1307604022 RJQWJNCQOHJCFX-ROUUACIJSA-N 409.508 0.424 30 20 HCED N#Cc1ccc(OCC(=O)NCc2nnc3c(=O)[nH]ccn23)cc1Br 1538188810 ZBAWJRSEZXDIHQ-UHFFFAOYSA-N 403.196 0.747 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)CCO1 1555992776 BQSMJYAWDPATKY-KBPBESRZSA-N 422.536 0.998 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)cn1 1558226375 MPQNIQCFFSCYBJ-LJQANCHMSA-N 409.446 0.889 30 20 HCED COC(=O)Cc1ccccc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1611310718 WXOBBGROFCRZHX-UHFFFAOYSA-N 401.444 0.868 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 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C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 52711722 IANWRAOETHKWCQ-LBPRGKRZSA-N 401.510 0.532 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H](C)C#N 108975754 NGMXRVASLHEVFN-MRXNPFEDSA-N 403.508 0.873 30 20 HCED N/C(=N/OCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cccc(OCc2cccnc2)c1 109807883 MUEOFKMSJUHPSN-MRXNPFEDSA-N 418.475 0.601 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 409500236 JOUAQMBTHBTMEP-WMZOPIPTSA-N 408.524 0.772 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 434102959 DPNYVTIRIHHZAF-INIZCTEOSA-N 415.537 0.693 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)CC2)nc1 435498842 AEHKYMJFWQDMOE-KRWDZBQOSA-N 418.457 0.844 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 438725239 PTAOPLIGCIMONZ-QGZVFWFLSA-N 407.478 1.473 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 442904070 RLFLXQNLWPKZKY-UHFFFAOYSA-N 412.415 0.261 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 443514765 YQCPGBIEJDWCGW-UONOGXRCSA-N 419.482 0.335 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@]12CCCO2 460661093 IYHPYHPPXLSDRF-RZQQEMMASA-N 410.434 0.920 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 470473794 CKXNFQVHFOKEKV-JKSUJKDBSA-N 420.535 0.937 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 478321416 WEXRCVZPLBMYBP-INIZCTEOSA-N 421.523 0.617 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccsc1 479369609 BKAYMCCXURWWNZ-UHFFFAOYSA-N 413.480 0.915 30 20 HCED C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 484558542 SALAXWDLWLRJNL-UHFFFAOYSA-N 411.524 0.663 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(C#N)c2)C1 488068611 BAZDCIMVTKKRBA-GOSISDBHSA-N 408.524 0.547 30 20 HCED N#Cc1cccc(NCC(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 494545654 KTZOPPDCOLRFFS-UHFFFAOYSA-N 413.459 0.729 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(F)c1Cn1cccc(C)c1=O 499750321 OOABLTRNGYHFGK-UHFFFAOYSA-N 400.410 0.701 30 20 HCED CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 503216809 MKFNXIDRPVQTPX-DOMZBBRYSA-N 424.396 0.928 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508486806 DBFNAPDNZGNWPX-AWEZNQCLSA-N 408.484 0.608 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)C2)nc1 514310987 HUXGOCOJZOJBOI-GPMSIDNRSA-N 420.491 0.852 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NCCC)cc1 516086113 GRQPRSHAESIUDW-UHFFFAOYSA-N 410.496 0.464 30 20 HCED COC(=O)CN1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 518582937 FYCYMGXTSOWSHX-HNNXBMFYSA-N 422.507 0.493 30 20 HCED CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 526112305 MRLIFNPLPBBWFM-UHFFFAOYSA-N 415.494 0.838 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)c[nH]3)CC2)c1C#N 530416201 JNDUOPGSIMVMIB-UHFFFAOYSA-N 405.484 0.141 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 539266635 MECTWXAFUROWBV-QGZVFWFLSA-N 402.495 0.242 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 541895574 RVRAHSXTTHWCHG-SFHVURJKSA-N 407.544 0.645 30 20 HCED CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542293370 MFDRIDMTCJDJOH-INIZCTEOSA-N 404.467 0.437 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)C1=O 544824640 ZASIOFCMBPHKTB-UHFFFAOYSA-N 412.402 0.641 30 20 HCED Cc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 547301118 UNKYZSMZSHVAEI-KRWDZBQOSA-N 404.430 1.544 30 20 HCED COC(=O)c1cccc(CS(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548042582 ALUKBCJEEKNYAA-UHFFFAOYSA-N 405.436 0.846 30 20 HCED C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 550789794 BFIYTXUEXUWIDS-HZPDHXFCSA-N 417.558 1.129 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 555676765 WGEMMSRAHJTKQV-FQEVSTJZSA-N 400.523 0.770 30 20 HCED CN1CCN(c2ncccc2CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 557105399 VRSUHOOFSRAVDU-UHFFFAOYSA-N 406.490 0.980 30 20 HCED CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 565622910 VZYVNBQVJGEAHP-RHSMWYFYSA-N 414.462 0.575 30 20 HCED N#Cc1ccncc1N1CCN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 567460551 FUDXNXDSUNHUCM-UHFFFAOYSA-N 408.462 0.653 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC#N)CC2)c(Br)c1 572260292 WWDGJJVQUIRLBQ-UHFFFAOYSA-N 422.326 0.682 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCCc1ccc(OC(F)(F)F)cc1 584683296 GQQCZEVNFMGKOL-UHFFFAOYSA-N 408.402 0.876 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 585716253 WXZJWLWQNIEPCR-UHFFFAOYSA-N 407.478 0.816 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 588127876 SFMFAIFEAMMHLB-UHFFFAOYSA-N 400.439 0.348 30 20 HCED CC(C)[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)N1CCOCC1 603446296 BSMQTBXWALTGMA-SFHVURJKSA-N 408.524 0.652 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 603923649 ITNKRNSJNZCKPW-UHFFFAOYSA-N 421.425 0.955 30 20 HCED CS(=O)(=O)c1nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c2ccccn12 604466115 YZGVSXJSRNZKDW-UHFFFAOYSA-N 410.459 0.967 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(OC)nc1 608884230 BPHSCPBVRPWMHR-UHFFFAOYSA-N 419.466 0.503 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 610384537 IXQDUGQHOZHIEY-BLLLJJGKSA-N 410.434 0.939 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 685170033 ROODYKJWKNBBCP-RHSMWYFYSA-N 411.462 0.911 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 728590247 YHRHMMJJCNRGMM-UHFFFAOYSA-N 403.426 0.902 30 20 HCED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1 736838828 ICTIWHPSXGJKFX-UHFFFAOYSA-N 409.439 0.896 30 20 HCED CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 737304468 IVBHRTOLDXRRQM-NDWLXSOOSA-N 424.523 0.961 30 20 HCED COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC#N)CC(=O)OC)c1 737859670 FLGXCRNAKMJLMZ-UHFFFAOYSA-N 403.844 0.403 30 20 HCED C[C@H](CC(=O)NCCNc1ncccc1C#N)/N=C1/NS(=O)(=O)c2ccccc21 742580857 VCXWAIFUHCBZHP-CYBMUJFWSA-N 412.475 0.999 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C 744538998 BJXIHFXOUWABGF-COOUDCDJSA-N 414.422 0.932 30 20 HCED C[C@H](CC(=O)OCC(=O)N(C)C(C)(C)C#N)/N=C1/NS(=O)(=O)c2ccccc21 745498662 ZGXIXFJAPIVTOU-GFCCVEGCSA-N 406.464 0.807 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CCc2ccc(S(N)(=O)=O)cc2)cc1 746556196 KUFJQOJQERVKQR-UHFFFAOYSA-N 401.444 0.998 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 754391165 YWBGAPYFYICWGI-AWEZNQCLSA-N 418.516 0.302 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1CC(N)=O 760385251 ORHSRZPQRCWFIF-JTQLQIEISA-N 418.906 0.870 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)CN2CCCC2)c1 773472108 HIZVOSAQNDKVKT-QGZVFWFLSA-N 411.462 0.929 30 20 HCED C#C[C@@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)[C@H]1CCCO1 773563234 SYZNMLHAFXYMQZ-IAGOWNOFSA-N 408.499 0.984 30 20 HCED CCOc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2nnn(C)n2)c1 783043879 DFCFGFNOZZXXAK-CYBMUJFWSA-N 403.468 0.877 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 783482037 ZUUJXABLATWVAI-LBPRGKRZSA-N 411.386 0.747 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)n(CCC#N)n1 785257433 SVKMMJSQQBZODD-CABCVRRESA-N 401.423 0.988 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)c(Br)cc1Cl 796216637 HKURATNVOUXRGZ-UHFFFAOYSA-N 424.660 0.807 30 20 HCED C=C(C)CS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 797817062 OLKLQACJJIZBKG-UHFFFAOYSA-N 406.438 0.900 30 20 HCED Cc1ncc2c(n1)CCC[C@H]2NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 806239230 DJYKKNVRQCCDDL-GOSISDBHSA-N 405.462 0.894 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 810781016 ZZFXWRLZTDKLST-ZIAGYGMSSA-N 414.505 0.567 30 20 HCED CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 815806504 PRXVSHQIEVAKGL-HNNXBMFYSA-N 414.397 0.496 30 20 HCED C[C@H](C(=O)N(C)CC(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)n1cccn1 815941080 PLWOZGKYTAKNKU-LLVKDONJSA-N 409.855 0.933 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(C)c2)c1=O 838243657 SCIOFCIVRFCNKQ-UHFFFAOYSA-N 409.471 0.431 30 20 HCED COCCn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn(C)c2)c1=O 838245147 IBROSGKUYPVTJL-UHFFFAOYSA-N 412.446 0.815 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1 839098655 YXFCDXLAQJNOJZ-UHFFFAOYSA-N 407.499 0.908 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCN2C(=O)CCC2=O)cc1OC 916924629 YGJHMZOPEWUHFP-CQSZACIVSA-N 401.419 0.610 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1 918587023 ZHTITUHEQHZVIM-UHFFFAOYSA-N 422.463 0.804 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccccc2OC(F)(F)F)c1=O 918729932 LEVQUGNGHMYAFP-UHFFFAOYSA-N 422.388 0.923 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1223879654 WVAHBHUJXBCBIH-ZIVXASGVSA-N 404.511 0.638 30 20 HCED CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1313957687 WZNJTOYRRSFPTF-QZTJIDSGSA-N 403.531 0.538 30 20 HCED CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1314637892 XLJLQOLSCDFUQQ-INIZCTEOSA-N 416.507 0.918 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1322199316 FBVNROVNMRPKAI-IFXJQAMLSA-N 410.492 0.981 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2CCCN2c2ncnc3ccccc23)c(=O)nc1O 1470360512 IGVGKZWFOMXWGJ-MRXNPFEDSA-N 405.418 0.549 30 20 HCED Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1492707334 RZNNVHGJGPDHEJ-UKRRQHHQSA-N 422.515 0.212 30 20 HCED CN(CCN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1)Cc1ccccc1 1543046979 TZXNVDLDWQYTLU-UHFFFAOYSA-N 410.478 0.097 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)c1 1561691481 OSRSORDHVQICSA-INIZCTEOSA-N 401.510 0.756 30 20 HCED CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1617608775 LJYBTTRDMILTDA-OAHLLOKOSA-N 402.480 0.528 30 20 HCED N#Cc1ncn(CC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)n1 1624006351 ZMWHCTZOZLLLAV-RISCZKNCSA-N 400.361 0.224 30 20 HCED Cc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc1 1663985499 WLSKQYMPIWQCAC-OAHLLOKOSA-N 413.521 0.702 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)NC[C@]3(O)CCS(=O)(=O)C3)CC2)c1 1683532881 KZMREEHOODYQOM-LJQANCHMSA-N 406.508 0.371 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC[C@H]1C 1730763772 ZQGVZBBXTYWLGP-CVEARBPZSA-N 405.503 0.316 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2=NN(c3ccccc3)C(=O)C2)C1 1778127727 WKTZSOLTUCVRHI-XMSQKQJNSA-N 408.458 0.926 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382390 JTFPXARXWZDHAQ-QVKFZJNVSA-N 415.494 0.672 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1778849839 OWIDUZYDKKYDCM-HXUWFJFHSA-N 409.450 0.335 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](COC)NC(C)=O)CCO2)C1 1778885973 OCTFXBBDXIVLIX-DBXWQHBBSA-N 407.511 0.736 30 20 HCED 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424.461 0.233 30 20 HCED CCOC(=O)N(CC(=O)N1CC[C@@]2(CN(C(=O)CC#N)CCO2)C1)Cc1ccco1 1784301554 HGBIQVVVUICIBF-FQEVSTJZSA-N 418.450 0.982 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3O)C[C@@H]21 1784483397 WOFGVHVRPGVKDD-CAIZAGQASA-N 400.475 0.953 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCSC(=N)N)C[C@@H]21 1784491521 IXEHGFXDLRAWDM-JYJNAYRXSA-N 412.556 0.966 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cncs3)[C@H]2C1 1786204993 IMSJAMKUFLXFSV-LSFZBXBFSA-N 404.492 0.595 30 20 HCED Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CC#N)[C@H]3C2)cc1 1786365195 CITOISDMHAHSNE-SZMVWBNQSA-N 419.503 0.662 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCNC(=O)C3)C[C@@H]21 1786563769 CHEBUXJJJGHCKQ-MUGJNUQGSA-N 409.486 0.544 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(N)s3)C[C@@H]21 1786858299 OWJITSXTYDHNGO-IHRRRGAJSA-N 420.539 0.600 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](N)c3ccccn3)[C@H]2C1 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CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 540004104 RGBMRVQHGZDTEF-MRXNPFEDSA-N 402.480 0.696 30 20 HCED Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 544638303 PJARJSJAASUFSE-UHFFFAOYSA-N 414.443 0.340 30 20 HCED CCOC(=O)c1ccc(N2CC(NC(=O)CNC(=O)c3ccc(C#N)cc3)C2)nc1 547778115 XAVBRYUFEMEVPY-UHFFFAOYSA-N 407.430 0.865 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3cccc(C(N)=O)c3)C2=O)cc1 556157656 WOSGQIYEOJGOMZ-SFHVURJKSA-N 419.441 0.585 30 20 HCED COCCn1cc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 558199905 DZJZMLAPOIZLFO-IBGZPJMESA-N 410.478 0.382 30 20 HCED CCn1c(N)c(C(=O)CN2CCN(c3snc(C)c3C#N)CC2)c(O)nc1=O 562051764 JTNHYHOVMVLWNZ-UHFFFAOYSA-N 403.468 0.193 30 20 HCED Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 574787970 OWLDNOCOZLNBHN-MRXNPFEDSA-N 407.434 0.112 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)C2=O)cc1 575355169 QYDSBWAUHGKKOU-QRVBRYPASA-N 410.474 0.660 30 20 HCED CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)c1 580471586 YIBIUTKSQLDZCU-CYBMUJFWSA-N 418.479 1.451 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 610698240 YJLNMDVGEFHORW-IIAWOOMASA-N 423.481 0.496 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CCN(C)CC2)C1 610807118 NOXKPCRLTPOMMZ-DOTOQJQBSA-N 419.551 0.510 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(c2nccn(C)c2=O)CC1 613165168 UGRUIKROKDOFNP-UHFFFAOYSA-N 419.449 0.895 30 20 HCED N#Cc1ccnc(N2CCN(C(=S)NCc3ccc(S(N)(=O)=O)cc3)CC2)c1 726454726 BPCXCTYVPBZAPB-UHFFFAOYSA-N 416.532 0.797 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cc1C 729671944 YAVUMCYAZQRTGZ-UHFFFAOYSA-N 403.485 0.298 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c1 730094866 UYGKNBQJKDSANS-UHFFFAOYSA-N 403.464 0.248 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)Cn2nnc3ccccc3c2=O)cc1Cl 730404376 XIBQRUPAPDWIKN-UHFFFAOYSA-N 403.807 0.822 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 730621074 QSOYRRGLNWRYBI-JSGCOSHPSA-N 417.418 0.754 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CC)c2)c1=O 732563428 ZBQASYBWMDEWPJ-UHFFFAOYSA-N 415.519 0.288 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 733148902 NMXVSHBSPPXKKL-JOCHJYFZSA-N 411.550 0.259 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 733149135 YYXINJQYFYACKB-LJQANCHMSA-N 412.490 0.854 30 20 HCED CC[C@@H](COC)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 739122706 QASNXHGHQDLIET-JEEMYIIMSA-N 410.496 0.979 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCN(CC#N)C3)C2=O)cc1 742183089 APQIDCLVVDMFSC-YCRPNKLZSA-N 413.478 0.814 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nccnc2C(N)=O)cc1 742246144 YSVGXWMJLXFONB-XKZIYDEJSA-N 402.436 0.641 30 20 HCED CC(=O)N(C)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742583022 HPYSBAMMKHEEFP-CYBMUJFWSA-N 406.508 0.973 30 20 HCED N#C[C@@H](C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)Nc1ccccn1 747021862 ZVGNUUKAEPYJGP-INIZCTEOSA-N 403.398 0.801 30 20 HCED COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1cccc(C#N)c1 751657010 KFFULDCEVDTFGX-INIZCTEOSA-N 406.420 0.336 30 20 HCED C#CCNC(=O)C1CCN(c2ncc(C)c(N3CCC(C(=O)NCC#C)CC3)n2)CC1 754470546 FFOQCFPIBXGGRB-UHFFFAOYSA-N 422.533 0.717 30 20 HCED COC[C@H](O)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 766144330 CQBWRHKJDPZPNO-ZDUSSCGKSA-N 404.379 0.005 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NC(=O)NC1CCCC1 767625950 FTASNMHSOSXJRS-LBPRGKRZSA-N 422.463 0.537 30 20 HCED C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 768616422 VVSWLCUOKSDSNU-LLVKDONJSA-N 405.398 0.867 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NN2CC(=O)NC2=O)c1 770255894 DJWQCMKTKJUEBR-KGENOOAVSA-N 422.467 0.868 30 20 HCED C#C[C@@H](NCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)[C@H]1CCCO1 775795155 MNJVOAXOWRJZOL-VXGBXAGGSA-N 419.459 0.757 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 777288383 SSKZUHZHTMHIQQ-UHFFFAOYSA-N 417.871 0.120 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CCOC 777938892 AYWUEWKIJWXGRV-UHFFFAOYSA-N 419.478 0.269 30 20 HCED C=CCS(=O)(=O)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 781466235 LSNDZLXDLLQGBR-UHFFFAOYSA-N 418.401 0.992 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nc(N)c3c(C(=O)OCC)c(C)oc3n2)CC1 781882303 BZHLDUNXADQSQR-UHFFFAOYSA-N 414.466 0.157 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 786897944 KSWNQYJPWARPJR-SJORKVTESA-N 406.527 0.916 30 20 HCED CCCNC(=O)c1cccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)c1 787754178 LXCDPPWYCMQXAG-UHFFFAOYSA-N 408.462 0.938 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(COC)ccc2OC)CC1 795845471 TUYQFMBWJHOPMY-UHFFFAOYSA-N 409.508 0.287 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC(F)F 797762931 ARXSCEGONPDKAA-LBPRGKRZSA-N 416.450 0.637 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nnc(S(C)(=O)=O)s2)c1 803265337 NMJQYPLQLOYJLP-UHFFFAOYSA-N 415.474 0.210 30 20 HCED C#CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(N2CCC3(CC2)OCCO3)n1 804341860 OITBLQFNFIOFAN-UHFFFAOYSA-N 416.482 0.025 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1)[C@@H]1CCCO1 809308819 BDCJBCGICDBBBH-MJGOQNOKSA-N 403.454 0.776 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCN(c4ccccc4)CC3)CC2)cn1 812558622 JOJKSLMPEGZKMF-UHFFFAOYSA-N 404.474 0.951 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=N)N2CCN(c3ncccn3)CC2)[C@H](C#N)C1 849081916 PWTNVLSHVZCJSW-HUUCEWRRSA-N 400.487 0.882 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 916870729 NJKYOXWTUYURSZ-FOIQADDNSA-N 400.435 0.624 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 917489730 OSXDARZVSLCTRX-GOSISDBHSA-N 407.405 0.982 30 20 HCED C=CCOc1cccnc1C(=O)N(CCO)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1058892254 XXTHYLTYSHIAGE-KSTXQTNUSA-N 401.463 0.621 30 20 HCED C=CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1116350166 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409.464 0.410 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)CCN2CCCS2(=O)=O)cc1 1342521758 STVCCOYIJOFYSO-OAHLLOKOSA-N 406.464 0.461 30 20 HCED Cn1cc(N2C[C@H](C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 1435874505 YXHPPACYICKCLN-QAPCUYQASA-N 406.446 0.956 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507855961 VXJKDCZMKZNWKE-FRRDWIJNSA-N 407.924 0.881 30 20 HCED N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)CC1 1521110061 IVEIAQVZNJSXSN-UHFFFAOYSA-N 413.404 0.933 30 20 HCED COc1cc(C)c([C@@H](C)NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1OC 1559448646 JTGOWEWVBFWMOD-GFCCVEGCSA-N 400.435 0.930 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(=O)n1C 1559449081 ZFDAHQRQSBDCMK-UHFFFAOYSA-N 401.448 0.405 30 20 HCED COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1)OC 1619598501 MWJWNVSHGFSSAT-RTBURBONSA-N 412.494 0.999 30 20 HCED CN1CCN(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1628706908 WBEWSAJCEMKEBG-UHFFFAOYSA-N 407.478 0.371 30 20 HCED 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CC(C)n1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835344701 QTTUUXYSVBCCCS-HXUWFJFHSA-N 401.467 0.838 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1835344779 UICNBEKHXIKOQO-QFIPXVFZSA-N 415.490 0.445 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccn3)C2)C1 1835672755 MAYPMWRJXHKLBS-NRFANRHFSA-N 415.494 0.433 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836130478 MTDLNYHFMJKDQQ-HXUWFJFHSA-N 405.499 0.727 30 20 HCED CCc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n[nH]1 1836280907 LRINDHLOHXBKHJ-YWZLYKJASA-N 421.498 0.843 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc[nH]c3[N+](=O)[O-])CCO2)C1 1836508321 VQFZMTMZHDDRAY-FZKQIMNGSA-N 407.427 0.600 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1836903097 PEGKKJLBWHZBTO-PBHICJAKSA-N 424.498 0.894 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C(C)=O)C2)C1 1837392671 HEUOFLQWXVWZHK-IIBYNOLFSA-N 410.511 0.631 30 20 HCED 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C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843845768 MIDSTTWMAQLNNC-XHSDSOJGSA-N 405.495 0.877 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)ON=C(C)C)C1 1845251823 QCHPLZASSQDVLJ-UONOGXRCSA-N 402.517 0.319 30 20 HCED CN(CCC#N)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 45798637 QNIOHACXZQCZPB-UHFFFAOYSA-N 405.458 0.090 30 20 HCED CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc2c1=O 51430011 DLJUIJMXISAYLK-UHFFFAOYSA-N 404.430 0.939 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c(C#N)c1C 52971749 NEDIQMSYYQKCKL-AWEZNQCLSA-N 401.467 0.862 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)c2nc[nH]n2)CCO1 409507863 BNGIRODAGBMUTB-CHWSQXEVSA-N 416.385 0.972 30 20 HCED COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)ccc1OC 435114698 VDRQIAPHNZHLFL-OCCSQVGLSA-N 424.479 0.367 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 435497220 OARXIPKSBUIOHL-QGZVFWFLSA-N 418.457 0.844 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 442016483 YODQPSKMIAGCQL-CHWSQXEVSA-N 415.475 0.046 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 460693983 XYZQCXVWNZODCL-MRXNPFEDSA-N 416.445 1.176 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 464957122 WHDFGXVSJVDDAL-NWDGAFQWSA-N 411.388 0.732 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@](C)(O)CN1CCOCC1 467510480 KQHSXFMTCQGDIC-HXUWFJFHSA-N 400.483 0.350 30 20 HCED N#C[C@H]1N(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[C@]12CCCCO2 468664399 ZFJDSUADVRNWBQ-CRAIPNDOSA-N 406.464 0.726 30 20 HCED CN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O 473564387 BLZGCKBLMPGSME-AWEZNQCLSA-N 403.826 0.469 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)COc2ccc(F)cc2F)CC1 476395939 XZMSBAHGRYIQJI-AWEZNQCLSA-N 424.448 0.295 30 20 HCED CSc1nc(C2CC2)cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C#N 479101225 RJIMPNYQYWWVRP-GFCCVEGCSA-N 422.532 0.976 30 20 HCED C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CN1CCN(C)CC1 482185445 ZVPULSVMIXHYEZ-HOTGVXAUSA-N 407.540 0.225 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cn1C 482351133 NZJYFQGHCFYVKZ-UHFFFAOYSA-N 403.464 0.512 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CC1 491257703 FAFKQMHRGPMAOJ-UHFFFAOYSA-N 417.466 0.039 30 20 HCED CS(=O)(=O)Nc1cncc(C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c1 502593735 FEQFXRNGADZQMC-ORAYPTAESA-N 411.443 0.939 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](S(C)(=O)=O)CC3)CC2)o1 502824722 HZCHLXLCCJEUEQ-HNNXBMFYSA-N 409.512 0.402 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccoc3CC(N)=O)CC2)cc1 505242388 KJRGJYBDTXBNJU-UHFFFAOYSA-N 402.432 0.326 30 20 HCED C=CCNC(=O)CN1CCN(Cc2ccccc2S(=O)(=O)N2CCOCC2)CC1 506284342 VPNOSOPCZOZLHT-UHFFFAOYSA-N 422.551 0.127 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 507686004 WDKXZJSJTWHBHS-QGZVFWFLSA-N 401.511 0.333 30 20 HCED C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508840178 JUXGHMJMZNQYGF-UHFFFAOYSA-N 423.481 0.687 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(=O)NC)CC1 508846948 INLOTQJPDQKQJD-UHFFFAOYSA-N 418.527 0.886 30 20 HCED CC(C)(C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 512919041 WPWSIIBBEUXDCH-UHFFFAOYSA-N 405.480 0.747 30 20 HCED CCO[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C12CCC2 513482279 FIJTTYIHLYCAMK-IAGOWNOFSA-N 414.510 0.713 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)nc2n(C)c1=O 515746227 NKZHAMBNACSRMA-SFHVURJKSA-N 418.457 0.655 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OC)c1=O 523743256 HBPIPBJXMXYKDT-UHFFFAOYSA-N 413.499 0.737 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1F 524749186 HNDWRYHKPIPHCM-UHFFFAOYSA-N 412.377 0.891 30 20 HCED Cc1ccc(-n2nc(CCCNS(=O)(=O)N3CCOCC3)c(C#N)c2N)cc1 530729421 LBFKVHQCAXUHLC-UHFFFAOYSA-N 404.496 0.734 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)cc(F)c2)c1=O 535917974 IZMMSZJSTMUTFR-UHFFFAOYSA-N 407.442 0.864 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)Cn3c(N)nc(C#N)c3C#N)CC2)cc1 537428820 MOGYJCGNGLHSBC-KRWDZBQOSA-N 404.434 0.626 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2cccc(C#N)c2)cc1S(N)(=O)=O 537668201 CQTYAAJBOMCJBW-UHFFFAOYSA-N 402.432 0.512 30 20 HCED N#C[C@@H]1CSCCN1C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 538229017 FXLSLNAIOGLXFJ-GFCCVEGCSA-N 401.535 0.779 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1 540305174 HQLSFRRHDUIDOK-AAEUAGOBSA-N 410.500 0.282 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O 543956630 KQRSIEJMALGEGG-PXAZEXFGSA-N 416.434 0.896 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@]12CCCO2 544757168 KKYNQSLSRLRJQX-CSODHUTKSA-N 424.461 0.979 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCCN(C)C1CCCCC1 550711014 OTJFVQAYAFNXLE-UHFFFAOYSA-N 403.531 1.025 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C 553401336 JQDOYWWQXHJNAP-YQQAZPJKSA-N 406.508 0.547 30 20 HCED C[C@@](O)(CNS(=O)(=O)c1cccc(Br)c1C#N)CN1CCOCC1 553503089 LFCQUZUOAQJQGI-OAHLLOKOSA-N 418.313 0.682 30 20 HCED CCN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1=O 554149897 DSRPXNCFVFNCDZ-HNNXBMFYSA-N 401.442 0.473 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCc4ncsc4C3)C2=O)cc1 575087633 DIIWNZKWZHMXOE-MRXNPFEDSA-N 409.471 0.817 30 20 HCED CCCCNC(=O)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 575911608 NPJQYBZDULFSPD-MRXNPFEDSA-N 406.508 0.991 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 577665351 ODDAKWMJXDJNHO-UHFFFAOYSA-N 407.477 0.112 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2cccc(C)c2C#N)cc1S(N)(=O)=O 579879975 CFWMEUKVKJKBIC-UHFFFAOYSA-N 402.432 0.778 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCC(C#N)CC2)cc1 581093211 HGQXLZWPSDMOQV-UHFFFAOYSA-N 406.508 0.999 30 20 HCED Cc1nc(C2(NC(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CCCC2)no1 583623288 BRDIPHWFLAZKIN-UHFFFAOYSA-N 420.433 1.414 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 583669646 MYQIEJDAIHNIHL-UHFFFAOYSA-N 415.479 0.158 30 20 HCED COCCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589392764 LZOAHMPFDJYJEA-UHFFFAOYSA-N 411.480 0.653 30 20 HCED CC(C)(C)NC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589490065 DUOMJFVBOHOZQB-UHFFFAOYSA-N 407.496 0.489 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2-n2cncn2)CC1 590284858 RPLVVLWQQMOPSB-UHFFFAOYSA-N 402.418 0.821 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 590420961 UFDYOLUMFOQRAK-OAHLLOKOSA-N 411.505 0.216 30 20 HCED N#Cc1nnc2ccccc2c1NC1CCN(S(=O)(=O)N2CCOCC2)CC1 610131259 FNEDATGQQWBSNN-UHFFFAOYSA-N 402.480 0.955 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 611864384 UWNHDWAKHBWULM-UHFFFAOYSA-N 419.511 0.888 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)C)cc1 616864084 HOHPIWDYKDXEFV-UHFFFAOYSA-N 410.496 0.415 30 20 HCED C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](CNS(C)(=O)=O)C2)C1=O 725768291 YJMGFZBEYHSIQO-DNVCBOLYSA-N 419.507 0.544 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 728533524 MEBYLGNEKLYFGT-HXUWFJFHSA-N 410.518 0.361 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1 732779924 NYOIHHXFYARAKD-AWEZNQCLSA-N 417.409 0.833 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1 733149908 XTHRVUNUILZYNE-UHFFFAOYSA-N 405.520 0.766 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)/N=C1/NS(=O)(=O)c2ccccc21 742599848 ZLKANNNBOVCLLC-QLFBSQMISA-N 406.508 0.483 30 20 HCED COc1cc(C(=O)OCC(=O)N(C)C(C)(C)C#N)cc(NS(C)(=O)=O)c1OC 745536846 HKLQTPZUJCTTKR-UHFFFAOYSA-N 413.452 0.993 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 746108365 QGFQTHNDZIICOB-ZCXUNETKSA-N 404.448 0.982 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1 747278818 QTIOZYSQNXAMFC-UHFFFAOYSA-N 408.480 0.603 30 20 HCED C[C@H](CC(=O)OCCn1cnc([N+](=O)[O-])n1)/N=C1/NS(=O)(=O)c2ccccc21 749080150 RCCFONYRQNAESC-SNVBAGLBSA-N 408.396 0.247 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 749520524 IOLYIXLXKLZIBV-CYBMUJFWSA-N 400.439 0.845 30 20 HCED COC(=O)c1cc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c[nH]1 753166121 ADVKGNCSNVHUFS-UHFFFAOYSA-N 406.468 0.578 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)C1 755533657 CMUBLBFEUPIDEY-NWDGAFQWSA-N 405.459 0.847 30 20 HCED CC1(C)NC(=O)N(CCCON=C(N)c2ccc(CN3CCOCC3)cc2)C1=O 758418368 HQVAWVPPJKNBCJ-UHFFFAOYSA-N 403.483 0.876 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)C1 758604924 OMCLTUCIQIFZTN-RDBSUJKOSA-N 415.516 0.326 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758757606 GPKSMTBXAXBNAM-OLZOCXBDSA-N 403.505 0.374 30 20 HCED CC(C)N1CCC(O)(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 760893933 JSKRBYOEENBASJ-OAHLLOKOSA-N 422.551 0.855 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCOC1 763457811 HVWWOOVWXSDERJ-MRXNPFEDSA-N 414.531 0.560 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCN2CCNC(=O)C2)C1=O 781104440 UTSDPZVENSGRGG-GCPJXVEOSA-N 423.564 0.677 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCC(=O)NC2(C#N)CCC2)CC1 784199823 PWYMFICWCGPXBX-UHFFFAOYSA-N 424.479 0.798 30 20 HCED COC[C@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 784949152 UYFSOCGJVLIBKV-INIZCTEOSA-N 423.491 0.690 30 20 HCED CN1C(=O)CN(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 785304028 FFVSDPNFRUONOH-UHFFFAOYSA-N 401.770 0.261 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786403732 WOSSPVZZJLLUGT-CYBMUJFWSA-N 417.470 0.748 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)[C@H]1CCCO1 787854283 ILEVOTOZABNDRW-PWRODBHTSA-N 412.534 0.778 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1Br 790838723 GFPQIEKQIFWHFT-UHFFFAOYSA-N 415.185 0.326 30 20 HCED C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1nnnn1C1CC1 791229831 WIMHIIOBLNUKKA-MNOVXSKESA-N 403.468 0.703 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F)C(=O)OC 797760886 ANYSECZINRKWJV-HNNXBMFYSA-N 402.444 0.986 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 800914078 SGLPJJCQVOFHGR-UHFFFAOYSA-N 423.922 0.915 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 801283931 UDRVDBVFESMPTF-OAHLLOKOSA-N 424.486 0.841 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2c3c(cc([N+](=O)[O-])c2[N+](=O)[O-])OCCO3)CC1 801748670 ITBGXISWJYDEGT-UHFFFAOYSA-N 418.362 0.876 30 20 HCED CN(C[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1)C(=O)OC(C)(C)C 805058277 OTUYFFBSZXNSDJ-OAHLLOKOSA-N 407.515 0.806 30 20 HCED CNC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 813726791 HFJYGRYFYHDCNZ-HIFRSBDPSA-N 408.480 0.962 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)CNS(=O)(=O)N(C)C)nc1C 816842382 PGNSHHCRAYKSCV-UHFFFAOYSA-N 417.542 0.519 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1nc(C)n(C)c1=O 1003119107 HWTYYJSPODEDRZ-MTSZKFMLSA-N 403.483 0.120 30 20 HCED 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HCRDAIULYGNJAI-WWMYMODYSA-N 408.495 0.709 30 20 HCED Cc1nc(N)sc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1837893477 FBIZFABFNKKKIQ-UHFFFAOYSA-N 420.491 0.734 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)[nH]n3)CCO2)C1 1838661799 UOGJBWQTOXVZAE-JXFKEZNVSA-N 406.483 0.361 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839227669 WVKSUMUIFXPZQL-FZKQIMNGSA-N 410.427 0.251 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)nn3)C2)C1 1839845972 FDTMVKBBJKOKQN-FOIQADDNSA-N 420.466 0.230 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)NC(C)=O)CCO2)C1 1839881430 WKOOHGPVESMULD-CXAGYDPISA-N 403.426 0.179 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839881433 WKOOHGPVESMULD-SUMWQHHRSA-N 403.426 0.179 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cnccc4[nH]3)C2)C1 1840161430 OUYKPKWFQUXJEE-BFUOFWGJSA-N 404.492 0.951 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193946 PXMFDWILXHHOJN-KDOFPFPSSA-N 400.497 0.473 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1840845283 SEQGHGHDCDQKDW-NRFANRHFSA-N 404.438 0.801 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC23CN(C(=O)CC#N)C3)cc1 1841368400 CPMQFCVDKNKHBB-HNNXBMFYSA-N 404.492 0.779 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN(C)C(=O)C(=O)O)C3)c1 1846830804 YVHCQJRFUWGOLY-AWEZNQCLSA-N 412.446 0.674 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CCCNC1=NS(=O)(=O)c2ccccc21)C1CC1 9787716 RZXADTLLMJSNEZ-IBGZPJMESA-N 418.475 0.857 30 20 HCED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C2=O 15151511 YCVZXGCRZNNHTQ-IFXJQAMLSA-N 403.439 0.686 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1=O 410119236 XIOLSZYXJWVBTH-MRXNPFEDSA-N 424.523 0.937 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)cc1 428257082 AXMNXRAHFBSXRM-UHFFFAOYSA-N 406.489 0.957 30 20 HCED N#C[C@H]1N(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC[C@]12CCCCO2 447908554 BRZHFPDQVPZYTO-UYAOXDASSA-N 420.535 0.920 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)c2)nn1 463770803 NEICQJSALCMWTP-UHFFFAOYSA-N 408.378 0.741 30 20 HCED N#Cc1cc(NC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)ccc1Cl 475638265 JEBAMYSJNDLARQ-UHFFFAOYSA-N 416.825 0.844 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 480110412 QGZFFYAWTIGEOU-CQSZACIVSA-N 406.508 0.942 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](C(N)=O)Cc2ccccc21 481546308 RCCYCAOQBGJTQP-CZUORRHYSA-N 412.471 0.916 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 483590353 IYQYWAIELWYAHP-DOMZBBRYSA-N 414.509 0.918 30 20 HCED Cn1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O 486612243 PKBHARUKKLAXEG-HNNXBMFYSA-N 401.448 0.075 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCOC3)n(Cc3ccon3)c2=O)nc1 489025782 ITASNSOUNFIGIB-CQSZACIVSA-N 422.466 0.758 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CCN(C)C)cc2)CC1 491260112 TZYIWLBHAYZOML-UHFFFAOYSA-N 401.511 0.176 30 20 HCED C[C@@H]1OCC[C@@]1(C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494258221 YHSIOBSUYVGIKB-HNAYVOBHSA-N 406.508 0.548 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508363629 OHSXXEIKSMYTDI-UHFFFAOYSA-N 407.434 0.719 30 20 HCED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 508887416 IOXYLFJQFBFXFU-UHFFFAOYSA-N 409.494 0.887 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCc2ccc(F)c(F)c2)CC1 512329937 SBWPZQVEZINFMF-UHFFFAOYSA-N 422.476 0.850 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)cc1 514902730 MZDFNWLLMYZQAZ-UHFFFAOYSA-N 423.472 0.742 30 20 HCED CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 517327342 HQAQLYMLUAZYEL-QGZVFWFLSA-N 401.467 0.448 30 20 HCED CC1(C)C(=O)NC(=O)N1CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 522846905 YUNIVPZDAIJXFD-UHFFFAOYSA-N 409.450 0.705 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)O1 537130925 HADLLXLJDTZANG-HOCLYGCPSA-N 408.480 0.244 30 20 HCED CCNS(=O)(=O)c1ccc(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 540967411 UVBYMPFYXMKHCB-UHFFFAOYSA-N 419.511 0.936 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@H]3CCOC3)CC2)n1 546206436 QSALXLWDPNLEDD-OAHLLOKOSA-N 409.450 0.474 30 20 HCED C[C@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 550585968 YNLKMGFTMORPMV-INIZCTEOSA-N 407.478 0.464 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1nnc2n1CCCCC2 550709243 MPUWVRLDTJBHRD-OAHLLOKOSA-N 422.493 0.797 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCCn3ccnc3)C2=O)cc1 551638089 DADFLIOLADGQGP-SFHVURJKSA-N 408.462 0.568 30 20 HCED CCNC(=O)COc1ccc(CNC(=O)C(=O)N2CCC(C#N)CC2)cc1OC 555981151 BMCRBLKPCFKSKK-UHFFFAOYSA-N 402.451 0.588 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCCCN2CCC[C@@H]2CO)n1 558525849 GGFJJISNRZJNFS-OAHLLOKOSA-N 411.466 0.431 30 20 HCED COC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCO1 561703308 ACRGRFDASNGSRH-SQNIBIBYSA-N 414.462 0.480 30 20 HCED COCCNC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 573617202 WRWGSQFPWGRSMU-UHFFFAOYSA-N 416.459 0.851 30 20 HCED Cn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(O)nc1=O 603874514 DGXQIYKSEPSFMI-UHFFFAOYSA-N 411.397 0.627 30 20 HCED COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cnn(C)c2)cc(OC)c1OC 609007654 GFRXIFSSRPZFSL-ZDUSSCGKSA-N 423.451 0.105 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 611293670 APTOZAJJXSYEGM-MRXNPFEDSA-N 406.512 0.645 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C(=O)NCCOC)CC2)cc1 618596627 BNGOYAPABSPLIU-UHFFFAOYSA-N 416.478 0.542 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C)c1=O 619856001 VCMGRDTZMTUXDZ-UHFFFAOYSA-N 415.519 0.242 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1=O 623229413 OMAVGLOHOJHBBV-GFCCVEGCSA-N 406.389 0.884 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCCNc2ccc(C#N)cn2)C1 728946942 VHRUFCUEHHWXTI-INIZCTEOSA-N 416.482 0.808 30 20 HCED COc1cccc([C@H](C#N)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1OC 729428199 AXRNRNPIXQBKAJ-AWEZNQCLSA-N 409.402 0.644 30 20 HCED N#CCOc1ccc(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 732247633 OPDIBIQIPVPUOT-QGZVFWFLSA-N 410.496 0.877 30 20 HCED CC(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741096812 AIWHQJNUXOCAEY-UFPHYQGISA-N 410.496 0.571 30 20 HCED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 743934466 XZJAVGAFPPZKRP-UHFFFAOYSA-N 405.379 0.276 30 20 HCED CC(C)N(C)S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 744112939 MOLQEPIVUJQOKT-LLVKDONJSA-N 402.498 0.205 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCO)s1 745146546 ROWVPYXGYRHMCW-BZNIZROVSA-N 417.509 0.618 30 20 HCED CN1CCN(C(=O)c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 746158205 SRLMVXSTQJFXIR-FMQUCBEESA-N 411.462 0.929 30 20 HCED CCCCCNC(=O)[C@H](C#N)C(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 750312806 SRKVOAYXZAUJJJ-OAHLLOKOSA-N 409.454 0.880 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CCCCNC(N)=O)c1 754787252 VGPAZDSKALKSHV-UHFFFAOYSA-N 403.258 0.964 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757589083 FMAOQCCANJWPCL-OCCSQVGLSA-N 400.439 0.749 30 20 HCED C#CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn(CCOC)c2)c1=O 758075872 MTJLLVNDJYSCRJ-UHFFFAOYSA-N 418.478 0.772 30 20 HCED C[C@H](OC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CCC#N 758095513 XMJBVQVWAOFJJZ-FZMZJTMJSA-N 417.871 0.283 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cccnc2C#N)cc1 758124841 JBVMXGOYDBBXEH-UHFFFAOYSA-N 423.472 0.520 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2sccc2Br)c1=O 764994313 JZHQLGNLWYLHNF-UHFFFAOYSA-N 408.302 0.616 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)N2CCOCC2)c1 765058026 VFJRRGCEFQEXDD-BMRADRMJSA-N 402.498 0.488 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2cc(F)cc(Cl)c2)c1=O 776755160 MWDOJEWLNQEEPR-UHFFFAOYSA-N 411.867 0.774 30 20 HCED CC(C)Cn1c(N)c(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c(=O)n(C)c1=O 780215456 SBYDZTSISKXSRQ-INIZCTEOSA-N 414.418 0.116 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 784924230 HHCCYCWYDQOKAU-UHFFFAOYSA-N 421.450 0.270 30 20 HCED CN1CC[C@H](C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 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CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1831498063 ISFIQNOIYGRVMB-BAPGRXHISA-N 412.552 0.965 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn(C)c3)CCO2)C1 1834173478 CNVKEMJOWCAHHK-HNAYVOBHSA-N 407.471 0.291 30 20 HCED Cc1oncc1C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1834316324 ORNKBCVXNGNRHZ-JLDPKJTDSA-N 419.482 0.525 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3conc3C)CCO2)C1 1834337995 KMBFJTDEXMMQAU-OXQOHEQNSA-N 407.467 0.626 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)COc3cccnn3)CC2)CC1 1834607488 RZFWVPFMTFVOGH-UHFFFAOYSA-N 400.483 0.731 30 20 HCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1834716298 SAURHJUFQCVWQW-UWUNEBHHSA-N 419.570 0.611 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NO3)C2)C1 1834755424 BISJNXNVYMKZGM-GHTZIAJQSA-N 412.446 0.550 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cnccn3)C2)C1 1835097204 WIJKVUQDODXXMR-QFIPXVFZSA-N 406.442 0.598 30 20 HCED C[C@H](C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1)[C@H]1SC(=N)NC1=O 1835112669 UGYLHOSIDKMBPV-BLLLJJGKSA-N 420.539 0.274 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCCn4ccnc4)C3)C2)CC1 1835347918 JPIYBILYQGWAQN-HXUWFJFHSA-N 401.467 0.423 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835531149 OVJBJTGLOXQCRS-IIBYNOLFSA-N 400.479 0.417 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnn(C)c1)CCO2 1835991039 LAGFUUHEUIBQHW-NRFANRHFSA-N 402.495 0.613 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1csc(Br)n1)CCO2 1836565857 OUGVFBQAWMDEDG-OAHLLOKOSA-N 414.281 0.609 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC=CO1)CCO2 1837416055 WMLZVOMZMIQTFB-HLIPFELVSA-N 409.483 0.936 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560486 XXTGHDHDQSNOEB-MTPZKLCPSA-N 407.467 0.172 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(=O)CCC)CCO2 1837679348 IUBLJQHPLLLOJK-UWJYYQICSA-N 407.511 0.551 30 20 HCED CCNC(=S)NCC(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837794834 CKPXHDCHWIOQFS-UHFFFAOYSA-N 409.556 0.773 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)CC2)CC1 1838272535 DWFDIPQILOZHCZ-UHFFFAOYSA-N 424.501 0.972 30 20 HCED Cc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)cn1 1838734981 RFLFBXZQWSHZRB-HXUWFJFHSA-N 410.434 0.369 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)cc1 1838951816 JTONIZLDJMICQR-HXUWFJFHSA-N 412.402 0.636 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)on3)C2)C1 1839228960 VARMWTSVEFRJLF-OXQOHEQNSA-N 422.482 0.783 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839446227 JQTYAGHZQSSCSB-VFNWGFHPSA-N 420.462 0.759 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-c3ccc(O)nn3)cc1)CCO2 1839470239 GROMEJQTCUMOOC-QFIPXVFZSA-N 422.441 0.552 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1840403962 WMGJIQOFYUXMSN-UZLBHIALSA-N 401.467 0.513 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)nc4ncccn34)C2)C1 1840842256 XZSUZTHNXFTHJH-OAQYLSRUSA-N 411.462 0.521 30 20 HCED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc4n(n3)CCNC4=O)C2)cc1 1842562264 JJAJEWBEZCTNEU-UHFFFAOYSA-N 418.457 0.558 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843353530 ANFDNVHENDYOCI-UHFFFAOYSA-N 409.402 0.655 30 20 HCED CC(=O)N[C@@](C)(C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)c1ccccc1F 1846196606 SKCOCMCJQPQEQJ-HXUWFJFHSA-N 415.421 0.468 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1 1846461788 LKXXKYPYCGFMTA-UHFFFAOYSA-N 408.414 0.065 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)CC#N)C3)CC1 1846969142 UTEKQJDWELQGHU-UHFFFAOYSA-N 405.499 0.656 30 20 HCED CC(C)N(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)C(=O)OC(C)(C)C 1847331276 RXXGBXADAHJIDS-GJZGRUSLSA-N 407.467 0.922 30 20 HCED O=C1CNC(=O)N1CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1 1847474171 XORFKURIXRSZJV-HOTGVXAUSA-N 414.849 0.445 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1c(=O)n(C)c2ccccc21 1847801954 BJHUMWDGACRURZ-SNRMKQJTSA-N 410.474 0.580 30 20 HCED C#CCNC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 19053289 RSKFFAHZQJGZFO-SFHVURJKSA-N 424.475 0.443 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccccc2Br)c1=O 25521527 YMVIRYSQPUJVTR-UHFFFAOYSA-N 421.251 0.945 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O 29464114 FPLMURXYWCZLDR-UHFFFAOYSA-N 402.407 0.200 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2cccc[n+]2[O-])CC1 115213182 CVHNPYIVQGRQOY-UHFFFAOYSA-N 418.500 0.817 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 410402430 SOBYHXDUSYSGIN-IBGZPJMESA-N 410.540 0.662 30 20 HCED CC(C)NS(=O)(=O)NCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410421138 ROTWZJIYJJJJLJ-UHFFFAOYSA-N 414.431 0.688 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(C)C)C(=O)[C@H]3C)CC2)o1 426216415 MWXZKUWTFSAWSB-OAHLLOKOSA-N 402.499 0.692 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3OC(F)F)CC2)c1C#N 430809935 SEPBXWMRTASNCH-HUUCEWRRSA-N 424.452 0.915 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCC[C@@H]2CN2CCOCC2)cn1 439362821 VHZLJNNPWHOZOM-GOSISDBHSA-N 423.477 0.791 30 20 HCED CCN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 441805704 YERHKAFHEKCFBW-LBPRGKRZSA-N 410.356 1.158 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 442406616 MBHYYPSKRZZLEH-UHFFFAOYSA-N 403.420 0.159 30 20 HCED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442519432 YMIAWXJJTOWXCL-IUODEOHRSA-N 417.853 1.334 30 20 HCED C[C@@H](O)CN(C)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 444349619 FFXJBCHNTPZYSP-OAHLLOKOSA-N 408.524 0.482 30 20 HCED Cc1cc(NC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)nn1CCC#N 445164879 QSBUJOIVWWJDAM-UHFFFAOYSA-N 400.405 1.434 30 20 HCED COC(=O)c1c(C)cccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446523364 PZVLNYOOTHEIMF-UHFFFAOYSA-N 402.451 0.795 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc(N2CCC2=O)c1 448301947 JUTQHMHKSCFDIA-AWEZNQCLSA-N 419.445 0.761 30 20 HCED N#CCN1CCC(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 461713927 VSGILGVVECIYLX-UHFFFAOYSA-N 406.508 0.673 30 20 HCED CS(=O)(=O)Cc1nc(=NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)o[nH]1 462282993 ZJGZMELCFHJYES-UHFFFAOYSA-N 405.436 0.983 30 20 HCED CCO[C@@H]1C[C@@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1(C)C 476862041 UQLOUOIKTWPPAG-URKNILKWSA-N 409.508 0.907 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482499156 DDRWNABMDLVYRY-HUUCEWRRSA-N 422.507 0.321 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)nc1 489760759 RAYTYJIWTNMCAT-HNNXBMFYSA-N 416.463 0.489 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCO1 490526215 GUOHKCJAACBYMN-MFKMUULPSA-N 408.249 0.680 30 20 HCED Cc1cc(=NC(=O)C(=O)NCCCN=c2ccc(C(F)(F)F)c[nH]2)[nH]n1CCC#N 504503655 UEXUGCJYHKNQIX-UHFFFAOYSA-N 423.399 0.920 30 20 HCED CN(CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 508119349 LMOSLXCOJPUXTR-SJORKVTESA-N 404.492 0.289 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 509662325 AULVPAMMNLJLOM-UHFFFAOYSA-N 410.471 0.949 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 511513134 FKZBNHKBVVWGBC-UHFFFAOYSA-N 406.446 0.990 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(c3ccnn3CCO)CC2)CC1 512432866 IUHXGKFRUWCUAQ-HXUWFJFHSA-N 402.543 0.747 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)(C)CN(C)C 524282949 UUASTIAQYCDHRY-UHFFFAOYSA-N 415.563 0.959 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 531722046 ALTODWZKZUSOBN-DZGCQCFKSA-N 422.507 0.592 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 533343685 XXNUXSLGHBRUFU-LJQANCHMSA-N 409.471 0.963 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)c1 540323482 HPGPMGUOKHZTPA-HNNXBMFYSA-N 409.508 0.860 30 20 HCED CCn1nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)c2ccccc21 545313614 KCBLLMXSZBGFOI-UHFFFAOYSA-N 423.498 0.493 30 20 HCED COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)CCC2 546068243 WPTSQDLWDUOFEU-HNNXBMFYSA-N 413.482 1.485 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)ccc1Br 550992721 LAABRMOZWZETON-UHFFFAOYSA-N 405.212 0.529 30 20 HCED C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)NCCn1cnc(C#N)n1 553965608 CXYUADUEDLXGCN-ZDUSSCGKSA-N 410.438 0.555 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]3CCN(CC(F)(F)F)C3)CC2)c1 556241690 LFHCSLOTMNIBID-OAHLLOKOSA-N 424.427 0.602 30 20 HCED CNC(=O)COc1cccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1 557359008 BFYBOHYAODFPCK-UHFFFAOYSA-N 412.450 0.889 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@H](n4cc(Cl)cn4)C3)n2)cc1 558548048 DTKIGMSPAHFARR-INIZCTEOSA-N 424.852 1.460 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(OCCN(C)C)c2)C1=O 559685498 FHZMHKYPMAZMHN-GOSISDBHSA-N 402.495 0.489 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 560053795 XPGFFNNUUGJYCW-KRWDZBQOSA-N 418.457 0.844 30 20 HCED COC(=O)c1cn(CCNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)nn1 560084800 JKOYNIIIUIMMBM-UHFFFAOYSA-N 411.466 0.854 30 20 HCED N#CC1CCN(C(=O)C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CC1 561276240 SWCLJEPDZZTPNM-LJQANCHMSA-N 411.506 0.762 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H](CO)O1 561786353 XCHCRKZODUYOME-KBMXLJTQSA-N 404.442 0.391 30 20 HCED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 562036785 OJWDWBAIQUTKMT-GJZGRUSLSA-N 411.470 0.705 30 20 HCED Cn1c(SCCOCCN2C(=O)c3ccccc3C2=O)c(C#N)c(=O)n(C)c1=O 569219415 LWKHFRZFVMVPGM-UHFFFAOYSA-N 414.443 0.361 30 20 HCED C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C[C@@H](C)O2 570860760 CBQZPLPRJHXDEQ-LAPQFRIASA-N 410.434 0.872 30 20 HCED Cc1nnc([C@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 575211368 NRTLWJLVWXPBSR-NHYWBVRUSA-N 412.475 0.813 30 20 HCED Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccnn3C)c(=O)n2CC(N)=O)cc1C 575899014 OOMPJILLABRAGR-UHFFFAOYSA-N 421.482 0.131 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cc1 588868269 BMBMVEUVVDUQMN-RTBURBONSA-N 409.490 0.472 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccnn1C 589213047 QBWQQFYEKCBYQS-KRWDZBQOSA-N 409.494 0.891 30 20 HCED CN(CC(=O)N1CCC(CN2CCOCC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 603696441 ONRYKPAVTWNDPI-UHFFFAOYSA-N 420.535 0.750 30 20 HCED C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 610406307 OWXRMQJLTPVJGK-PBHICJAKSA-N 408.466 0.712 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 611373064 ASYRQYFQKFHCTF-MOPGFXCFSA-N 404.559 0.093 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1 729256762 HJDKLKDEDIAEKB-KRWDZBQOSA-N 412.490 0.332 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)cc1 731481069 OIWJSTAIOROFBM-UHFFFAOYSA-N 420.535 0.271 30 20 HCED CN(C)S(=O)(=O)c1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732414280 HNYMTOJBQINZIC-FOCLMDBBSA-N 407.452 0.585 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(CCOc2ccccc2)CC1 732466948 UERRKVYYNWYXFM-FMQUCBEESA-N 413.478 0.919 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)COc1ccc(F)c(F)c1 732467696 WVHLHWJEPBDBBV-JCNXWTJJSA-N 410.377 0.530 30 20 HCED COCCS(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 732520690 DZXWXOGXUUWKGR-CYBMUJFWSA-N 417.509 0.232 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=S)NCCNS(C)(=O)=O)ccc1OC 733209217 RKUQPBXLIWTTGX-ZDUSSCGKSA-N 400.526 0.889 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 733260184 XKRSSDFIGZKGFE-UHFFFAOYSA-N 422.327 0.807 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN([C@H](C)CC(=O)OC)CC1 746809432 FDEQKIXFGKEFEH-CQSZACIVSA-N 405.426 0.872 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2sc(C(=O)OC)cc2OC)CC1 749106860 VKKMHBIYDDEZPX-UHFFFAOYSA-N 400.478 0.693 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)C1=O 751656083 FYKVTDATNUCVMD-LLVKDONJSA-N 402.388 0.245 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 755553632 RFFQWGOEYKISTK-STQMWFEESA-N 401.427 0.611 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 756226372 HSJOJRHWVKQELB-AWEZNQCLSA-N 410.496 0.019 30 20 HCED Cn1cnn(-c2ccc(NC(=O)C(=O)NCc3ccc(OCC#N)cc3)cc2)c1=O 771197408 QBNMUSDQZJDEFA-UHFFFAOYSA-N 406.402 0.728 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1 774239019 GFZVXKLZOCWFNX-LLVKDONJSA-N 413.456 0.143 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCN2CCNC(=O)C2)C1=O 781104443 UTSDPZVENSGRGG-OMVUSHGRSA-N 423.564 0.677 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 781833026 JEFNMBKDGBHSBU-UFPHYQGISA-N 423.495 0.478 30 20 HCED C#CCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 781993687 RFPTWJLYAAYRSH-HIFRSBDPSA-N 402.925 0.947 30 20 HCED CSCCn1c(=C(C#N)C#N)sc(=Cc2cc(Br)nn2C)c1=O 782784490 WMFUZQQYONDVFD-UHFFFAOYSA-N 410.322 0.795 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(CCN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 783478477 CWCMHPCYLRMXME-LJQANCHMSA-N 417.531 0.912 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)(C)O 784063039 ZHHALVTYMOOJOZ-DMJQWXIHSA-N 410.496 0.714 30 20 HCED C#C[C@H](CCC)NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 792449990 NTDCGVDTTIGUJC-QGZVFWFLSA-N 400.479 0.605 30 20 HCED COc1c(NC(=O)C(=O)NCCNc2ncccc2C#N)cc(Cl)cc1C(N)=O 792969688 HFMIVRGZXSATJZ-UHFFFAOYSA-N 416.825 0.881 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(F)F)cc2)c1=O 794647623 RPEGELGVSZCWKX-UHFFFAOYSA-N 417.437 0.746 30 20 HCED Cc1nccnc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 799427441 FRYAMXGYNLCWGU-UHFFFAOYSA-N 414.491 0.562 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 800076628 XVJSJAKZPAOKPQ-SNVBAGLBSA-N 406.452 0.616 30 20 HCED C=C[C@](C)(O)CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 810874427 PRLFANVSDNNKJI-INIZCTEOSA-N 420.509 0.234 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc4nn[nH]c4c3)CC2)o1 821589046 UZGHCOBGITZKPV-UHFFFAOYSA-N 415.435 0.848 30 20 HCED O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)NO 916666742 BRIASZUSGQSNKB-UHFFFAOYSA-N 405.414 0.962 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 917102326 TYQXMQZUXPFVGP-ZFWWWQNUSA-N 417.491 0.915 30 20 HCED Cc1nsc(N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)c1C#N 1043837650 SNAHQGVCLUAHLS-XSIBGMEISA-N 404.492 0.791 30 20 HCED N#C[C@H]1CN(C(=O)c2cc(Br)c(C(=O)N3CCO[C@@H](C#N)C3)o2)CCO1 1321469111 CZERSLFSEQRRHF-QWRGUYRKSA-N 423.223 0.771 30 20 HCED C[C@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)S(=O)(=O)C1CCOCC1 1322072498 FHKQFLKRVKVKLI-GFCCVEGCSA-N 400.478 0.487 30 20 HCED C=C(Cl)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1359144456 JBETYSZABGKNJJ-UHFFFAOYSA-N 424.914 0.884 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 1475479009 UYYLOVIJPXDIEH-ZACQAIPSSA-N 401.577 0.880 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CCO1 1503773017 QFTLIJQGTVBVBI-SFHVURJKSA-N 420.477 0.973 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCCC2)CCO1 1505323182 VVTLKGHVPIRRCO-JKSUJKDBSA-N 423.539 0.994 30 20 HCED CNC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1517594106 MKSMDYVAXDMEPU-KRWDZBQOSA-N 406.450 0.996 30 20 HCED N#Cc1cn(CCC(=O)NC[C@@H](O)c2cccc(Br)c2)c(=O)nc1O 1633687634 WXAACHUTFMLZCE-CYBMUJFWSA-N 407.224 0.823 30 20 HCED N#C[C@@H]1C(CN2CCN(CCS(N)(=O)=O)CC2)=CC(=O)n2c1nc1ccccc12 1653705042 RHUXNNYNLZVAPD-OAHLLOKOSA-N 414.491 0.130 30 20 HCED CS(=O)(=O)N1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1683744148 LSXNLRBFYMMOES-ZDUSSCGKSA-N 408.484 0.289 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1698061045 OXWLHGMOEQRXBQ-HNNXBMFYSA-N 421.527 0.921 30 20 HCED Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)n1 1729588984 RYYVFRWMVWCUNA-HNNXBMFYSA-N 412.479 0.617 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1749831156 WXVIKFNYEBIBFN-ZIAGYGMSSA-N 410.500 0.030 30 20 HCED N[C@@H](Cc1cscn1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1777965948 UXGCJHJELHBWRX-WAOWUJCRSA-N 416.547 0.940 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1778966886 ABWAUQBMSFGURW-JTSKRJEESA-N 421.538 0.792 30 20 HCED Cn1cncc1C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062152 GCWNXJMBPCBZNN-OAQYLSRUSA-N 400.479 0.562 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@@]2(C1)CN(C(=O)c1cnn3ncccc13)CCO2 1779137358 WJKMQHJLJKTYKO-FFCJBUTOSA-N 422.445 0.885 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CS(C)(=O)=O)C2 1779333033 SXMQVBVKAMAJHM-SPYBWZPUSA-N 416.540 0.118 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779678249 SBQBZWBAPNQBKQ-RATOZQLNSA-N 408.411 0.353 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2 1781266834 AVRCBCORHVKPNW-HXUWFJFHSA-N 402.451 0.738 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)C=CC1=O)C2 1781745010 KATRFBREVBGCOG-WHSLLNHNSA-N 403.479 0.638 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CNC(=O)C4)C3)C2)c1 1783166478 HFTDEEOFTNBKNS-FXCLAUTBSA-N 410.474 0.893 30 20 HCED Cn1ncnc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(C#N)cc3)[C@H]2C1 1783439913 FIQNCODWDHOFIZ-FHWLQOOXSA-N 422.489 0.913 30 20 HCED CC(C)(C)OC(=O)CCCC(=O)N1CCO[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783557391 GPDZXPZYPOTJNR-HXUWFJFHSA-N 408.451 0.416 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3c(Br)cnn3C)CCO2)C1 1783893833 ONLZNDIEVJDJKU-MEBBXXQBSA-N 417.329 0.944 30 20 HCED N#Cc1cccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)c4nc[nH]n4)C[C@@H]32)c1 1783912406 MWQYCYIAFBVFDG-BZSNNMDCSA-N 408.462 0.902 30 20 HCED C#CCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)CNC(=O)C(F)(F)F)CCO2 1784202693 MEMFSZXMBMZVEB-QGZVFWFLSA-N 403.401 0.688 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]nc4ccncc34)C[C@@H]21 1784482608 ROINTACJXZSWAX-OAOQPFQOSA-N 411.462 0.590 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784645980 LYELTJXNTMVHGL-MGPUTAFESA-N 404.467 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CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 441004032 ZBCBXYAKWZMISG-OAQYLSRUSA-N 422.485 0.571 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 441894155 NCZMOENJOVMHMO-LLVKDONJSA-N 404.370 0.666 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 442237432 OMXAQGRSSYUOPT-UHFFFAOYSA-N 418.460 0.848 30 20 HCED Cn1c(=O)c2cc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)cnc2n(C)c1=O 446424586 MDRNTFHHFKAGRM-UHFFFAOYSA-N 410.390 0.106 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN[C@H](CO)[C@H]2CCCO2)CC1 447914350 OZGWZCBCLFVRDT-HZPDHXFCSA-N 415.450 0.584 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 464624972 RRAFSCZCVKJCSP-MJGOQNOKSA-N 420.535 0.748 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 470396466 FDYJVCUAIPUZRG-AQNXPRMDSA-N 415.490 0.922 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCc1cccc(C(=O)NC2CC2)c1 476051001 NNYYRHGPLWKGJW-UHFFFAOYSA-N 417.491 0.755 30 20 HCED CN1CCN(c2ncc(CN[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2)CC1 486902498 LDRYFPCMJDITEO-HXUWFJFHSA-N 405.506 0.991 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(CC(N)=O)cc3)C2=O)cc1 488593793 JQYFDXLQLFVUJH-GOSISDBHSA-N 419.441 0.442 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)c(F)c3)c(=O)n2C)CC1 489617080 AMZZILINYSBMRB-UHFFFAOYSA-N 418.469 0.392 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)CC1 500076089 UUHPMDMKIRKSLW-UHFFFAOYSA-N 402.517 0.054 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)NCCF 506442255 ABSZXTNGRWBAPC-SNVBAGLBSA-N 406.805 0.926 30 20 HCED CCCn1c(N)c(C(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 507198459 WYZBYMIZUAGZAP-UHFFFAOYSA-N 414.441 0.957 30 20 HCED COC(=O)c1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)sc2c1CCCC2 508329783 GCVXHIAMSDGJDU-UHFFFAOYSA-N 402.436 0.632 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)c2n[nH]c(C)n2)cc1 508987218 LQROFMOETUEKSP-NSHDSACASA-N 406.468 0.736 30 20 HCED N#Cc1ccc(N2CCC(N[C@@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)CC2)cc1 515093310 HEORBGUMWUQPFV-WOJBJXKFSA-N 404.536 0.614 30 20 HCED N#Cc1cc(Br)ccc1CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 516987565 AUYSXMKDALUHAE-HZPDHXFCSA-N 414.325 0.908 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)C1=O 520515779 FKVQUIUFDHBYBB-UHFFFAOYSA-N 413.434 0.776 30 20 HCED Cc1cc(=NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[nH]n1-c1cccc(F)c1 527090165 INABKRQXKYTYHO-UHFFFAOYSA-N 424.440 0.948 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCN1CCN(C)CC1 532449439 UONJYVCPQVOPGZ-INIZCTEOSA-N 407.540 0.369 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1C 534195340 GNKRBKYNNOSAPU-INIZCTEOSA-N 422.445 0.951 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 538528987 LJDRFMRUKHUVHV-UHFFFAOYSA-N 417.285 0.220 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C1=O 540006848 DDFBVTVIEFETHR-JTQLQIEISA-N 406.345 0.163 30 20 HCED COC(=O)C1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 541045492 LIZYMLCUVCMYOF-UHFFFAOYSA-N 409.464 0.578 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 547418030 NHFHSAXUHJABIK-UHFFFAOYSA-N 412.493 0.000 30 20 HCED CN(C)CCNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 547776892 IDMCWZKVCSMFRD-UHFFFAOYSA-N 407.474 0.896 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 552676595 SIKAPFZQMMKFEB-KRWDZBQOSA-N 417.491 0.979 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NC3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 554093892 ZFHUYQXZKPLIKT-TZQQIIETSA-N 424.461 0.479 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cc(F)ccc3F)CC2)c1C#N 554306835 SXPAAGFYMMWESP-UHFFFAOYSA-N 416.432 0.886 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C3CCC3)C2)CC1 554677045 PNAHZUUKYJUZGC-ZWKOTPCHSA-N 419.570 0.202 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 559923572 MRWUNMQIPVHKCK-QGZVFWFLSA-N 419.501 0.867 30 20 HCED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 560296722 CCNYWWLRFXBUQF-UHFFFAOYSA-N 402.451 0.871 30 20 HCED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccccc2)c(=O)n1CC(N)=O 565343998 UJIGIEIBQKULPZ-UHFFFAOYSA-N 407.426 0.920 30 20 HCED CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)c(C#N)cn1CCOC 577374929 XOHPABMKQUTKSY-IBGZPJMESA-N 419.438 0.842 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1=O 577997038 XEYVDBKKKTWHBC-MOPGFXCFSA-N 414.506 0.249 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 579626896 KATWYLXCAOMESM-JSGCOSHPSA-N 404.452 0.033 30 20 HCED CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)c1 584322035 YRKXZOYVVCTPGD-UHFFFAOYSA-N 418.479 1.452 30 20 HCED COCCN(CCC#N)C(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 588631040 JEEFJODMRGJAEE-CVEARBPZSA-N 414.462 0.411 30 20 HCED Cn1cc([C@@H](CNC(=O)c2cccc(C#N)n2)NC(=O)c2cccc(C#N)n2)cn1 589460954 IJNKFVSAJUCXCG-GOSISDBHSA-N 400.402 0.855 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2F)c1=O 603792401 CZMVIPLIGDJUIF-UHFFFAOYSA-N 405.426 0.640 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(=O)N(C)C 604270022 MUGFYCPAASUVSN-UHFFFAOYSA-N 412.515 0.417 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c1cnn2CCO 610859088 MBPRHTIJEXZGRI-DYVFJYSZSA-N 417.491 0.608 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1C#N 610937072 REEGCVFBSNULRO-UHFFFAOYSA-N 423.495 0.235 30 20 HCED CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1C 611092435 UJNNPURNRCQBBK-KRWDZBQOSA-N 419.551 0.417 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 619730616 WUYXLRZSYYYBON-UHFFFAOYSA-N 411.393 0.428 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 685057368 SFPKKKOFQVGMJQ-AEFFLSMTSA-N 421.519 0.940 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 685181601 LCCQOMRNRWZZMH-LSDHHAIUSA-N 418.460 0.918 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2CC)C1=O 726036503 KKERQPRTPUUAIF-UHFFFAOYSA-N 403.391 0.791 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN([C@@H]2CCC[C@@H]2O)CC1 730083328 IJZAANVPIYUZKW-SJORKVTESA-N 420.535 0.563 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733161091 IHSJXRQWOKKNDH-INIZCTEOSA-N 421.567 0.648 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)[C@@H](OCC)C[C@H]3O)c1 741238542 GNHAAXVPKSLUMV-MSOLQXFVSA-N 406.504 0.990 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2scnc2C)c1=O 743725347 QBRMUYJSBKXWSK-UHFFFAOYSA-N 418.544 0.883 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2cc(C#N)c[nH]2)c(N)n(Cc2ccccc2)c1=O 748224040 FFLLATUSMHLYKP-UHFFFAOYSA-N 407.386 0.417 30 20 HCED COCCOCC(=O)NC1CCC(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CC1 749044905 TXSYCCXBDMDDNT-UHFFFAOYSA-N 423.491 0.701 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC)C(=O)C1 756733974 UQIQALHOABCCBA-OAHLLOKOSA-N 406.508 0.975 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cscc2Cl)c1=O 758069245 OBSUIUOUTMNOGC-LLVKDONJSA-N 421.931 0.912 30 20 HCED COC(=O)COc1ccc(C(C)=NO[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 759004033 NIRCTMQTTGKQCS-UKRRQHHQSA-N 412.464 0.671 30 20 HCED C#CCNC(=O)CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 759482505 IWOQCMQDCVKODN-IRXDYDNUSA-N 406.527 0.964 30 20 HCED CCOC(=O)[C@@H]1CSCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 764764761 XZRSCRCDGSETRQ-DOMZBBRYSA-N 411.505 0.732 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)COc1cccc(F)c1 765890662 KWWSYEKETSHBIJ-XJKSGUPXSA-N 421.450 0.920 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)c3nccs3)CC2)c1=O 767483080 OXIMRTMNGZMEAW-OAHLLOKOSA-N 418.523 0.337 30 20 HCED C#CCOc1ccccc1CN1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 769464253 XXVMHMYTYKVFAO-SFHVURJKSA-N 405.520 0.120 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 770681204 ZPKRNNXSOVSTLQ-QAPCUYQASA-N 405.480 0.296 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C1=O 776122689 SPIBKOLYTRINCQ-QGZVFWFLSA-N 408.436 0.212 30 20 HCED Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)c1 786540888 NFMSLFHWZKVIQY-ZDUSSCGKSA-N 408.418 0.629 30 20 HCED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O 787754893 HYHGCACZSCAAMQ-QGZVFWFLSA-N 406.446 0.745 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)c2cc(-c3cccc(C#N)c3)no2)n(C)c1=O 789118129 WFUIFQYRRCIDSX-UHFFFAOYSA-N 420.385 0.817 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)n1 789326613 XLJFNABGNNTRIM-UHFFFAOYSA-N 405.480 0.633 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)CC1 789934228 DGUZHIWNINXMLE-IBGZPJMESA-N 419.547 0.489 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c(C)cnn2C)c1=O 795197644 ONDVBGKLJIVCMS-UHFFFAOYSA-N 403.467 0.727 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1nnn(Cc2cc(C)no2)c1C 797084262 RYBGTCUVIVRGTD-UHFFFAOYSA-N 416.419 0.930 30 20 HCED C#CC[C@]1(C(=O)NCC2(O)CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 803649354 YHZHERZBDXDXJL-LJQANCHMSA-N 414.524 0.835 30 20 HCED CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804657686 IWXWJXYWUFTRNV-ZDUSSCGKSA-N 408.480 0.804 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(CN3CCN(S(C)(=O)=O)CC3)n2)c1 809346393 KKMBSSQTQWBEFU-UHFFFAOYSA-N 403.464 0.177 30 20 HCED C#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 816673353 XDOROJSBRZKXQP-KGLIPLIRSA-N 400.884 0.911 30 20 HCED CCCn1c(=O)nc(O)c2c(C(=O)N[C@H]3CCCN(O)C3=O)cc(C3CC3)nc21 820476096 HMRPBZVUPDRERW-LBPRGKRZSA-N 401.423 0.895 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC(=O)NCCOC)C1=O 914556346 ZBZNNJQVPKCJCW-CYBMUJFWSA-N 414.434 0.795 30 20 HCED CC(=O)NCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918266364 ZFIMMSXQHHGYEA-CJLVFECKSA-N 423.495 0.080 30 20 HCED COC(=O)c1ccc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c(C#N)n1 1163676445 YCWCXDFWIACRGX-UHFFFAOYSA-N 415.475 0.896 30 20 HCED C[C@@H](O)c1cn(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1300414615 ROHVRYIDEIEQGA-CQSZACIVSA-N 406.450 0.942 30 20 HCED N#CCOc1cccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 1339613219 LDBSTCPBQMVEBK-UHFFFAOYSA-N 419.463 0.934 30 20 HCED Cc1nc2ccc(Br)cn2c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1453843344 OHDUFLXZMNSEJH-UHFFFAOYSA-N 417.223 0.969 30 20 HCED CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1515285736 PFJOTWYRZIMRPQ-UHFFFAOYSA-N 410.482 0.756 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1517350397 QHGUDYJBCMQNOP-UHFFFAOYSA-N 400.468 0.589 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3nn(C)cc3C#N)CC2)c1 1524282198 QMULIPOQSSLIFD-UHFFFAOYSA-N 402.480 0.691 30 20 HCED N#Cc1cn(CC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(=O)nc1O 1635761515 XGIWJFJVZPGAOM-NSHDSACASA-N 410.352 0.807 30 20 HCED COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cs1 1712223973 MJYUADTYDRBZRB-ZDUSSCGKSA-N 405.484 0.796 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(O)CCO[C@H]1C 1727603810 UXKHUPDVXCQPIB-MGPUTAFESA-N 414.514 0.621 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2S(C)(=O)=O)o1 1751496211 RUNNSQWFZQAXLD-CABCVRRESA-N 420.495 0.999 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)CCO1 1770747055 LDLWELLEAAYUMK-QGZVFWFLSA-N 417.514 0.090 30 20 HCED O=C(C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1779061048 OPUJTYRBHZIDNL-JOCHJYFZSA-N 414.458 0.991 30 20 HCED Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)co1 1779101664 SKAKYRWPUNKHJL-DDIDFQKISA-N 406.439 0.956 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1779197333 CSWOXIWZGGYRKW-BEFAXECRSA-N 406.508 0.804 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CC[S@@](=O)CC)C1 1779215028 BPDUOIVGINFWCN-VZSYQNRJSA-N 412.552 0.697 30 20 HCED COC(=O)CCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168294 LMWHTSBUDGFOQA-OAQYLSRUSA-N 415.446 0.964 30 20 HCED COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1C 1780435094 RFEQBEGCMRRTFO-IFXJQAMLSA-N 407.471 0.673 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(C)=O)C2 1780741199 MHFXTSKMWIAHMC-DYESRHJHSA-N 423.510 0.536 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1781390081 CREIHEGJEZVYPL-AUUYWEPGSA-N 407.471 0.225 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)c1 1781813848 DGWTVURSQCOUHR-HXUWFJFHSA-N 412.402 0.760 30 20 HCED C[C@@H](C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1)n1cccc1C=O 1782010556 NEUCQFWOLWRZCT-LUQKVYGDSA-N 415.446 0.464 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nc3ccc(C(F)(F)F)cn3n1)CCO2 1783048523 ARDQLFYTVRGDIG-QGZVFWFLSA-N 407.352 0.825 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1783566690 YQONVCKIZMTSAV-IBGZPJMESA-N 400.366 0.005 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cnccn3)C[C@@H]21 1784489515 TVJZQFMWAZSRJR-WDSOQIARSA-N 402.495 0.982 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc[nH]n3)[C@H]2C1 1784683931 YEUOQJLDRKMQEX-BXWFABGCSA-N 409.446 0.954 30 20 HCED COc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C4CC(=O)C4)C3)C2)c(C#N)c1 1785405939 GCFIZPOFCIUYOC-JOCHJYFZSA-N 411.458 0.918 30 20 HCED CC[C@H](C)[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788602362 YVQQIKHBLMXVAQ-IZHAEGTOSA-N 408.543 0.845 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)NC(=O)CCC)[C@H]2C1 1788739780 QTVVSDQQZZOSKK-ATIWLJMLSA-N 407.511 0.309 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21 1788753599 FOSRMLWIDJXOIC-JDSVAZHKSA-N 419.526 0.129 30 20 HCED Cc1ccn2c(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C#CC(=O)O)[C@H]4C3)cnc2c1 1791077616 NTFYVBCEWBJKBR-ZOBUZTSGSA-N 410.430 0.324 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1nnc3ccccc31)C2 1793340413 GHANELUTQYRYNF-IHSNIMORSA-N 411.462 0.059 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794408007 SXCDPFLYLWRPFD-CCWDJLKJSA-N 422.457 0.968 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(CC)on1)C2 1799304124 NTNHFGWHMCNMQF-ZSBFGKGUSA-N 405.451 0.950 30 20 HCED C#CCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)NC(=O)OC(C)(C)C 1799684773 PSPKTBQLBKAISK-KPEUIFRASA-N 409.483 0.223 30 20 HCED C[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1800985665 NBTXPCCYSNHWIS-ZUMXRPEOSA-N 418.519 0.248 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](O)CC)C2 1802125576 ZUWDCTBCMWREKY-NNXHMXCWSA-N 423.510 0.264 30 20 HCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)c3nccnc3C(N)=O)[C@H]2c2cccnc2)CC1 1806850927 DSQUBLYQNOPPHD-PBHICJAKSA-N 419.445 0.594 30 20 HCED C#CCCC(=O)N1CC[C@H](CNC(=O)c2nccnc2C(N)=O)[C@@H]1c1cccnc1 1811193428 JMTHEZQYYPEQFQ-BEFAXECRSA-N 406.446 0.704 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)n2)[nH]n1 1815200125 JZMYUCJXXMLUKW-RISCZKNCSA-N 414.422 0.955 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C[C@@H]2NC(=O)NC2=O)n[nH]1 1815765463 KUQNWARFGXRYHB-KWCYVHTRSA-N 416.438 0.038 30 20 HCED CN(CC(=O)N1CCCC[C@H]1c1cc(NC(=O)C2(C#N)CC2)n[nH]1)C(=O)C(=O)O 1817113270 HRGCQSHCVAZKET-LBPRGKRZSA-N 402.411 0.249 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822205051 XMBQNOFKLORZND-DZGCQCFKSA-N 403.439 0.795 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CC2 1825027492 IYVOGTYPTTXKKC-BXUZGUMPSA-N 400.464 0.159 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1830050348 QXXKJENTRLFCEA-LJQANCHMSA-N 410.540 0.041 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1830055860 GNDNQNXFLDGXMH-HXUWFJFHSA-N 405.499 0.274 30 20 HCED C[C@H](C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1)N1CCN(C)CC1 1830242559 OQMWZLJQVARYOX-IEBWSBKVSA-N 418.538 0.330 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=C)C(F)(F)F)C2)C1 1831402155 PLURLUQQHAHXKN-PBHICJAKSA-N 404.385 0.600 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831419653 PUZUUAYBXAODPI-MDZRGWNJSA-N 400.541 0.988 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 1831484889 ICCHKZDNTZFAOI-QAPCUYQASA-N 410.496 0.207 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(C)nn(C)c3C)CCO2)C1 1831804348 MTKDVXBPVZQNAK-UTKZUKDTSA-N 420.510 0.698 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3noc(C)c3C)CCO2)C1 1831977498 DVTMURVAWODDTO-IERDGZPVSA-N 421.494 0.935 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccnn3C)CC2)CC1 1833463712 VDWFYOBITFHNNT-INIZCTEOSA-N 401.511 0.644 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833666198 SVKZIRLUBTXWKM-AUUYWEPGSA-N 408.524 0.536 30 20 HCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1835240294 YHGTVOKGVXSFER-AEFFLSMTSA-N 404.529 0.060 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4c(O)cc(O)cc4O)C3)C2)CC1 1835346211 VUHLOLASMDRYAO-FQEVSTJZSA-N 417.418 0.177 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)nn1 1835359204 ZAPWJGXRTJNPKV-LJQANCHMSA-N 404.471 0.407 30 20 HCED C[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835768891 NTPBMSKJQDHHDS-CMTYYKMCSA-N 410.515 0.468 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@H](C)N3CCN(C)CC3)CC2)CC1 1836372920 MBSCRZDNRIJKBK-IBGZPJMESA-N 417.598 0.607 30 20 HCED Cn1cccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1=O 1836970024 DBPUBARVUOEATM-UHFFFAOYSA-N 415.446 0.086 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO3)C1 1837214703 XCXXIPGYPPTTCR-GHTZIAJQSA-N 408.495 0.997 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(C)=O)C2)C1 1837311896 OWDTWPSRUDKLAJ-YRISNDGFSA-N 407.511 0.736 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)[C@H]4CCC(=O)N4)CC3)CC2)CCC1 1837783369 WXQXWZCKTGSBCU-QGZVFWFLSA-N 402.495 0.957 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)C)no3)CCO2)C1 1838773051 PIGCCVYILJYWTG-IIBYNOLFSA-N 419.478 0.906 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839059961 NGFBYFPPUYDNCS-DYESRHJHSA-N 418.494 0.881 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839681306 KQCTXLRLCDSHOH-QRWLVFNGSA-N 408.451 0.418 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CN(C(=O)OC(C)(C)C)C(C)C)C2)C1 1839805899 WESJEJZJUBCROD-OAQYLSRUSA-N 423.510 0.722 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1840160994 BATWWMOHYHNHCA-DOXZYTNZSA-N 409.508 0.184 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(-n4cccn4)nc3)C2)C1 1840174129 JUOROPHXSCALBX-NRFANRHFSA-N 411.462 0.913 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1840359005 FVHQVNRONBUEJA-BTYIYWSLSA-N 415.494 0.521 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840427830 SNDBXICFDGUDRE-ZRGWGRIASA-N 409.508 0.624 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(CO)o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c2ccccc21 9551118 XOQBTNZQRHVTKY-GOSISDBHSA-N 406.464 0.713 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545225 QMOMCXBVVCVNOB-LJQANCHMSA-N 403.508 0.919 30 20 HCED N#CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 49295954 DSOHSROVSCOBNN-UHFFFAOYSA-N 414.443 0.962 30 20 HCED CN(Cc1ccccc1)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444498885 NNZWJWYGFJNBNR-UHFFFAOYSA-N 423.477 1.131 30 20 HCED CCN(CC)c1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 446530922 KCEWYXRMAFPVPA-UHFFFAOYSA-N 402.499 0.941 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCc3cccc(C#N)c3)CC2)cn1C 466806524 MJWBNDJXUQQKBC-UHFFFAOYSA-N 416.507 0.859 30 20 HCED CCn1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c2ccccc21 471981361 VUVBFMMBIZVQEW-UHFFFAOYSA-N 423.498 0.178 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1 473741436 KQZBTIXMHUKUGG-UHFFFAOYSA-N 403.439 0.963 30 20 HCED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1cc(C#N)ccc1Cl 475821945 RRVYMGJTAUWLEC-UHFFFAOYSA-N 401.872 0.708 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C1CC1 477033121 JSJGUCONOJICCV-UHFFFAOYSA-N 405.501 0.580 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 484976812 QVSBTPGYCWGVSP-UHFFFAOYSA-N 417.443 0.588 30 20 HCED C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 487509019 AZALZNBIQMNADP-WMLDXEAASA-N 419.507 0.334 30 20 HCED CC[C@H](CO)N1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 494350607 QBDTVBFZMQNNMA-QGZVFWFLSA-N 411.466 0.052 30 20 HCED C[C@@]1(c2ccc(C(N)=O)cc2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 504416881 VNQPXMDLYTVGER-IERDGZPVSA-N 408.414 0.864 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)n1 508337904 DKQRZJKVACUKDJ-UHFFFAOYSA-N 409.797 0.615 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)nc1 508413257 XZPSLCYFBJIWOZ-UHFFFAOYSA-N 404.452 0.304 30 20 HCED CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 515091544 KAICASRHKCLEAR-WFTMENRYSA-N 408.528 0.451 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2[C@H](C(N)=O)c1ccc(C#N)cc1 522332302 JZPNUSRCBFAHML-INIZCTEOSA-N 400.416 0.791 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 533086422 XLHDZHHTXOBUMI-UHFFFAOYSA-N 407.445 0.663 30 20 HCED Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 538459476 FOIUTLPQOAPZCN-OAHLLOKOSA-N 402.432 0.638 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)ccc1OCC(F)(F)F 542595682 LEPMWHOFHSBISJ-AWEZNQCLSA-N 412.368 0.981 30 20 HCED N#Cc1c(CCCNC(=O)c2cc(=O)n3[nH]cnc3n2)nn(-c2ccc(F)cc2)c1N 542771708 ZKTGKRAACOHHPL-UHFFFAOYSA-N 421.396 0.559 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 556389722 DCXBYEUOXQYWLS-UHFFFAOYSA-N 421.396 0.355 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 559604797 BJLCYILFRGOWPD-UHFFFAOYSA-N 421.505 0.635 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](CO)O1 561786356 XCHCRKZODUYOME-VNQPRFMTSA-N 404.442 0.391 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)nc1 569371891 HJLRXXJJGWIQJL-UHFFFAOYSA-N 407.430 0.908 30 20 HCED CN(C)CCCOC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 571010657 DSCGCELJFVGOEI-UHFFFAOYSA-N 408.524 0.796 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCC1 571208685 ZJAFOYBJGIXFQI-CYBMUJFWSA-N 405.451 0.932 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 573999287 XVXDIHACUOPCKR-OAHLLOKOSA-N 407.496 0.582 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(OC[C@@H]3CCOC3)CC2)c1 581856013 XRTWZUYROGUNIO-MRXNPFEDSA-N 407.492 0.881 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1 582272899 OGCKNQNWUOSUNJ-UHFFFAOYSA-N 403.439 0.719 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585727683 BRQSKDPZTJELPY-UHFFFAOYSA-N 418.498 0.157 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 588765585 VHSDVZCCVCLSJA-QGZVFWFLSA-N 405.462 0.392 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)cc2)c1=O 590907073 PLLHOYMWMYMVLF-CQSZACIVSA-N 415.515 0.983 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)oc1C 591000154 LHCWTHCGIKKCMI-UHFFFAOYSA-N 413.455 0.714 30 20 HCED C[C@@H]1CN(C(C)(C)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 594743261 GAQHDKKDGOVQCL-HUUCEWRRSA-N 408.524 0.841 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C4CCN(C)CC4)C3)CC2)c1C#N 615952932 UQQZKHGEGPLMEO-KRWDZBQOSA-N 414.558 0.600 30 20 HCED C[C@H]1CN=C(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)S1 744609211 JZFDOCASBCCMHH-LBPRGKRZSA-N 407.521 0.361 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745354043 RPXPJEDLXJVXIR-DGCLKSJQSA-N 413.500 0.255 30 20 HCED CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)CC1 746392899 GRDGETPNDXFNKT-UHFFFAOYSA-N 415.498 0.138 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 746531805 BXRNIWSIEZMUKW-GOSISDBHSA-N 423.404 0.977 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)CC1 753280030 PWLLWHKHXMETSI-UHFFFAOYSA-N 413.478 0.618 30 20 HCED CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 754644351 JMHALFRTDUFIFG-WUKNDPDISA-N 411.418 0.450 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1 755001682 IDQPTEKMLAGTHW-UHFFFAOYSA-N 416.525 0.082 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)COCC3)C1 755533953 DSIZCKKZPFJKDS-CJNGLKHVSA-N 415.450 0.968 30 20 HCED COC(=O)c1cccc(COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1C#N 756161780 IZZQWVHUTHCPIE-KBPBESRZSA-N 420.443 0.424 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2occc2C)c1=O 758061111 UPVPXCRKCDEXPQ-UHFFFAOYSA-N 410.499 0.112 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCCO1 758118228 PSBHSFHRSFETGO-OAHLLOKOSA-N 415.519 0.242 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1 761031116 NWBZGRHWUQOSGC-UHFFFAOYSA-N 405.929 0.199 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 761031813 DDYTWPTZZQHERQ-DLBZAZTESA-N 404.536 0.828 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 761033443 WZGUDZOGKRSMFV-RDJZCZTQSA-N 406.508 0.100 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4ccnc4)nc3)CC2)n1 761099437 AQHDTKMCGPJKIX-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CC[C@@H](C)[C@@H](NC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)NCCN1CCOCC1 762215264 WFJDNKQIXFDRSF-IIBYNOLFSA-N 415.490 0.746 30 20 HCED Cn1[nH]c(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1=O 765408995 KDAZQCAQXQKXHK-UHFFFAOYSA-N 405.436 0.124 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1 772301347 SCMVVBPGNGGJCR-UHFFFAOYSA-N 406.508 0.864 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 773237171 NRJVECRORARDLZ-INIZCTEOSA-N 400.479 0.696 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1)[C@H]1CCCO1 773786456 JSFZEPCDFJSVNT-LSDHHAIUSA-N 421.475 0.371 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC)[C@H]1CCCO1 773791509 CHFMUWFFZVAVRB-XJKSGUPXSA-N 409.464 0.181 30 20 HCED C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(N)(=O)=O 779597256 BQZBHKBFLAITDQ-NUSFMGPTSA-N 417.513 0.298 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 780058517 FXZINGFTZHULCV-HIFRSBDPSA-N 410.434 0.961 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 783347119 KKDCAJVGAZQNBS-UHFFFAOYSA-N 410.420 0.338 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)nc12 783812017 VRYOKLWDWWGCBQ-ZDUSSCGKSA-N 405.370 0.869 30 20 HCED COCCn1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 784313528 QPZZSBGCPREQJD-UHFFFAOYSA-N 402.411 0.203 30 20 HCED C#CCOCCNC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 784593117 WUZBKPHMGXRWEI-INIZCTEOSA-N 421.519 0.836 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115722 USNFMTWJANAIDZ-KUHUBIRLSA-N 407.467 0.734 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1F 792305772 LELXWTXCSDQZQB-OAHLLOKOSA-N 409.439 0.185 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cncs2)c1=O 794580841 DCCDYCKNXJCKTN-LBPRGKRZSA-N 405.501 0.511 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)CC1 795094450 YYKSVWSNGBQLMD-UHFFFAOYSA-N 411.911 0.988 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1)C(=O)OC 797761909 KPUMWPWDSDOVKH-AWEZNQCLSA-N 402.444 0.986 30 20 HCED C#CCC[C@H](O)CNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 798470116 VDVJVFNGDBARAN-HKUYNNGSSA-N 405.470 0.917 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1=O 798606061 SBEYJHKEKZPCGV-CYBMUJFWSA-N 414.505 0.837 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(=O)N3CCC[C@@H](C)C3)CC2)o1 805561410 HDZNVWNBBOSUDW-CYBMUJFWSA-N 403.439 0.305 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNS(=O)(=O)c2cccnc2)C1 811041998 LVNPXZWHLWHMEG-JSGCOSHPSA-N 409.468 0.235 30 20 HCED CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 815718734 JVFAIIKOIUHMCX-UHFFFAOYSA-N 408.418 0.959 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4cccc(C#N)c4)CC3)ncnc21 834819290 LKJJMDCGDMQFLK-UHFFFAOYSA-N 405.418 0.741 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)N(C)Cc2cnn(C)c2)ccc1F 919075024 LHCRHCWCUANPBF-UHFFFAOYSA-N 424.454 0.839 30 20 HCED N#Cc1cn(CC(=O)N2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)c(=O)nc1O 1157483075 VYMJHJSNRUIWGK-GOSISDBHSA-N 423.473 0.951 30 20 HCED Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1290685947 SLMGMBDPGRRJKS-GHMZBOCLSA-N 412.545 0.887 30 20 HCED CC(C)N1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1303301988 YGSLSZCAGQQKCW-HNAYVOBHSA-N 419.505 0.906 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)N2CCOCC2)CC1 1319894414 OMOFZFUOTCALGY-UHFFFAOYSA-N 423.477 0.752 30 20 HCED N#CCN1CCC(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1332161755 XYRLDPVSXAUWRX-UHFFFAOYSA-N 405.524 0.834 30 20 HCED CNC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1503740857 PDEAJSJHROLFGC-INIZCTEOSA-N 404.434 0.872 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)CC1 1555990037 JWNFLJPNIYAXBY-QGZVFWFLSA-N 422.555 0.642 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC(=O)NCC(F)F)cc1 1555991560 WQHMITPTZHUDAU-UHFFFAOYSA-N 419.392 0.046 30 20 HCED N#Cc1cn(CC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)c(=O)nc1O 1567537161 IXXYRDRGHIISLV-LBPRGKRZSA-N 421.251 0.550 30 20 HCED CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(Br)ccc1C#N 1662057415 SAVSUHQNDORXAC-LLVKDONJSA-N 410.315 0.927 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC1 1730763697 YNSDYKMTSWTALG-MRXNPFEDSA-N 417.514 0.460 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1749878936 OFCRIIDLXPTQKR-UHFFFAOYSA-N 418.523 0.630 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1767424590 YCGSIRCMKCLDTB-INIZCTEOSA-N 405.480 0.713 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cnn(CCOC)c1 1767943434 VWCXAIICLTXAKA-GOSISDBHSA-N 414.514 0.882 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc4c3OCCO4)C2)C1 1777831980 BTNLUQOAZARJGP-AOMKIAJQSA-N 414.458 0.940 30 20 HCED 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CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1847090703 FATKTOXYIIFKEP-ZDUSSCGKSA-N 407.471 0.262 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)C1 1847747721 ZROMHNCMWIWDKW-OWSLCNJRSA-N 417.506 0.829 30 20 HCED CN(CC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 49190408 NTLMQUZGXDHYOS-QGZVFWFLSA-N 418.519 0.944 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)C2)nc1 432961045 QVJNPHDCSAQSRS-QGZVFWFLSA-N 411.466 1.167 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cn1 440093454 ADFFTYFAOJOASP-QWHCGFSZSA-N 408.340 0.992 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1=O 440250905 ABGHDOHYISQCFR-GOEBONIOSA-N 412.446 0.076 30 20 HCED Cc1ccc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)cc1S(=O)(=O)NCC#N 444387573 XIDAVVKHBGQYFS-OAHLLOKOSA-N 408.524 0.714 30 20 HCED COC(=O)c1scc(C)c1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 446521627 HIIOZGRHPNFICC-UHFFFAOYSA-N 408.480 0.856 30 20 HCED CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1O 447794106 CHXSZNQDQITVGF-KRWDZBQOSA-N 406.508 0.094 30 20 HCED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 476040676 JQZYXWXVOGNMHQ-UHFFFAOYSA-N 402.561 0.719 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 489005253 DAQXNOWZFQBNCV-CVEARBPZSA-N 411.483 0.592 30 20 HCED CC(C)[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CCCS1(=O)=O 489188343 XTGFYIXTNZXIQL-QZTJIDSGSA-N 418.519 0.835 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1=O 499990513 OYOUUTBYKKFBOW-HXUWFJFHSA-N 412.534 0.984 30 20 HCED Cc1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 505800021 ZCOAGAJNSYCLBG-HNNXBMFYSA-N 415.475 0.476 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)cc1 506696331 GCZBYJPONIYQRB-GOEBONIOSA-N 422.507 0.375 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 506748238 LDCYVPHGYLRGFH-CQSZACIVSA-N 408.480 0.635 30 20 HCED Cc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nn1-c1cccc(C#N)c1 508537187 GQKOLYOAXBWCLP-GOSISDBHSA-N 413.503 0.997 30 20 HCED CS(=O)(=O)c1cccc(Oc2ncccc2CNC(=O)NCC(=O)NCC#N)c1 511905410 JCQZWAQRXLWZCT-UHFFFAOYSA-N 417.447 0.716 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H](O)COCC2CC2)n1 512999976 RIXIVLFMSCCJLA-CYBMUJFWSA-N 401.398 0.725 30 20 HCED C[C@H]1CN(C[C@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 513457529 XVXFPPCSTVDEKP-ZIFCJYIRSA-N 422.551 0.335 30 20 HCED C=CCc1ccc(OCC(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 514624250 PYZXKWQDMAFVIQ-INIZCTEOSA-N 424.519 0.954 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C#N 516555415 WNYWVWLKARFHIP-UHFFFAOYSA-N 401.471 0.873 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCOCC3)CC2)c1 521839095 RQHFOTBRZHTMOA-UHFFFAOYSA-N 423.491 0.857 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(F)cc3F)c2=O)cn1 522387228 DIGKFKOLVLHISU-UHFFFAOYSA-N 415.425 0.643 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)s1 531655433 VSGOMUKCPDNYCX-UHFFFAOYSA-N 405.501 0.583 30 20 HCED N#CCCN(C(=O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 533382899 RJVIUCQCIVJHBB-MSOLQXFVSA-N 406.508 0.021 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@@H]2C(N)=O)c(C(F)(F)F)c1 547921599 FLGHYTDQZIESHO-GXSJLCMTSA-N 405.354 0.916 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(Cn2ccnc2)cc1 551253499 IQPFSTNOXYVLMT-UHFFFAOYSA-N 420.477 0.816 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCN(C4CCCC4)C3)C2=O)cc1 553357339 LIUDKJJSSSGATC-QUCCMNQESA-N 423.517 0.908 30 20 HCED CC[C@@H]1CN(CC#CCN2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)C[C@H](C)S1(=O)=O 553925481 QXRJPNGDIBAFFK-XMTFNYHQSA-N 404.598 0.785 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCCCC1=O 561368025 SHJVEDFMMKRTLR-UHFFFAOYSA-N 413.522 0.967 30 20 HCED Cc1nsc(N2CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)c1C#N 564397653 PFZRODWLOWSPCR-UHFFFAOYSA-N 412.523 0.584 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2=O)n1 576411188 ODZROUDXGUWCFR-INIZCTEOSA-N 408.466 0.714 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([S@](C)=O)CCC1 576670428 NKFQSFFJNUINSN-NDEPHWFRSA-N 404.536 0.866 30 20 HCED Cc1ccc(S(=O)(=O)N[C@]2(C#N)CC2(C)C)cc1S(=O)(=O)N1CCOCC1 578705704 KJMYLBKTTXWQKT-KRWDZBQOSA-N 413.521 0.987 30 20 HCED N#Cc1ncn(CCNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)n1 588215841 MVNLDFBLHBDYQU-UHFFFAOYSA-N 411.875 0.471 30 20 HCED COCCN(CCC#N)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCO1 589678652 UWRQBQQKOUZVJR-CABCVRRESA-N 414.532 0.824 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1CCN(CC#N)CC1 610492735 ZVXBGKVTBFEYGH-UHFFFAOYSA-N 409.512 0.011 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 679822140 WXWDERICUJGLCH-WBVHZDCISA-N 423.535 0.526 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 728530850 WDUCBCQMBLTLDV-UHFFFAOYSA-N 417.487 0.485 30 20 HCED N#CCNC(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 731234302 COWVKPVZCYKNGP-UHFFFAOYSA-N 404.788 0.100 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CC(=O)N(C)C 732563061 QKGRTHLKTKNRHW-CYBMUJFWSA-N 415.519 0.333 30 20 HCED COC(=O)[C@@H](OC(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1)c1ccc(C#N)cc1 740237712 RNEZRAKFACNRDE-HNNXBMFYSA-N 411.374 0.624 30 20 HCED C[C@H](OC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(=O)N(C)CCC#N 745388028 RWPDKCDPSAFEHL-SWLSCSKDSA-N 414.418 0.220 30 20 HCED C[C@H](C(=O)OCC(=O)N(CC#N)c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745443670 FJMXHVUMJIAUHR-MDOOTNJJSA-N 411.414 0.637 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cnn([C@H]3CCOC3)c2)[C@@H](C#N)C1 752002194 MRCHTKBXPRRQHG-KBPBESRZSA-N 411.484 0.978 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)[C@H](C#N)C1 756889973 AIQBHZQSAYTGBQ-TZMCWYRMSA-N 421.479 0.359 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccc3c(c2)CCO3)c1=O 758077128 RTSDOICNWUNMKY-AWEZNQCLSA-N 423.494 0.132 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)C1 758643586 WDLYYCXMVFACIT-KGLIPLIRSA-N 416.500 0.419 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NC2CCN(CC#N)CC2)cc1 760170584 YRNFIGSNCMDZET-UHFFFAOYSA-N 422.507 0.562 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CC1 761262053 VXLJBFNRVFKZNX-UHFFFAOYSA-N 415.537 0.786 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cc(=O)n2ccccc2n1 766300141 PTKJYEIRXLALKW-ZDUSSCGKSA-N 412.427 0.976 30 20 HCED C=CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 772717190 FICVBRKBJLJSCI-STQMWFEESA-N 402.494 0.730 30 20 HCED C#CCCN1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)CC1 776595060 ALHOVWQCGQLETH-UHFFFAOYSA-N 406.508 0.912 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 776884747 NVQOBQVENLMQGY-UHFFFAOYSA-N 411.299 0.433 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 783345990 BJCFPKSSEAKMHV-GASCZTMLSA-N 409.508 0.956 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)OC)ccc1Cl)[C@H]1CCS(=O)(=O)C1 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20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 914571950 VYFCROTXAGDPIU-ZIAGYGMSSA-N 409.468 0.942 30 20 HCED Cn1cc(C=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)c(=O)n(C)c1=O 914697956 HKOUBRRHNNTWHN-UHFFFAOYSA-N 406.468 0.146 30 20 HCED COCCN1C(=O)c2ccc(C(=O)[C@H](C#N)C(=O)NC3CCCC3)cc2S1(=O)=O 917430546 NSTLDXXTSPPGJL-HNNXBMFYSA-N 419.459 0.859 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CCOC)nn1 1003082533 ZWUNSSFTDOZYAZ-DZXRDFMUSA-N 403.483 0.767 30 20 HCED CN(C)CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1116255548 COYDPMDQZZWZKY-SJLPKXTDSA-N 418.519 0.488 30 20 HCED CC(=O)N[C@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290636826 YNQDWXKQGWFUIS-GOSISDBHSA-N 406.508 0.942 30 20 HCED CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)nc1 1310682402 YEXKYQQFLJLTLT-UHFFFAOYSA-N 415.479 0.953 30 20 HCED CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC 1314520976 MGDJYEUWWLBYHS-UHFFFAOYSA-N 404.496 0.824 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(F)cccc2Br)CC1 1329336576 JMSOMJHXKKPFDP-UHFFFAOYSA-N 418.288 0.644 30 20 HCED CC(=NNC(=S)NCc1cccnc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 1347627935 JJBJTNNACUBMPL-UHFFFAOYSA-N 405.505 0.729 30 20 HCED CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1503253883 KUWSDKFANVBZRH-CYBMUJFWSA-N 404.500 0.398 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN(C)CC(=O)OC 1545829012 LPZCBCGTKMQXJT-OAHLLOKOSA-N 424.523 0.505 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCO[C@H]1C 1614028851 RFJVWQZJZCSSBE-AUSJPIAWSA-N 412.498 0.757 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 1640588513 LTJWLVCQHPWRKX-UHFFFAOYSA-N 415.418 0.939 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1Br 1655561538 WTDLBCVNIORTFM-CHWSQXEVSA-N 400.254 0.599 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1748292955 WFWMPSUXVNWOAO-OAHLLOKOSA-N 406.468 0.232 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCOCC1 1750390518 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1780335115 QDBFWEJAEMDUMX-FQEVSTJZSA-N 405.418 0.686 30 20 HCED Cc1c(Br)c(C(=O)N2CC[C@@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1780366023 BUVXXJXGJUEGJA-MRXNPFEDSA-N 410.272 0.848 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1782624737 JHBONXVBWIUNTL-PQIAQTKFSA-N 422.482 0.385 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)CN(CC)CC)C2)C1 1782686017 GQHWHJTVVAUIMZ-IYOIXKLHSA-N 420.554 0.653 30 20 HCED C[C@H](Cc1ccc(F)cc1)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782927124 CQBPPCCVBMIWEE-VFNWGFHPSA-N 402.422 0.922 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCOCCOCCOC)C2)C1 1783667579 ZKPMMVRGSRMBGZ-OAQYLSRUSA-N 410.511 0.690 30 20 HCED C[C@@H](S)C(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)NCc3ccco3)CCO2)C1 1783893987 ROZOMVIFBLGTPT-FSEUQFBXSA-N 407.492 0.600 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCNC(=O)C4)C3)C2)c1 1784038586 HPJBDTXRVXMVLG-JTSKRJEESA-N 410.474 0.836 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)n1cncn1 1784472901 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0.784 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)c(F)c3)C2)C1 1831399169 QKUWHKWWEZBMFC-QVKFZJNVSA-N 420.437 0.640 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)nc1C)CCO2 1831879989 CTCLMFOKBDNMCZ-NRFANRHFSA-N 402.495 0.992 30 20 HCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)n1 1833330832 XNXLJMDKNLPQGF-FQEVSTJZSA-N 415.450 0.414 30 20 HCED CN(C)c1ccncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1833661555 JGFJMNSPVIXVEC-HXUWFJFHSA-N 401.467 0.521 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4cccc(F)c34)C2)C1 1834766899 DDZZYDNEWQWPNM-LJQANCHMSA-N 401.398 0.686 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCOC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1835359879 MTSPXMXULVFUCY-OXQOHEQNSA-N 401.467 0.642 30 20 HCED CN(C)CC(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767574 FBCQJXSPAQFGNA-ODAUKNCYSA-N 423.558 0.649 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)NC(=O)C=C)CC2)CC1 1835825616 DBYGCNXJHBZWNZ-SJORKVTESA-N 420.554 0.840 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(Cl)cn3)CCO2)C1 1835975884 BYUIOCSYHKULQP-BLLLJJGKSA-N 402.904 0.311 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H]3CCCN(C)C3)CC2)CC1 1836349880 HGOOFZNFPWBKGE-RBUKOAKNSA-N 418.582 0.938 30 20 HCED C[C@@H](C(=O)NC1CCN(C2CCN(C(=O)CC#N)CC2)CC1)N1CCN(C)CC1 1836371789 DZKJJMIYIRDETQ-KRWDZBQOSA-N 404.559 0.108 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2C=CCN2)CCO3)c1 1836480586 HIQKIGKSMJMFBW-UGKGYDQZSA-N 410.474 0.465 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCN(C)C(C)=O)CC2)CC1 1836855843 GZQKVNDANZSKOM-KRWDZBQOSA-N 421.538 0.892 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5cn[nH]c5cn4)CCO3)C2)CCC1 1837200479 ISZNYNSTXPUEAY-OAQYLSRUSA-N 424.461 0.722 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)CC3CC3)C2)C1 1837489467 IDJXYSYDPAFELW-QFIPXVFZSA-N 404.507 0.942 30 20 HCED Cc1ocnc1C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564291 GICRPIAJQJKMNE-SWHKHVPSSA-N 416.434 0.765 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)C3=COCCC3)C2)C1 1837565248 PDHWTUBFYDDTLI-IQTGRTGDSA-N 417.462 0.849 30 20 HCED COc1nc(C)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1838173507 INPQJCSIPDJRBC-NRFANRHFSA-N 414.462 0.772 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c[nH]nc1C)CCO2 1838684287 VFOFQXJPLFPCFK-FQEVSTJZSA-N 420.466 0.298 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@H]4CCCCO4)C3)C2)c1 1838732254 KBGMHEXOFCNDNW-DYESRHJHSA-N 416.478 0.916 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n(C)n1 1838906680 YTCSTJGRFKMLPD-QFIPXVFZSA-N 423.473 0.984 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4ccnn4)C3)C2)cc1 1838952691 FPBQAASVSPEASJ-NRFANRHFSA-N 424.461 0.310 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(O)ccc4O)CCO3)C2)CC1 1839447176 OMMRHWXNCHKICB-HXUWFJFHSA-N 401.419 0.472 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@@H]4Cc5ccccc5N4)CCO3)C2)CC1 1839735147 PJUDMRFLVAPOBF-AVRDEDQJSA-N 410.474 0.783 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C2)C1 1839807375 WEQUJIVZWHXWMJ-HXUWFJFHSA-N 413.409 0.110 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(C)(C)C#N)C4)C3)(C1)C2 1840003855 OJIQWTLWOMZOHV-XVAXZDLZSA-N 419.478 0.336 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4[nH]ccc4s3)C2)C1 1840042568 BDNWQZRWSYWDJL-LJQANCHMSA-N 417.443 0.387 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1840166729 ZBBUOXTZLYRXKQ-OAQYLSRUSA-N 401.463 0.964 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445738 JWIDAQKMMFTKQK-SJLPKXTDSA-N 411.528 0.079 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3CNC(=O)O3)C2)c(C(F)(F)F)n1 1841648829 YRWROJXCZQZRFL-LBPRGKRZSA-N 423.351 0.897 30 20 HCED CN(CC(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1)C(=O)C(=O)O 1845486342 GODCBEBMMYKOBE-UHFFFAOYSA-N 402.382 0.057 30 20 HCED CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197097 SVCAGZSZGJVUSW-OAHLLOKOSA-N 419.478 0.971 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1=O 21593355 UQTCPHCCFUCQPO-UHFFFAOYSA-N 409.446 0.779 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cn3nnc4ccccc4c3=O)CC2)cc1 27538739 CLPZNCQINGTBBX-UHFFFAOYSA-N 410.459 0.627 30 20 HCED COCCN(C(=O)c1ccc(C#N)c(C)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 31877714 IOHLAIIGHBAYEX-UHFFFAOYSA-N 400.439 0.643 30 20 HCED C#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 139266987 OZPVYVAITNRZQU-GOSISDBHSA-N 405.520 0.925 30 20 HCED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCS1(=O)=O 429884901 LWOADGRSVNUXHF-LBPRGKRZSA-N 419.438 0.857 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCN1c1nccn2cnnc12 433876149 YILVRTCGIDOVFZ-LBPRGKRZSA-N 408.397 0.811 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C 434819306 LIHRQFNQBUQCSE-CYBMUJFWSA-N 419.445 0.543 30 20 HCED CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442118311 BBDMGXCCGYRUMV-MRXNPFEDSA-N 424.461 1.469 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)CC1 445515461 YNKLBQSSJAQQEA-UHFFFAOYSA-N 413.450 0.086 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)ccc1C 446151378 JKLRGHRHRCYQDB-HNNXBMFYSA-N 413.499 0.562 30 20 HCED Cc1ccc(-n2nc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2C)cc1 446530904 JWXJOWHTZFTPOY-UHFFFAOYSA-N 424.505 1.502 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)NCCSCc2ccccc2C#N)cn1 448510009 KZMASDLUAIHZPP-UHFFFAOYSA-N 400.464 0.489 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 462020467 MRCTUDXHHJPJFV-GJZGRUSLSA-N 417.495 1.287 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)CC(=O)c1cn(CCC#N)c2ccccc12 472426067 ABKLGEPCTJDPJT-OAHLLOKOSA-N 416.503 0.973 30 20 HCED CC[C@H](CC#N)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 475015164 QPFKMPZYAXQTTK-TZMCWYRMSA-N 414.509 0.966 30 20 HCED CC(C)OCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482509681 QTDGARHEFZIBPI-MRXNPFEDSA-N 408.524 0.794 30 20 HCED CS(=O)(=O)c1cc(S(N)(=O)=O)ccc1N1CC[C@H](Oc2ccc(C#N)cn2)C1 488993967 PKKIDNQOUKVIOF-ZDUSSCGKSA-N 422.488 0.662 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)c3cnc4nc(O)nc(O)c4c3)C2=O)cc1 489178111 MRLUYUTVHVKNAQ-HNNXBMFYSA-N 404.386 0.839 30 20 HCED CS(=O)(=O)c1nc(C(=O)N(CCC#N)CCN2CCOCC2)c2ccccn12 502550928 HCSZYFDQDIADGL-UHFFFAOYSA-N 405.480 0.426 30 20 HCED CS(=O)(=O)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 502970006 NTXMMPKKLVROMF-ZWKOTPCHSA-N 408.499 0.653 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3(OCCO)CCOCC3)C2=O)cc1 507414911 RIESTMJLMKVKLY-GOSISDBHSA-N 416.478 0.516 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)n1 508377892 MJLDYQMIMOBHAJ-XHDPSFHLSA-N 417.422 0.467 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)N(CCO)CCN3CCOCC3)C2=O)cc1 508671271 PNKWBCPJEIGPTC-IBGZPJMESA-N 415.494 0.390 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(=O)(=O)CC)CC1 508884234 GDFOQUTWLYXTEY-UHFFFAOYSA-N 405.484 0.583 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 508958176 CSUGJGMWTCABKG-UHFFFAOYSA-N 407.430 0.354 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 513354028 YGSVQCDSAFVLSD-AWEZNQCLSA-N 418.523 0.590 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 532703334 NXDQOALNCDFDAW-UHFFFAOYSA-N 405.473 0.370 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CC[C@H](S(N)(=O)=O)C2)n(Cc2ccco2)c1C 534554102 KPAOOSXKLQGDIN-HNNXBMFYSA-N 405.480 0.919 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 535214784 JQNSWNVJQYKMSU-PBHICJAKSA-N 424.523 0.519 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)c1 536739640 IJCPNURKQMGXFQ-UHFFFAOYSA-N 411.461 0.756 30 20 HCED CC(C)(C(N)=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537248127 JVCUJFIXFNYHJZ-INIZCTEOSA-N 418.567 0.338 30 20 HCED N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 537794745 BLJFLVISAMURPE-UHFFFAOYSA-N 404.408 0.196 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 540167888 ABLQAUPPQMVXPE-LBPRGKRZSA-N 405.480 0.846 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](N3CCN(C(C)C)CC3)C2)CC1 540347155 WIARRPISBFLCFY-NHCUHLMSSA-N 404.603 0.779 30 20 HCED N#Cc1ccc(CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C2CC2)cc1 541478645 XJNSHEOZHXASGS-UHFFFAOYSA-N 401.448 0.455 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)S(C)(=O)=O 542075965 XZYLTBMRCUCXKE-JTQLQIEISA-N 409.855 0.885 30 20 HCED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccon1 542649646 VZNJAOLOOTYTKK-AWEZNQCLSA-N 403.464 0.730 30 20 HCED CCOC(=O)[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCOCC1 543556802 XLUMCONEIUHATB-GOSISDBHSA-N 419.482 0.451 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C(=O)O 543786117 DALIJXGAYHFEBB-GFCCVEGCSA-N 408.523 0.375 30 20 HCED Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 551190162 YXZGPIDDWOQCQM-QGZVFWFLSA-N 409.450 0.826 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 552632742 GXSWPCLPHSCGEF-KRWDZBQOSA-N 423.439 0.955 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 556048884 RVCAGYUOOVEEMK-CYBMUJFWSA-N 412.493 0.211 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1 557411077 JSZUFRKZBROQBL-INIZCTEOSA-N 400.479 0.683 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 557600662 LNIOCUAONFFQPS-AUUYWEPGSA-N 420.491 0.744 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](CC)c2ccc(OC)cc2)CC1 559413741 DRHKGEFNZCZRHR-SFHVURJKSA-N 402.495 0.709 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)C1=O 561759983 LNYOOWCLKJTJHB-ROUUACIJSA-N 412.490 0.457 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCn3c(nnc3-c3cccnc3)C2)c1 563696504 ODMYQVWVYCYUQX-UHFFFAOYSA-N 423.458 0.532 30 20 HCED C=CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 576018354 XZWHLVOHZZJULB-GOSISDBHSA-N 412.490 0.760 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)s1 604270234 VJMRZUZOCGCHEN-UHFFFAOYSA-N 416.528 0.150 30 20 HCED CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCC#N)CCOC)CC2 615255184 BJVZNAHBEIMTFW-UHFFFAOYSA-N 408.480 0.263 30 20 HCED N#Cc1ccc(N2CCN([C@@H]3CCOC3)CC2)nc1N1CCN([C@H]2CCOC2)CC1 618156481 MYWFJYDTPVJHLI-UXHICEINSA-N 412.538 0.775 30 20 HCED CC(C)Oc1cccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)c1 729673007 QSFONRMTJQMPNX-UHFFFAOYSA-N 417.512 0.768 30 20 HCED C[C@@H]1Sc2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2NC1=O 732909115 YOUNIONQTPRPMH-JQWIXIFHSA-N 407.473 0.699 30 20 HCED Cc1ccc(N2C[C@H](C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)cc1F 732909618 DROJJMZPVFYZIV-HIFRSBDPSA-N 421.450 0.453 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 733148891 MRZQOAQSJUEXCB-HXUWFJFHSA-N 422.529 0.812 30 20 HCED CN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 735586267 UFJCASXRXIMWEB-XLNRJJMWSA-N 423.539 0.896 30 20 HCED CN1CCC[C@@H](N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)C1 738215043 RMFPCVDRMVPEDM-HXUWFJFHSA-N 410.522 0.992 30 20 HCED CON(C)C(=O)[C@H](CCSC)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 751506766 ONMYPHYILPYWBU-NSHDSACASA-N 402.454 0.886 30 20 HCED COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1F 757112759 BEPIKMCXIHHXOM-MRXNPFEDSA-N 405.407 0.895 30 20 HCED CC(F)(F)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 758730037 JJJWUOMTWFKSPS-UHFFFAOYSA-N 415.418 0.980 30 20 HCED C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 764681363 AWEOWZMVEORJKQ-ZSCVRGEUSA-N 422.507 0.979 30 20 HCED COc1cc(C#N)ccc1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 766864554 UYNUXHNOZDRMLB-AWEZNQCLSA-N 405.432 0.776 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ncn(C)n2)cn1 768418368 SDTMEVFXWFBQMP-CYBMUJFWSA-N 402.484 0.832 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CCN1C1CC1 768721735 OPYLXYUGGBZHMV-KRWDZBQOSA-N 413.482 0.079 30 20 HCED CC(=O)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 775583201 CBKVJTQVYYNVTH-UHFFFAOYSA-N 406.508 0.975 30 20 HCED N#CCCCS(=O)(=O)NC(=O)CN1C(=O)COc2cc(Br)ccc21 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407.430 0.760 30 20 HCED C#CCNc1nc(N[C@H]2CCC[C@H]2C(=O)NC)nc(N[C@@H]2CCC[C@@H]2C(=O)NC)n1 804586967 SVNZFSYNCVIXBH-PYHGIMPFSA-N 414.514 0.570 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)NCC(=O)N3CCCC3)C2)c(F)c1 805587563 JJSWCYFYVSMKJD-OAHLLOKOSA-N 402.426 0.805 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1)[C@H]1CCCO1 809310483 JMPJJEUTLJVSJR-HZPDHXFCSA-N 413.503 0.945 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCO1 809311765 ZJYGZCROWWZWLB-HOCLYGCPSA-N 423.429 0.752 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)c1 810172680 QXHSQDGDKWSQQF-UHFFFAOYSA-N 413.455 0.904 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1C#N 812974724 LXSAHJFVPOIJEO-UHFFFAOYSA-N 421.457 0.754 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCN(CC(C)(C)O)CC2)CC1 814223101 MXTQTPNNRDKIIZ-UHFFFAOYSA-N 424.571 0.652 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(Br)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 815590582 ASYSTFVVUQAFOO-ZDUSSCGKSA-N 424.276 0.908 30 20 HCED 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418.454 0.545 30 20 HCED C=CCSCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)CNC2=O)n[nH]1 1815596951 HJTFUDHZKGLXRG-CYBMUJFWSA-N 420.495 0.873 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1829764621 QLKRZHAWUMWOIZ-RMUOZIPVSA-N 414.462 0.010 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cccc(C#N)c3)CCO2)C1 1830456911 WTCTWCVSFVGIRQ-KNQAVFIVSA-N 415.490 0.718 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)s3)C2)C1 1831386702 IZPAUHWGLGYFMW-AUUYWEPGSA-N 410.467 0.996 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C1=CCCS1)CCO2 1831553901 OFOMTRRKSBOKAN-TTYLXTBDSA-N 422.551 0.935 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3c(C)noc3C)CCO2)C1 1832553101 JAFKYATYYLPEBC-UWJYYQICSA-N 419.478 0.329 30 20 HCED COc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cn1 1832586380 ZKGQPPNWRDOGFA-MGPUTAFESA-N 423.535 0.798 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)C(OC)OC)CC2)CC1 1833074594 SMXBGWCJBBBWSI-WAYWQWQTSA-N 422.526 0.035 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1 1834005681 RUYWFPSIGOJIEV-UTKZUKDTSA-N 403.479 0.725 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3scnc3C)CCO2)C1 1834262708 COTPQOFPSOOTJP-DNVCBOLYSA-N 407.492 0.560 30 20 HCED C[C@@H](CN)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834657898 NBTWRIOLPPPHPX-INIZCTEOSA-N 406.575 0.435 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1 1835348294 VDLMQRACASVVDN-OXQOHEQNSA-N 401.467 0.513 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(C)(C)C)CCO2)C1)C(F)(F)F 1835619595 FEQYRPXIFBXNBK-QGZVFWFLSA-N 407.433 0.949 30 20 HCED CC(C)N[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)C(C)C 1835894735 SOPVERJQCXDKMB-UWJYYQICSA-N 406.527 0.769 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836184839 QBVJTHCUDKWZJI-LAUBAEHRSA-N 401.463 0.119 30 20 HCED Cc1cc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n[nH]1 1837585234 MTOHCTWZLPKWGY-HSZRJFAPSA-N 422.485 0.769 30 20 HCED Cc1ncncc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838482095 OEYUMSJVUGOYBU-UHFFFAOYSA-N 400.435 0.485 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838512324 NNPMSTGCOWPAGY-KKSFZXQISA-N 421.494 0.822 30 20 HCED CNCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1839451806 OJWOLOSHCJYVBU-QFIPXVFZSA-N 414.506 0.936 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cnn5c4CCC5)CCO3)C2)C1 1839529867 OJAUQHNTIRQCHW-NRFANRHFSA-N 400.479 0.866 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4c[nH]c5nccc-5c4n3C)C2)C1 1839808919 KXAGCFHJMLQIAE-JOCHJYFZSA-N 421.457 0.709 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840169475 GRXQNYRMUCYLFL-OAQYLSRUSA-N 411.462 0.831 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1 1840293584 KIZIVACKMVWMAM-NRFANRHFSA-N 402.495 0.911 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=C(/C)C(=O)O)CCO2)C1 1840839584 VGNFFIWYTKXLMK-HOFZKYPUSA-N 402.394 0.685 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnc4nc3O)C2)C1 1840843948 VFFPXGGPZISXJE-QFIPXVFZSA-N 424.457 0.819 30 20 HCED O=C(Cn1cc([N+](=O)[O-])cn1)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844281880 BYSCQUYGTUOQPB-UHFFFAOYSA-N 415.450 0.693 30 20 HCED CS(=O)(=O)CCC(=O)N1CCCC12CN(C(=O)COc1ccccc1C#N)C2 1846701792 DSJDGWLDICAAJU-UHFFFAOYSA-N 405.476 0.575 30 20 HCED Cc1cn(CC(=O)N2CCCC23CN(C(=O)c2ccc(CC#N)cc2)C3)c(=O)nc1O 1846970274 YYDRIDSNHCDZHY-UHFFFAOYSA-N 421.457 0.841 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1847071352 QTOJTZYLTIBRJM-AWEZNQCLSA-N 406.483 0.372 30 20 HCED CC(C)(C)OC(=O)NCCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847960350 KDDPULOFDFOALQ-GJZGRUSLSA-N 407.467 0.971 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccc(O)cc2)cc1 47545544 KFKOZWAZMZXORC-UHFFFAOYSA-N 416.459 0.744 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c1 409523422 VBCGAHZFWVSUMT-HNNXBMFYSA-N 414.553 0.946 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCNS(=O)(=O)N(CC)C[C@@H](C)C#N 409538537 XERFSQAAZRRDIO-GJZGRUSLSA-N 422.577 0.008 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CC(C)CC(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 410140121 GVDVYKDHSAHGGL-ROUUACIJSA-N 418.538 0.893 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)ccc1Cl 428233398 RWYGPTVGVXSMJG-UHFFFAOYSA-N 411.827 0.374 30 20 HCED CC#CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 430260928 HXLWIEFEABTODI-LBPRGKRZSA-N 405.398 0.757 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccccc3O)CC2)CC1 436713045 DEXZZFXNWPMJJG-IBGZPJMESA-N 413.522 0.842 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 443099449 FDHPCJJDRZVYOA-UHFFFAOYSA-N 416.434 0.748 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446531188 KYFMOJVQFVTRKG-UHFFFAOYSA-N 417.466 0.068 30 20 HCED CCO[C@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1cnn(-c3ncccc3C#N)c1)CC2 460720721 WYTRVAJEYBTQMY-IRXDYDNUSA-N 424.461 0.856 30 20 HCED N#CC1(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 463345998 PVRAFRZRBXZDFD-UHFFFAOYSA-N 413.521 0.572 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 465276965 UVLKQDDPYNBJKH-ASSNKEHSSA-N 419.445 0.754 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465417942 RMZXSWYHBYSAOR-ZDUSSCGKSA-N 407.434 0.384 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)nc3)CC2)c1C#N 471703975 AVNJCHWGYDMJFF-UHFFFAOYSA-N 417.495 0.208 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 472102680 VLNLSSHABZCLDG-XLIONFOSSA-N 409.490 0.632 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCO3)CC2)c1C#N 472247853 IKNRMDCBKIGFBL-ROUUACIJSA-N 414.510 0.809 30 20 HCED CN1CCc2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2C1=O 472376874 ZMFZJEYYZNHWJG-UHFFFAOYSA-N 418.457 0.869 30 20 HCED Cc1ccc(-n2nc(CCCNS(=O)(=O)c3cnnn3C)c(C#N)c2N)cc1 477588194 HIVDCDHMVFBXPF-UHFFFAOYSA-N 400.468 0.674 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1 479898603 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423.491 0.638 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 512254137 TUFPRJWTCHITKS-YJBOKZPZSA-N 421.519 0.863 30 20 HCED C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(=O)N[C@](C)(C#N)C1CC1 512289365 SJULAZOLRMSVEM-IWMITWMQSA-N 400.527 0.609 30 20 HCED COCCN(C)CCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 512793675 WFVOQJFKICSYJD-UHFFFAOYSA-N 402.430 0.906 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@H](C(C)(C)C)C3)CC2)c1C#N 514411340 YOQFFJNYDSWYNV-RDJZCZTQSA-N 416.526 0.959 30 20 HCED CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 517327341 HQAQLYMLUAZYEL-KRWDZBQOSA-N 401.467 0.448 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2nncn2-c2ccccc2)n1 517444784 BRBUUKRPIXPOHE-UHFFFAOYSA-N 413.401 0.975 30 20 HCED N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCO1 519273326 SLFFZBLQOWJRLY-LBPRGKRZSA-N 402.270 0.868 30 20 HCED C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cnn(C)c1 542575434 ICUBLKIZEFIGHR-OAHLLOKOSA-N 416.507 0.475 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)C1=O 544726963 ZYYRLALXOVAYNC-RDJZCZTQSA-N 408.476 0.961 30 20 HCED COc1ccc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)cc1C(N)=O 547915739 AJQNHTUIOBJZDZ-UHFFFAOYSA-N 403.416 0.941 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(O)o3)CC2)cc1 549715712 ADTLJDLQBNHXPC-UHFFFAOYSA-N 405.436 0.987 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 549751716 HENVLMNCTCATBD-GOEBONIOSA-N 400.435 0.792 30 20 HCED CCOC(=O)c1cnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)s1 550470181 CRMXRHADKSVKKP-UHFFFAOYSA-N 414.447 0.874 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1C 551064557 GYPVEIZUTCGRSP-AWEZNQCLSA-N 412.406 0.250 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 553589173 ILBBYLTZMNWCFA-UHFFFAOYSA-N 418.479 0.206 30 20 HCED CC(C)NS(=O)(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 556083392 MPMZFSJUFVZZII-UHFFFAOYSA-N 400.526 0.192 30 20 HCED N#Cc1ccc2ncc(CNC3CCN(S(=O)(=O)N4CCOCC4)CC3)n2c1 556594511 AWRRUKAKEKWHHG-UHFFFAOYSA-N 404.496 0.337 30 20 HCED CN1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 557270843 DNJMSHXMUACWND-CVEARBPZSA-N 403.458 0.229 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCc2cccc(C(N)=O)c2)CCN1Cc1ccccc1 557417317 GJXNNWUXPPKOBQ-FQEVSTJZSA-N 419.485 0.681 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H](CO)C2CCOCC2)n1 557987042 CUEXCHOKEUNFAF-OAHLLOKOSA-N 401.398 0.725 30 20 HCED CN(C)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 560054071 BYTADVSXIDHIPA-UHFFFAOYSA-N 406.446 0.942 30 20 HCED COCCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 560988861 PQGCDEGIOHZYOX-QGZVFWFLSA-N 417.485 0.430 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 563525953 AWSQVVSXOJVZRN-UHFFFAOYSA-N 405.547 0.983 30 20 HCED CC(C)(C#N)CCS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 569037723 AMOYZWKEKBXPBU-INIZCTEOSA-N 421.585 0.467 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2cc(F)cc3c2OCOC3)C1=O 573788168 TVTMLJHZTDOBMK-INIZCTEOSA-N 405.426 0.596 30 20 HCED C=CCN(CCOC)C(=O)C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 577298675 MNFXMNKWCRTFCP-KRWDZBQOSA-N 405.451 0.586 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)ccc1OCC(N)=O 579293075 NDPXUTAQGXVYGI-UHFFFAOYSA-N 400.366 0.825 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCCO[C@@H]3CCOC3)C2=O)cc1 581688940 VZSVBLBKYXWOIX-MSOLQXFVSA-N 414.462 0.087 30 20 HCED C[C@H]1CN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CCN1c1nccn2cnnc12 587672942 FSQZNKMSZRYYLD-LSDHHAIUSA-N 418.461 0.910 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)c(C)c2)c1=O 589756775 YIVONLRSSFGDTF-UHFFFAOYSA-N 413.499 0.679 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 609516826 RJJLRUDTLJPHTB-RBUKOAKNSA-N 405.543 0.392 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(C#N)nc3)cn2)C[C@H](C)O1 610194922 VENMIMZCODRPRP-STQMWFEESA-N 404.452 0.586 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1Br 611476960 QTLHEPBIHZADGM-UHFFFAOYSA-N 416.203 0.732 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)CCOc2ccccc2F)c1=O 613979419 NEKHTAHFBZEMBV-UHFFFAOYSA-N 418.425 0.220 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 672510027 SEBKITQQOSAKJI-WBVHZDCISA-N 409.508 0.796 30 20 HCED N#CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 730504511 SKEVHVYTWMRVNN-NVAPOSRTSA-N 409.490 0.894 30 20 HCED N#C[C@@H](C(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1)c1nc2ccccc2s1 730571990 ZXEDDIJZBLZYGE-OLZOCXBDSA-N 407.521 0.978 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1 731130588 SGUJOCRQJPNYLJ-UHFFFAOYSA-N 411.505 0.132 30 20 HCED COC(=O)COc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731851450 WZJWYTGPQJGDFM-MSUUIHNZSA-N 409.420 0.043 30 20 HCED C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1=O 732156145 KGCUPDYLKLZGNU-UAMJFUFUSA-N 411.418 0.096 30 20 HCED CC[C@H](C)[C@@H](NC(=O)COc1cccc(C#N)c1)C(=O)NCCN1CCOCC1 732156298 KHGVMISHQHAYEA-OXJNMPFZSA-N 402.495 0.916 30 20 HCED COC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 737305876 JSJDPNDBELBCDF-CCEZHUSRSA-N 420.809 0.708 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(NC(=O)OCCOC)c2)C1=O 748568104 RAGYCLMICHIBDT-UHFFFAOYSA-N 404.379 0.797 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2C=CS(=O)(=O)C2)c1 749505560 WEFVUZZLHODMRW-QGZVFWFLSA-N 402.472 0.808 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 753662026 IDJFGNYPSHARFQ-AWEZNQCLSA-N 418.431 0.205 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCS(=O)(=O)C1 754809161 BWOVVVVXMOUWLN-OCCSQVGLSA-N 413.521 0.443 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CCc2nc(COC)nn2C1 757868584 NNPLCIXJIKEXSW-ZDUSSCGKSA-N 401.398 0.645 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(-c3cccnc3)c2)c1=O 758078787 AALYFCXCWFNTQR-UHFFFAOYSA-N 400.463 0.854 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(C)cc2C)c1=O 758079946 WWOSETCMXRTELC-MRXNPFEDSA-N 409.511 0.814 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 765566648 NHDVRSHFMGSWST-LBPRGKRZSA-N 408.480 0.961 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(C)(C)C)c(=O)n1CC=C 769639191 LXWBNIQYYUFSEA-UHFFFAOYSA-N 411.531 0.932 30 20 HCED COC(=O)CCN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 775575080 GFEGREVNBSCTAC-CQSZACIVSA-N 422.507 0.211 30 20 HCED N#Cc1cc(Cl)ccc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 775620849 TYBCRYUCOOUSMH-INIZCTEOSA-N 417.940 0.846 30 20 HCED C#C[C@H](N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCCO1 775794759 SOSNEOGILCAAOH-IHPCNDPISA-N 419.547 0.987 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@H]1CCCO1 775806955 PCFPCGSPNMCNIA-QZTJIDSGSA-N 409.483 0.429 30 20 HCED CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782371031 WOAZFAXMHJEPKR-UHFFFAOYSA-N 401.404 0.962 30 20 HCED Cc1nc(CN2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)oc1C 787758307 YFBHRADBCBFTJP-UHFFFAOYSA-N 411.466 0.431 30 20 HCED CC(=O)N[C@@](C)(C(=O)O[C@H](C)C(=O)N(C)CCC#N)c1ccc(S(C)(=O)=O)cc1 797514260 AYDORPIYXDRYCL-BFUOFWGJSA-N 423.491 0.745 30 20 HCED CCOC(=O)C(C)(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 798636923 KEQNJZZOHJXBPP-LBPRGKRZSA-N 410.448 0.927 30 20 HCED Cn1ncc(-c2csc(=Nc3ccc(C(N)=O)cc3)n2CCn2cnc(C#N)n2)n1 803194530 PVRQRVZRHGXFLB-UHFFFAOYSA-N 420.462 0.840 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)nc1 804004334 JQTXMNOATVRQRZ-QGZVFWFLSA-N 406.446 0.399 30 20 HCED COC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 805075706 BYSKBVMOSBGYRJ-UHFFFAOYSA-N 402.270 0.800 30 20 HCED C[C@H](C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)n1ccc2ccccc2c1=O 805881381 VOROIISPGYHRRF-CZUORRHYSA-N 401.444 0.528 30 20 HCED C[C@@H](CC(=O)NCCCN(C)CCN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 811543302 XWPPPANSPPYSCH-HNNXBMFYSA-N 409.556 0.503 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)ccc2OC)c1=O 812273964 PHFVPHYNSGXPAW-UHFFFAOYSA-N 417.462 0.486 30 20 HCED C#CCN(C)c1cnc(-c2noc(Cn3cc(Br)c(O)nc3=O)n2)cn1 813343158 BSGGOKOAZFQTBZ-UHFFFAOYSA-N 418.211 0.669 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c1 815688494 BXYRVZPQVIYMMY-SXIITFKMSA-N 420.491 0.135 30 20 HCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C)c3)c2=O)cc1 839268193 YFQXVNBRNWASJT-UHFFFAOYSA-N 409.471 0.280 30 20 HCED CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918242774 DQXCJPTXCLGEHM-FLLWUHORSA-N 423.495 0.079 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cn1 919129402 QNRKHQGQBRVVFF-UHFFFAOYSA-N 411.827 0.405 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCS(C)(=O)=O 919845211 XDJOBLSJGUKSDV-ZDUSSCGKSA-N 401.510 0.301 30 20 HCED CC(C)NC(=O)CN(C)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 920477650 FFHVHJAEGVAWMT-XLNRJJMWSA-N 423.539 0.894 30 20 HCED CCOC(=O)C1=C(Cn2cnc(C#N)cc2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 1189601490 OORFUMDNBRIFHW-GOSISDBHSA-N 409.402 0.995 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1288526194 SPEKLLQMPBLYRZ-OLZOCXBDSA-N 404.500 0.505 30 20 HCED Cn1ccnc1[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)CO 1299964260 LGMOGNIYCKXTPR-MRXNPFEDSA-N 405.480 0.446 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1303771195 JNNQDAQDBAIIMQ-KUHUBIRLSA-N 419.507 0.837 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1314531795 XKZZCNHNZSJWIG-ZDUSSCGKSA-N 404.496 0.952 30 20 HCED COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1315119022 SPFVRFRADQKOAB-UHFFFAOYSA-N 407.438 0.882 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)CCO1 1316540864 OQVNLCKIJHEHGE-CVEARBPZSA-N 402.480 0.547 30 20 HCED Cc1ccc(NC(=O)Cn2ccc(C#N)cc2=O)cc1S(=O)(=O)N1CCOCC1 1459176338 KPLJGTPOAIPHMY-UHFFFAOYSA-N 416.459 0.688 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1539804050 QEARLRIBABKILO-ZDUSSCGKSA-N 401.920 0.895 30 20 HCED CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC(F)F)CCOC1 1547861930 VUJLAZYSZYONAZ-SJCJKPOMSA-N 400.430 0.907 30 20 HCED CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@](O)(CC#N)C2)c1 1557187356 KYUHLJSSOYTGNL-CQSZACIVSA-N 402.270 0.848 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(C)(=O)=O 1614028989 WGMTYRPWTVOWOP-CYBMUJFWSA-N 404.500 0.262 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC1 1690994084 VOTJWEVYTZRYSY-MRXNPFEDSA-N 401.515 0.975 30 20 HCED CN(c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C)[C@@H]1CCS(=O)(=O)C1 1768544899 NNFUQMPBNFFTFO-OAHLLOKOSA-N 412.479 0.617 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1778970117 XWUFAIFNVGUAKD-LAUBAEHRSA-N 404.511 0.756 30 20 HCED CNC(=S)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1779040549 XTAAIOMHCRFALN-HXUWFJFHSA-N 415.519 0.486 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CS[C@@H]2CCCCO2)C1 1779410587 JTNJKQKOFSHPDL-CDHQVMDDSA-N 424.519 0.848 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779521295 LULUNNPYLZZUDX-BFUOFWGJSA-N 404.423 0.209 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779521298 LULUNNPYLZZUDX-YJYMSZOUSA-N 404.423 0.209 30 20 HCED Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)n[nH]1 1780263945 LIBWUFNMVNDIPQ-NRFANRHFSA-N 400.479 0.860 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@@]3(CCN(C(=O)COCCO)C3)C2)cc1 1781313297 ULSAOVXTLVAVAP-OAQYLSRUSA-N 401.463 0.330 30 20 HCED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781396389 LZQZZYKASOHNIM-KBXCAEBGSA-N 413.544 0.101 30 20 HCED Cc1cccn2ncc(C(=O)NC[C@@]34CCCO[C@@H]3CCN(C(=O)C#CC(=O)O)C4)c12 1781414966 HTLUZHICKMTBMY-VGOFRKELSA-N 424.457 0.858 30 20 HCED N#Cc1cc(C(=O)N2CC[C@]3(CN(C(=O)CN)CCO3)C2)ccc1Br 1781902487 LTYXCIBIFPHPLD-KRWDZBQOSA-N 407.268 0.723 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781966293 CSCHPKGNFSRGSX-RNODOKPDSA-N 402.426 0.665 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782564106 HDWOECOQVZSEAJ-KUHUBIRLSA-N 407.540 0.480 30 20 HCED NC(=O)CCC(=O)N1CC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1783152957 YIHOYZUAXMRRIW-MEDHRJKHSA-N 405.476 0.582 30 20 HCED CC(=O)NCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C#N)ccc1F)CCO2 1783191661 KFERBLQOBRSHDM-HXUWFJFHSA-N 402.426 0.667 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C)cn3)C[C@@H]21 1783530387 WQNVZTUFAATVBW-SAWCTPMISA-N 412.490 0.842 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C)ccn3)C[C@@H]21 1783530977 ARVWLPFOIKMOLX-TYEGUXDJSA-N 412.490 0.842 30 20 HCED COC(=O)c1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1783568068 LNKKTSMZJKXFNC-NRFANRHFSA-N 414.414 0.313 30 20 HCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCN(C)C3)CCO2 1783908289 GBMJFKMCZDAONU-QFIPXVFZSA-N 413.522 0.966 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(CN(C(=O)CCC(N)=O)CCO2)C1 1785382923 GKPOANREEFEZIE-HXUWFJFHSA-N 400.435 0.032 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1785450654 VRHIVEXBAHDUDA-KNBMTAEXSA-N 410.515 0.922 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1788603245 LJBPRYWAAIIKLA-IWDKLMIJSA-N 415.494 0.385 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)N3CCN(C)CC3)[C@H]2C1 1789797176 JBRNOXZROXHSBO-VJANTYMQSA-N 424.611 0.521 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccc(F)c34)[C@H]2C1 1790520539 MQVQBXAGYXWBRV-NOLJZWGESA-N 414.393 0.155 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1oc(C)nc1C)C2 1792490089 LEIULXXZIAOPKM-ZBMGOPDBSA-N 402.451 0.353 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1793343238 PRGHGJIZNIAWSM-ZXFNITATSA-N 416.434 0.540 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(-c3ccccn3)[nH]n1)C2 1793345320 SBFXXFCNMUYPKH-IHSNIMORSA-N 423.473 0.713 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccccc1OC)C2 1793347876 MFJJJGMJTQOOLY-JWVYWZTKSA-N 400.475 0.866 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(=O)n1O)C2 1793348826 JNKWQXAXVZKWKD-CCWDJLKJSA-N 405.451 0.272 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc3c(c1)CNC3=O)C2 1793357822 BFGLIOLSXAYJGE-UEILYKACSA-N 413.474 0.724 30 20 HCED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3n(n1)CCCNC3=O)C2 1793580623 OSGUXMTYBHKFKR-LVQVYYBASA-N 415.494 0.860 30 20 HCED Cc1nnc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)o1 1795790307 VONNMYIDNBEDDX-CWPLJXCYSA-N 416.478 0.209 30 20 HCED Cc1noc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(C#N)ccc2F)C3)n1 1795817895 YZQOOHAAIWRXBE-HBCWATKFSA-N 413.409 0.835 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795847594 SEZZYUVNTYIJCK-ZXFNITATSA-N 420.466 0.400 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2ccnn2)c1 1795894339 ICMOPFRESWCUJO-XUMLPFHTSA-N 408.462 0.809 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCC2 1797441190 KLVSHVJWYOVRAP-WTLGNFPFSA-N 416.522 0.996 30 20 HCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc[nH]n1)C2 1797783935 ZYQXBSIIFYDWDX-CWPLJXCYSA-N 400.479 0.240 30 20 HCED Nc1n[nH]c(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)/C=N/O[C@H]2CCCCO2)C3)n1 1798309356 MEGBDUZSYNCECU-ILOFUKEMSA-N 419.486 0.487 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(CC)n(C)n1 1798318774 BTQACEUMBDFKDO-BBVDOIIUSA-N 415.494 0.044 30 20 HCED O=C(COc1cccnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/N1CCCCC1 1798434859 JTPSPSHSVQAXMI-UZQYCHAOSA-N 400.483 0.965 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1 1799049805 CTXUDGDQHQISNO-YTHJTJSOSA-N 423.510 0.852 30 20 HCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)N1CCN(C)CC1 1799181795 ROTYDIPIDRECIA-JCECYMMASA-N 412.600 0.166 30 20 HCED O=C(COCCO)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1799335962 ZTYBJQYIPVWKFQ-CWPLJXCYSA-N 406.866 0.290 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccccc1C(N)=O 1799623089 MBYNPSKWMKHJTK-ZXFNITATSA-N 401.463 0.580 30 20 HCED COc1nccnc1C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1804982457 OJKUCZPVEKMCSK-KSSFIOAISA-N 409.402 0.288 30 20 HCED CC(C)n1cnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)n1 1808715917 GLTKOPUNDCJRNC-YJBOKZPZSA-N 410.434 0.662 30 20 HCED C=CCC(=O)N1CC[C@@H](CNC(=O)CN2CCN(C(C)=O)CC2)[C@@H]1c1cccnc1 1809680097 URAFLNKHRAYCDZ-UGKGYDQZSA-N 413.522 0.828 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CS(=O)(=O)CC)n[nH]1 1815171611 ZDEUYEWXKGEAFZ-UKRRQHHQSA-N 410.496 0.875 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc3n(n2)CCCO3)n[nH]1 1819091241 REVIIPDBMGYPBW-CQSZACIVSA-N 412.406 0.783 30 20 HCED N#CC1(C(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](O)N3CCOCC3)n[nH]2)CC1 1819443704 HXMIGGNIMKCDGZ-WMLDXEAASA-N 402.455 0.356 30 20 HCED O=C(O)C#CC(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(=O)Nc2cccnc2)[nH]n1 1822200274 DDIPCNAHKABASN-AWEZNQCLSA-N 410.390 0.524 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200637 OBBDBNNIFOUKAH-AWEZNQCLSA-N 400.439 0.772 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3nccn3)sc2C1 1823112136 MCZSSDVOIAROQE-GFCCVEGCSA-N 416.511 0.629 30 20 HCED C[C@@H](Cn1cccn1)C(=O)N[C@@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825663930 MSCJJPRJALKKKX-NWDGAFQWSA-N 401.448 0.676 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CC(F)(F)C(=O)O)C3)C2)C1 1829668209 JGPXEWRIJDTEIY-KRWDZBQOSA-N 402.394 0.519 30 20 HCED CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)COC1 1830034821 IZPIZCDYGJYCIB-JOCHJYFZSA-N 413.474 0.859 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1830058014 PLAWKAACXZXLJF-FQEVSTJZSA-N 412.450 0.578 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@@H]1COc3ccccc3O1)CCO2 1831235833 YMJXELFTVFNVAJ-IERDGZPVSA-N 400.431 0.306 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1831398453 CCFZCOXUGJDYHV-BTYIYWSLSA-N 420.437 0.640 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n(C)n1 1831485269 AVUOPDRKTXIJNV-QFBILLFUSA-N 410.540 0.753 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccnc4C(N)=O)CCO3)C2)C1 1833305078 PKEKNUAHEUZQNV-OAQYLSRUSA-N 414.462 0.217 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nccnc1OC)CCO2 1833502687 LATKJTIWDFYGGT-IBGZPJMESA-N 422.507 0.474 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(N(C)C)cn1)CCO2 1833649900 CQDJOTLNWDMEKC-NRFANRHFSA-N 400.479 0.631 30 20 HCED Cc1nn(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1F 1833702021 HVWYPBOOMICVBJ-HXUWFJFHSA-N 404.442 0.351 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 1833705294 WZZFZVZYLUMXST-UHFFFAOYSA-N 407.544 0.164 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)nc3)CCO2)C1 1833813545 MGAKESDXYWRGLS-LAUBAEHRSA-N 418.494 0.428 30 20 HCED C[C@@H](Cn1cccn1)C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833890457 ZBLMTGYZGJJNNM-INIZCTEOSA-N 415.494 0.179 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)c1nccs1)CCO2 1834435392 QXIJTOGOYCZPMT-LKQKOTCASA-N 418.475 0.925 30 20 HCED O=C(Cn1ccccc1=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1834820682 FYVUUHDCWWWKQG-UHFFFAOYSA-N 410.518 0.833 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cnc5ccccc54)C3)C2)CC1 1835347881 IUFNJXOCMUPETN-JOCHJYFZSA-N 423.473 0.796 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836030155 PVSZAOBDOLKOPN-IIBYNOLFSA-N 421.469 0.811 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)ccc2c1OCCO2 1836460864 MKZWFLFCTAJJPM-NRFANRHFSA-N 415.446 0.750 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC(=O)N3)C2)C1 1837306305 ZUQYXIKYMPNQHK-CBGDNZLLSA-N 405.495 0.490 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(Br)cn1)CCO2 1837828514 AGVUHLJNMNDGMA-KRWDZBQOSA-N 423.267 0.828 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3cncn3)CC2)CC1 1837964014 HLDYGQNNLIOBLZ-GOSISDBHSA-N 419.526 0.850 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cncnc4)C3)C2)c1 1838735889 ACLRBXXPTPVTIS-OAQYLSRUSA-N 424.461 0.379 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838763794 PBQCWZDJYLDYMS-HNNXBMFYSA-N 416.360 0.197 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@]1(C)C[C@@H]1C)CCO2 1839085660 KFTTZUNSAGACKV-YIFQQLMTSA-N 405.495 0.347 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(C3)C4)C2)C1 1839175913 LASNMIDVOBQNOW-VYHPPPRESA-N 406.479 0.752 30 20 HCED CC(=O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1839186391 QGIROQCEFAGSDT-FQEVSTJZSA-N 403.410 0.285 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)CC1 1839762338 HLGDDYVMANJPPT-SUMWQHHRSA-N 400.497 0.104 30 20 HCED C[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1840020856 OWHMTPJIMMUZPK-MGPUTAFESA-N 406.866 0.529 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](F)c3ccccc3)C2)C1 1840041159 VSNUBFLBEFNQKM-QUCCMNQESA-N 404.394 0.242 30 20 HCED COc1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)c(F)c1 1840158707 PDGPKBYXTXWELZ-KZULUSFZSA-N 413.471 0.618 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)CCn1ccnn1)CCO2 1840446940 QFDMDDBXDHLHDB-JOCHJYFZSA-N 423.473 0.176 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C1=COCC1)CCO2 1840561539 PBHBAKLAQISVIS-JLDPKJTDSA-N 406.483 0.219 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN(C)C(C)C)CCO2)C1 1840566571 DYKIUXAYWPXXJI-XLIONFOSSA-N 412.531 0.584 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@@H](C(=O)OC)C2)C1 1841340067 QTQZOFSRGMOBAE-ZJBFNYKTSA-N 403.479 0.638 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C2 1841606959 LDOFHYTWIGHBOK-GJZGRUSLSA-N 411.499 0.667 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cnnn2)C1 1843082983 WJXATBKIQOJLGT-CQSZACIVSA-N 419.486 0.346 30 20 HCED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1845759664 HEKGHDVOIIJNCZ-XYHOIZSOSA-N 411.528 0.203 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)COc2ccc(O)nn2)C1 1845772337 FDRMBKIPJRXTGG-HGMDMCOWSA-N 419.438 0.293 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845989580 FYTVPZLBZHGVKC-HNNXBMFYSA-N 408.499 0.795 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(=O)N(C)C 1847940030 MQECNYRROSRSKW-ILXRZTDVSA-N 408.499 0.746 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 409533150 BPRMBEFMERRVRJ-GFCCVEGCSA-N 419.529 0.324 30 20 HCED C=C[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 426848394 NTPVRCKQVSOTFV-DGCLKSJQSA-N 423.413 0.281 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1C 432727641 HKYMFVAIITWRLF-UHFFFAOYSA-N 402.838 0.916 30 20 HCED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4ccc(C#N)cc4F)CC3)ncnc21 433514086 YFAWMQRKVNNBPE-UHFFFAOYSA-N 408.397 0.661 30 20 HCED C[C@H](CC#N)N(C)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 439320185 IPOJUBCCTNQCFW-OAHLLOKOSA-N 401.467 0.448 30 20 HCED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443313869 BHGRWZJVNJIWBX-UHFFFAOYSA-N 414.340 0.713 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 444514364 KKRPJODNTVIEFI-UHFFFAOYSA-N 421.379 1.097 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 446797598 YRPIUMAJALRKAJ-UHFFFAOYSA-N 407.396 1.570 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1c[nH]nc1-c1nccs1 447229051 GDPNKZRVUHZDOF-UHFFFAOYSA-N 403.468 0.546 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCn1cnc2ccccc21 460613665 JINUGAQZTMHLFW-UHFFFAOYSA-N 414.429 1.552 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)C2)n1 471765331 CVQQWJKCPRCNDX-GCKMJXCFSA-N 410.478 0.973 30 20 HCED C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncnn1C 474879368 CFVDRSACIIYNTE-ZDUSSCGKSA-N 402.480 0.965 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2=O)cn1 475933827 UCLGIQLMUBLLBQ-MSOLQXFVSA-N 406.446 0.704 30 20 HCED Cc1cc(NC(=O)CN2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)no1 477074002 WLXUNAKLMJLUSX-QGZVFWFLSA-N 422.445 0.743 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)s2)c1=O 477449114 UCCFAUYMXLKIRM-UHFFFAOYSA-N 405.501 0.432 30 20 HCED CCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478854900 YZMOHPBLWFWFBU-CQSZACIVSA-N 400.504 0.942 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480215085 PBVKELRVTXTJEV-UHFFFAOYSA-N 411.483 0.895 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OC 481775031 DDVFZPYRDOWQJF-PBHICJAKSA-N 416.430 0.936 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(N)=O)Cc1ccccc1 482151465 STVIZPKRVVKOKX-CQSZACIVSA-N 400.460 0.739 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 484622322 PXDPJEVBYCZRAN-HUUCEWRRSA-N 407.471 0.118 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 485740029 VJPQNIRFXMIWJY-SJLPKXTDSA-N 418.519 0.679 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486479039 BPFMFDDXNWEMPN-XLIONFOSSA-N 412.538 0.984 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(S(N)(=O)=O)c1 503184657 JJYMICCWMMMBFK-LBPRGKRZSA-N 422.488 0.361 30 20 HCED CC1(C)CN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 505420432 IDABZGLWLANZTC-KRWDZBQOSA-N 413.478 0.990 30 20 HCED CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 506686147 IJKFXPCHOKULNS-CJNGLKHVSA-N 402.480 0.774 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 506736757 HKPQAYJWEGHQDS-KBPBESRZSA-N 408.480 0.730 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)n1 511781076 ZUUHRXKZFQCMDR-ZDUSSCGKSA-N 422.511 0.595 30 20 HCED CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)NCC(=O)NCC#N 511922604 MDUZEKAWRGRLHF-UHFFFAOYSA-N 406.244 0.811 30 20 HCED CCCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC(=O)N(C)C1=O 513944628 PNSRGJSAAQIDHR-HNNXBMFYSA-N 406.464 0.175 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513977745 YKADDGKBKDHCDX-ZYKCCNLVSA-N 402.476 0.024 30 20 HCED C=CCN1CCC(NC(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 522985857 QLOPLSWCDBPPEB-AWEZNQCLSA-N 423.539 0.871 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 523984002 BKVSUDBCRPQEFF-UHFFFAOYSA-N 413.459 0.644 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)CC2)c1C#N 530407736 JMGWVWKZIAUXRM-HUUCEWRRSA-N 408.528 0.788 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)n(CCC#N)n1 532563838 NCKFUOGACPONQG-AWEZNQCLSA-N 422.453 0.219 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)n1 538080766 XITFMYVQEMPLQY-INIZCTEOSA-N 424.509 0.996 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 540289976 BPINQPVHBLBTCW-UHFFFAOYSA-N 401.467 0.716 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1Br 540790594 WZNDDLFQRSAUPN-UHFFFAOYSA-N 400.229 0.823 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(CCS(N)(=O)=O)CC3)n2)c(F)c1 542034692 KSIGZKOOVXIFSR-UHFFFAOYSA-N 421.458 0.321 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 542343008 KNUAXRFHDWDRLS-CQSZACIVSA-N 424.479 0.062 30 20 HCED C=CCNS(=O)(=O)c1cc(-c2nc(-c3ncn(CC(N)=O)n3)no2)ccc1F 545085798 HIFMBOCXSSWLMR-UHFFFAOYSA-N 407.387 0.084 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(OC)c(OC)c2OC)C1=O 550985301 SWLJXIXJDBLENV-AWEZNQCLSA-N 405.451 0.574 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 554519715 CWFRFNHTGOETDF-UHFFFAOYSA-N 410.496 0.355 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 556501589 VMRYMTAHXOCEBD-LJQANCHMSA-N 413.522 0.807 30 20 HCED C=CCSCCNC(=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 557063852 ASHHEYRMZRATPS-UHFFFAOYSA-N 405.929 0.770 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)C2)nc1 559987721 ZKFNGSCYWNOZDA-ZDUSSCGKSA-N 419.401 0.547 30 20 HCED Cn1cc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)cn1 564466649 KENDZANXYROYNV-CQSZACIVSA-N 419.449 0.596 30 20 HCED CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)S1(=O)=O 567575498 LPBBBIREDNGQTA-UMVBOHGHSA-N 413.521 0.649 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 573955740 YHFBVHIDRHHVPZ-LSDHHAIUSA-N 419.438 0.318 30 20 HCED CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1c1ncc[nH]1 580655261 CFQQUDTWVQGCHW-MRXNPFEDSA-N 402.480 0.465 30 20 HCED N#Cc1cc(N2CC[C@@H](CC(N)=O)C2)cc(N2CC[C@H](CC(N)=O)C2)c1[N+](=O)[O-] 588855941 UWNSRKDOLLWAOD-QWHCGFSZSA-N 400.439 0.870 30 20 HCED C=CCc1ccc(OCC(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c(OC)c1 593852030 GPPVUJDRRQXBIJ-UHFFFAOYSA-N 403.479 1.000 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCOC1 603854797 VPNAAXVVQNVLMR-KRWDZBQOSA-N 420.535 0.750 30 20 HCED N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCO1 609283010 LWHXQIFIDPLPCF-JKSUJKDBSA-N 408.480 0.578 30 20 HCED CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)c1C 728557245 HDJVFIZOWISXTD-UHFFFAOYSA-N 414.531 0.949 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc1 729009878 GINGTYVSLPBWMZ-CVEARBPZSA-N 406.460 0.414 30 20 HCED COc1ccccc1N1C[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CC1=O 732910031 JPESOFHFEDUCCJ-KBPBESRZSA-N 419.459 0.014 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)CC1 733149275 DDDCWWSMZTVSPN-UHFFFAOYSA-N 412.490 0.840 30 20 HCED C[C@@H]([C@@H](C)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 733276159 QIDBJBBLPJDVNP-NEPJUHHUSA-N 401.510 0.395 30 20 HCED CC(C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 737304548 KKRMDNPQCDCAAM-NDWLXSOOSA-N 424.523 0.961 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2scnc2C)c1=O 743726216 IYBYZEKXHBJECC-UHFFFAOYSA-N 404.517 0.493 30 20 HCED CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 749627849 LCTTZDCPNXSUMI-UHFFFAOYSA-N 416.463 0.882 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)cc1C#N 752393914 SQOSDAXCPBNIBI-CYBMUJFWSA-N 403.439 0.902 30 20 HCED C#CCOCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 753238405 GYCHUWOVKFJVJT-HNNXBMFYSA-N 400.884 0.639 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O 759231307 LKKOCHBFWPXPOY-GFCCVEGCSA-N 424.417 0.843 30 20 HCED COc1cccc([C@H](O)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763399658 FMMFYNZHAUFDBH-QGZVFWFLSA-N 406.402 0.936 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cc(C)oc2C)c1=O 767958000 ITUPNMZKZYAHEL-UHFFFAOYSA-N 424.526 0.420 30 20 HCED CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2=O 769076631 JKPUWEBJRKIURH-APHAIJBRSA-N 417.466 0.520 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770656719 NAORZGQEMJSBCT-UHFFFAOYSA-N 400.416 0.890 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 770834701 QAGUSRPBOKQHIK-UCLAIMLFSA-N 417.487 0.826 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 771471895 SOHPNNYBRSTCLB-KBPBESRZSA-N 423.495 0.821 30 20 HCED CC(=O)CCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772370181 QTMKMVVHTCUQDC-UHFFFAOYSA-N 421.475 0.694 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1[C@H]1CCCCC1=O)c1cc[nH]n1 772429874 CVDXLNSEMRPOEO-HIFRSBDPSA-N 406.439 0.680 30 20 HCED C#C[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H]1CCCO1 772890775 RZOBRGIVQLSOQQ-MOPGFXCFSA-N 405.520 0.744 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)[C@H]1CCCO1 773799015 QAVXQIYGEJAJDB-MAUKXSAKSA-N 415.446 0.403 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)[C@H]1CCCO1 773802321 ZSTNYEXWSVVRTH-UKRRQHHQSA-N 409.464 0.692 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(NC(=O)C2CC2)ccc1C)[C@H]1CCS(=O)(=O)C1 783479857 GMBSAUMBCQZBET-INIZCTEOSA-N 417.487 0.931 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 783480816 VBKIQGBEAXSCEN-YOEHRIQHSA-N 420.487 0.626 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 783541588 IHWIYBROJUWZAS-MCIONIFRSA-N 402.538 0.610 30 20 HCED COC[C@@H](C#N)OC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 783695556 VJMBBPMDSMUSDL-GFCCVEGCSA-N 421.431 0.657 30 20 HCED CN(CC(=O)OCC(=O)NC1(C#N)CCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 784228201 GRXKOZDBBRRKML-UHFFFAOYSA-N 410.408 0.321 30 20 HCED Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(C#N)c1 784602919 BXGLTJOQJBJLED-UKRRQHHQSA-N 416.459 0.901 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCC2(O)CCC2)c1 793107794 CQUASQSLYVPYPK-JWGURIENSA-N 422.507 0.859 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cncc(-n4ccnn4)c3)CC2)o1 801889443 KVZDVBVVRJMWRB-UHFFFAOYSA-N 422.405 0.336 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1)[C@H]1CCCO1 804119709 JPDBDWLPCIFVIC-AZUAARDMSA-N 412.490 0.268 30 20 HCED COC(=O)N1CCC(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 804684157 QVKKYVWSJXRNDI-ZDUSSCGKSA-N 408.480 0.820 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@@H]1CCCO1 809306342 PMHJFAAKIKTNRV-WMZOPIPTSA-N 422.489 0.153 30 20 HCED CCOC(=O)N(C)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 810321607 FIEASAHMSVTIGF-UHFFFAOYSA-N 408.480 0.916 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cn[nH]c2)c1 810446647 WRVZGSHPEUIEQY-KQWNVCNZSA-N 418.479 0.520 30 20 HCED C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO2)CC1 812252489 XUDZXMMALXHLAI-INIZCTEOSA-N 402.499 0.561 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273727 HQFBRXRTFSEJBV-UHFFFAOYSA-N 419.457 0.892 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 813039287 LIETZBBSTVURFH-HNNXBMFYSA-N 409.377 0.201 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C3CCC3)c2=O)cn1 814251050 CNTCSXNQKLSNPB-UHFFFAOYSA-N 411.487 0.294 30 20 HCED N#C[C@@H](C(=O)CN1CCCCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 815911809 PKEVBASLUUMUGB-KRWDZBQOSA-N 413.434 0.965 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 915545064 JYYODPXPFDKDBL-UHFFFAOYSA-N 402.444 0.992 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1c(C)c(C)nn(C)c1=O 999062888 LGTXDIRIKURLIQ-NRKLIOEPSA-N 400.479 0.850 30 20 HCED N#Cc1ccccc1S(=O)(=O)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 1116328100 VGVUUYFDDIZVPG-UHFFFAOYSA-N 401.448 0.932 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccc(F)cc1 1137537048 GBSSZPZPKKFHSI-ZDUSSCGKSA-N 418.454 0.503 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1288525804 QGOMYAJXYGKCLC-OLZOCXBDSA-N 403.530 0.353 30 20 HCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)[C@H](C)C1 1301721205 GSNZORZLRRFNCZ-ZHRRBRCNSA-N 423.521 0.940 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318598037 BYGGMXHAECOSTJ-KRWDZBQOSA-N 411.462 0.108 30 20 HCED COCCCNC(=O)C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1321858166 RZPUBGDXKXFTGR-UHFFFAOYSA-N 421.519 0.864 30 20 HCED CNS(=O)(=O)c1cccc([C@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1323407521 PKHGHCLTNSDASN-HNAMICAMSA-N 406.464 0.688 30 20 HCED N#CCc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1330678470 QGCUQLSMFMWAPA-UHFFFAOYSA-N 414.491 0.560 30 20 HCED C=C[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1342730088 UGGDFMURUWFVSL-TZMCWYRMSA-N 417.509 0.475 30 20 HCED Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1492200851 IITUJBHDZZQFNF-FQEVSTJZSA-N 413.457 0.898 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)cc1OC 1504203709 UAHYRKKCPQNBAL-FOIQADDNSA-N 415.450 0.842 30 20 HCED Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)s1 1511749737 LYOQMERYMZDMGC-OTYXRUKQSA-N 414.492 0.539 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CC1(O)CCS(=O)(=O)CC1 1521155665 ZYLXEXMDQVVTKD-MRXNPFEDSA-N 423.539 0.852 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1538701189 MGTDZQFMXVXFFG-KCPJHIHWSA-N 411.867 0.493 30 20 HCED C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1544554449 QKADAPVPFDUYJL-CYBMUJFWSA-N 402.480 0.528 30 20 HCED C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1644034027 LIQGSTUJOWJKFY-HNNXBMFYSA-N 418.397 0.395 30 20 HCED CN(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1696632394 LBMIRJGDIZFJJB-CYBMUJFWSA-N 409.516 0.251 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1727232240 QYNLEJRUHSZVCL-OAHLLOKOSA-N 417.514 0.971 30 20 HCED CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1729741433 SXSVTUKKGFFALD-INIZCTEOSA-N 404.496 0.839 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1730762748 KZIHOSJLLORFBZ-HZPDHXFCSA-N 411.528 0.973 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)n(C)c1=O 1730763693 YMODISXUFAICDJ-MRXNPFEDSA-N 413.482 0.651 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)C1 1770731560 NJMCRFJUKDZDRH-SFHVURJKSA-N 424.502 0.667 30 20 HCED COCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770982620 YTRBZEGJCIQETK-UZLBHIALSA-N 412.498 0.699 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1779063323 VSXYLVJGEKCRSA-JOCHJYFZSA-N 414.506 0.871 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)[C@H](C)S)CCO3)C2)n1 1779234806 BQLGZFGXQHRDMJ-LIRRHRJNSA-N 408.524 0.435 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(CCN(C(=O)C(C)(C)n3nc(C)ccc3=O)C2)C1 1779236267 PRTDWILSYPHFMK-QFIPXVFZSA-N 414.506 0.920 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)N3CCOCC3)CCO2)C1 1779241121 UGUCILNOEYQIBG-UTKZUKDTSA-N 409.527 0.459 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779285755 NBJXYAFLVUOQPC-AEWXRJQFSA-N 402.451 0.219 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-n4ccnc4)ccn3)C2)C1 1780384636 QSRXFZPRJRWWMA-VGSWGCGISA-N 423.473 0.749 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1781399959 GPIFIECCMOZWLK-KPZWWZAWSA-N 407.427 0.132 30 20 HCED CN1CCCn2nc(C(=O)N3CC[C@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2C1 1782560180 TUJDPFPZBPHMOW-QFIPXVFZSA-N 411.506 0.576 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NS(=O)(=O)CC)CCO2)C1 1783188720 BCZYHJMJMCVIFK-BBRMVZONSA-N 423.482 0.356 30 20 HCED COC(OC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)ccc3F)C[C@@H]21 1784291328 YRZOAPLWBJQGDO-QRTARXTBSA-N 405.426 0.910 30 20 HCED O=C(CCNC(=O)c1ccc[nH]1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21 1785246963 AGQDBRZVQKHSJK-LNLFQRSKSA-N 412.490 0.528 30 20 HCED C#CCO[C@H](C)C(=O)NC1(c2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)CCC1 1788051816 FFJRMPYXJQDFHJ-PBHICJAKSA-N 400.479 0.752 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C\C(=O)NC3CC3)[C@H]2C1)C(F)(F)F 1788496690 RYSDOAVTJMMYIQ-LUNJKUCFSA-N 415.412 0.919 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cc(C)on3)[C@H]2C1 1788671508 HNPBPGXEBPZDJG-MBGYTDRXSA-N 418.494 0.905 30 20 HCED COc1cc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(F)c1 1790105977 OPSWBKOCVAOFOC-RBOXIYTFSA-N 422.384 0.655 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCC(=O)NCCC 1793254027 HFVIPUBBGOFEAC-RCJHGTSTSA-N 409.527 0.456 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)c1cccc(Cl)c1)C2 1793342461 GRFMMGUWBMQJPC-DRACIFKTSA-N 419.909 0.968 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 1794310968 BAEMKHFMIVDBCC-JONQDZQNSA-N 419.482 0.391 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(OCF)cn1 1794407986 QMGUARODNZPQIL-VWPFQQQWSA-N 406.414 0.024 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCN1CCOCC1 1795469849 QGXAZKUKSOHITO-BMFAXAFESA-N 410.515 0.099 30 20 HCED C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1)C1(O)CCC1 1797809705 AGSNSTKAFSNYKJ-CEPVOSKYSA-N 423.510 0.656 30 20 HCED CN1CCCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797810476 TUZGXPOYISFUQA-PGJZLMOHSA-N 422.526 0.589 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)n1ccccc1=O 1797933013 FTZYYCNEUUIBEF-KMOPNRPKSA-N 401.463 0.037 30 20 HCED C=CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797982231 QUMUUISMVJYTQI-MPTYRVRUSA-N 418.494 0.719 30 20 HCED C[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccn2)[nH]n1 1798173781 WTAUOEUVFJEDSX-KOFHJDLBSA-N 401.492 0.993 30 20 HCED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)cc(OC)c1 1798574201 QMZBQXAOGLSTJG-XEMDLRDOSA-N 417.462 0.433 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnn3c1OCCC3)C2 1799397440 PLXUYCIRSMZPAP-PNBKFKSVSA-N 419.482 0.670 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1cc(C)cn1 1801339002 WHSALBPTWSZSRD-DFBDCSAJSA-N 404.511 0.915 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](Cc1cccc(F)c1)NC(C)=O 1802042600 HWPCKKZZVHXOSB-WQDJSCAQSA-N 401.438 0.096 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC2(CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)C1 1806007904 NKSUTUKFTWWWOL-JXFKEZNVSA-N 408.495 0.872 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807594550 AMOJGZYWTLBJSA-PKOBYXMFSA-N 424.509 0.661 30 20 HCED C=CCSCC(=O)N1CC[C@H](CNC(=O)C2=NNC(=O)C2)[C@H]1c1cccnc1 1810215142 HHERRMFEBNEPMV-RDTXWAMCSA-N 401.492 0.883 30 20 HCED N#Cc1cc(CC(=O)N2CCCC[C@H]2c2cc(NC(=O)[C@@H](N)CN)n[nH]2)ccc1F 1818015470 UEZDJCCHNFAWPR-RDJZCZTQSA-N 413.457 0.941 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnn1)CC2 1822922508 SCNVHSGDQPOBAM-LBPRGKRZSA-N 418.479 0.856 30 20 HCED N#CC1(C(=O)N[C@H]2CCc3nc(NC(=O)COc4ccc(O)nn4)sc3C2)CC1 1824557741 OBJAMGJKDQCQGH-JTQLQIEISA-N 414.447 0.933 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)c4ccco4)CCO3)C2)CCC1 1829832695 ZTUJIWPHMRZEBZ-OXQOHEQNSA-N 403.435 0.463 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)NC1)CCO2 1829960218 QTVAYCMEWOPRMN-UWJYYQICSA-N 405.495 0.163 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nonc4c3)C2)C1 1830056816 VLKHFXCTQKUWBH-HXUWFJFHSA-N 413.434 0.843 30 20 HCED COC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1831622779 GPJITSLMIZFXNC-JXFKEZNVSA-N 410.515 0.007 30 20 HCED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831628211 MKBSNQKSFVTLGV-SZSKVCQJSA-N 407.467 0.437 30 20 HCED CC[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)N(CC)CC 1831662376 VARZFZUINLTJCM-UGKGYDQZSA-N 405.539 0.977 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CCC(=O)N4CCCC4)CCO3)C2)C1 1832419449 MOUAKCZUKKEKEA-JOCHJYFZSA-N 419.522 0.812 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1832448225 SCUKSEGEVHTWRT-QFBILLFUSA-N 412.552 0.913 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cncnc4)CCO3)C2)cc1 1833121564 NZCWMPMFWJECCY-JOCHJYFZSA-N 421.457 0.661 30 20 HCED COc1ncc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)S)C3)C2)cc1F 1833487318 GOFAYZBKIMXXGO-KPZWWZAWSA-N 413.471 0.618 30 20 HCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)n[nH]1 1833820698 NEGHWMIMFINZBG-LJQANCHMSA-N 403.439 0.232 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(C)cn1)CCO2)C(F)(F)F 1834087196 FMBGXHDGLOCNTE-KRWDZBQOSA-N 414.384 0.974 30 20 HCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1)N1CCN(C)CC1 1834402315 IPPRTNQBJGAFEA-QGZVFWFLSA-N 404.559 0.108 30 20 HCED CCn1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1834408556 KEWNWQVCNXMFFN-HXUWFJFHSA-N 412.450 0.487 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1834585904 MIINPHDCOSHAQB-HSZRJFAPSA-N 421.453 0.909 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1ccccc1=O 1835344718 QZTRSOYKZNGNEJ-IIBYNOLFSA-N 414.462 0.169 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3N)CCO2)C1 1835621560 LHSCBAAPLUHSNJ-IFXJQAMLSA-N 408.455 0.226 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2)C(F)(F)F 1835846301 GENQFRYIUCTQQL-OAHLLOKOSA-N 420.413 0.914 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=O)OC)CC2)CC1 1836862715 VGRHSKVVMYIDJV-OAHLLOKOSA-N 409.483 0.379 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)no1 1837561425 KDDMNHXQWWSLAL-KQBANSRISA-N 416.434 0.765 30 20 HCED CN(C)C(=O)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1837812959 VQENUOUGVXSNAF-HYARGMPZSA-N 418.494 0.785 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc4c3OCO4)CCO2)C1 1838474592 JJSWMVNASWWOAR-HXUWFJFHSA-N 416.434 0.430 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839122788 DCLHDGSRMWUSDV-NSISKUIASA-N 410.515 0.386 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1839222102 CRXBKDBDSCNRHL-MDYRTPRTSA-N 423.466 0.570 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1839843279 WIPOUPVMRCMOPS-FZKQIMNGSA-N 407.427 0.600 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(F)c3F)C2)C1 1840043196 JLFQJARSFISZOR-IBGZPJMESA-N 408.357 0.123 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840107653 VIDWUZFVWCJPQU-OAQYLSRUSA-N 405.495 0.259 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cnc3O)C2)C1 1840155792 DGUILZUKLGPMEW-GTNSWQLSSA-N 415.899 0.829 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CSc3ncccn3)C2)C1 1840167273 HPKYBAPPRKOCLX-HXUWFJFHSA-N 418.519 0.829 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N3C[C@H]4C[C@@H]4C3)C2)C1 1840168296 GCIIGFOBUMMTCC-JZJXAQOMSA-N 403.523 0.587 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269074 LIHCAQWHOUBDOL-NTLWEQJWSA-N 410.511 0.585 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cccn1)CCO2 1840438361 ANYOLUPNHAJZKR-JTDSTZFVSA-N 410.540 0.855 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cncc(S(C)(=O)=O)c2)C1 1842189269 LSDINKGJQSGUPP-INIZCTEOSA-N 421.519 0.875 30 20 HCED CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)C2(C#N)CCC2)C3)c1 1842190161 ASWVBGWIBSTJQO-UHFFFAOYSA-N 402.476 0.996 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)c(O)n1 1842297042 MCVMOTYQLDLOLF-MRXNPFEDSA-N 415.494 0.316 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)ccc1F 1844296881 GWTRVBHHHJGECK-IBGZPJMESA-N 416.453 0.094 30 20 HCED N#CCCNC(=O)COC(=O)CNS(=O)(=O)c1cccc(Br)c1 10777991 DQBVCTXDVIMXGK-UHFFFAOYSA-N 404.242 0.300 30 20 HCED CCCCn1c(N)c(N(CCC(C)C)C(=O)Cn2cnc(C#N)n2)c(=O)[nH]c1=O 14143578 KHWMLBXGCCXHMI-UHFFFAOYSA-N 402.459 0.461 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)Nc2cccc(C)c2C)c1=O 45540992 DRHDUCDDUNZXHF-UHFFFAOYSA-N 413.434 0.509 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 50174922 VHCOPPKZEYYCER-ZDUSSCGKSA-N 413.386 0.790 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1=O 53270987 ATWRTDHZGLDREF-UHFFFAOYSA-N 414.466 0.534 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](S(N)(=O)=O)C3)C2=O)cc1 409666777 PGZLDLUPOZIPJX-HZPDHXFCSA-N 405.480 0.122 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)C1=O 410104749 KNGQEMBBTWRUOR-HNNXBMFYSA-N 412.537 0.611 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)CC1 429795364 ZDZYDOHWKIUMOE-IYFHLELXSA-N 406.556 0.218 30 20 HCED CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1 433890370 KARSXIKGLGZXJR-LBPRGKRZSA-N 402.270 0.846 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(c4cnc[nH]4)CC3)n2)cc1 435628555 UZZFMINFCFQOGZ-UHFFFAOYSA-N 404.434 1.266 30 20 HCED CCC[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 441588590 KCFMADGVZFNEJV-HNNXBMFYSA-N 414.853 1.463 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(C)c2C#N)CC1 441968912 LVNOQQKZIMEJGI-MRXNPFEDSA-N 408.524 0.714 30 20 HCED C=CCNC(=O)Cc1noc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 445332556 OMUJNDJVYRNOPC-UHFFFAOYSA-N 420.491 0.720 30 20 HCED Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)N=c2ncn(Cc3ccc(C#N)cc3)[nH]2)C1 447352882 CNGLJJQGRPUGEX-KRWDZBQOSA-N 418.461 0.698 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 462450938 KAJJTKCGJDCFAQ-UHFFFAOYSA-N 417.491 0.824 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 468878713 HSKRZLNZEYWXSP-CQSZACIVSA-N 400.508 0.825 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2cc(C#N)ccc2F)c1 474102564 AVJBZLDRPWRNJZ-UHFFFAOYSA-N 418.450 0.994 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CC[S@@](=O)C3)nnc12 474976990 ZWOQYLMTQPIIRC-BODITIBLSA-N 417.516 0.960 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 478980497 GJPRZPADFQRWLF-AWEZNQCLSA-N 424.479 0.110 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 481436649 NSSPPJSVMPCVGW-IUODEOHRSA-N 411.505 0.403 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 484632598 MPSJCZHVJXAKJW-UHFFFAOYSA-N 415.494 0.740 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 489916589 PZDJUNKDGKCTKC-CABCVRRESA-N 401.423 0.280 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCC(C(N)=O)CC2)cc1 490349226 NQLSEAZBPZXFBC-UHFFFAOYSA-N 422.507 0.592 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCCC)c2)CC1 491135096 AKRAEOGPVUVGKO-UHFFFAOYSA-N 415.494 0.211 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)CCC)c2)CC1 491146823 NFESTQMKXNIQKL-UHFFFAOYSA-N 415.494 0.810 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 498571731 RWKYRTMCMSFQQE-SFHVURJKSA-N 400.527 0.927 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1 507197037 SGFXXANJCVSXLW-STQMWFEESA-N 410.456 0.337 30 20 HCED CC[C@H](CCNS(=O)(=O)N(C)[C@H](C)CC#N)NS(=O)(=O)N(C)[C@H](C)CC#N 509428129 BKJRFGZPWYUTDO-RBSFLKMASA-N 422.577 0.292 30 20 HCED CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 530408776 PALWXVGSMMRVKZ-OAHLLOKOSA-N 424.527 0.242 30 20 HCED CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)C1 533086799 VYPOEMQZQGXVQV-HNNXBMFYSA-N 411.528 0.575 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1O 536371307 SZUYMSSELNLIKY-WBVHZDCISA-N 406.508 0.094 30 20 HCED CO[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 536598881 FZTIAQVUFJKXME-QGZVFWFLSA-N 406.508 0.502 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 536947745 OCODQBMPLFMUKM-MRXNPFEDSA-N 412.490 0.987 30 20 HCED COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1C 539772490 FNTGGTJNYGZCFN-HNNXBMFYSA-N 422.507 0.588 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCNC(=O)c1cccnc1 544169724 ZLVJZFKDTMSVOO-UHFFFAOYSA-N 411.418 0.463 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 546196085 GHDBQIGKETYJTI-UHFFFAOYSA-N 406.450 1.064 30 20 HCED CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc21 546905170 AOJPRHMTCVWSBB-UHFFFAOYSA-N 420.429 0.596 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1O 550652792 ADTBKCDEUKEZSY-QXAKKESOSA-N 405.495 0.617 30 20 HCED CCOc1cc(N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)ccc1[N+](=O)[O-] 558159132 NGYYBPSJACVEIM-UHFFFAOYSA-N 414.426 0.988 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)CC2)c(F)c1 561883608 PKMFZQQJYJISKE-HNNXBMFYSA-N 413.453 0.473 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCc3cnc(C4CC4)nc3)CC2)c1C#N 564165435 NJDMCCGOJWGJBB-UHFFFAOYSA-N 422.493 0.275 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)cc2)ccn1 570979669 HYNJHOFMSTWNDX-ZDUSSCGKSA-N 400.416 0.987 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cccc1C(N)=O 572945762 DOUSGVGIKPBYMF-UHFFFAOYSA-N 408.418 0.348 30 20 HCED CC(C)CC(=O)N1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 573886180 HCWGLXWLKPFPMO-UHFFFAOYSA-N 406.508 0.990 30 20 HCED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)Nc2ccc(C#N)cn2)cc1 578384924 RFJFXEUNFBSFSB-UHFFFAOYSA-N 401.448 0.637 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 578405693 MWSJXEBOVHOAFZ-UHFFFAOYSA-N 417.429 0.932 30 20 HCED CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 578816822 KUQQVHMLXPCNQQ-WWTSWKCXSA-N 417.535 0.798 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CCc1cccnc1 579905352 WVINPSOQJTYNRZ-UHFFFAOYSA-N 421.482 0.200 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)n(-c2ccc(C#N)cc2)n1 585760500 WNTKPJPIIJLLDA-JKSUJKDBSA-N 411.462 0.934 30 20 HCED COC(=O)C[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 588214910 YJUMBASULFSXEH-RTBURBONSA-N 418.469 0.798 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)C1=O 589920755 OSKSVKSAQSXSMY-KRWDZBQOSA-N 413.478 0.068 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 609038643 VANVFZHVLJSVTA-UHFFFAOYSA-N 417.494 0.748 30 20 HCED N#CCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 609597468 NRARVXPWROTDLI-UHFFFAOYSA-N 412.537 0.737 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 611365060 BABCPHSXZKNCLH-UHFFFAOYSA-N 401.467 0.540 30 20 HCED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(CCC#N)n1 615307303 ZITHFCMMBWJHTN-KRWDZBQOSA-N 420.433 0.391 30 20 HCED Cn1[nH]c(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)nc1=N 619578103 GFYCHHHCXUVVMW-UHFFFAOYSA-N 402.480 0.420 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCS(C)(=O)=O 729675277 YVWPVMCCTQCHIZ-UHFFFAOYSA-N 419.528 0.468 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 731976351 WIYQYGWACKYDJS-LJQANCHMSA-N 412.490 0.701 30 20 HCED Cc1c(CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1-c1ccccc1 732908262 ILJRLWITPYHQLU-OAHLLOKOSA-N 401.448 0.084 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN2C(=O)CNC2=O)c1 733624334 JAYSPXMXFWMBFQ-KGENOOAVSA-N 422.467 0.173 30 20 HCED COC(=O)[C@@H]1CC12CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 733789012 WOCKVGYBWNUVDW-AWEZNQCLSA-N 405.476 0.917 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1CCOC 739829688 INBGVEUAZRUUJL-UHFFFAOYSA-N 422.850 0.367 30 20 HCED COCCCNC(=O)CN(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742587363 AQEVKHUIEYSULM-CYBMUJFWSA-N 410.496 0.115 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O[C@@H](C)C(=O)NC(=O)NC 744594660 UFYOEDMTMVBUEZ-YUNKPMOVSA-N 414.418 0.539 30 20 HCED CCCNC(=O)NC(=O)COC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496577 NELUVZQFQFIKRN-LLVKDONJSA-N 410.452 0.283 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cn1 746403196 RPZYTULIMRQFKR-QGZVFWFLSA-N 416.869 0.876 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC(N(CC)S(C)(=O)=O)CC2)c1 749728192 MVSWGYAWBANHID-UHFFFAOYSA-N 407.492 0.910 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)C(=O)N(C2CCCCC2)C1=O 756874400 BVRIRYNOJBNEBB-AWEZNQCLSA-N 411.466 0.940 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CSCC(=O)N2CCOCC2)C1 756896073 YUTFBGLXYFSUNS-UONOGXRCSA-N 412.512 0.454 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccnn2C)c1=O 758050361 QYQDNVKVUDLHHL-UHFFFAOYSA-N 405.487 0.146 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 758058146 JWGOTMKWBSMYLP-UHFFFAOYSA-N 415.421 0.183 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2=O)cn1 758765617 ZDVGVJYWTLTNSE-UKRRQHHQSA-N 417.470 0.537 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)cc1 759618805 WPNCETLCWGQKHA-UHFFFAOYSA-N 406.464 0.082 30 20 HCED C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 761079477 FXQFCSOTLZGEMR-MRXNPFEDSA-N 405.524 0.027 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1 763437528 XUOMXJIGKPBKAO-OAHLLOKOSA-N 422.510 0.892 30 20 HCED CS(=O)(=O)[C@H]1CCCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 769732784 KDWQGINEMGHOIB-ZDUSSCGKSA-N 413.521 0.541 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 773412536 CZGHZYZYWHFFLV-KRWDZBQOSA-N 412.490 0.792 30 20 HCED CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CCO1 773856369 GWTIBIRCEJPFSG-ZDUSSCGKSA-N 406.443 0.487 30 20 HCED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 775913986 QSFFHLHJQHBJDZ-KRWDZBQOSA-N 411.436 0.316 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 782343259 VXWQWOIUHPJFAW-LNSITVRQSA-N 400.428 0.184 30 20 HCED COCCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)[C@H]1CCS(=O)(=O)C1 782959326 LAGSSVDLJXKRQN-ZDUSSCGKSA-N 413.427 0.329 30 20 HCED COc1cc(C=NNC(=S)NCCN2CCOCC2)ccc1OCCC(=O)O 783793726 BYXHJDXVVVPTMY-UHFFFAOYSA-N 410.496 0.679 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 785204358 WAHOEAFWVIJSGX-WYRIXSBYSA-N 402.382 0.271 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1C#N 785288161 XJZWWHWLCORWJP-HNNXBMFYSA-N 417.422 0.165 30 20 HCED CN(C[C@@H]1C[C@H](F)CN1S(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 790383178 CQFNXHZFWTXLEA-IHRRRGAJSA-N 406.480 0.735 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C1=O 793643660 GHJDABNDYCVRHD-HUUCEWRRSA-N 408.499 0.651 30 20 HCED N#CCCNC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 795045426 IQQHUBLQUAQDCL-UHFFFAOYSA-N 421.523 0.749 30 20 HCED CN(CCC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)C(=O)OCc1ccccc1 796711721 DXTACNQJADPALK-MRXNPFEDSA-N 421.475 0.611 30 20 HCED C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCOC2)CC1 802763583 ZHRYLUBSBVKXQW-QGZVFWFLSA-N 419.493 0.713 30 20 HCED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1=O 808541703 OREJHNGKZKKJKR-OAHLLOKOSA-N 422.445 0.412 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1)[C@H]1CCCO1 809307196 AIBJTIAIRUZQJY-QZTJIDSGSA-N 401.463 0.914 30 20 HCED C[C@@H]1CN(c2ccc(NC(=O)CN(CC#N)S(=O)(=O)N(C)C)cc2)C[C@@H](C)O1 810014772 CGHBTZVICRDNSW-HUUCEWRRSA-N 409.512 0.871 30 20 HCED C#CCCS(=O)(=O)NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 810785703 OKJXCVZUSWZCPE-CYBMUJFWSA-N 401.485 0.362 30 20 HCED NS(=O)(=O)c1cc(C=NNC(=S)NCCN2CCOCC2)ccc1Cl 814717454 WRSHKOJYBJUGBZ-UHFFFAOYSA-N 405.933 0.118 30 20 HCED CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 815803656 AEOZOHSZTKLKBJ-OAHLLOKOSA-N 400.370 0.437 30 20 HCED C[C@H](Cc1cnc2ccccc2n1)C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 815947216 TWJXGLIGPLQETJ-HIFRSBDPSA-N 400.460 0.774 30 20 HCED C#CCNS(=O)(=O)c1cccc(-c2nc(-c3c(O)nc(=O)n(C)c3C)no2)c1 904907560 YTGOQUAMVVSFNH-UHFFFAOYSA-N 401.404 0.423 30 20 HCED C=CCOc1cccnc1C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1O 1025741606 HMGMMZITAJTFMD-FXZJEQNSSA-N 401.463 0.763 30 20 HCED CS(=O)(=O)c1ccccc1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1177354655 VAZIYZNGFAXUAS-UHFFFAOYSA-N 421.500 0.599 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1 1217008279 OWVZVMZMCHHAFG-UHFFFAOYSA-N 421.461 0.783 30 20 HCED COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1300042207 WXNSFIHKRBJILH-QGZVFWFLSA-N 408.459 0.945 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCNC(=O)C(C)C 1301018029 SJSIXDXTLYQWJJ-LBPRGKRZSA-N 406.940 0.849 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1 1306855544 RJYUXOBZBLDIAR-ZDUSSCGKSA-N 404.414 0.979 30 20 HCED N#Cc1cccc(-c2nnc(CN[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)o2)c1 1322862063 LPYVCZMZZLPZAZ-CVEARBPZSA-N 403.464 0.196 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccn1 1360715992 ZCPLHPVODSMOIN-UKRRQHHQSA-N 405.484 0.255 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1474797849 MEHPMJOHRYVMEL-UHFFFAOYSA-N 408.299 0.587 30 20 HCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1552734742 OOICSKRAWYMQLA-HXUWFJFHSA-N 411.466 0.519 30 20 HCED CC(=O)N1CCN(c2ccccc2CNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1631864529 ZOVSGWWLHQEZEH-UHFFFAOYSA-N 424.461 0.196 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](N4CCCC4=O)CC3)CC2)o1 1658993699 UEMYOIPGSVPJMH-KRWDZBQOSA-N 414.510 0.980 30 20 HCED CCOC(=O)c1c(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)n[nH]c1C 1665326681 LDKPJONJXIMDRZ-UHFFFAOYSA-N 404.452 0.672 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2COCCO2)C1 1698482846 LUNGQUAVXDWFAJ-UGSOOPFHSA-N 401.402 0.783 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(C#N)C1 1710900756 YWPQKGDOPGAISL-KRWDZBQOSA-N 404.500 0.804 30 20 HCED CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN(CC)S(C)(=O)=O 1729023083 NZROCEOVUWGFJN-INIZCTEOSA-N 402.496 0.928 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC 1729624956 PMMNJRZNWIEIGP-CYBMUJFWSA-N 419.511 0.184 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)C1 1771529421 NUDQROVWOMGPNO-KXBFYZLASA-N 405.478 0.518 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778597081 WYVRBQRLMPAGRG-YWZLYKJASA-N 414.466 0.974 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CC[S@](=O)CC)C2)C1 1778815219 NSLUORCSLWYOMY-UZTOHYMASA-N 400.541 0.958 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccc(CO)o2)C1 1779706670 XJXUWSQCHWPADK-RRMPHLOHSA-N 404.463 0.938 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779961797 UTHHGHQSLDCXSR-MGPUTAFESA-N 414.466 0.974 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3ccc(O)nc3)C2)C1 1780256415 WDSGQPXNKXOXTD-IYNODDHASA-N 418.450 0.760 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CCSC(=N)N)CCO2)C1 1781267160 LPLVTRMQZBABRY-SFHVURJKSA-N 412.512 0.342 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CCO2 1783567838 CDTNJKJSYQLFBG-XJDXJNMNSA-N 413.386 0.526 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1783889648 RSEJVSVOEIPOBK-ZJNRKIDTSA-N 417.528 0.020 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)C1 1785539842 QOKOGDVIISAPFK-SFHVURJKSA-N 409.533 0.643 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4N3C(=O)OC(C)(C)C)C2)C1 1785593475 JQCCLEIHXXVAEI-PTDBIEIZSA-N 403.479 0.847 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3=COCC3)C[C@@H]21 1788661168 DDZIKVSFSOJZAG-OHZONPBZSA-N 407.467 0.799 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCOC3)C[C@@H]21 1792148441 HONOZVRFNSOWHG-DMUMMCEESA-N 413.474 0.953 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nc3ncccn3n1)C2 1792564528 QNQVKXUPKYNNHT-BSBPSHLESA-N 409.450 0.235 30 20 HCED O=C(C#CC1CC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccn(C(F)F)c1=O)C2 1793260543 QDDNJOKUYMCBBL-XOIINTDNSA-N 405.401 0.860 30 20 HCED COCCn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#Cc1ccccc1 1795275619 ACOLHCSWNSRDKV-HATOLVCRSA-N 422.485 0.784 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1795597970 MUIRYRVFKGJGLS-XOIINTDNSA-N 401.467 0.272 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H](N)c1cccnc1 1795679582 LKJINWRJXCXMDS-KNRPQUBCSA-N 417.510 0.862 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc2ccoc2c1 1796223801 JSPKQWATBPXTCT-KOVVAMBWSA-N 424.457 0.889 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cccc(OC)n1)C2 1797706591 IKOVNWJUGCPQDG-MQJTVSLUSA-N 417.506 0.795 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(F)c[nH]1)C2 1797816610 OMXLAVHIZDPTQC-CXWUWMAISA-N 408.430 0.886 30 20 HCED C=CCSCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)n1ccccc1=O 1797933293 GBQBAQYHMMRWTH-OAFZBRQQSA-N 405.520 0.918 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1798267095 OUAXRGOUNZQGTR-QLELORLDSA-N 409.487 0.161 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc(C)c(C)[nH]c1=O)C2 1799390086 GFUSCXFVUCRWGQ-LVQVYYBASA-N 419.482 0.391 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2ccoc2cn1 1799878569 FTNGXCZHCQSEDH-KOVVAMBWSA-N 424.457 0.889 30 20 HCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(C(=O)O)ncn1)C2 1800105698 AIIJSPYQDWLCKY-BTTYYORXSA-N 416.434 0.936 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C3)CCC1 1801977717 VDNFENGTQPWMIQ-YWVIFJGQSA-N 402.411 0.075 30 20 HCED CC(=O)N[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC(=O)O)c1ccc(F)cc1 1801988810 PEFXNWGWJJQJNH-AXVVYFOYSA-N 415.421 0.729 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1F)C2 1802124792 JVPBZNKSWLGZOL-IAFLNBNSSA-N 423.485 0.851 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2CCN(C(=O)CNC(N)=O)[C@H]2c2cccnc2)cc1 1802582713 QLPBYVOLYLQIOR-RXVVDRJESA-N 420.473 0.870 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](O)CC)[C@H]1c1cccnc1 1802996180 YCUGDGVELWSZAO-GAAMPABNSA-N 400.479 0.717 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@H](CNC(=O)C#CC2CC2)[C@H]1c1cccnc1 1803452795 UEZNPGHMAYJQRS-IRFCIJBXSA-N 412.490 0.652 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1c1cccnc1 1804341613 KPCPUZGGOFZUSR-YCPHGPKFSA-N 412.450 0.235 30 20 HCED CS(=O)(=O)CCC(=O)N1CC[C@@H](CNC(=O)C2(C#N)CC2)[C@H]1c1cccnc1 1806854649 FYJRMGOPTCEJRF-DOTOQJQBSA-N 404.492 0.826 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H](C)NC=O)[C@@H]1c1cccnc1 1808369524 HOYPTGYUYVJEMN-BGTYHANMSA-N 402.495 0.795 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cnc(O)nc3O)C2)CC1 1810861927 ZLOFDHDKOAZZHD-AWEZNQCLSA-N 402.451 0.771 30 20 HCED CC(C)(C)n1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1 1811555550 KSCXPGPHDJIERG-BEFAXECRSA-N 424.461 0.836 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)[C@H](C)NC(=O)c2ccccn2)[C@H]1c1cccnc1 1812348608 LSDBMWAJJWDDQZ-RIFZZMRRSA-N 405.458 0.934 30 20 HCED C#CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](COC)NC(C)=O)[C@H]1c1cccnc1 1814107765 OGCZHNABRFPWRD-BJLQDIEVSA-N 400.479 0.652 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C2=NNC(=O)C2)n[nH]1 1819338659 WHJZGEPVFNXDPT-LMVHVUTASA-N 413.438 0.136 30 20 HCED Cn1cccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c1=O 1825661326 PGTAPIRMYSLRST-JTQLQIEISA-N 400.416 0.156 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C45CC(C(=O)OC)(C4)C5)C3)C2)C1 1829673052 FEEJCXIEEMWYKF-HRTMPFAESA-N 418.490 0.752 30 20 HCED Cn1cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(C(F)F)n1 1831214984 FZHFOXJVLYHCCK-FQEVSTJZSA-N 422.432 0.841 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)nn(C)c3C)C2)C1 1831387163 DZWXPHVIRMLCPH-UTKZUKDTSA-N 418.494 0.145 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1831391549 QOKNGBLKBNPSNB-HRAATJIYSA-N 417.462 0.199 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3C)C2)C1 1831434232 URDCCYBLWWUJKJ-UZLBHIALSA-N 406.483 0.239 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](S)C(C)C)CCO2)C1 1831483683 NNAZXIGFICFQKF-FPXQBCRKSA-N 402.557 0.804 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)Nc3ccccc3)CC1)CCO2 1831527862 KVARXMHSJWULSW-NRFANRHFSA-N 411.458 0.495 30 20 HCED COC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1831614083 DSPHJUUQLJIYGD-VGSWGCGISA-N 415.490 0.840 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCC([C@@H]2CCCCN2C(=O)[C@H](C)S)CC1 1831840743 OZSPWDCQFIDOTF-AEGPPILISA-N 401.529 0.989 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832182444 CTEWCZIAKCBPLC-MLGOLLRUSA-N 410.364 0.382 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833653065 MJEXYEZWLGDUNH-OAQYLSRUSA-N 424.461 0.641 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(O)n3)CCO2)C1 1834187149 JDYIJPZJJQBYJY-MGPUTAFESA-N 405.451 0.448 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1)CCO2 1834307675 LYEMLPTVWRFZPB-HXUWFJFHSA-N 418.450 0.056 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1835100185 FEADFJGKHGGKAT-NRFANRHFSA-N 411.414 0.502 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5cccnn5n4)C3)C2)CC1 1835345623 RGRSWQLRXLGOTK-HXUWFJFHSA-N 410.434 0.103 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835675318 NJYBMKARTTWHJQ-FIKGOQFSSA-N 424.542 0.132 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4csc(N)n4)CCO3)C2)c1 1835793847 CDRRUVUFQFPHJR-GOSISDBHSA-N 416.463 0.309 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1837393132 KYSLJXQTZMBKGC-UWJYYQICSA-N 420.510 0.221 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1837403720 PQBRKQXRYWQYJD-IERDGZPVSA-N 410.511 0.443 30 20 HCED COC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487106 XBZBGKNKEITATF-QFIPXVFZSA-N 422.522 0.566 30 20 HCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1)N1CCN(C)CC1 1837635760 UBURJWNDERMCPD-KRWDZBQOSA-N 405.543 0.535 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc3c1OCO3)CCO2 1838480022 MHQMVUZNGNAAFR-NRFANRHFSA-N 415.446 0.684 30 20 HCED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)cc(OC)c3)CCO2)C1 1838579321 IZXUEOWRFMHFRF-RXVVDRJESA-N 417.462 0.408 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ncccn4)C3)C2)c1 1838906681 ZATKSRYIIYFDOD-JOCHJYFZSA-N 421.457 0.661 30 20 HCED CO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839453840 GUGJIGSZCXRWHL-IIBYNOLFSA-N 401.463 0.972 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1n[nH]c3ccc(C#N)cc13)CCO2 1839487834 HUWOVHPXOPUTSV-OAQYLSRUSA-N 422.445 0.808 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3ccc(F)cn13)CCO2 1839591091 FZAPPYSRRRSDCC-LJQANCHMSA-N 401.398 0.457 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840274372 DKVMJXVDBANMRF-MMKHEFIASA-N 424.538 0.567 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840812334 LTUPAEDCUDIQOA-OAQYLSRUSA-N 415.494 0.421 30 20 HCED CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842624457 XFXARVORKJWEBF-AWEZNQCLSA-N 408.455 0.560 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)c1Cl 1844734919 GQZGYUMQWFLYSO-CQSZACIVSA-N 403.870 0.621 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)c2cnc(O)nc2O)C3)ccc1F 1845202796 OXFUMZDGFCFXHQ-UHFFFAOYSA-N 411.393 0.958 30 20 HCED O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 43734638 LERPXXQOLKGTOB-UHFFFAOYSA-N 419.419 0.866 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 51261593 VGUQIBLJVHLRBF-UHFFFAOYSA-N 409.468 0.663 30 20 HCED COCCOc1ccccc1N1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409491918 BVXAZTQEUUVOPC-INIZCTEOSA-N 410.496 0.303 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 436131841 QWIAPBSDNHOLGH-INMHGKMJSA-N 422.507 0.647 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 437395708 WBDSMCAMMZJNIU-KFWWJZLASA-N 404.471 0.466 30 20 HCED C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1 438743246 ZMJWASBORLADDH-UHFFFAOYSA-N 407.452 0.124 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)nc1 441683017 BWSCLRIJSHYCOA-UHFFFAOYSA-N 418.523 0.741 30 20 HCED COc1c(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c(C)nn1C 461774550 QOBCRZGXJAVXER-UHFFFAOYSA-N 411.397 1.189 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC(=O)N(C)CCc1ccccn1 464960874 LALHPEJYLKNGNV-INIZCTEOSA-N 422.493 0.664 30 20 HCED N#Cc1cccc(CCNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c1 466827602 WIDLYLLQXKOGHQ-GOSISDBHSA-N 406.508 0.937 30 20 HCED COc1ccc(NC(=O)CN(C)[C@@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 469216565 VDIIEVCDUNQRFJ-AWEZNQCLSA-N 410.496 0.889 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)F)n3)CC2)c1C#N 472873823 KSSRXTFELFBLSA-UHFFFAOYSA-N 406.397 0.349 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 472909854 XDCFWTDGOJKWIB-IRXDYDNUSA-N 400.531 0.594 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 479772277 OLSGVBGFEAHDCE-LLVKDONJSA-N 408.461 0.511 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(S(C)(=O)=O)CC1 481926363 OBAGPNXFCKAEHS-LRVUVFPRSA-N 413.521 0.697 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)CCn3nc4ccccn4c3=O)C2=O)cc1 489252954 OIUKYIUINMACLB-KRWDZBQOSA-N 404.430 0.675 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 497905535 VBJKBTBYVXLWEF-UHFFFAOYSA-N 422.283 0.586 30 20 HCED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 499204161 UHLFFLFVRZAPRM-SNVBAGLBSA-N 409.240 0.311 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)[C@H](NC(=O)C3CC3)[C@H](C)O)c(C#N)c2N)cc1 499697136 VKWFXXGCGIBDHU-IFXJQAMLSA-N 424.505 0.959 30 20 HCED CN(CCCNC(=O)Cn1cc(C#N)c(=O)c2cc(Cl)ccc21)S(C)(=O)=O 502868263 RVKKLHARHQWGMR-UHFFFAOYSA-N 410.883 0.924 30 20 HCED CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505664132 ONUUMRKXJVWUNW-CQSZACIVSA-N 400.504 0.861 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 506615966 ZBBMORKZIDPHFM-MRXNPFEDSA-N 409.508 0.913 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C(N)=O)C1 508831495 DGRNQXLTIDDFLT-HNNXBMFYSA-N 420.495 0.072 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](OC)c2ccc(Cl)cc2)CC1 513102985 PKOKTSKIPKDFDM-KRWDZBQOSA-N 422.913 0.590 30 20 HCED CS(=O)(=O)N1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 513848510 IRAUOPPDXTTXNJ-UHFFFAOYSA-N 402.454 0.416 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Br)c3c(c2)OCO3)C1=O 517862025 NUGSLKHAXZHZTD-UHFFFAOYSA-N 424.207 0.771 30 20 HCED C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)cc2)C1 519291366 WYZZIASUNKTMAU-GOEBONIOSA-N 420.491 0.797 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 538541236 JWYUGDMUGJVHNP-UHFFFAOYSA-N 402.495 0.998 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)ccc1[N+](=O)[O-] 538841663 PWUHEFDPEMMDFN-UHFFFAOYSA-N 416.459 0.639 30 20 HCED CC#CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 542673600 IEKPWLUJBZIAMY-UHFFFAOYSA-N 409.483 0.968 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)CN1CCN(C)CC1 543219445 PQPZXLYMTXEWPE-OAHLLOKOSA-N 403.483 0.274 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 546710250 XGTKHSCBSXZJTI-UHFFFAOYSA-N 424.479 0.016 30 20 HCED CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 550316326 XEGSUFRDBZFQCE-GOSISDBHSA-N 404.492 0.792 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2S(N)(=O)=O)c1 553742078 AQPQRFFOKSXZHQ-UHFFFAOYSA-N 409.489 0.728 30 20 HCED Cn1ncc2c(N3CCN(C(=O)C(=O)Nc4ccc(C#N)c(F)c4)CC3)ncnc21 555024852 BLURYPWUBAZQCR-UHFFFAOYSA-N 408.397 0.661 30 20 HCED C=CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@H](C)c1cccc(-n2cnnn2)c1 557717713 GDAFRQHLODAZHQ-QAPCUYQASA-N 418.523 0.857 30 20 HCED CCOc1ccc(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 559707915 DVOALBNVZKVKNB-UHFFFAOYSA-N 410.478 0.964 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 561135853 JTDDHXRMMCMRPV-WBVHZDCISA-N 421.461 0.201 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)CC1 561413737 QYAAJJSMGYTXSW-RTBURBONSA-N 405.587 0.770 30 20 HCED N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1Br 563553858 PGPIKPNSJQSDDL-CYBMUJFWSA-N 409.240 0.359 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2cccc(OCC)c2)CC1 563985699 BEITYVRMIOXPOU-UHFFFAOYSA-N 402.495 0.190 30 20 HCED CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 566522629 PSSPLWXOIAKJCU-SFHVURJKSA-N 420.473 0.595 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC2CCN(C3CCCCC3)CC2)CC1 572314855 RCCCMYKEANTRAA-UHFFFAOYSA-N 419.570 0.346 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc(C)c(C(F)(F)F)s2)CC1 575228183 KBXDZXAUZNZVOT-UHFFFAOYSA-N 419.429 0.855 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(CC(F)(F)F)CC2)cc1 581317210 JYYPAMITZBHPKB-UHFFFAOYSA-N 404.414 0.933 30 20 HCED CC(C)(C)C(=O)N1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589311354 RVJAALJUSNMBPB-UHFFFAOYSA-N 406.508 0.990 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 610797084 DSNLWAFWAGNDAR-DOTOQJQBSA-N 406.508 0.548 30 20 HCED COC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccn1 610810016 AVLBYGGNJDJBSU-MLGOLLRUSA-N 402.432 0.651 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)c1cccc(C#N)c1 610869940 IHBMSWSXNYYKRE-AWEZNQCLSA-N 411.466 0.248 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)O1 611373184 BCNQSDUKJXUDGR-IRXDYDNUSA-N 400.483 0.857 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2ccc(OC)cc2OC)C1=O 726042785 GLUNHAPOFBSHBK-NSHDSACASA-N 419.390 0.551 30 20 HCED N#Cc1cnc2ccccc2c1OCCOC(=O)C1CCN(S(N)(=O)=O)CC1 726363503 QOWVZEWRYIACAE-UHFFFAOYSA-N 404.448 0.944 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)CC1 728535056 WPUAZKNVPZLKRT-GOSISDBHSA-N 404.898 0.801 30 20 HCED Cn1cc(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1=O 729186203 FYCMJGSDWGFCIB-QGZVFWFLSA-N 409.402 0.965 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 731127243 AJDCVLNDCJTSKN-FQEVSTJZSA-N 403.504 0.961 30 20 HCED O=C(CNC(=O)c1cc(-c2ccccc2)on1)NCCN/C(O)=C1/N=CC=CC1=O 732155787 FVKOWKHNRZGFCT-ZZEZOPTASA-N 409.402 0.714 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)CS(C)(=O)=O 733288036 XBGDXKPOGIPGNH-JSGCOSHPSA-N 415.537 0.833 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)cc1 736233503 WNBDSFWTAUXVIQ-MRXNPFEDSA-N 405.520 0.829 30 20 HCED CCc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(N)(=O)=O 737149220 HOLKYFJILAVMAD-UHFFFAOYSA-N 416.463 0.330 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 746020179 KYGIUOGHPYTSQU-RMYFCYLKSA-N 403.483 0.993 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCOC3)c2=O)cc1 749868278 HBAVECKOWNADRS-INIZCTEOSA-N 411.483 0.998 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 756230867 JLYARWPKAHUUOD-LBTBCDHLSA-N 407.426 0.560 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 761035676 BVWBGIYMZAZKOX-ZDUSSCGKSA-N 420.451 0.791 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761172572 OBZZTMDVIOIWTR-YPMHNXCESA-N 412.443 0.501 30 20 HCED C#CCCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 763050948 CSNMLXICENCPRW-CQSZACIVSA-N 406.508 0.056 30 20 HCED CN(C)S(=O)(=O)c1ccc(NCCN/C(O)=C2/N=CC=CC2=O)c([N+](=O)[O-])c1 763352053 VTBBEWMTJCQIIC-NXVVXOECSA-N 409.424 0.783 30 20 HCED CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 773883969 RRCYUFACYOAMTJ-RCCKNPSSSA-N 423.495 0.032 30 20 HCED C[C@H](CC(=O)NC[C@@H]1COC2(CCOCC2)O1)/N=C1/NS(=O)(=O)c2ccccc21 777016475 MROCZSJEFYRYCD-ZIAGYGMSSA-N 423.491 0.542 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 781530464 VQRFPWPSSLGUQZ-HEWTWTGNSA-N 424.523 0.613 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 782909233 UXLAIZFLDOKDFR-DOTOQJQBSA-N 421.475 0.722 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1 783245420 ULLGTACZZMBEQF-UHFFFAOYSA-N 408.418 0.370 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 783347504 NQGGCYGUFVJISP-UHFFFAOYSA-N 408.885 0.399 30 20 HCED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 784545458 OEORRQMLHISAEJ-UHFFFAOYSA-N 410.452 0.569 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1 787537512 CWXYBEOEJCIANQ-UHFFFAOYSA-N 423.491 0.123 30 20 HCED CC(C)(CNC(=O)C(=O)NCCNc1ncccc1C#N)NC(=O)OC(C)(C)C 787779562 XTXUSUPYHNLNGD-UHFFFAOYSA-N 404.471 0.901 30 20 HCED N#Cc1cnn(C2CCOCC2)c1NS(=O)(=O)c1cccc(-n2cnnn2)c1 794041668 HGXINTLKBKGSIW-UHFFFAOYSA-N 400.424 0.883 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)CCO1 796245949 OIQTXQDWRBPQEZ-JKSUJKDBSA-N 400.501 0.979 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 799283664 MTTURYNHWQMPPA-GBPUDXIESA-N 420.491 0.328 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCN(CC)CC2)cc1 803378099 LWJDHQZWVHOCTD-OAHLLOKOSA-N 409.508 0.860 30 20 HCED C#CCCCS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 804939661 SCOQWKIXXYJGKK-UHFFFAOYSA-N 400.478 0.692 30 20 HCED CN(C)CCN1C(=O)C(=NNC(=S)NCCCN2CCOCC2)c2ccccc21 807948214 AJAZFWYXNXDYPD-UHFFFAOYSA-N 418.567 0.485 30 20 HCED COc1ccc(CN2C[C@@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)cc1 813978222 BSKZJCJDJACYOQ-HNNXBMFYSA-N 414.443 0.815 30 20 HCED O=C(CC1(CC(=O)N[C@@H]2CCCN(O)C2=O)CCCCC1)N[C@@H]1CCCN(O)C1=O 816756452 XSMXIWREMSRVCO-HUUCEWRRSA-N 424.498 0.710 30 20 HCED COC(=O)Cc1ccccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 819659104 SMOWYULPQFFQSW-UHFFFAOYSA-N 401.444 0.757 30 20 HCED COc1c(F)cc(CC(=O)NCCNc2ccc(C#N)cn2)cc1S(N)(=O)=O 915640305 VHUBOBNQUOAJHO-UHFFFAOYSA-N 407.427 0.519 30 20 HCED CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1116949391 VWHPKPYGVGQENN-HNNXBMFYSA-N 401.496 0.793 30 20 HCED C[C@H]1CCCN(S(=O)(=O)c2ccc(CNc3[nH]c(=O)n(C)c(=O)c3C#N)cc2)C1 1306935832 VBCKHLSDCGNUAU-ZDUSSCGKSA-N 417.491 0.978 30 20 HCED COc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccc12 1475509108 OVUBTFOWGOBFTE-UHFFFAOYSA-N 400.416 0.961 30 20 HCED CCCNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1501145055 LJCRYUAERNSPDY-MRXNPFEDSA-N 416.530 0.509 30 20 HCED CCOC1CC(O)(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)C1 1502965539 WZFZNAFYLRSIQJ-VZVAKUHGSA-N 421.498 0.589 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1503841101 MQGSLLIAHKIOCZ-HNNXBMFYSA-N 424.914 0.800 30 20 HCED COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)F 1504411911 VTMJHBUXDCOJJC-CQSZACIVSA-N 420.420 0.988 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1519195649 RQJWAIXPARCUIC-BRWVUGGUSA-N 418.498 0.743 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1541679256 VTJDPJCXLNHYGK-DLBZAZTESA-N 419.530 0.646 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1547250814 NKWPDUMWNNPPOW-INIZCTEOSA-N 411.466 0.294 30 20 HCED N#C[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1620356389 YBMBIJFUDKAPLY-UONOGXRCSA-N 403.468 0.431 30 20 HCED N#CCc1ccccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1621956152 JEHBZRARUCVHEG-MRXNPFEDSA-N 413.521 0.568 30 20 HCED 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C#CCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cnc4sc(C)cn4c3=O)C2)C1 1777993829 CCOJDRPBJZSPCK-HXUWFJFHSA-N 414.487 0.921 30 20 HCED CN(C)c1ncc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)o1 1779015933 HDMVCOKLJBSOGA-BOURKTIISA-N 418.498 0.656 30 20 HCED COc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1 1779899635 DWUYTFCIBBIBNG-LIRRHRJNSA-N 405.455 0.730 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@H]2CNC(=O)C2)CCO3)c1Cl 1780192508 MKQLRKRTHIUWEA-JLTOFOAXSA-N 416.865 0.791 30 20 HCED C[C@H](NC=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1780724088 NOWXNSQGJSZSCY-FNCSKKEUSA-N 424.498 0.164 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccncc3)C2)C1 1780991760 KHRPOTJYNGJAKT-OAQYLSRUSA-N 401.463 0.963 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1781395933 FKXGOKVYSZDJNP-QRWLVFNGSA-N 419.482 0.910 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4cccnc34)CCO2)C1 1781396102 HRYUKYMSANWSPI-QRWLVFNGSA-N 414.466 0.974 30 20 HCED 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N#Cc1ccc(O[C@H]2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)C2)nc1 428772997 OETUBQDVOVSIGE-SFHVURJKSA-N 407.478 0.935 30 20 HCED N#CCSc1cccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 430776043 IEDCAOPBGAVFGQ-UHFFFAOYSA-N 400.460 0.736 30 20 HCED C[C@@H](C#N)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 432127031 QTJPVCBMERZVRK-ZDUSSCGKSA-N 405.480 0.555 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)N(CCC#N)CCCN(C)C)c2ccccc2O1 438742831 FZGSVWLSVBINAZ-QGZVFWFLSA-N 401.467 0.221 30 20 HCED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 441357771 UGYHMRQIORXVPN-SFHVURJKSA-N 419.825 0.766 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2nc(N)ns2)CC1 441520764 DMDHZEIMOVTPMJ-UHFFFAOYSA-N 411.495 0.933 30 20 HCED CCOC(=O)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443318909 KLZDEZBOZNFZQS-HNNXBMFYSA-N 403.313 0.826 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)nn1CCC#N 447312198 LGJAPXFHAKJIMQ-ZDUSSCGKSA-N 423.395 1.428 30 20 HCED CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 462945120 LXWWXQYHKMRATL-LBPRGKRZSA-N 415.416 0.973 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 463677805 JEPAQBSWJRCFNT-UHFFFAOYSA-N 419.463 0.808 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CNS(C)(=O)=O)o1 465127321 HIWUZEABZMRBCX-LBPRGKRZSA-N 404.452 0.341 30 20 HCED CNC(=O)COc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1OC 465264285 FUUQWFJVNCESTK-CQSZACIVSA-N 424.461 0.833 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)C(F)(F)F)CC2)cc1 467634422 VJUOZXPVXMJLBS-CQSZACIVSA-N 405.398 0.998 30 20 HCED COCCN(CCO)C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471025968 ROBWDXQZRMMEEC-UHFFFAOYSA-N 402.451 0.675 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1F 472110204 ILLHWTZORFTRKE-UHFFFAOYSA-N 419.500 0.466 30 20 HCED Cc1nn(C)c(N2CCN(C[C@@H](O)Cn3c(-c4ccccc4)noc3=O)CC2)c1C#N 472162495 YVWOGZKMUZZJJR-QGZVFWFLSA-N 423.477 0.600 30 20 HCED CC[C@@](C)(NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(N)=O 472583140 SBBNJDULFJIWII-LJQANCHMSA-N 400.439 0.698 30 20 HCED C[C@H](CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nn[nH]n1 478603915 UCLHSRRGKRKXEW-CYBMUJFWSA-N 417.495 0.734 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)COc1ccc(F)cc1 483113420 JRDLDLNBRBJWRH-BBRMVZONSA-N 421.450 0.920 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 485531236 SLYHLZBAGRWWBE-IAOVAPTHSA-N 411.480 0.162 30 20 HCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 499328757 RYAWDCGDYGYDAO-QWHCGFSZSA-N 401.510 0.459 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)C1=O 500023104 GAXHLMMWAPCHBB-GFCCVEGCSA-N 422.507 0.989 30 20 HCED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1S(=O)(=O)c1c(F)cc(C#N)cc1F 503885574 ONUXKASQZMFQRH-MFKMUULPSA-N 402.375 0.952 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)CC1 505368793 OZWWITAYDKOGJM-UHFFFAOYSA-N 411.915 0.462 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 505735845 IWKKUKICQPCZRH-FZKQIMNGSA-N 410.434 0.717 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCO[C@H](C)C2)CC1 508885255 NVJBNYCOMIULQJ-CABCVRRESA-N 412.560 0.764 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CCOCC 522284191 RQNOVAUCXYXWPX-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 537261660 BFWSCMHNNIUOIP-CQSZACIVSA-N 422.507 0.607 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 538147603 IAYAESSUCLFAFA-PKOBYXMFSA-N 410.526 0.551 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 539653587 ATIKMFSOLABNDZ-UHFFFAOYSA-N 400.888 0.658 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)n2)c(F)c1 542085555 QCQFHOJMFRXOFC-UHFFFAOYSA-N 420.408 0.960 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545494011 QSISOXSLLUYZBI-UHFFFAOYSA-N 407.430 0.956 30 20 HCED COc1ccccc1OCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 550334738 LGOXPCDZSKUUQM-UHFFFAOYSA-N 409.446 0.806 30 20 HCED C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(C#N)cc1 550591482 CJJKUZWMIBKCTC-FLXRQSBHSA-N 406.442 0.659 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 552867305 IMHYELILNAPYLJ-YLJYHZDGSA-N 414.506 0.549 30 20 HCED O=C(NCC#Cc1cccc(F)c1)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 555294672 ZTFSFJXMFCCAPY-UHFFFAOYSA-N 408.389 0.984 30 20 HCED COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)nn1 578537772 JCOXGSKXSCFDIS-UHFFFAOYSA-N 403.342 0.934 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)c(Br)cc1F 588719822 SYCCHNUIVYMIFV-UHFFFAOYSA-N 415.175 0.069 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608924489 LOVKQCUDQKYFNQ-UHFFFAOYSA-N 409.450 0.135 30 20 HCED CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 609156688 FMELZRCKZHTBLU-UHFFFAOYSA-N 421.523 0.081 30 20 HCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 609420711 JSSMMECOABKDFX-IEBWSBKVSA-N 404.559 0.996 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 609420713 JSSMMECOABKDFX-PKOBYXMFSA-N 404.559 0.996 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1CCCN(CC#N)C1 610492287 SJGUSXKKCGJBKQ-HNNXBMFYSA-N 409.512 0.011 30 20 HCED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CC(N)=O 679752979 IEAABBVSABZKRY-UHFFFAOYSA-N 423.494 0.592 30 20 HCED O=C(CS(=O)(=O)CCCc1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 731887877 POSOFIXJOBVYFY-VHEBQXMUSA-N 405.476 0.677 30 20 HCED N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)nc1)C(=O)N1CCS(=O)(=O)CC1 732908451 LQWTVZUOMGPXNB-NSHDSACASA-N 405.354 0.602 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 733804411 CUJBSFFSCQGTOQ-HOTGVXAUSA-N 422.507 0.860 30 20 HCED CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1 741454662 KVTZUMCNYDEQTO-HNNXBMFYSA-N 405.524 0.822 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1 742847007 IGHMZERAXYVMRB-INIZCTEOSA-N 403.485 0.973 30 20 HCED C#CCNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)OC)CC1 748273848 BBDJCDNRXFGBKB-UHFFFAOYSA-N 410.452 0.743 30 20 HCED Cc1nn(-c2ccccc2)c(COC(=O)Cn2cc(S(N)(=O)=O)cn2)c1C#N 748425719 DVNCRCQZQQGFMH-UHFFFAOYSA-N 400.420 0.640 30 20 HCED N#Cc1ccc(CC(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 750246757 SJNHGOJVDCUKLQ-MSOLQXFVSA-N 420.487 0.839 30 20 HCED CCOC(=O)C1=C(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)NC(=O)N[C@@H]1C 750822227 LBTGKJNTEPHRMX-BIBXISHDSA-N 411.418 0.844 30 20 HCED COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1cccc(C#N)c1 751646622 ZCIPIQMGKDRNPX-YQQAZPJKSA-N 420.443 0.351 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(CCOC)C2)cc1C#N 752402107 GYXAPXSABODRLP-HNNXBMFYSA-N 403.439 0.902 30 20 HCED C#CCOCCNC(=O)NC[C@H](O)COc1ccc(I)cc1 753382361 MVVGMPXTBYNAQP-ZDUSSCGKSA-N 418.231 0.980 30 20 HCED C#C[C@H](CC)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 754372398 YPHZGQCJKJISBQ-NMVBRADZSA-N 412.533 0.908 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)c1 754950087 QLVSGKBZLXSBIR-UHFFFAOYSA-N 415.471 0.501 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 758069418 PCVAYNQXVSIZDB-UHFFFAOYSA-N 415.421 0.183 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 761027969 CROPFMGNQZWOFV-IBGZPJMESA-N 406.552 0.975 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 764010075 SDBKMUKAVAHJEP-QGZVFWFLSA-N 418.538 0.917 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(O)CCC2(CC1)OCCO2 765743894 PPEICOUGDPWGQA-CQSZACIVSA-N 423.491 0.389 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CC(=O)OC(C)C)C2)c1=O 766030238 FODXDGYHQGBMRA-INIZCTEOSA-N 406.483 0.555 30 20 HCED C#C[C@@H](C)N(C)C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 767231880 JFLGPXUBIWEAEV-CQSZACIVSA-N 421.498 0.427 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2ccccn2)CC1)c1cc[nH]n1 770823812 MAVBIUUIDBJVHA-UHFFFAOYSA-N 414.422 0.073 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(C)(C)CO)c1 771241001 DXENDHXHIWPKJT-QNGOZBTKSA-N 410.496 0.573 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)c2nccn2C)C1=O 771639146 ZFNBSENQRCCVPM-MPBGBICISA-N 409.402 0.787 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)[C@@H]1CCCO1 774840891 GKYMXDMRXOZVKW-UFYCRDLUSA-N 415.490 0.482 30 20 HCED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C1=O 776117033 HDIOBOSYSOQTAS-GOSISDBHSA-N 422.463 0.520 30 20 HCED COc1ccc(C(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1OC 781942871 IQNRKFBWQPVFMB-UHFFFAOYSA-N 411.374 0.797 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1 783463953 JTAXCRDCTPHGJU-UHFFFAOYSA-N 405.414 0.552 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(CCC(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 783482181 VSPPNIWWYYBVHX-MRXNPFEDSA-N 406.460 0.380 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 783538577 BOUUPKSPLZTHJJ-UHFFFAOYSA-N 417.505 0.729 30 20 HCED Cn1cc(/C=C\C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O 787060687 TWHMAIJOFJZNSJ-KKTNHOPESA-N 411.374 0.031 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CCCO1 788042383 WZSWNUPPHSZORB-SFTDATJTSA-N 412.534 0.920 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc3c(c2)CCCC3)c1=O 793469986 UFGLZQOJNYXOFF-UHFFFAOYSA-N 413.524 0.860 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)[C@H]1CCCO1 793952988 QMYALIOXOGKZEN-ZWKOTPCHSA-N 421.519 0.428 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)CCn2cnccc2=O)c1 796963986 OVAILZGKKCFQDM-UHFFFAOYSA-N 411.237 0.773 30 20 HCED C#CCC[C@H](O)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 799080030 XUTIDNHCHGSSIY-INIZCTEOSA-N 422.503 0.764 30 20 HCED C#CCC[C@@H](O)CNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 799222891 BUUSJVASHMHMPS-OAHLLOKOSA-N 424.523 0.669 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N([C@H](C)C(=O)NCCF)C1=O 799862133 OUGOTDFREQKRNK-XAWPPJIKSA-N 409.487 0.534 30 20 HCED C[C@]1(c2cccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)c2)NC(=O)NC1=O 801283841 TVIXKXVEDIJWRP-OAQYLSRUSA-N 404.430 0.970 30 20 HCED COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1 805229248 UKXRIROTVQDWMN-STQMWFEESA-N 414.422 0.657 30 20 HCED C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 808279644 PQGHFWFXEXCBBT-UHFFFAOYSA-N 406.507 0.194 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)[C@H]1CCCO1 809149491 OKHPIZYWUCAEOL-MELADBBJSA-N 419.459 0.053 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)[C@@H]1CCCO1 809313075 QKHUNDYSKZCCJX-RTWAWAEBSA-N 418.582 0.938 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(CC#C)CCCN2C(=O)OC(C)(C)C)CC1 809665233 VRNUEUSCEFLAPR-JOCHJYFZSA-N 416.522 0.673 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 810407823 YPNORLKUABLYFT-QGZVFWFLSA-N 406.508 0.596 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 810982624 VIWBZNOYVOGAIB-IBGZPJMESA-N 403.460 0.935 30 20 HCED 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417.510 0.959 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncc(Cl)cn3)CCO2)C1 1833790151 KCOGJXFLYNDKHI-BZNIZROVSA-N 400.888 0.518 30 20 HCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1C 1834768723 LQFWUKBXGFIQCU-OAQYLSRUSA-N 401.463 0.916 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnoc4C4CC4)C3)C2)CC1 1835342766 PCRLQQLQQYJCRH-HXUWFJFHSA-N 400.435 0.926 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1835356855 QJXJBFRUQQDMLC-OAQYLSRUSA-N 412.446 0.555 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)NC(=O)CC)CC2)CC1 1836816263 OXKALGQHRNOGQL-IAGOWNOFSA-N 421.538 0.938 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)n3cnnn3)CC2)CC1 1836859686 AWSSCOIXMLNVHR-CVEARBPZSA-N 418.498 0.271 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]cnc3C)C2)C1 1837396490 IDKHLNBPCNLNDI-MGPUTAFESA-N 406.483 0.361 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)Cn4ccnn4)CC3)CC2)c1 1837981833 WRXIEQYPEAWNSR-UHFFFAOYSA-N 411.466 0.790 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1838352244 IRKSWGVHWAAGNB-OAQYLSRUSA-N 416.478 0.749 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049662 PERJNMFRESHLEG-KUHUBIRLSA-N 419.507 0.047 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839174214 MYEJVUJKIPEILH-FQEVSTJZSA-N 418.450 0.056 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2 1839212600 FIPBEIAMYAQUII-PGRDOPGGSA-N 419.522 0.832 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccncn4)C3)C2)cc1 1839362107 YJKQGJIHLLXLTB-QFIPXVFZSA-N 421.457 0.926 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571402 SAWRBMIHJLRNSH-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)C2)C1 1839811162 KGLBTSNKEDZCLV-YWZLYKJASA-N 409.483 0.379 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nccc(OC)c3OC)C2)C1 1840174638 OTWRBULIYNDRLG-HXUWFJFHSA-N 405.451 0.745 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)C1 1840494653 MDCOHCBHKSQOAG-NRFANRHFSA-N 401.463 0.752 30 20 HCED CCOCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840522265 JBTHEOZWOBNLHL-HXUWFJFHSA-N 410.515 0.151 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCNC(=O)OC(C)(C)C)CCO2 1840804112 YCBRZSVCLGUQSU-NRFANRHFSA-N 423.510 0.771 30 20 HCED Cn1cccc1C(=O)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816268 VAHFYMVNUVCKDR-OAQYLSRUSA-N 414.462 0.358 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840855477 ISZSZNXBTXPTJP-KNQAVFIVSA-N 421.538 0.941 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cnc(OCF)cn1)C2 1841054191 WWTZKCOUXZTVOU-PLNGDYQASA-N 403.414 0.458 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)C1 1841297853 HGPFSUHXYLCOFW-CABCVRRESA-N 411.499 0.667 30 20 HCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542310 FUKFNRPPMNPGIO-MRXNPFEDSA-N 405.495 0.879 30 20 HCED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)Cc2ccc(OC)cc2C#N)C1)C(=O)O 1845138504 JWMMIJBYTJWMJJ-QGZVFWFLSA-N 414.462 0.375 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)CC[C@@H](N)C(N)=O)C3)c(Cl)c1 1845487815 OKTFPOWSTBMPNM-OAHLLOKOSA-N 403.870 0.621 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)CCO1 409567801 SYYGQVARGRLHGX-HNNXBMFYSA-N 400.451 0.988 30 20 HCED C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 437424265 VNMSATQNJCANOH-OAHLLOKOSA-N 401.467 0.305 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCOC1 441941858 MPIHQUUOBVNSMF-OAHLLOKOSA-N 413.474 0.891 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 460693964 XGGPGDVWEJIQKS-FUHWJXTLSA-N 402.414 1.160 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463203665 GWMFQMZBCNWDLV-VLFNSIGCSA-N 422.485 0.948 30 20 HCED N#C[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 464802182 NBVRAMZGIBUSSS-GFCCVEGCSA-N 402.270 0.868 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O 465135553 YZARVRGDYBQNGH-CQSZACIVSA-N 411.466 0.640 30 20 HCED Cc1c([C@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cnn1C 468875003 GSGBYUNSVSADQG-OXJNMPFZSA-N 407.478 0.863 30 20 HCED COC(=O)c1c(C)cccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472867254 DVLBCUYEPRFDPD-UHFFFAOYSA-N 424.461 0.983 30 20 HCED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccn2)c(=O)n1Cc1ccon1 478842785 GBMZSPOCBYQTCF-AWEZNQCLSA-N 422.466 0.840 30 20 HCED C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CN1CCN(C)CC1 482185449 ZVPULSVMIXHYEZ-JKSUJKDBSA-N 407.540 0.225 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)CC1 501635195 FZPXODIZXQFNFV-IBGZPJMESA-N 410.522 0.983 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(OC)c1 502047064 VWIYGSINGQOZCL-UHFFFAOYSA-N 421.482 0.446 30 20 HCED COC(=O)[C@@H]1CC12CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 506205099 AJRLHXNIPYUMBY-HNNXBMFYSA-N 401.467 0.778 30 20 HCED C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508816517 JIZRGORKSYMCHT-UHFFFAOYSA-N 421.505 0.984 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1)C(N)=O 509017839 UEFLFYUDFLZABQ-UHFFFAOYSA-N 419.869 0.769 30 20 HCED C=C(C)CN1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 517707274 PMBXPKPDIHMDRW-QGZVFWFLSA-N 402.561 0.815 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)cc1 517805546 HUOACPSKFFXXGX-OAHLLOKOSA-N 416.521 0.427 30 20 HCED Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)cn1 519039022 WCUIDRHWIIWLLN-AWEZNQCLSA-N 404.434 0.902 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NCc2cccc(C#N)c2)CC1 519907853 KIJODPAWFYNSPM-UHFFFAOYSA-N 417.491 0.786 30 20 HCED Cc1nc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)ccc1C#N 521136997 CBQYENLWWZNIIW-QGZVFWFLSA-N 406.508 0.613 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(CC(N)=O)c2=O)nc1 532394332 IZTROTGZWSGLKG-UHFFFAOYSA-N 404.451 0.485 30 20 HCED N#Cc1ccc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)nc1 539695293 PKGYDFDQVJLENT-UHFFFAOYSA-N 400.416 0.527 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 553329242 BIBLCOUNAMFDRL-UHFFFAOYSA-N 414.553 0.218 30 20 HCED CC#CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 555750739 DMAYWFWRHFITMP-UHFFFAOYSA-N 409.508 0.492 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)CC1 557732576 XQBBFZRZAJUQOC-SFHVURJKSA-N 414.554 0.475 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CN1CCCC1 560008443 NPATZLWIRHARPE-LPHOPBHVSA-N 411.506 0.623 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)o1 561496028 LLFAOKXZAUAOIL-UHFFFAOYSA-N 410.496 0.390 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCOCC3)n2)cc1 564135302 VXFQHYFSBVTSDD-UHFFFAOYSA-N 415.475 0.702 30 20 HCED Cn1nccc1[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 566549645 KMXQNZYKMWRUTA-KRWDZBQOSA-N 418.461 1.276 30 20 HCED COCCCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 568669184 SIWJKZBILDARTI-UHFFFAOYSA-N 400.482 0.069 30 20 HCED 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CC(=NNc1ccc(S(N)(=O)=O)cn1)c1ccc(Cl)c(S(N)(=O)=O)c1 764685407 VFWQCCNVADSQPC-UHFFFAOYSA-N 403.873 0.866 30 20 HCED N#Cc1cnn(CCOC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1N 768779543 WAQSHIKNQADJMX-HNNXBMFYSA-N 419.463 0.651 30 20 HCED CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCO1 776136814 CRBFZNLGVXQZHB-JFVSRZABSA-N 423.470 0.448 30 20 HCED CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NS(=O)(=O)CC(C)(C)C#N 777345789 FRIVKATVFHHZMI-ZDUSSCGKSA-N 418.516 0.648 30 20 HCED COc1cc(OC)cc(C(=O)NCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782444684 JDGZWVGINFWETN-UHFFFAOYSA-N 411.374 0.797 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NCC)ccc1C)[C@H]1CCS(=O)(=O)C1 783479260 BQINSKZWYHTHDI-HNNXBMFYSA-N 405.476 0.332 30 20 HCED CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1 785221841 CTRGVIVCRDBOEB-AWEZNQCLSA-N 419.486 0.403 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 786994507 CMTZUECZZSARIT-UZLBHIALSA-N 408.499 0.297 30 20 HCED 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401.471 0.251 30 20 HCED C=CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)C(=O)OCC 1321028057 PHNLLQNSWRRCFP-HNNXBMFYSA-N 412.512 0.753 30 20 HCED Cn1cc(S(=O)(=O)NCCOC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1323338864 JJAROTJZXPOZHI-AWEZNQCLSA-N 417.447 0.166 30 20 HCED CS(=O)(=O)C[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1324457645 LXFCPDSPPMBWOI-ZDUSSCGKSA-N 413.521 0.398 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1359151269 QGEZQZNYTLXZCX-CHWSQXEVSA-N 416.891 0.092 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1505140312 UYYTXBGBUZMNIY-PMPSAXMXSA-N 424.527 0.672 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCC(O)CC1 1541806847 UKPXDJQDYUMGLO-INIZCTEOSA-N 403.531 0.986 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1=O 1555584609 KAVNCWWVKMCAHF-UHFFFAOYSA-N 421.465 0.289 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1596831646 OTCLTISUESSMGC-CJNGLKHVSA-N 420.495 0.936 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1611622179 YMVTUYJCYLCJNH-WBVHZDCISA-N 400.487 0.376 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)CCOC1 1616261673 IKGIICNCJVPDAI-PXAZEXFGSA-N 414.413 0.040 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccc(N)n1 1624014813 OPQJJJVZMWUBCM-ZDUSSCGKSA-N 402.480 0.828 30 20 HCED C[C@](O)(CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1Br 1639553002 QDBOFTGMBRPIIW-KRWDZBQOSA-N 421.251 0.997 30 20 HCED N#Cc1cn(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)c(=O)nc1O 1639957862 IRNKNEBBGYMKFR-MRXNPFEDSA-N 412.837 0.883 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1690346607 XWRMVOTWPFEMIQ-YPMHNXCESA-N 402.908 0.959 30 20 HCED Cc1ncc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)s1 1707781615 LANJJPFQVYHPLE-STQMWFEESA-N 408.509 0.722 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CCO1 1750388050 IRGGYHQULWDKQM-WBVHZDCISA-N 417.491 0.857 30 20 HCED 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406.464 0.703 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1324576349 GUNOAXUUWGISTD-WMZOPIPTSA-N 411.506 0.970 30 20 HCED CN1CCN(c2ccccc2CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1338913176 YKVXPIYVDOSEPB-FMQUCBEESA-N 412.494 0.764 30 20 HCED Cc1c(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nnn1Cc1ccc(F)cc1 1341804487 LLSAANCSUZHJLR-OAHLLOKOSA-N 419.438 0.353 30 20 HCED N#C[C@@H](C(=O)CCc1nc(-c2ccccc2)no1)C(=O)N1CCS(=O)(=O)CC1 1343442321 JSKLYROQLSXAKU-AWEZNQCLSA-N 402.432 0.635 30 20 HCED COc1ccc(C(=O)N2CC[C@@](O)(CC#N)C2)cc1S(=O)(=O)N1CCOCC1 1469407060 ZMULPKRSDKGZJL-SFHVURJKSA-N 409.464 0.207 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1476947014 OKIVLLJBYXPSPA-UHFFFAOYSA-N 417.289 0.766 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503838852 SUQRPSXHCYMUAQ-QGZVFWFLSA-N 415.523 0.671 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1505315847 TUYDGTCPQCGWIN-PBFPGSCMSA-N 410.475 0.496 30 20 HCED 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0.764 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 428931266 YYZOGSMKJBBTLM-UHFFFAOYSA-N 423.458 0.340 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)c1 433485522 HCMWMKIMRSDYFY-INIZCTEOSA-N 415.537 0.693 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc1S(=O)(=O)N[C@@H]1CCOC1 434994303 IHBTWAUMEHTOCV-TZMCWYRMSA-N 424.479 0.319 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)CCO1 436130510 XKRNJICUYWKANP-KRWDZBQOSA-N 418.519 0.975 30 20 HCED N#Cc1ccc(NCC(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 438611394 GGXOEUNKTBPFJT-UHFFFAOYSA-N 419.429 0.947 30 20 HCED C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444511098 TXOUNEPVIYUCIY-IRXDYDNUSA-N 401.515 0.752 30 20 HCED CNS(=O)(=O)NC1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 463209115 ZLHJTNIFKDKJBQ-HNNXBMFYSA-N 423.539 0.849 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 463487903 BUAQZKHZAFJABE-JYBIWHBTSA-N 410.474 0.611 30 20 HCED CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465456982 GHNWMSWCLQKLSE-RDJZCZTQSA-N 420.539 0.980 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465497142 SXMLOJMUCJZQAM-SNVBAGLBSA-N 408.465 0.491 30 20 HCED CCOC(=O)c1nn(C)cc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 473131994 IYAJKZJGXSVCIQ-UHFFFAOYSA-N 417.491 0.975 30 20 HCED N#Cc1cccc(OCCCN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 477767025 OVUKNCKXZRRFJK-SFHVURJKSA-N 420.535 0.248 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1C1CC1 479368514 VVPXHKWEMFCIRB-UHFFFAOYSA-N 414.487 0.304 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 482203115 BSVLYFRQCTZZOA-CWRNSKLLSA-N 406.508 0.988 30 20 HCED C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489254103 JPUKONCLBWBZEW-FZMZJTMJSA-N 412.899 0.774 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCc2cccc(C#N)c2)ccc1F 501510808 RBISAQPYJJKHDH-UHFFFAOYSA-N 404.423 0.903 30 20 HCED CCc1ccc(C(=O)N2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 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0.477 30 20 HCED N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)O)ccc1C(F)(F)F 548830516 PUKGPHKLTZOIQC-NSHDSACASA-N 412.367 0.449 30 20 HCED Cn1c(N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c(C#N)c(=O)n(C)c1=O 553676172 GBCMNYSCYQCCDW-GOSISDBHSA-N 408.506 0.352 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 555265207 IEFQUYXYABAXKU-AWEZNQCLSA-N 419.511 0.972 30 20 HCED CN(CCc1ccccn1)C(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 557248190 VZBVJGMIKLDQCM-UHFFFAOYSA-N 415.475 0.049 30 20 HCED N#C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CCN1Cc1ccccc1 557903299 LIPSNEARDUEAAF-ZCNNSNEGSA-N 412.490 0.629 30 20 HCED C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 559006363 PBRNSMVQAIPLQB-INIZCTEOSA-N 415.498 1.415 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)n1 570234698 URXZAZXITTZLQK-UHFFFAOYSA-N 401.496 0.992 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)CC1 581996123 HMOBFXLHGGBDBF-UHFFFAOYSA-N 411.466 0.649 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC(N)=O)c3)CC2)c(Cl)c1 583479892 JZWFELLSNKSBSV-UHFFFAOYSA-N 415.841 0.181 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)C3CCN(C)CC3)CC2)c1C#N 586851246 YYLUFRFKGVXMDU-AWEZNQCLSA-N 401.515 0.095 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)n1 589410503 OSYSGRORQWMNPQ-DLBZAZTESA-N 409.450 0.135 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C2CC2)CC1 590996903 FAFRTMXTZSJRCP-UHFFFAOYSA-N 409.515 0.307 30 20 HCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1 590999244 UAQFDEHXGXXAPO-UHFFFAOYSA-N 409.467 0.813 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@]3(C#N)CCSC3)CC2)c1 604327380 LFWDEYNQOCTUEJ-SFHVURJKSA-N 408.549 0.962 30 20 HCED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608924687 CQEIBOYUCBEVFT-MRXNPFEDSA-N 402.480 0.870 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 609087802 DBBRJLNGUWYEEF-LLVKDONJSA-N 416.406 0.638 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610712078 KLLORNCTCMZRJM-UHFFFAOYSA-N 411.484 0.028 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670206884 JLLJDQWDXIJMCW-AWEZNQCLSA-N 401.471 0.563 30 20 HCED N#C[C@@H](C(=O)CN1CCN(C(=O)CN2CCCC2)CC1)c1nc(O)c2ccccc2n1 728575706 ILAGJVMSDNAIOU-KRWDZBQOSA-N 422.489 0.752 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(C(=O)NC4CC4)CC3)CC2)o1 729712357 FDWRHMIGTRWRRM-UHFFFAOYSA-N 401.423 0.105 30 20 HCED CC(C)n1c(S)nnc1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 731229038 JMBQWXQSBYKBKT-UHFFFAOYSA-N 408.509 0.893 30 20 HCED CCOc1ccc(NC(=O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732456700 RWQSZRHLHMGGFG-ZCXUNETKSA-N 401.423 0.849 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCOC)cc2)CC1 735922532 FAKOUIYBJRVZSP-UHFFFAOYSA-N 409.508 0.158 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C 745735047 CANNHHIEORCWBL-AWEZNQCLSA-N 420.466 0.547 30 20 HCED C#CCNC(=O)C1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 747825627 YZBMLXLPJRKVDB-HNNXBMFYSA-N 420.535 0.725 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)c1 749742057 HZIMKBYAWXISSQ-JUZUYHRRSA-N 420.491 0.491 30 20 HCED CN(C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(C)(C)C#N 749818353 RIHQGGAZPMQGMZ-UHFFFAOYSA-N 424.479 0.088 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1=O 754161603 KDSZDMGYNPMROL-UHFFFAOYSA-N 418.431 0.089 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)Nc3ncc(C#N)s3)n[nH]c2n1 759627592 VXVXUENFJXOSLN-UHFFFAOYSA-N 404.485 0.864 30 20 HCED C#CCCN1CCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 762295467 ZUOLGMVGQWJPCD-NRFANRHFSA-N 413.478 0.134 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c1 764025560 MJVMLVLQRDDRBX-YVEFUNNKSA-N 414.484 0.539 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCCO)CC2)ccc1F 771772041 WVMBHWWMUXNMHS-UHFFFAOYSA-N 413.471 0.251 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@H]1O 774493917 SHWYZGQYOCMXEM-ZNAFYTPQSA-N 422.507 0.667 30 20 HCED C[C@H](CC(=O)OC[C@@H]1CCS(=O)(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 778355608 RWFIMQYUCPUUKO-NEPJUHHUSA-N 400.478 0.482 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)Cn1ncn(C)c1=O 781266053 KXFCYIVGZGSYNE-UHFFFAOYSA-N 404.427 0.090 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccccc1N1CCOC1=O 782902312 NSKKHWMULHWPLF-UHFFFAOYSA-N 411.422 0.850 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)CC(C)(C)C#N)C2=O)cc1 785091476 WFDOXVLTUKHXLO-LJQANCHMSA-N 402.407 0.976 30 20 HCED CCc1cc(N2CCC(NC(=O)C(=O)NCCNc3ncccc3C#N)CC2)ncn1 787760802 VNBYZKILRBOHHB-UHFFFAOYSA-N 422.493 0.619 30 20 HCED C#CCn1ccc(CN(CC)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)n1 788696266 NTGOFPWCFJAWEW-UHFFFAOYSA-N 410.521 0.647 30 20 HCED C=CCOC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)OC 797762657 VIWGGJGRIYWKEK-CQSZACIVSA-N 400.428 0.740 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 799288001 VRJGDEVKKWQKPX-KRWDZBQOSA-N 421.519 0.999 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 810771733 NTIPIPZNYJFGLW-UHFFFAOYSA-N 423.310 0.782 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1CCOC 812274023 RLPJHMSGYQKBPN-UHFFFAOYSA-N 419.478 0.733 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCCc2cnn(C)n2)C1=O 814709480 CCEQLWKJSLCGGZ-VFOOBRQFSA-N 415.523 0.822 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Nc2cnn(CC(N)=O)c2)c1 918541803 MFBJIJDBFHYEBK-CJLVFECKSA-N 419.467 0.825 30 20 HCED C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 1003362915 HQXZOWKPIWMIRW-RACLHMPKSA-N 402.539 0.299 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN(CC(N)=O)C(=O)C2)ccc1OC 1311964821 VLMBLUVTRFIRFJ-AWEZNQCLSA-N 403.439 0.215 30 20 HCED Cn1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)n1 1314920662 PUEGHRYBXOROJY-SUMWQHHRSA-N 404.500 0.487 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1315427659 YQFHPBWCWIOVSA-INIZCTEOSA-N 420.495 0.574 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 1321008970 OBRGLOOALMYFPZ-BFYDXBDKSA-N 414.462 0.857 30 20 HCED COCCN1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1321818214 LQFRISWHIXNSQZ-GOSISDBHSA-N 413.478 0.990 30 20 HCED C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1)N1CCOCC1 1510081524 UYVDAWOEAADZMF-MRXNPFEDSA-N 401.515 0.861 30 20 HCED Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1511074127 NAQYXRCHEWCAIZ-UGSOOPFHSA-N 404.496 0.794 30 20 HCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1544554456 QKADAPVPFDUYJL-ZDUSSCGKSA-N 402.480 0.528 30 20 HCED C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC(=O)N1C 1545060023 MHDXVAZTSDWTGY-AWEZNQCLSA-N 421.465 0.572 30 20 HCED CO[C@@H]1COCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1555199759 WPFZCZVQUUMUEF-KZNAEPCWSA-N 415.498 0.920 30 20 HCED C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589382198 KMBANIYRORWISW-CYBMUJFWSA-N 422.287 0.985 30 20 HCED CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1618506453 IOGIRUCEJSLHKX-INIZCTEOSA-N 422.493 0.803 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)c1 1624912658 KSWHSLHAHJBWEB-QGZVFWFLSA-N 424.436 0.415 30 20 HCED N#Cc1cn(CCC(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c(=O)nc1O 1629383623 ODRZCYWUDYRZBK-CYBMUJFWSA-N 402.432 0.773 30 20 HCED COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1653013797 OFOYBUQKRBRHJG-GOSISDBHSA-N 422.441 0.652 30 20 HCED N#Cc1cn(CCNS(=O)(=O)c2cscc2Br)c(=O)nc1O 1665124242 ZZKCCBBLMMZXBX-UHFFFAOYSA-N 405.255 0.623 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1730762747 KZIHOSJLLORFBZ-HOTGVXAUSA-N 411.528 0.973 30 20 HCED CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1747450906 OUFXVPUDQKZQNW-SRGMZFCMSA-N 416.573 0.787 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1748107318 ULRNEDCDCOQLPS-ZDUSSCGKSA-N 419.511 0.184 30 20 HCED CC(C)(C)[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1750519402 WCKVTCPMDYLZMU-SUMNFNSASA-N 408.528 0.790 30 20 HCED Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1761961360 VCJOHRURPTWMMT-OAHLLOKOSA-N 411.466 0.659 30 20 HCED CCC(O)(CC)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764300295 FGDJSHVLHMVIJJ-HOTGVXAUSA-N 401.515 0.957 30 20 HCED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)CCOC1 1765816699 YVAFMHXVJQPDNP-DNVCBOLYSA-N 406.487 0.385 30 20 HCED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1768312511 ZUUKVCZZUAANGY-AREMUKBSSA-N 407.521 0.820 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1771537270 LHDDTTOJTFFHQI-CVEARBPZSA-N 417.491 0.985 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3n[nH]cc3[N+](=O)[O-])CCO2)C1 1778971227 JOVHKSPOZSGIRQ-UGSOOPFHSA-N 407.427 0.335 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060542 FRCXWRLDYFAFEM-PGRDOPGGSA-N 402.491 0.553 30 20 HCED CC(C)(C)[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779063987 XZEQUUAMWQUEGS-AVRDEDQJSA-N 406.523 0.922 30 20 HCED O=C(/C=C/c1cnc[nH]1)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107489 VMKMSDZYAYNGAW-CETLRUTGSA-N 417.466 0.782 30 20 HCED Cc1cc(CC(=O)N2CC[C@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1779159426 JFECIYLCRZLXAN-LVZGSSTFSA-N 419.482 0.620 30 20 HCED COC[C@@H](NC(C)=O)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697559 KYWFYHVCRQTQRI-NQIIRXRSSA-N 414.462 0.153 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1782566703 WAKHQWCNWLOWLK-VBKZILBWSA-N 417.441 0.903 30 20 HCED COC(=O)C12CC(C(=O)N3CC[C@]4(CN(C(=O)C5(C#N)CCC5)CCO4)C3)(C1)C2 1783448171 HFADQRBQAMPXIX-XVAXZDLZSA-N 401.463 0.853 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CNC(=O)c4ccco4)C[C@@H]32)C1 1783461225 FVMNKAKEOQIIQN-ZVZYQTTQSA-N 401.463 0.955 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1c(F)ccc(F)c1F)CCO2 1783557183 DHBCDMGHRCLJCS-LJQANCHMSA-N 410.348 0.564 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@@](C)(O)CC(=O)O)C2)C1 1783930145 SMSHTJPYQQHDPX-NIKGAXFTSA-N 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C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 52702330 FRVDDLCLNTUJCZ-KRWDZBQOSA-N 414.462 0.391 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 410117121 DEUKGBUXWRCXCB-INIZCTEOSA-N 423.543 0.162 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cn1 435319048 JMEPZSMIJIPBNT-UHFFFAOYSA-N 421.392 1.491 30 20 HCED COC(=O)c1cc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)oc1C 438240490 ZLFQZGYWWZXLCV-UHFFFAOYSA-N 423.451 0.849 30 20 HCED CCOC(=O)[C@]1(COC)CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 439470827 DYZODPCBDQKOGH-WIYYLYMNSA-N 408.543 0.970 30 20 HCED Cn1c(N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)c(C#N)c(=O)n(C)c1=O 439661269 MUZYZHBHRFHTPA-UHFFFAOYSA-N 424.421 0.457 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)nn1CCC#N 441158717 SEUZHFPRWNOTPJ-MOPGFXCFSA-N 424.505 1.043 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 443078913 OZNHVONZHNVVBO-GFCCVEGCSA-N 421.928 0.978 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)n1 444584352 WIIBLQQZXITUMU-SFHVURJKSA-N 410.478 0.795 30 20 HCED COc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1NC(C)=O 446520677 DJHUEXZMYGZYMY-UHFFFAOYSA-N 417.466 0.667 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1 446671257 HTCBPYISAVVWSO-UHFFFAOYSA-N 424.299 0.537 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 460727158 OFOYFJVRPMSWKS-HNNXBMFYSA-N 424.461 1.576 30 20 HCED CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465417615 PBAJJQLAJSARTP-ZDUSSCGKSA-N 407.434 0.982 30 20 HCED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 467314027 SBZFHEBTTQCPFT-NSHDSACASA-N 421.866 0.981 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 475459253 AYFOAQUUSNIHHV-UHFFFAOYSA-N 424.523 0.270 30 20 HCED CC[C@@H](C#N)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 478794257 LUEHDKYKYOMZNA-AWEZNQCLSA-N 419.507 0.945 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 479887319 NSAGRJDIKZUSIM-WBVHZDCISA-N 408.524 0.698 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cn1C 486125908 JYYVQIJJEKOWLX-UHFFFAOYSA-N 402.480 0.545 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 488971977 DJMCJCHGECGHBQ-GFCCVEGCSA-N 415.496 0.846 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 506959428 BIMQLVRWVVTYKD-CHWSQXEVSA-N 421.479 0.610 30 20 HCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NC[C@H]2CCCO2)n(C)c1=O 507083208 CUZWTTWRVCZUQH-OAHLLOKOSA-N 401.463 0.693 30 20 HCED C=CCc1cc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(OC)c1O 510396086 OCOXPRVKCBJWMV-UHFFFAOYSA-N 401.463 0.923 30 20 HCED CCN(CC)CCCNC(=O)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510629162 ODULGKDNXZNVEZ-UHFFFAOYSA-N 404.519 0.419 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCN(S(C)(=O)=O)CC1 514022156 JJSZGKIEOZLCNT-AWEZNQCLSA-N 421.527 0.240 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCn2cc(Br)cn2)cc1 515099359 IEPIPVHTWNPDAJ-UHFFFAOYSA-N 412.269 0.612 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 537650865 BZAZLPIUWZUDQD-LBPRGKRZSA-N 402.436 0.429 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)n1 538079101 KFWNHHVAQCKNFQ-ZDUSSCGKSA-N 400.414 0.874 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCCC#N)CC2)cc1 542381129 FKAGGWXCSXXINJ-UHFFFAOYSA-N 422.507 0.728 30 20 HCED Cc1ccc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cc1S(=O)(=O)NCC#N 545498306 DPPLRMXMNBYOLR-OAHLLOKOSA-N 405.480 0.473 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCN(c3ccc(C(N)=O)cn3)CC1)CC2 550568756 OXBBTFOHJZHEGZ-UHFFFAOYSA-N 404.430 0.290 30 20 HCED C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)c1ccc(C#N)cc1 550978626 DKVAGRYTPPEFAR-YOEHRIQHSA-N 404.492 0.762 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)C1=O 554419623 SQPKVGCUPAPNQH-GOEBONIOSA-N 402.426 0.293 30 20 HCED CCn1nc(C)c(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C 557603652 QKNYRPDGPNEEMX-IBGZPJMESA-N 422.489 0.925 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1=O 557959354 JGZUAVZTZGKKCE-UHFFFAOYSA-N 403.370 0.661 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 558024102 YTHVSBAUSUNHOA-UHFFFAOYSA-N 416.522 0.879 30 20 HCED CCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CC(=O)N(C)C1=O 558737516 CNNBGNBJJASJHZ-HOTGVXAUSA-N 417.535 0.926 30 20 HCED CC(=O)NCC[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 565795280 MUBMMMIKMSSHEV-HOCLYGCPSA-N 406.508 0.990 30 20 HCED CCN(C)C(=O)CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 577558994 KBGRZCLCCSJEHK-UHFFFAOYSA-N 414.422 0.049 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1nc2c(s1)CSCC2 584738836 ONJHBWHSFFFREF-UHFFFAOYSA-N 405.509 1.139 30 20 HCED COCCN(CCC#N)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCO1 589678659 UWRQBQQKOUZVJR-LSDHHAIUSA-N 414.532 0.824 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3ncccc3c2)c1=O 603792985 QIHZKYUQNWZGRG-UHFFFAOYSA-N 420.494 0.910 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)CNc2ccc(C#N)cc2)c1 609186262 XLKRKZZEWIYQGB-UHFFFAOYSA-N 401.448 0.633 30 20 HCED COc1ccc(C(=O)N2CCO[C@H](C#N)C2)cc1S(=O)(=O)NCc1ccccn1 609280371 GRBZBHGEJDGTGT-MRXNPFEDSA-N 416.459 0.933 30 20 HCED CC(C)(CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)NS(C)(=O)=O 609472666 ALDFMTCUUDJSGU-UHFFFAOYSA-N 404.395 0.542 30 20 HCED CC[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCC1=O 610210812 YGUMWFUCRHAIJZ-QGZVFWFLSA-N 404.492 0.792 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610667658 NBGYMVALEFOJCN-CYBMUJFWSA-N 417.495 0.139 30 20 HCED CC(C)(CO)N1CCN(c2ccc(C#N)c(N3CCN(C(C)(C)CO)CC3)n2)CC1 618153212 LHRBUPCTWKNVHK-UHFFFAOYSA-N 416.570 0.739 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1Cl 619838545 USRCZIMZIOTTQQ-UHFFFAOYSA-N 413.821 0.682 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)NC2CCN(CCS(C)(=O)=O)CC2)c1 731686505 XYYICHCVFFOCEC-UHFFFAOYSA-N 406.508 0.415 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 732149723 NNLUFLZKWKBHLM-INIZCTEOSA-N 421.567 0.648 30 20 HCED N#Cc1cccnc1NCCOC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 732502846 BLUZZJYPDGMLEA-UHFFFAOYSA-N 405.414 0.980 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)c1 732564747 RRRLELJGFONDLM-IBGZPJMESA-N 418.563 0.839 30 20 HCED Cn1cc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O 735153231 LRGNMJNGDHHDQN-UHFFFAOYSA-N 423.347 0.428 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 735923641 VJFOTVIWVXQIAH-UHFFFAOYSA-N 422.482 0.156 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)cc1 736233501 WNBDSFWTAUXVIQ-INIZCTEOSA-N 405.520 0.829 30 20 HCED N#CCCNC(=O)COC(=O)CNS(=O)(=O)c1ccc(Br)s1 750225011 HRCAFGBVSIGASQ-UHFFFAOYSA-N 410.271 0.362 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(CC)cc2)c1=O 758079562 OBDLYBQUAVOYAG-OAHLLOKOSA-N 409.511 0.760 30 20 HCED CC[C@H](C#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 758952390 FMDKUESFYKYPCW-NKRQLWMJSA-N 413.521 0.798 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(C2CC=CC2)C1=O 759696124 GUSJKJTVFYARSP-BAOKRACBSA-N 422.532 0.989 30 20 HCED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(Cl)c1F 763405835 HHABAXQBFRZDCW-UHFFFAOYSA-N 402.835 0.969 30 20 HCED CCN(CCO)CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 769635127 CCPFTZWKQFUKFW-MRXNPFEDSA-N 410.540 0.570 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 769930601 ZBVHNEAIHVTKGU-UHFFFAOYSA-N 405.473 0.370 30 20 HCED N#C[C@]1(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCc2ccccc2C1 770113534 XNUKBSOGLSDORC-UZLBHIALSA-N 414.487 0.719 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cc[nH]n1 770822428 DIORNPHHJYTNDN-UHFFFAOYSA-N 424.461 0.910 30 20 HCED COC(=O)C1=NOC2(CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)C1 771780527 YLPMFHGCDIOJIL-KRWDZBQOSA-N 405.499 0.463 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C)[C@@H]1CCCO1 774865767 UFUOIHYOCWKAQF-ULQDDVLXSA-N 403.479 0.720 30 20 HCED CN1CCN(c2cc(N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ncn2)CC1=O 775532990 KAOKMRXRVAINRB-UONOGXRCSA-N 401.471 0.926 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC(=O)N2CCOCC2)c1 776467607 QAPPXTVJNZKMDZ-LTGZKZEYSA-N 423.495 0.480 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 776967278 XYGWJZSFNGBFGQ-UHFFFAOYSA-N 423.495 0.593 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CC(=O)OC)C2CC2)cc1 780167093 NHBYHHHNPYWEBG-INIZCTEOSA-N 423.491 0.890 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)nc12 783655026 HYLOTJPUJUYMII-UHFFFAOYSA-N 403.358 0.948 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1nc[nH]n1 785057561 INTLWPGPZLIEDQ-VJIMGLEQSA-N 419.467 0.433 30 20 HCED COC(=O)[C@@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cccc(C#N)c1 785657874 ONRZCVZCRMPLOR-MJGOQNOKSA-N 415.446 0.496 30 20 HCED C[C@@H](OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 786365324 NBMLHHRNXAPSFY-ZJPZJRRFSA-N 417.462 0.813 30 20 HCED N#Cc1ccnc(N2CCC[C@@H](OC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)c1 791984985 ZLQMNZHSSFHVSQ-MRXNPFEDSA-N 413.459 0.963 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)n(C)c1 801293405 LRCKVYMJKQCRDY-UHFFFAOYSA-N 402.480 0.504 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 804708305 PCJWJURAMPFSEU-HZPDHXFCSA-N 422.526 0.995 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1 807349483 HWGNHAAHSWHYRW-PBHICJAKSA-N 407.492 0.861 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 810475302 JAYKDUSRYRDNSC-AWEZNQCLSA-N 423.495 0.257 30 20 HCED N#CCOc1cccc(CC(=O)NS(=O)(=O)c2ccc(CNC(N)=O)cc2)c1 810549068 GMKVPMCJPAFJDU-UHFFFAOYSA-N 402.432 0.805 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 839229624 IPOKHSHUPAHMQS-UHFFFAOYSA-N 407.499 0.721 30 20 HCED N#Cc1cccnc1NCCNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 917156212 CHOPCQPDXJUDSR-UHFFFAOYSA-N 404.430 0.553 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1116283786 ASIIEYDSBHPBNY-OAHLLOKOSA-N 423.539 0.735 30 20 HCED 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N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)CCO1 1505322361 MDWXALGJYOCSAQ-CABCVRRESA-N 404.471 0.531 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1510116927 SUSZTHOWQIMJER-AUUYWEPGSA-N 419.507 0.837 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC1 1541945542 IMOBBIISEQYLFF-HUUCEWRRSA-N 411.532 0.103 30 20 HCED COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1555529399 OIZQUEYAPIRYFS-KRWDZBQOSA-N 402.503 0.447 30 20 HCED N#Cc1cn(CCC(=O)N(Cc2ccc(-n3cncn3)cc2)C2CC2)c(=O)nc1O 1625958744 VADQSJYMWCYNBU-UHFFFAOYSA-N 405.418 0.983 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1627617986 LNLFJTOUJMRUIP-DZGCQCFKSA-N 411.505 0.293 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1 1633662580 PNZLEEUVGSTLTP-MELADBBJSA-N 400.501 0.533 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(NC2CCOCC2)CC1 1650838351 OZTHKZKFNVZXFM-OAHLLOKOSA-N 420.535 0.985 30 20 HCED 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CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1838193146 QLOAWOJOUVIMBG-OAQYLSRUSA-N 413.478 0.521 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331807 PJZMZQBKRLAGQU-QFBILLFUSA-N 409.508 0.344 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1839238524 RQDJLFLDXSAWMG-OAQYLSRUSA-N 400.479 0.439 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379744 KWNQCYGDRYLSTH-HXUWFJFHSA-N 410.434 0.251 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)ccc([N+](=O)[O-])c1C)CCO2 1839429684 XVNYGPCPZTTXQO-LJQANCHMSA-N 405.382 0.746 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N(C)CC)CCO2 1839637791 UDLNXURRLKWJBJ-RXVVDRJESA-N 411.543 0.766 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1839840929 OEZCJJDYMMJRSX-DJPFJPOOSA-N 402.495 0.750 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(F)ccc3F)C2)C1 1840043421 XCCXQZDBNKLRTA-LJQANCHMSA-N 408.357 0.123 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1840168271 FHQIYQAYWJYCRO-HXUWFJFHSA-N 416.434 0.048 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C2)C1 1840168887 WZPPIHWGXIOMFF-UTKZUKDTSA-N 407.511 0.551 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C2 1841597890 AQMQIQKKPPXNNW-HUUCEWRRSA-N 409.483 0.114 30 20 HCED NC(=O)[C@H](N)CCC(=O)N1CCCC12CN(C(=O)/C=C/C(=O)c1cccs1)C2 1842945136 JLEFRFATYULZIZ-VUDGCMKMSA-N 404.492 0.283 30 20 HCED COCCn1nccc1C(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1843509304 IZMVYTHGSOAWDX-MNOULKQQSA-N 419.482 0.876 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)cc1)C2 1844286703 BTXDGADEBJKYAA-SFHVURJKSA-N 413.430 0.870 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)Cc1cc(Br)ccc1O)C2 1846196358 OQCGXPARGOMKQO-UHFFFAOYSA-N 421.247 0.989 30 20 HCED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)CN2C(=O)C=CC2=O)C1)c1cccs1 1846460286 ZOEYRWGUWBETKP-SNAWJCMRSA-N 413.455 0.615 30 20 HCED Cn1c(=O)n(C)c2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 50173293 VGQTWRBLUNGENS-UHFFFAOYSA-N 419.445 0.431 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 52702333 FRVDDLCLNTUJCZ-QGZVFWFLSA-N 414.462 0.391 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(S(N)(=O)=O)c2)c1 56044108 KNQXUIVMCFKOLE-UHFFFAOYSA-N 409.489 0.728 30 20 HCED COc1cc(OC)cc(N2CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)c1 409473597 ADCPYMTYZMRAJC-GOSISDBHSA-N 410.496 0.685 30 20 HCED C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)C1CCCC1)n1cnc(C#N)n1 409990433 BZAACERCFHZHGK-UMVBOHGHSA-N 424.469 0.226 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)CCO1 410124016 IZRGVCFJOMGUMK-SFHVURJKSA-N 405.480 0.195 30 20 HCED COc1cc(CN2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc(OC)c1OC 426877893 AVCUANYGPDAKSK-UHFFFAOYSA-N 400.439 0.520 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 429925288 ZWBBOVCZSUOXAQ-UHFFFAOYSA-N 421.401 0.464 30 20 HCED C[C@@H](C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 432193972 CBNXGNNQBZCNSX-ZDUSSCGKSA-N 412.899 0.981 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1=O 440286006 WCOJZAQBMVPIRG-OAHLLOKOSA-N 408.480 0.135 30 20 HCED C=CCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 440296583 OYEKGXXJICDJSW-QZTJIDSGSA-N 406.504 0.788 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCO)C3CCOCC3)n2)c(Cl)c1 441913384 XWPVSGIIVJQVLO-UHFFFAOYSA-N 417.853 1.336 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 442138328 PTGOVULOOYEVFH-RNODOKPDSA-N 413.434 0.778 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)n1 443258782 XDTXUCHOEUZMIW-MBOOFUKVSA-N 411.849 1.564 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCSC 443558657 UZLLHXXNESZPBX-UHFFFAOYSA-N 421.519 0.678 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 447363373 KJWGIILVTOCWNA-CQSZACIVSA-N 407.496 0.227 30 20 HCED Cc1nc(CN2CCN(CC#CCN3CCN(Cc4noc(C)n4)CC3)CC2)no1 472573232 FJHXJOZHGOFIJM-UHFFFAOYSA-N 414.514 0.008 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(O)(CC#N)C3)nnc12 473367759 IEKSTFOTTVFIOE-UHFFFAOYSA-N 410.459 0.809 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 473627461 AMQFCPGFJRMOFW-FQEVSTJZSA-N 423.517 0.816 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 478932476 UXSGNUXBHSZJGW-HNNXBMFYSA-N 408.480 0.410 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 479885603 KHTQMAWRMKLQEE-MRXNPFEDSA-N 421.523 0.665 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)CN3CCC[C@H](C)C3)CC2)c1C#N 481878466 FCMNUHZMZDFROJ-HOTGVXAUSA-N 415.542 0.485 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490796439 MDDGDJCLKRWCGF-UHFFFAOYSA-N 404.434 0.914 30 20 HCED CCCN1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C(C)(C)C1=O 495257940 ZAQCNVFFCIMFLO-UHFFFAOYSA-N 402.499 0.836 30 20 HCED Cc1ccc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)cc1S(=O)(=O)NCC#N 499618635 NGPNXFWXMCSVSN-ZDUSSCGKSA-N 413.521 0.835 30 20 HCED N#CCN(CC#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 503646856 DVJZDDOXIWISFI-UHFFFAOYSA-N 417.447 0.645 30 20 HCED Cc1cnc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 505242665 NLXZLUYYTSAQDA-UHFFFAOYSA-N 404.448 0.904 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1c[nH]nc1-c1nccs1 515009100 SMQKDZNJRFVIJT-NSHDSACASA-N 423.462 0.871 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccs2)c1=O 523476381 HXXQHDWGAATZQN-ZDUSSCGKSA-N 421.544 0.662 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 533082104 HGJUAOGPMZUTFP-JTQLQIEISA-N 402.379 0.248 30 20 HCED CC[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC(=O)N1 542560214 MINALWYJMRKALI-HOTGVXAUSA-N 404.492 0.696 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccccc2Cn2cncn2)CC1 551544459 WDMJRLIXCQWEQO-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cn1 552433108 RVPKXERWLJQGAW-UHFFFAOYSA-N 422.430 0.932 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)c(F)c1 554152448 XTDBKFVCEUXUGZ-IRXDYDNUSA-N 415.469 0.325 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c1 563756691 QSLGXDBVQDVKRK-ZDUSSCGKSA-N 404.414 0.837 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 566701078 UNMTVJZYHYWMSZ-JLSDUUJJSA-N 414.462 0.038 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)C1=O 568689736 RLDJZTXFXWYAKQ-SQNIBIBYSA-N 406.527 0.116 30 20 HCED N#Cc1cc(Br)cn(CC(=O)NCc2ccc(OCC(N)=O)cc2)c1=O 577427128 WTFNSNDNMFZPCV-UHFFFAOYSA-N 419.235 0.663 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 589295222 GPOFHDJCAJLZCB-KRWDZBQOSA-N 406.508 0.550 30 20 HCED CCOC(=O)[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)=O 590419173 DXMXHBWDYJNJEK-KRWDZBQOSA-N 421.475 0.550 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1CC(N)=O 610928902 XPDQQUJGLKDMOL-UHFFFAOYSA-N 424.935 0.529 30 20 HCED CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 611409198 DGYHUNIAPGKQDS-UYAOXDASSA-N 401.486 0.991 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 613709769 VTLXZLPAWKRHQK-UHFFFAOYSA-N 400.464 0.655 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCc2ccc(C)cc2C)CC1 670695620 MJMJIPVKGIYRPY-UHFFFAOYSA-N 400.523 0.799 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O 726042641 KSMZEJUPHIVDOT-DMAKZNTKSA-N 418.450 0.826 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCCN(C)c2ccccc2)N(CC(=O)NC)C1=O 726406647 LHPZAVRBRBUWHC-RHNCAKJLSA-N 405.524 0.695 30 20 HCED Cc1cc(C)cc(C=c2sc(=C(C#N)C#N)n(CCNS(C)(=O)=O)c2=O)c1 727165292 YFMNBPQACAABFO-UHFFFAOYSA-N 402.501 0.103 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CN(C)C(C)=O 729190964 GOUNRBDJCHHOCH-UHFFFAOYSA-N 400.391 0.388 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)NC(=O)NC(C)(C)C 729540172 TVRXLHNLWGETMW-LLVKDONJSA-N 410.452 0.393 30 20 HCED CS(=O)(=O)CCn1ccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 743208534 LVUUTJNTXCXHCE-UHFFFAOYSA-N 403.468 0.548 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1Cl 745479768 WJHLSMAPPPYDFQ-BQGCOEIASA-N 417.805 0.856 30 20 HCED C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCC2 746834536 HBTFMRZEVYHUBD-LBPRGKRZSA-N 402.480 0.920 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NS(=O)(=O)CCCF)CC2)cc1 747137752 PCNOIBQJUAQMLB-UHFFFAOYSA-N 417.484 0.765 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 747741728 KAQOOMBNISNGQS-UHFFFAOYSA-N 407.492 0.547 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 748384284 ZEGLBMIPBMAPPQ-SFHVURJKSA-N 403.395 0.746 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)OCc3ccnc(C#N)c3)cnc21 754718324 FHHDVJHKQIXDEJ-UHFFFAOYSA-N 403.196 0.903 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2F)c1=O 758050065 MVMQPBCRUBYTAM-UHFFFAOYSA-N 424.501 0.349 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nc(COC)nn3C2)cc1 758199705 YJVLZDBIAXKCQE-AWEZNQCLSA-N 403.464 0.081 30 20 HCED CCOC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 759949117 PEHIXOXTESZZHR-MRXNPFEDSA-N 409.464 0.200 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 761046117 CFKMKXNVKHZNEB-UHFFFAOYSA-N 416.413 0.568 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCS(C)(=O)=O 763459219 YUMYHLUUQPSITF-CYBMUJFWSA-N 421.544 0.411 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(=O)N(Cc2ccccc2)C1 763625609 FBCYBLTZTLZENQ-UHFFFAOYSA-N 412.471 0.944 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)c1 767035701 MWANXZCFLWCOOS-UHFFFAOYSA-N 401.444 0.992 30 20 HCED CN1C(=O)CN(N=Cc2ccc(OCCn3cc(C(=O)O)nn3)c(Cl)c2)C1=O 768379432 HPGMOORYDBNSQJ-UHFFFAOYSA-N 406.786 0.937 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)c3cc(S(N)(=O)=O)ccc3O)C2=O)cc1 769783872 GYJBQYBQDKWVBO-INIZCTEOSA-N 401.400 0.874 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 783012400 GELMHNZUMHLCNR-UHFFFAOYSA-N 412.487 0.692 30 20 HCED N#CC1(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 784185798 GBOTVNWFEQZAJN-UHFFFAOYSA-N 407.448 0.427 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 784757773 HEIVTWNPSANXON-CQSZACIVSA-N 402.407 0.575 30 20 HCED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cccc(OCC#N)c1 785285773 NNOUOACNOHCTBJ-KLHDSHLOSA-N 415.402 0.479 30 20 HCED C[C@@H]1[C@@H](C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)CCN1C(=O)OC(C)(C)C 786456786 MRESQAJKTJUDMP-RDBSUJKOSA-N 413.496 0.598 30 20 HCED CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 786912649 NKPNQIJYWKXDJP-UHFFFAOYSA-N 406.489 0.868 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2c(C)noc2C)CC1)c1cc[nH]n1 789957839 YMPMXZJBDNXFRZ-UHFFFAOYSA-N 418.454 0.643 30 20 HCED COC(=O)[C@H](CSCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)NC(C)=O 790012505 WNZCYUUDFHPMEE-ROUUACIJSA-N 418.519 0.806 30 20 HCED COc1cc(OC)c(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)c(OC)c1 790107357 MEOWACUTHFWEPW-UHFFFAOYSA-N 413.434 0.824 30 20 HCED 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SAURHJUFQCVWQW-UHFFFAOYSA-N 419.570 0.611 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)N1CSCSC1 1834761210 SZIOXWNYOQGJEI-RHSMWYFYSA-N 414.553 0.399 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1835355133 VLIRPAUQQXBRGR-HXUWFJFHSA-N 406.483 0.149 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)Cn3c(=O)n(C)c4ccccc43)CC2)CC1 1835455599 DIRNMQLLVDTKCI-UHFFFAOYSA-N 423.517 0.545 30 20 HCED CC#C[C@H](CC(=O)N1CCOC[C@@]2(CN(C(=O)CN)CCO2)C1)c1ccc(O)cc1 1835555165 LBUQWJPCYWIEKW-GCJKJVERSA-N 415.490 0.304 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)COCCO)CC2)CC1 1835717455 WIPHRWIKSYLZRH-GOSISDBHSA-N 411.543 0.140 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccnnc3O)CC2)CC1 1836060353 DHDCABFBVHMRQB-HNNXBMFYSA-N 417.510 0.959 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1837392747 HEYDPQZILQFXLN-UTKZUKDTSA-N 420.510 0.372 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440056 BGRSJVYAOSTWOG-DWFIAKGDSA-N 410.515 0.197 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1837668687 QYIPNGSFTFSDAO-VGSWGCGISA-N 421.538 0.961 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)CC1 1838358128 SBBKGCIYQKKVRM-GOSISDBHSA-N 409.483 0.463 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc([N+](=O)[O-])c(OC)c1)CCO2 1839136617 BRTFZRCOGAQIIE-FQEVSTJZSA-N 417.418 0.236 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1839174931 FGNUHIXAHOXAEJ-HXUWFJFHSA-N 405.451 0.594 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839226830 FIRQOVIURLPJIS-BEFAXECRSA-N 405.455 0.348 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839680191 AOXXZHSZCFSNSE-IFXJQAMLSA-N 411.455 0.554 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(OC)ccc3[N+](=O)[O-])C2)C1 1840173397 VONYVCLAHBQJQV-LJQANCHMSA-N 420.422 0.645 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840342008 QSSJIJPNBODMNU-ISGGHPHESA-N 420.469 0.931 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840357850 LODUBOLPKQVOMQ-RXVVDRJESA-N 417.510 0.893 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)no1 1840370255 PPWZNJKZGKCCEU-HXUWFJFHSA-N 402.451 0.676 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840381871 XDUIEPNROQFJMP-GOSISDBHSA-N 407.496 0.157 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CC(=O)NC)C1 1841560636 NWQXNMJFEUFMKB-CQSZACIVSA-N 408.499 0.795 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1845071309 WGSXSEYEZAAVIT-SJORKVTESA-N 415.538 0.873 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)N2CCN(C)CC2)C1 1845099550 BJERSEQTZOGYLM-QGZVFWFLSA-N 406.527 0.335 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C1 1845221156 FNBSYEQCIZLLQK-JKSUJKDBSA-N 423.510 0.504 30 20 HCED CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 14258644 QJJKRHOPTGZFPQ-OAHLLOKOSA-N 421.523 0.735 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 41618548 YHMRTGFHWUBKHY-CQSZACIVSA-N 415.537 0.552 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)ccc1F 108472163 HMPCDAXHCYQOOV-ZDUSSCGKSA-N 419.500 0.444 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(CC#N)C3CC3)CC2)cc1OC 109870052 ZYDOGDAXBWNTEV-UHFFFAOYSA-N 422.507 0.525 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC 409511681 GJHXMUARYRALTJ-KRWDZBQOSA-N 408.480 0.948 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CCO1 409579965 ILQOIKBYNIZDKF-VXGBXAGGSA-N 403.258 0.034 30 20 HCED CN(C[C@@H](O)COc1ccccc1C(F)(F)F)S(=O)(=O)N1CCO[C@H](C#N)C1 410118803 IGSHWGNPAVGTLR-CHWSQXEVSA-N 423.413 0.846 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCCCCN1C(=O)c2ccccc2C1=O 410143575 CWYMUOPCLLDWPQ-UHFFFAOYSA-N 408.480 0.759 30 20 HCED COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 427056567 HUAIJKBHBFDQKO-UHFFFAOYSA-N 424.870 0.345 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(CO)CC2(CCC2)C1 435150241 PJPKBOUAQVCHMO-UHFFFAOYSA-N 408.462 1.445 30 20 HCED N#Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(OC(F)F)c1 437887553 HPDMAPFPSGHKAK-HUUCEWRRSA-N 401.435 0.747 30 20 HCED N#CCCn1ccc(=NC(=O)C(=O)NCCN=c2ccc(-c3ccccc3)n[nH]2)[nH]1 439032661 ILBGXMWVRPUKAI-UHFFFAOYSA-N 404.434 0.264 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(C)(C)O)[C@H](C)C1 444551000 PULOAAUXJJOGIX-HUUCEWRRSA-N 408.524 0.529 30 20 HCED CN1CCC2(CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)C1=O 446517407 GYCPKYJORQIJTB-UHFFFAOYSA-N 404.492 0.963 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(OCC(N)=O)c1 465282995 KTXQTYVVLLYFKQ-CQSZACIVSA-N 409.450 0.633 30 20 HCED COC(=O)CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 471148679 VCMJDUZMQCBSPT-UHFFFAOYSA-N 422.507 0.135 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(CC)o2)c1=O 471208753 WFPJKKLUZPWFSC-UHFFFAOYSA-N 401.488 0.837 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(CNS(C)(=O)=O)o3)CC2)c1C#N 471681920 BWJVZKSXFXLBOT-UHFFFAOYSA-N 406.468 0.205 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCCS(C)(=O)=O 477279179 HENFUXCBEQAOIZ-CYBMUJFWSA-N 401.510 0.556 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1 477367191 JIENEKSIYAXNMW-HNNXBMFYSA-N 406.508 0.956 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2S(=O)(=O)c2ccc(C#N)cc2OC)cn1 481244902 FCFTXWKHHSUBJC-HNNXBMFYSA-N 424.504 0.944 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H](N(C)C)C3)CC2)c1C#N 483430887 OSNRXDDMCYFORU-HZPDHXFCSA-N 401.515 0.238 30 20 HCED C[C@@H]1CO[C@@H](CO)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 492378566 ZZWQSKQAHHFTJT-RHSMWYFYSA-N 407.492 0.567 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2cccc(Br)c2)cn1 496358719 QXAGKDKJWDGBRR-ZDUSSCGKSA-N 412.269 0.842 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)c1 501334326 HXIHBVAZXGINLC-HNNXBMFYSA-N 409.464 0.045 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1cccc(C)c1 502050953 KRWHXMHVOMLISL-UHFFFAOYSA-N 407.499 0.970 30 20 HCED CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC(=O)NCC#N)c1 511010968 COEXSYPYVWJVOR-UHFFFAOYSA-N 404.242 0.544 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 511203552 YCAJFFBYOAHGGL-JTQLQIEISA-N 412.896 0.826 30 20 HCED N#Cc1ccc(CN2CCC(N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)cc1 513232444 HSSJFXVPIIRNNF-RTWAWAEBSA-N 418.563 0.610 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 515160313 SOEQZVWABYEQNP-RTBURBONSA-N 420.535 0.721 30 20 HCED COCCNC(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 521155373 XQDZBVYEJCFEMZ-UHFFFAOYSA-N 401.423 0.901 30 20 HCED CCOCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccnn2C)c1=O 523735675 YOELLNKHAOXBKG-UHFFFAOYSA-N 424.486 0.217 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CC#N)CC2)o1 524813432 OFLXYMZBJMYUQW-CQSZACIVSA-N 424.479 0.277 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1C 534932052 QDYCDQHYASMRSA-MRXNPFEDSA-N 407.434 0.535 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 537003042 BXKXOGZVYADXIW-HNNXBMFYSA-N 415.498 0.213 30 20 HCED CC(C)OC[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 546740492 MLNFVNNPMULZRY-OAHLLOKOSA-N 415.425 1.474 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)c1c(F)cc(C#N)cc1F 554709367 WUYYVYHRIHLAEX-GFCCVEGCSA-N 422.479 0.776 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 554895803 RILJAHXMKKTKIO-UHFFFAOYSA-N 404.514 0.867 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCCOC[C@H]2CCCO2)CCN1Cc1ccccc1 555762789 MJFICTBWUYNFFC-VQTJNVASSA-N 414.506 0.925 30 20 HCED N#CC(C(=O)c1cccc(F)c1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 562565139 MNWSXLKFZUZIGB-UHFFFAOYSA-N 422.397 0.385 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)CC2)c1C#N 569371190 WAPPSGZROBFLOO-USXIJHARSA-N 400.483 0.323 30 20 HCED Cc1noc([C@@H]2CC[C@H](CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)O2)n1 570891231 GRHQIMHVPPFELG-HIFRSBDPSA-N 405.436 0.565 30 20 HCED CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCc2cccc(C#N)c2)cc1 571901575 IADXNVHFBWOLHP-CYBMUJFWSA-N 400.460 0.960 30 20 HCED Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(C)(=O)=O 572212006 OZHNEBZXLCHRRH-UHFFFAOYSA-N 421.500 0.865 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCN(CC(F)F)CC3)C2=O)cc1 576306869 NVFUGUOORXQXGO-INIZCTEOSA-N 419.432 0.579 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1CC(N)=O 589159777 SHAYCXALVMHXHH-UHFFFAOYSA-N 421.425 0.725 30 20 HCED COC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1 589492270 YZFOSGYETVCWSP-MRXNPFEDSA-N 402.432 0.652 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)CC1 604160251 AELURIRIXNSPHK-SFHVURJKSA-N 403.527 0.927 30 20 HCED C[C@H](C#N)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 609524532 PJPDBJWZBCGYKL-OAHLLOKOSA-N 422.507 0.434 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COc1ccc(S(N)(=O)=O)cc1 610704605 BXUGSRVDOKYQSF-ZDUSSCGKSA-N 416.463 0.112 30 20 HCED N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1C[C@H](O)C[C@H]1CO)CCCC2 613743173 XPCSRBSNMZQSJS-ARFHVFGLSA-N 402.495 0.784 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1nc(C)n(C)c1C(=O)NCCO 617886505 HAMICLNIHZHBKV-UHFFFAOYSA-N 400.439 0.611 30 20 HCED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 679752963 HWBPPDBWRXGPOF-UHFFFAOYSA-N 417.437 0.936 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 685057370 SFPKKKOFQVGMJQ-SJLPKXTDSA-N 421.519 0.940 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 728533289 FYVXGTDYWPDNPT-UHFFFAOYSA-N 420.491 0.730 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)CC1 728572466 FSVTUHAFMAJXTE-UHFFFAOYSA-N 418.519 0.329 30 20 HCED CCn1c(=O)nc(O)c2c(C(=O)OCCn3ncc(C#N)c3N)cc(C3CC3)nc21 731773398 OOPQCNGXHLDYRJ-UHFFFAOYSA-N 409.406 0.902 30 20 HCED CCN(CC)C(=O)CN1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 735845210 JTNXMHLMXYLIOS-VXPUYCOJSA-N 405.499 0.306 30 20 HCED CN(CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738674198 OJCASQAOBYTHRU-QGZVFWFLSA-N 424.435 0.567 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(C)(C)NS(C)(=O)=O)c1 742049491 ZKUAYYMLJVMENG-NBVRZTHBSA-N 416.525 0.766 30 20 HCED CC(=O)NC[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 742494126 MXVWYPMOOXMMDD-HNNXBMFYSA-N 406.508 0.880 30 20 HCED C[C@H](CC(=O)N1CCN(C(=O)N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742535550 UTWICAOHIJFZBD-CYBMUJFWSA-N 407.496 0.330 30 20 HCED CN(C(=O)COC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)C(C)(C)C#N 745387413 MWFMVVIDTTVZAP-CQSZACIVSA-N 414.418 0.220 30 20 HCED COc1cc(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)cc(NS(C)(=O)=O)c1OC 745539286 ROFRPJAJFUYOOG-NSHDSACASA-N 413.452 0.993 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)CC1 751982217 INAUQOLCSOREJO-SFHVURJKSA-N 420.487 0.703 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1C#N 752406599 YVZJOPLVBCWHML-ZDUSSCGKSA-N 408.436 0.759 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)nc1 757247095 HHVYUDLDEBOPHU-UHFFFAOYSA-N 408.340 0.844 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1 758162519 AVCXJQZJXQNVRF-UHFFFAOYSA-N 418.496 0.858 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCCN1CCC[C@@H]1CO 763072019 FLOMXBDTXFNQNY-OAHLLOKOSA-N 408.524 0.468 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cc(=O)n2ccccc2n1 766298664 KRHFTZUUBPTQDF-ZDUSSCGKSA-N 412.427 0.976 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC([C@@H](O)c2nccn2C)CC1)c1cc[nH]n1 772433032 FLSMONBLPUKKHO-QGZVFWFLSA-N 418.454 0.399 30 20 HCED COc1cccc(-c2nc(C)c(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)[nH]2)c1 772663515 LYLISCIPGVUZJR-OAHLLOKOSA-N 416.459 0.973 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)[C@@H]1CCCO1 773788592 JSJQKVQACAXIAD-ZBFHGGJFSA-N 416.459 0.511 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)O[C@@H](C#N)Cc2ccc(F)cc2F)n(C)c1=O 774312126 XYFHFIAPBPQKMT-CYBMUJFWSA-N 417.372 0.780 30 20 HCED C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@H]1CCCO1 775563118 UYBYRVXJAMJBFL-QZTJIDSGSA-N 406.508 0.925 30 20 HCED Cc1nc([C@@H]2COCCN2C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 779694659 ZRDAIFRSLYAYMX-RISCZKNCSA-N 419.463 0.795 30 20 HCED CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 782369166 LMAHNBGKDYEJNV-UHFFFAOYSA-N 405.367 0.711 30 20 HCED CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 786741146 YIFQVAUUUFJNJJ-UHFFFAOYSA-N 416.482 0.633 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C)c1nnnn1C 787570800 RLZJFOXHGKLJNV-AAEUAGOBSA-N 406.468 0.968 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccc(C(=O)NO)cc2)c1 788252824 AYPALIZUFBHUEJ-UHFFFAOYSA-N 419.459 0.993 30 20 HCED CCOC(=O)CON=C(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc[nH]n1 789948669 CJIDZYFYUUVDKZ-ZIAGYGMSSA-N 409.487 0.698 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccsc3)c2=O)cn1 790439813 WZZJOEBTLOSTSU-UHFFFAOYSA-N 411.512 0.819 30 20 HCED C[C@@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 798796842 GXEBBPJNIBQXTL-CZUORRHYSA-N 416.459 0.935 30 20 HCED Cc1ccc(C(=O)OCCN2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)cc1C#N 799607339 IZUGPWURNMUBAT-UHFFFAOYSA-N 409.446 0.575 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2=CCCOC2)cc1 807519649 NXEJLSCKJRYYPJ-OQKWZONESA-N 420.491 0.901 30 20 HCED CCOC(=O)CC[C@]1(C)NC(=O)N(CN2CCN(c3cc(C#N)ccn3)CC2)C1=O 808138856 WGCBTDACLHFKLM-FQEVSTJZSA-N 414.466 0.687 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCNc2ccc(C#N)cn2)c1 810086085 AIQNTHOTOSAVLC-UHFFFAOYSA-N 401.448 0.662 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)n1 810377977 KKPOFZTZAZVMMT-YJBOKZPZSA-N 420.429 0.678 30 20 HCED Cn1ncc(C(=O)OCC(=O)N(CCC#N)CCC#N)c1I 815514194 JNTLJBZTQBGUTF-UHFFFAOYSA-N 415.191 0.837 30 20 HCED C[C@@H](CC(=O)Nc1ccnn1CCN(C)C)/N=C1/NS(=O)(=O)c2ccccc21 818937696 LTVCXWBSODGDEX-ZDUSSCGKSA-N 404.496 0.901 30 20 HCED N#CCc1ccccc1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 829352800 DBPLKIJSRCLZIC-MRXNPFEDSA-N 405.476 0.241 30 20 HCED COC(=O)c1cn([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)nn1 1116579485 SDXNDXNZDWBQLA-GDBMZVCRSA-N 408.418 0.763 30 20 HCED N#CC1(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCOCC1 1216854378 NQWPBZSVCDODGB-UHFFFAOYSA-N 409.468 0.544 30 20 HCED N#CC1(CCCOC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CCOCC1 1256594343 GTUONXOUCHLLQG-CQSZACIVSA-N 411.480 0.796 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NCCCN3CCCC3=O)CC2=O)cc1 1337953448 ZTBMNHFKUNYUEC-INIZCTEOSA-N 412.446 0.583 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)C(C)C 1360240523 JSPVDKALSYWRJA-INIZCTEOSA-N 416.530 0.365 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1507868717 NUOTYYXZIDKQIA-KGLIPLIRSA-N 401.920 0.454 30 20 HCED CC(C)C(=O)N(C)Cc1ccc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 1515101970 XSBFWTLQYFAHTM-KRWDZBQOSA-N 419.503 0.880 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)cc1 1521110043 IRIFSAWVNVFWBW-SFHVURJKSA-N 421.461 0.984 30 20 HCED Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1543007109 ZPZRJVJWMIELSY-KDOFPFPSSA-N 421.527 0.428 30 20 HCED C[C@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1545126063 WQPFVMGYMSYITJ-KXBFYZLASA-N 405.478 0.563 30 20 HCED N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1663859919 XGJALJLAWVVZEY-IBGZPJMESA-N 410.515 0.913 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)C3CCOCC3)CC2)nc1 1683844172 WGKUHZBPHZNGFD-UHFFFAOYSA-N 421.523 0.815 30 20 HCED CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692559917 NXGYZHFOHXBQOZ-OAHLLOKOSA-N 402.503 0.117 30 20 HCED CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1698304534 WXRFRVHHRKWTBC-UHFFFAOYSA-N 423.520 0.486 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)CC1 1731186735 XKEPUUJDIFIJKH-QGZVFWFLSA-N 401.515 0.816 30 20 HCED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1750059714 UBCURDQXNKKQED-ZIAGYGMSSA-N 411.532 0.294 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1750208218 LQUZVGSRZJMBCU-CABCVRRESA-N 417.495 0.493 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CC3(O)CCOCC3)CC2)c1C#N 1751827783 LHLRWWLXVMRFRS-UHFFFAOYSA-N 400.487 0.368 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cnc(O)nc3O)C2)C1 1778004380 ANNNDSCSJYQGJF-FOIQADDNSA-N 402.451 0.982 30 20 HCED CC[S@](=O)CCC(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1778820706 IKGDVMNLTOISES-LGGPFLRQSA-N 424.563 0.674 30 20 HCED CC[S@](=O)CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1778821469 SPMYSPUGUONZRC-ZAPUSCAOSA-N 401.529 0.776 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)(C)C(=O)OCC)CCO2)C1 1778977631 VKHHSRLNUHZWAJ-VFNWGFHPSA-N 410.511 0.979 30 20 HCED CC(=O)O[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2)C(C)C 1779210450 GHZIDNWLOWTNLN-MOXGXCLJSA-N 408.451 0.176 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](COC)NC(C)=O)C2)C1)C(F)(F)F 1779320514 XRTMHNIZCMARSO-XJKSGUPXSA-N 407.389 0.086 30 20 HCED COc1cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)ON=C(C)C)CCO3)nn1C 1780435096 RFEQBEGCMRRTFO-LIRRHRJNSA-N 407.471 0.673 30 20 HCED CNc1nsnc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781389621 XWTLXPLNMPVHFN-SJCJKPOMSA-N 410.500 0.824 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)Cc2ccccc2)C1 1781895412 CLMPAJSQQDOZLS-JBYIUTFZSA-N 414.458 0.192 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COc1ccc(F)cc1)C2 1782011326 ZQGNOAABNQMQIX-DYESRHJHSA-N 418.421 0.806 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3ncc[nH]3)C[C@@H]21 1783533045 MMUFZNFJWPLTMD-YPHDOGSUSA-N 415.494 0.180 30 20 HCED Cc1cc(O)c([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1783563598 USEPYWHDGBLIOX-IBGZPJMESA-N 417.374 0.140 30 20 HCED CSc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1O 1783566635 GEHJCCJIVMFVRV-LJQANCHMSA-N 404.444 0.646 30 20 HCED COc1cccc(CC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)c1C 1783567422 OGHFZVDYSFFLJE-NRFANRHFSA-N 400.431 0.464 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4[nH]ncc4c3)C[C@@H]21 1784483542 AOEWCBUPROQPAP-BODMPHMZSA-N 411.462 0.590 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc4ncccn4n3)C[C@@H]21 1784483742 KGRCYULFIXANHI-OVWQWFNUSA-N 411.462 0.361 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(CCN(C(=O)CCn4ccnn4)C3)C2)c1 1784532386 HNMUJPLNTKACKY-FQEVSTJZSA-N 412.425 0.823 30 20 HCED N#CC1(C(=O)N2CC[C@@]3(CN(C(=O)c4cccn5c(O)nnc45)CCO3)C2)CCC1 1785365054 LQZQOOCQSDAQLA-HXUWFJFHSA-N 410.434 0.572 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)c4cnc5c(c4)CCNCC5)CCO3)C2)CCC1 1785369482 MAIGQUHHZOHNAQ-QHCPKHFHSA-N 423.517 0.907 30 20 HCED C/C(=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2)C(=O)O 1785419631 HYFVTPARGUENAU-PLTPHKKDSA-N 413.430 0.798 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)n1cccn1 1786860167 NEYSKTVKELVOLG-OWSLCNJRSA-N 416.526 0.706 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789343189 QKEKYYLKQCYQNK-DYWXZXKOSA-N 422.507 0.160 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC#N)C[C@@H]21 1790174402 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CC(=O)N/C(C)=C/C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838720945 FOTGOBSQHYGWLV-BUHFOSPRSA-N 405.451 0.113 30 20 HCED C[C@]1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)CCCN1 1838907722 LACJQAXOUFIFNH-YADHBBJMSA-N 412.490 0.770 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc3ncnn3c1)CCO2 1839048178 OCTWQCSEANGQFE-HXUWFJFHSA-N 412.450 0.032 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)N2CCN(C)CC2)CCO3)C1 1839101514 OCRHZSCDZQOFFJ-GCJKJVERSA-N 420.554 0.045 30 20 HCED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362192 CGGPODWNJZQKHB-JOCHJYFZSA-N 414.506 0.822 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)c1 1839452195 MCVLOYICKFQVNZ-NRFANRHFSA-N 409.446 0.974 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncsc3Br)C2)C1 1839808336 OAZIJNXEGCRMFC-OAHLLOKOSA-N 414.281 0.609 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839843361 ZNWXBOBVQIJFBV-KKSFZXQISA-N 403.479 0.668 30 20 HCED 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COc1ccc(CN/C(N)=N/CCS(=O)(=O)NC[C@H]2CCCCO2)cc1OC 304760847 SYMKMDPOSFECDR-OAHLLOKOSA-N 414.528 0.597 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 409555541 NQQZPJNUNYEKPS-GFCCVEGCSA-N 422.479 0.607 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O)C(=O)OC 435949220 KXHGJIKNUGWMST-HNNXBMFYSA-N 413.452 0.491 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 437037661 CJCIDACZFHHRHW-PBHICJAKSA-N 407.492 0.581 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCOC1 441921065 KIQOXHZKCHGXMP-OAHLLOKOSA-N 412.515 0.679 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1 447204548 UCLMMBYVCNBQSB-UHFFFAOYSA-N 401.510 0.671 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@H](n2cccn2)C1 460576762 OHUCQXMCUVUZEU-INIZCTEOSA-N 404.434 1.446 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 462455324 NFOGGXDGSGXHCJ-UHFFFAOYSA-N 410.463 0.655 30 20 HCED COC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465408218 SWDVGVWCJOWGLO-CYBMUJFWSA-N 408.418 0.811 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 478356321 CZZMOANOFUNTMU-VQIMIIECSA-N 407.492 0.975 30 20 HCED N#CCN1CCC[C@H](CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1 479906348 ZQTDLWJWECDNOX-CYBMUJFWSA-N 400.451 0.985 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 481436634 NOWXEYAVIOUUEA-SWLSCSKDSA-N 411.505 0.403 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C#N)cs2)c1=O 481982579 OOVCQARUVCHBGD-UHFFFAOYSA-N 402.501 0.519 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(CCC#N)CCCN(C)C)[C@@H](C)O)cc1 499671541 SMVWBJXHBCUWBB-SJLPKXTDSA-N 410.540 0.717 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)cc1Br 499806825 ZTVFFWAOWOMVPU-UHFFFAOYSA-N 405.212 0.529 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1Cl 503450905 YOFJVASZSYIYHR-LBPRGKRZSA-N 419.912 0.526 30 20 HCED COC(=O)[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@@H](C(=O)OC)C1 503889005 ZHBXXJYKKWVVGN-GXFFZTMASA-N 411.392 0.582 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 504096041 NFGUUVDKWLMQAI-UKRRQHHQSA-N 413.521 0.651 30 20 HCED C[C@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)S(N)(=O)=O 507715092 DEOQWKFQYZWWJW-LLVKDONJSA-N 407.452 0.816 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)n1 510633954 ZVFGBHQMVOUREK-CQSZACIVSA-N 418.255 0.795 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 514003497 PAPMEBLNZKMQLP-UGSOOPFHSA-N 405.480 0.371 30 20 HCED CN(CC(=O)NCCS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 518674416 DOCXQXKPGZXAEK-UHFFFAOYSA-N 421.500 0.769 30 20 HCED C[C@@H]1CCC[C@](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)(N(C)C)C1 519724397 RKZPMAFSSQYZMT-VLIAUNLRSA-N 403.531 0.881 30 20 HCED CN(CC(=O)NCc1n[nH]cc1Br)S(=O)(=O)c1ccc(C#N)cc1 524686228 FDGQKZMQWDTHTE-UHFFFAOYSA-N 412.269 0.981 30 20 HCED CNS(=O)(=O)[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 533545315 JWEDAIJPUGVJTO-HNNXBMFYSA-N 403.426 0.797 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 550799339 HVZTUKCDKMTVBI-UHFFFAOYSA-N 418.479 1.404 30 20 HCED Cn1cc(CCCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 552984091 PCFMILTZNRNVAO-SFHVURJKSA-N 408.462 0.652 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 556361021 LMRAHQOEOODXJO-QGZVFWFLSA-N 420.477 0.177 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 556785030 OQFJPWDOWFWZAJ-UHFFFAOYSA-N 424.482 0.561 30 20 HCED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 559723328 SORRYSYUQZMPNN-KRWDZBQOSA-N 411.506 0.720 30 20 HCED CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 572760686 VVEQVAQYCKCKJH-WWTSWKCXSA-N 417.535 0.798 30 20 HCED CCO[C@@H](C)c1noc(CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 584560513 PPSKZHAXHIEXNG-LBPRGKRZSA-N 407.452 0.976 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1 608229371 FMTIBDVQZONSOK-GUYCJALGSA-N 417.491 0.808 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 610808251 BVAANKKNMPIDOM-AEFFLSMTSA-N 419.551 0.463 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 727191512 CNBQGUNJGYWQAB-BMFZPTHFSA-N 419.434 0.702 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CC)c3)c2=O)c1 732563535 CFVBJCOWSKBATQ-UHFFFAOYSA-N 403.467 0.346 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NS(=O)(=O)CCC)c2)CC1 733148898 NJRQEVGLYWOAOJ-UHFFFAOYSA-N 420.535 0.736 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)CC1 733150092 AIIWSRURCCWQGM-MRXNPFEDSA-N 408.568 0.608 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCN(CC#N)C3)C2=O)cc1 742183084 APQIDCLVVDMFSC-VFNWGFHPSA-N 413.478 0.814 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)NCCCN1CCCC1=O 742733873 HNOBRFCGXISROL-UHFFFAOYSA-N 402.451 0.880 30 20 HCED N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1N1CCC(O)CC1 743835234 POEMMPVMYOGOPF-LFGUQSLTSA-N 424.457 0.620 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C#N)s2)c1=O 748791706 YAQOJCKBBFBXDK-UHFFFAOYSA-N 416.528 0.765 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 757896438 GMOGMQSMOZNRAB-AWEZNQCLSA-N 416.500 0.561 30 20 HCED COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN3CCN(CCC#N)CC3)C2=O)c1 760943050 HCSZNWCERWBTHP-HXUWFJFHSA-N 414.466 0.025 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761160704 OAGCJLBSMXKCOD-ZDUSSCGKSA-N 417.441 0.478 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)c3nccn3C)C2=O)cc1 770866039 OQWFPIHDCXZHEF-JLTOFOAXSA-N 409.402 0.787 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@@H]1CCCO1 773796747 QBFGLFZFAQQZPE-OALUTQOASA-N 412.490 0.619 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@H]1O 774490686 KMVBSTSWVDAFDF-AWYIAAKZSA-N 422.507 0.667 30 20 HCED C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NS(=O)(=O)CCCC#N)n(C)c2)C1 776117375 OZNMYCIMRLNPAQ-ZDUSSCGKSA-N 416.525 0.809 30 20 HCED CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCC1)S(=O)(=O)c1cccnc1 779315124 PDTXCDMRKQJXTL-UHFFFAOYSA-N 400.482 0.232 30 20 HCED C[C@@H](C#N)CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 781943440 FAMQOIDIZAROQQ-ZDUSSCGKSA-N 415.516 0.422 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CN(c2ccc(F)cc2)C1=O 782875562 YOWLOLVYAUOMAE-OAHLLOKOSA-N 416.434 0.786 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 783011179 LRHZPPNUFJMNDQ-UHFFFAOYSA-N 415.537 0.444 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)nn1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 783482112 UUEVDGVGKWBUEC-QGZVFWFLSA-N 414.487 0.827 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 783544782 CWLUHUKXQMZHNV-UHFFFAOYSA-N 424.479 0.594 30 20 HCED C#CCCCNC(=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 787563608 XUAYVAFYGAFJTA-UHFFFAOYSA-N 400.479 0.493 30 20 HCED C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)NCCNc1ncccc1C#N 787787425 KHYOUEYRNGUCMM-AWEZNQCLSA-N 416.482 0.949 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cccc(OCC)n2)c1=O 794644548 DYVLJOZBHUEDSE-OAHLLOKOSA-N 423.494 0.835 30 20 HCED C[C@@H](C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cnc(C#N)n1 798816614 NMLFIQKCMJHAOD-BBRMVZONSA-N 422.405 0.677 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 799081140 HEYVZMOGYBKZSB-CVEARBPZSA-N 414.911 0.764 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c1 810940067 YGGHKZVSKQTYHL-FUHWJXTLSA-N 403.460 0.437 30 20 HCED C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)[C@H]1CCS(=O)(=O)C1 919988776 DXTNBEOBJPBGQC-AWEZNQCLSA-N 424.500 0.809 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 999099085 MHWHHXPWHLOPSQ-MLEONAHRSA-N 402.451 0.329 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(CCN(C)C)c1 1006387146 AGTGJVTYSGZXIY-QQXKLLMISA-N 401.511 0.898 30 20 HCED CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)C1CCCC1 1211881284 MAJOYVWHXWTNLS-QGZVFWFLSA-N 414.553 0.932 30 20 HCED CO[C@@H](C)c1noc(CN2CCCN(C(=O)NC3CCN(CC#N)CC3)CC2)n1 1252630186 VHVFVJMLQIFBOI-HNNXBMFYSA-N 405.503 0.982 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCC1 1288159705 IDIITUZSUZZTTM-KRWDZBQOSA-N 400.531 0.689 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H](C)c2ncn(C)n2)C1=O 1324270081 VIMBAUOPJAKSPZ-GWCFXTLKSA-N 415.479 0.743 30 20 HCED CN(c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 1517036969 JGDZQPAWIZJGSV-INIZCTEOSA-N 412.479 0.732 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539775329 KXTZKBXCCMPCTE-VXGBXAGGSA-N 417.923 0.197 30 20 HCED C[C@H](CC(=O)N[C@@H]1CCc2nnnn2CC1)/N=C1/NS(=O)(=O)c2ccccc21 1570433086 KCNLGFUTIFOQAC-VXGBXAGGSA-N 403.468 0.012 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCN2CCCO)c1 1620349220 NHKOGNSNDSONBY-GOSISDBHSA-N 409.494 0.600 30 20 HCED N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1620358641 ZPWBRIKHPDXMGM-GOSISDBHSA-N 417.495 0.415 30 20 HCED CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033951 LRJUOMLCKSIADQ-KBXCAEBGSA-N 423.473 0.936 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1664393352 YZTVEMWISZAWPK-AWEZNQCLSA-N 414.505 0.996 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(c2snc(C)c2C#N)CC1 1674968022 HAOMSMMIJKPIBO-RYUDHWBXSA-N 408.484 0.221 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)n1 1742713133 LLYPAVFSOBHSMU-QZTJIDSGSA-N 414.514 0.589 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1750387598 WTYYLZKPVCNZON-CQSZACIVSA-N 418.479 0.009 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1763201836 VCBZJJXGFWOWOU-UWJYYQICSA-N 409.494 0.598 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)cc1 1778846314 ZWGXFJZZAIZRDN-OAQYLSRUSA-N 423.477 0.264 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779057586 LXSRVZWSVQLSLE-CKJXQJPGSA-N 417.510 0.680 30 20 HCED 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CC(=O)NCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838908042 DFCCRXHMZMLGEK-OAQYLSRUSA-N 414.462 0.154 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1839223214 PQNJSQBKWKZSLR-CXAGYDPISA-N 411.484 0.409 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1839225839 WFVQBLHMDJVWPF-CPUCHLNUSA-N 403.426 0.899 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3OCCC4)CCO2)C1 1839519010 PYXNPJVLZPUWOZ-IIBYNOLFSA-N 418.494 0.948 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839625269 KNKXRZVWIJEPQH-IBGZPJMESA-N 403.414 0.515 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1)C(F)(F)F 1839893521 YCGJWIDZDBQVJV-MRXNPFEDSA-N 400.357 0.665 30 20 HCED COc1cnc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)c(F)c1 1840158708 PDGPKBYXTXWELZ-SGTLLEGYSA-N 413.471 0.618 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3C(N)=O)C2)C1 1840164019 WJSFCVJATFJWQM-YJYMSZOUSA-N 407.492 0.174 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1840844429 VWAKJCJABSIKFW-FQEVSTJZSA-N 415.425 0.352 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)Cn1c(=O)n(C)c3ccccc31)C2 1841600467 BWWQUUFBTFUQRO-INIZCTEOSA-N 410.474 0.582 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)Cn3cnnn3)C2)c(C(F)(F)F)n1 1843083518 KVBZHOBNCWCPIB-UHFFFAOYSA-N 420.355 0.476 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NS(=O)(=O)CC)C2 1844235221 RJCMZWVPFXYMQL-KGLIPLIRSA-N 401.529 0.091 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)C2 1846194736 LIBUEEQGDTXTMI-UHFFFAOYSA-N 423.425 0.354 30 20 HCED CC(=O)[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 10825709 GFANPDMALZZEEB-IBGZPJMESA-N 406.508 0.594 30 20 HCED CC(C)Cn1c(N)c(C(=O)COC(=O)COc2ccccc2C#N)c(=O)n(C)c1=O 11213303 KSVYZFKGZYFOSL-UHFFFAOYSA-N 414.418 0.462 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 144456713 MWMULRWASXNKHK-HNNXBMFYSA-N 415.494 0.954 30 20 HCED CSc1nnc(CCCNS(=O)(=O)N2CCO[C@@H](C#N)C2)n1CC(C)C 409538349 XXXIFCNIEGSUGJ-ZDUSSCGKSA-N 402.546 0.647 30 20 HCED Cc1sc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c1C 427011201 DCWPWURWFMSMEU-HUUCEWRRSA-N 412.537 0.263 30 20 HCED CN(CC(=O)N1CCOC[C@H]1[C@H]1CCCC1=O)S(=O)(=O)c1ccc(C#N)cc1 427923679 GSLBHXCUGZWCAD-SJORKVTESA-N 405.476 0.775 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 434423076 CMRJFDRUKDHONR-UHFFFAOYSA-N 422.445 0.511 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 439209357 CZHMPLJBPYFAJC-GDBMZVCRSA-N 410.409 1.091 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441955514 QWXMJSWTEJUARF-ZDUSSCGKSA-N 412.471 0.439 30 20 HCED COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Nc1ccn(CCC#N)n1 444419223 YGVYOSWLJFNLDN-ZDUSSCGKSA-N 420.495 1.495 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(C)c1C(F)(F)F 445128516 BCVMCLRTVDTHIN-JTQLQIEISA-N 422.371 0.776 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)NCc3ccc(OC)cc3)no2)C1=O 445412174 NCXNPVXOVAUYJK-UHFFFAOYSA-N 413.390 0.414 30 20 HCED Cc1c([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cnn1C 468874926 GSGBYUNSVSADQG-JXFKEZNVSA-N 407.478 0.863 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)oc(=O)n4C)CC2)c1C#N 472860880 ODBZIUMLLWMRLQ-UHFFFAOYSA-N 423.433 0.332 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1 475472487 PLCVTDFXMNSRQT-UHFFFAOYSA-N 411.480 0.783 30 20 HCED Cn1c(CC#N)nnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 477042587 ZDEGCSKKGHUJBE-UHFFFAOYSA-N 420.520 0.506 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1Cc1ccon1 480954497 SJQQDAFHUPOFBV-UHFFFAOYSA-N 422.466 0.760 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)n1 481275714 NMKYECPANLRERU-GFCCVEGCSA-N 407.427 0.896 30 20 HCED C=CCOC[C@@H](NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 481753959 WEEICJMBBXYQGF-LSDHHAIUSA-N 404.419 0.671 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1CCN(CCN(C)C)CC1 482162739 IRTFHFVNUUXXSO-MRXNPFEDSA-N 421.567 0.615 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C[C@@]2(CCCOC2)O1 485277978 YEFCUJWGPLIDAY-QVKFZJNVSA-N 424.461 0.933 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 489005255 DAQXNOWZFQBNCV-HZPDHXFCSA-N 411.483 0.592 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508896849 UVNMGQUBMYAKIB-UHFFFAOYSA-N 401.515 0.445 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 512451574 JATUSIZPXMPLJD-MSOLQXFVSA-N 405.524 0.687 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1Cn1cncn1 512452701 BYGSOYNBGCOAST-OAHLLOKOSA-N 424.490 0.887 30 20 HCED C=CCNC(=O)CS(=O)(=O)Cc1cc(=O)n2cc(Br)ccc2n1 514533881 UIPJBUOKNZDDSJ-UHFFFAOYSA-N 400.254 0.674 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1Cl 515972864 IMCOHSLBVKJVOW-UHFFFAOYSA-N 417.853 0.443 30 20 HCED Cc1cccc(OC[C@H](O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 518445425 JLMWCISAXAQPSQ-MRXNPFEDSA-N 403.460 0.701 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 519457056 DEQXDHYPQABNCW-HNNXBMFYSA-N 422.511 0.588 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)NC(C)(C)C 532452276 YVVFXPLBZQLXDF-GFCCVEGCSA-N 416.525 0.059 30 20 HCED COCCN(CC(=O)N(C)C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 540463043 CMJINYFFSKCMFV-INIZCTEOSA-N 407.540 0.494 30 20 HCED COC(=O)[C@H](O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540550529 UYBPNKKHMFYMMO-VQIMIIECSA-N 420.535 0.703 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCC(=O)N1CCOCC1 540684992 RARMRSQCKWBYMY-UHFFFAOYSA-N 423.429 0.968 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CCO1 543961335 RDQFYLDKNUHRMQ-AWEZNQCLSA-N 417.809 0.736 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 550419977 WRPAGLLECPOFQT-HNNXBMFYSA-N 410.434 0.382 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC(=O)N(Cc3ccccc3)C2)n1 555026381 GFKKIRLMELIAIA-UHFFFAOYSA-N 415.413 0.906 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 555288287 MWWWBWZUDZQGNG-SFHVURJKSA-N 423.481 0.838 30 20 HCED CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 556649241 KSAPSLDSNILOKR-UHFFFAOYSA-N 408.480 0.654 30 20 HCED CS(=O)(=O)Nc1cc(C(=O)NCCn2cnc(C#N)n2)cc(C(F)(F)F)c1 560754785 KOOGFVVHCUDBEN-UHFFFAOYSA-N 402.358 0.970 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCC(=O)Nc3ccccc3)CC2)c1 562166341 YMHXXWICCWTYEQ-UHFFFAOYSA-N 406.446 0.747 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)C2=O)cc1 564804890 VIOBJDLNJGPABD-SFHVURJKSA-N 420.473 0.905 30 20 HCED CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 565495073 ONBSKSDEESQTBB-UHFFFAOYSA-N 421.505 0.635 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC(CCCO)CC3)C2=O)cc1 565737044 KSQNUIIDJNXOOL-LJQANCHMSA-N 412.490 0.786 30 20 HCED CCNC(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 571485670 JZUKSIHCGBPRES-UHFFFAOYSA-N 416.459 0.990 30 20 HCED Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(C#N)n4)CC3)C2=O)n(C)n1 589458914 OMIYTWXNTPLYBU-GOSISDBHSA-N 407.478 0.949 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccsc2)c1=O 603793481 QFAIKLBAODAJDY-UHFFFAOYSA-N 414.556 0.824 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cn1 604065861 IIRCCZBMNCEVHE-KRWDZBQOSA-N 402.480 0.107 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3nc(C)cc(C(=O)OC)c3s2)C1=O 609455999 NRKBWFBJGKSCAZ-UHFFFAOYSA-N 417.403 0.702 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 610711998 HPPQDEKDPMAFBF-KRWDZBQOSA-N 412.487 0.490 30 20 HCED C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669817681 AIOZIFSHNKLVBA-UHFFFAOYSA-N 420.539 0.992 30 20 HCED N#Cc1ccccc1/C=C/C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 735821849 DGNRRBMOYLKAIB-DUMMIQTOSA-N 416.503 0.019 30 20 HCED CCC[C@@H](O)CC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 740980773 ZDOHVIJAUQYNBW-MRXNPFEDSA-N 423.491 0.485 30 20 HCED C[C@H](C(=O)OCC(=O)N(C)C1(C#N)CCCCC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745439326 AUTXEIYFTFCTGB-XPLWTBFPSA-N 417.462 0.765 30 20 HCED CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 746037515 GVJPMQBPJKXVKC-UHFFFAOYSA-N 409.450 0.620 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)CC1 747741664 JKGPZSNYNJXOTF-QFIPXVFZSA-N 408.458 0.368 30 20 HCED CN(Cc1cnn(C)c1)C(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1 747832777 XDUSAOKHRODRTN-UHFFFAOYSA-N 400.483 0.548 30 20 HCED C#CCNC(=O)[C@@H](C)ON=C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 749787311 JWPFLOBAHUAFQS-CQSZACIVSA-N 420.491 0.940 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 755626812 DKVLNRYBBXTQGS-UHFFFAOYSA-N 419.453 0.960 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](COC)C(N)=O 760046960 FHMCXYINSWERQT-NSHDSACASA-N 400.229 0.715 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 761029854 RTUJCMSOQYPRRX-UHFFFAOYSA-N 422.429 0.256 30 20 HCED CN1CC[C@](O)(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 762829402 YVMLDVVGZYAKLF-SAGAUJLNSA-N 409.512 0.688 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c1 763479073 CGEASKWVJAEZLE-XGCWNURASA-N 420.516 0.277 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](S(C)(=O)=O)C2)C1 764740825 NTEGWPUZCOOMQN-MELADBBJSA-N 400.501 0.964 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(COC)o2)c1=O 765143908 CESAVACSYYLENI-UHFFFAOYSA-N 403.460 0.077 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(C)oc2C)c1=O 767954925 HTEOEHXDKRKBSY-UHFFFAOYSA-N 417.487 0.128 30 20 HCED CC(C)N1CCC(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 771796392 XWCNRMCZNJTMET-MRCUWXFGSA-N 403.527 0.920 30 20 HCED C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@@H]1CCCO1 775563119 UYBYRVXJAMJBFL-ROUUACIJSA-N 406.508 0.925 30 20 HCED COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787770601 LTHPULVPHSNNCJ-SNVBAGLBSA-N 411.436 0.459 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 797055337 SXXYCWOLFYEKNL-HNNXBMFYSA-N 418.450 0.814 30 20 HCED CN(C)C1(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)Cc2ccccc2C1 807298127 VGKIUMUBVYHJJA-UHFFFAOYSA-N 406.490 0.697 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(c2nccc(OCC)n2)CC1)[C@H]1CCCO1 809307910 HYNPQBUTRCIFTK-JKSUJKDBSA-N 401.467 0.211 30 20 HCED COCCc1nc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 811136316 AVLVTVOOTGRWHQ-LLVKDONJSA-N 408.436 0.819 30 20 HCED C=C[C@H](O)C(=O)OCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 814548812 HBUCUNZWVKVQJP-INIZCTEOSA-N 409.464 0.667 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(O)C1=O 816756289 UVAZFSXAKYWTOV-UONOGXRCSA-N 408.480 0.780 30 20 HCED C[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1cccc(C#N)c1 844201812 UCQFPVWXTIIFID-LLVKDONJSA-N 401.404 0.398 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nnc2n1CCCCC2 875700538 LFVCJFBMHQGTPE-UHFFFAOYSA-N 402.480 0.402 30 20 HCED C=CCOc1ccc(/C=C/C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1OC 920251808 MZDNWSYJBVCKDF-SOFGYWHQSA-N 423.535 0.967 30 20 HCED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@H]32)CC1 960497869 FAALMKNYJJVKSS-FVCOPRDSSA-N 413.518 0.193 30 20 HCED C#Cc1cncc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)c1 990914936 UEDKIOXXFSWAEY-SXJNSPEGSA-N 418.457 0.260 30 20 HCED COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1162132650 ZAKWNDUYRRXZCG-HNNXBMFYSA-N 417.853 0.635 30 20 HCED N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1303003728 JRMHPHPSNBJXKD-OAHLLOKOSA-N 409.512 0.604 30 20 HCED CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1315199495 WKNKANCYEDOXLD-AXAPSJFSSA-N 400.480 0.755 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCOCC2)CC1 1316535112 XUWZFHOTCHXNML-AWEZNQCLSA-N 401.471 0.251 30 20 HCED N#CCN1CCC(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1319094927 MIKORHKALIUJRV-GOSISDBHSA-N 410.478 0.640 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1320275040 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30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1696915247 XXTJAMSCYJSSCB-CQSZACIVSA-N 423.481 0.724 30 20 HCED CN1CC[C@](O)(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)C1 1767514154 YMAHHRGDTAHFQF-VQIMIIECSA-N 422.555 0.377 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCC(=O)N2CCOCC2)c1 1771532019 MFZAOTVQVHWBNR-UHFFFAOYSA-N 409.450 0.002 30 20 HCED CSCC[C@@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066803 HIFSSPMYPMHUMK-UTKZUKDTSA-N 424.563 0.629 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)N3CCOCC3)C2)C1 1779092829 UEPFBYSUCDJUAS-DYESRHJHSA-N 409.527 0.459 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cnn3cccnc13)CCO2 1779137174 ZWYXPJZSSKVCDJ-IQTGRTGDSA-N 422.445 0.885 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)N(C)C(C)=O)C2 1779334989 FLFMLEOVRRYLBA-VXCZRNDOSA-N 423.554 0.940 30 20 HCED COC(=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780168288 LMWHTSBUDGFOQA-NRFANRHFSA-N 415.446 0.964 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1781270153 AKZFMRKVFNTOHH-IBGZPJMESA-N 404.423 0.135 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccnn2)C1 1781545308 DXUHAURIZFXRER-AXVVYFOYSA-N 403.483 0.391 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H]2CCC(=O)NC2)CCO3)cc1 1781784107 QWLPKBNGNRWDAH-AVRDEDQJSA-N 410.474 0.722 30 20 HCED COC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)C1 1782009520 NUJROFKBPJMVCG-DXEZIKHYSA-N 420.462 0.178 30 20 HCED N#CC1(C(=O)N2CC[C@]3(CN(C(=O)CN4C(=O)CSC4=S)CCO3)C2)CCC1 1785370549 DBFFYYHKSBHNNB-SFHVURJKSA-N 422.532 0.370 30 20 HCED C#CCCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cncc(S(C)(=O)=O)c1)CCO2 1785418365 OMDSMEDOGJHALU-LJQANCHMSA-N 405.476 0.342 30 20 HCED Cc1nn2cc(CC(=O)N3CC[C@H]4CO[C@@H](CNC(=O)CC#N)[C@H]4C3)nc2s1 1786363919 KPGPQPCSPLCNAY-QEJZJMRPSA-N 402.480 0.535 30 20 HCED Cc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857195 FENCMBAQJDCWBX-XIRDDKMYSA-N 403.483 0.858 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccccn4n3)[C@H]2C1 1787844762 QFQPQUZUTLUYBZ-JMVFIXPQSA-N 410.474 0.966 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4cccnc34)[C@H]2C1 1788289216 PEDXYPFUQBOZCV-LAQRGFTBSA-N 413.478 0.914 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4cn[nH]c4cn3)[C@H]2C1 1788466208 RDLODOHZIWCCEP-PWDMQXDWSA-N 411.462 0.590 30 20 HCED Cn1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4(O)CCCCC4)[C@H]3C2)n1 1788628530 ODYZYZIFAYCTDK-LNLFQRSKSA-N 414.506 0.712 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ccc(O)nn3)[C@H]2C1 1790562300 KHCWNZSRJYRJRX-FZCLSBEQSA-N 416.478 0.133 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@@H](O)CCN3Cc3ccccc3)C[C@@H]21 1790793600 RALSYRQBWNAIPC-HVAMYJMISA-N 411.502 0.235 30 20 HCED C=CC[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(=O)n4[nH]cnc4n3)C[C@@H]21 1790828394 PMEWYJMVFJJQQQ-HOSILWTGSA-N 414.466 0.223 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1790879705 VQHPKWZGJYVRFC-KKUMJFAQSA-N 410.421 0.434 30 20 HCED N#Cc1ccccc1OCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 1792145349 WKLXXPYBKIFIGK-BJLQDIEVSA-N 423.473 0.813 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnnc(Cl)c1)C2 1792484724 YVHKPYWZMUKZJD-BEXDMUFCSA-N 419.869 0.192 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(O)cc(O)cc1O)C2 1793353265 ZEJIROZNPCQHKR-VTEUUUEMSA-N 420.462 0.989 30 20 HCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H]2CNC(=O)O2)c1 1793416033 ZTSLPXKCRDCBJJ-ZMMAXQRCSA-N 412.446 0.189 30 20 HCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cncc(S(C)(=O)=O)c1)C2 1793562507 JCKDGFCSBMIIOC-LLLHUVSDSA-N 419.503 0.775 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2)c1cncs1 1794915370 ROYZEKGOSLCYPN-XNCPJDGVSA-N 408.480 0.875 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 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N#CCCC(=O)N1CC[C@@H](CNC(=O)c2cc3n(n2)CCNC3=O)[C@H]1c1cccnc1 1806081549 SCIUKDMZMBMKLX-HNAYVOBHSA-N 421.461 0.645 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)C[C@@H]3NC(=O)NC3=O)C2)CC1 1806847646 MIYMZYXYYUXSQE-DZGCQCFKSA-N 410.540 0.770 30 20 HCED Cc1cn(CC(=O)N2CCC3(CCCN(C(=O)CCC#N)C3)CC2)c(=O)nc1O 1809519165 BMUFUCCLLWFNHO-UHFFFAOYSA-N 401.467 0.792 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc3cccnn3n2)[C@H]1c1cccnc1 1812877784 PFFQHCVCBXIZRX-QRWLVFNGSA-N 418.413 0.532 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@H]2CCc3nc(NC(=O)CN4CCNC4=N)sc3C2)c1 1814924287 VABLSUJLFTWCHG-NSHDSACASA-N 412.479 0.409 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CN2CCN(C)CC2)n[nH]1 1818910544 AEMQPMGHGISSPY-AEFFLSMTSA-N 416.526 0.688 30 20 HCED C#CCCCC(=O)Nc1cc([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)[nH]n1 1822388910 FHIBGIJKQHBUOA-CQSZACIVSA-N 411.399 0.930 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H]2CCNC(=O)C2)n[nH]1 1822479109 XWVYUFWTUJJYEP-IIAWOOMASA-N 401.467 0.966 30 20 HCED C=CCC(F)(F)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1825250938 ZDDVEIKSVAHFQB-ZJUUUORDSA-N 415.466 0.859 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(Cl)nc4)CCO3)C2)CCC1 1829523620 GWJCOFKRVQEFQK-IBGZPJMESA-N 419.869 0.894 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)C3=CCCC3)C2)C1 1829765431 WXRPNFMCEPHMOC-GIWCCYDRSA-N 403.479 0.412 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc(F)c3)C2)C1 1831391178 JKGLIVGWXGPJHQ-JTSKRJEESA-N 418.465 0.863 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(CC)n3)C2)C1 1831426394 KXEKJZLDFNQZPS-FOIQADDNSA-N 407.467 0.898 30 20 HCED NC(=O)NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1832936827 CLWNOTIRWCACLW-HAFIMRKLSA-N 406.531 0.746 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnccc1N(C)C)CCO2 1833665667 CTZOCIOUPHLQQO-NRFANRHFSA-N 400.479 0.631 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)c1 1833720250 CSYPAICYWSFCQI-OAQYLSRUSA-N 409.446 0.974 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc3c(c1)OCO3)CCO2 1835179154 FCVKXFJBUOWPKX-NRFANRHFSA-N 415.446 0.718 30 20 HCED CC(C)c1nc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)no1 1835341385 ZRNLUQXKEUINIP-FQEVSTJZSA-N 417.466 0.496 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCOCC3)CCO2)C1 1835393424 XIMFUYFUWGEHPB-QFIPXVFZSA-N 423.554 0.767 30 20 HCED C[C@H](CN)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@@H]3CCCCO3)CC2)CC1 1835767691 MJMWVLPYMIMBAE-JMDUWDNVSA-N 423.558 0.682 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccn(C)n1)CCO2 1836058743 URBHWMIOLKYWEW-LJQANCHMSA-N 408.524 0.338 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1837395043 OKZLXLCLWJOLTK-UWJYYQICSA-N 405.495 0.668 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccc3F)C2)C1 1837399398 SHUZWUWEYULOIQ-HRAATJIYSA-N 421.469 0.864 30 20 HCED Cc1ocnc1C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1838200984 CSKSXEYUJMYWPO-HXUWFJFHSA-N 419.482 0.335 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3C)CCO2)C1 1838261613 GPCMSLNMTHANEJ-KKSFZXQISA-N 419.453 0.637 30 20 HCED CNCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1838905891 DWBGZTSSPJOGPI-OAQYLSRUSA-N 400.479 0.628 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838949764 SKDBBKJGGHKWEB-VFNWGFHPSA-N 414.462 0.140 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC(=O)N1C)CCO2)C(F)(F)F 1839215826 NPFDUZADRVNBCO-GUYCJALGSA-N 419.400 0.182 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839638238 HQALWLRNDZVJTH-GPMSIDNRSA-N 401.573 0.737 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839705412 FXSHGHAZFMFGAH-QAPCUYQASA-N 409.512 0.215 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839715720 SUZSHBYUCVGRSD-OXJNMPFZSA-N 421.498 0.449 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1839887792 HUDFGGMXXIZMFM-SFHVURJKSA-N 415.437 0.277 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1)C(F)(F)F 1839894695 LVYALZLNVLSGKT-MRXNPFEDSA-N 407.389 0.088 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCC(=O)N3CCCC3)C2)C1 1840159149 XHTJWQQTOZQVQC-BEFAXECRSA-N 413.540 0.164 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1 1840164308 FOVYKIVFRHNUCX-SCLBCKFNSA-N 417.528 0.286 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1840168923 YONXXZBJIYGYCJ-NRFANRHFSA-N 402.495 0.856 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)N2CCCC23CN(C(=O)CC#N)C3)C1 1843823313 QJDGDQDKGGKZFI-HUUCEWRRSA-N 406.483 0.721 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315058 CCFVPQQAENRCPC-CTJICSLTSA-N 420.466 0.745 30 20 HCED O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1 1844315887 LXCXZMZLEVZDBZ-FBCYGCLPSA-N 420.516 0.762 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2(N3CCN(C)CC3)CC2)C1 1845102943 IGNIANJUDAVATL-KRWDZBQOSA-N 405.543 0.771 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CCc1ncccc1-3)C2 1846196057 HEGFPUGCXYYMEB-UHFFFAOYSA-N 405.414 0.475 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 51890212 DOPIGKZXGUFRPL-MRXNPFEDSA-N 409.402 0.705 30 20 HCED CCOC(=O)[C@H](Cc1ccccc1Cl)NS(=O)(=O)N1CCO[C@H](C#N)C1 409511514 PUGJRWOZNSKRNS-HIFRSBDPSA-N 401.872 0.873 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CCO1 409585068 LVZXKEDJMRLJJF-MRXNPFEDSA-N 412.899 0.496 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 410143692 DMTWNZQQHYASJV-QGZVFWFLSA-N 419.551 0.920 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 425958932 PPVUIFHOPSMZGS-MRXNPFEDSA-N 410.478 1.245 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)n(Cc2ccco2)c1C 428802529 PEADIEHGDLOODI-HNNXBMFYSA-N 424.461 0.199 30 20 HCED COC[C@](C)(C#N)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 433960375 DNYBYKASVHLLTG-SFHVURJKSA-N 411.480 0.951 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1 437015211 UIHOSSPUGHURSS-MLGOLLRUSA-N 424.475 0.913 30 20 HCED CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1F 441857343 VZOBTNXCOHAWBT-AAEUAGOBSA-N 420.397 0.197 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCCC[C@@H]3C(N)=O)n2)cc1 442078165 JSCLODQMATWZIB-JKSUJKDBSA-N 409.450 0.687 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cc(Cl)cs2)c1=O 447274094 YTYGFKVARPQPDW-NSHDSACASA-N 409.920 0.960 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464911399 KOTHETSMBRZJEX-QZTJIDSGSA-N 414.558 0.842 30 20 HCED CCN1CCN(CCCCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 464950337 GISZAPCYZVVABL-GOSISDBHSA-N 414.558 0.986 30 20 HCED CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 467151087 KDOSCLYRJDQGJP-UHFFFAOYSA-N 400.407 0.196 30 20 HCED CCN1CCN(C(=O)Cc2ccc(NC(=O)NCCn3cnc(C#N)n3)cc2)CC1 477111602 UCHFBGXDULBMCW-UHFFFAOYSA-N 410.482 0.678 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C)CC1 480259037 TVCTZKBAKSTNKK-UHFFFAOYSA-N 412.515 0.123 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCNC2=O)CC1 480529563 UNWJOTFBAYXXLS-CYBMUJFWSA-N 405.480 0.241 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OC 481582042 YFDMCUDBWDUMLU-LBPRGKRZSA-N 410.445 0.220 30 20 HCED C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CN1CCN(C)CC1 482172583 DBVMMKFFYLVOLO-HOTGVXAUSA-N 407.540 0.225 30 20 HCED N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1F 488938625 GBZBHIKEDBASLG-UHFFFAOYSA-N 410.452 0.788 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1 499333231 MSXZPKAJNSXDHN-UHFFFAOYSA-N 409.508 0.795 30 20 HCED CCOC(=O)c1c(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C#N)cn1CCOC 500818050 VLIPDGIDYAMWPY-CYBMUJFWSA-N 412.468 0.834 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1Cl 503501929 DOCTVIHBRUFGPZ-NSHDSACASA-N 405.885 0.135 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 507151025 YNSAJPPUZIAYMW-UHFFFAOYSA-N 404.452 0.416 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1(S(C)(=O)=O)CC1 508005579 MBHLLBBQXWMIIF-LLVKDONJSA-N 419.438 0.903 30 20 HCED CCCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1 508350073 PDPQPGZXXCTQCA-UHFFFAOYSA-N 419.467 0.446 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 508851233 YGUHLGKUUAPZIA-JKSUJKDBSA-N 412.560 0.623 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 509371897 MVXLTPGTYJMUTR-HNNXBMFYSA-N 411.503 0.652 30 20 HCED Cc1nn(C)c(=O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 509926099 MDVYFMMTCXOKLO-UHFFFAOYSA-N 415.475 0.416 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3c2OCCO3)c1=O 511087399 WYEJDXGDWDCMNR-UHFFFAOYSA-N 411.483 0.873 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCOC2)c1=O 512725188 KWMWZEXJIXCNDJ-CQSZACIVSA-N 400.504 0.891 30 20 HCED N#CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 515961761 SYWBKLBBRZKXKP-UHFFFAOYSA-N 415.474 0.432 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H](O)[C@H]2CCOC2)ccc1OCC(F)(F)F 523064200 QJNKOZWZIBSWEW-GXFFZTMASA-N 401.341 0.951 30 20 HCED COc1cc(C#N)ccc1OCCN1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 524907409 DAQLVWYEVSXTFV-KRWDZBQOSA-N 402.495 0.811 30 20 HCED N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(N)=O 525263352 HGVPZCSWLSZGAB-UHFFFAOYSA-N 419.422 0.002 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(CCc2cccnc2)c1=O 532800335 ORGZTBOQBFHCEB-UHFFFAOYSA-N 408.487 0.013 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 539649806 WZXIGVYBBJQNIT-UHFFFAOYSA-N 406.240 0.992 30 20 HCED COCCNC(=O)CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 542106956 QCUNHIMVMLPJHG-UHFFFAOYSA-N 404.814 0.215 30 20 HCED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C)c2=O)cc1 543862666 HMUMQOQPLOFWBP-UHFFFAOYSA-N 400.456 0.727 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 546707977 QKMGHXLVWWDYPI-CYBMUJFWSA-N 405.418 0.904 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)Nc3sccc3C#N)C2)cc1 551139096 TVFXVOFNTOCORA-UHFFFAOYSA-N 420.472 0.756 30 20 HCED CCO[C@H](C)c1noc(CN2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)n1 558161244 MBDCEZSOJJYVDF-CYBMUJFWSA-N 403.447 0.158 30 20 HCED N#Cc1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)CC2)nc1 559271799 DMLDJNFDOKKSJT-UHFFFAOYSA-N 416.419 0.471 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 566647825 PECVTOHTEZEOCX-AWEZNQCLSA-N 410.486 0.755 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 567391387 CKVOYDOPTYMFTG-MRXNPFEDSA-N 405.524 0.355 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](CO)(Cc3ccc(F)cc3)C2)C1=O 568820128 FRZGHJAIRYXKRC-FQEVSTJZSA-N 403.410 0.556 30 20 HCED CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)c1 570973925 VGEYUQQQOOMHIX-ZDUSSCGKSA-N 400.460 0.960 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)C3CCOCC3)CC2)cc1 570999190 LNLVYQKSEAWALK-LJQANCHMSA-N 421.519 0.863 30 20 HCED CNS(=O)(=O)c1ccc(O)c(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 574567364 JZZVIAQZMBLONN-UHFFFAOYSA-N 424.460 0.089 30 20 HCED COC(=O)c1c(F)cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1F 581897046 LDDZANKQUFFPBX-UHFFFAOYSA-N 424.404 0.764 30 20 HCED C[C@H]1OCC[C@@]12CN(C(=O)C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)CCO2 587639999 HHZLYPXPJQQXDW-QVKFZJNVSA-N 413.478 0.445 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](CN4CCCC4)C3)CC2)nc1 587654455 OISWZSNVRWUWMW-SFHVURJKSA-N 410.522 0.983 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 606065151 ORDHZKANVJFHDL-UHFFFAOYSA-N 411.422 0.269 30 20 HCED C=CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 606140462 DXFLZVXEFHTWJF-UHFFFAOYSA-N 409.512 0.526 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 608911042 FXRUXWBZAJAOFY-UHFFFAOYSA-N 400.416 0.031 30 20 HCED COC(=O)c1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC)c1 615049190 DWFWVJPTOVXKCK-UHFFFAOYSA-N 414.422 0.688 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 619835415 PNVMXHUODFXFCM-UHFFFAOYSA-N 419.488 0.817 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C)c1=O 670325110 XCBJBWUQHPEMEM-UHFFFAOYSA-N 400.504 0.942 30 20 HCED Cn1ncc2cc(C(=O)NCC#CCNC(=O)c3cnc4c(cnn4C)c3)cnc21 681340265 DIYMFZOCDJBJNQ-UHFFFAOYSA-N 402.418 0.413 30 20 HCED COc1ccc(OC)c([C@H](O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732466526 OOBZHFQIIHGUNO-BQASMSSTSA-N 404.423 0.563 30 20 HCED Cc1oc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(C#N)c1C 745484810 YCDBDCZXWSZBGF-CZPYZCIJSA-N 401.375 0.412 30 20 HCED CC(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749728936 TXGKWGYITDIOSJ-ZESIPNTPSA-N 424.523 0.961 30 20 HCED C#CCN1CCN(C(=O)CONC(=N)c2ccccc2CN2CCC(O)CC2)CC1 749873900 HWVOTAXJSXDMTI-UHFFFAOYSA-N 413.522 0.267 30 20 HCED CO[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 752134459 SPTZIJJNRYZVBF-ZDHNHOGNSA-N 408.480 0.685 30 20 HCED C#C[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 753263049 DCKRIASBSKWRJP-ZDUSSCGKSA-N 406.464 0.445 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCCO3)c1=O 753787886 CRGIXLPREKXDNA-UHFFFAOYSA-N 405.439 0.913 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnc(S)n2C)cc1 755315790 FLCFFIAUWKDNRY-UHFFFAOYSA-N 424.508 0.165 30 20 HCED Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2=O)n1 761143060 RKGJCZHDVDEPRW-CQSZACIVSA-N 414.397 0.712 30 20 HCED CC(C)CNC(=O)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767628061 OXQGUWMJMMHFLS-GFCCVEGCSA-N 410.452 0.250 30 20 HCED COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCC#CCO)c1 774293187 QSXWJWKFOBJRQG-UHFFFAOYSA-N 405.270 0.099 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)N1CCOCC1 776500474 DIKKOMWSCWMQBA-UHFFFAOYSA-N 422.507 0.261 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 783010485 AWBTWJHFVZFJKS-UHFFFAOYSA-N 424.483 0.422 30 20 HCED COC1(C)CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 784860131 MJMBQNXZULNIEY-HMMYKYKNSA-N 408.480 0.685 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)OC(C)(C)C)c1 785129891 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0.585 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3c(C)n[nH]c3C)C2)C1 1831398726 KAQCQRFXYAMSCA-UTKZUKDTSA-N 418.494 0.064 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1831404639 REHMEHKHJXECJL-SIKLNZKXSA-N 423.554 0.910 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)COC)CCO2 1831630849 VQPIRALBXCPNLT-JXFKEZNVSA-N 412.483 0.235 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1COc3ccccc3O1)CCO2 1832498609 KDYHSDDMNANRKO-NQIIRXRSSA-N 402.447 0.859 30 20 HCED C[C@H](Nc1cccnc1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835354730 YVYMRKFNIMGICF-JXFKEZNVSA-N 401.467 0.642 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1836868481 WWALWVFUPFASDI-CQSZACIVSA-N 406.483 0.452 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)CCc3cn[nH]c3)CC2)CC1 1837160795 YJZJLOQDGRBMKU-UHFFFAOYSA-N 402.451 0.429 30 20 HCED COc1cc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n(C)n1 1837278159 MSTZOUZDXJYYPR-UHFFFAOYSA-N 418.450 0.129 30 20 HCED Cn1cccc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561315 GZJQYIZLWVUUGG-XZEIMLRBSA-N 414.462 0.807 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837747894 YLRDBIFQILWUPI-YZVOILCLSA-N 408.524 0.657 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(=N)N)CC2)CC1 1837845089 ZHGXADMWRQYTLY-AWEZNQCLSA-N 410.519 0.269 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccnn4)C3)C2)c1 1838907355 NFYPCEQGAZDWMR-NRFANRHFSA-N 407.430 0.732 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)COc3ccc(O)nn3)CCO2)C1 1839670648 UHMUHSUDOQOSJB-FOIQADDNSA-N 420.466 0.230 30 20 HCED CCC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)NCCC#N)C3)C2)COC1 1839776427 IQIRZHDGCFHBOO-NRFANRHFSA-N 422.526 0.151 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4ccc(Cl)cc4nn3)C2)C1 1839807616 HZEXMDILNFZHAM-FQEVSTJZSA-N 414.849 0.986 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839889156 GBUPVARLAHTKNU-MRXNPFEDSA-N 401.366 0.662 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1)C(F)(F)F 1839894382 AFLORNXLHCUFDC-KRWDZBQOSA-N 415.368 0.976 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1840166943 MOYLDGVILJNCLC-WIYYLYMNSA-N 402.495 0.779 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC4(CCCN4C(=O)CCn4cncn4)C3)c2c1 1846547151 ZPUSKOOEUFMYES-UHFFFAOYSA-N 404.434 0.933 30 20 HCED O=C1CN(c2cccc(C(=O)N3CC[C@H]4[C@@H]3CCN4C(=O)C#CC3CC3)n2)CCCN1 1847745337 HBQUCCYKJZDYCE-OALUTQOASA-N 421.501 0.637 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCO1 409513745 OBZICLLTOHIRRY-SMDDNHRTSA-N 402.835 0.643 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 409563872 TYIGEWVBKVKBRR-UHFFFAOYSA-N 418.541 0.570 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)Cc1cn2c(n1)CCCC2 429877350 NZMPUNVNBHRIJL-UHFFFAOYSA-N 418.461 1.577 30 20 HCED CCn1c(CN2CCO[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 436121173 HFEDBIASONBYMF-OAHLLOKOSA-N 419.507 0.801 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCO[C@H](C#N)C1 436124486 IRJFKQQPBBZRGM-GOEBONIOSA-N 408.480 0.259 30 20 HCED COc1ccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 439339600 IYDRABLGIDQQKH-CYBMUJFWSA-N 424.479 0.415 30 20 HCED C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442171975 NZCXMCHQHLUMOC-ZDUSSCGKSA-N 411.466 0.898 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(N2CCCC2)CC1 460611306 UMWZNPNPYCVYTC-UHFFFAOYSA-N 407.478 1.473 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 461776386 OOKGXJOAGRSJQC-CQSZACIVSA-N 409.464 0.558 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)c1 463704762 FGOSOPOWZORVKW-UHFFFAOYSA-N 409.421 0.884 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 465276972 UVLKQDDPYNBJKH-YEJXKQKISA-N 419.445 0.754 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 468404998 HJZGIWLMIWOTMU-HZPDHXFCSA-N 404.492 0.683 30 20 HCED COc1ccc(OC)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472844856 BQIGRMLHZYVWBT-UHFFFAOYSA-N 412.450 0.905 30 20 HCED COC[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 474141718 KXYFKQJAJAMWJE-LJQANCHMSA-N 423.491 0.919 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(OC)cc2)c1=O 480290852 OBOJUJKCITUPCJ-MRXNPFEDSA-N 413.499 0.737 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C1CC1)[C@@H](C)CS(C)(=O)=O 482197349 GNULMCLHAWJYKZ-STQMWFEESA-N 413.521 0.649 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)C1=O 482231244 YXQAIWXVLCNLJP-HNNXBMFYSA-N 412.446 0.632 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2cccc(C#N)c2)c1 489888533 TWZFUJQRXVNYFB-UHFFFAOYSA-N 400.460 0.855 30 20 HCED Cc1onc(CC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)c1C#N 500014663 DKEUQKRBXOCCIK-OAHLLOKOSA-N 410.496 0.135 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 500599301 HFAJNOFVRVLLRA-MRXNPFEDSA-N 406.490 0.952 30 20 HCED CC1(C)CNC(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 501603464 GKLQASHEYWZYAL-UHFFFAOYSA-N 404.492 0.696 30 20 HCED CNS(=O)(=O)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 503292870 RFPJDUKFIDTNSH-CQSZACIVSA-N 415.313 0.707 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](Cc3ccccc3)C(N)=O)C2=O)cc1 504756428 NMILMHLAZGMLEZ-ROUUACIJSA-N 419.441 0.976 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(CC(=O)Nc2ccccc2F)cc1 508958170 CRACBZGZIMUIRL-UHFFFAOYSA-N 411.393 0.701 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 509013638 HFAAJJXQIYQSSQ-UHFFFAOYSA-N 414.466 0.196 30 20 HCED Cn1c(=O)c2ccn(CC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)c2n(C)c1=O 511709790 YHMGCWGQOXKECI-UHFFFAOYSA-N 421.392 0.874 30 20 HCED C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513977743 YKADDGKBKDHCDX-QGDIXAPHSA-N 402.476 0.024 30 20 HCED COc1ccsc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(CC(N)=O)c1=O 531683771 KDSXOLPDWSJCCZ-UHFFFAOYSA-N 419.528 0.974 30 20 HCED CN(CC(=O)N(CCO)CCOCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1 533848866 HZXJEDJCWFDKMT-UHFFFAOYSA-N 423.413 0.579 30 20 HCED C=CCCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 535286268 HHTALQBZSDPQBY-UHFFFAOYSA-N 411.480 0.355 30 20 HCED COCCCN(C(=O)[C@H](C)n1cnc(C#N)n1)c1c(O)nc(=O)n(CC(C)C)c1N 540603571 OMJQFXFGWGHALR-LBPRGKRZSA-N 418.458 0.281 30 20 HCED CCOC(=O)c1cnn(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1C#N 546797730 AEIHKTTZOPUBKV-ZIAGYGMSSA-N 424.479 0.126 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ncnn3-c3ccccc3)CC2)c1 554911066 LRKXMJZRTGHPCZ-UHFFFAOYSA-N 416.445 0.499 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(F)c(F)cc2F)c1=O 576645796 OOFMXHSRGKSRPD-UHFFFAOYSA-N 411.405 0.613 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2CCCOC)c1=O 580661858 JGAYOAMFARHLSE-UHFFFAOYSA-N 415.519 0.288 30 20 HCED COC[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 582149448 MABGDGYWXMPOAW-AWEZNQCLSA-N 401.510 0.477 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)n1 589400175 LWYVSBSLPWBGTN-INIZCTEOSA-N 415.413 0.999 30 20 HCED CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)CC2 589407305 QYJHZYVSAJPIAG-SJORKVTESA-N 424.461 0.856 30 20 HCED CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 609282757 MIYDHBFPTMETPT-HNNXBMFYSA-N 408.480 0.594 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)n(CCC#N)n1 610951663 YEYLVLVAFGFHMB-UHFFFAOYSA-N 408.462 0.957 30 20 HCED COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 615630734 DHAHFWXXQBJHAE-SJKOYZFVSA-N 412.443 0.402 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2OC(F)F)C1=O 726042808 GUSACXHEYFPZBP-UHFFFAOYSA-N 411.317 0.747 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 728533034 SLBQAHSTLIMNQJ-UHFFFAOYSA-N 412.534 0.998 30 20 HCED N#CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 732365612 UYRJBLBVGHBPCM-UHFFFAOYSA-N 403.416 0.961 30 20 HCED N#C[C@H](C(=O)COc1ccc(N2CCCC2=O)cc1)C(=O)N1CCS(=O)(=O)CC1 732908057 HFSNNHSIDGYRIK-MRXNPFEDSA-N 419.459 0.158 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(-c2nn[nH]n2)cc1 745466228 XCNFJWABZPTSPV-UHFFFAOYSA-N 411.447 0.612 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)ccc1SC 746484613 ZJOUZXZDUWAKMP-UHFFFAOYSA-N 414.512 0.755 30 20 HCED C#CCNC(=O)COn1nnc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc21 747827919 PAKQAIAHIIAABR-OKILXGFUSA-N 405.480 0.276 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 753889739 KDUVOYQCTCNZED-INIZCTEOSA-N 400.479 0.826 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 755537808 NMNCRHAWPURGAX-PWSUYJOCSA-N 412.397 0.962 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 756752348 GSLLOTYRHPCFDS-GXFFZTMASA-N 423.476 0.369 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCN(S(C)(=O)=O)CC2)C1 758775671 KWJWCTIXYBOKSH-KBPBESRZSA-N 415.516 0.422 30 20 HCED C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 759194768 CXMJBXIERRDNDX-UHFFFAOYSA-N 423.447 0.774 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCCS(=O)(=O)c2ccc(F)cc2)CC1 761035611 BIQGHTXEXCHQQF-UHFFFAOYSA-N 403.501 0.075 30 20 HCED COCCn1c(N)c(C(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)c(O)nc1=O 761759837 SBPNYEPLXDTQHI-INIZCTEOSA-N 413.434 0.305 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O 767626535 ICHXKKYIGXQNKK-MLGOLLRUSA-N 417.447 0.307 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)cc1 769427963 MYLADBRUAQNOJJ-UHFFFAOYSA-N 413.503 0.967 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OC)oc1Br 782986277 BJXVXYUVECSHIY-UHFFFAOYSA-N 416.271 0.708 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)[C@H]1CCS(=O)(=O)C1 783481210 OUZKJTRYZORSEE-AWEZNQCLSA-N 421.450 0.540 30 20 HCED N#CC1(NC(=O)CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)CCC1 783969218 XIXBJWINALHBSU-GOSISDBHSA-N 420.422 0.313 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1 784615008 OGBDAXXOBMHHFV-UHFFFAOYSA-N 411.418 0.331 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)CCNS(=O)(=O)c2ccccc2)n1 788813711 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Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1 1835096681 GCIJDVLUZJHKBN-JOCHJYFZSA-N 408.458 0.542 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2)C1 1837213215 HQAFUOXYUBROOB-MMOPVJDHSA-N 424.494 0.069 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC[S@@](=O)CC)CCO2 1837247204 VBLYUFZWWYYPSJ-MMTVBGGISA-N 412.552 0.795 30 20 HCED C/C(=C\c1ccc(C)o1)C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1837582757 SJKJBBUBUDMXBI-GLHYLFFDSA-N 416.430 0.536 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648788 UTFNYTLXGADEMH-PXNSSMCTSA-N 403.483 0.174 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2)C(F)(F)F 1837972346 ZHBLWOBUCCKLGG-QGZVFWFLSA-N 418.368 0.960 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)c1ccc(F)cc1)CCO2 1839038628 RZKZFQWTDALHMR-FPOVZHCZSA-N 417.437 0.093 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cncn3)C2)C1 1839228864 QZLKCNNNLGFRCP-GPMSIDNRSA-N 422.486 0.096 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)c(C(=O)O)c(C)c1)CCO2 1839481278 ZXBYCLBOWTWBMK-NRFANRHFSA-N 400.431 0.705 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839770099 CZIYLUKOZCVHEI-XGHQBKJUSA-N 408.470 0.499 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839840778 LZGFNJRQBFEYSH-UTKZUKDTSA-N 406.527 0.937 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnncc3C(=O)O)C2)C1 1839843284 WKBGPTKOLQRBIY-VLIAUNLRSA-N 418.450 0.457 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1839845593 UVFCCGABGCYZLW-IERDGZPVSA-N 403.479 0.876 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cccc(F)c1F)CCO2 1839983267 ZMTADCQYLIDCPH-HXUWFJFHSA-N 422.384 0.052 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840161605 UYTHMOPQVIVLLG-LIRRHRJNSA-N 404.492 0.723 30 20 HCED COc1nc(C)ccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840161839 CBMJJQNDHFERLD-LIRRHRJNSA-N 409.508 0.787 30 20 HCED Cc1nccn1[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840815967 MBMNECZHBFTDQT-IIBYNOLFSA-N 415.494 0.903 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC(=O)c1ccccc1)C2 1841056412 CYNXSNHUSOQUSC-QXPKXGMISA-N 424.501 0.867 30 20 HCED CCS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1841586260 IQKQHTQISQVCPX-UHFFFAOYSA-N 419.503 0.747 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847819784 RBBKCUDJBNGQMO-ZIZFQXISSA-N 415.512 0.398 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C1=NNC(=O)C1 1847939726 HYDQCUNQCJNHSV-QEJZJMRPSA-N 419.482 0.534 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 429009393 OSDYHGYPDIBGBH-APWZRJJASA-N 422.526 0.901 30 20 HCED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 435054674 FAJYWIVBRYZVON-VQIMIIECSA-N 400.479 0.637 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 439324540 OKAWCDNFTBHGKD-UONOGXRCSA-N 406.487 0.366 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)C1=O 440256886 DPCWMUWJSKMHHA-INIZCTEOSA-N 412.446 0.519 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 441024270 UMOVISHWBNMKNI-MRXNPFEDSA-N 409.446 0.639 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441748589 IGYVXTCMVJVYTB-UHFFFAOYSA-N 411.384 0.842 30 20 HCED CNC(=O)Cn1cc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cn1 448487278 FVENYOKOGVWLPT-UHFFFAOYSA-N 423.477 0.174 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 461195031 MDOLLANFWOPYCX-MRXNPFEDSA-N 406.508 0.673 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 471689382 QYVSSCPMLMUGCZ-UHFFFAOYSA-N 408.528 0.311 30 20 HCED CCN(C)C(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 473921067 FLWOMVQRBNSMOQ-CQSZACIVSA-N 407.496 0.441 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(COc3cccc(C(=O)OC)c3)no2)C1=O 476908444 LFNHKVYZUWOHCD-UHFFFAOYSA-N 400.347 0.912 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCOC[C@@H]2C#N)cc1 479801304 AATAPKAFKMWRRB-HNNXBMFYSA-N 408.480 0.198 30 20 HCED CS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 490232383 VMJGGFCPZQIHKB-IRXDYDNUSA-N 404.492 0.735 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)COCC(=O)NCc3cccnc3)C2=O)cc1 490262959 UBJTWTDNAUBQHJ-LJQANCHMSA-N 421.457 0.503 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 490482974 IHUPCXXIDLEJDV-UHFFFAOYSA-N 402.499 0.647 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)C2=O)cc1 502264721 HHJLHUSVPWMVCH-BZSNNMDCSA-N 423.473 0.439 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c1 505159001 NFBFIBISYPOXOV-RBUKOAKNSA-N 408.462 0.997 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(=O)n(C)c1 505165005 ITPFPFAMICAAGU-MRXNPFEDSA-N 407.430 0.816 30 20 HCED CC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1nccs1 505182920 HIUJWIYUMMJVMA-CQSZACIVSA-N 401.496 0.973 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506336463 DZJDISRTFKITID-IIBYNOLFSA-N 422.526 0.640 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)[C@@H]1CCS(=O)(=O)C1 508710131 SFFIUXWMIXAEPO-GFCCVEGCSA-N 412.493 0.043 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1 511682054 KCIPBBMCBPMQAM-UHFFFAOYSA-N 412.496 0.621 30 20 HCED COC(=O)CSCCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513022554 ASZMMFSUIWGOPK-UHFFFAOYSA-N 405.411 0.844 30 20 HCED COC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 514090193 SCGHERVYTFBEAZ-IBGZPJMESA-N 407.474 0.976 30 20 HCED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 518982683 PDSZDVQQDHJODL-UHFFFAOYSA-N 415.493 0.398 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)C1=O 521463590 GYDBGZDYASDWKO-UHFFFAOYSA-N 408.405 0.832 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 523553393 AUNPQPRZNSJEFJ-QGZVFWFLSA-N 402.480 0.330 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccc(OC)nc1 524275736 VKYYIUKPCMKPNL-UHFFFAOYSA-N 406.467 0.860 30 20 HCED N#C[C@@H]1CN(CC(=O)Nc2cc(N3CCO[C@@H](C#N)C3)ccc2[N+](=O)[O-])CCO1 532548107 HGWXREDPGGTUTQ-CABCVRRESA-N 400.395 0.486 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1C#N 535503530 IXICNZRRPCKDQF-LBPRGKRZSA-N 415.479 0.611 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1=O 544665126 BUIAQLDZGCWURV-MRXNPFEDSA-N 405.476 0.721 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 548587067 WWWDGZFDHZQNKV-ZDUSSCGKSA-N 407.448 0.653 30 20 HCED C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(C#N)cc1 550591484 CJJKUZWMIBKCTC-IYXGVVJKSA-N 406.442 0.659 30 20 HCED COCC[C@@H](NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccco1 557987430 HCCIOHWYZCWAMI-MRXNPFEDSA-N 414.466 0.736 30 20 HCED COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)Nc1ccn(CCC#N)n1 559846602 YKERKWDRNLGDBX-UHFFFAOYSA-N 401.379 1.178 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3nccn3C(F)F)C2=O)cc1 560838989 IPSSGIXALFBIRC-CQSZACIVSA-N 416.388 0.683 30 20 HCED COC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 571928829 DRDFANLQGKEUBB-AWEZNQCLSA-N 415.475 0.963 30 20 HCED C[C@H]1COCCN1CCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 572516986 VKKUYHINZKHJKF-MAUKXSAKSA-N 413.478 0.007 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cc(F)ccc2SC)CC1 574668061 UJNNQJPFXMELIA-UHFFFAOYSA-N 408.499 0.610 30 20 HCED CC(C)N1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 575843429 OWHOTSRMLOGPFB-SFHVURJKSA-N 419.551 0.463 30 20 HCED CC(C)N1CCN([C@@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 576628878 JZSPPHRPLNBMRB-GOSISDBHSA-N 419.551 0.463 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](N3CCCC3=O)C2)n1 578735561 QDNILAABPZQBMR-AWEZNQCLSA-N 407.434 0.691 30 20 HCED Cc1csc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 579043320 DNAMRVCXSGFVEP-UHFFFAOYSA-N 405.505 0.950 30 20 HCED C=CCN1CC[C@H](Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1=O 584771920 KGGNTXZQQMQEAC-INIZCTEOSA-N 411.436 0.781 30 20 HCED CC(C)(C)OC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 589441026 KNENZNFTKYBGFZ-OAHLLOKOSA-N 409.464 0.406 30 20 HCED N#CC1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 590483325 AJMIKBPIAHOXPP-UHFFFAOYSA-N 408.455 0.421 30 20 HCED CCN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C(=O)C1=O 604071839 KPWFNOFPVLFJGC-QGZVFWFLSA-N 401.442 0.225 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@](F)(C#N)C2)cc1 615628744 XNIZGCJLUMXTTR-BLVKFPJESA-N 404.398 0.771 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 680942342 YQPXBGRRYUIZCC-SFHVURJKSA-N 406.508 0.860 30 20 HCED CS(=O)(=O)N[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)C1 725796168 QWMXMDWYTTVPQP-GXTWGEPZSA-N 403.464 0.525 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1 727750687 AHLQTFWGVWGXLC-SFHVURJKSA-N 419.503 0.452 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2ccccc2OCC)CC1 728531922 LXRHSTPIBBKENF-IBGZPJMESA-N 414.506 0.546 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 728589921 NFMCZFZXFGHNJY-UHFFFAOYSA-N 404.492 0.017 30 20 HCED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1C1CC1 732702452 SUHYAUICZWKSTF-OAHLLOKOSA-N 422.467 0.255 30 20 HCED CC(C)NC(=O)Nc1cccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1 732910994 WVBSNIPIUYTQAK-OAHLLOKOSA-N 406.464 0.796 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741431974 VWLLMZDYQZDYQS-OAHLLOKOSA-N 424.475 0.873 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 742067538 LERZOTKUJALYDH-LJQANCHMSA-N 411.506 0.218 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 745742082 FAJGBNJYBRNMDI-SJCJKPOMSA-N 411.418 0.501 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)CC1 747735383 RFVFCPSHDSAMOU-UHFFFAOYSA-N 402.476 0.055 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 749740464 AUMRJNJLQFEZRN-MUIYUZFZSA-N 420.491 0.491 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)[C@H]1CCCO1 753207244 XOKNXQRCQVKVCG-IAGOWNOFSA-N 400.545 0.861 30 20 HCED CS(=O)(=O)CC1(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCC1 753328182 QAIUUULJEIPKBA-UHFFFAOYSA-N 400.478 0.483 30 20 HCED C=CCc1cc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(O)c(OC)c1 754724162 ZKUWDESXCPFWAV-UHFFFAOYSA-N 401.463 0.923 30 20 HCED C[C@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2=O 756987724 QUDBHJSWQFKETM-SQFPVSPOSA-N 417.466 0.376 30 20 HCED Oc1cc(C=NNC(=S)NCCN2CCOCC2)cc(Br)c1O 757560836 OQGUJKZANZCGIF-UHFFFAOYSA-N 403.302 0.991 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O 757836360 FSRYQASHEMCAEF-UPJWGTAASA-N 408.455 0.677 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757896505 GNZCCQGNBDPDAT-UONOGXRCSA-N 416.500 0.704 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 761033706 ZEXPYBLVQSKPNW-INIZCTEOSA-N 422.576 0.989 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767680004 PRRLMBDRHPPSMS-FZKQIMNGSA-N 406.464 0.823 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cncs2)c1=O 767873744 VOEMZBJKCIPXJK-UHFFFAOYSA-N 417.560 0.443 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCSC)c2=O)cn1 772313013 ZKDNKWKEBAJCHX-UHFFFAOYSA-N 403.533 0.597 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCNC(=O)[C@@H]1c1ccccc1C)c1cc[nH]n1 772546761 JDDYHMAKMAPTJB-SFHVURJKSA-N 413.434 0.702 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCCO1 776223626 BWPAIBIROIZERE-ZBFHGGJFSA-N 422.463 0.792 30 20 HCED C[C@H]1CN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CCN1S(C)(=O)=O 776609703 FZLPQQQYWNWACF-GXTWGEPZSA-N 403.464 0.477 30 20 HCED CC(=NNC1CCS(=O)(=O)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 776795262 RVNQZSNGQGHVOG-UHFFFAOYSA-N 415.537 0.598 30 20 HCED C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 780232193 KLHLTROFSMLMPK-NINDBSIVSA-N 422.507 0.667 30 20 HCED 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420.554 0.012 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1836488395 SRRAFZLGWVHIGX-BEFAXECRSA-N 407.471 0.210 30 20 HCED Cc1nc2ccncc2cc1C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1836836944 BBKXLSCNEVGIHJ-NRFANRHFSA-N 409.446 0.922 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1837491252 XEJQKXUQBVTHEP-JOCHJYFZSA-N 415.490 0.783 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCOC3=O)C2)C1 1837660427 XCZQGPPUONGQQA-OAQYLSRUSA-N 423.510 0.887 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)nn1 1838346337 OVKUZNGKDKQDHQ-QFBILLFUSA-N 424.523 0.510 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc3snnc3c1)CCO2 1838506485 LNLHQSVMGXPZCR-QGZVFWFLSA-N 402.436 0.070 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)n1cccn1 1838742035 MSHCPXFBDRDSLA-QRWLVFNGSA-N 412.450 0.414 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)C[C@H]1C)CCO2 1839085657 KFTTZUNSAGACKV-DEKBVVILSA-N 405.495 0.347 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839174666 QSRRMWOAJJPNIS-FQEVSTJZSA-N 405.451 0.256 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839223643 BUDLRVJQLVMWNZ-DNVCBOLYSA-N 405.455 0.348 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccnn4C)C3)C2)c1 1839451590 FCNJJYGVPFQZRU-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4cccnn4c3)C2)C1 1840163918 SBDOWEJJYBLBEV-KUHUBIRLSA-N 404.492 0.723 30 20 HCED CN1CCC(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1840811181 AJAQFVAWKRVABR-QFIPXVFZSA-N 418.538 0.869 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(O)cn4)C3)C2)CCC1 1840812858 PDRBJNBKSIVQIY-HXUWFJFHSA-N 400.435 0.551 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n4ccnc4n3)C2)C1 1840843789 LUIKRJWJBPTOBQ-NRFANRHFSA-N 411.462 0.521 30 20 HCED N#CCc1ccc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)cc1 1843009312 IMKYMGUNRDQVKD-UHFFFAOYSA-N 417.429 0.614 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2nc[nH]c2[N+](=O)[O-])C1 1843389495 BCJXLGLWSCOBSA-NXSNIQIJSA-N 406.399 0.664 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cc3n(n1)CCCNC3=O)C2 1844237116 BGMAIPWKXMQPIQ-INIZCTEOSA-N 415.494 0.407 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846559916 FPPYFYQTUSDWOS-WMLDXEAASA-N 403.483 0.251 30 20 HCED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 56868259 SVDPNVYCWFDHGP-MRXNPFEDSA-N 413.521 0.403 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCO1 409498441 FJQRNFONNAMBPN-GXTWGEPZSA-N 418.397 0.869 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 431672838 IZUMRMYADSJIRF-UHFFFAOYSA-N 418.479 0.465 30 20 HCED CN(C(=O)C(=O)Nc1ccn(CCC#N)n1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 442327977 STLPEWMKTBZJLI-ZDUSSCGKSA-N 421.866 1.376 30 20 HCED C=CCN(C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C1CC1 442409412 MLPXHEYWDHUATE-UHFFFAOYSA-N 423.491 0.832 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc1 443846274 VDPTVNMQOPIRNX-UONOGXRCSA-N 413.496 0.022 30 20 HCED CNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465417895 RFBBCYJGZFQQGZ-CYBMUJFWSA-N 407.434 0.384 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C)c(NC(=O)CCN(C)C)c2)C1=O 466268323 XSYXEDRAHHWVCN-UHFFFAOYSA-N 415.450 0.801 30 20 HCED C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 467312584 GQVBSYFRKCLLAG-NSHDSACASA-N 421.866 0.981 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 470329950 FRCANXUDKQUYMY-GOEBONIOSA-N 416.507 0.744 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCCN3C(=O)[C@H]3CCCO3)CC2)c1C#N 472247852 IKNRMDCBKIGFBL-QZTJIDSGSA-N 414.510 0.809 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 486811065 TYCXDAOTZAABAS-BUXKBTBVSA-N 413.459 0.087 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 488816593 DKDCWPLTUUMHIV-HNNXBMFYSA-N 404.496 0.691 30 20 HCED CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489229709 ZPPCYESHJVTFGD-CVEARBPZSA-N 406.508 0.739 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 491236509 NVPDQUIYAXBGCW-UHFFFAOYSA-N 410.377 0.393 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1 500684112 GHJUDPHCFLEWQG-HNNXBMFYSA-N 401.485 0.332 30 20 HCED CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(OCCOC)cc2)c1=O 501246142 VPXJGPMVKKZELA-UHFFFAOYSA-N 415.515 0.983 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1cccs1 502045165 DYASQAHAHIUSMZ-UHFFFAOYSA-N 413.528 0.781 30 20 HCED CN(C)C(=O)[C@@H]1CSCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505429872 VDYZTTDSLNUKCK-GJZGRUSLSA-N 415.475 0.753 30 20 HCED COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)NCCn3cnc(C#N)n3)C2=O)c1 510627741 FMZARHZPUUUGKZ-MRXNPFEDSA-N 413.438 0.614 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 512154656 OJRGHOYSDVGSJW-HNNXBMFYSA-N 403.464 0.985 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2nccn2CC(F)(F)F)CC1 515391790 BUQZDRSIZHFCKO-UHFFFAOYSA-N 421.383 0.677 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C 515922546 FXCKTRLWKGLRCW-UHFFFAOYSA-N 419.528 0.126 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 519842802 BVJJXCQYIPUZOI-UHFFFAOYSA-N 416.459 0.970 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)COc1ccccc1 531713047 ZWLLFPXUAZPURG-GOEBONIOSA-N 403.460 0.781 30 20 HCED C[C@H]1CN(C[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 532642488 NNFHPLNRLDWCDY-SCTDSRPQSA-N 422.551 0.335 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC)C(=O)O 541000241 VDCPIUDEAIESQG-ZDUSSCGKSA-N 418.493 0.992 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OC 549238087 GFIVJIDYSNENTE-LBPRGKRZSA-N 407.466 0.121 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cnc(N(C)C)n1C 558060691 KCWHNHAOTUIQOH-UHFFFAOYSA-N 411.510 0.564 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(COC)cc(C(=O)OC)c2)C1=O 559864129 SARIWPZGVSJAFX-INIZCTEOSA-N 403.435 0.803 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)nc1 577478189 HAXKGAJPZILHHA-DPMWRWFOSA-N 410.430 0.485 30 20 HCED C=C(C)Cn1c(-c2ccccn2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 577512219 CPLPWHAJSATUQR-UHFFFAOYSA-N 423.481 0.383 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1 578370519 IKZZKTPTBNNFQQ-MRXNPFEDSA-N 400.526 0.639 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1F 584381254 OFSWAHBNIJTYHY-LBPRGKRZSA-N 408.455 0.956 30 20 HCED CC1(C)COCCN1CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587653340 GYDOGMHVJUKRFH-UHFFFAOYSA-N 414.510 0.265 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](CN4CCCC4)C3)CC2)nc1 587654454 OISWZSNVRWUWMW-GOSISDBHSA-N 410.522 0.983 30 20 HCED COC1CCN(C2(CNC(=O)C(=O)NC3CCN(CC#N)CC3)CCCC2)CC1 588124533 BSANJOAJFDGUBS-UHFFFAOYSA-N 405.543 0.630 30 20 HCED Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1ccc(C#N)cn1 588960502 UMMBITYDXOQRNR-LJQANCHMSA-N 424.486 0.856 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CC3)c2=O)oc1C 591000179 NQGAVRUSEVMVNN-UHFFFAOYSA-N 415.471 0.960 30 20 HCED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1(C#N)CCN(C)CC1 603885935 CQNYCNHLWJWFEL-AWEZNQCLSA-N 422.507 0.619 30 20 HCED CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)NCc2cccc(C#N)c2)CC1 608832921 DSJIWRKJAXWFKF-UHFFFAOYSA-N 400.479 0.908 30 20 HCED COCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610391648 CESGQCODDZFJTA-UHFFFAOYSA-N 419.507 0.253 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610804994 LVHBUNMDGVIOLA-YJBOKZPZSA-N 403.508 0.917 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCN(CC#N)CC2)c(C)c1 611644590 PUNGYWXORXFIQH-ROUUACIJSA-N 420.535 0.404 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 670232350 FRCPGTRGKIXHPT-JKSUJKDBSA-N 412.560 0.765 30 20 HCED C=CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 726403051 IRUDVNSAFZAOKG-MEUCICPISA-N 422.532 0.989 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)CCc2ccccn2)cc1 727404966 HOOXYMNOHPOARB-UHFFFAOYSA-N 414.487 0.424 30 20 HCED C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741343133 ZSVAGDMTKMSPGG-HWSXFHHQSA-N 406.439 0.851 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](CN2CCOCC2)C1 742107394 JENKAJJTVZVGBV-HNNXBMFYSA-N 406.508 0.296 30 20 HCED CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 742509326 NFRZVURXDULNOT-QWHCGFSZSA-N 413.521 0.539 30 20 HCED C[C@@H](CC(=O)NCc1nnc2n1CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 742547772 ANAISEAJZPKQER-LBPRGKRZSA-N 402.480 0.748 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccncc3C2=O)cc1 744223273 QAQHLIOLQSKPQJ-UHFFFAOYSA-N 413.411 0.446 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)c1 746264278 ARXHLLMBFRUYNK-ZDUSSCGKSA-N 420.447 0.654 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2sccc2Br)CC1 747279271 USOHSDCGMCBSRU-UHFFFAOYSA-N 420.354 0.956 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2nccc(OC)n2)CC1 749670128 LQJJQZFJPGDQIX-UHFFFAOYSA-N 413.409 0.924 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)C1=O 751656100 FYKVTDATNUCVMD-NSHDSACASA-N 402.388 0.245 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2cc(C(N)=O)no2)cc1 752684682 NAXJCBXHRJFGGN-PXLXIMEGSA-N 420.451 0.908 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 755537798 NGMQEHVUXKNDMJ-GXTWGEPZSA-N 401.423 0.599 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 757391909 WMCDURAINQOMAW-YYQBIWNASA-N 406.483 0.985 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 761963334 RNQCSKBESPDIJC-UHFFFAOYSA-N 418.479 0.355 30 20 HCED C[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 764273010 HFZCVAJIXOTLKU-JEEMYIIMSA-N 410.496 0.715 30 20 HCED C#CC[C@]1(C(=O)N(C)C[C@@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 764613562 QCPRGILWXMBREL-DYESRHJHSA-N 409.527 0.931 30 20 HCED CCOC(=O)CN1CCC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 766381770 MGDCBVIGMFFYPS-ZBFHGGJFSA-N 423.491 0.796 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)C(C)(C)C)CC1)c1cc[nH]n1 770831832 KMJRJUQPTYYYGY-UHFFFAOYSA-N 407.471 0.847 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(OC[C@@H]2CCCO2)CC1)c1cc[nH]n1 772337983 DPYRQMZEUSQDRG-HNNXBMFYSA-N 408.455 0.880 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)[C@H]1CCCO1 773790746 NOPFYHPMSZNKGY-WMLDXEAASA-N 421.475 0.371 30 20 HCED Cn1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc(Br)c1=O 774169341 SSBGDPPNEKRWDN-UHFFFAOYSA-N 419.239 0.581 30 20 HCED C#C[C@H](NCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)[C@@H]1CCCO1 775795154 MNJVOAXOWRJZOL-RYUDHWBXSA-N 419.459 0.757 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 775949177 SDXGLDUJJFBBRJ-QGZVFWFLSA-N 419.551 0.277 30 20 HCED C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 780231475 ARXIIYSGTLATBP-BBDGKBCFSA-N 422.507 0.667 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 783479414 KDRPBFSEHRPHLQ-INIZCTEOSA-N 407.492 0.214 30 20 HCED CNC(=O)[C@H](Cc1ccccc1)OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 784958258 MMXWHTBNMNHALL-KRWDZBQOSA-N 401.444 0.737 30 20 HCED Cn1c(=O)c(C(=O)COC(=O)c2c[nH]c(C#N)c2)c(N)n(Cc2ccccc2)c1=O 786906622 OSWZZODLKCWRNI-UHFFFAOYSA-N 407.386 0.417 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 793724884 POESZDNVZNBJHE-KRWDZBQOSA-N 402.495 0.666 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2c(C)cnn2C)c1=O 795197273 JLTUUTAJNBPGCT-UHFFFAOYSA-N 419.514 0.454 30 20 HCED C#CCC[C@H](O)CNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 799078060 XKRSNPITVOBIRC-INIZCTEOSA-N 410.492 0.149 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 800931309 XHBLBMBNDZEQLA-UHFFFAOYSA-N 424.566 0.596 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCCn1cnc(C#N)n1 803553004 BUQFEHNPQROWOG-ZDUSSCGKSA-N 405.459 0.172 30 20 HCED C[C@](O)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 805580332 QKCGVHZZDIIACT-LJQANCHMSA-N 421.475 0.095 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(O)CCC3(CC2)OCCO3)cc1 810444211 NKYBFTVLAOMFQK-UHFFFAOYSA-N 409.464 0.001 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)C2CCC(NC(=O)COCCOC)CC2)CC1 810988258 FDZWWEHEOIQKQQ-UHFFFAOYSA-N 402.513 0.879 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc1 811831035 QCOSVXZQDIQBFY-UHFFFAOYSA-N 402.432 0.411 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCCc2cnn(C)n2)C1=O 814709890 IGWUAOPZLPAETE-AWEZNQCLSA-N 417.495 0.919 30 20 HCED CCc1ccc(C#CC(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 815646688 PFZNVPFPASLENY-IBGZPJMESA-N 417.531 0.048 30 20 HCED Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 838817478 OLOJXHQWYWGJSH-UHFFFAOYSA-N 407.499 0.969 30 20 HCED N#CCN(C(=O)COC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 914652735 MNLNQJJPHOZAHS-ZBFHGGJFSA-N 419.459 0.122 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O 917249865 CFPDXULWLBLNGS-YJYMSZOUSA-N 420.491 0.865 30 20 HCED N#C[C@@H](C(=O)c1c[nH]c(C(N)=O)c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 917431580 RHJDAAQUJIPQQI-HNNXBMFYSA-N 410.390 0.693 30 20 HCED CNC(=O)COc1cccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 918354921 YAGMOVDVUKQMJE-UHFFFAOYSA-N 416.459 0.166 30 20 HCED C=CCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 919667457 VZAOZXCAOMYBDS-ZFWWWQNUSA-N 417.443 0.635 30 20 HCED C=C[C@](C)(O)CC(=O)N1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1079139815 JNKQNQRVPZZQNY-VYUOOHEOSA-N 404.507 0.957 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc(C)s1 1301806540 KAEHZLJONQBSSV-ZDUSSCGKSA-N 404.500 0.998 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCC(O)CC1 1449705202 PSDJRHSFHXXXLW-QGZVFWFLSA-N 422.551 0.857 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1466065313 ZPNYADIWEPRLMR-ZIAGYGMSSA-N 404.471 0.661 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1638203237 LAUNZNRWKFAIGW-XZDPQHSOSA-N 408.499 0.917 30 20 HCED COc1cc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)ccc1S(C)(=O)=O 1666779694 TZCPRLAXIBOWEE-AAEUAGOBSA-N 403.482 0.218 30 20 HCED CCOC(=O)c1c(NC(=O)N(C)C[C@@H](O)CN2CCOCC2)c(C#N)cn1CC 1678537511 MRHUSRWXZKXSHI-OAHLLOKOSA-N 407.471 0.713 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCC(=O)NC3CC3)CC2)c1C#N 1693407146 QBUFJRYMRIERSN-UHFFFAOYSA-N 411.514 0.886 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 1706077733 PNDGVYOHRKHHHF-ILXRZTDVSA-N 412.516 0.386 30 20 HCED CCCNC(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C#N)C1 1709827017 YJIAVARYWSMMOZ-OAHLLOKOSA-N 405.503 0.842 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1729344183 ZPYBUUDUIQXSBL-UHFFFAOYSA-N 418.523 0.917 30 20 HCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1749818240 MMWFZXFTMQAWBE-XHSDSOJGSA-N 401.471 0.216 30 20 HCED Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1751870512 KGJCZKMLHFERLP-SNVBAGLBSA-N 410.529 0.837 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NC2CCCCC2)CCO1 1771536135 KBJWXAOYWTUUQT-MRXNPFEDSA-N 415.498 0.692 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777825519 PFNFLHZVBGNLDZ-KUHUBIRLSA-N 400.439 0.159 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cnc5ncccn45)C3)C2)c1 1777933477 PBGBGAXCUYSYKJ-HXUWFJFHSA-N 405.418 0.686 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1778972039 PCOFYBMFAURSIH-VLIAUNLRSA-N 414.466 0.141 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1779019598 BIUYHIMDDAMQRQ-CAOWRXNHSA-N 404.511 0.856 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779051513 NACKQGSZKSWEOM-RZQQEMMASA-N 403.483 0.698 30 20 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CC(C)(C)n1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1 1838755306 YOQKWPMLPCTCQE-HXUWFJFHSA-N 416.482 0.407 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1)n1cncn1 1838953015 MWVOGDUMDLNJMK-IERDGZPVSA-N 424.461 0.481 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3)C2)C1 1839171612 BJWKMYPAVULQEP-NRFANRHFSA-N 423.510 0.048 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1839228015 QKNSTXJSBRPCCH-QRWLVFNGSA-N 420.466 0.658 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4cc(Cl)ccn34)C2)C1 1839807490 CWMKFPJBPLDOAF-IBGZPJMESA-N 402.838 0.691 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1)C(F)(F)F 1839895041 GRZCQTOWWFZNFB-QGZVFWFLSA-N 406.401 0.866 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCC3)CCO2)C1 1840560412 YSJXGPLJEGASHM-FQEVSTJZSA-N 406.483 0.029 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840840633 YIVFOVGKNHQQEA-NRFANRHFSA-N 416.478 0.004 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1840842539 NOOUAWDFEOBJTG-JJTSJLALSA-N 407.467 0.385 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1840844612 FNSVSSLSJVLSJS-JOCHJYFZSA-N 410.474 0.906 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1Cc3ccccc3CN1)C2 1841054221 AQHPPSZZEQEVKK-OLHLWXQYSA-N 408.502 0.763 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CSc1ncccn1)C2 1841054288 IQLOWSRYCOHNJJ-WAYWQWQTSA-N 401.492 0.631 30 20 HCED O=C(CN1C(=O)CSC1=S)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260650 XVCWOXPKENXBPW-DJKKODMXSA-N 423.564 0.522 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 18587995 WYAADQPRJYCQSB-UONOGXRCSA-N 423.491 0.373 30 20 HCED C#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 19294525 QCBCIQIKDFXLCR-UHFFFAOYSA-N 404.488 0.869 30 20 HCED COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 42475089 MTYICIZFTJHPFT-OAHLLOKOSA-N 411.380 0.537 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@H](C(N)=O)C1 50848041 BWOPDPRPPMLQDO-ZDUSSCGKSA-N 412.240 0.811 30 20 HCED COc1ccc([C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)N2CCOCC2)cc1 409518692 GHLHAJHNPMSIQP-ZWKOTPCHSA-N 410.496 0.127 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 410126914 GELVNKTVGDOLRZ-UKRRQHHQSA-N 410.496 0.627 30 20 HCED CN(CC(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O)S(=O)(=O)c1ccc(C#N)cc1 427923677 GSLBHXCUGZWCAD-IAGOWNOFSA-N 405.476 0.775 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1 428229116 WEFLICKEQMOABJ-UHFFFAOYSA-N 410.434 0.150 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COC3CCOCC3)CC2)cc1 434545400 WRRDYAPDZHLQGX-KRWDZBQOSA-N 409.508 0.421 30 20 HCED Cc1sc(NC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C#N)c1C 436214801 BFTUTSYNLHCHBR-UHFFFAOYSA-N 417.491 0.468 30 20 HCED CN(CCN1CCOCC1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 439560659 JJLMIQOJRANUSI-UHFFFAOYSA-N 416.869 1.126 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)C1=O 440277931 QNGYVJGXQUHGRD-INIZCTEOSA-N 420.491 0.410 30 20 HCED CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](C)C1 441055577 XALGLJRQPVXQJG-QAPCUYQASA-N 409.494 1.325 30 20 HCED C[C@H]1CCNC(=O)[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 441373045 RLYWCRZQRUGADP-GUYCJALGSA-N 412.450 0.569 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)[C@H](C)[C@@H]2C)cc1 442294706 RETCRXUYVFFPHY-CABCVRRESA-N 408.524 0.983 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 444314464 PIXQZLZYHCJMMH-CZUORRHYSA-N 413.521 0.651 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@](O)(C(F)(F)F)C2)cn1 460705980 ZXQMNMWNSBHUMN-MRXNPFEDSA-N 408.340 0.993 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 464860858 RBTIRCGDPVMPKK-AWEZNQCLSA-N 414.491 0.901 30 20 HCED COC(=O)[C@@H]1C[C@H](O)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 473379939 OKHLNFGEHXHUIO-OKZBNKHCSA-N 404.442 0.143 30 20 HCED CN(CC(=O)N1CCN(C(=O)NC(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)cc1 476309589 UBMCOCIROARYCA-UHFFFAOYSA-N 421.523 0.831 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)NCc1ccccn1 477788763 JQRBZTIZSKLVAY-CQSZACIVSA-N 415.475 0.443 30 20 HCED C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2C(=O)C(=O)NC[C@H]2C1 485423626 OIWBNSBZUASBOF-OLZOCXBDSA-N 415.519 0.858 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489461921 YWVWWHGHOPVJSW-GJZGRUSLSA-N 413.565 0.886 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504103562 LUTANMIIDIDKQD-IIBYNOLFSA-N 409.446 0.890 30 20 HCED COc1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1OCc1cccnc1 508357113 AEPGXNTZJAOHEP-UHFFFAOYSA-N 421.417 0.887 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCO[C@H](C)C2)CC1 508885257 NVJBNYCOMIULQJ-HUUCEWRRSA-N 412.560 0.764 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCC(C)C)c2)c(=O)n1C 510858377 BLAHGTNNWUHRML-UHFFFAOYSA-N 415.515 0.747 30 20 HCED C[C@H](C(=O)NC[C@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511008492 FITZLEBRNQOXPJ-NVXWUHKLSA-N 406.508 0.548 30 20 HCED O=C(NC[C@@H]1CS(=O)(=O)CCO1)C(=O)Nc1ccccc1C#Cc1ccccc1 511441210 FHAWKUDYAJANHR-GOSISDBHSA-N 412.467 0.955 30 20 HCED CN(C)C1(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCC1 514406517 GQINJOBWVTVEEE-GOSISDBHSA-N 411.506 0.766 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN(CC(=O)NC3(C#N)CCC3)CC2)c1 525885836 NWAOICQVBUYKEK-UHFFFAOYSA-N 422.507 0.573 30 20 HCED C=CCN(C(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H](C)c1cccc(-n2cnnn2)c1 537329986 RLIGBQXRMLYALS-CYBMUJFWSA-N 416.467 0.282 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1 539382379 MFKMOIJOODFGDR-LSDHHAIUSA-N 422.507 0.321 30 20 HCED N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 548534354 MPQIBYLNJZHFDH-UHFFFAOYSA-N 401.466 0.325 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)C1=O 560922009 QCNLRIZPOTZWGT-SJLPKXTDSA-N 414.506 0.883 30 20 HCED CNC(=O)COc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 573048398 ASQXMCWOHBYABO-UHFFFAOYSA-N 416.459 0.278 30 20 HCED CC[C@H](C)NC(=O)CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585769527 FSMQECLVFQUELE-AWEZNQCLSA-N 400.483 0.459 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587667179 YVSVLMFZVSRQCA-IRXDYDNUSA-N 401.467 0.348 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)o3)cn2)CC1 588943535 AFSVFOCCRZFXMV-UHFFFAOYSA-N 411.465 0.429 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 603581365 RHPFBVFMJUBOQG-CALCHBBNSA-N 408.524 0.909 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCOC1 603854800 VPNAAXVVQNVLMR-QGZVFWFLSA-N 420.535 0.750 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608983919 MTSKHULJODPJAN-UHFFFAOYSA-N 408.528 0.893 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)CC1 609571777 JIKVQUPNCOUDHW-SFHVURJKSA-N 404.536 0.758 30 20 HCED C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NC1(C#N)CCOCC1 609666511 HFRUBQOODNRYMK-ZDUSSCGKSA-N 409.464 0.704 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669809963 YOIIMGRIKZTACZ-ZDUSSCGKSA-N 424.552 0.974 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCCc3ccccc32)CC1 671945421 XPAYVIJBZMJYKL-UHFFFAOYSA-N 413.522 0.002 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccc(OC)c(F)c2)C1=O 726042599 KZMZAPIUOOVBEM-UHFFFAOYSA-N 421.381 0.313 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 728536201 OGEBTLITXKVMKY-UHFFFAOYSA-N 411.506 0.824 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 744907472 SBWIAZCIJATGGJ-TZMCWYRMSA-N 417.418 0.963 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 747373664 IKRRBCMLHTWHGE-BMFZPTHFSA-N 406.508 0.435 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)Cc2nn(CCO)c(=O)c3ccccc23)c1 748484899 DNQAEFRNIHFLCO-UHFFFAOYSA-N 406.398 0.985 30 20 HCED CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)NCC#N 749879978 LPEOCJBWYUGTTK-UHFFFAOYSA-N 409.512 0.827 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Oc2cc(C(=O)OC)cc(C(=O)OC)c2)C1=O 751054074 HMZPTSMDGSHWKZ-UHFFFAOYSA-N 404.331 0.142 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)OC)CC2)cc1C#N 752405703 XCKFLZAEEOTXBE-UHFFFAOYSA-N 403.395 0.976 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCCS1(=O)=O 752842111 OCDUSFDPVWBMTL-ZDUSSCGKSA-N 413.521 0.589 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)[C@H](C#N)C1 754389023 MIXNQOYNGQXMAC-AZGDMVHKSA-N 414.462 0.765 30 20 HCED COCC(=O)N(C)CC(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 759216124 JIHXCFHIBASJCA-INIZCTEOSA-N 417.422 0.057 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)n1 759412207 GSXLYWXNHXJGEV-CQSZACIVSA-N 407.434 0.795 30 20 HCED CN(CCCNC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)S(C)(=O)=O 762649748 YHRRJIVVSDFCAD-DHDCSXOGSA-N 405.542 0.416 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccn(C)c2)c1=O 763431681 DSXLDCFDJXPKEJ-UHFFFAOYSA-N 414.531 0.869 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 765564272 CQUVVVCQVFBWIG-LBPRGKRZSA-N 408.480 0.961 30 20 HCED NC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 768547335 PYBJHMSMKJVISV-KRWDZBQOSA-N 418.450 0.987 30 20 HCED C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn(CCOC)c2)c1=O 781660163 HRKSPNUJICAOCO-UHFFFAOYSA-N 410.499 0.648 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 783035595 JEUZDLCMLDSOIH-UHFFFAOYSA-N 417.509 0.858 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(c2ncccn2)CC1)c1cc[nH]n1 789956728 HWOXVGYFHJZLOH-UHFFFAOYSA-N 401.427 0.269 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)c1 798263621 CLXATWYETVRTPQ-UHFFFAOYSA-N 402.480 0.159 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)OC 799286975 RMAHMTWYGHOUIC-HNNXBMFYSA-N 403.435 0.139 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 799288424 ZEGQUNXKMILWSZ-VQIMIIECSA-N 413.474 0.684 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 799927941 LMYLZZLSSLYIFO-INIZCTEOSA-N 409.512 0.483 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H]3CSCCS3)C2=O)cc1 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CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838645642 ORMHSYBBYJCEKV-APWZRJJASA-N 409.508 0.812 30 20 HCED Cc1ccnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)c1 1838736002 DMUJWDLFCOOFEM-NRFANRHFSA-N 409.446 0.974 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905371 CHKSRURNPLTLQV-NQIIRXRSSA-N 401.463 0.645 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4csnn4)C3)C2)cc1 1838949628 LYTPZQLBIVGLCR-IBGZPJMESA-N 413.459 0.794 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058239 PEQGKWXSAPTHCY-LAUBAEHRSA-N 401.463 0.119 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ncccn4)C3)C2)cc1 1839362270 IXSQMRZFJCMMHV-JOCHJYFZSA-N 421.457 0.926 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839453671 YASQLHQTSRTKGI-NRFANRHFSA-N 411.414 0.025 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839845168 GHPSNKKDHZWHRZ-CRAIPNDOSA-N 402.513 0.090 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839866568 FGXXHIAPIBMPIJ-HRAATJIYSA-N 407.511 0.571 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1839889304 NOMCBTHFRBPIOA-YMGMXPECSA-N 422.494 0.813 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CN4CCSCC4)C3)C2)CCC1 1840811499 NFKBCRGHAYXIAY-HXUWFJFHSA-N 422.551 0.185 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccc(O)cn4)C3)C2)CCC1 1840816202 QRGIQNOCTURBOB-OAQYLSRUSA-N 414.462 0.480 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@@H]1CC(c3ccccc3)=NN1)C2 1841055696 RVVWCSGCIDXBQU-VJIACCKLSA-N 421.501 0.814 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CSC(=N)N)C1 1842866082 DUCZUKLUHJQPBF-ZDUSSCGKSA-N 423.539 0.733 30 20 HCED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)cc1 1843008283 QOGCTQGJVITEGQ-UHFFFAOYSA-N 417.429 0.349 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)[C@@H]2SC(=N)NC2=O)C1 1843407529 MALWSBBLLSEKOR-UPJWGTAASA-N 409.512 0.793 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)Cn1cc(C)c(O)nc1=O)C2 1844239985 LNXQQFPYAMNZAV-CQSZACIVSA-N 404.467 0.034 30 20 HCED COc1ccc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)nn1 1844301530 TUGROYFVRYJAGV-PBGVMVHZSA-N 403.439 0.831 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 22033407 FAYXFMVZKXRMGX-VIFPVBQESA-N 405.816 0.760 30 20 HCED CCCN(C(=O)[C@H](C)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCS(=O)(=O)C1 29450586 CDXXLNAQOOGURG-WMZOPIPTSA-N 419.551 0.889 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCS(=O)(=O)Cc2ccccc2)C1=O 53270469 AIPFRVYAEAUKMS-UHFFFAOYSA-N 407.448 0.085 30 20 HCED Cn1c(N2CCCN(c3nnc(C(F)(F)F)s3)CC2)c(C#N)c(=O)n(C)c1=O 302710881 LEWCNVCVHWFXFH-UHFFFAOYSA-N 415.401 0.543 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 409503932 ZPRLZFGXOYGJOQ-GFCCVEGCSA-N 404.514 0.201 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 410139129 JUSWZNZIMUUKJQ-UHFFFAOYSA-N 423.583 0.843 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CCC2)c1=O 430987630 LKIIQGMATURTTN-UHFFFAOYSA-N 401.492 0.117 30 20 HCED CCN(C(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 437076296 NWMNTAGWMGEAQC-CQSZACIVSA-N 409.464 0.558 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 439057881 PKUGSXFRXFDKNA-KRWDZBQOSA-N 419.507 0.634 30 20 HCED COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)nn1 443396580 XLZSLFWPYCKSBZ-UHFFFAOYSA-N 403.342 0.820 30 20 HCED Cn1c(N[C@H]2CCN(c3cccc(Br)c3)C2=O)c(C#N)c(=O)n(C)c1=O 447689837 UDKVCBHWVUNZBS-ZDUSSCGKSA-N 418.251 0.936 30 20 HCED CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2OC)C1 463702761 NGPBIIRGZDGMPX-HNNXBMFYSA-N 423.491 0.989 30 20 HCED CC(=O)N1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472489487 WNKSJQMMRUPIBO-MRXNPFEDSA-N 405.480 0.195 30 20 HCED C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(C#N)cc1 475158261 SNWRXVNWOHPYDA-AWEZNQCLSA-N 410.434 0.429 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 482195179 ZWZWBLPNRCMPIY-YNEHKIRRSA-N 401.510 0.505 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@]2(CCCOC2)O1 485269255 SNOZFDPEFNSJPI-VLIAUNLRSA-N 410.434 0.874 30 20 HCED Cn1c(N2C[C@H]3CCC[C@@]3(c3nc(-c4cnccn4)no3)C2)c(C#N)c(=O)n(C)c1=O 485402889 CRVABWGOGWRLPY-MPBGBICISA-N 420.433 0.354 30 20 HCED N#Cc1ncc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 488734241 LOFHIFRJNXKCKR-UHFFFAOYSA-N 403.420 0.387 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 489496283 YJKIDHKYPXCLDY-INIZCTEOSA-N 405.480 0.244 30 20 HCED COCCN(CCOC)S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 490184303 IPYKGKUOEGYRKX-UHFFFAOYSA-N 410.540 0.906 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)CCn2cc(Br)ccc2=O)CC1 492353836 JPNQVRYVZRTDEG-UHFFFAOYSA-N 411.300 0.447 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 501747409 ZWNYRRMNZWTYDK-LLVKDONJSA-N 403.424 0.797 30 20 HCED CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CC#N 504574401 CVXUGCFZNATEMF-QGZVFWFLSA-N 422.507 0.444 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 505152205 JLYGNDMJNVGWJM-MRXNPFEDSA-N 405.418 0.919 30 20 HCED CN(CC(=O)N1CCC[C@@H](Cn2ccnn2)C1)S(=O)(=O)c1ccc(C#N)cc1 505709370 OXTCGFXVVUNTST-MRXNPFEDSA-N 402.480 0.709 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H](CC)C(=O)OC)CC1 507475351 GUZHTPPUYFCVNT-INIZCTEOSA-N 402.451 0.991 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cn1 507519069 VVGJIHUYNCLZQX-UHFFFAOYSA-N 400.416 0.829 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](NC(=O)NC)C1 508507365 HLZZZOUIYGNIJB-ZDUSSCGKSA-N 418.527 0.932 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)s1 510695189 BBJVMVPMHWAXQJ-VWYCJHECSA-N 402.502 0.122 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 521417018 KBTZMMOFOWYUDL-CYBMUJFWSA-N 423.395 0.745 30 20 HCED Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)cc1S(=O)(=O)NCC#N 521780554 ZANQALMLWDTEOB-OAHLLOKOSA-N 422.532 0.933 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CN1CCC(C)CC1 544202690 JJSUIGNIPOBWRL-QGZVFWFLSA-N 418.494 0.731 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3(N(C)C)CCCC3)CC2)c1C#N 550379508 RNVQBHVHZNGOJW-UHFFFAOYSA-N 401.515 0.239 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 550705660 XIZJGAXUBCRHAH-HXUWFJFHSA-N 419.485 0.899 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)nc1 550810239 LYCFCYCHZGNROS-UHFFFAOYSA-N 412.494 0.732 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)cc1 554470146 JJBKCOABYHMRDH-LJQANCHMSA-N 406.490 0.989 30 20 HCED CCNC(=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 554877087 FJPYTHZAZFYUDD-UHFFFAOYSA-N 411.506 0.625 30 20 HCED COC(=O)CC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 557136660 MFNWGSCJSFKXEE-AWEZNQCLSA-N 423.491 0.701 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCc1cc(F)c(C#N)c(F)c1 572743112 JIPGBVIMDTYNHL-SNVBAGLBSA-N 422.413 0.919 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)cc1F 582944259 WGSYGQKSHQKXNN-UHFFFAOYSA-N 417.462 0.661 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 585701268 SOSXGJBVAMOYGG-BBRMVZONSA-N 421.461 0.585 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 608780660 OMLPVXUHBTUDFL-HNNXBMFYSA-N 423.495 0.818 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1=O 613979352 DEIQCTCAAAPWJA-JKSUJKDBSA-N 406.483 0.255 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCN2C1=O 617056952 NBFDBIJSWRIPTJ-IRXDYDNUSA-N 424.461 0.337 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CC1 728531980 VWYNYXDGARJTNI-UHFFFAOYSA-N 417.531 0.233 30 20 HCED CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)CS(=O)(=O)CC 733182907 CHOAQCDUYOCIKB-CYBMUJFWSA-N 415.537 0.787 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 741645982 OWNZSZBTGOXVSA-CYBMUJFWSA-N 407.423 0.942 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)CC1 742633412 BBFCWIZESRIAQV-UHFFFAOYSA-N 402.451 0.169 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 744933055 LSKCSGMODOLUDO-UHFFFAOYSA-N 413.390 0.380 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c1 746616714 HMXVOGDYSGUJJI-HNNXBMFYSA-N 407.492 0.308 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)c1 748746699 UFGBOEAIFANICB-INIZCTEOSA-N 407.517 0.734 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 749665534 FGEKKJOSOTYKGB-UHFFFAOYSA-N 409.830 0.633 30 20 HCED COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1cccc(C#N)c1 751675191 VMJMGENOZNSEIH-QGZVFWFLSA-N 416.411 0.888 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(OC(F)F)c(F)c2)c(=O)n(C)c1=O 754711371 ORZXMJYCORWQOS-UHFFFAOYSA-N 406.342 0.137 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)nn(C(C)(C)C)c2C)c1=O 758077021 LQZBNZZOPOWPKU-UHFFFAOYSA-N 423.542 0.893 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 758117290 BRKCPYYAHWBZLE-UHFFFAOYSA-N 412.415 0.793 30 20 HCED COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C3CCN(C)CC3)c1=O)OCO2 758950555 FAKCNLRHCCLIJK-UHFFFAOYSA-N 424.482 0.940 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1CCSC 772312168 QRRIKFGIMLNDSW-UHFFFAOYSA-N 401.517 0.375 30 20 HCED CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCSC[C@H]3C#N)n12 775571589 DXBMZPSQNWLSRA-SNVBAGLBSA-N 407.529 0.364 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)OC)oc2CC)CC1 778626172 GBSOIRRMQHPMMR-UHFFFAOYSA-N 411.480 0.074 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)Cn2nnnc2CNC(=O)OC(C)(C)C)CC1 779761191 KRUMONOHAJWUHH-AWEZNQCLSA-N 406.491 0.390 30 20 HCED COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 780051579 SZZMFDBGLWYRON-CQSZACIVSA-N 402.451 0.917 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)c1 783455376 RHIGPFIXSNKESA-UHFFFAOYSA-N 414.443 0.351 30 20 HCED CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 786001676 DPRWNDJFLSIDOV-KRWDZBQOSA-N 400.460 0.946 30 20 HCED 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Cn1cnc(S(=O)(=O)NCC(=O)OCc2nnc(-c3cccc(C#N)c3)o2)c1 756451676 JRPRQTYEUHDCSE-UHFFFAOYSA-N 402.392 0.363 30 20 HCED C#C[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1)[C@@H]1CCCO1 760516328 IGOJAKPKPWWEJW-KSZLIROESA-N 421.519 0.513 30 20 HCED CC(C)[C@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCS(=O)(=O)C1 761215462 QFBHKAWCGNTEKW-KSSFIOAISA-N 407.444 0.638 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOc1cccc(C#N)c1 762944348 PQEDABLFEVQSBD-ZDUSSCGKSA-N 417.443 0.946 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1 763713637 JSCXSSGACGOTIQ-RTBURBONSA-N 405.520 0.971 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@H](C)c3ccsc3)CC2)c1=O 764953232 DWGWVQSCXCFHKC-MRXNPFEDSA-N 417.535 0.942 30 20 HCED COC(=O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 765717230 DXKNVHKZXAUEHT-CQSZACIVSA-N 423.491 0.796 30 20 HCED C[C@@H](C#N)Oc1ccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 769464184 VSBZHKDUELUFIT-WMZOPIPTSA-N 420.535 0.398 30 20 HCED COC[C@@](C)(C#N)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 771579715 SVUIXTCRDPPKOE-FZKQIMNGSA-N 407.448 0.669 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)C(C)(C)C(=O)N2 771889964 CQJBPDPEPMMZHL-UHFFFAOYSA-N 419.463 0.016 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 776061787 AVJABRLDWBLNMN-UHFFFAOYSA-N 404.514 0.881 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 785156461 FMXYTNXABUWAII-UHFFFAOYSA-N 407.492 0.874 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)n(CCC#N)n1 785257434 SVKMMJSQQBZODD-GJZGRUSLSA-N 401.423 0.988 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C(=O)NC1(C#N)CCC1 787645087 SPRIBHVAOWFQLU-OLZOCXBDSA-N 409.464 0.453 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3)CC2)c1C#N 788114096 MWOAXTRKTAPFHL-UHFFFAOYSA-N 402.480 0.934 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1)S(=O)(=O)C1CCOCC1 796993144 RJFLLYNHAXJZEX-JTQLQIEISA-N 420.896 0.999 30 20 HCED C#CCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 799200509 DVWMDXNUFQKBSC-UHFFFAOYSA-N 400.504 0.467 30 20 HCED C[C@@]1(CCCC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)NC(=O)NC1=O 801432278 NMSLKGWXIPLTNW-FQEVSTJZSA-N 424.417 0.994 30 20 HCED Nc1nc2c(s1)C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 816557650 XKKPFMHDFAPPDX-JTQLQIEISA-N 405.505 0.828 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)C(=O)Nc1cccc(C#N)c1 914652247 VFOGLYICRAIDNN-JGGQBBKZSA-N 419.459 0.464 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 921130967 HAEDHRXAOOPMRL-UHFFFAOYSA-N 416.297 0.885 30 20 HCED COc1cc(C#N)ccc1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1124965991 KVQPVFAXZBAXFW-UHFFFAOYSA-N 414.443 0.940 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cc2ncon2)CC1 1156114687 SNXQQGKODGSAJP-UHFFFAOYSA-N 403.464 0.980 30 20 HCED CCOC1CC(O)(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1314256285 ZOGINIUXDYKMKD-GXZXJKLZSA-N 414.532 0.557 30 20 HCED Cc1cccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1C#N 1320025576 APMUKPYMLQJECN-UHFFFAOYSA-N 418.519 0.991 30 20 HCED COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1475605287 OSKGCQSSGNSCIU-LDYMZIIASA-N 407.217 0.757 30 20 HCED C[C@@H](CC(=O)NC1(CO)COC(C)(C)OC1)/N=C1/NS(=O)(=O)c2ccccc21 1556425797 NOUOXLAPWKRCNH-LBPRGKRZSA-N 411.480 0.134 30 20 HCED Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCS1(=O)=O 1618437508 WYYUZKPGCNAKFW-QGZVFWFLSA-N 407.475 0.761 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1627618333 QZRFNFVSFSDIER-APHBMKBZSA-N 411.505 0.403 30 20 HCED N#Cc1cn(CCNC(=O)CCCN2CCN(c3ccccc3)CC2)c(=O)nc1O 1646148063 QHGPTQSJVILZTG-UHFFFAOYSA-N 410.478 0.539 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1663464382 JZTKDKRBTFILLZ-IUCAKERBSA-N 407.370 0.922 30 20 HCED CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697030478 HFKFHYYRGKMOTN-CVEARBPZSA-N 423.543 0.245 30 20 HCED CS(=O)(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1712685738 QHQXVOLRVQXVDF-UONOGXRCSA-N 422.511 0.315 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOC[C@@H]1C 1741904829 PTRXFQRCPJJAJF-KKUMJFAQSA-N 413.548 0.347 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1748123646 PFLSFSPDCLXNKE-AWEZNQCLSA-N 413.482 0.635 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1761217312 LXAMVLXQIUQCMY-BEFAXECRSA-N 407.494 0.705 30 20 HCED CC[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1764255872 KGOJTOJCVMYKMZ-BBWFWOEESA-N 422.555 0.783 30 20 HCED CN(C)C(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1766849187 QKLJALZGKYTEJN-DLBZAZTESA-N 423.477 0.708 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](OC(C)=O)C(C)C)C2)C1 1778804239 ZOFFDQMQCPMCFX-RXVVDRJESA-N 424.494 0.913 30 20 HCED C[Si](C)(C)c1cc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)co1 1779001488 QZUCOEATJMPIED-IBGZPJMESA-N 404.495 0.356 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014530 VQYKUIQJBARQGF-NPJMMCDESA-N 407.515 0.203 30 20 HCED Cc1nocc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779100259 AFWBDYCZDWEZOF-KLYYFNTPSA-N 406.439 0.956 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780119805 JBGWOYUZORNOOK-DYESRHJHSA-N 418.494 0.880 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1781263936 KACKQURCGYBLRN-SJORKVTESA-N 422.400 0.639 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)ncn1)CCO2 1781264365 XKPIJEWJROVHGK-IBGZPJMESA-N 404.423 0.135 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)Cn3nc(C)cc3C)CCO2)C1 1781265050 IPSKIWBBIQMZIW-OAQYLSRUSA-N 418.494 0.839 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccn(C)n3)CCO2)C1 1781268265 LBFXMLTVWKAMOA-FQEVSTJZSA-N 404.467 0.302 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO3)c1 1781966490 GFXGPUOWWAPERL-XOBRGWDASA-N 400.410 0.277 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4CC(c5ccccc5)=NN4)C3)C2)CC1 1782601116 UYTNNRMSPUEUDI-PGRDOPGGSA-N 407.474 0.886 30 20 HCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O)CCO2 1783910666 FVFTXIFHCQXTII-NQIIRXRSSA-N 415.494 0.090 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1784352804 WCWLLLPGQJYNCQ-FXCLAUTBSA-N 416.522 0.918 30 20 HCED CN1CC(C(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(F)c(C#N)c4)CCO3)C2)C1 1784784276 ONBXGTJBUZSQMS-OAQYLSRUSA-N 400.454 0.631 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccn(C(F)F)n3)[C@H]2C1 1788937942 FQVNTBCXJUNMFC-YXWQFLTLSA-N 410.421 0.910 30 20 HCED COc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)ccc(F)c1F 1790170662 SFLQTFZNNCYWHV-WHOFXGATSA-N 422.384 0.655 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3(C(=O)OCC)CC3)[C@H]2C1 1790717968 QQNDCUAEUHQANH-QAETUUGQSA-N 406.479 0.348 30 20 HCED Cc1nccn1CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC(=O)O)C[C@@H]21 1791572568 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N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H]3CN3CCCC3)n2)cc1 438715639 GTDAOMRAAQMQKW-SFHVURJKSA-N 407.478 1.223 30 20 HCED N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)NCC(=O)NCCO)cc1 439248764 QGSWBKDGOQQPEN-UHFFFAOYSA-N 410.430 0.495 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)C1=O 440252086 FLUIUIHGZINVJS-HLLBOEOZSA-N 415.494 0.879 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 445105870 DZAYCODFQLPTGZ-UHFFFAOYSA-N 402.495 0.998 30 20 HCED CN(CCS(=O)(=O)N(CCC#N)CCC#N)S(=O)(=O)c1ccc(F)cc1 462148041 ATXFSSZUXUNUSY-UHFFFAOYSA-N 402.473 0.905 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccs1 465117999 CWPPUHKQXXIFON-QWHCGFSZSA-N 420.520 0.814 30 20 HCED C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 467992471 GDRDZWBDFGLTRH-NHQZAOEJSA-N 409.446 0.153 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C[C@H](C(N)=O)O1 471003196 CKAGWAVAFYZDDR-MLGOLLRUSA-N 409.402 0.785 30 20 HCED N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 472082113 FPWNVEKZRADZOW-INIZCTEOSA-N 409.475 0.875 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)c1C#N 472686924 MTRNLHBPZMGJSL-UHFFFAOYSA-N 415.385 0.935 30 20 HCED C[C@@](O)(CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)CN1CCOCC1 478559977 XZRPYXIWWMRUTO-OAQYLSRUSA-N 402.495 0.913 30 20 HCED CCOC(=O)c1c(NC(=O)NCC(=O)N2CCOCC2)c(C#N)cn1CCOC 481456252 YSNXQOHMWJDEOX-UHFFFAOYSA-N 407.427 0.163 30 20 HCED CN(CC(=O)NCc1nc(C(F)(F)F)n[nH]1)S(=O)(=O)c1ccc(C#N)cc1 482220358 XWJCPCNGWFLXCP-UHFFFAOYSA-N 402.358 0.632 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2ccc(OC)c(OC)c2OC)C1=O 483011860 JYZZCYWVAVVUJC-HNNXBMFYSA-N 419.478 0.616 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C 489001841 JXKAFSYNRZVMPH-UHFFFAOYSA-N 409.414 0.314 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 493655034 JNRMRNVMAURVCO-CQSZACIVSA-N 420.491 0.311 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)c(F)c1 502241648 JICICWJXDDAFKW-SJLPKXTDSA-N 413.453 0.616 30 20 HCED CSCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505682066 BQYIEWZDNOEKLJ-UHFFFAOYSA-N 419.576 0.733 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 506615568 OKRGEZOBEQPRRW-QGZVFWFLSA-N 409.556 0.924 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)n1 511430299 QUIMNZWMGNGNSM-UHFFFAOYSA-N 402.358 0.420 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCc3ccccc3S(N)(=O)=O)CC2)c1 513334624 IGIDUXMDLYWITB-UHFFFAOYSA-N 400.464 0.632 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCO[C@H](C#N)C2)CC1 514313237 JIRIDRATEGBKTO-MRXNPFEDSA-N 407.496 0.057 30 20 HCED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c1=O 518636071 RVSUCYBKWQBBCG-UHFFFAOYSA-N 417.462 0.661 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CC(N)=O 532620179 TZDHFTAXKUGEDB-UHFFFAOYSA-N 423.416 0.931 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)nc1 550267619 CMUDARJVHWNMNG-UHFFFAOYSA-N 417.429 0.885 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 550373364 TWENCFBYBUGBPM-CVEARBPZSA-N 420.510 0.845 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1 551041953 DTTWVVCBRZLUTP-OAHLLOKOSA-N 408.480 0.033 30 20 HCED N#CCN1CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 552210388 ZZPKHFOKFFKZBL-UHFFFAOYSA-N 415.269 0.610 30 20 HCED C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 561242209 PLAFWEKKTQPVJM-UHFFFAOYSA-N 422.511 0.774 30 20 HCED N#CCNC(=O)CNC(=O)NCC(=O)Nc1ccc(I)cc1 561799163 NLYFCRGGXNRYQV-UHFFFAOYSA-N 415.191 0.169 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)n1 574473307 AOQFKBKIYQGWKB-UHFFFAOYSA-N 421.458 0.441 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)cs1 579531892 LIXODEAGQPURJU-UHFFFAOYSA-N 413.506 0.413 30 20 HCED C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 580367013 KUOWNLXWIVXDHY-IYBDPMFKSA-N 405.524 0.764 30 20 HCED CS(=O)(=O)NCC[C@H]1CCCCN1CCS(=O)(=O)c1ccc(C#N)cn1 580856693 ROWVSHOSLKRQHB-OAHLLOKOSA-N 400.526 0.521 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCn4ccnc4C3)C2=O)cc1 580974778 WIESTARKLSIBND-RDJZCZTQSA-N 406.446 0.498 30 20 HCED CN1CCC(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 586823964 KLWDARVPFXVLBZ-UHFFFAOYSA-N 414.510 0.920 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 587659026 HCYAKQJVFXPKHV-MRXNPFEDSA-N 413.478 0.840 30 20 HCED CN(CC(=O)NCc1ccccc1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 589416211 FLORNEQMVGDUJT-UHFFFAOYSA-N 417.429 0.852 30 20 HCED Cc1nccc(N2CCN(C(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)n1 600879252 UHJOEBACJBMNCI-UHFFFAOYSA-N 420.477 0.049 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)CCO1 609944778 WNEGLJRRDJVYBU-CVEARBPZSA-N 401.423 0.677 30 20 HCED C=C(C)Cn1c(COC)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 670218504 YFVYGQCZISOIHP-OAHLLOKOSA-N 401.533 0.877 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 678689268 IGQOQIHVRXPJTM-QZTJIDSGSA-N 415.494 0.990 30 20 HCED CC1(C)CN(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 725727225 XSRTWKFLYQKJOC-UHFFFAOYSA-N 408.524 0.732 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1 732322581 NOAVOWKVPUHVGB-MRXNPFEDSA-N 402.432 0.294 30 20 HCED CN(C)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 733809457 PMSPYDFXBUQOMG-UHFFFAOYSA-N 408.524 0.732 30 20 HCED CC(=NN[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739403606 XOJFQZDVKASFDX-HNNXBMFYSA-N 401.510 0.208 30 20 HCED CCO[C@H](C)c1noc(CN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 742734699 CMJZMDPXIXRTGK-LLVKDONJSA-N 407.452 0.864 30 20 HCED Cn1cc([C@@H](O)CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 743648373 ZRIUHSDDYNLQMQ-INIZCTEOSA-N 419.507 0.869 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)cc1 745410473 HXBQJLMRKOXXMC-UHFFFAOYSA-N 407.473 0.639 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1Cl 745479770 WJHLSMAPPPYDFQ-OMNBBPDLSA-N 417.805 0.856 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 747816845 YSEMMGVRJXXYOJ-UHFFFAOYSA-N 412.534 0.801 30 20 HCED CN(C)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cl 749656904 SHINWHSVSMXSCF-FOCLMDBBSA-N 405.842 0.987 30 20 HCED COC(=O)[C@@]1(F)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 752116494 NVBLPYDXPWTDPR-GOSISDBHSA-N 400.370 0.250 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 753301556 PKUWJLVYQLXZAQ-MRXNPFEDSA-N 405.520 0.477 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753357335 HNJBGGWCSPXHNX-UHFFFAOYSA-N 400.460 0.240 30 20 HCED N#C[C@@H](C(=O)c1cnc(OCc2ccccc2)cn1)C(=O)N1CCS(=O)(=O)CC1 759495090 JSOWDGMEPQSEDL-HNNXBMFYSA-N 414.443 0.635 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)o1 760378738 UBYWGTXFEWOTTP-UHFFFAOYSA-N 401.488 0.837 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)C1 761010750 LXCYBRJWULSLAX-NWANDNLSSA-N 406.487 0.991 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cc(OC)cc(OC)c2)CC1 761039737 ZZHUUERJNGAEDQ-KRWDZBQOSA-N 411.480 0.003 30 20 HCED CC[C@@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 767962628 FVXNGZRANNKUOA-IBGZPJMESA-N 404.492 0.997 30 20 HCED C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=Cc3cn(CC(=O)O)nn3)nc2)C1 768481852 FZQWVBXNGMSDAY-BETUJISGSA-N 421.483 0.870 30 20 HCED C#CCCN1CCN(CC(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)CC1 776593389 VMWNUTJTEATACO-OAQYLSRUSA-N 413.478 0.134 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1COC2(CCOCC2)O1 777022948 OMTLWWHRAYYOJZ-ZDUSSCGKSA-N 409.464 0.154 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778815934 BPFLWWRXXGUJQI-KRWDZBQOSA-N 423.491 0.941 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)CNS(=O)(=O)/C=C/c3ccccc3)nc12 782407428 VYJGVSCAWGFNCA-VOTSOKGWSA-N 413.415 0.940 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 783004157 ILXQHRARQVMXPA-UHFFFAOYSA-N 403.473 0.151 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 783298822 WVRVONYLAOGLON-UHFFFAOYSA-N 403.526 0.516 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 783347926 UHVSNLBNRFNGEW-UHFFFAOYSA-N 422.551 0.480 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CCS(=O)(=O)C1 783478233 BKABLXCERGATMY-MRXNPFEDSA-N 403.460 0.957 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 784450098 PBOWJTDQUYWCMK-UHFFFAOYSA-N 407.858 0.603 30 20 HCED C#CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 784769362 ZDPRXDBJUGXXCJ-UHFFFAOYSA-N 421.519 0.374 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCCO1 786659477 ZVNIATKAHMHQOP-GJZGRUSLSA-N 404.467 0.044 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c[nH]1 786900380 NQBBBDAVEUKYLE-UHFFFAOYSA-N 402.432 0.576 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 792446507 DADMPPNVTYLQTD-AWEZNQCLSA-N 423.491 0.573 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2C#N)C1 792786034 XQARWTHETNCADA-ZDUSSCGKSA-N 419.500 0.758 30 20 HCED CCOC(=O)c1nn(C)cc1/C=C\C(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 792865748 IEJZPHNYIQHONN-TWGQIWQCSA-N 421.431 0.856 30 20 HCED CN(CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 793585357 BNKBAEXEZMVGCZ-MAUKXSAKSA-N 405.480 0.248 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)CCN1C(=O)OC(C)(C)C 805061797 VKRVFNJSMWKNDN-GOEBONIOSA-N 407.515 0.995 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)n1 810377974 KKPOFZTZAZVMMT-CRAIPNDOSA-N 420.429 0.678 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 810778834 OQMDGRPCKUHWID-AWEZNQCLSA-N 415.449 0.217 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CC(C#N)C1 817555026 UHEXYPUSOGASDS-JCVNQNCUSA-N 411.505 0.362 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cccc(C)c1 838818551 IUORWBFDWHHYRD-UHFFFAOYSA-N 407.499 0.970 30 20 HCED Cn1cc(C=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c(=O)n(C)c1=O 839400156 GPUFGELJNCERIW-UHFFFAOYSA-N 406.468 0.100 30 20 HCED COC(=O)[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc2O1 881807927 HIATXBNAXDBSKV-OAHLLOKOSA-N 415.427 0.692 30 20 HCED C[C@H](OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)C(=O)Nc1ccccc1C#N 913374665 MHNKDAFOVHMAPJ-NSHDSACASA-N 407.386 0.688 30 20 HCED CN(C)C(=O)CN(CC(F)(F)F)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 916677203 HBNINIAXJKRXAZ-UHFFFAOYSA-N 406.386 0.204 30 20 HCED C=CCn1cc(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4OC[C@@H]5COCC[C@@H]54)[C@@H]3C2)nn1 1022377882 XJGRPDBRYLSRMV-OLEVXBPZSA-N 401.467 0.189 30 20 HCED C[C@@H](CC(=O)N1CCC(n2cnnc2O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1156471541 VYFFITVPCARSFB-LBPRGKRZSA-N 418.479 0.665 30 20 HCED C#CCNC(=O)[C@@H](C)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)(COC)CC1 1162367344 XREQOVGSDALIJW-QKDSSNGWSA-N 403.523 0.393 30 20 HCED N#Cc1ccc(N2CC[C@@H](N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)C2=O)cc1 1169234132 QCVXNTRKGGRUKK-MRXNPFEDSA-N 400.464 0.393 30 20 HCED CC(=O)N1CCC(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318156507 JTHPCRXBDJWPNI-MRXNPFEDSA-N 412.446 0.581 30 20 HCED Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)c1cc[nH]n1 1492927473 SVADSUVKDJBUJL-UHFFFAOYSA-N 419.493 0.934 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCCC1 1504884715 ROMWRDKIWHPQQX-UHFFFAOYSA-N 417.514 0.926 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508406147 KCFLOAUCMZRBNF-CABCVRRESA-N 423.543 0.391 30 20 HCED CC(C)CC(=O)N1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558019399 ZFBKBRFWUKHNSL-UHFFFAOYSA-N 406.508 0.832 30 20 HCED C[C@@H]1CN(C(=O)c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)C[C@@H](C)O1 1583149781 RFLCETIJNYKHSI-CHWSQXEVSA-N 411.418 0.709 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(=O)n1C 1614780934 IOFHYTJSDIQPCN-UHFFFAOYSA-N 416.459 0.322 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(CNC(=O)C(F)(F)F)C1 1632892234 VGXKOYAXJYNJRJ-JTQLQIEISA-N 418.397 0.362 30 20 HCED CNC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1665658586 OQJPNNXEAUCVHJ-UHFFFAOYSA-N 402.474 0.739 30 20 HCED 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FQVPEVVUKKQCAW-NRFANRHFSA-N 409.446 0.676 30 20 HCED Cn1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)cn1 1838953415 WMBLEAQRZKQXHK-QFIPXVFZSA-N 423.473 0.604 30 20 HCED CC[C@H](NC)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C)cc(C#N)c3)CCO2)C1 1839451615 GEDQUZOCOUGCIL-SIKLNZKXSA-N 414.506 0.935 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4cccc(OC)c4C3)C2)C1 1839810212 LDELLSGVCSMPGF-WZONZLPQSA-N 412.486 0.890 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1839890489 CLQJTZNQKXFNQR-KDOFPFPSSA-N 415.437 0.180 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(-n4cnnc4)cc3)C2)C1 1840172465 OWDBHKBIAJMBBN-OAQYLSRUSA-N 411.462 0.913 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840359541 LIFMQBUXTQTCQG-HXUWFJFHSA-N 403.483 0.318 30 20 HCED C[C@H](Cn1ccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840430129 NCMDWSTUWQSMTB-UZLBHIALSA-N 401.467 0.279 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)N1C[C@H]2C[C@H]2C1 1840813958 HIMXTJXPGRGNPW-QSNWEANLSA-N 416.522 0.477 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc(F)nc4)C3)C2)CCC1 1840814555 QBQCUPICATWERJ-FQEVSTJZSA-N 402.426 0.985 30 20 HCED Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1840904127 AALOYMUGJZVAOG-NRFANRHFSA-N 414.462 0.095 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccc(NC(C)=O)o1)C2 1841054851 NREYRIWMTFACJX-VURMDHGXSA-N 400.435 0.913 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 1841080880 XVCLEERVHAEHTO-HNNXBMFYSA-N 403.479 0.992 30 20 HCED O=C(c1ccc(-n2c(O)nnc2O)cc1)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841541165 QBXRPQJKXNATRN-UHFFFAOYSA-N 407.430 0.909 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)c2cc(C(=O)O)ncn2)C1 1842217293 JDWUZRUZJNNSQW-UHFFFAOYSA-N 402.407 0.501 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1c(O)cc(O)cc1O)C2 1842920899 OOZBUVRECZMLQP-UHFFFAOYSA-N 402.451 0.902 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCc3nc(N)n[nH]3)C2)c(C#N)c1 1844183968 IEAGZUJMFUOAPG-UHFFFAOYSA-N 423.477 0.646 30 20 HCED O=C(c1cnc(O)nc1O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844300364 AISZPCSIWPQESZ-UMXKZIAQSA-N 405.411 0.234 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)C(=O)Nc2cccnc2)C1 1844342402 WYWKNNTYGNHVCB-UHFFFAOYSA-N 400.435 0.733 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NCc2cccnc2)cc1 142922371 OCYDFKMNXZOGMJ-UHFFFAOYSA-N 402.476 0.982 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)CCO1 410124724 LJQYEXXVJYRADK-QGZVFWFLSA-N 410.471 0.372 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(Cn3cncn3)CC2)n1 427510025 TZSIVYUQBVWMBV-UHFFFAOYSA-N 422.424 1.352 30 20 HCED Cc1c([C@@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cnn1C 431208728 PMPMMWKPGUCKTP-APWZRJJASA-N 407.478 0.863 30 20 HCED CN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)CC(C)(C)C#N 433316597 IXXJAERIKCFZJG-GOSISDBHSA-N 400.479 0.979 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCN2CCNC(=O)C2)cc1Br 433880995 DKTSLSXBGKLRHJ-UHFFFAOYSA-N 401.286 0.421 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H](NS(=O)(=O)N(C)CCC#N)C1=O 442790374 INIGSAGBSXLEKH-UONOGXRCSA-N 402.517 0.633 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)cc1OC 442816169 WLKYNOLYVDZPAH-CYBMUJFWSA-N 403.478 0.846 30 20 HCED Cc1nc(C)n(C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CCO2)n1 443320196 MAHVNBOCBUVXLT-ZDUSSCGKSA-N 406.424 0.765 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 447890901 NGSWVWUYIFLNMA-ZWKOTPCHSA-N 414.462 0.434 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)NCC2CCN(CC#N)CC2)cc1OC 461678616 YOSAWZKYRWLKAS-UHFFFAOYSA-N 424.523 0.724 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC(=O)NC2CC2)c1 465232978 DRWORUOFPKGKDB-CYBMUJFWSA-N 409.454 0.566 30 20 HCED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1=O 465235681 FGUAGWGCXYVFJC-UHFFFAOYSA-N 400.826 0.593 30 20 HCED COC(=O)c1cccc(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 466656952 BKENKODTBFNLFW-UHFFFAOYSA-N 418.413 1.240 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCCN(S(C)(=O)=O)CC3)C2)n1 471858686 TTXDOFVYFOUQKO-KRWDZBQOSA-N 405.524 0.972 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccc(C#N)cc2)s1 474510227 KNGBYIHTRRGAJL-UHFFFAOYSA-N 406.489 0.753 30 20 HCED COc1c(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C)nn1C 480075566 WUJCEUFDBRSFGK-QGZVFWFLSA-N 410.478 0.590 30 20 HCED C=CCN(CC=C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 480516806 VDNVNVQMKKOALA-UHFFFAOYSA-N 420.535 0.440 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 480847497 VOANAPNAZPNJRN-SFHVURJKSA-N 420.535 0.530 30 20 HCED N#Cc1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c(Br)c1 481146641 UBWSTIDYRJNTDB-HZPDHXFCSA-N 414.325 0.596 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nccn2C)CC1 488232902 PZYQDBQQVBSBPN-CQSZACIVSA-N 402.480 0.307 30 20 HCED CCn1cc([C@@H]2C[S@@](=O)CCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cn1 488242332 HLFAOXWZEQAYKS-GWZHAIQQSA-N 420.583 0.701 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3(O)CCS(=O)(=O)CC3)C2)c(F)c1 496626460 BOOMTTDBMKSACY-HNNXBMFYSA-N 424.498 0.905 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 506619034 CAERGIPHIRFZSZ-UHFFFAOYSA-N 424.454 0.500 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508712866 IXYDWOVXWFEUNB-HOTGVXAUSA-N 411.528 0.946 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1 508940349 CTKZBXAFBWWPGA-UHFFFAOYSA-N 417.429 0.688 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)n1 510289912 KNJPYPDSGSHMIJ-KBPBESRZSA-N 400.505 0.763 30 20 HCED C[C@H](C(=O)NC[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511009072 FITZLEBRNQOXPJ-WBVHZDCISA-N 406.508 0.548 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003495 PAPMEBLNZKMQLP-FZKQIMNGSA-N 405.480 0.371 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCO[C@@H](C(C)(C)C)C3)CC2)c1C#N 514411337 YOQFFJNYDSWYNV-DOTOQJQBSA-N 416.526 0.959 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)CC)cc1 521021280 KDYQXGTYRZRWIS-KBPBESRZSA-N 424.523 0.851 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)c3ccccn3)c2)C1=O 522241917 OXHVYDCGDRVHSH-UHFFFAOYSA-N 421.413 0.927 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C)o2)c1=O 523744446 NHAFTQCJAQMQPP-UHFFFAOYSA-N 401.488 0.973 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1C[C@@H](C)O 525714853 HDFWLZWCSGBPRI-WBVHZDCISA-N 408.524 0.482 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)OCC)C1=O 547640917 SVWYWBUNRZCZQL-HNNXBMFYSA-N 401.419 0.596 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3O)CC2)c1 550806386 UTXALUCDPJQNPD-UHFFFAOYSA-N 400.460 0.891 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)C2 559591251 YCSRLCHAGBNRGO-KRWDZBQOSA-N 405.462 0.374 30 20 HCED CN1CCC[C@@H](CN(C)C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 561710910 SYXRGDJRSPGVLU-RTBURBONSA-N 411.506 0.576 30 20 HCED CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 561782313 CPRNMSLMRLACLV-DLBZAZTESA-N 417.485 0.571 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@H]2C1 572517811 JYWYOZZAIIUKKC-QRVBRYPASA-N 409.490 0.328 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)cc1 572886268 HISKYOZEKXRIMP-UHFFFAOYSA-N 402.455 0.758 30 20 HCED CN1CCN(c2cc(CNC(=O)C(=O)N(C)Cc3cccc(C#N)c3)ccn2)CC1 582255250 NVODQTBJKJMELJ-UHFFFAOYSA-N 406.490 0.980 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCOC4(CCC4)C3)C2=O)cc1 582628390 LKTZLTQLIHMIMJ-ZWKOTPCHSA-N 410.474 0.993 30 20 HCED C[C@H]1C[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CN1Cc1ccccc1 583045499 QJYAWOILPLVCKB-RDJZCZTQSA-N 423.521 1.034 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C 590983142 CACVHZBUCUZNSJ-UHFFFAOYSA-N 417.874 0.677 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)N(C)C 604269883 HILGGKSISQCVDV-UHFFFAOYSA-N 416.478 0.166 30 20 HCED Cc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1S(=O)(=O)NCC#N 609029571 JYVTVKPLWYOZQY-UHFFFAOYSA-N 400.464 0.549 30 20 HCED CS(=O)(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 611430355 AHIWXBYTQNSTMU-INIZCTEOSA-N 410.565 0.966 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CNC(=O)CCC)C2)c1=O 726185761 MUYAWMCBXUPVLA-MRXNPFEDSA-N 405.499 0.130 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1 728636703 ZNQIMJKNRGTFQV-HNNXBMFYSA-N 402.407 0.739 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C[C@@H]2CCCO2)CC1 733159998 ZKXJFTHJQHAFMD-HNNXBMFYSA-N 406.508 0.485 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 734483937 MZOCFJGLGVEXQX-SFHVURJKSA-N 409.471 0.851 30 20 HCED CCCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 735730636 RDBRVBDQRPMVRH-UHFFFAOYSA-N 423.491 0.751 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2sc(C)nc2C)c(=O)n1CCOCC 736584275 PWRDBOIKHJHSEJ-UHFFFAOYSA-N 418.544 0.825 30 20 HCED Cc1cc(C(=O)OCC(=O)N(CC#N)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 738861759 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COc1cc2c(cc1OC)CN(C(=O)CCC(=O)OCC(=O)NCCC#N)CC2 767553059 RJAMOSKQQYXCEJ-UHFFFAOYSA-N 403.435 0.942 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc[nH]n1 772150697 FNVORNXHWRRIDR-MRXNPFEDSA-N 413.434 0.611 30 20 HCED COc1ccc(C#N)cc1COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 772245768 OJCAIPWMZSHULC-AWEZNQCLSA-N 405.432 0.776 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 777312942 DMUYUKMBQPRKNC-UONOGXRCSA-N 413.496 0.742 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 783014687 YTVCCGOQBPZSRR-MRXNPFEDSA-N 411.480 0.709 30 20 HCED CC1(C)OC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 783271266 MSDCPRWCGNKAGO-OAHLLOKOSA-N 408.480 0.726 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 785165815 WGGILQASBOKZMQ-UHFFFAOYSA-N 423.491 0.574 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 786897915 KSWNQYJPWARPJR-IAGOWNOFSA-N 406.527 0.916 30 20 HCED 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OCDJLRMGZRSJKV-MJRGOJFPSA-N 414.510 0.756 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1831391590 SFEIRNKQKLPODE-ZWCUEREDSA-N 416.474 0.215 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(O)CC3)C2)C1 1831438402 QDLBEMKOEACYJA-XFYJMZHFSA-N 410.511 0.585 30 20 HCED Cc1nnsc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831491144 XEOJAHPZNLNLSG-SUMWQHHRSA-N 414.553 0.871 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(F)c3)CCO2)C1 1831896232 LSRAYMSMYIMLLL-YWZLYKJASA-N 405.426 0.329 30 20 HCED C=CCCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)c(O)n1 1833696341 DSQSVHPGDDURMA-NRFANRHFSA-N 414.462 0.889 30 20 HCED Cc1nc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)S)CC3)CC2)c(=O)[nH]c1C 1833940354 XYEFVWFMSRKIQW-CQSZACIVSA-N 421.567 0.890 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)no1 1834346330 NQHRPCFYMYCABW-WHEDMDOKSA-N 416.434 0.765 30 20 HCED CCn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1834408549 KEWNWQVCNXMFFN-FQEVSTJZSA-N 412.450 0.487 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccn5cncc5c4)C3)C2)CC1 1835344383 BDLCAXNTZCTKRP-NRFANRHFSA-N 409.446 0.708 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835421313 KTHCSHOEKCJUQO-AVRDEDQJSA-N 424.538 0.833 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)CSC(=N)N)CCO3)C2)cc1 1835514523 NMPKDRPYKJYNHJ-IBGZPJMESA-N 417.491 0.255 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835845305 LNVKKSKNGQKDQF-LJQANCHMSA-N 406.527 0.123 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cn4cc(Cl)cn4)CCO3)C2)CCC1 1835976971 YWLWOOAOTBAXGF-LJQANCHMSA-N 421.885 0.687 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CC)[nH]n3)C2)C1 1837396905 KQZBNMMKJMECHR-UWJYYQICSA-N 420.510 0.615 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCC=CO2)CCO3)c1 1837415495 YZZUJURBMCCCPI-YLJYHZDGSA-N 400.435 0.649 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837486342 BKWZJYCSRZWSOK-AVRDEDQJSA-N 422.522 0.424 30 20 HCED Cn1ncnc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838906557 PPZYAWVYYCQHAL-FQEVSTJZSA-N 410.434 0.071 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1839226639 CMOKWNSKPUXRHS-DNVCBOLYSA-N 407.471 0.589 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839711506 XHMAQODMQJENTF-FXAWDEMLSA-N 403.483 0.489 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)C2)C1 1839811168 KMBZOYJRDUAZLD-REWPJTCUSA-N 411.502 0.741 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=S)NC)C2)C1 1839843356 ZCQBPIBFWQGBLF-HNAYVOBHSA-N 412.556 0.139 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1840168319 NFIZPCFHNKSVFF-NRFANRHFSA-N 411.462 0.603 30 20 HCED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2)C(=O)O 1842948749 GQWLMWLUVDCJKK-INIZCTEOSA-N 403.866 0.958 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](COC)NC(=O)OC(C)(C)C)C1 1843384024 UEOPKJRNZRLJMZ-CVEARBPZSA-N 423.510 0.768 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1845221154 FNBSYEQCIZLLQK-HOTGVXAUSA-N 423.510 0.504 30 20 HCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1845221964 CZMBYPOACOHMMY-CQSZACIVSA-N 406.483 0.769 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)c2cc(C)cc(C#N)c2)C1 1845522818 SZEOWWVIGJFMGP-INIZCTEOSA-N 400.435 0.748 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1 1847306700 VWRHKWCUSHACED-JLSDUUJJSA-N 418.519 0.630 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1 1847783323 DHDJCCKGZYLOOA-COXVUDFISA-N 404.492 0.701 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1ccnn1 1847940345 TZWLZTJVFHGPHZ-PMPSAXMXSA-N 418.498 0.949 30 20 HCED C=C(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCS(=O)(=O)CC1)C(F)(F)F 1848071649 FRVHEBAMUNZRMR-STQMWFEESA-N 409.430 0.037 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cccnc1C(N)=O 1848298895 KLQZSSKUYWVQOI-GJZGRUSLSA-N 400.435 0.505 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(C)=O)cc1 56139839 RWVCCGUCSUTKIS-INIZCTEOSA-N 400.522 0.729 30 20 HCED CCn1c(S)nnc1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 111140377 BAVQSIMPGMHITK-UHFFFAOYSA-N 408.509 0.751 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 410138676 SUFFAIKIMXETQG-SJORKVTESA-N 414.915 0.772 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C1=O 440248805 XLQRVVCLPUFFRB-QGZVFWFLSA-N 414.462 0.406 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 443527495 BSSPQFPRAWDGSR-UHFFFAOYSA-N 413.253 0.683 30 20 HCED CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)ccn1 444586891 SGZXVDLNKMKYJG-SFHVURJKSA-N 420.473 0.958 30 20 HCED CS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 461790515 YZTQDXTVSOBVPA-LBPRGKRZSA-N 419.438 0.857 30 20 HCED CC(C)[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)N1CCOCC1 464817869 IPUDFFGEOXVTAW-WMZOPIPTSA-N 401.515 0.925 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 465326824 PUSRFZPAYZLMJB-UHFFFAOYSA-N 423.477 0.126 30 20 HCED CC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465417926 RJKYAMYXFYBDBV-CQSZACIVSA-N 421.461 0.660 30 20 HCED Cc1oc(NC(=O)[C@H](C)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c(C#N)c1C 467293304 YZUCBMJDUQMSAT-LBPRGKRZSA-N 415.454 0.057 30 20 HCED CNC(=O)[C@@H](NC(=O)CN1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 472154626 CVBOMDZVJZFOFX-IBGZPJMESA-N 409.494 0.326 30 20 HCED CS(=O)(=O)C1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 474675401 JFVMKSJLHFISAH-INIZCTEOSA-N 404.492 0.926 30 20 HCED C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 475080419 LPQNDHXAXFYIEA-UHFFFAOYSA-N 422.507 0.790 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCCS(N)(=O)=O)ccc1OCC(F)(F)F 479318476 PCCLVGQWBJUMLI-UHFFFAOYSA-N 422.385 0.623 30 20 HCED CCOC(=O)c1c(NC(=O)c2cn([C@H]3CCOC3)nn2)c(C#N)cn1CCOC 485565884 UGIMCKUUPBUYNR-ZDUSSCGKSA-N 402.411 0.988 30 20 HCED N#Cc1ccc(Cn2cnc(NS(=O)(=O)c3cccc(S(N)(=O)=O)c3)n2)cc1 490340906 GYOQBICMEKRFRI-UHFFFAOYSA-N 418.460 0.646 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 506959429 BIMQLVRWVVTYKD-OLZOCXBDSA-N 421.479 0.610 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1(S(C)(=O)=O)CC1 508005832 NJBUOGNQCZGBMF-LLVKDONJSA-N 419.438 0.903 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)ccc1Br 508309499 RDLAWJMPLWJNHP-UHFFFAOYSA-N 421.211 0.454 30 20 HCED CC(=O)NCCN(C(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C 512495734 ZEABNEIOOABZFI-AWEZNQCLSA-N 416.478 0.983 30 20 HCED CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 518926591 GDMACWSTUNZHFV-SFHVURJKSA-N 408.462 0.525 30 20 HCED Cn1c(CCC(=O)NC2(C#N)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 524500450 PIIOBZSLPZRBCM-UHFFFAOYSA-N 417.491 0.699 30 20 HCED N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 524709612 QGVUKJHCHZMLIM-UHFFFAOYSA-N 410.471 0.947 30 20 HCED C=CCCOCCCCC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 538302290 ZNYMXSIJKLXCSP-UHFFFAOYSA-N 403.545 0.907 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1C 542004995 HREQLBPRTNTFQB-UHFFFAOYSA-N 415.471 0.028 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CCC(C)CC2)CC1 550739381 UWXFIHZEOLWGPH-UHFFFAOYSA-N 407.559 0.061 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 551599598 BGSQZMXWRAERMH-UHFFFAOYSA-N 413.478 0.769 30 20 HCED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 556138323 KWWNRULUSMPODC-SECBINFHSA-N 400.254 0.905 30 20 HCED N#CCCN(CCC#N)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 570316934 YWFGITHGNMNKJG-UHFFFAOYSA-N 404.448 0.758 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](C)S(=O)(=O)[C@H](C)C1 579294690 ULFUXZRPIITDGF-BETUJISGSA-N 409.464 0.556 30 20 HCED COCCC(C)(C)CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 581331395 PBGJPJZPTRIKCE-KRWDZBQOSA-N 400.479 0.954 30 20 HCED CC1CCN(CCNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 585716481 VHGCQNZKNRCVCN-UHFFFAOYSA-N 414.510 0.920 30 20 HCED COC(=O)c1cn(CCNS(=O)(=O)c2ccc(C#N)c(Br)c2)nn1 585740523 QSEIUOYOMAOEGI-UHFFFAOYSA-N 414.241 0.677 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C 585761263 MDSHZXQNWILGCK-HUUCEWRRSA-N 414.466 0.660 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)cc1 603481987 XCWVNWLCSZTRHE-OAHLLOKOSA-N 401.510 0.305 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccncc2)c1=O 603797401 YZIIVCBYFUVCNM-UHFFFAOYSA-N 400.504 0.761 30 20 HCED CCN(CCC#N)C(=O)CN1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 603852216 RNMGZZCERUDLGD-UHFFFAOYSA-N 421.523 0.747 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)c(F)c2)c1=O 609450426 WHKNCZKZVLJPSO-UHFFFAOYSA-N 401.463 0.809 30 20 HCED C[C@H]1C[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C(=O)N1c1cnn(C)c1 611024164 PDUNLJQVMYIZBK-GXFFZTMASA-N 404.408 0.672 30 20 HCED CC(C)(C#N)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 611619741 IHYRSODPSGNMKY-CYBMUJFWSA-N 414.509 0.823 30 20 HCED N#Cc1ccc(N2CCN([C@H]3CCOC3)CC2)nc1N1CCN([C@H]2CCOC2)CC1 618156480 MYWFJYDTPVJHLI-PMACEKPBSA-N 412.538 0.775 30 20 HCED O=C(CN1CCCCCCC1=O)NCC#CCNC(=O)CN1CCCCCCC1=O 681340202 BKYHPPDVFAXDIT-UHFFFAOYSA-N 418.538 0.808 30 20 HCED CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 727010299 UJOHXIQMZXACDB-WMZOPIPTSA-N 414.462 0.580 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nccn2C)cc1 728756010 CEPFDNPPODMZBR-JCMHNJIXSA-N 418.479 0.488 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c1 731127098 SWFLUZAJLFQWBI-UHFFFAOYSA-N 412.490 0.650 30 20 HCED N#C[C@H](C(=O)CCN1C(=O)CCc2ccccc21)C(=O)N1CCS(=O)(=O)CC1 739184001 RQOVVGBDXWEYPB-OAHLLOKOSA-N 403.460 0.322 30 20 HCED C#CCSCCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 740058581 CUBANTUEWBWXNJ-UHFFFAOYSA-N 410.565 0.788 30 20 HCED C=CCN(CC(=O)OCC)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 742607272 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C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c1 763713635 JSCXSSGACGOTIQ-RBUKOAKNSA-N 405.520 0.971 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)C1 766987449 ZUTANSLXTBFDSI-CYBMUJFWSA-N 415.493 0.433 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C1 770674653 JUCBCNJURNFMCE-MRXNPFEDSA-N 405.480 0.294 30 20 HCED Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC3(C#N)CCC3)C2=O)cc1 771079278 SQQRRIXYPVUIIU-GOSISDBHSA-N 418.475 0.902 30 20 HCED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OC)c(OC)c1 771888775 GNSDTBOYQPASAL-UHFFFAOYSA-N 410.452 0.194 30 20 HCED CCOC(=O)CON=C(C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1)c1cc[nH]n1 772489755 XMBITYMGTSQGCB-DOTOQJQBSA-N 420.514 0.178 30 20 HCED C#C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)[C@H]1CCCO1 773551159 ZIHMTACIAOBQER-JKSUJKDBSA-N 401.492 0.764 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)[C@H]1CCCO1 773795840 XAUHJJYTLPEUGN-QZTJIDSGSA-N 414.462 0.193 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)Nc1cnn(CC#N)c1 781979668 JEACLXJJDLLTNA-UHFFFAOYSA-N 402.436 0.185 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CO)C2CCOCC2)cc1C#N 782836218 QSYQWZGAJMFDPZ-INIZCTEOSA-N 404.423 0.969 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 783013275 LDAVJFCKONICAZ-INIZCTEOSA-N 408.524 0.788 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 783091002 RSBJGLBXOAWQMV-UHFFFAOYSA-N 401.467 0.682 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 783349914 FBQAIVBSWJCGAC-UHFFFAOYSA-N 421.450 0.691 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 783478041 ABPVIVHXDQENLE-KRWDZBQOSA-N 421.519 0.605 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2oc(C(=O)OC)cc2c1)[C@H]1CCS(=O)(=O)C1 783479608 LGBMIKMRJVODTD-AWEZNQCLSA-N 418.427 0.807 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(-c2ccccc2F)c1C)[C@H]1CCS(=O)(=O)C1 783479855 GLGZDSQLVQDETM-AWEZNQCLSA-N 418.450 0.907 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 783539853 TVPMYBRECGXFNL-UHFFFAOYSA-N 401.353 0.605 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)nc12 784876757 ZFADRVSYXWXWQT-HOTGVXAUSA-N 411.418 0.791 30 20 HCED C[C@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 787558995 KRGPLIKXSLJZBP-ZDUSSCGKSA-N 418.475 0.999 30 20 HCED C[C@@H](CN1CCOCC1)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 790132949 RYPGPNMEEJZHPN-HNNXBMFYSA-N 408.524 0.684 30 20 HCED CCOC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)NC(=O)N[C@@H]1C 796493890 ZDMSHHDNCQIEBC-CHWSQXEVSA-N 407.471 0.950 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1 799286365 HKKVVTWXFDMFNZ-QGZVFWFLSA-N 403.504 0.634 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 804825815 GYALJQXDFQCIMD-UHFFFAOYSA-N 415.493 0.152 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1)[C@@H]1CCCO1 809312410 NBTZBYMQUQCVKX-MSOLQXFVSA-N 420.554 0.226 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)[C@@H]1CCCO1 809314070 XWZXTYMXUAYTOM-ICSRJNTNSA-N 424.501 0.017 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 856311672 GANSMMRBVJMQHV-ZDUSSCGKSA-N 410.448 0.197 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOC 917769051 RMDYMSQXJWUVCM-UHFFFAOYSA-N 422.488 0.555 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCO)CC2)cc1 1203391846 KFWHUHHKGZJYTJ-CYBMUJFWSA-N 408.480 0.725 30 20 HCED C[C@H]1CCCN(C(=O)CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1263974925 JTWWGUXGCGHOLP-LSDHHAIUSA-N 406.508 0.990 30 20 HCED COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318158538 VIBUSMHNVCPLQT-TZMCWYRMSA-N 402.407 0.315 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3nc4n(c3=O)CCCCC4)C2=O)cc1 1326317280 CINHWSNVMOHUFD-KRWDZBQOSA-N 408.462 0.560 30 20 HCED CC[C@H](C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1496115524 JRTNKHFEWIKIQT-SOUVJXGZSA-N 413.548 0.347 30 20 HCED CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)c1=O 1515790483 ITVAYBOWBVTVTO-MRXNPFEDSA-N 413.482 0.826 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1539776188 WULSVLAQDLZZKS-JSGCOSHPSA-N 418.951 0.993 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c(=O)nc1O 1585292539 OGHQUDDASNQQLL-HNNXBMFYSA-N 407.430 0.479 30 20 HCED COc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc(OC)c1OC(F)F 1646148822 WNTZXEGMWONOHZ-UHFFFAOYSA-N 410.333 0.869 30 20 HCED COc1ccc([C@@H](CNC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)N2CCCCC2)cc1 1652907012 WSMAVMNXPLFVAZ-GOSISDBHSA-N 411.462 0.760 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c(=O)n1C 1652998001 JOABFKMJVXDPSV-HNNXBMFYSA-N 422.507 0.076 30 20 HCED COC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1671347214 VESLKMJKKZNMMV-UHFFFAOYSA-N 402.270 0.800 30 20 HCED CCn1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1683175447 ZXBGJYJCNWCAKI-UHFFFAOYSA-N 402.480 0.991 30 20 HCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CCO1 1690957817 LDSITNMGFAYXKM-GOSISDBHSA-N 421.465 0.450 30 20 HCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1710988793 LGLNADGYKAOBEA-HNNXBMFYSA-N 411.466 0.519 30 20 HCED CNC(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1767637001 TYTUOWWEHCXATL-IAGOWNOFSA-N 423.477 0.560 30 20 HCED CS(=O)(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1770360732 QCDNVHHADMRRRW-CYBMUJFWSA-N 415.479 0.704 30 20 HCED CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1771411112 KIGDXFPWVZQZFF-ZIAGYGMSSA-N 406.512 0.870 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778159039 QXOHXNPQCSZUEH-BEFAXECRSA-N 410.471 0.460 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc5cn[nH]c5cn4)C3)C2)c1 1778781575 UKJXLXQSPMXKDR-FQEVSTJZSA-N 405.418 0.915 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCc1cn[nH]c1)CCO2 1779016057 LHCZBFZGRXJFMK-BTVXTAIASA-N 402.499 0.644 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)Cn3cnnn3)CCO2)C1)c1ccccc1 1779183712 MYMBQIVSKUTPIC-DENIHFKCSA-N 422.489 0.700 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779218660 AJBAVKVEWPUQEL-IERDGZPVSA-N 408.462 0.930 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1779315222 CMOZJBFURDYWIZ-UGKGYDQZSA-N 413.474 0.019 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ccccn4n3)CCO2)C1 1781401268 XOMKNNDQFFVANG-MGPUTAFESA-N 414.466 0.974 30 20 HCED Cn1nncc1C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782192871 XDGUVULROIJTAV-HXUWFJFHSA-N 420.433 0.320 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C)CCO2 1783045885 DLPDOPHRCNLUNP-YWZLYKJASA-N 405.451 0.028 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@@H]5[C@H]6COC[C@H]65)C4)C3)c2c1 1784852573 ZJMPVVZCJWFFHX-QKZPVBNUSA-N 421.457 0.770 30 20 HCED CC#CC[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2C1)c1ccccc1 1787426133 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CC(C)=NO[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H]1CNC(=O)O1)CC2 1823074663 GAZMKMKKRSPCCS-NHCYSSNCSA-N 409.468 0.964 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1831216580 STZZMWSSZPDEDY-LJQANCHMSA-N 404.854 0.613 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)cc3)C2)C1 1831397070 OSVWBMIWXPUOGH-IERDGZPVSA-N 404.438 0.934 30 20 HCED COC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831628255 NXDYUORFUZXEJC-ODSDJFLOSA-N 410.515 0.197 30 20 HCED CC(C)[C@H](O)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1833345335 JGINBWJMHQJJNR-IBGZPJMESA-N 421.586 0.857 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833446775 OPSOHNZPQNJELH-YWZLYKJASA-N 406.483 0.711 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccns3)CCO2)C1 1833775292 NMTOZIDSDLCOGR-BEFAXECRSA-N 409.508 0.786 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834352595 DIWVARPLQTVYFM-QRWLVFNGSA-N 405.426 0.329 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)nc1 1834376421 JYYHCIHSBOPUBG-NRFANRHFSA-N 409.446 0.974 30 20 HCED COCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1834973746 LWNHHFFDDVPYBZ-LJQANCHMSA-N 407.854 0.928 30 20 HCED C[C@@H](C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)n1ccnn1 1835102879 OOWJQKMYBXPRJH-PGRDOPGGSA-N 423.473 0.347 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1835354412 TUJWPEMVXIHHFZ-GOSISDBHSA-N 408.842 0.814 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccnc3)CCO2)C1 1836158464 KWMQGBDDPYPEDD-AVRDEDQJSA-N 417.506 0.654 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cccn4)CCO3)C2)c1 1836169057 ZSIMJRCZPHOXGE-NRFANRHFSA-N 409.446 0.525 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3noc4c3CCCC4)CCO2)C1 1836429423 AGHAGGDKGRULAS-ORAYPTAESA-N 409.508 0.942 30 20 HCED C[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)CC(F)(F)C(=O)O)CC2)CC1 1836559913 MSRRXQQQZQXAGG-NSHDSACASA-N 407.483 0.986 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NC(C)=O)CC2)CC1 1836855924 LWHPGUZLGPCZKQ-INIZCTEOSA-N 421.538 0.938 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn(C)nc3C)C2)C1 1837393343 PLPIGDUEFLHVHP-UWJYYQICSA-N 420.510 0.372 30 20 HCED Cc1cnoc1C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445307 PAHHNUSJUXBOBA-BCVDLATCSA-N 419.482 0.525 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1837791775 HLZUOXBGLFMZOX-KRWDZBQOSA-N 402.495 0.910 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837832677 FARWGBDCNJVIQV-IFXJQAMLSA-N 424.885 0.791 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1839224047 MPHCLHKGPVJPAF-QRWLVFNGSA-N 420.466 0.658 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)CN(CC)CC)CCO2)C1 1839674690 GPURFENZFHDLTA-JQVVWYNYSA-N 423.554 0.459 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(CCOC)n3)C2)C1 1839841641 VAADYBBERMLBAI-UWJYYQICSA-N 420.510 0.812 30 20 HCED 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O=C(NCC(=O)N1CCCC12CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccco1 1843078139 DDYDZUNVFPGQJS-UHFFFAOYSA-N 413.474 0.911 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 7633906 MIXWSROJYHJKMF-SUNKGSAMSA-N 404.872 0.602 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 15104658 ULSGUKSDKNGNST-UHFFFAOYSA-N 409.512 0.940 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)c1 30772582 JFHIFIKLKGBDIT-UHFFFAOYSA-N 417.477 0.956 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 108927584 TWIYBQXKJWCECL-UHFFFAOYSA-N 408.484 0.094 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(OCCN2C[C@@H](C)O[C@H](C)C2)CC1 409482227 DKFQVVHTYCLCAY-BRWVUGGUSA-N 402.561 0.913 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 409543507 HUWFLQZHKGLNHX-HNNXBMFYSA-N 400.526 0.638 30 20 HCED CCN1CCN(c2ccc(CNS(=O)(=O)N(CCC#N)CCOC)cn2)CC1 409571481 WFODCNSHRLOXOZ-UHFFFAOYSA-N 410.544 0.420 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 410126512 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409.450 0.606 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)n1 442088096 KSQCNKQOLPGTOP-WFASDCNBSA-N 412.425 1.372 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(-c3ncccn3)noc2=O)CC1 444410457 IVRJWYVJJHROCF-MRXNPFEDSA-N 423.408 0.841 30 20 HCED Cn1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c(C(F)(F)F)n1 446447760 DOBTYGLQOUFEKC-UHFFFAOYSA-N 407.356 0.993 30 20 HCED CN1CCC2(CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)C1=O 447411579 BMARKMGVOPJEKN-UHFFFAOYSA-N 424.436 1.292 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 462700164 LQFVBDSNXQXQRM-HNNXBMFYSA-N 410.517 0.886 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cn2c(n1)SCC2 466338222 ULHOYVJQUBQWPW-LBPRGKRZSA-N 405.505 0.886 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472214675 VJWOHGRESMVSKA-UHFFFAOYSA-N 410.481 0.354 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2noc(C)c2C#N)C1 473283927 SAHXDRPYYYWZND-CYBMUJFWSA-N 400.439 0.903 30 20 HCED Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)nn1 476971104 IVERBVDPBZJGIG-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2nncn2C)CC1 480188288 FXCFUWKZQNVZDL-ZDUSSCGKSA-N 402.480 0.760 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(OCCN(C)C)CC1 482174714 IRVQMYLSNAEZHF-HNNXBMFYSA-N 408.524 0.794 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(CCC#N)CCCN(C)C)[C@@H](C)O)cc1 499671151 SMVWBJXHBCUWBB-AEFFLSMTSA-N 410.540 0.717 30 20 HCED CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C)c1=O 500547389 YFOKHSAXEUAMMH-UHFFFAOYSA-N 414.443 0.535 30 20 HCED CCN1CC[C@H]2OCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 502665516 UADHGJSPHFRALI-ZWKOTPCHSA-N 406.508 0.500 30 20 HCED C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)Cc1cc(F)cc(F)c1 507428102 JGBKKFPGADWANY-UHFFFAOYSA-N 423.420 0.790 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2OC)c1=O 514489912 BLTUFTKPGUICAO-AWEZNQCLSA-N 413.499 0.759 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1 516691729 VIMMTQQTWIFWMO-INIZCTEOSA-N 406.508 0.454 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 527030615 UJAHHZQNAQUBLF-UHFFFAOYSA-N 420.441 0.362 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 527338293 ZFYILMQVIJFOTR-UHFFFAOYSA-N 409.450 0.785 30 20 HCED C=CCN(Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 533524229 LATTWBJHBIDCAT-CQSZACIVSA-N 411.509 0.241 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CCNC3=O)nnc12 534110162 VAWMDQWZCYNTKH-AWEZNQCLSA-N 412.475 0.669 30 20 HCED CCn1c(SCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nnc1N1CCOCC1 539271856 DGMQIFFNGLOGCT-INIZCTEOSA-N 421.571 0.919 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 539524104 VZOBDXXTKBCYHI-UHFFFAOYSA-N 420.495 0.181 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 540746034 NMDHSACSTJOEKC-UHFFFAOYSA-N 408.480 0.218 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccc(C#N)cc1 556038860 QSRUFWDAJFJEIR-DLBZAZTESA-N 411.506 0.891 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)C2=O)cc1 558057752 RUJCOVHAEKFYDB-XEZGLNCPSA-N 408.458 0.003 30 20 HCED CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1 559220354 CQEJEZGSOFWSOP-MRXNPFEDSA-N 416.507 0.935 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCC)C23CCCCC3)CC1 563961928 AALNXYMUNDIZOJ-QZTJIDSGSA-N 420.554 0.677 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)C2=O)cc1 565795891 SQSRUQFMHSYBQH-WOJBJXKFSA-N 423.517 0.862 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)CCN1Cc1ccccc1 568317940 PWWJPEGVLKRFKL-JQVVWYNYSA-N 412.490 0.677 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnnn1-c1ccccc1 572052544 FNOLLOUIFXMGPB-CYBMUJFWSA-N 411.447 0.690 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 577019682 CXCPQFOJDBLDLT-OAHLLOKOSA-N 400.526 0.806 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCO3)c1=O 603986021 IOHAPBJRTMSOTR-UHFFFAOYSA-N 409.467 0.950 30 20 HCED COc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1C(=O)N(C)C 609674762 OMWGEJKYCCRSSD-UHFFFAOYSA-N 424.523 0.634 30 20 HCED Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617168466 KYGAPHBHWZMZLW-OAHLLOKOSA-N 416.459 0.946 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NC2CCN(CC#N)CC2)CC1 730583248 LPTSGUZYQRNHAT-UHFFFAOYSA-N 408.503 0.353 30 20 HCED Cn1c(S)nnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 731226728 MERAUYBXAKKDGL-UHFFFAOYSA-N 420.520 0.693 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)NCC)cc1 731753707 QWHKYJYMFJQUSD-UHFFFAOYSA-N 404.514 0.554 30 20 HCED CCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)CS(C)(=O)=O 732976618 USWNBRUTGLLGIL-LBPRGKRZSA-N 401.510 0.397 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)CC1 733149942 ZHSHMKWLGOIDMU-JLAWEPINSA-N 402.539 0.697 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 734433577 CABZKPIWDAWZBH-XLIONFOSSA-N 416.909 0.753 30 20 HCED COCCNS(=O)(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1 742392992 BEBHGGLEMWEHBE-UHFFFAOYSA-N 424.504 0.742 30 20 HCED CCn1c(S)nnc1CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742652252 BAFZWMNRZOVTMM-LLVKDONJSA-N 422.536 0.763 30 20 HCED COC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 742792758 XXSYHOLFTPYAQE-KRWDZBQOSA-N 416.459 0.931 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)N(C)CC 744243971 ZCHNTDFCKAOYHJ-ZDUSSCGKSA-N 416.525 0.597 30 20 HCED CCCCCn1nc(C)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 748981335 LFSOQDMJIFQQJS-WUKNDPDISA-N 402.455 0.963 30 20 HCED C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 752849188 SXNLUJQDDZJKEJ-IAGOWNOFSA-N 407.540 0.505 30 20 HCED CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753361074 YGJIXXQAULBXTH-UHFFFAOYSA-N 402.476 0.462 30 20 HCED COc1cc(C(=O)OCC(=O)N(CCC#N)CCC#N)sc1S(N)(=O)=O 754165017 AWCMPPKZISDJEK-UHFFFAOYSA-N 400.438 0.217 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 755258376 PTUDEJOOOWYMCC-ILRDRHFLSA-N 406.442 0.713 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c1OC 755325257 FXENGMSYKUUKKU-SMDDNHRTSA-N 407.452 0.485 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2sccc2C)c1=O 758056526 WJRYUJJJVMNMOV-UHFFFAOYSA-N 401.513 0.569 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758069686 RLGJGLOWXZWSSP-UHFFFAOYSA-N 407.451 0.135 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3nc(COC)nn3C2)c1 758201601 MNWQDUSXIGGYSI-AWEZNQCLSA-N 403.464 0.081 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 761031738 BGRYDUPZDVMIIL-AWEZNQCLSA-N 422.334 0.818 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C)cn2)c1=O 761837603 ZJTJIEDIZHLROS-UHFFFAOYSA-N 400.504 0.535 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1 769584832 WUEQJILKTYOMMI-CQSZACIVSA-N 414.509 0.162 30 20 HCED CC(C)N1CCC(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 771548511 WUCAGJGWWFPVJQ-FMQUCBEESA-N 418.542 0.713 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(N2CCCCC2=O)CC1)c1cc[nH]n1 772380423 CBTISCSASYEREC-UHFFFAOYSA-N 405.455 0.697 30 20 HCED C#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCO1 775330904 WXVFQMQSSBLZMD-CVEARBPZSA-N 408.476 0.813 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O 778963980 KJIIWADIHRPUGF-STQMWFEESA-N 408.455 0.725 30 20 HCED C[C@H](O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 780231493 ARXIIYSGTLATBP-NINDBSIVSA-N 422.507 0.667 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 783616566 KJYPNKVKQIRREF-UHFFFAOYSA-N 409.508 0.658 30 20 HCED N#Cc1cc(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c[nH]1 786906257 HTDQHRMBYIIDBS-UHFFFAOYSA-N 420.422 0.715 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2OC)c1 793837493 WAHLEIBFRVHZPO-UHFFFAOYSA-N 423.472 0.506 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2CC(NS(C)(=O)=O)C2)C1 802291678 BFCMJGVJCRAPBI-YWPUVAFDSA-N 401.489 0.125 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)n1 803552309 ZWRRJZZQBQXTJY-UHFFFAOYSA-N 424.870 0.254 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 803753089 WIRGHSXMUDHHOM-UXHICEINSA-N 414.506 0.230 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NCc3cccc(C#N)c3)c2C1 803836726 JCWBJRGMRCGVMC-QGZVFWFLSA-N 409.446 0.926 30 20 HCED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 804939016 GZVAJPZYPMLKMS-UHFFFAOYSA-N 414.534 0.741 30 20 HCED COC(=O)c1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)on1 814834208 TXACLSQTDMUGHT-UHFFFAOYSA-N 407.452 0.843 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 916869354 XFGFCDSXJSPKAT-ZDUSSCGKSA-N 404.379 0.572 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 916889460 SNFDRYUDCBDGFL-OAHLLOKOSA-N 409.464 0.101 30 20 HCED COC(=O)[C@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2O1 918269115 KILOINRCYJFYTQ-MRXNPFEDSA-N 409.402 0.449 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1CC(=O)N(C)C 918730288 XGNUWJATGBBTAT-UHFFFAOYSA-N 416.528 0.173 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)cc1 920000752 GYQXSXICTAWBNN-WBVHZDCISA-N 421.519 0.601 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nnc(O)nc1O 996862762 JXKOFGCCYLYOAV-MCZMQQNQSA-N 403.439 0.516 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H](O)CN2CCCC2=O)c1 1116357318 QNPPOLNETYOXQL-LBPRGKRZSA-N 402.270 0.582 30 20 HCED CNCCCc1[nH]nc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)c1C#N 1116398926 KJKIDEVNSKURCA-UHFFFAOYSA-N 408.470 0.726 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286627543 ILKLQWAKMGSQLO-OAHLLOKOSA-N 421.933 0.726 30 20 HCED COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnnn2C)cc1 1300127689 XFAAFCAZAONPDK-SFHVURJKSA-N 408.466 0.977 30 20 HCED N#CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1303000786 JZUJELQLRXILDE-IBGZPJMESA-N 416.507 0.553 30 20 HCED CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1313481337 QCXUJLUYLFDYHN-WBVHZDCISA-N 401.515 0.875 30 20 HCED Cc1nnc(N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)c(C(N)=O)c1C 1318478332 JOJMKBWBQXDDRZ-UHFFFAOYSA-N 408.462 0.986 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(CC)CCC#N 1322645532 RROQUQKXQGCOFX-AWEZNQCLSA-N 418.516 0.951 30 20 HCED Cc1nc(Cn2cc(C(=O)[C@H](C#N)C(=O)NCc3ccc(F)c(F)c3)nn2)no1 1343341704 GGCGBDMNYWIRSI-NSHDSACASA-N 401.333 0.935 30 20 HCED Cc1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)on1 1493145974 WJDAWGTZHQIRQI-IUODEOHRSA-N 423.499 0.552 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCNS(C)(=O)=O)C1 1510293618 STCIZFMCQDQZKE-SFHVURJKSA-N 403.512 0.943 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCn1cncn1 1541925972 KUBPUVRGLYYZKZ-ZDUSSCGKSA-N 407.504 0.310 30 20 HCED N#Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1587233716 KDUCHSOJJPCVRE-UHFFFAOYSA-N 412.471 0.651 30 20 HCED CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1610295632 YHHNRPWTTRDEMX-MRXNPFEDSA-N 410.479 0.448 30 20 HCED CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1634188482 VVWRCLGOOURVIT-GDBMZVCRSA-N 407.496 0.681 30 20 HCED C[C@H](CC(=O)N1CC[C@@H](N2CCOC2=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1640924831 VYRCEOZOAIIKRN-CHWSQXEVSA-N 406.464 0.557 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](n1cncn1)C(F)(F)F 1642669770 ONAHDGQIJDHHRW-ZWNOBZJWSA-N 416.385 0.736 30 20 HCED CC(C)NC(=O)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1706641825 SVOKRVNZSSSDOG-UHFFFAOYSA-N 423.481 0.866 30 20 HCED N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCn2cc(CO)nn2)CCO1 1712886521 VUNLVLXVQOWHFE-QGZVFWFLSA-N 400.487 0.914 30 20 HCED C[C@@](O)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1723974411 STZGKJIBWFZPTN-IFXJQAMLSA-N 400.439 0.630 30 20 HCED CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1743785081 YJPONSYEUZIUTC-DZGCQCFKSA-N 423.499 0.628 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)CCOC1 1765922178 IVDFWBYDMGBZSZ-QRWLVFNGSA-N 418.498 0.705 30 20 HCED CN1CCN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1767526289 KVIORJXHNPMMFK-FOIQADDNSA-N 418.521 0.697 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)c3cc4n(n3)CCCNC4=O)C2)C1 1778382316 HTJMORDNNZWORJ-OAQYLSRUSA-N 413.478 0.264 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1779017057 ZGEZSZMFQQAHTR-BCVDLATCSA-N 402.451 0.555 30 20 HCED CN[C@H](CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1)C(=O)O 1780177993 QCPWBRPSRJWMDH-JXXFODFXSA-N 417.466 0.077 30 20 HCED CC(=O)Nc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1780333922 ANWXGVZUZXVAGW-OAQYLSRUSA-N 422.445 0.997 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1780338426 XEPCSTBWQURFPF-NRFANRHFSA-N 410.478 0.923 30 20 HCED Cc1c(Br)c(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)nn1C 1780366022 BUVXXJXGJUEGJA-INIZCTEOSA-N 410.272 0.848 30 20 HCED 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ZJIBHEZLQCLHHB-INIZCTEOSA-N 423.579 0.652 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccn(C)n3)CCO2)C1 1834249201 QSDYUWJBKUZNDV-KXBFYZLASA-N 407.471 0.291 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834352733 LSTCLSLENGOMRZ-QRWLVFNGSA-N 407.442 0.882 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2 1834441230 SVRCLXSVEOMRKJ-HXUWFJFHSA-N 406.483 0.473 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CN1CCCCC1)CCO2 1835375165 FHKAFZPWVIUYLV-FQEVSTJZSA-N 411.568 0.848 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4ccc(F)cn4)CCO3)C2)CCC1 1836036785 GCEMUUSJGFOFOW-NRFANRHFSA-N 416.453 0.913 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3=C(C)OCC3)CCO2)C1 1836273244 DPONOLTXMDPQNO-OXQOHEQNSA-N 409.483 0.938 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CNC(C)(C)C)C2)C1 1837397151 NGLWNMXUDJZMJJ-IERDGZPVSA-N 411.543 0.404 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)n(CC)n3)CCO2)C1 1838146993 JHMKPZWKKLLEIV-LAUBAEHRSA-N 420.510 0.873 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3[C@H]4C=CS[C@@H]43)CC2)CC1 1838729478 KPPDVNYYZSLKOS-LZQZEXGQSA-N 404.488 0.948 30 20 HCED COc1ccnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)c1OC 1838840399 MFNKKMLGKAHHAF-LJQANCHMSA-N 404.423 0.082 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc(O)[nH]4)C3)C2)cc1 1838951702 BQSRBGCEHGMREV-HXUWFJFHSA-N 411.418 0.371 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3nn[nH]c3c1)CCO2 1839630815 VCEMEKUPZSYJKH-NRFANRHFSA-N 411.462 0.831 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCSCC3)C2)C1 1839838802 SMEZLXGBEPUELR-YLJYHZDGSA-N 411.568 0.704 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1840161742 YVLMGTHYFHXFGL-QWQRMKEZSA-N 409.512 0.052 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]nc4ncccc34)C2)C1 1840167798 NTWGBFFPSULOMG-NRFANRHFSA-N 411.462 0.831 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)c1 1840402618 HPEGKUBLNNTTQP-DYESRHJHSA-N 400.479 0.622 30 20 HCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)C[C@H]2NC(=O)NC2=O)C3)cc1 1841005115 RPWROUYTIJBFHO-MRXNPFEDSA-N 409.446 0.292 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1845229842 WJTKPTTYKBRVFL-CQSZACIVSA-N 406.483 0.769 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)c1 31805602 XBWGOPLNQRCYGW-UHFFFAOYSA-N 414.399 0.948 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 49623382 PWOFZNRYFCTVGF-HNNXBMFYSA-N 418.519 0.284 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 409489187 YAQUPVFLFIOVPW-CYBMUJFWSA-N 404.514 0.753 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 409587988 DEQFKJNCCGKMGP-GOSISDBHSA-N 409.556 0.894 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 410153411 YUZJZMOHBJFHOB-KSSFIOAISA-N 422.507 0.743 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C(N)=O)n1 440958066 WHRKLMJQECTGPY-KGLIPLIRSA-N 414.853 1.496 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1C(F)(F)F 441626808 YZYHFMKOKDOGSH-UHFFFAOYSA-N 423.395 0.938 30 20 HCED COCCCNC(=O)Cc1noc(-c2ccc(S(=O)(=O)NCCC#N)cc2)n1 445373653 IOMRGTXHYABIOK-UHFFFAOYSA-N 407.452 0.624 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCN(C)CC1 460616908 YBHYFVJFKZDIDL-GOSISDBHSA-N 424.509 0.466 30 20 HCED CCc1nn(C)c(CC)c1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460682631 BLXMCPCYDJNDAD-UHFFFAOYSA-N 420.477 1.561 30 20 HCED N#CCN1CCC(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 464974586 RXHSFALCFVKSBV-HNNXBMFYSA-N 419.507 0.039 30 20 HCED COC(=O)CN(CC#N)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 485080873 YAYZORYXNJWJLU-UHFFFAOYSA-N 408.480 0.215 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486653768 SNQDYSOWLAJNMJ-CYBMUJFWSA-N 420.472 0.881 30 20 HCED CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)cn1 488623197 CTAZSEACOIYQHF-YRVHBCJASA-N 411.487 0.996 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(OCCN(C)C)c2)CC1 491151904 XTSFIIWEYABFCZ-UHFFFAOYSA-N 417.510 0.012 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(C)c2-c2ccccc2)CC1 498998701 XMLMVNLGKCBWKN-UHFFFAOYSA-N 410.478 0.472 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N(CCC#N)CCN2CCOCC2)ccc1OC 499336394 WFYGRSYGXIKEDD-UHFFFAOYSA-N 410.496 0.291 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2)c1=O 505695750 WZHVUNRMNMGPSC-UHFFFAOYSA-N 407.499 0.969 30 20 HCED C[C@@]1(C[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)NC(=O)NC1=O 510484394 FYDBCDZRLVDRCZ-QFYYESIMSA-N 407.408 0.608 30 20 HCED CS(=O)(=O)CC1(CNC(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 514015842 PGLDGEQTOHTEAK-ORAYPTAESA-N 402.476 0.866 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)ccc1Cl 518072443 MIHWMYYMPNOFLW-UHFFFAOYSA-N 412.837 0.993 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1 520121236 DQRJCJXKEVRHBG-OAHLLOKOSA-N 405.480 0.508 30 20 HCED CC(C)(C(=O)NCC(=O)NCC#N)S(=O)(=O)c1ccc(Br)cc1 521655186 QZYNKKBNOFAXBE-UHFFFAOYSA-N 402.270 0.757 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cscn2)c1=O 523732872 TYVRHWQYXHNDKX-UHFFFAOYSA-N 418.544 0.965 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 524638471 PFAYEGQCWKGSST-UHFFFAOYSA-N 409.493 0.423 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(I)cn2)C1=O 525564594 KEMULVDLAIKDJM-UHFFFAOYSA-N 414.159 0.602 30 20 HCED C=C1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 533417597 BVCIPGLHBOBGNV-UHFFFAOYSA-N 421.519 0.943 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 538178975 CFXGANXGKPRZHH-UHFFFAOYSA-N 409.450 0.710 30 20 HCED C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549283242 ZBODFBSOYPPLCJ-KRWDZBQOSA-N 424.505 0.795 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3cn4ccccc4n3)C2=O)cc1 555714653 RKUZBRQEQVUIKJ-GOSISDBHSA-N 416.441 0.739 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 557595712 MJWXMNUBVZQRPE-UHFFFAOYSA-N 401.423 0.985 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](C(CC)CC)N2CCOCC2)C1=O 559592271 KYVWWMQPBGNLEJ-QZTJIDSGSA-N 408.543 0.485 30 20 HCED CNS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1 564381472 SYLLZYVKOUARLP-UHFFFAOYSA-N 414.553 0.986 30 20 HCED N#Cc1ncn(CCNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 569637518 CVMURLRZICEGBT-UHFFFAOYSA-N 403.468 0.434 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCOc1ccc(C#N)cc1 570121997 SJSLZYDXLVVTMC-MRXNPFEDSA-N 409.512 0.897 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)o2)n1 572863416 IRESEGBTPRSDOV-UHFFFAOYSA-N 412.793 1.344 30 20 HCED CN(CCCN(C)S(=O)(=O)c1ccc(C#N)o1)S(=O)(=O)c1ccc(C#N)o1 580177644 GCSGBWGUCCQYHR-UHFFFAOYSA-N 412.449 0.947 30 20 HCED N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cccnc3[N+](=O)[O-])C2=O)cc1 582157297 LJMYMNJHPAOCCD-AWEZNQCLSA-N 401.404 0.941 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)n1 582696284 FTHMYSHVDJDCHP-UHFFFAOYSA-N 417.433 0.606 30 20 HCED COc1ccnc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1 584321775 LORUMWYTKGKFSI-UHFFFAOYSA-N 415.475 0.589 30 20 HCED CCOC(=O)C1CCC(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC1 585772889 QXJQABNAAOBAJM-UHFFFAOYSA-N 404.471 0.493 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)n1 588745373 QRLRRYLNMYVPIW-NSHDSACASA-N 400.826 1.060 30 20 HCED Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609163741 PNRHURRTFZCMHB-UHFFFAOYSA-N 407.434 0.959 30 20 HCED COC(=O)CN(CC#N)C(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 609992423 TZJOKLUCDIMSTG-UHFFFAOYSA-N 409.464 0.815 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(C)C)C1=O 726404089 RMKNPJDADNGWBY-SHUBJWRZSA-N 412.537 0.926 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnc3ccccc23)c1=O 731352111 FFVWCPOEARUQTJ-UHFFFAOYSA-N 420.494 0.886 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3CN3CCCC3=O)CC2)o1 732210366 HBQJVGAGBSNHGE-QGZVFWFLSA-N 414.510 0.980 30 20 HCED Cc1nnc(S)n1CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743501248 HIIZEEIZFREJMA-SNVBAGLBSA-N 408.509 0.509 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NS(=O)(=O)CCCF 747131590 UAXOLXZWYZLNMK-CYBMUJFWSA-N 419.500 0.945 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)CC1 747278303 ORPGHBZJDFSWRN-UHFFFAOYSA-N 406.508 0.115 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)cc1C#N 747495211 KCAAVYAMYCXSNV-UHFFFAOYSA-N 412.402 0.694 30 20 HCED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(S(N)(=O)=O)c1 747643139 XLFMULBZHQTZMB-NSHDSACASA-N 422.488 0.250 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)c1 750420046 VJTUYSRRUIBHCP-QGZVFWFLSA-N 411.443 0.624 30 20 HCED CCOC(=O)C1=C(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)NC(=O)N[C@H]1C 750822240 LBTGKJNTEPHRMX-PRWKNARSSA-N 411.418 0.844 30 20 HCED COc1cc(C(=O)OCC(=O)NC2(C#N)CCCCC2)sc1S(N)(=O)=O 754169399 CZWIPNXNBOTREV-UHFFFAOYSA-N 401.466 0.904 30 20 HCED CC(=O)N1CCCC[C@H]1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 756224788 ISKGAEZEBDAVHN-INIZCTEOSA-N 403.439 0.448 30 20 HCED COc1ccc([C@@H](CCO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 762278636 LWOGDLHGANQIGC-MRXNPFEDSA-N 403.460 0.974 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cc1C#N 764690355 YYEWFLZYIDIKSC-LBPRGKRZSA-N 422.463 0.958 30 20 HCED N#C[C@H](C(=O)c1ccn(-c2ccc(F)cc2F)n1)C(=O)N1CCS(=O)(=O)CC1 766872579 IXMFEEJVVVTQDP-GFCCVEGCSA-N 408.386 0.730 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(=O)O)C1 767156294 XWXOLPOTHUGTKM-KBPBESRZSA-N 409.464 0.452 30 20 HCED C=CCOc1cccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1 768249397 FMNLTGJLPSGUHH-GOSISDBHSA-N 414.549 0.886 30 20 HCED COC[C@](C)(C#N)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 771579713 SVUIXTCRDPPKOE-ACJLOTCBSA-N 407.448 0.669 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3n[nH]c4c3CCCC4)CC2)o1 777085520 HSNAHGDJBMXVBL-UHFFFAOYSA-N 412.450 0.891 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)C1=O 779248196 JEGFHFMTRWCOMU-UHFFFAOYSA-N 407.373 0.752 30 20 HCED CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784381015 XVMQAVIABSHVBP-QNGOZBTKSA-N 423.495 0.032 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCS(C)(=O)=O)C(C)C 785042713 TWQIAAXKBOMGNR-UHFFFAOYSA-N 418.479 0.668 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 787791011 QLLRIOLAMMQMGK-QGZVFWFLSA-N 421.461 0.184 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC(=O)N(CCOC)C2)cc1C#N 802617681 WETHMHYMPOSPBR-UHFFFAOYSA-N 403.395 0.340 30 20 HCED C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 807338571 KFHKXBORCVYPNY-KRWDZBQOSA-N 405.458 0.707 30 20 HCED C#CC[C@@]1(C(=O)OCc2cc(=O)n(C)c(=O)n2C)CCCN1C(=O)OC(C)(C)C 808596798 GHTNETGTFOVHFB-FQEVSTJZSA-N 405.451 0.920 30 20 HCED CC1(C)OCC(CO)(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CO1 812837349 DUDBLFONJVXCRZ-OAHLLOKOSA-N 408.524 0.561 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H]2CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC[C@H]21 813750105 OZGKKOKHJXWTCK-QLFBSQMISA-N 400.501 0.787 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nnc(O)o2)C1 816498634 CURRHZSTUSYQRQ-NSHDSACASA-N 405.436 0.610 30 20 HCED CCCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 916878238 RJQUBSKLEMGANZ-MRXNPFEDSA-N 420.491 0.436 30 20 HCED COCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 917688966 YFHXLROMFVLEEH-GICLCMKGSA-N 422.507 0.933 30 20 HCED C#Cc1ccc(C(=O)N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nc1 990915242 ZOENTEASNHEICR-POZBKUHFSA-N 418.457 0.260 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CN3CCN2CC3)cc1Br 1188426979 LAUBVEDNTAUSDO-LLVKDONJSA-N 403.277 0.738 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297699148 BULYKTVIZBLXJE-QGZVFWFLSA-N 415.523 0.951 30 20 HCED COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)c1 1300395373 MHAXBEAEFWEFAR-INIZCTEOSA-N 420.495 0.574 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1314531440 PDRDKQFBHKLAQO-LJQANCHMSA-N 416.507 0.953 30 20 HCED C=CCN(C(=O)Cc1c(C)nc(-c2ncccn2)nc1O)[C@@H]1CCS(=O)(=O)C1 1322531003 MSUJEFDMPJOEFT-CYBMUJFWSA-N 403.464 0.692 30 20 HCED CC(=O)N[C@@](C)(C(=O)NCC1CCN(CC#N)CC1)c1ccc(S(C)(=O)=O)cc1 1326931999 WYLZNXFMTJHXGG-HXUWFJFHSA-N 420.535 0.793 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@]1(OC)CCOC1 1499141526 PAMPNVGQJFDJPB-FQEVSTJZSA-N 414.514 0.886 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1555557362 RGHLGNYPKILECA-INIZCTEOSA-N 417.514 0.998 30 20 HCED Cn1cc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cn1 1618408183 IWMJGPVIJLSCKT-JKSUJKDBSA-N 419.511 0.275 30 20 HCED COc1cc(OC)c(C[C@@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)c(OC)c1 1640937781 NNFIIDSSJHXAPR-GFCCVEGCSA-N 416.434 0.984 30 20 HCED CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CC[C@](O)(CC#N)C1 1655797849 NQMGHYVZYPIVMJ-QGZVFWFLSA-N 402.517 0.913 30 20 HCED Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCNS(C)(=O)=O 1707904978 RIIPFSNBIIHLSF-UHFFFAOYSA-N 403.512 0.724 30 20 HCED 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0.498 30 20 HCED Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1795979989 KVQBGMXQXNTEPE-FVCICTRLSA-N 420.433 0.378 30 20 HCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1796422437 NAWHPXIFUHUADP-DJIJKHNZSA-N 406.508 0.345 30 20 HCED CCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C#CC1(O)CCCCC1 1798467462 MNXDHNVSVZRYAL-BJWYYQGGSA-N 410.536 0.758 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(N2CCN(C)CC2)CC1 1799190527 GBRNFFGYABMJJU-XMTFNYHQSA-N 424.611 0.310 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1800545730 KFGHKJMFJVOEMS-WCXIOVBPSA-N 414.497 0.423 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)CCSC 1801029423 WSMLYYWHUZZGAW-YIDVYQOGSA-N 400.541 0.263 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncn1)C2 1801992461 LRCPZMBTLKNKHJ-CWPLJXCYSA-N 407.430 0.630 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)[C@H](O)C(C)C)[C@@H]1c1cccnc1 1802475610 HRQJJPGOLURMSR-RZONBPTLSA-N 414.506 0.963 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@@H](CNC(=O)[C@@H](N)CN)[C@H]2c2cccnc2)ccc1F 1808268087 OCXQDXPGBAOVLH-NBHGPNQESA-N 424.480 0.627 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814557293 AENINBYUBLYWNP-KGLIPLIRSA-N 406.508 0.426 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815666348 JXGCQRRLPMGTOC-RISCZKNCSA-N 404.496 0.920 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CNC(=N)N)n[nH]1 1817256127 WBOWAKDHJIOPKC-HNNXBMFYSA-N 424.465 0.836 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)[C@@H](C)n2cnnn2)n[nH]1 1822849958 APANGDJRYMCNCH-UMVBOHGHSA-N 400.443 0.688 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@H]1C1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 1823749422 OCNMZYXUWGGCGV-DFOOCIKTSA-N 416.522 0.601 30 20 HCED O=C1C[C@H](C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C/N=C/c2ccco2)CC3)CN1 1825200084 YRQMXEMVYKDEFZ-KBIVGPKTSA-N 415.475 0.903 30 20 HCED COc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n(C)n1 1825664257 SFYXFMBUVQRMFT-VIFPVBQESA-N 403.420 0.199 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825671872 SEHSTGHYYCSHQE-JTQLQIEISA-N 422.463 0.668 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1829778279 QQWNFKHSWIGTKX-FQEVSTJZSA-N 405.499 0.878 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1831433069 FRWPGZDVXCBDMU-YWZLYKJASA-N 405.451 0.448 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1831499922 YQKMGQQGFWWHFF-PKOBYXMFSA-N 424.523 0.266 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1831512165 MFBPJFOCQLYSGJ-JVLSYQRKSA-N 424.542 0.322 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cccc(N(C)C)c1)CCO2 1832531062 OXPHBAYKQPYESP-NRFANRHFSA-N 401.463 0.221 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)/C=C(\C)NC(C)=O)CC2)CC1 1833467125 YQPLONIZQNFXQW-IWLLYFRBSA-N 418.538 0.636 30 20 HCED 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CCOCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580800 UAYFFEORIATVII-OAQYLSRUSA-N 417.462 0.673 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cn[nH]c4)C3)C2)c1 1838732438 RIPBYIKLHUBYNC-FQEVSTJZSA-N 412.450 0.312 30 20 HCED Cn1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)cn1 1838906519 NQWZEDYMYMYSQP-NRFANRHFSA-N 409.446 0.676 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CC3(F)F)C2)C1 1839173586 AHOPHQNQOVLHQH-KSSFIOAISA-N 416.421 0.607 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC=CO3)C2)C1 1839175257 YDLBRGOHTGURMX-LAUBAEHRSA-N 422.478 0.645 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)no3)C2)C1 1839227703 WVKSUMUIFXPZQL-UGSOOPFHSA-N 410.427 0.251 30 20 HCED Cc1cc(F)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839284852 PWNXJHTYMWYQLR-HXUWFJFHSA-N 404.394 0.292 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3COc4ccccc4O3)C2)C1 1839806225 GEJMVXPAJPFZHY-IERDGZPVSA-N 400.431 0.306 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1839840816 MRSNOOLJYFRDCH-NQIIRXRSSA-N 409.527 0.377 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)NC(C)=O)CCO2)C1 1839881432 WKOOHGPVESMULD-GUYCJALGSA-N 403.426 0.179 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1)C(F)(F)F 1839893936 ZETKPZAHPKSRJJ-INIZCTEOSA-N 419.356 0.355 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1)c1ccccc1 1840045025 MTVLBOFXKXKBBO-KKSFZXQISA-N 400.431 0.335 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc([C@@H](C)C#N)c3)CCO2)C1 1840716962 YYNFOWQIBCAYSW-QYWGDWMGSA-N 401.463 0.764 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCCNC(=O)C3)n2)C1 1842305541 UYVRQIHRTVSPKV-AWEZNQCLSA-N 417.535 0.543 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC2(CCCN2C(=O)/C=C\C(=O)NC2CC2)C1 1844178980 PTLZAUOUIYBQJQ-HJWRWDBZSA-N 408.458 0.975 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)c2cnc(O)[nH]2)C1 1844505439 CYFFVCHIGCHCDT-CYBMUJFWSA-N 417.466 0.849 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@@H](C)n2cnnn2)C3)c(C#N)c1 1845139876 OLDMCEZTCCEEFW-CQSZACIVSA-N 409.450 0.560 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCCC12CN(C(=O)[C@@H](C)CS(C)(=O)=O)C2 1845187533 OKZSKJZNUIIRJZ-AWEZNQCLSA-N 400.497 0.380 30 20 HCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197427 JYZXLNWIQAARQL-UHFFFAOYSA-N 407.467 0.829 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C1 1847100569 OJBXMCAZRVZMIQ-AWEZNQCLSA-N 421.498 0.165 30 20 HCED COC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 27104224 XLRROGRSGVQHAQ-CYBMUJFWSA-N 416.438 0.789 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)c1 41672547 HRJGADBCTGFEAR-CQSZACIVSA-N 415.537 0.552 30 20 HCED CCCNC(=O)CN1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 50111534 UIQZWGNPOJUBLT-UHFFFAOYSA-N 413.526 0.775 30 20 HCED N#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 110930854 YVUGXMMFJDCVOH-UHFFFAOYSA-N 401.286 0.395 30 20 HCED COC(=O)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 410123213 OUIVCGQNORNICX-ZDUSSCGKSA-N 403.407 0.799 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2cnn(C)c2)C(=O)C1 426839040 YCPBZMBRXMLESA-UHFFFAOYSA-N 406.450 0.759 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 438757555 UNDGMGZKDHVZKD-UHFFFAOYSA-N 412.288 0.780 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)n1 439022922 UBYOOUUKUMMELI-UHFFFAOYSA-N 420.433 1.215 30 20 HCED CNC(=O)[C@H](C)CN(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442036144 WZQVJVLIHRTNJN-LLVKDONJSA-N 402.842 1.176 30 20 HCED COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443350047 HXEJGNRSMJEMNF-WCQYABFASA-N 415.324 0.920 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1 460686836 VAHKWKQHMDWAKZ-YJBOKZPZSA-N 418.457 1.494 30 20 HCED COc1cc(C#N)ccc1OCCS(=O)(=O)c1nnc(N2CCOCC2)n1C 462970824 GBVPLUKUQBJZBY-UHFFFAOYSA-N 407.452 0.385 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 464189698 YTVKIAVFDBDFSC-LBPRGKRZSA-N 416.502 0.741 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1 465320666 HOZJCAJFYQLXNI-UHFFFAOYSA-N 412.450 0.457 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473696122 OHVJAJXUSMWOHB-GOSISDBHSA-N 418.519 0.837 30 20 HCED C=C(C)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 477935736 CYAWRXLBARMSFE-UHFFFAOYSA-N 408.524 0.986 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 479838936 UWWGUUKXTWYFII-AWEZNQCLSA-N 416.459 0.803 30 20 HCED COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 481749280 LKXJHVWDNCEZDD-DYVFJYSZSA-N 423.491 0.557 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](C)S(=O)(=O)C1CCOCC1 482811454 LUUCUIHULJEIID-KBPBESRZSA-N 407.496 0.368 30 20 HCED N#Cc1c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@@H]3C2)sc2c1CCCCC2 483495495 YVXFUFTXMRYXNA-CYBMUJFWSA-N 415.519 0.860 30 20 HCED CCN(CC)C(=O)[C@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 484320894 ZDGXSIBJFNBJCG-MRXNPFEDSA-N 424.548 0.949 30 20 HCED CC[C@@]1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 495224426 MQCMYGOSMVOAOR-LJQANCHMSA-N 406.508 0.238 30 20 HCED CN(C)C[C@](C)(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 502951703 IOUZRSHQOTVJEK-LJQANCHMSA-N 408.524 0.388 30 20 HCED CC(C)(C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1cc(F)cc(C#N)c1 505904082 ZDJSNYCHGLTQHW-UHFFFAOYSA-N 416.453 0.505 30 20 HCED C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 508803860 ZOYHFUGWYABTGJ-MRXNPFEDSA-N 423.477 0.812 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 512807695 JILLNXWOTDUYKL-UHFFFAOYSA-N 415.542 0.175 30 20 HCED N#C[C@@H]1CN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCO1 514441854 ZQIHEIYGJTUIBV-DLBZAZTESA-N 402.451 0.795 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(OC(C)C)cc2)CC1 517973368 ZMTVUKHXPLYKAU-UHFFFAOYSA-N 402.495 0.536 30 20 HCED CN(C)CCN1CCC(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CC1 518552462 AMYOWUGNFPADFZ-UHFFFAOYSA-N 412.538 0.349 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1C(=O)NC(C)C 520900739 ORAKBAPBVLRRAH-UHFFFAOYSA-N 411.466 0.998 30 20 HCED CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 522161590 KZWQOMGDFJSLPW-BBRMVZONSA-N 424.548 0.995 30 20 HCED C[C@@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 527505307 TUVINXJPNFHULY-CRAIPNDOSA-N 408.499 0.653 30 20 HCED CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2CCC#N)CC1 533318198 RMQGSGIREAYBAC-CQSZACIVSA-N 403.487 0.103 30 20 HCED CCN(CC)C(=O)CN1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 539197760 ROHZGQXHJQBMJJ-HXUWFJFHSA-N 420.602 0.555 30 20 HCED CNS(=O)(=O)c1ccc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 539265474 QPWSAVYWOHATOM-LPHOPBHVSA-N 421.567 0.938 30 20 HCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1 550071582 JLILQNYREISNPA-INIZCTEOSA-N 416.507 0.935 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 550737797 OMBPRYRSWKVVGF-UHFFFAOYSA-N 417.487 0.962 30 20 HCED COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccccc2SCCC#N)nn1 551439656 OHOMHRVJKSXEAU-UHFFFAOYSA-N 402.436 0.825 30 20 HCED Cn1ccc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc2c1=O 551768477 XETCUEUJNMSJLO-UHFFFAOYSA-N 411.462 0.551 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)C2=O)cc1 558057746 RUJCOVHAEKFYDB-UESMBRTFSA-N 408.458 0.003 30 20 HCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)NCCn1cnc(C#N)n1 562044617 JSUNAMWXRQGIOM-UHFFFAOYSA-N 406.472 0.288 30 20 HCED Cc1nsc(N2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)c1C#N 578824058 VQRWZIUXLFVVLM-VDERGJSUSA-N 415.475 0.134 30 20 HCED CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC 580680438 HUUDIGWBMGJVKS-CYBMUJFWSA-N 401.510 0.508 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 585701269 SOSXGJBVAMOYGG-CJNGLKHVSA-N 421.461 0.585 30 20 HCED Cc1ccc(S(=O)(=O)NC2CN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc1 589583132 FIYQBMWRFQEFFD-UHFFFAOYSA-N 420.516 0.698 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1CC(C)C 603796387 QMCXYYSFJOKSHM-UHFFFAOYSA-N 400.504 0.617 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 611368131 RYALBCFRJLIITR-UHFFFAOYSA-N 423.429 1.000 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccc(OC)cc2)C1=O 726043085 PLHLWQVWSJEEBE-UHFFFAOYSA-N 403.391 0.174 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)C1=O 726043369 SRCVQIGYOCIHOG-OAHLLOKOSA-N 403.366 0.665 30 20 HCED COc1ccc(Cl)cc1C=c1sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c1=O 729671427 MGZGDYHUQABTRF-UHFFFAOYSA-N 423.903 0.643 30 20 HCED COc1ccc(C(=O)NCCCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732157388 YPTYBEDOCLITNJ-ZZEZOPTASA-N 400.435 0.848 30 20 HCED COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)c(C)n1)c1ccc(C#N)cc1 740235817 DBJRVMMWXXHZDC-INIZCTEOSA-N 406.420 0.336 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)ccc1F 752704078 AWIZJZNGUHHHIT-OAHLLOKOSA-N 413.471 0.690 30 20 HCED Cc1ccc(C(C)C)c2c1C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCO2 753927518 DBJSGXILTZCCAO-UHFFFAOYSA-N 420.491 0.981 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCOc1ccc(C#N)cc1 762937522 KUJWWNHDQDOFRX-ZDUSSCGKSA-N 417.443 0.946 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCOC1 763458655 SYHVXBSRTSHKDS-HNNXBMFYSA-N 400.504 0.314 30 20 HCED CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 769076643 JKPUWEBJRKIURH-IBIZNAIESA-N 417.466 0.520 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O)c1cc[nH]n1 772540623 JVHZRACEXCGYFR-AWEZNQCLSA-N 403.370 0.364 30 20 HCED C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCSC[C@@H]2C#N)C1=O 774641837 CABWRSUQOXTVGW-GUYCJALGSA-N 408.505 0.756 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2COC3(CCOCC3)O2)ccc1F 777019277 MEUPQIQAQFJZDY-AWEZNQCLSA-N 414.455 0.942 30 20 HCED C[C@H](O)c1cn(C2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 779559912 GHSLFNLYPRFHNY-LBPRGKRZSA-N 418.479 0.234 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(-c3ccccn3)n2N)CC1 779762293 GMVXEERTISWYSN-OAHLLOKOSA-N 400.512 0.838 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN3C(=O)OCC[C@@H]3C2)n1 781539285 MPTYRUUAWSBMGH-GFCCVEGCSA-N 412.381 0.875 30 20 HCED CNC(=O)COc1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1OC 781595584 IHKRXMVNASVTTJ-UHFFFAOYSA-N 421.406 0.949 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 783201192 BAEWQCICAIEXJN-UHFFFAOYSA-N 408.524 0.625 30 20 HCED C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc2c(c1)CC(=O)N2C 787778513 PZYQDAQIYUILRA-CYBMUJFWSA-N 406.446 0.878 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 787786695 BWFAZZUCLGBMEL-UHFFFAOYSA-N 408.466 0.431 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(OC(C)C)nn2)n1 793069602 RIPLLJDTHFJRIT-UHFFFAOYSA-N 400.439 0.707 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 796457383 ALYXJDBVLRBTMV-MGPUTAFESA-N 403.435 0.622 30 20 HCED CCC[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(N)=O 807398994 GRJKFOMLXJUSKJ-LWOZTNPUSA-N 423.495 0.208 30 20 HCED CON(CC1CCOCC1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 808237163 FASBNAUTMJDDNA-SFHVURJKSA-N 414.462 0.592 30 20 HCED C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCOC)[C@H]1CCS(=O)(=O)C1 812128571 AHOBTWYEHZNEPT-HNNXBMFYSA-N 411.528 0.470 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812440219 DVCCGUDSXNEGKC-IAGOWNOFSA-N 418.523 0.874 30 20 HCED Cc1cc(C)n(CCC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 915377685 BGDFSEAPUSETOW-UHFFFAOYSA-N 400.439 0.950 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916867842 IHPBCXVKGSWYSO-QGZVFWFLSA-N 423.491 0.573 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)NCCN1CCC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1055647253 PFEFAFQVEJAGBA-GCNBINEPSA-N 403.523 0.698 30 20 HCED CC[C@@H](CC#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1116594724 MMXGYOKWMAQFAK-ZFWWWQNUSA-N 401.510 0.577 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1141411842 OGLRKKLKNOKOOX-JKSUJKDBSA-N 405.476 0.980 30 20 HCED C=CCN(CC=C)C(=O)CN1CCCO[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1150005872 MNASCSZIEMBISE-SIFVSHMBSA-N 403.523 0.818 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CC(=O)N2CCOCC2)c1 1302988330 YTQXAYWVNMBSDR-UHFFFAOYSA-N 409.450 0.002 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCO1 1309752765 WFBBTWROJAKUTE-DGCLKSJQSA-N 402.835 0.643 30 20 HCED Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cn1 1314900210 NFRQKDLSZLMTDD-DYVFJYSZSA-N 407.475 0.945 30 20 HCED N#CCN1CCC(NC(=O)c2cccc(C(=O)NC3CCN(CC#N)CC3)n2)CC1 1318383308 YSKPDLFKKRIXBQ-UHFFFAOYSA-N 409.494 0.517 30 20 HCED COC[C@@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1320915067 HJWKXPHJWJGNJZ-BXUZGUMPSA-N 402.856 0.955 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(Cc3ccccc3F)CC2)C1=O 1344028935 JKHISIDVJFZPLW-UHFFFAOYSA-N 403.410 0.699 30 20 HCED CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(OCC(N)=O)c1 1359466320 YMZKSCHEAWMPID-CQSZACIVSA-N 413.482 0.925 30 20 HCED 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N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5cccnc5[nH]4)C3)C2)CC1 1835344708 QVVPFIFHEDTMBR-NRFANRHFSA-N 409.446 0.937 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835660845 OJJWNCRVBWJIBF-ZRUQZJFASA-N 408.568 0.711 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cn3)CCO2)C1 1836030153 PVSZAOBDOLKOPN-HRAATJIYSA-N 421.469 0.811 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4n(n3)CCCO4)CCO2)C1 1836973187 LVICQXGTPHLNAS-FZKQIMNGSA-N 410.496 0.054 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccncc3)C2)C1 1837400981 RWWWMJLDYDDTRF-PGRDOPGGSA-N 417.506 0.654 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(CC)COC3)C2)C1 1837403722 PQBRKQXRYWQYJD-IIBYNOLFSA-N 410.511 0.443 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cnccn1)CCO2 1837485025 HBEWXODLVOPUSD-UZLBHIALSA-N 401.467 0.147 30 20 HCED CO/C=C(\C)C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564494 RZNFWBIICRQOGC-LSRNITNXSA-N 405.451 0.705 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1837636955 GAOJRHCZVQPVBB-QGZVFWFLSA-N 424.498 0.742 30 20 HCED Cc1ncncc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1838088376 IJXGBSQNRXGGBA-QFBILLFUSA-N 408.524 0.809 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(N(C)C)nc3)CCO2)C1 1838198665 IXSHFBFBNAGQPT-LIRRHRJNSA-N 408.524 0.536 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)CNC(=O)c3cc(C)on3)CC2)CC1 1838408884 QWABMVBCPUARLA-UHFFFAOYSA-N 402.451 0.345 30 20 HCED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C#N)cc(OC)c1)CCO2 1838580584 LLUJIBBETROFCE-HXUWFJFHSA-N 403.435 0.283 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)CC1 1838620337 IMTRVKXZVDCROU-GJYPPUQNSA-N 424.542 0.509 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1838905832 BDNZUIANQSDHBF-NRFANRHFSA-N 409.446 0.525 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnc3)C2)C1 1839222434 NJKBHEDVKKKGGI-QKLQHJQFSA-N 421.498 0.701 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4C[C@@H](O)C4)C3)C2)c1 1839420961 PAHJLWVXWNUWSJ-MRUHUIDDSA-N 417.437 0.538 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839715739 UUWKDPMXRVVPCL-JOCHJYFZSA-N 423.473 0.833 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839895530 HOIJAYNBXRMGDL-GOSISDBHSA-N 412.508 0.315 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1840161290 KIKPAZMQTYHMTE-DOXZYTNZSA-N 408.524 0.657 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840216870 TVPPIWPYHFLJOL-DYESRHJHSA-N 408.495 0.710 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1840293806 WKECRQWKFQUNOK-IBGZPJMESA-N 419.438 0.582 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840801409 BFZNHGSSWLTWLO-IBGZPJMESA-N 410.471 0.271 30 20 HCED COCc1c[nH]c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840814595 SVPYTRUCHDSNMK-NRFANRHFSA-N 416.478 0.925 30 20 HCED CC(C)(CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)NC(=O)OC(C)(C)C 1841371811 RXMQETCNHZCUMG-UHFFFAOYSA-N 407.467 0.971 30 20 HCED Cc1cc(C(=O)NCC(=O)N2CC3(CCCN3C(=O)C#Cc3ccccc3)C2)no1 1842730743 CTFVFWQKEXLEMG-UHFFFAOYSA-N 406.442 0.968 30 20 HCED N#Cc1cccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)C=CC3=O)C2)c1Cl 1846460714 WJEZXXCJTRNUAF-UHFFFAOYSA-N 412.833 0.954 30 20 HCED N#CC1(C(=O)N2CCCC23CN(C(=O)[C@H]2CCc4nc(O)nc(O)c4C2)C3)CCC1 1846971706 AMZHRLPAHAVMAX-ZDUSSCGKSA-N 411.462 0.890 30 20 HCED C#CCCC(=O)N1CCCC12CN(C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C2 1846999931 RORZCZMSMQHABD-NRFANRHFSA-N 405.495 0.975 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)COCCOCCOCCOC)C1 1847227589 HZSATDHNGSLAFR-OALUTQOASA-N 410.511 0.851 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 304934942 HNDUNISOOHXFOJ-WMHQRMGPSA-N 403.483 0.319 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCOC[C@@H]2c2noc(-c3ccccc3)n2)CCO1 409489722 BDNRKUKOUOMPOZ-LSDHHAIUSA-N 405.436 0.579 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)C1=O 410112661 HETWHXXIXMOKBN-INIZCTEOSA-N 407.492 0.407 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 410159171 MRFMOVHGCPZFES-UHFFFAOYSA-N 407.543 0.238 30 20 HCED CCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 410197911 GZKFVFJQSGUMCO-MRXNPFEDSA-N 423.543 0.352 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCC34CCOCC4)CC2)c1C#N 430775205 GELZWIWAXRZRJY-QGZVFWFLSA-N 414.510 0.714 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@H](CO)COC(C)C 433638928 KXNQPFIOFZBPPQ-OAHLLOKOSA-N 400.439 0.630 30 20 HCED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)s1 435430334 AJMZOHYDLFLWEQ-UHFFFAOYSA-N 419.550 0.871 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N(CCCO)Cc3ccccc3)n2)cc1 439609205 COAGZOBSDJBPLS-UHFFFAOYSA-N 418.457 1.548 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1 442377053 GRAORFMZERRBIB-CVEARBPZSA-N 421.461 0.903 30 20 HCED NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)C2)nn1 442445826 RILDSLICUSMJMJ-UHFFFAOYSA-N 414.425 0.799 30 20 HCED CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443487947 SOBWLEZIMWEHPT-UHFFFAOYSA-N 415.313 0.891 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCn2c(=O)oc3ccccc32)cn1 460609739 WGBOCFFAWGOETM-UHFFFAOYSA-N 417.385 0.802 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460612757 IHXQLUADCYBGLV-MRXNPFEDSA-N 424.509 0.467 30 20 HCED CCN(CC)C(=O)CN1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462019488 ZALPKMXJDBHOCV-UHFFFAOYSA-N 424.509 1.465 30 20 HCED CN(CC(=O)N1CCC[C@@H]1CN1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 464310204 JSBKBUUVXMURAT-QGZVFWFLSA-N 406.508 0.502 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 470218965 INFXGGLFOJTPSH-UHFFFAOYSA-N 415.837 0.837 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(-n4cccn4)nc3)CC2)c1C#N 472858967 LFXNQVLFSAMTEL-UHFFFAOYSA-N 419.449 0.468 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 473699117 SURSEMRKASPKMJ-OALUTQOASA-N 411.506 0.753 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCC(=O)N3Cc4ccccc4C3)CC2)c1C#N 475078159 WWYMJZHRZWFGOZ-UHFFFAOYSA-N 407.478 0.974 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(F)F)c1 475679262 LWLNKAFGAXCBRD-NSHDSACASA-N 404.381 0.486 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccnn2C)c1=O 484519399 ZFRUPZFVWOVJCU-UHFFFAOYSA-N 403.533 0.132 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)cc1 490198836 GABVVJJGXKBZHX-UHFFFAOYSA-N 424.461 0.688 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(OC)c2OC)CC1 491195989 ADETUJPAKQRXSU-UHFFFAOYSA-N 420.466 0.097 30 20 HCED C=CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc1 493011910 WOTJRAMTNPWJRJ-UHFFFAOYSA-N 419.463 0.200 30 20 HCED CC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](O)C(F)(F)F 498498949 HAIQHOGRQFLRJT-STQMWFEESA-N 410.356 0.955 30 20 HCED C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 499328758 RYAWDCGDYGYDAO-STQMWFEESA-N 401.510 0.459 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 502232851 MTZBQKCOMAWVEW-RBUKOAKNSA-N 409.490 0.472 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 504578824 SSUOGCBNUCJEOD-UHFFFAOYSA-N 420.944 0.754 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 505781716 BZUQMIKSMUADRH-UHFFFAOYSA-N 421.461 0.783 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 509430219 LABWEQBZUZAHFZ-CQSZACIVSA-N 403.512 0.808 30 20 HCED N#CC1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 510954089 SOGBVGOGVOSCGO-UHFFFAOYSA-N 412.462 0.986 30 20 HCED N#Cc1ccc(OC2CCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)c(F)c1 511393417 CWOYUYWQBSTUBP-UHFFFAOYSA-N 417.484 0.516 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 521185990 WIALYIINBKTZOX-CYBMUJFWSA-N 422.550 0.301 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)C1=O 522726419 CWCJPXMTYMYRPG-UHFFFAOYSA-N 414.418 0.603 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 538082952 JJHZAQGFEVSIGX-UHFFFAOYSA-N 418.479 0.677 30 20 HCED Cc1ccc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1S(=O)(=O)NCC#N 538252485 CIDVRCYHOIIGLS-ZDUSSCGKSA-N 423.413 0.545 30 20 HCED COCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 539374540 SAWYEHOJIFMNFG-FQEVSTJZSA-N 403.502 0.799 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H]3[C@H](O)CC[C@H]3C2)CC1 543182276 XGKGZNXCEFYJKX-RCCFBDPRSA-N 418.519 0.094 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 549272685 KPNZAINRMNDHQG-UHFFFAOYSA-N 403.531 0.737 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)s2)c(=O)n1CC(N)=O 553538299 GZEOPKBXJFSUDJ-UHFFFAOYSA-N 404.517 0.048 30 20 HCED CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 554231993 AHENRBXQNKUULU-QGZVFWFLSA-N 415.542 0.630 30 20 HCED COc1ccc(NC(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N1CCCCC1 558225240 BISYMWFCFAWVGZ-UHFFFAOYSA-N 409.468 0.631 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C[C@H]1O 559251928 UYQDTDUTWCWJGG-DLBZAZTESA-N 416.478 0.133 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 560010228 LDAGLRKEDYSINP-UHFFFAOYSA-N 402.432 0.925 30 20 HCED C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 562023823 AJFDSDJHIVQERZ-DLBZAZTESA-N 406.531 0.931 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NCCn2cnc(C#N)n2)cc1F 569373444 ZYQHAQCGQLNJNJ-LLVKDONJSA-N 417.401 0.792 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 573462148 NVVVNHOJCXSLOQ-GJZGRUSLSA-N 407.434 0.656 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1)c1ccc(C#N)cc1 585713022 ZDVXOPYEFRAXBK-CQSZACIVSA-N 406.446 0.578 30 20 HCED CN(CCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)CC(F)(F)F 585727731 NQGPTCHZTFQSDG-UHFFFAOYSA-N 412.416 0.602 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 609087803 DBBRJLNGUWYEEF-NSHDSACASA-N 416.406 0.638 30 20 HCED N#CCCCOc1cccnc1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 609171411 WBJNORJCAAGNGJ-MRXNPFEDSA-N 401.467 0.883 30 20 HCED CN1CCCN(CCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 609619827 HULOILCXNJCMPF-UHFFFAOYSA-N 407.540 0.636 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)O1 611374836 WUMLDSSJPXPFPF-HOCLYGCPSA-N 416.482 0.891 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 614598529 ZHPQRLOWSRYIMH-UHFFFAOYSA-N 421.519 0.862 30 20 HCED C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(N)=O)C1 670215332 SOEMIEKEPXBDQW-CQSZACIVSA-N 419.511 0.505 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2Br)C1=O 726042788 GOVIEUHWYSBTMC-UHFFFAOYSA-N 424.207 0.908 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(OC)c(OC)c2OC)CC1 728530361 ANNCTRHDWMWCQZ-UHFFFAOYSA-N 403.479 0.539 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)N2CCN(Cc3ccccc3C)CC2)CC1 728571179 DJDSQGIANQBGPO-UHFFFAOYSA-N 411.550 0.006 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3ccc(OC)cc3)c2C)CC1 733150546 NCQLWPUPZNYEQX-UHFFFAOYSA-N 410.478 0.482 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2C)CC1 734151140 GGIMOIKWDJZBFR-UHFFFAOYSA-N 400.526 0.760 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c1 735595273 PRYKFHOCBQGXDE-UHFFFAOYSA-N 407.430 0.975 30 20 HCED N#Cc1ccccc1/C=C\C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 735821852 DGNRRBMOYLKAIB-XFHJGTJQSA-N 416.503 0.019 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCSc2ccc3c(c2)OCCO3)CC1 737834651 GAVUJRCVRMJZTB-UHFFFAOYSA-N 403.504 0.834 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1nc(CC(F)(F)F)no1 744495573 WAXLNPCPXMJGLQ-UHFFFAOYSA-N 404.326 0.956 30 20 HCED C[C@H](OC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1cccc(C#N)c1 745441510 HFBZSHAUWMTQHW-SZVHDIOQSA-N 411.414 0.979 30 20 HCED N#C[C@@H](C(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)N1CCS(=O)(=O)CC1 753974314 PAUBFMXHMXAMLR-HNNXBMFYSA-N 417.443 0.029 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755619805 AHHFQGLEIXQJCW-UHFFFAOYSA-N 411.531 0.736 30 20 HCED CNCCCc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)c1C#N 760307961 RNXOZTFFZFCCQX-UHFFFAOYSA-N 406.468 0.868 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)NCCc2c[nH]c3ccccc23)CC1 761031304 PWRMIUZUZUADHA-INIZCTEOSA-N 417.535 0.300 30 20 HCED N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2cncs2)c(=O)n1C1CC1 767881707 AANYCFRXCLXIRC-UHFFFAOYSA-N 404.542 0.780 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3cc(-c4ccccc4)[nH]n3)n2N)CC1 768441580 PMPFWZKDIUIJJQ-UHFFFAOYSA-N 422.518 0.919 30 20 HCED C[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1Cc1ccccc1 771898346 XDHCXYJXWWKDOW-AWEZNQCLSA-N 419.507 0.403 30 20 HCED C[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 773911959 BYYYYENSGILRLN-SFKFPXOQSA-N 408.480 0.685 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H]1O 774490693 KMVBSTSWVDAFDF-ZNAFYTPQSA-N 422.507 0.667 30 20 HCED Cc1oc(C(=O)NS(=O)(=O)CC(C)(C)C#N)cc1S(=O)(=O)N1CCCC1 776140890 PGVQDOWTVBJWPZ-UHFFFAOYSA-N 403.482 0.982 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 782112023 QDXHSEVFCHHQAN-UHFFFAOYSA-N 402.520 0.772 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 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20 HCED COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCCn2cnc(C#N)n2)C1=O 803549561 HZMCRKSRNAQNQZ-LJQANCHMSA-N 411.422 0.050 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCCC4(C3)OCCO4)C2=O)cc1 808236340 BKRLYFVUFYAQBU-KRWDZBQOSA-N 412.446 0.141 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)[C@H]1CCCO1 808528468 CNUWTWUQZLWOLZ-ZWKOTPCHSA-N 421.519 0.534 30 20 HCED COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cn2)CC1 815631589 JTTVVBCVGPRZGO-UHFFFAOYSA-N 400.439 0.719 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 815861560 OCDIEGWIISMWPD-UHFFFAOYSA-N 400.479 0.477 30 20 HCED CS(=O)(=O)N=S1(=O)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 821300017 PHHYWIBCTPUQDO-INIZCTEOSA-N 410.521 0.797 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)nc2O)cc1 916440690 NJIIEAPXMQQSGB-ZHZULCJRSA-N 405.436 0.551 30 20 HCED N#C[C@H](C(=O)NC1CCCCC1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 916892117 BBLAJIHCEQLMML-KBPBESRZSA-N 408.480 0.310 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)COc2nsnc2N2CCOCC2)c1 917217050 CEEYHQPLMOVYNX-UHFFFAOYSA-N 415.475 0.832 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 1054788090 PEMXEXLTIZBVAI-UUAJXVIYSA-N 402.476 0.335 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(OCC(N)=O)CC2)cc1 1116153627 OWHQYRZJHRLBBB-UHFFFAOYSA-N 410.496 0.991 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCNS(C)(=O)=O)n1 1304752071 TVGDRRBTHFEJOW-UHFFFAOYSA-N 420.543 0.819 30 20 HCED N#Cc1ncn(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)n1 1327013779 KXPCGAUKSDKZOO-ZDUSSCGKSA-N 401.814 0.825 30 20 HCED C[C@]1(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)NC(=O)NC1=O 1339908946 VSGFERXJNSTMCL-SPLOXXLWSA-N 409.446 0.748 30 20 HCED Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1361264715 RMWCMGRPMGSDJN-ZIAGYGMSSA-N 421.527 0.682 30 20 HCED C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1494593658 NVZWJYOBHMTIRE-CQSZACIVSA-N 405.480 0.998 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)C1 1503677669 IQJUVGYRKPMLNF-NRFANRHFSA-N 409.494 0.585 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)CC1=O 1554364007 WBHJZGZLXKYCQL-HXUWFJFHSA-N 412.450 0.159 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)C2)c(F)c1 1627514382 WGHQSPVSKWJQBP-LSDHHAIUSA-N 409.487 0.698 30 20 HCED CN([C@@H]1CCN(S(C)(=O)=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1663491045 XMPHZONJPOLYIZ-GFCCVEGCSA-N 422.326 0.975 30 20 HCED C[C@H]1Cc2cc(S(=O)(=O)NCCn3cc(C#N)c(O)nc3=O)cc(Cl)c2O1 1664544357 QKVNGMYHNAIZLT-VIFPVBQESA-N 410.839 0.776 30 20 HCED CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1695867909 IPSCOEYQRFAHGX-FUHWJXTLSA-N 413.530 0.433 30 20 HCED Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1707913914 VUDKVUKCJGRWQE-UHFFFAOYSA-N 403.512 0.330 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1711418264 IZQGBIIMTUKQTN-ZDUSSCGKSA-N 417.495 0.033 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCc1cnn(C)n1 1723914186 NFXZGULTLNCPJQ-STQMWFEESA-N 409.520 0.388 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc(C)n(C)c3=O)CC2)c1C#N 1725862465 LFHSUGWUPWUYFG-UHFFFAOYSA-N 421.509 0.882 30 20 HCED COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1770548409 JATQPDZSKAXPLR-PXAZEXFGSA-N 423.474 0.782 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H](F)CN3C(=O)OC(C)(C)C)C2)C1 1778079034 AERDQCUXMUWXNV-SIFCLUCFSA-N 409.458 0.797 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)Cn3c(=O)n(C)c4ccccc43)C2)C1 1778165767 DOIGGZMALFLUDG-JLTOFOAXSA-N 418.519 0.488 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1778520499 DPRGOKWBBPMKAU-KKSFZXQISA-N 411.462 0.520 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](OC(C)=O)C(C)C)CCO2)C1 1778970731 DNJXYXNZAXEMGB-XGHQBKJUSA-N 410.511 0.977 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)nn1 1779020666 VUFJZWBCPPHZHK-TTYLXTBDSA-N 416.482 0.400 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccco1)CCO2 1779063616 QQLVMFSYAJDJKY-UGKGYDQZSA-N 416.474 0.842 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779135669 CTDBGMKAOOWBJQ-AEWXRJQFSA-N 419.482 0.236 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1780598084 IKKHPHZIHLJVRM-LJQANCHMSA-N 403.460 0.820 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccn(CC)n1)CCO2 1781267551 VVADDHROWKYPMN-HXUWFJFHSA-N 404.467 0.856 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017939 UVUVFIWVFUJHLV-JLTOFOAXSA-N 408.451 0.178 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782634776 JBYSHSJAHGRZJE-KKSFZXQISA-N 418.494 0.518 30 20 HCED COc1ccc(Cl)cc1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1782978177 DQXRWSZVGCEUIX-FQEVSTJZSA-N 420.849 0.809 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1783046922 XZNLKGHQTIHXIO-OXJNMPFZSA-N 419.503 0.125 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)c3nccnc3C(N)=O)CCO2)C1 1783197138 FNBGJLMDNTUPGC-KRWDZBQOSA-N 409.393 0.230 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C13CC(C(F)(F)F)(C1)C3)CCO2 1783557626 IVYHELBXSFATPE-JCYILVPMSA-N 400.353 0.637 30 20 HCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1)n1cnnn1 1784588666 LAMHIUPSXMIODW-HRAATJIYSA-N 423.477 0.568 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C3=NN(C)C(=O)CC3)[C@H]2C1 1784975402 ZSXAMEKWOIFHFJ-JKQORVJESA-N 406.483 0.165 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785262328 CXOZHEUZXAJPOR-QVKFZJNVSA-N 404.438 0.800 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(OCCCO)cc3)C[C@@H]21 1786367742 UFTCEGRYAZIJGY-WDSOQIARSA-N 401.463 0.955 30 20 HCED CN1N=C(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#Cc4ccccc4)[C@H]3C2)CCC1=O 1786558111 CASWCXSJDBSWGL-BJLQDIEVSA-N 422.485 0.626 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C[C@@H]21 1786562424 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30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)COC(C)(C)C)C2)C1 1829762860 UFXFDTARZDULNF-NGXITPROSA-N 423.510 0.116 30 20 HCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n(C)n1 1830053352 PUPBMBUJJUBNDF-IBGZPJMESA-N 405.455 0.048 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1830054590 UTTRWRZFADSXQO-LJQANCHMSA-N 421.429 0.402 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830628897 AJJIHFBAINMBCJ-UZLBHIALSA-N 404.467 0.363 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1830638785 YJNBPYPXFSKMMB-LAUBAEHRSA-N 422.526 0.658 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCC(=O)Nc1ccccc1)CCO2 1830672585 JAQQSBFWDIZFAK-QFIPXVFZSA-N 413.474 0.885 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccoc3)C2)C1 1831387462 PVLRTEMNGKRJPF-GQANSBOFSA-N 402.447 0.788 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1831421743 QOFMYBIRADEBBQ-OXJNMPFZSA-N 406.483 0.564 30 20 HCED 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490027963 BZXUWBQUXUEPSJ-ZDUSSCGKSA-N 402.432 0.903 30 20 HCED COc1cc(N2C[C@@H](C(=O)N3CCN(CC#N)CC3)CC2=O)cc(OC)c1OC 508061895 KEUBZBYKVKYBSA-AWEZNQCLSA-N 402.451 0.733 30 20 HCED COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)C(=O)NCC(=O)NCC#N 508971938 WAJFGZXFQFRMLG-UHFFFAOYSA-N 415.450 0.406 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2C[C@@H]2CCOC2)cc1 518403972 OTLGRCHBVDILPU-DLBZAZTESA-N 423.477 0.979 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2nccc2[N+](=O)[O-])CC1 519900176 BDOUYPNSUZOPEQ-UHFFFAOYSA-N 404.408 0.196 30 20 HCED C=CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 525855184 JWMSZDQIJQXDBY-UHFFFAOYSA-N 410.496 0.356 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 531370673 RTJVLEFKOLXSGP-JTQLQIEISA-N 400.485 0.447 30 20 HCED COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2C#N)cc1S(N)(=O)=O 536703904 FUDWFIRWRXTYAK-UHFFFAOYSA-N 413.452 0.874 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 537248735 MULQJKROQNLTOT-QYZOEREBSA-N 418.469 0.797 30 20 HCED C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541141011 RQIXTKDGWZXIBO-SMDDNHRTSA-N 403.826 0.944 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@]12CCCO2 544757171 KKYNQSLSRLRJQX-FVJLSDCUSA-N 424.461 0.979 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 544872901 GTUFLZJZMMIXKR-WFASDCNBSA-N 405.480 0.288 30 20 HCED CN(C)c1ncncc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 545496613 IEZPDXFJNIIQGL-OAHLLOKOSA-N 407.434 0.665 30 20 HCED COCCN1CC[C@H](NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 553734709 MURXKXVAZAXFFN-KRWDZBQOSA-N 400.479 0.765 30 20 HCED C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 555285487 IMFFIVOUGVSBSY-UHFFFAOYSA-N 423.481 0.865 30 20 HCED CN(CC(=O)NCc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 557544747 ZLRSGIWQRLROMG-UHFFFAOYSA-N 400.460 0.611 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(C(=O)NCCC)c2)C1=O 559778297 PEKHQFGZFPVWSU-QGZVFWFLSA-N 400.479 0.688 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN([C@H]2C[C@H]2C)C1 560151520 JOZWDGCJDJBSSV-FCEWJHQRSA-N 421.505 1.325 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)N3CCN(c4cnccc4C#N)CC3)cc2C1=O 562626681 WPCURHQEXMMTOQ-UHFFFAOYSA-N 411.443 0.690 30 20 HCED CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 565983173 FTUCKEALNMMGOC-RDJZCZTQSA-N 403.464 0.699 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 568342275 WWSNLAICIJNNSL-ZDUSSCGKSA-N 413.386 0.790 30 20 HCED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 576575982 IXMMSZAVCWYCES-CQSZACIVSA-N 421.397 0.729 30 20 HCED CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 576901504 XFIVEQOZIXLUIL-RTBURBONSA-N 411.506 0.968 30 20 HCED CCN1CCN(CCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 576912714 PTTATHBZAZPIAS-UHFFFAOYSA-N 410.482 0.221 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C 584369790 SDZRUBOBWJEKJH-RDTXWAMCSA-N 410.434 0.717 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3)CC2)nc1 586824184 HPVULZGDJHRAGX-HNNXBMFYSA-N 424.427 0.791 30 20 HCED CC(C)(C)CN(CCO)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588868329 FKVIBSUYBQDGMK-KRWDZBQOSA-N 400.479 0.642 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 604167727 OJZQVGLOVIIMMS-UHFFFAOYSA-N 408.418 0.105 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 604169250 WGYPCNMMDDCMDK-UHFFFAOYSA-N 403.406 0.216 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)cc1 604540821 NMXBJZKDZOSRMS-UHFFFAOYSA-N 414.487 0.929 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)cc1 609671229 PUBUAIKKKVCWLJ-PMACEKPBSA-N 402.458 0.801 30 20 HCED N#Cc1cccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 609899342 VGGSZZSKSUOKEX-UHFFFAOYSA-N 413.521 0.810 30 20 HCED CCO[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 610002106 CVIIUUCNJUTNMP-SFHVURJKSA-N 420.535 0.892 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c1cnn2CCO 610859090 MBPRHTIJEXZGRI-SUMWQHHRSA-N 417.491 0.608 30 20 HCED N#Cc1ccc(CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)c(Br)c1 611491997 VKOJTBBHHZGPAT-CQSZACIVSA-N 421.251 0.990 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 619583185 BWQJQGMNKWNDJK-SFHVURJKSA-N 408.524 0.605 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 619835463 WFGOXHFBVVJVOO-UHFFFAOYSA-N 404.370 0.712 30 20 HCED C[C@H](NC(=O)c1ccoc1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)c1ccoc1 680340019 SHJKPHHZTRIIJJ-OKILXGFUSA-N 414.418 0.045 30 20 HCED CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)cc1 682435124 KXHDVQAUXQKJEA-LJQANCHMSA-N 422.482 0.660 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C[S@](=O)CCOC)c2)C1=O 735020779 OIWYPUFRLXGNKF-MUUNZHRXSA-N 407.448 0.497 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 742551554 RAIFSEWRBJHKRO-JBBFIGJUSA-N 409.493 0.994 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCOC 743725228 JLPXCVUOPFLQDM-AWEZNQCLSA-N 418.519 0.517 30 20 HCED CN(C)CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 744925418 LALIHNBTGGMNSE-UHFFFAOYSA-N 401.467 0.444 30 20 HCED C#CCN1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 747394599 UMFXPSPEGSCYNM-UHFFFAOYSA-N 400.298 0.796 30 20 HCED CN1/C(=C/C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)C(C)(C)c2ccccc21 748425327 BHMPLHCDRGAOGK-CAOOACKPSA-N 418.475 0.954 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1=O 749971672 IJLMMMSSISAPKM-OAHLLOKOSA-N 421.498 0.442 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 751822525 WQVZAMCSFTZVQM-UHFFFAOYSA-N 417.560 0.568 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)cc2OC(F)F)cn1 752541609 RFYUOWVQNMEHAN-UHFFFAOYSA-N 400.363 0.915 30 20 HCED CN(C(=O)COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C#N 758092229 RRKKLPSTIJWIBE-ZDUSSCGKSA-N 417.871 0.283 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 758226809 PKWYJFZFSREHOB-HDOZFUISSA-N 420.495 0.741 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](COC)C(N)=O 760046959 FHMCXYINSWERQT-LLVKDONJSA-N 400.229 0.715 30 20 HCED C#CC[C@]1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 764472435 LCGQBZRCLDTJJS-QGZVFWFLSA-N 400.501 0.127 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 765740746 PJUKLHDSNDBJPS-FQEVSTJZSA-N 420.466 0.823 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1CCN(c2cnn(C)c2)C1=O 767626533 ICHXKKYIGXQNKK-LRDDRELGSA-N 417.447 0.307 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCCN1C(=O)NC(C)(C)C1=O 767626784 IYYIBQCQFJSBRH-GFCCVEGCSA-N 422.463 0.489 30 20 HCED COC(=O)Cn1cc([C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 770702272 PJQSZCHQWTZPJG-VXGBXAGGSA-N 421.435 0.294 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)c2nccn2C)C1=O 771639148 ZFNBSENQRCCVPM-YUNKPMOVSA-N 409.402 0.787 30 20 HCED C[C@H]1CCC[C@@H](N2CCC(=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C1 771890355 GKWHQVNSQPNIEK-DZGCQCFKSA-N 411.528 0.393 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(S(N)(=O)=O)cn3)C2=O)cc1 778839395 IRJOFUVWEIZRGD-INIZCTEOSA-N 400.416 0.953 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n(C)c1=O 780178296 DCMGJIOEWPDBNN-LJQANCHMSA-N 419.438 0.239 30 20 HCED Cc1oc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1S(=O)(=O)N(C)C 781602040 PFHMEISKTLWDQQ-UHFFFAOYSA-N 415.424 0.968 30 20 HCED CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cn2)c2ccccc2O1 782129640 NCSWCFKAEDQLQS-GOSISDBHSA-N 407.430 0.890 30 20 HCED CS(=O)(=O)NC1(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)CCCCC1 783016433 ZWASBBONHJVUAX-UHFFFAOYSA-N 408.480 0.896 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 783482253 WUJJXQXGTFAVAY-MRXNPFEDSA-N 423.466 0.250 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(CCC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 786424274 PBVFFFSRRAQSPV-MRXNPFEDSA-N 406.460 0.380 30 20 HCED C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787642776 GOKXSCPCFMMATN-QWHCGFSZSA-N 409.464 0.453 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCN(c3ccc(C#N)nc3)CC2)CC1 801552663 RGMLWBUGWIBNOJ-INIZCTEOSA-N 400.483 0.764 30 20 HCED CC1(C)OCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CO1 806650572 XEQPBLATDQMZKI-INIZCTEOSA-N 400.435 0.438 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(NC(=O)NC2CCCCC2)CC1)[C@H]1CCCO1 809304731 PJYQRKRDTHJSRO-QZTJIDSGSA-N 404.511 0.906 30 20 HCED C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812189698 GXYZSRWWTWOVKO-MRXNPFEDSA-N 423.539 0.567 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC1=NNC(=O)C1 819869770 YVWYMBWZRFOGBW-OAHLLOKOSA-N 419.507 0.912 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(C(C)=O)CC2)cc1 856433787 ANEZIOYFUMYSEG-AWEZNQCLSA-N 423.491 0.387 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCNC(=O)c2cccnc2)ccc1F 915286173 UWAWQWWOXZHTBC-UHFFFAOYSA-N 406.439 0.845 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 918238614 IWNPCMXVBWICPE-VDVBZYJVSA-N 408.480 0.733 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(CC)n2)c(=O)n1CCOC 920395125 MFQFKMUGSBQSIU-UHFFFAOYSA-N 404.517 0.380 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c2=O)ccc1F 1116377934 SKXGXZOIDWPJLU-UHFFFAOYSA-N 403.435 0.271 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 1116902951 NZQZGMJGESBJFZ-CQSZACIVSA-N 401.448 0.119 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)[C@@H](CO)C1 1152424415 PAWFVXAPZYTTJE-LZWOXQAQSA-N 409.508 0.343 30 20 HCED CN1CC[C@H](N2CCC(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)C1=O 1157212520 PLDCOZUZKVPUCU-SFHVURJKSA-N 407.478 0.751 30 20 HCED N#CCOc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c1 1318560365 JTDUASFWPHHGGZ-UHFFFAOYSA-N 410.415 0.930 30 20 HCED C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)CC1CC1 1319666734 LXQIDWUBMRNRPW-UHFFFAOYSA-N 405.520 0.873 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCc3nc(-c4ncccn4)no3)CC2)c1C#N 1338825149 FKNBGQTYLRGGIF-UHFFFAOYSA-N 407.438 0.722 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCS(=O)(=O)N2CCCC2)C1 1469729636 NXQVUGHJKHJGGL-UONOGXRCSA-N 415.516 0.470 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)CCO1 1505322744 SUXZOWIDGUCORP-HOTGVXAUSA-N 402.480 0.547 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)c(=O)nc1O 1585296781 ZGDOFVQKDKKRBI-MRXNPFEDSA-N 411.418 0.738 30 20 HCED CN(c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C)[C@@H]1CCS(=O)(=O)C1 1711028736 YLDLWPKGDMWMNR-OAHLLOKOSA-N 412.479 0.617 30 20 HCED CN1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)C1 1767510879 XOOAXDFUJNSMSM-FQEVSTJZSA-N 401.515 0.711 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1769845721 SFWSLEQVYYIWQD-HNNXBMFYSA-N 411.528 0.852 30 20 HCED Cc1cc2nnc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C(C)(C)C#N)CCO4)c(C)n2n1 1777779388 ROJGDLNMCOXTGX-HXUWFJFHSA-N 411.466 0.734 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=C\C(=O)NC3CC3)C2)C1 1778832536 BFCNUJJJIKIPBL-ZEGWDFLXSA-N 406.483 0.452 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)CCNC(=S)NC)C2)C1)C(F)(F)F 1779041771 LKSDKFUXXCGKNI-HNNXBMFYSA-N 408.446 0.419 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1779068832 HYCPICCYSPAKDP-NIRMNWTQSA-N 402.491 0.407 30 20 HCED CC(C)CNC(=O)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137448 ZIAQCEYKFHXSOC-XACCNFBGSA-N 404.467 0.301 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)C1 1780290603 CZTRXVZEOBKLNK-OAQYLSRUSA-N 408.414 0.608 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c(C#N)c1 1781173847 FRIZTCBKMIKMBJ-JOCHJYFZSA-N 423.473 0.987 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782017973 YPWPZLAUWOQFEZ-WHSLLNHNSA-N 415.446 0.451 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H](F)CN1C(=O)OC(C)(C)C)CCO2 1783050527 WHRVREDZNPPMRN-SIFCLUCFSA-N 409.458 0.797 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1[C@H]3c4ccccc4S[C@H]31)CCO2 1783563818 BBBFTRIDCDKAMM-HDAAZOAOSA-N 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419.522 0.902 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1831387202 ZWTYAVHJJFCBMH-VLIAUNLRSA-N 423.416 0.468 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)s3)C2)C1 1831387472 PVQLEYALJNAYJC-QRWLVFNGSA-N 422.503 0.865 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ccncc1)CCO2 1832705491 BFTWIMVJHRPMMO-LJQANCHMSA-N 404.492 0.934 30 20 HCED COc1cncc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1 1832919716 POPAOFJINPNBFF-MGPUTAFESA-N 423.535 0.798 30 20 HCED CC[C@@H](NC(C)=O)C(=O)N1CCC(N2CCC(NC(=O)C#CC3CC3)CC2)CC1 1833426783 LBMYBUVPURCIDS-HXUWFJFHSA-N 402.539 0.886 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1833439571 UGGVOWYXOQAYEP-MGPUTAFESA-N 422.482 0.090 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccon2)CCO3)cc1 1834481782 MUBHTSYKPDDSCL-NRFANRHFSA-N 410.430 0.859 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1835592044 HFEQLUWCBZSSIL-CSODHUTKSA-N 423.558 0.098 30 20 HCED 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CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 463394599 VSJLYASAYFSZBF-JKSUJKDBSA-N 402.480 0.916 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 463487904 BUAQZKHZAFJABE-LFGUQSLTSA-N 410.474 0.611 30 20 HCED CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 465490627 JRQCPRMKHKDLHS-GFCCVEGCSA-N 420.520 0.945 30 20 HCED Cc1cccc(C[C@H](CO)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 467321915 PXUPNRNMYYYNPA-GOSISDBHSA-N 418.457 1.414 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCC(=O)NCC3CC3)ccc21 471049355 WXPNWDYAKWYTAS-UHFFFAOYSA-N 411.462 0.850 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1C(N)=O 472204115 DOOJIYNYEDFPLJ-UHFFFAOYSA-N 402.480 0.518 30 20 HCED Cc1cc(C(=O)NCC(=O)N(CCC#N)CCN2CCOCC2)ccc1[N+](=O)[O-] 490649034 HRFRBFSIKULOHX-UHFFFAOYSA-N 403.439 0.708 30 20 HCED COc1ccc(CNC(C)=O)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 500074721 LEYYVEGROIZLSD-UHFFFAOYSA-N 424.523 0.568 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(CC#N)CC3)c2)C[C@H](C)O1 508052992 IDGNDYQXSNGVDZ-HOTGVXAUSA-N 406.508 0.766 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 511119822 AWWBFKVUSJOSQN-ZWKOTPCHSA-N 413.588 0.282 30 20 HCED CN(CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CCS(=O)(=O)C1 518336458 WASJVBRUQHNUDZ-CVEARBPZSA-N 408.499 0.901 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cc(F)ccc2OC)CC1 520775698 KPWDTNHJXZCNAC-AWEZNQCLSA-N 406.458 0.458 30 20 HCED N#CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCSCC1 534464784 MUKCNPWQGVCEEM-LBPRGKRZSA-N 408.505 0.592 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CCO[C@@H](C#N)C2)c1 535110545 JIFGNFLCWVJOGH-AWEZNQCLSA-N 423.495 0.530 30 20 HCED COC(=O)[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539450539 OPRXHPJGNFZOFP-MSOLQXFVSA-N 404.442 0.408 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1 540305176 HQLSFRRHDUIDOK-WCQYABFASA-N 410.500 0.282 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 542790908 YKDWHPOVLAZNDY-AWEZNQCLSA-N 417.484 0.512 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@@H]3CCc4n[nH]cc4C3)C2=O)cc1 550892147 PMODZNZOCYMJLQ-CRAIPNDOSA-N 406.446 0.567 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)c(F)c1 552810459 CQRJNNLEMMPMLE-UHFFFAOYSA-N 423.448 0.804 30 20 HCED C=CCn1c(CNC(=O)c2ccco2)nnc1N1CCCN(CCOC)C(=O)C1 557531905 YSNZHRLXWRXSDR-UHFFFAOYSA-N 402.455 0.672 30 20 HCED C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 571008625 BQZUOKPDSSXITM-RDJZCZTQSA-N 405.524 0.954 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@]1(C#N)CCOC1 572558498 DGDCVUOWDDCXRD-LJQANCHMSA-N 422.507 0.434 30 20 HCED C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 573109639 ISPGXDUITYPMJY-MRXNPFEDSA-N 419.507 0.876 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 573361436 HWQNLAGDBJUDBJ-WOJBJXKFSA-N 412.534 0.960 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 576311482 MEJUDBHIDVLWRI-KBXCAEBGSA-N 416.478 0.661 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)C1=O 581904090 ZOYVVPSHAWUEMH-DLBZAZTESA-N 404.511 0.529 30 20 HCED N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)o1 583223712 ITYWAXCNHRFIDR-INIZCTEOSA-N 403.416 0.966 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 585719039 HBPIVPZYSHDSFZ-INIZCTEOSA-N 400.479 0.765 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](C)C1 588122162 MBZUVNCIJANZAQ-OAHLLOKOSA-N 420.539 0.987 30 20 HCED CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588258438 HAUKULAGEWRAPE-RBUKOAKNSA-N 411.506 0.766 30 20 HCED Cc1ccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(N2CCCC2)n1 588761242 SNRIPIKQYPAHOE-UHFFFAOYSA-N 424.509 0.875 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2nc(C)c(C(=O)OCC)s2)C1=O 588996358 IZEFVIBHLMAACT-GFCCVEGCSA-N 408.480 0.490 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)Nc2ccccn2)n1C 589244435 ACARLYDSCXNHEK-CYBMUJFWSA-N 404.438 0.839 30 20 HCED N#CC1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 590487302 QELREEIETFKKTR-LBPRGKRZSA-N 418.397 0.600 30 20 HCED Cn1c(=O)c2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)cnc2n(C)c1=O 608950973 JWCQVLWHSYAYQN-UHFFFAOYSA-N 419.445 0.298 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(CS(=O)(=O)NC)cc2)CC1 670742320 QOKKILVWDGCCTP-UHFFFAOYSA-N 422.551 0.509 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O 726042388 BNOSKNDCYYCZHP-AWEZNQCLSA-N 403.391 0.932 30 20 HCED N#Cc1ccc(CN2C(=O)CN(CN(C3CC3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 726585296 OTYBDKVVKYGODX-KRWDZBQOSA-N 402.476 0.931 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc1 727013686 YBSJYKSNVKGYDD-UHFFFAOYSA-N 424.369 0.908 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731861667 JFOUMJSIPCWJJQ-FBMGVBCBSA-N 404.448 0.407 30 20 HCED CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 731863477 XFSGGJZYJFOVMW-ZPHPHTNESA-N 420.491 0.972 30 20 HCED C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCS(=O)(=O)N1CCOCC1 746595348 ODYBJCKTYDLGGE-UHFFFAOYSA-N 420.491 0.829 30 20 HCED CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 753358431 MUAADTVGALMCGB-UHFFFAOYSA-N 417.487 0.789 30 20 HCED C[C@H](CCCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 756327291 OLBJUPRSCXNUPQ-IQQDNESTSA-N 410.496 0.715 30 20 HCED CCC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)COC1 756560943 NGSDEPAULZDWFV-UHFFFAOYSA-N 421.475 0.361 30 20 HCED C[C@@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 763002855 BOHUVNOFCWTVMP-SPYINAPQSA-N 406.468 0.783 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 763326545 STAJSTJKXURMFH-UHFFFAOYSA-N 409.493 0.263 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCOC1 763457810 HVWWOOVWXSDERJ-INIZCTEOSA-N 414.531 0.560 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cccc(OC(F)(F)F)c2)c(=O)n(C)c1=O 771898355 XLNYIUCGRDPBER-UHFFFAOYSA-N 406.342 0.295 30 20 HCED C#C[C@H](C)NC(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 775375461 QEZFUDQMPPJJSX-ZDUSSCGKSA-N 407.471 0.085 30 20 HCED COCC[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(N)=O 775986544 LZTYXTWKLFRAKQ-YRHWPSCSSA-N 411.484 0.511 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1COC2(CCOCC2)O1 777022937 OMTLWWHRAYYOJZ-CYBMUJFWSA-N 409.464 0.154 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 783479895 GXYMWMXOFVXGPX-MRXNPFEDSA-N 419.503 0.802 30 20 HCED C#CCOCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 784593600 IKWSZYLHELLOQW-UHFFFAOYSA-N 407.492 0.066 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2)c1cc[nH]n1 787708069 FYWWCGOMCQZUPB-UHFFFAOYSA-N 400.395 0.773 30 20 HCED CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787786713 CBNIFKPTFCZVEV-HOCLYGCPSA-N 416.482 0.855 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1 789833608 HUTJMSYCRQETTM-HKUYNNGSSA-N 403.454 0.700 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799832851 FPGUOAYXWMQOKI-UHFFFAOYSA-N 408.358 0.451 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)c(F)c1 804055844 IMYSQHBWPVZBBX-IRXDYDNUSA-N 415.469 0.325 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccncc1 805815771 VHEUFEQSXIGPDJ-QGZVFWFLSA-N 408.462 0.658 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1)[C@H]1CCCO1 809310487 JMPJJEUTLJVSJR-JKSUJKDBSA-N 413.503 0.945 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 814545017 PPWWEBRBZICTIV-CYBMUJFWSA-N 418.855 0.390 30 20 HCED O=C(NCCS(=O)(=O)CCNC(=O)[C@@H](F)C(F)(F)F)[C@@H](F)C(F)(F)F 816523531 UKFVJLIJIZHALB-PHDIDXHHSA-N 408.267 0.434 30 20 HCED C=CCn1cc(C(=O)N2C[C@@H](OCC)[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 982927593 MDIUDQZSPMSPEW-IFCWYPFCSA-N 403.483 0.625 30 20 HCED C=CCn1c(S[C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)nnc1-c1cnccn1 1116305057 RVTSOXWQPVTPGI-RYUDHWBXSA-N 408.509 0.705 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](CO)Cc1cccnc1 1156926875 YYCCEJJEMZOXMK-WMLDXEAASA-N 402.476 0.587 30 20 HCED CN(C)S(=O)(=O)CCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1165559649 RJLMHGFDKOYDBM-UHFFFAOYSA-N 416.507 0.878 30 20 HCED CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1318475513 BBNDYGPOOMMEDP-CVEARBPZSA-N 418.475 0.799 30 20 HCED N#Cc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(I)c1 1321308802 FBYHTJVSCOMNSQ-SNVBAGLBSA-N 420.228 0.845 30 20 HCED COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1337443302 SEUNYCQMFIRZKT-QGZVFWFLSA-N 423.466 0.712 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1c[nH]nc1C#N)n2C 1533699375 VWMBKFNNKOLROJ-UHFFFAOYSA-N 401.452 0.990 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1555993527 PTLNJKMOUJUGDX-LSDHHAIUSA-N 413.413 0.736 30 20 HCED N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 1555995264 NYLVRJHIYNZHFP-INIZCTEOSA-N 423.539 0.679 30 20 HCED CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1617980913 MHBQJWJUQZHTLP-UHFFFAOYSA-N 412.479 0.792 30 20 HCED C[C@H](CC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1638347814 LHBDMWIRYFPPHV-MGPQQGTHSA-N 406.508 0.912 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(N4CCOC[C@H]4C)CC3)CC2)o1 1645881278 NMMIOELMQGNXLL-MRXNPFEDSA-N 416.526 0.688 30 20 HCED Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1693394739 NIFSBHZFZKCYPV-GXTWGEPZSA-N 406.516 0.825 30 20 HCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1711471468 VALXDHPPSONTBX-UHFFFAOYSA-N 407.438 0.997 30 20 HCED N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC1 1771539824 LZPWNLUCHOKRBE-CRAIPNDOSA-N 409.512 0.462 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)nc4ccccc34)C2)C1 1777762169 IUCVXYHHILPQFF-OAQYLSRUSA-N 409.398 0.472 30 20 HCED Cc1noc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779016960 XAWCYCNJCSKPJF-FUNKKEAFSA-N 404.471 0.222 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(=O)oc1)CCO2 1779062913 SOMBQZCXBMBCFB-QFIPXVFZSA-N 414.458 0.782 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1779332978 RUTGTIBZMMIDEI-BXTJHSDWSA-N 406.483 0.816 30 20 HCED O=C(/C=N/N1CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)no1)C2 1779365444 ADXKRQVFTMYIRK-JFVAUKISSA-N 419.482 0.979 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccnn2)C1 1779650175 OVMBWSNKDBYUIC-KVANESHQSA-N 413.478 0.463 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)no3)C2)C1 1779679899 JMTCCFRSNHKNBE-FQEVSTJZSA-N 412.402 0.774 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779883048 GUQMAPCJOZFOJH-FQEVSTJZSA-N 401.467 0.045 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc[n+]([O-])cc3)C2)c1 1779945124 LFHFNAQPZUWZJY-WIYYLYMNSA-N 409.446 0.961 30 20 HCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780175331 XYMQYNUSPZCVGX-AVBTWRTFSA-N 415.494 0.929 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1781267446 TXBLVYMOWQGCNM-LJQANCHMSA-N 406.439 0.518 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C(=O)OCC)CC2)C1 1781621980 JHLPXQKTCAUWMI-CSODHUTKSA-N 420.506 0.882 30 20 HCED Cn1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)COc4ccccc4C#N)C3)C2)cn1 1785382538 WBYUKSDLNZRXJU-QFIPXVFZSA-N 423.473 0.743 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ncccn3)[C@H]2C1 1785422157 ONCKVWJAANADHT-QAETUUGQSA-N 403.483 0.800 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1 1785539477 NRPWTQGHHWVJDM-KRWDZBQOSA-N 410.521 0.226 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(OC)n3)[C@H]2C1 1785807218 DLUBVDVERGXQLV-OVWQWFNUSA-N 401.463 0.722 30 20 HCED Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC4(O)CCCCC4)C[C@@H]32)cn1 1786034434 FEWGTTSMHKDYHA-WDSOQIARSA-N 414.506 0.712 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ncn(-c4cccc(F)c4)n3)C[C@@H]21 1786364404 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C=C(CC(=O)OCC)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnnc(Cl)c1 1794216130 XTYLOEBXXSPVKC-XOIINTDNSA-N 422.869 0.843 30 20 HCED N#Cc1cc(CC(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CC[C@@H](N)C(N)=O)ccc1F 1796085807 RGGLPIWMXALGJE-KYHPRHEASA-N 415.469 0.471 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)ccn1C)C2 1799304496 YJUZPBKBZUNWIM-CCWDJLKJSA-N 417.462 0.098 30 20 HCED C[C@@H](NC=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(C#N)cc1Cl 1799751245 VEQIPNZJBMUPIX-MBMVNNNZSA-N 404.854 0.549 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1800774619 NTAKIQMUZFGECV-YVWYUNDQSA-N 400.818 0.369 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C(=O)C2CC2)[C@@H]1c1cccnc1 1802475229 DIOGTUFUBVJJLU-ZRKWLUJRSA-N 410.474 0.925 30 20 HCED N#CCc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2C(=O)C=CC2=O)cc1 1802542028 XNYZXOGUZVFRQA-BCDXTJNWSA-N 406.442 0.929 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CNC(=O)O2)[C@@H]1c1cccnc1 1803640636 AKEPVBNUNMNLHD-SIXLDLHFSA-N 400.435 0.234 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cccc(=O)n2O)[C@@H]1c1cccnc1 1804946522 FVOLNZFYYWBNKU-SYNHAJSKSA-N 424.457 0.839 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CCC(=O)N2)[C@H]1c1cccnc1 1806820826 CCFZXZHKNLWTKW-MJQMVNBJSA-N 414.506 0.939 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)Cn2cncn2)[C@H]1c1cccnc1 1807598003 ZGYCGFPSPCQCAE-LRJKKDHCSA-N 423.477 0.238 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)Cn2cnnn2)[C@H]1c1cccnc1 1807607932 AFHFBMMQGFXYPZ-OIISXLGYSA-N 403.512 0.729 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)[C@@H]1c1cccnc1 1813338335 RUWMXCRTXNJRGN-HQRMLTQVSA-N 408.462 0.191 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2C1 1814042067 WQSCHLFDTOKYNO-BYOMZUQQSA-N 417.491 0.192 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CC(=O)NC2=O)n[nH]1 1815664431 XAPHITIMFSNESS-TZMCWYRMSA-N 418.454 0.545 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CCc2nc(N)n[nH]2)n[nH]1 1819282175 POBNGPINMDEKDF-TZMCWYRMSA-N 414.470 0.773 30 20 HCED N=C(N)NCC(=O)N1CCC([C@H]2CCCCN2C(=O)/C=N/N2CCCCC2)CC1 1828912775 IZZWEBQTUAQZLC-HIQXPHMNSA-N 405.547 0.561 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)CCO2)C1 1830906890 IHWQOULTCRRZMC-JUGMSXHOSA-N 418.406 0.961 30 20 HCED C[C@](O)(C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1)C(F)(F)F 1831209037 RVVXJKBEEWJKKF-DLBZAZTESA-N 404.385 0.170 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(OC)n3)C2)C1 1831421821 SMKNGMIUJNOMMT-KKSFZXQISA-N 419.478 0.751 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncc3F)C2)C1 1831428042 XZYNQHVRNMPGGR-FOIQADDNSA-N 407.442 0.882 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1831498057 IHUHLWJSGMVMAJ-NVXWUHKLSA-N 420.553 0.215 30 20 HCED CC[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N(CC)CC 1831664950 ZUOTYICATYBURQ-UWJYYQICSA-N 406.527 0.867 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1832425510 GZLAYSZDIRLZHQ-KXBFYZLASA-N 413.540 0.164 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)[C@@H](C)CC)C2)C1 1832446791 FVNXGMWEOKRRIE-VDZJLULYSA-N 400.541 0.769 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1 1832452938 KXHHKTKAYRHVMM-HNAYVOBHSA-N 413.540 0.229 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccnc3C(N)=O)CCO2)C1 1833314906 DFTUIENWJIWXLZ-YCRPNKLZSA-N 416.478 0.463 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C)n(C)n3)CC2)CC1 1833463478 MJWDDLSAOBQCPO-KRWDZBQOSA-N 415.538 0.952 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)noc3C)CCO2)C1 1834065120 NXFSSVHADFKOEF-KKSFZXQISA-N 421.494 0.935 30 20 HCED N#Cc1cccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)c1 1834097487 JSGWRVDQZHFUGR-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](C)CN)CC2)CC1 1834663403 WLWMLDNTOUBYKS-INIZCTEOSA-N 408.543 0.662 30 20 HCED CC(=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1834870116 USEMYJYCYMCSJO-JOCHJYFZSA-N 420.506 0.511 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCCC1)CCO2 1835128440 DICJLXXRGCEKMI-QFIPXVFZSA-N 403.523 0.732 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835375660 NLGDSPXEECFGKM-AZUAARDMSA-N 413.584 0.883 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1839451453 UEBNZDQFDGIWII-NRFANRHFSA-N 409.446 0.974 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4ccnn34)CCO2)C1 1839499774 WZNFYAIKJSQBJN-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nc4ccncc34)C2)C1 1840159850 PIQRFUAPOVXSIS-KPZWWZAWSA-N 405.480 0.346 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc4c3OCO4)C2)C1 1840161972 HUWLMYDWEWJLPC-KPZWWZAWSA-N 409.464 0.199 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C(N)=O)cc3)CCO2)C1 1840648697 YVSVVTJURFTINU-ORAYPTAESA-N 407.492 0.174 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1841615586 HHJQCDASNWFPNM-HNNXBMFYSA-N 403.504 0.985 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2cccc(=O)n2O)C1 1842211874 WKVFJJCUEZCLMF-PBGVMVHZSA-N 404.423 0.432 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299329 OYMBLBGVADQJOH-CBVHTYNASA-N 408.499 0.881 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN2CC(=O)NC2=O)C3)c1Cl 1844734511 KMEJSFBMPRNDSN-UHFFFAOYSA-N 415.837 0.580 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](COC)NC(=O)OC(C)(C)C 1847801591 PIAHHFHDTHVWDO-NCOADZHNSA-N 423.510 0.766 30 20 HCED C=C(C)CN(CC)C(=O)COC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 20889280 NIQJSNKYJFUIAT-UHFFFAOYSA-N 411.480 0.891 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 28675249 VLWUJMAQRZCGIK-CQSZACIVSA-N 419.459 0.959 30 20 HCED CN(CC(=O)Nc1ccccc1Br)c1c(C#N)c(=O)n(C)c(=O)n1C 30683110 RFJLMTMOTSRXMT-UHFFFAOYSA-N 406.240 0.793 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 143929938 PUJBWXJSLGRQDC-KRWDZBQOSA-N 400.435 0.745 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 410123054 OFONNKBCFIMBCC-SFHVURJKSA-N 407.540 0.954 30 20 HCED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 430502981 KIEYNXGRMDDRHK-IBGZPJMESA-N 414.853 1.320 30 20 HCED CC(C)OC[C@@H](CO)N(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 433661639 QCIUQAFMNSCFBZ-CYBMUJFWSA-N 403.414 1.066 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1 440947667 ZKNBRGUNCFIMNK-HZPDHXFCSA-N 422.507 0.592 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCN1CC(C)(C)O 445205482 VBWVFYKVJNWCLF-CQSZACIVSA-N 411.466 0.381 30 20 HCED CCn1c(N2CCOCC2)nnc1S(=O)(=O)CC(=O)Nc1cccc(C#N)c1 462972280 JFYNIIOJTGRTPM-UHFFFAOYSA-N 404.452 0.419 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 464471631 YQZQYRAKFUWJGN-SFHVURJKSA-N 420.535 0.286 30 20 HCED COC(=O)CN(CC#N)CC(=O)N1CCN(Cc2cc(OC)c(OC)cc2C)CC1 471157477 RQFDERWLVLDESD-UHFFFAOYSA-N 418.494 0.655 30 20 HCED COc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1-n1cnnn1 471996505 ZBOCLTORAXHZDG-UHFFFAOYSA-N 422.453 0.939 30 20 HCED CCN(C(=O)[C@H](C)N1CCN(c2c(C#N)c(C)nn2C)CC1)[C@@H]1CCS(=O)(=O)C1 472159684 RIZQIEOLIBZSEU-JKSUJKDBSA-N 422.555 0.146 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 475462997 IABXRGICFZIVHZ-UHFFFAOYSA-N 402.495 0.651 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)C(C)(C)C)CC1 480132256 FGDNVSYTXPDZIV-CQSZACIVSA-N 406.508 0.942 30 20 HCED COCC[C@](C)(O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 480231902 SBLXCNMOTSUONY-IBGZPJMESA-N 409.508 0.863 30 20 HCED CS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 486016081 LPWWJHKMLKAAJG-INIZCTEOSA-N 416.459 0.731 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487510420 DCLFHVSNIJWXOB-IRXDYDNUSA-N 419.507 0.382 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1Cl 487537433 PKEAFENSPYXJFB-UHFFFAOYSA-N 403.870 0.917 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#N)c2C)C1 488592404 GVXMFLGKDVSIGP-MRXNPFEDSA-N 422.507 0.704 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1 500684128 GHJUDPHCFLEWQG-OAHLLOKOSA-N 401.485 0.332 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 502232849 MTZBQKCOMAWVEW-MOPGFXCFSA-N 409.490 0.472 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(-c3noc(C(F)(F)F)n3)c2)n1 508334442 VTJCDFTXGIGLJL-UHFFFAOYSA-N 420.311 0.973 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OC 509705124 UBICOAHKEGTRKS-GFCCVEGCSA-N 420.871 0.731 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)n1 510480999 LMVUIUJJUVDYBR-UHFFFAOYSA-N 413.467 0.789 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 519559567 QWDHCRAPHZECSR-UHFFFAOYSA-N 406.490 0.980 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CNS(=O)(=O)c3cccnc3)C2=O)cc1 519607052 DHLLDDRVFKMNFH-QGZVFWFLSA-N 413.459 0.543 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c([N+](=O)[O-])c1 524963396 AHSQFRWYIXNROS-UHFFFAOYSA-N 408.417 0.865 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 526096732 DTIFIZGJFSOLKP-UHFFFAOYSA-N 410.438 0.084 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)O 548256921 HUVTUOUVSKZSFM-JTQLQIEISA-N 412.367 0.449 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 550466289 RHHNETQFRHHYLS-HOCLYGCPSA-N 401.529 0.404 30 20 HCED Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 555086935 GACTZIUDMOEKSE-LPHOPBHVSA-N 417.491 0.833 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 557768977 MCICTVMLIBZRHX-GOSISDBHSA-N 402.543 0.970 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NCCn3cnc(C#N)n3)c([N+](=O)[O-])c2)CC1 561397072 KMZCDZPZSAHRGJ-UHFFFAOYSA-N 420.455 0.106 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ccccc2C1 565630798 KKAKRJPVAZRBSI-AWEZNQCLSA-N 412.471 0.884 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)C1=O 566635017 QDAQRKUKUBHIHZ-ZDUSSCGKSA-N 408.842 0.631 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)c1 570744347 LFQNFEXRYBQFBZ-UHFFFAOYSA-N 407.478 0.293 30 20 HCED C=CCOC[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)O 577945960 AYMONTPRUQCBEO-HNNXBMFYSA-N 413.452 0.485 30 20 HCED COC(=O)[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 580013685 BWXZBCMTTDSAIP-JKSUJKDBSA-N 407.448 0.112 30 20 HCED CCC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 583637160 DIJHFMPGBUSBIM-HOTGVXAUSA-N 415.469 0.909 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 586851816 YENYOUTUEXSUJI-UHFFFAOYSA-N 400.483 0.317 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 588056078 UOXITEJLOPEIKK-PKOBYXMFSA-N 409.490 0.770 30 20 HCED CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 588771340 BGWPBIBXBFOXJD-GOSISDBHSA-N 420.473 0.595 30 20 HCED CN1CCC(N2CC[C@H](N(C)C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 589452645 HEPIKCQCUVYWCP-SFHVURJKSA-N 419.551 0.463 30 20 HCED N#Cc1cncc(S(=O)(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c1 589554539 ODSVJQUCYLTFME-UHFFFAOYSA-N 402.432 0.992 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 608796590 CQZCULPHFRDLOI-UHFFFAOYSA-N 407.430 0.710 30 20 HCED Cc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 608869196 SGNVYPDKCCMOJH-UHFFFAOYSA-N 420.535 0.981 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)co1 611114744 UDZBGMXMOSMCFY-UHFFFAOYSA-N 405.436 0.887 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3F)c2=O)cn1 732561332 MIBBDSDSZDSPAZ-UHFFFAOYSA-N 415.425 0.643 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 733170155 LCYLZQRCQIWONL-HNNXBMFYSA-N 407.540 0.115 30 20 HCED C[C@H](NS(C)(=O)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 733889391 QEFNTMGRLBHCDW-WMEZLHQCSA-N 402.498 0.376 30 20 HCED Cc1cc(C(=O)[C@@H](C#N)C(=O)NCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C 739154608 KZGJZRMPDOLCFG-CQSZACIVSA-N 405.414 0.580 30 20 HCED Cn1ccc(N2CCC[C@H](OC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2=O)n1 741829419 DWWUDVDZZNXAAZ-HNNXBMFYSA-N 417.447 0.309 30 20 HCED CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 742509327 NFRZVURXDULNOT-STQMWFEESA-N 413.521 0.539 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCOCC2)c1 747007812 KMBKUGULVBAFII-CAPFRKAQSA-N 408.480 0.687 30 20 HCED CNC(=O)[C@H](C)CN(C)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 747933136 ZABJIMOWPCBATD-HIFRSBDPSA-N 408.524 0.980 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(S(=O)(=O)CCOC)cc2)CC1 759288476 MHDBZXBUUYVJHA-UHFFFAOYSA-N 421.519 0.778 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1coc(C(N)=O)c1 760200607 KPRFNFHLWCTKFP-UHFFFAOYSA-N 424.369 0.915 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc3ncccc23)CC1 761036047 CTGDWJXHAIFVMN-OAHLLOKOSA-N 401.492 0.647 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc3ccccc3c2)CC1 761036298 CWTYNOPPULHKRG-IBGZPJMESA-N 403.504 0.665 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 761330406 DITMXYJTJCUILC-KRWDZBQOSA-N 408.480 0.950 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)cc1 775207959 GHZXNOZKHNODMH-HNNXBMFYSA-N 407.492 0.308 30 20 HCED C#C[C@H](N[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 775789647 MIKXAPXJKQQPNO-MNEFBYGVSA-N 421.519 0.805 30 20 HCED C#C[C@@H](NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775793708 NDLBIYHEORYGDW-MSOLQXFVSA-N 421.519 0.725 30 20 HCED C#CCN1CCN(C(=O)CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)CC1 778225588 LCZKWYKRYUDWRE-GOSISDBHSA-N 418.563 0.997 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)ccc1Cl 779857156 SXPOWRFLWGMFKO-UHFFFAOYSA-N 407.904 0.943 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CCN2CCNC(=O)C2)C1=O 781104254 PSFVTIDICQINCM-OAHLLOKOSA-N 421.498 0.634 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1C1CC1 782693314 RVTKVCGILSWGTF-UHFFFAOYSA-N 416.528 0.844 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 783349891 DGXOSSFTVFKYNL-UHFFFAOYSA-N 401.872 0.697 30 20 HCED N#CC1(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CCC1 784206285 ZWWVNVQFUMMZJP-UHFFFAOYSA-N 406.464 0.588 30 20 HCED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 785439327 QJZOPGNNDXCOSC-OAHLLOKOSA-N 420.535 0.827 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1 785660300 FRBQZBBLVCVSDR-MRXNPFEDSA-N 400.435 0.221 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786370642 ZCBYKHCPEFSPED-RRBLWZSXSA-N 405.451 0.525 30 20 HCED Cc1c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cccc1N1CCNC1=O 787453256 LRZSSQSHLGIZKJ-UHFFFAOYSA-N 407.434 0.958 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)[C@@H]1CCCO1 787497844 ASVAZVQPTOSNST-RTWAWAEBSA-N 412.534 0.737 30 20 HCED Cc1nn(C)c(N2CCN(CCC(=O)Nc3sccc3C(N)=O)CC2)c1C#N 788276464 SHTURIVERMHRIK-UHFFFAOYSA-N 401.496 0.911 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(N(C)C)n1 788340612 WBQYTKADXUSISR-UHFFFAOYSA-N 410.482 0.657 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2nc3ccc(OC)cc3s2)c1=O 788768658 IQDAKAIUFCYZAB-UHFFFAOYSA-N 410.480 0.410 30 20 HCED Cn1ncc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 792534684 MSMRMJCQMOFECK-UHFFFAOYSA-N 411.378 0.440 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCCC3)c1=O 793470453 ZEKKVNJENNRJPZ-UHFFFAOYSA-N 421.522 0.687 30 20 HCED COC(=O)c1ccc(Br)c(S(=O)(=O)NCCn2cnc(C#N)n2)c1 796142735 NJHAXCKJWXQZFR-UHFFFAOYSA-N 414.241 0.677 30 20 HCED C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 798747038 BNFSTLKSCKQFOS-RYUDHWBXSA-N 420.451 0.531 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CC(=O)N3CCCC[C@@H]23)CC1 799480033 DTNXPCGOFDXQJR-HNNXBMFYSA-N 406.512 0.570 30 20 HCED CCCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1)[C@@H]1CCS(=O)(=O)C1 801554680 NVMDBNATXLYDHK-VQIMIIECSA-N 419.551 0.889 30 20 HCED C#CCCCS(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 804956018 VRGRLZZPQBGGGJ-INIZCTEOSA-N 400.522 0.977 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c(F)c1 808957128 BGVFNGRQYAQCQF-UHFFFAOYSA-N 423.397 0.857 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]21 809523531 PWUFAGMXYLYYFM-RDBSUJKOSA-N 408.553 0.750 30 20 HCED C=C[C@H](O)C(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 814543663 BRIYNGZFJPGLAA-HIFRSBDPSA-N 412.464 0.433 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CCn2ncn(C)c2=O)cc1OC 815908544 DQOZYQJIYIIBMC-CQSZACIVSA-N 401.423 0.057 30 20 HCED C#CCN(C)CCCNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 818602787 FHYDXOMOLOLYPW-UHFFFAOYSA-N 407.536 0.711 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2ccc(=O)n(C)c2=O)cc1 915236966 HYTRSCZJASUGNW-UHFFFAOYSA-N 414.418 0.436 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC(C(=O)OC)CC2)c1 915625645 DWQCUIQIPUBRHJ-UHFFFAOYSA-N 421.519 0.603 30 20 HCED CSc1nnnn1-c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 915777643 MLYCITSPGUVFRC-UHFFFAOYSA-N 423.462 0.818 30 20 HCED CCc1ccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 916913174 NDIBNFHDDFKTND-OAHLLOKOSA-N 422.445 0.734 30 20 HCED CS(=O)(=O)N1CCc2c(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cccc21 1116585253 UVWLTSQWXBOOPK-ISLYRVAYSA-N 404.448 0.864 30 20 HCED C[C@@H](CCS(C)(=O)=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1253032859 BMTMSCYVZMWVMO-SWLSCSKDSA-N 406.464 0.703 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCCS1(=O)=O 1288087522 GLCHWDGWUGUXDT-UHFFFAOYSA-N 423.543 0.582 30 20 HCED COCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1301484527 PLTOIOKOPXXPPT-GJZGRUSLSA-N 409.512 0.726 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2CCOC[C@H]2C1 1507782295 ZMGQEEKMHXERFN-CHWSQXEVSA-N 411.304 0.659 30 20 HCED C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1511978828 QFSQCSLNEFROQR-AWEZNQCLSA-N 421.465 0.572 30 20 HCED COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1540760999 TYUNUUAAPFSUOZ-DOMZBBRYSA-N 418.837 0.455 30 20 HCED Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)cn1 1554328908 QCBRNPNJVOCXDM-UHFFFAOYSA-N 404.500 0.454 30 20 HCED N#CC[C@]1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1627464018 JMDPLPXNCOOBMZ-KRWDZBQOSA-N 413.883 0.852 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](n1cncn1)C(F)(F)F 1642669768 ONAHDGQIJDHHRW-GXFFZTMASA-N 416.385 0.736 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1726768636 WPUFTHPZIGQBLR-IXKJSCDLSA-N 413.475 0.162 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1748295856 PFXYSSHXOMPFOC-INIZCTEOSA-N 404.496 0.455 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(C)c2C)CCOC1 1767482824 LMYDPTPOKQCBMM-APWZRJJASA-N 401.471 0.749 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]nnc2C)C1 1777743750 LRHOQUORPRUQGW-BXTJHSDWSA-N 405.499 0.814 30 20 HCED 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IRBCDMKVWNVUNT-CQSZACIVSA-N 422.507 0.596 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)cc1 431191568 JKLVYZVJVPVWPK-IBGZPJMESA-N 423.517 0.910 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CCN1Cc1ccccc1 431210922 TURSNPXLNFUKMY-MSOLQXFVSA-N 409.490 0.540 30 20 HCED N#Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)s1 435432310 IHYPHWNFLYYPMF-UHFFFAOYSA-N 404.473 0.670 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2C)CC1 435834884 KNDQRRNVRQYTMX-UHFFFAOYSA-N 410.478 0.566 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 441678087 QXHJWGSARJGDIV-UHFFFAOYSA-N 411.384 0.796 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3CCOCC3)CC2)cc1 462446083 OUWHCWIBRYPFPR-UHFFFAOYSA-N 413.521 0.621 30 20 HCED C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C(=O)NC[C@H]1CCS(=O)(=O)C1 462796568 SLQZYRXINJPHFG-VXGBXAGGSA-N 417.447 1.366 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 465418923 DQPATUJZGMHJJX-HOCLYGCPSA-N 422.507 0.375 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cn2c(n1)SCC2 466342621 DZBRPPLWSDLDQL-LBPRGKRZSA-N 405.505 0.886 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@](C)(C(=O)OCC)c2ccccc2)C1=O 470837779 XSCVMKFRMRLAGJ-HXUWFJFHSA-N 401.419 0.600 30 20 HCED CCn1nccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472662235 YLFZVEZAHHNKAP-UHFFFAOYSA-N 409.493 0.470 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 475472606 VMJJUFDVVNLPFE-UHFFFAOYSA-N 405.451 0.815 30 20 HCED CCO[C@@H]1C[C@@](O)(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 476867716 HOOXQDDDTWHZMH-URKNILKWSA-N 409.508 0.907 30 20 HCED C[C@H]1CO[C@H](CO)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485229571 KBSYOZKYCLYWHW-GJZGRUSLSA-N 415.450 0.536 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 486471204 ZRXVFFALPFVNNO-MRXNPFEDSA-N 407.434 0.178 30 20 HCED N#C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C[C@]12C(=O)Nc1ccccc12 489061393 IBHCCONVWNMIGG-XMHCIUCPSA-N 415.409 0.854 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCCn2ccnn2)CC1 500291039 VCPOLPYATMKNCQ-UHFFFAOYSA-N 418.461 0.553 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)n1 508001081 MSWJVULJVXZWTL-HXPMCKFVSA-N 415.454 0.427 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)n1 510499943 HZZQVHBIFRPMGK-AWEZNQCLSA-N 423.355 0.931 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC1 517264041 KYZSGHQWLVCLEC-NDEPHWFRSA-N 402.520 0.620 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)C1=O 523001405 DOPIWGPJXQJHAK-TXEJJXNPSA-N 421.479 0.668 30 20 HCED COC(=O)c1cc(F)ccc1NC(=O)C(=O)N(CCC#N)CCN1CCOCC1 525844755 DPMNNQWZVKQPRY-UHFFFAOYSA-N 406.414 0.625 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1=O 538513497 MDOVRYSJLANLKJ-LBPRGKRZSA-N 416.297 0.955 30 20 HCED COC(=O)c1cn([C@H]2CCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)nn1 547281538 DCERMUNXBJOAMK-NSHDSACASA-N 420.407 0.870 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 556293844 WLZPCBSIBSDFEJ-UHFFFAOYSA-N 419.507 0.489 30 20 HCED Cc1cc(C#N)cnc1C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 556776591 HJGPZLUIABQPGY-UHFFFAOYSA-N 405.402 0.853 30 20 HCED CCN(C)Cc1cccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 560321398 QBIBRGKVFMLAKV-UHFFFAOYSA-N 411.510 1.023 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)c1C#N 562238943 AOBSAXGLKFOCFS-OAHLLOKOSA-N 419.555 0.742 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H](OCC)C23CCCCC3)CC1 563961927 AALNXYMUNDIZOJ-MSOLQXFVSA-N 420.554 0.677 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 572760685 VVEQVAQYCKCKJH-MVJQZIEYSA-N 417.535 0.798 30 20 HCED Cc1cn2c(n1)[C@H](CNC(=O)C(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCC2 574310601 UBBQOFODGTULIA-KRWDZBQOSA-N 407.478 0.801 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 577294840 VFTSZNWCIVPTNF-ZBFHGGJFSA-N 404.492 0.696 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1C1CC1 591000057 DSRMEKXDKDQPLF-UHFFFAOYSA-N 417.874 0.918 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(C(C)=O)CC2)c1 594347693 UWSSTQRAQHLBMC-UHFFFAOYSA-N 402.451 0.387 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC(N)=O)c2=O)cc1 608911782 PQUBLHSYETWUMA-UHFFFAOYSA-N 418.478 0.845 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2Cl)c(=O)n1C 609323719 SWHHBKIXHXHVKX-UHFFFAOYSA-N 419.890 0.923 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(=O)n(C)c1 610830440 UCVZOYUTZBGWHI-UHFFFAOYSA-N 410.434 0.718 30 20 HCED CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 611431166 WCVVPZHZVZDJSX-JKSUJKDBSA-N 408.524 0.967 30 20 HCED C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 612101226 PPMAFOAVHYFISQ-UHFFFAOYSA-N 421.519 0.965 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)c(C(N)=O)c3)C2=O)cc1 617091878 MZGPYLKWPBNGOU-QGZVFWFLSA-N 423.404 0.652 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccc(CC#N)c3)CC2)cn1 619486472 VQHWDGHFSOCQMI-UHFFFAOYSA-N 423.520 0.618 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 670213095 VQFRSYSQMSZDDF-OAHLLOKOSA-N 420.543 0.889 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1 728636704 ZNQIMJKNRGTFQV-OAHLLOKOSA-N 402.407 0.739 30 20 HCED N#C[C@H](C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908410 KJMLVTKZTKNPNO-DLBZAZTESA-N 406.460 0.824 30 20 HCED C[C@@H](COc1cccc(C#N)c1)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C 733863769 RQIJFAOHYGNVGY-ZDUSSCGKSA-N 411.418 0.706 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)nc2Cl)CC1 735921472 KFIPWHZHWAJWHN-UHFFFAOYSA-N 405.307 0.834 30 20 HCED COc1ccc2cc(NC(=O)C(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc2n1 737304887 DBXLSRPOAWBQIJ-ZCXUNETKSA-N 409.402 0.825 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 741372158 IIOHFOSTRALEKU-IBGZPJMESA-N 410.471 0.663 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745496748 PAGQWJZANXKSKU-NEPJUHHUSA-N 422.463 0.447 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCC(=O)NC(N)=O)c1 747249427 OBOSGPWAEHUSRQ-BKUYFWCQSA-N 410.456 0.206 30 20 HCED COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1cccc(C#N)c1 751675190 VMJMGENOZNSEIH-KRWDZBQOSA-N 416.411 0.888 30 20 HCED Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(Br)c1 753714865 QFCRUUOFMFIAFK-UHFFFAOYSA-N 415.269 0.467 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)[C@H](C#N)C1 754378380 FCYCCPQPKBKZPN-CYBMUJFWSA-N 405.455 0.822 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)C1 757588664 DRMCNGXSFDZZMP-CABCVRRESA-N 408.480 0.964 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(CC)cc2)c1=O 758077053 NEVCRCYVXKLPTA-UHFFFAOYSA-N 409.511 0.761 30 20 HCED COC(=O)c1cc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 758641926 DBHDPHAMIMFRTJ-WCQYABFASA-N 412.468 0.849 30 20 HCED C#CCN/C(S)=C(/C(O)=c1ccc2c(c1)CCC(=O)N=2)n1ccc(=[N+](C)C)cc1 759057450 DAMKTTLQELSDMC-UHFFFAOYSA-O 407.519 0.257 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 761033165 SWHGEOCANVCJKX-LSDHHAIUSA-N 412.943 0.991 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 767078518 OVJHTJGZFBZWOE-UHFFFAOYSA-N 410.474 0.428 30 20 HCED CS(=O)(=O)Nc1ccc(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 767751299 PKKFZGRPQNLQJY-UHFFFAOYSA-N 418.523 0.836 30 20 HCED COc1cc(OC)cc([C@@H](O)CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c1 768080903 XDGTUORROBVAHG-INIZCTEOSA-N 401.423 0.911 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2ncnc2C1 771625548 MDWWYFOFPRBHAY-CQSZACIVSA-N 402.480 0.774 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C[C@H](C)O)CC1 779189935 OODLCAABIOAXAU-DOTOQJQBSA-N 422.551 0.809 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(Br)n2)CC1 781965001 OLNXCKRZSPTUBE-UHFFFAOYSA-N 409.284 0.750 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782087410 FZLYAKAEBBOCEX-CABCVRRESA-N 422.507 0.113 30 20 HCED O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)NO 782172831 BZMLWCMUSMDFOW-UHFFFAOYSA-N 420.285 0.568 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 782987845 RUUSYRJZBNXUOC-UHFFFAOYSA-N 400.482 0.273 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)ccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 783480862 MNNZAPUQNBUDHH-LBPRGKRZSA-N 408.432 0.069 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 783547979 VCFSCMRFHUYLTD-CGQZWFTASA-N 419.503 0.507 30 20 HCED C#CCN1CCC[C@H]1C(=O)NCCc1csc(NC(=O)[C@@H]2CCCN2CC#C)n1 787692679 XFDDSGNZZXJKAL-ROUUACIJSA-N 413.547 0.936 30 20 HCED C[C@H](CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 788011597 LNVKODBJNKQEAH-ZOPJHEKZSA-N 404.492 0.616 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCCNS(C)(=O)=O)C1=O 790722965 ADXOLXUEBGHCAE-LLVKDONJSA-N 404.539 0.755 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 805916194 SKVPDPMFUIDIRY-UHFFFAOYSA-N 411.505 0.280 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 806967791 SVDWNPPNIQGWSW-UHFFFAOYSA-N 400.254 0.976 30 20 HCED CN(C)CC1CCN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 807366731 HNEVPURHIJCGFS-UHFFFAOYSA-N 424.509 0.683 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 918843724 RHYRGGCYPXWNND-UHFFFAOYSA-N 423.491 0.935 30 20 HCED CNC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 919667533 XWMPFPMNZLPTJW-CQSZACIVSA-N 407.448 0.313 30 20 HCED CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1166628886 JOSGRYMDHYCTJE-CYBMUJFWSA-N 409.464 0.294 30 20 HCED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1255031335 NEFYAHFYNUSMAZ-CYBMUJFWSA-N 417.509 0.752 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccnc1 1288870805 QXGHLAHDOHCJBN-UKRRQHHQSA-N 405.484 0.255 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)nc1 1322479454 NCJGVLUWNIVDMO-CQSZACIVSA-N 402.432 0.723 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCn4ncnc4C3)CC2)cc1 1338233020 BZZALICKYGNINU-UHFFFAOYSA-N 400.464 0.593 30 20 HCED C[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1nnnn1C 1345074425 KYRYSARGSVILRS-BTNWAMHGSA-N 406.472 0.906 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccco1 1510217882 LHUIZAUALWGWTH-HIFRSBDPSA-N 419.511 0.706 30 20 HCED CC(C)NS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1541712494 YUKHBLDHCFEZIV-CQSZACIVSA-N 423.543 0.687 30 20 HCED Cn1cc(N2C[C@@H](C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2=O)cn1 1568504889 IOMSCPRTGWOYRS-FUHWJXTLSA-N 406.446 0.562 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)CC1 1611253234 RGCODGZCEUAIOT-YJBOKZPZSA-N 408.524 0.652 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1620167676 KYMHYDZIUWFEKU-ZBFHGGJFSA-N 408.528 0.946 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@](O)(CC#N)C3)c2)C[C@@H](C)O1 1630966885 WBXUDTCRDLNXIH-CLCXKQKWSA-N 407.492 0.975 30 20 HCED CN(C)c1ncc(Br)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646148787 WJGLOHOBCWVMRX-UHFFFAOYSA-N 407.228 0.474 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCS(=O)(=O)N(C)C 1666455828 MGBPWFQWKKOZDS-UHFFFAOYSA-N 402.542 0.143 30 20 HCED COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1697075260 PFYSASUOINTHSO-UHFFFAOYSA-N 407.438 0.882 30 20 HCED C[C@@H](CN1CCOCC1)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1706826635 WTOIMGGAAOOHGM-PKOBYXMFSA-N 411.510 0.961 30 20 HCED N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1712884353 KLACKSFCMLOBLD-DLBZAZTESA-N 416.507 0.960 30 20 HCED CNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729723236 ZAVSAOWKVNSTFX-MRXNPFEDSA-N 410.482 0.511 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1747194909 PKEGTCNKHUDENQ-MRXNPFEDSA-N 410.482 0.533 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4c(F)cccc34)C2)C1 1778638035 OXYYSHOHWBILHE-LJQANCHMSA-N 400.366 0.234 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778846286 KCVGFJIFNXMNJJ-NNMXDRDESA-N 422.570 0.339 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CCO[C@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1 1778939074 JJMWAEBCNFOTKK-HXUWFJFHSA-N 418.570 0.743 30 20 HCED Cc1cnn(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)c1 1779065236 XGEQRYFYFWRNJY-JOCHJYFZSA-N 414.506 0.720 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2 1779101456 PRGQHIPIMWCKCY-HRWQOHGTSA-N 403.439 0.449 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C2 1779329868 DSNSOPJUWTYJKP-DRSNIGMVSA-N 423.554 0.988 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)COCCO)C2 1780738287 MQVHQLZBPIDAOB-OXQOHEQNSA-N 412.483 0.019 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)c2ccnn2C)CCO3)c(C#N)c1 1781174769 ROEQPTSLSDBOMU-JOCHJYFZSA-N 423.473 0.987 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cnc(O)nc3O)CCO2)C1 1781399962 GPIFIECCMOZWLK-KZULUSFZSA-N 407.427 0.132 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1781400815 PUQKRTDPVJPASQ-LRDDRELGSA-N 405.398 0.727 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc3c[nH]nc13)C2 1782010333 NNDUKYGHUUPAKH-IIBYNOLFSA-N 410.430 0.778 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCOC2)C1 1782687115 QBNMDOFLNYPRNB-IULCACKDSA-N 405.495 0.395 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1 1782961284 NWIDULPGRBKHJO-XJKSGUPXSA-N 406.451 0.605 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3cc(C)c(O)nc3=O)CCO2)C1 1783118970 QZBVUROBNLUYHO-JLTOFOAXSA-N 404.467 0.299 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1783566518 WESLVIDJCKVNDA-LJQANCHMSA-N 400.366 0.234 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1783766715 OEOKIBSWBCMRIU-MRUHUIDDSA-N 424.542 0.881 30 20 HCED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)CNCP(=O)(O)O)CCC2)cc1 1786358650 WVRMEKCJMPKYQY-CQSZACIVSA-N 423.406 0.884 30 20 HCED C#CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H](O)N3CCOCC3)CCC2)cc1 1786359902 XIDKMSBVVJDZNU-IERDGZPVSA-N 415.490 0.809 30 20 HCED CC(C)(O)CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1786655944 BREFZGHYECEEDG-BZSNNMDCSA-N 406.523 0.826 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)C[C@@H]21 1786859396 GRWHVICSPOJZNQ-BQFCYCMXSA-N 412.494 0.762 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cc[nH]n3)C[C@@H]21 1788661049 WGMLYDSTFJZUAT-LLKPKCAWSA-N 419.482 0.461 30 20 HCED O=C(COCCO)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 1789913768 TXXJXODQTOEDJW-WDSOQIARSA-N 420.893 0.680 30 20 HCED Cn1nc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2ccc(CC#N)cc2)C3)cc1O 1794326396 YGOXLYJZABNRAA-HGKCTWBKSA-N 409.446 0.709 30 20 HCED N=C(N)SCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795588569 SKVSSKTUCRSMRJ-JLVBRIDZSA-N 422.551 0.291 30 20 HCED C=C(C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)Nc1cnccn1)C(F)(F)F 1797778744 CCVXGJFMLYAMGI-XPCVCDNBSA-N 413.400 0.985 30 20 HCED Cc1c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)/C=N/O[C@H]2CCCCO2)cnn1C 1797810988 BWKZFGBFDTWCPO-KIYQGWNUSA-N 419.482 0.461 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3cnc(O)[nH]3)c2c1 1798182158 URBHVTXLYJEFFJ-DRXBFXEBSA-N 421.417 0.380 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)Cn1cc(C)c(O)nc1=O)C2 1798398887 NOONDPYNUBAWRL-FZKCQIBNSA-N 418.494 0.469 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1[nH]cnc1-c1cccnc1 1798490663 LNRMDTIKNTYZPH-NRSFXHEJSA-N 423.473 0.713 30 20 HCED Cn1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/O[C@@H]2CCCCO2)cc1O 1798491782 JKVBVAPALLDGAE-MLFJBSEGSA-N 405.455 0.907 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(=O)ccn1C 1798529659 XZZCWGAWPQWIHM-AFIMGQEJSA-N 404.467 0.389 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2)c1ccc(O)nc1 1798640042 SHZRJAIGHGDSRM-XEMDLRDOSA-N 413.474 0.689 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H]2COc4ccccc4O2)C3)c1 1798691269 WAOPWBFJRBPULK-HRYATBACSA-N 422.441 0.930 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H]2COc4ccccc4O2)C3)c1 1798691273 WAOPWBFJRBPULK-VZJWBNGJSA-N 422.441 0.930 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC(c2ccccc2)=NN1 1800153716 SADNJEOEZMGFIJ-WJLOEWIOSA-N 424.501 0.381 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)OC(C)(C)C 1800672414 ONWJGYJHGKHCOI-MPTYRVRUSA-N 409.483 0.139 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1800991613 BVASDOWQHZRJQB-CWPLJXCYSA-N 422.485 0.940 30 20 HCED C=CCC(F)(F)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C2 1801694280 XNOHDMSYFILULD-QDMKHBRRSA-N 419.494 0.566 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1802686104 XORYBVBIPJAEQN-WMLDXEAASA-N 412.450 0.189 30 20 HCED O=C(C#CC1CC1)NC[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cccnc1 1803445529 DTRWABIDMNOJOM-OXQOHEQNSA-N 409.446 0.053 30 20 HCED CNC(=O)CC(=O)NC[C@@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1803478661 CLACBHPZYPUFEX-GJMNYFFTSA-N 414.510 0.695 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cncn2C)[C@H]1c1cccnc1 1805808330 QYBDQCGHZNGCKV-KVANESHQSA-N 422.489 0.993 30 20 HCED C[C@H](C(=O)N1CC[C@H](CNC(=O)CC#N)[C@@H]1c1cccnc1)[C@H]1SC(=N)NC1=O 1806281594 LMONFYFSCWOSGG-RUAUBTSSSA-N 414.491 0.804 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)Cc2cn3c(nc2=O)SCC3)[C@H]1c1cccnc1 1807367516 OLGJMZBTISYUJZ-DNVCBOLYSA-N 423.498 0.626 30 20 HCED C[C@H](NC=O)C(=O)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1808369352 DIKHJZLNZKJCQJ-ZSRYOTPESA-N 414.510 0.694 30 20 HCED CN1CCN(CC(=O)NC[C@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2c2cccnc2)CC1 1809598176 GXDWXVUMFFRWPQ-QUCCMNQESA-N 412.538 0.885 30 20 HCED C[C@H](S)C(=O)N1CC[C@@H](CNC(=O)Cn2ccncc2=O)[C@@H]1c1cccnc1 1812344834 BZWHYSBVGZTRMT-YEWWUXTCSA-N 401.492 0.663 30 20 HCED CC[C@H](NC(C)=O)C(=O)N1CC[C@H](CNC(=O)C#CC(=O)O)[C@H]1c1cccnc1 1812872467 FDCFMVUCTIETDR-JTDSTZFVSA-N 400.435 0.090 30 20 HCED C=CCSCC(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@H](N)C(N)=O)n[nH]1 1817353975 WEYUGBMLOHLSIU-JSGCOSHPSA-N 408.528 0.914 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C[C@@H](NC)C(=O)O)n[nH]1 1817363784 DZVDZUGYUNTDJI-YUELXQCFSA-N 405.455 0.503 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1c1cc(NC(=O)c2ccc3ncnn3c2)n[nH]1 1819215777 BYHGCYZHVRKIDG-AWEZNQCLSA-N 407.390 0.846 30 20 HCED CCOc1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)nn1 1820373587 XZRIRCPLHZVNPA-CQSZACIVSA-N 412.406 0.992 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CNC(=O)C(F)(F)F)n[nH]1 1822444301 QNEXSNOWWBCTBP-SNVBAGLBSA-N 415.328 0.168 30 20 HCED COC(=O)NCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1cc(C#N)c[nH]1)CC2 1826503179 FEHWWJJAGSWKCF-SNVBAGLBSA-N 402.436 0.925 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCC([C@H]4CCCCN4C(=O)[C@@H](N)CN)CC3)c2c1 1827585531 TUSWDGCWOXKFEF-PKOBYXMFSA-N 423.521 0.954 30 20 HCED CN(C)c1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)cn1 1830060699 ZXDXGGLDZQQSCK-NRFANRHFSA-N 415.494 0.767 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])o3)C2)C1 1831385741 FNDQAPPHEWEZTD-AUUYWEPGSA-N 421.406 0.296 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)cn3)C2)C1 1831427005 OSMLDKPMWAXNRV-IERDGZPVSA-N 419.478 0.751 30 20 HCED C=C1CC(C(=O)N2CCC([C@@H]3CCCCN3C(=O)CN(CCO)CCO)CC2)C1 1831483194 LYJPROFLWGCDDU-FQEVSTJZSA-N 407.555 0.859 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnn(C)c3)C2)C1 1832452254 UXKYWDXJQUMDRD-FQEVSTJZSA-N 422.551 0.728 30 20 HCED CC[C@H](NC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833094118 FXHWOJAQVWPHJJ-SFHVURJKSA-N 403.527 0.776 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncn(C)n2)CCO3)c1 1833883233 PXMRWGVDCPPQMQ-OAQYLSRUSA-N 424.461 0.379 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3ccc(O)nn3)CC2)CC1 1834068387 UYMUBSNAAAUUSX-HNNXBMFYSA-N 415.494 0.406 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)cn3)CCO2)C1 1834473068 MKIBXQCLDNIVFW-YWZLYKJASA-N 407.442 0.882 30 20 HCED C=CCCc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)=O)CCO3)C2)c(O)n1 1834710298 VMYAIDSQTDXGMJ-OAQYLSRUSA-N 417.462 0.565 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835356790 LRGQFYYIVVFXGI-NRFANRHFSA-N 403.479 0.445 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835885628 GERFPKBXCIEHBT-LAUBAEHRSA-N 411.543 0.404 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cc(C)cn1)CCO2 1836195769 YFAQKNCYPFSMJO-OAQYLSRUSA-N 420.510 0.631 30 20 HCED Cn1ccnc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561477 NQCUCBKSQOZEEI-XACCNFBGSA-N 415.450 0.202 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5ncsc5[nH]4)CCO3)C2)CC1 1837750063 GNXNMGIDNAQQIU-IBGZPJMESA-N 415.475 0.998 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(F)nc4)CCO3)C2)c1 1837847319 YFKXIAXDFQLQKI-HXUWFJFHSA-N 413.409 0.804 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838386775 PMVAJQSMNRNDHX-INIZCTEOSA-N 410.515 0.226 30 20 HCED COC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)ON=C(C)C)CCO2 1839224671 WWSDUJPGCMKDBC-KXBFYZLASA-N 413.471 0.197 30 20 HCED Cn1cc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)ccc2n1 1839504482 IKOBXAWOKQLJGL-JOCHJYFZSA-N 423.473 0.947 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1)C(F)(F)F 1839891838 BCNTUBCIJKCYOL-KRWDZBQOSA-N 414.384 0.974 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1)C(F)(F)F 1839893055 KRTIMPUCFVDTQJ-QGZVFWFLSA-N 421.416 0.334 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CC(C(=O)OC)(C1)C3)CCO2 1840006697 MRYGQBZKJULTGW-CBNMVNINSA-N 404.463 0.200 30 20 HCED Cc1c[nH]c(C)c1CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840039934 KJNCVARKGVFZOQ-OAQYLSRUSA-N 417.462 0.109 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CSCC(=O)OC)C2)C1 1840166516 MWRCPMGDMKUIRE-IBGZPJMESA-N 412.508 0.153 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1 1840294464 DFUWPNFVILYTTE-XLIONFOSSA-N 403.483 0.489 30 20 HCED C[C@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840422539 BRJVKIZIFLVGKF-KKSFZXQISA-N 416.478 0.855 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840466356 AQWJYBQSYPUNFN-SFHVURJKSA-N 412.437 0.630 30 20 HCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)ccn1 1840814481 LTZUQVTUKCSVCY-NRFANRHFSA-N 414.462 0.854 30 20 HCED CC[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)COc3ccccc3C#N)CCO2)C1 1840818039 GZUBRSAUPIDFFS-UTKZUKDTSA-N 417.462 0.164 30 20 HCED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840818884 CULATBZPZQWKBC-HXUWFJFHSA-N 403.435 0.040 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCC(=O)N2)C1 1842738119 NITJSTIGDNQUHX-CABCVRRESA-N 418.494 0.385 30 20 HCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC3(CCCN3C(=O)CCC#N)C2)C1 1842814604 UTXSKKBJKMYQLC-HXUWFJFHSA-N 406.483 0.865 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2nc(O)n3c2CCCC3)C1 1844395997 GZJRONPXOCQXQF-FPLPWBNLSA-N 413.478 0.600 30 20 HCED CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)N2CCCC23CN(C(=O)CN)C3)CC1 1845137098 GDGRXDNHXINDET-UHFFFAOYSA-N 405.499 0.689 30 20 HCED CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846194657 BUNJXZBWTSLGCM-CJNGLKHVSA-N 423.466 0.206 30 20 HCED C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O 1847446167 KYPUYFBOCMTKOD-IKGGRYGDSA-N 417.462 0.370 30 20 HCED C[C@H](NS(C)(=O)=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 47830176 QMMZVNLPOUCMBN-NSHDSACASA-N 408.459 0.452 30 20 HCED CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H](C)C#N 49982505 QPEVJDVOTGZMKA-MRXNPFEDSA-N 408.524 0.805 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCO[C@H](C(N)=O)C1 51890210 DOPIGKZXGUFRPL-INIZCTEOSA-N 409.402 0.705 30 20 HCED COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1 63765586 BNDORMKZOMXHHT-UHFFFAOYSA-N 414.443 0.925 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)CCO1 409502150 SGNXKZMVGDKQBP-GOSISDBHSA-N 406.508 0.623 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 409522370 YDJNCVXAVZMOLX-MRXNPFEDSA-N 413.931 0.964 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)C1=O 410177485 FEFLTRGIZZXDHN-MRXNPFEDSA-N 423.539 0.375 30 20 HCED CN1C(=O)C[C@H](C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)[C@@H]1c1cnn(C)c1 428790458 BOPBUYOEOYTIGY-OFFWNCNGSA-N 418.457 0.812 30 20 HCED N#Cc1c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@H]3C2)sc2c1CCCC2 428803775 RUJNJJNTUYOKOY-LBPRGKRZSA-N 401.492 0.470 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c(F)c1 433517772 MZYPOTVEFUBKPY-LBPRGKRZSA-N 401.350 0.921 30 20 HCED C[C@H]1CC[S@@](=O)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 433538811 PIVYATQSYGGDEX-JNFKXCBWSA-N 403.439 1.191 30 20 HCED Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 434951275 PHFFLIYNHJIMSI-MRXNPFEDSA-N 409.450 0.826 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CCCC(=O)N3)n2)c(Cl)c1 435228784 YCZUWRMHTNSRHL-LBPRGKRZSA-N 400.826 1.121 30 20 HCED CNC(=O)CN1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 435587250 BZWDGCWNGOINNF-UHFFFAOYSA-N 401.467 0.611 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 441960135 SRDKFDXRJIYKAG-ZDUSSCGKSA-N 412.471 0.440 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1C 442349608 LROMARYZBGCPCI-SNVBAGLBSA-N 404.452 0.093 30 20 HCED CCOCCOC1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 442417210 ISWKXCHLBSDQHX-UHFFFAOYSA-N 401.398 1.085 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 460727152 ODZIFBXDXQFEQU-OAHLLOKOSA-N 407.434 0.656 30 20 HCED N#Cc1ccc(OC2CN(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)C2)cc1 461996900 WLSNBMNYHQJPRK-QGZVFWFLSA-N 422.507 0.819 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)n1 465310769 DTTLSDIDQDPRAM-UHFFFAOYSA-N 407.333 1.382 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)on2)c1 468254141 ZQCYVRSANRNOFR-UHFFFAOYSA-N 409.446 0.830 30 20 HCED CCn1c(CN2CCOC[C@@H]2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 471227891 UHSJUCVIYISOLW-HNNXBMFYSA-N 419.507 0.801 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478006562 ZZNOVMHAJVNQJU-KRWDZBQOSA-N 422.551 0.491 30 20 HCED Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C)c1=O 478851207 UMVQDDJVZXDLTI-UHFFFAOYSA-N 407.499 0.969 30 20 HCED CCN(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 490118035 NMXHZITVBSOSGF-HNNXBMFYSA-N 401.510 0.530 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 499678342 QTGOBIZQGJOOLA-NSHDSACASA-N 410.468 0.559 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@]2(CCCOC2)C1 506222441 HUQUNIHHTLYXAW-HXUWFJFHSA-N 410.434 0.794 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 509400581 FNDVFFCBZUWIOB-AWEZNQCLSA-N 416.525 0.276 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c(F)c2)c1=O 514919850 ZJGWLWRPGAXDMU-UHFFFAOYSA-N 419.478 0.733 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnc(SCC(N)=O)s2)CC1 537070467 FLUBFQHJOUQXEN-LLVKDONJSA-N 414.582 0.900 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C 550413283 TXPACYOKAURRME-MRXNPFEDSA-N 411.510 0.544 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@H](C)Cc1c(F)cccc1F 551587837 ITPSDRBFEMHEEP-SNVBAGLBSA-N 400.407 0.969 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 556326404 GOJFZICOWLCUBI-OAHLLOKOSA-N 411.418 0.992 30 20 HCED Cn1ncc(C(=O)NC[C@@](C)(NC(=O)c2cnn(C)c2C#N)C(F)(F)F)c1C#N 560140168 DXKKALVSXUSSIQ-OAHLLOKOSA-N 408.344 0.378 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCc2cccc(Cl)c2)CC1 560743916 DPCVIMCGLGOPGZ-UHFFFAOYSA-N 406.914 0.835 30 20 HCED C=CCCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 562162183 QNIGCMDCYBDMRY-KRWDZBQOSA-N 416.526 0.871 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)C1=O 563909424 HPIZCGBUASZUEZ-SJORKVTESA-N 404.511 0.672 30 20 HCED COC(=O)CC1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 564532124 BLYMEVIWBQMEKC-UHFFFAOYSA-N 409.464 0.313 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 566997754 YXCXTNFWEOLFSF-UHFFFAOYSA-N 421.505 0.765 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 582798912 DCQFUNIRVROWFS-UHFFFAOYSA-N 412.412 0.768 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@@H](C(N)=O)O1 589405518 SBBXUBQPPUQDKA-PXAZEXFGSA-N 409.402 0.785 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(C(N)=O)cc1 608827945 AFGPPDZALTYKQE-UHFFFAOYSA-N 418.478 0.555 30 20 HCED CC[C@@H]1CO[C@@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610863151 SDIJSQVALWAMJN-FUHWJXTLSA-N 420.535 0.890 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CN(C)CCO1 611610990 WQUNABFJLGUACM-LRDDRELGSA-N 400.414 0.657 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](n3cncn3)C2)CC1 614418804 AZQWSVQSKLGYRA-OAHLLOKOSA-N 422.449 0.993 30 20 HCED N#C[C@]1(F)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 615824532 JSXAQUHFFXEIFW-DETPVDSQSA-N 412.399 0.183 30 20 HCED COC(=O)Cc1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 616499589 NHANIXGIBVVFBR-GFCCVEGCSA-N 402.432 0.974 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(S(=O)(=O)NC2CC2)c1 732416269 NYFPBRQCLLFWQU-MSUUIHNZSA-N 419.463 0.775 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(c3cc(C)cc(C)c3)C2=O)CC1 733148731 JXUMJEQHCKJDNV-HXUWFJFHSA-N 410.518 0.940 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)CS(C)(=O)=O)C1=O 733200467 DBFLQZDWIMEDRU-CMPLNLGQSA-N 414.509 0.591 30 20 HCED CNC(=O)NC(=O)[C@@H](C)OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733829960 CHJNHYBWHDTGCE-MFKMUULPSA-N 401.379 0.151 30 20 HCED COC(=O)c1ccc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)o1 734750304 PMEIHOYXHXQOES-UHFFFAOYSA-N 407.452 0.843 30 20 HCED C[C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N(CCC#N)c1ccc(F)cc1 735148252 AZEJDUUYDLVRIP-GFCCVEGCSA-N 402.382 0.715 30 20 HCED C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC[C@H]2CCCN(CC#N)C2)C1=O 742184328 SIFURJPVXPTCDK-VLIAUNLRSA-N 401.442 0.944 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 744033679 VDUXGKFGABAHHA-FGTAOJJYSA-N 411.414 0.895 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1 745538865 JWUIFPVKPQEFLE-UHFFFAOYSA-N 415.424 0.244 30 20 HCED CCn1cc(S(=O)(=O)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cn1 749217740 QGYIPEQVIAMCFP-UHFFFAOYSA-N 401.452 0.872 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC(N(C)S(=O)(=O)CC)CC2)c1 749728991 URXSPOANUDMVBR-UHFFFAOYSA-N 407.492 0.910 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@](C)(O)CN(C)C 752478613 HZBGBVZLCCNOIB-KXBFYZLASA-N 410.540 0.569 30 20 HCED C#C[C@H](CC)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 754379101 HELOLIWDDUDRGU-UKRRQHHQSA-N 420.940 0.950 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)CC1 756959480 LDJYUYLYVGENIW-GJZGRUSLSA-N 402.495 0.721 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(CC)cc2)c1=O 758051638 WZCIWPCQIDJXBX-UHFFFAOYSA-N 407.495 0.467 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccnn2CC)c1=O 758070800 YAQVSNNCLIVSSD-UHFFFAOYSA-N 419.514 0.629 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nnnn1CC(F)(F)F 758346301 ZFRQCMYHFVNPOE-UHFFFAOYSA-N 418.357 0.407 30 20 HCED COc1ccc(CN(CCO)C(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 759720111 URQWWTJBZRGJCV-VXPUYCOJSA-N 403.435 0.941 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 761023596 IRTZRTLKBWHTDK-ZDUSSCGKSA-N 409.899 0.624 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[C@@H]1CCCO1 773784623 BYQYPGWRQWTBJZ-KGLIPLIRSA-N 413.883 0.826 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1 778696818 CMUJKNBJAQPJGI-UHFFFAOYSA-N 406.464 0.596 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1CN(CCC)C2)[C@@H]1CCS(=O)(=O)C1 783474277 GUUHOLUVWQRYKH-MRXNPFEDSA-N 403.504 1.000 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 783480237 IPYFWJKHUPBCPE-QGZVFWFLSA-N 414.487 0.827 30 20 HCED COC/C=C/C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 786595478 SUUPOBAYHJTXKL-QPJJXVBHSA-N 407.448 0.137 30 20 HCED CCOC(=O)N1CCN(C(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 788276781 VUXIXSMPVCIHBK-UHFFFAOYSA-N 403.487 0.023 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)[C@@H]1CCS(=O)(=O)C1 789752041 KWRNRTFIOJSMDA-PBHICJAKSA-N 419.503 0.659 30 20 HCED CS(=O)(=O)NCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(F)F)cc2)c1=O 794626706 MIFAYECTLNQLMT-UHFFFAOYSA-N 424.454 0.423 30 20 HCED Cn1nncc1C(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 798817552 ZWHRFCWCMPVFIF-HNNXBMFYSA-N 416.463 0.951 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 799284827 OUIARYMQGYYKAE-OALUTQOASA-N 414.506 0.682 30 20 HCED C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)N1CCO[C@H](C#N)C1 800056538 XDNBKTPBCMWTTH-BFHYXJOUSA-N 418.516 0.806 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1 811831234 BKWKEAIYDBYGTH-UHFFFAOYSA-N 421.475 0.913 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812431753 OIMNTARITTVYEO-JKSUJKDBSA-N 423.539 0.612 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 852862054 RFYFZRCGAAUCBE-SUNYJGFJSA-N 418.471 0.549 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913375504 UGTSGEXZAYPQRY-NSPYISDASA-N 401.423 0.232 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)N(C)C)CC2)ccc1F 914466833 SOTMRYWSLVCGAL-UHFFFAOYSA-N 412.487 0.136 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 919728172 NARLPWAFOWWNHO-LLVKDONJSA-N 417.461 0.520 30 20 HCED C=CCN(CC=C)C(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1108090472 VORBVHJGGOLSDQ-JIPVWKOYSA-N 403.523 0.818 30 20 HCED N#CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1303001377 XGGQVJATXVEHQF-IBGZPJMESA-N 416.507 0.553 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C(=O)NCCO)CC3)C2=O)cc1 1312628118 YVIRCDAAMZVRIG-SFHVURJKSA-N 413.478 0.189 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(CC(C)C)c1=O 1317892304 PZJWFPNOPSZTIN-HNNXBMFYSA-N 418.498 0.670 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1320532073 QONLOHDCWBPUNB-CVEARBPZSA-N 418.475 0.799 30 20 HCED CN(C)S(=O)(=O)c1cccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1324673127 PYCYLDSLCNYRMX-ZCXUNETKSA-N 406.464 0.470 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)CCO1 1325870798 KJXRBXWSDOFBEK-GJZGRUSLSA-N 411.484 0.960 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1359473967 LJNNGSAZRKWSSZ-JKSUJKDBSA-N 424.571 0.887 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(F)cn1 1541928070 VQZQWIPICJRGTL-BZNIZROVSA-N 411.438 0.913 30 20 HCED CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1545698814 NGNBCRDBWVDVCS-KKUMJFAQSA-N 424.527 0.214 30 20 HCED CNS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1554509428 ATSMHSYWNDSTSI-QGZVFWFLSA-N 421.571 0.737 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC(=O)N2CCOCC2)C1 1611769040 IVXXZHHIZSNZAQ-FQEVSTJZSA-N 415.498 0.389 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1638990376 OWWNTGDVAIRXRF-UHFFFAOYSA-N 417.491 0.895 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1696096598 SNPZFNXIHJVSHE-BEFAXECRSA-N 406.487 0.527 30 20 HCED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1696943558 XCWKIJRKADCRAZ-INIZCTEOSA-N 405.466 0.956 30 20 HCED CN(C)C(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1729307358 YFSOVCZIASMOGG-MRXNPFEDSA-N 408.466 0.724 30 20 HCED CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729610127 JPMGTXGFBXKFTB-INIZCTEOSA-N 411.514 0.627 30 20 HCED CC(C)NC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1741697819 KSTCXNHHRQIKCH-DYVFJYSZSA-N 411.532 0.543 30 20 HCED Cn1nncc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1748072613 OYPALOSZPUBEEL-UHFFFAOYSA-N 412.479 0.474 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1cccc(OC)c1 1767959653 JTXMECIFRGARNO-KRWDZBQOSA-N 414.466 0.982 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2)C1 1778969048 ZSGKVJLVSNQLPR-VCBZYWHSSA-N 416.540 0.070 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014856 KECQZBVGFHDNAS-NZLCHEFNSA-N 405.543 0.772 30 20 HCED Cn1cncc1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779062150 GCWNXJMBPCBZNN-NRFANRHFSA-N 400.479 0.562 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)c4ncon4)C3)C2)c(C#N)c1 1779868804 HLOKWMRQPFAPOC-FQEVSTJZSA-N 411.418 0.636 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)c1 1782958143 BROYOSLKKWCKGL-YLJYHZDGSA-N 417.487 0.579 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)CN(Cc1ccco1)C(=O)OCC)CCO2 1783053472 GLQRPDDLZCPOQK-FQEVSTJZSA-N 403.435 0.701 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)NC(=O)c3cnccn3)CCO2)C1 1783106311 BPNKQDQKVIENKP-VWKPWSFCSA-N 415.494 0.637 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CNC(N)=O)C2)cc1 1783288464 MAENJAIBDPOLED-DYESRHJHSA-N 413.478 0.548 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(C(=O)OC)cc2)C1 1783348450 IBLHNWKSPTWWQU-XMSQKQJNSA-N 414.458 0.999 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc3ncccc13)CCO2 1783558794 YQOBQVDUEZJREP-JOCHJYFZSA-N 407.426 0.695 30 20 HCED C=C(C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1)C(F)(F)F 1783760848 SHKULCYKGQWVHQ-KRWDZBQOSA-N 403.401 0.947 30 20 HCED Cc1nn2cc(CC(=O)N3CCO[C@]4(CCN(C(=O)[C@H](C)S)C4)C3)nc2s1 1783886248 ODQBYRDYRVHLKH-APPDUMDISA-N 409.537 0.790 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1784344397 HRQJIDLGOOFOIR-XFQAVAEZSA-N 400.479 0.383 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)n3ccccc3=O)C[C@@H]21 1784486183 ZFDMNLLMSHFRFT-PJVZLEMVSA-N 415.490 0.427 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)cc1F 1785226122 WDFFHCSTYQWPLB-IBGZPJMESA-N 423.466 0.976 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785376655 SOIWXOCWPXUGOL-AVRDEDQJSA-N 412.490 0.861 30 20 HCED 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COc1cc(OC)c(S(=O)(=O)NCCn2cnc(C#N)n2)cc1Br 511436572 KARXTWGMYSCNMG-UHFFFAOYSA-N 416.257 0.908 30 20 HCED N#C[C@@H]1CN(C(=O)NCCNC(=O)c2cnccn2)C[C@]12C(=O)Nc1ccccc12 513993014 XGHJHLJAFHNVEU-XCLFUZPHSA-N 405.418 0.261 30 20 HCED COC(=O)CCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 519996637 UONYSTMLENZYAB-UHFFFAOYSA-N 408.480 0.917 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)O)cc1Br 520704966 PEHGNDXLJBPHIH-ZDUSSCGKSA-N 418.269 0.384 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CCC[C@@H]1O 534382395 VNJMBQXPOXCCAQ-ROUUACIJSA-N 420.535 0.484 30 20 HCED COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 534827418 HRPCGJHOHGZEKB-HNNXBMFYSA-N 405.436 0.116 30 20 HCED CO[C@@H]1CC[C@@H]2OCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 535859155 FEHZFWQPUYHEJZ-NXHRZFHOSA-N 407.492 0.974 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCSC1 536344188 XDYWKQYQWGYUCW-MRXNPFEDSA-N 408.549 0.828 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)C1=O 544726954 ZYYRLALXOVAYNC-NVXWUHKLSA-N 408.476 0.961 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)cc1 551048595 HOLHXFUGNZZIQH-UHFFFAOYSA-N 420.473 0.144 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 553697965 GKYYZSYNXAPMRN-UHFFFAOYSA-N 404.430 0.967 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 556327596 QDQXLVXYHMZPND-KRWDZBQOSA-N 423.429 0.696 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1=O 558728928 HLINBWXWKUUJEA-INIZCTEOSA-N 412.446 0.313 30 20 HCED Cc1cccc(NC(=O)C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)c1C#N 560263873 IPSRZKBCLWBHKT-UHFFFAOYSA-N 416.459 0.990 30 20 HCED C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 562021830 FCEPENHREXMYSO-UHFFFAOYSA-N 405.528 0.969 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 562149116 GTRLJIDUSDVWFK-IAGOWNOFSA-N 407.492 0.615 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 565795260 MUBMMMIKMSSHEV-GDBMZVCRSA-N 406.508 0.990 30 20 HCED N#CCC1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CC1 571791744 FRMSVFCAPNJFPV-UHFFFAOYSA-N 420.535 0.949 30 20 HCED N#CCCN(CCC#N)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 575191883 NUQIYVUBBXFGBC-UHFFFAOYSA-N 419.507 0.453 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)CC1 576899654 RPUFTEKAAZYAMY-OAHLLOKOSA-N 422.913 0.670 30 20 HCED CCN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 579050654 GJKTUDZORDMEOU-OALUTQOASA-N 411.506 0.576 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCC(=O)NCc2ccccc2)c1 580605311 HLDIXIQPRVLIDX-UHFFFAOYSA-N 400.460 0.659 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1cccc(OCC(F)(F)F)c1 582389140 VWIXPENQHRZTQF-UHFFFAOYSA-N 408.402 0.876 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 583039118 WARPQPXUUNASBE-LSDHHAIUSA-N 406.483 0.455 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 588728119 QQQVNYRMGVHEKU-AWEZNQCLSA-N 402.503 1.118 30 20 HCED CSCC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 589017582 HLRABNRYUJPUGY-QGZVFWFLSA-N 410.521 0.572 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2OC)C1=O 589918877 ZFLLNBRKTXIINB-UHFFFAOYSA-N 405.407 0.348 30 20 HCED Cc1nn(C)c2ncc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc12 604227098 XZQGOGQFYFKJOA-UHFFFAOYSA-N 404.434 0.831 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1C1CC1 609739343 VZXKUIWRMFWGNP-UHFFFAOYSA-N 401.463 0.958 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 615632129 QEZOOXSWAXUCAX-JXFKEZNVSA-N 416.409 0.104 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H](C)CN2CCN(C)CC2)cn1 730144333 JMTBIMIJIIYHRA-GDBMZVCRSA-N 421.571 0.607 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CCOC)c2=O)cn1 732561187 IMHYSMOSSOMGRG-UHFFFAOYSA-N 423.498 0.914 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CCN1Cc1ccccc1 734077127 GOYZUPBYDUAUMD-GOSISDBHSA-N 416.445 0.837 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)CC1 735658056 UJQCDRXOAGWNLA-LJQANCHMSA-N 409.494 0.049 30 20 HCED C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CC(=O)Nc2ccccc21 741344532 XJZMCQAFAUGKHS-RUWSDDDDSA-N 412.402 0.820 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 745484231 UPPDDFNJKJGYJV-SLTBLMCHSA-N 403.416 0.333 30 20 HCED N#Cc1ccc(NCCNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)nc1 746120708 AQLLTJFVDXLGRL-INIZCTEOSA-N 420.429 0.412 30 20 HCED COc1ccc(C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1S(N)(=O)=O 746553942 HSNROMZGGNXKMC-UHFFFAOYSA-N 403.416 0.687 30 20 HCED O=S1(=O)CC[C@H](S(=O)(=O)N2CCN(CC#Cc3cccc(Cl)c3)CC2)C1 747676688 YHRDBNPYWHVDQX-KRWDZBQOSA-N 416.952 0.826 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)Cc1nn(CCO)c(=O)c2ccccc12 750368166 XXHPJEQIIGFYGQ-QKKBWIMNSA-N 414.462 0.917 30 20 HCED COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1c(C)noc1C)c1cccc(C#N)c1 751631296 GHQNMPVNNXKCQL-HNNXBMFYSA-N 407.404 0.899 30 20 HCED C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 753887689 VFWQGJLCWPASIF-AWEZNQCLSA-N 423.491 0.573 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c[nH]c(C(=O)OC)c2)c1=O 758068931 PDOOSECWMZYVDL-UHFFFAOYSA-N 424.482 0.220 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)cnc1Cl 760376795 AROFPURHNSUMOT-UHFFFAOYSA-N 408.892 0.338 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 761031746 VKNHITKTSUAQCN-UHFFFAOYSA-N 406.424 0.230 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 761815381 NOCJPKWHLBSZCF-CYBMUJFWSA-N 421.500 0.737 30 20 HCED N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 767406087 RDDKGKKSGMADJC-UHFFFAOYSA-N 421.475 0.383 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767553575 ZOKGKBYYSCSDBG-UHFFFAOYSA-N 402.455 0.211 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 771471399 POAFYJISZKVKJM-STQMWFEESA-N 409.468 0.479 30 20 HCED Cn1ccc(CC(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 782389953 YPGVTJTZJUGNPG-UHFFFAOYSA-N 424.417 0.974 30 20 HCED Cc1nc(-c2ncccn2)nc(O)c1CC(=O)OCc1cc(O)n2ncc(C#N)c2n1 783396950 NTLFQGZQZVSMHA-UHFFFAOYSA-N 418.373 0.854 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H](O)C2)c1 789787354 YZLFGGVHHHLANT-ZDHNHOGNSA-N 408.480 0.421 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3ccnn3)cc2)n1 789788701 NDNQCIGIEQQWDD-UHFFFAOYSA-N 407.434 0.711 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 789809888 YHDWZJMELWJZHQ-HUUCEWRRSA-N 420.491 0.942 30 20 HCED C[C@@H]1NC(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)=NN(c2ccccc2)C1=O 791286860 YNQNLYKBKKZAHK-HNNXBMFYSA-N 403.446 0.940 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 800076327 SUSZAWRLARKNLO-HNNXBMFYSA-N 419.548 0.234 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 801289308 KCSASIMFEQPFHI-UHFFFAOYSA-N 410.459 0.341 30 20 HCED N#CC1(OCCOC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CCOCC1 809081037 ZQDXVLFXNFKRLC-UHFFFAOYSA-N 413.430 0.691 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)[C@@H]1CCCO1 809304441 KFXBYYNQPFOBBP-YRXWBPOGSA-N 418.538 0.123 30 20 HCED C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)NCCN1CCOCC1 816074409 XLLFTFOKOBKNOF-NSHDSACASA-N 400.357 0.966 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccsc2)c1=O 838178210 JQLKIXMTIYZVBK-LBPRGKRZSA-N 407.517 0.272 30 20 HCED CN1CCC2(CC1)NC(=O)N(CN1CCN(c3cccc(F)c3C#N)CC1)C2=O 915203962 FWWTVGWXXVKCTH-UHFFFAOYSA-N 400.458 0.793 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CC(=O)N3CCCC3)CC2)c1=O 917460408 HLUJTIDPCPCAPZ-UHFFFAOYSA-N 417.510 0.226 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2cnc([N+](=O)[O-])n2)cc1OC 919665863 FWFPWFBHHORRTE-GFCCVEGCSA-N 402.367 0.271 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(NS(C)(=O)=O)nc1 1127141517 RJPJXDCROUUALU-GFCCVEGCSA-N 401.452 0.466 30 20 HCED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cn(C)cn1 1130632804 REVXDQCGSODHTA-ZMHQTACCSA-N 401.511 0.421 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CCCO)cn1 1298818548 KOMHOVXMDFNFRZ-IRXDYDNUSA-N 400.487 0.254 30 20 HCED COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1300042206 WXNSFIHKRBJILH-KRWDZBQOSA-N 408.459 0.945 30 20 HCED C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CCNS(C)(=O)=O 1300840046 RMXVCECYQLZFRZ-UHFFFAOYSA-N 418.321 0.573 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C(N)=O)CC3)CC2=O)cc1 1318117390 FDKPAIYJFUIZDI-INIZCTEOSA-N 418.457 0.754 30 20 HCED CN(C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1)S(C)(=O)=O 1320794699 UIYFYXLJCGZABW-OAHLLOKOSA-N 404.492 0.794 30 20 HCED CN1CCC(N2CC[C@@H](N(C)C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)CC1 1342860008 ZCOGCNYRTASTJW-VRTBNJGNSA-N 404.515 0.323 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1452248359 NWECKYKMMHABCI-LJQANCHMSA-N 407.492 0.517 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)[C@@H]1Oc1ccccc1 1469862016 YNJCDOZTCGKZRV-BBWFWOEESA-N 413.434 0.745 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCOCC1 1611686898 NUYSDHACBXTJDY-MLGOLLRUSA-N 400.480 0.757 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648940016 JNPOCMBBPZFNFD-ZDUSSCGKSA-N 420.470 0.446 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1729203874 ITCNAEHTMOGLSP-AWEZNQCLSA-N 419.463 0.837 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 1779379934 NGBAIQLLHGXMFF-GOSISDBHSA-N 419.442 0.043 30 20 HCED CN1CCN(C2(C(=O)N3CC[C@]4(CN(C(=O)C5(C#N)CCC5)CCO4)C3)CC2)CC1 1781111643 OGNOCDYYKDJZAK-OAQYLSRUSA-N 415.538 0.290 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@]2(CN(C(=O)Cc3ccc(F)c(C#N)c3)CCO2)C1 1781251828 MIFVOXBKDKVYED-VLIAUNLRSA-N 402.426 0.204 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C[C@@H]32)C1 1783458842 LTXGUIJVMFKYIA-OHFALNGGSA-N 413.540 0.260 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)CN)CCO2)C1 1783766721 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419.438 0.051 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CN(C)C(=O)C(=O)O)CC3)CC2)C1 1833051312 TZMRHZURBUZNTH-UHFFFAOYSA-N 420.510 0.067 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3nc4ncccn4n3)CC2)CC1 1833428139 QHYSHJSMHSIUJM-UHFFFAOYSA-N 421.505 0.723 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccns1)CCO2 1833770302 ODVXBULSWLBMJX-LLHWWHOWSA-N 420.491 0.072 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448374 SZXHOKKQQMQDAF-HNAYVOBHSA-N 407.471 0.291 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncs3)CCO2)C1 1834467179 ZCBGRYZYQZHJJA-IBGZPJMESA-N 421.523 0.495 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(-c4ccccn4)nc3)C2)C1 1834755752 BJUNVVJEZTWVDE-OAQYLSRUSA-N 422.445 0.522 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)Cn3cnnn3)CC2)CC1 1834873855 UTVIVWWNPQFNJM-QGZVFWFLSA-N 409.560 0.199 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cnc4ccccc43)C2)C1 1835364554 YTWORKKLURKUHX-NRFANRHFSA-N 411.462 0.796 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3sc(N)nc3C)CCO2)C1 1835801311 PRBPXAABPCXYSK-AUUYWEPGSA-N 422.507 0.142 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)CSc1ncccn1)CCO2 1836109720 GMCQFRBZNTZURO-HXUWFJFHSA-N 416.503 0.439 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccnc3)C2)C1 1837395284 WEPXESAXZOWHRW-DYESRHJHSA-N 403.479 0.725 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnccc3F)C2)C1 1837396309 AVMDEPUWFDJOGG-LAUBAEHRSA-N 421.469 0.864 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1837667331 SEHRSXKCPFLEKN-OAQYLSRUSA-N 409.527 0.961 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)Nc1ccccn1)CCO2 1837747053 RBHLWHAYZAEBFF-UWJYYQICSA-N 400.479 0.752 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])[nH]4)CCO3)C2)C1 1838824441 FBZOPQXQLHSMJH-IBGZPJMESA-N 404.423 0.959 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839721765 BWQJJIIPQIRYNL-NRFANRHFSA-N 409.446 0.594 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)C1 1839810003 YDHLQHHPVWCDJX-FOIQADDNSA-N 409.483 0.331 30 20 HCED Cc1cc(Cl)cc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840045042 NFDCHRRSDLVVRZ-FQEVSTJZSA-N 420.849 0.806 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1840158469 MRWVOIKAGXYGGV-GDLCADMTSA-N 400.419 0.074 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)nn3C)C2)C1 1840167033 RNWLSTQDICQFKU-HXUWFJFHSA-N 404.467 0.302 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1840169453 FFWKHCWZBVQABP-NRFANRHFSA-N 416.478 0.375 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840169988 WUZNTCBMUSLERQ-NFBKMPQASA-N 414.502 0.850 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840172081 PVKVGONESFYDGD-OAQYLSRUSA-N 411.462 0.913 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(=O)OCC)CC3)C2)C1 1840176207 ARFYXWYMWWZHJR-NRFANRHFSA-N 423.510 0.887 30 20 HCED CCO/C=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1840310023 MILTYKMSFXXEPH-ZMDAJCSBSA-N 408.499 0.465 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840325369 VLJHZSKMEFQETO-IERDGZPVSA-N 420.510 0.372 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5nncn5c4)C3)C2)CCC1 1840814149 QVBCRKDVHTUTDS-NRFANRHFSA-N 424.461 0.493 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)COc4cccnn4)C3)C2)CCC1 1840815858 KGBBREPDJDQHCK-FQEVSTJZSA-N 415.450 0.006 30 20 HCED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)Cn1ccncc1=O)C2)c1cccs1 1843419312 SSEPWAOLEMZPDK-SNAWJCMRSA-N 412.471 0.947 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)N3CCCC34CN(C(=O)CC#N)C4)[C@H]2C1 1846141516 FFFAUDYFGCGFAJ-OWCLPIDISA-N 418.494 0.985 30 20 HCED C=CCOc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1OC 48280428 CFTXFXGXCQPVGZ-UHFFFAOYSA-N 415.446 0.693 30 20 HCED C=CCN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1F 56512339 FAYNLIPHHCYFCE-UHFFFAOYSA-N 418.513 0.817 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 409567317 LXSHNFRMIKQQKA-JSGCOSHPSA-N 402.498 0.057 30 20 HCED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1=O 410305127 GQWIFQLTENBJJC-SFHVURJKSA-N 421.519 0.957 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 430379539 UIKGXBYHDPUCKS-NVXWUHKLSA-N 422.507 0.012 30 20 HCED CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)CC(C)(C)C#N 433316601 IXXJAERIKCFZJG-SFHVURJKSA-N 400.479 0.979 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)cc1 437107257 YRTHPZVAYNMZTE-OAHLLOKOSA-N 408.480 0.968 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1=O 440254307 IYCVPRCUJQINED-INIZCTEOSA-N 407.492 0.723 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Br)c2)n1 441713252 IFYZXLWBNZHLID-UHFFFAOYSA-N 419.239 1.253 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC(Cn3ccnn3)CC2)cn1 460702335 ZZGCIQNBHJLEJJ-UHFFFAOYSA-N 405.422 0.608 30 20 HCED Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C)c1=O 463790206 PPPIOMFXSRUSPJ-UHFFFAOYSA-N 403.891 0.771 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 466483760 YKFDUOWYRRGYHH-KBPBESRZSA-N 409.468 0.942 30 20 HCED CCn1nc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1C1CC1 468594563 HDXAGHBMTZKOOV-CYBMUJFWSA-N 408.466 1.118 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)cn1C 468635162 MNQYTMCBPJZIOT-MAUKXSAKSA-N 409.512 0.851 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2)c1C#N 472203067 CKUWBCYRAZABOJ-CQSZACIVSA-N 405.484 0.269 30 20 HCED CSCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 478848778 BVCZVTNTEZHQGI-ZDUSSCGKSA-N 418.544 0.505 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C1CC1 480962995 NNODINNRMFVZLO-NSHDSACASA-N 419.528 0.969 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NCC(=O)N[C@](C)(C#N)C1CC1 484833936 IIHPUGNJSGBYKY-LJQANCHMSA-N 422.507 0.936 30 20 HCED C=CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 486969261 SAXKVTGYWXXUNP-QWRGUYRKSA-N 421.463 0.193 30 20 HCED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489296827 VAERWJPNXIGVKB-HOCLYGCPSA-N 424.498 0.696 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1 511435962 GYCPCHXNVMOSDF-UHFFFAOYSA-N 412.497 0.159 30 20 HCED N#CCNC(=O)CNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 511924886 WZTVHJBALNYWOF-UHFFFAOYSA-N 408.267 0.211 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cncc(C#N)c2=O)c1 521693473 NBUDTNQNCDGGRG-UHFFFAOYSA-N 419.463 0.793 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)cn1 531641524 OTANSZVAASDHBM-UHFFFAOYSA-N 417.857 0.663 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 536085551 CGYUCRGBBKCPLN-INIZCTEOSA-N 412.515 0.903 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 536606191 FJVODCCPYFQUTN-HNNXBMFYSA-N 404.496 0.691 30 20 HCED N#Cc1cc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)ccc1OCC(F)(F)F 537298338 FGNRPBYHKCAAKU-UHFFFAOYSA-N 403.342 0.982 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 541895904 FSOKQIGZIKZIDZ-UHFFFAOYSA-N 419.511 0.725 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](NC(=O)NC3CC3)C2)CC1 545504961 GPUUNNBNCMZIBE-DLBZAZTESA-N 416.551 0.993 30 20 HCED COCCNc1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 552891657 GOMLXIMTWLPFLW-UHFFFAOYSA-N 422.489 0.977 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 553069431 ZHOLJMNUIFXNNX-ZOBUZTSGSA-N 406.508 0.547 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCNC(=O)c1cnccn1 553818724 CXAVBPPAXOKTMJ-UHFFFAOYSA-N 410.253 0.819 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 555836828 HLHXETOCTJPFQP-UHFFFAOYSA-N 403.258 0.315 30 20 HCED CN(CC(=O)N[C@@H]1CCO[C@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 557191390 PGEDWJYQSRQBCC-AEFFLSMTSA-N 417.491 0.949 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 571687470 DTDPQKDYLIJQAA-UHFFFAOYSA-N 419.511 0.508 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@H](CC)C(=O)N1CCOCC1 573754714 BXIWIEAXECLHLO-GOSISDBHSA-N 403.479 0.963 30 20 HCED CCN(C[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1)CC(F)(F)F 588127610 NGTNARKMJLOTBH-AWEZNQCLSA-N 403.449 0.823 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3ncccc3c2)c(=O)n1CC(N)=O 589159309 NKBFFOAJCOLMPG-UHFFFAOYSA-N 406.467 0.671 30 20 HCED COCCc1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)n(C)n1 589438700 MRJBQGGSLRDXRY-UHFFFAOYSA-N 417.495 0.533 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(CC#N)CC2)C1 609332347 FWUBPBPBGATDRM-HNNXBMFYSA-N 408.528 0.531 30 20 HCED COC(=O)[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCOCC1 609348712 GBIXYWRXEIACGI-QGZVFWFLSA-N 408.476 0.805 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 609563057 UTRIAQFOMRPTRZ-CQSZACIVSA-N 407.430 0.999 30 20 HCED CC[C@H](C#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 611148421 LKIFZHNJYAZYCC-OCCSQVGLSA-N 421.928 0.840 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCOCC2CC2)c1 731130700 RULPHIJZYJRQPZ-XLNRJJMWSA-N 422.507 0.981 30 20 HCED CCS(=O)(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731851493 YJJDGRDYIQOSDJ-FOCLMDBBSA-N 413.477 0.285 30 20 HCED N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCN1C1CC1 732699799 CUSPWGACFFGYCL-OAHLLOKOSA-N 422.467 0.255 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN2C(=O)CCC2=O)c1 733843960 QPFMXDDOYWFLDR-RCCKNPSSSA-N 421.479 0.770 30 20 HCED N#Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)cc1 745147001 XOIBIBVANDKLOM-UHFFFAOYSA-N 409.445 0.686 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)N3CCCc4ccccc43)CC2)CC1 748817329 MLBXKVWXFOVKLB-UHFFFAOYSA-N 423.561 0.361 30 20 HCED N#Cc1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)cn1 751269556 OWWPMEWUIMXOEY-UHFFFAOYSA-N 422.492 0.875 30 20 HCED N#Cc1ccc(S(=O)(=O)NNc2ccc(S(N)(=O)=O)cn2)cc1C(F)(F)F 751518823 ZWGAAYWEZHUQNU-UHFFFAOYSA-N 421.382 0.925 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 751632717 QQOKJEXJSMHMMA-GFCCVEGCSA-N 424.460 0.852 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(CS(N)(=O)=O)cc2)C1 756894183 IRACZSOEXVPPTJ-CABCVRRESA-N 408.480 0.964 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758053380 HVMIONAMOYWEQS-UHFFFAOYSA-N 403.385 0.766 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCCN2CCC[C@H](C(N)=O)C2)C1 758500093 HPXLZZOPQHLLNT-JYJNAYRXSA-N 422.530 0.632 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(OCC(N)=O)c1 761141182 GWSDDUQWHDYXCT-UHFFFAOYSA-N 400.366 0.847 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCCN1C(=O)NC(C)(C)C1=O 767678590 FIYFGSXOWFTENH-GFCCVEGCSA-N 422.463 0.489 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 770750933 OZJKGKGBNKXLNF-JVRXMHAUSA-N 404.373 0.960 30 20 HCED C[C@H]1OCC[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 771082716 LXWCSOCQKODAOI-GDBMZVCRSA-N 421.475 0.359 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCCCS3(=O)=O)CC2)o1 772410319 GHAAKXNTQLBSPH-CQSZACIVSA-N 410.452 0.014 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1CC 774531480 RAKCMPZWFLWUHS-UHFFFAOYSA-N 424.526 0.868 30 20 HCED O=C(O)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 776626112 RTRMKLQPFFTJGN-UHFFFAOYSA-N 423.491 0.988 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN2CCNC(=O)C2)c1 781399153 BTDIETROPPLWJD-JWGURIENSA-N 422.511 0.053 30 20 HCED CCOc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2nnn(C)n2)c1 783044113 DFCFGFNOZZXXAK-ZDUSSCGKSA-N 403.468 0.877 30 20 HCED Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787787882 QFUKKEAOUKUDFP-GOSISDBHSA-N 420.473 0.707 30 20 HCED C=C(C)Cn1c(SCC(=O)NC[C@@H]2CC(C(N)=O)=NO2)nnc1-c1ccco1 793906723 OEOWOKIFFGRHBL-NSHDSACASA-N 404.452 0.953 30 20 HCED CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)[C@H]1CCN(S(C)(=O)=O)C1 794783618 ADVNQARDZPESJZ-JSGCOSHPSA-N 403.464 0.477 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(N(C)C(=O)NCC)c2)CC1 796767659 HOPSJTYPLGHZFD-UHFFFAOYSA-N 413.478 0.779 30 20 HCED C[C@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798939132 ICFJVEQZJVNHLE-KGLIPLIRSA-N 419.486 0.590 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)nc2)CC1)[C@@H]1CCS(=O)(=O)C1 801553031 GJLRMSZEUYGLJW-CRAIPNDOSA-N 405.524 0.499 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)Nc2ccn(C)n2)c1 802574735 FLJFNWBXNXCXRI-RCCKNPSSSA-N 404.452 0.810 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCCO1 803753086 WIRGHSXMUDHHOM-PMACEKPBSA-N 414.506 0.230 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)c2C1 803837290 BZUSIBIXAXZMQY-QGZVFWFLSA-N 409.446 0.926 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 806335824 CEFBUJIRPNBTJK-HUUCEWRRSA-N 410.515 0.897 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCCN(c4ccccc4C#N)CC3)ccnc1-2 806854053 SPJBUPGGYLPGIK-UHFFFAOYSA-N 403.446 0.891 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(CCCN1CCOCC1)Cc1ccncc1)[C@H]1CCCO1 809314094 YBGISMYZRCWYPX-WOJBJXKFSA-N 414.506 0.430 30 20 HCED CC#CCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC 810777819 HZXJDXXNEKYXFT-UHFFFAOYSA-N 402.494 0.809 30 20 HCED CC(C)C(=O)N[C@@H](CO)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 813412554 BAUNLFDVERMSPG-SSPLZPMDSA-N 410.496 0.571 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC2CCN(CC(=O)NC)CC2)ccc1F 914780056 BXCBMFKLCGCJCS-UHFFFAOYSA-N 412.487 0.230 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCN2CCOCC2)c1 916691857 JKSPDKVFIYPUGD-HEHNFIMWSA-N 409.512 0.953 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 916870067 DZLAZZHFWUMPRN-ARGWCVDVSA-N 406.483 0.985 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C 917780203 WGPFHHPIAUNULK-UHFFFAOYSA-N 417.535 0.444 30 20 HCED Cn1ccnc1[C@@H]1C[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1161536362 UIGAAKUEDCHETN-HIFRSBDPSA-N 417.491 0.885 30 20 HCED CC(C)NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 1190568892 LVTMIDMEMXROEA-UHFFFAOYSA-N 406.917 0.761 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1318047732 FCNKSPGGXLQAOU-WBVHZDCISA-N 409.490 0.722 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1505322192 KIUHJWDDBROXIN-GJZGRUSLSA-N 402.480 0.894 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCC1 1509684769 PGFCRIHOJLGGAM-INIZCTEOSA-N 401.515 0.898 30 20 HCED CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cn1 1515776925 RAWMWVHGPZYKAY-CYBMUJFWSA-N 406.516 0.893 30 20 HCED COCCn1cc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2=O)cn1 1527491325 PCQNMDMYDJSSNU-FUHWJXTLSA-N 424.461 0.829 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(O)CCN(C)C1 1546532799 VBAITZMBIBFEQN-FOIQADDNSA-N 411.514 0.284 30 20 HCED CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C 1547600777 ODFVKAUTBGEWIN-UHFFFAOYSA-N 414.495 0.864 30 20 HCED Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nnn1-c1cnn(C)c1 1556457556 JZOABOMVQNHFSH-KRWDZBQOSA-N 404.434 0.712 30 20 HCED 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C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778778201 ZZNXTRZPBFYJRB-CBGDNZLLSA-N 423.510 0.934 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779060730 JLMUNARNLLRSHW-AVRDEDQJSA-N 403.523 0.609 30 20 HCED COCCOCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105348 UABWYNQLFCRAPC-WPWRXMBVSA-N 413.471 0.008 30 20 HCED CC#CC[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)CNC(N)=O)CCO2)C1)c1ccccc1 1779190542 POYNFIIHYVOIAH-XMSQKQJNSA-N 412.490 0.682 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncn(C)n1)C2 1779334098 OYKABWLTLBHYDV-STXHMFSFSA-N 405.499 0.516 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)N2CCOCC2)C1 1779418969 XNSZJWYLBLDICI-SGLNWRHMSA-N 409.527 0.363 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@H]4CCCCO4)CCO3)C2)c1 1780334534 FFPOVIFAWHWMAC-OVIGCCJXSA-N 415.450 0.859 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CN(C(=O)[C@@H]3CCOC3)CCO4)c2c1 1782198815 WDWZLBWEILEICJ-VFNWGFHPSA-N 409.446 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0.082 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NNc3ccccc3)C2)C1 1840840024 SCCKFIRWDWVQJA-GCJKJVERSA-N 414.506 0.861 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2ccc3c(c2)n(C)c(=O)n3C)C1 1843733225 KIEFUMDWSUPSHJ-OAHLLOKOSA-N 410.474 0.732 30 20 HCED CC#C[C@@H](CC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1)C2)c1ccc(O)cc1 1846414480 UKZLLYXBBABAIE-IHPCNDPISA-N 411.502 0.815 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(C)=O)C2 1847082196 MNHPRGXRSNBZCU-QVKFZJNVSA-N 420.510 0.795 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)COC)CC1 47996733 DUNBNEPBQCIABJ-UHFFFAOYSA-N 405.499 0.742 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 64595295 RWMCBUOGKFGJTD-UHFFFAOYSA-N 421.504 0.372 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCNc3ncccc3C#N)C2=O)cc1 108135352 RPBTVDZCRKEATG-NRFANRHFSA-N 422.445 0.957 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 139285444 OQIXLMPPDMQOJV-CQSZACIVSA-N 401.510 0.305 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 438748792 SKMGPSHSFMDWCM-UHFFFAOYSA-N 421.523 0.760 30 20 HCED C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442515941 XFKQDYAYBBDFKT-STQMWFEESA-N 401.398 0.820 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 443012486 HOXADGMLOZGPQJ-UHFFFAOYSA-N 410.433 0.723 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 443187893 PRKLZEUGFILMIP-LLVKDONJSA-N 421.387 0.913 30 20 HCED CS(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443477422 PZVXERFUXRYTOZ-UHFFFAOYSA-N 422.326 0.977 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCSC 443681653 MQBFANJNQOHDOE-UHFFFAOYSA-N 418.544 0.324 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H](C)O1 443749470 PTJXXXHCTLOGNP-OLZOCXBDSA-N 401.398 1.084 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)cc1 443846275 VDPTVNMQOPIRNX-ZIAGYGMSSA-N 413.496 0.022 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(CCCOCC(F)(F)F)CC2)n1 444516115 ADXJXNNMBOTCDM-UHFFFAOYSA-N 416.404 0.848 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)c1 447834481 WSGOAUFERLIATK-NVXWUHKLSA-N 412.508 0.637 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H](CCO)C2CCOCC2)n1 461784258 GURBUKKZCPGATB-MRXNPFEDSA-N 415.425 1.115 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Nc1cnn(CC(=O)NC2CC2)c1 462094791 BXEJUZTXSXCKFQ-UHFFFAOYSA-N 405.422 1.567 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCCN1CCN(c2ncccn2)CC1 463677354 MKIXCYVXUKYOHB-UHFFFAOYSA-N 416.507 0.847 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 470329951 FRCANXUDKQUYMY-HOCLYGCPSA-N 416.507 0.744 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 480262697 WPMDJNDKHWIZNN-UHFFFAOYSA-N 416.459 0.494 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H]2CCCN(CCO)C2=O)c(C#N)cn1CCOC 481361997 ZYUMSUFZQMTLPC-CQSZACIVSA-N 421.454 0.288 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)N1CCc2ccccc21 481528075 LMVRODYYHMXQNQ-CQSZACIVSA-N 412.471 0.931 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 482840928 QQAIXLQKAAVWKA-NVXWUHKLSA-N 406.508 0.406 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)nn1 499387966 CMUJCWDZLCNEBV-UHFFFAOYSA-N 421.211 0.340 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 503164240 JYZXJLVEKJYFBR-INIZCTEOSA-N 407.496 0.682 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 503168679 LAUAUWLIWFKIDH-HOTGVXAUSA-N 421.523 0.468 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N1CC=C(c3ccc(C#N)cc3)CC1)c(=O)n2C 503959630 BSQYIWWVXQKVDP-UHFFFAOYSA-N 404.430 0.621 30 20 HCED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 504872794 KIGSNSCLTDYPOW-CVEARBPZSA-N 422.459 0.426 30 20 HCED C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCN(c2ccc(C#N)cc2F)CC1 507203459 JGHVNMZAKWDZTC-LBPRGKRZSA-N 414.441 0.070 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1 509934032 ZVYNHMYSBVCOKJ-UHFFFAOYSA-N 418.479 0.471 30 20 HCED Cc1ccc(C(=O)N2CCC[C@@H](c3nncn3C)C2)cc1S(=O)(=O)NCC#N 518693721 ZQIWOSBYPDVCOM-OAHLLOKOSA-N 402.480 0.945 30 20 HCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(CC(N)=O)c1=O 524281830 BZIOHSCLGYFWRY-UHFFFAOYSA-N 416.528 0.327 30 20 HCED CC(=O)N1CC[C@@](C)(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 531081746 MJWKSPGMWOWHES-LJQANCHMSA-N 404.492 0.650 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 546002377 GUIZPQYHTBJDHU-UHFFFAOYSA-N 413.478 0.662 30 20 HCED CN(C)c1ncccc1CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 550664819 YCUXIYNCPWHWGW-SFHVURJKSA-N 420.473 0.947 30 20 HCED CNC(=O)COc1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 553958636 JOBBCSHNXROXIQ-HNNXBMFYSA-N 423.477 0.893 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)C1=O 554419699 SQPKVGCUPAPNQH-ZBFHGGJFSA-N 402.426 0.293 30 20 HCED CN1CCO[C@@H]2CN(C(=O)C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)C[C@@H]21 558044531 NSOQALLRDDJBPA-AYOQOUSVSA-N 415.469 0.324 30 20 HCED N#Cc1ncn(CCNC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 558140559 UVTCECDRTVWDCL-GFCCVEGCSA-N 409.497 0.221 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2OCC=C)CC1 558175235 XVOCEFDMGMSFPC-UHFFFAOYSA-N 400.479 0.314 30 20 HCED Cc1cc(C)n(CCCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 559367875 YLQJQKVLHJYJIY-IBGZPJMESA-N 422.489 0.795 30 20 HCED N#Cc1cncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 562236323 GNBUUPNPZVKBPS-UHFFFAOYSA-N 408.461 0.775 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CCC(C)(C)C#N)CC2)C[C@@H](C)O1 569859561 XKXOMGAQLCERSL-HUUCEWRRSA-N 422.573 0.228 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC[C@]3(O)C[C@H]4CC[C@H]3C4)n2)cc1 576968129 SDEWXZYOSBZHMP-FIKGOQFSSA-N 408.462 1.194 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 577556957 PRUHJSJTYLSFQL-WDSOQIARSA-N 418.519 0.942 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)CC1 581207089 FSDUHTZFIARBEF-UHFFFAOYSA-N 420.514 0.017 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C 588700838 YYSCFYHQCQURRO-YPMHNXCESA-N 422.367 1.564 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 617017697 NJXMQLSCZQJNLW-UHFFFAOYSA-N 414.576 0.668 30 20 HCED N#CCc1cccc(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c1 619493270 TZZKCZITSRKMLC-ZDUSSCGKSA-N 400.503 0.927 30 20 HCED C[C@](C#N)(NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1)C1CC1 725955748 STTOYUJDOBNJCR-TWOQFEAHSA-N 403.410 0.753 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c1=O 753789722 YDNSZOUMYMKVKP-UHFFFAOYSA-N 403.508 0.048 30 20 HCED C=CCNC(=O)NC(=O)CN1C(=O)c2cc(Br)ccc2S1(=O)=O 757746062 AJVUCBFCMVFMIO-UHFFFAOYSA-N 402.226 0.605 30 20 HCED CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 764764764 XZRSCRCDGSETRQ-IUODEOHRSA-N 411.505 0.732 30 20 HCED COc1cc(C=NNc2nc(O)c3cnn(C)c3n2)cc(OC)c1OCC(N)=O 769819250 KPRJAVNZTDONGG-UHFFFAOYSA-N 401.383 0.396 30 20 HCED COc1ccc(S(=O)(=O)NCCC(=O)OCCn2ncc(C#N)c2N)cc1OC 771599367 KDYMEZUBUJDCEN-UHFFFAOYSA-N 423.451 0.266 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O 773785972 CNBSEOVFFJIZBM-STQMWFEESA-N 408.455 0.867 30 20 HCED C[C@@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 774776066 TYKYVZHAFLZVOT-OCCSQVGLSA-N 411.528 0.963 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)nc12 782527760 UXQZRZGOIHZABU-UHFFFAOYSA-N 406.358 0.715 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 783013596 LEYCXAVNWCXWTL-UHFFFAOYSA-N 419.507 0.763 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 784708873 DLJQSOOFFSDLIZ-JKSUJKDBSA-N 402.451 0.501 30 20 HCED COc1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc(OC)c1OCC(N)=O 787587836 KTIIJBZASWRCGC-NSHDSACASA-N 405.407 0.676 30 20 HCED C#CCn1ccc(CN(CC)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 790118240 QXMSZVANCVTRJH-CQSZACIVSA-N 417.491 0.331 30 20 HCED Cn1ncc(C(=O)[C@H](C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 793124073 IZUGLFSNVVKBFU-HNNXBMFYSA-N 416.463 0.951 30 20 HCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CC2)C1=O 793211461 CNAHYKIBQIMBOU-MRXNPFEDSA-N 408.411 0.342 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCc2nnn(CC(F)(F)F)n2)cc1 799473973 SNMXRHQCRUPIBP-UHFFFAOYSA-N 403.342 0.765 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 805389946 QRAQBLWVISKXKJ-UHFFFAOYSA-N 410.386 0.748 30 20 HCED C[C@H](C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 807742816 GKXRAZOWCVDPHP-HUUCEWRRSA-N 403.487 0.864 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCC1CCN(C2CCN(C)CC2)CC1)[C@H]1CCCO1 809313074 QKHUNDYSKZCCJX-NHCUHLMSSA-N 418.582 0.938 30 20 HCED C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 812180604 YLLRXRWBZMGSLI-UONOGXRCSA-N 415.541 0.091 30 20 HCED CC(C)OCc1nc([C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 812378355 GXYZKWRNKYJJPA-NSHDSACASA-N 407.452 0.911 30 20 HCED COC(=O)C(C)(C)c1csc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 815491088 IEFLWBIQVBJQBJ-LBPRGKRZSA-N 405.480 0.731 30 20 HCED 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CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1830057938 MKOLSUQJCNRSJZ-WRJCRLLZSA-N 422.482 0.522 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)nc2nccn12 1831221607 UCZQCJZWLNFJIY-JOCHJYFZSA-N 423.473 0.521 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(Cl)n3)C2)C1 1831386156 ADRSLHTYMDMCKE-UGSOOPFHSA-N 411.842 0.436 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@H](C)CC)C2)C1 1831406562 XUPYWPFOKMQYGG-SLYNCCJLSA-N 411.543 0.799 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1831421670 OSGSDSLVCDKIKD-FOIQADDNSA-N 424.473 0.529 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831665412 YBDAIPZSHCYPLH-GDBMZVCRSA-N 412.508 0.375 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1832454227 FPNBCMNOXSWICF-GOSISDBHSA-N 410.496 0.115 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)cc1 1834097716 QKADSHPMCFWWHW-NRFANRHFSA-N 409.446 0.594 30 20 HCED COc1cnc(C(=O)NC2CCN(C3CCN(C(=O)C4(C#N)CC4)CC3)CC2)cn1 1834314779 GGBHDYADGWSQGY-UHFFFAOYSA-N 412.494 0.974 30 20 HCED Cn1cc(CC(=O)N2CCOC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cn1 1835102416 RIVLTVAKUYQSRV-HSZRJFAPSA-N 422.485 0.471 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1835365728 SZJCNYBRNYXFTL-OAQYLSRUSA-N 412.446 0.697 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](CN)c4ccccc4)CCO3)C2)CC1 1835812565 RXVOQWNSCIYWPH-GCJKJVERSA-N 412.490 0.489 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837759370 BVOJCUWXJMJHGM-DJJJIMSYSA-N 424.523 0.313 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837964468 FTFKQYOBVBQNKR-NRFANRHFSA-N 422.478 0.825 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)nn1 1838829972 BFOQQRHLOQAKNB-FQEVSTJZSA-N 415.450 0.249 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839058117 KGZQCSDZHHUXGJ-LAUBAEHRSA-N 403.479 0.672 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccn4nccc34)CCO2)C1 1839540383 BKNWBSSPSCXPLI-KUHUBIRLSA-N 404.492 0.723 30 20 HCED CSCC[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840201208 JWHMMYDFGUBAEG-BEFAXECRSA-N 411.524 0.251 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840320717 XEAPOHBXJHYJAZ-UZLBHIALSA-N 409.483 0.567 30 20 HCED CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)N2CCCC23CN(C(=O)CC#N)C3)C1 1841081528 LEJRFMRQKRJBST-BTYIYWSLSA-N 418.494 0.987 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CC2(CCCN2C(=O)C(C)(C)NCCC#N)C1 1842921158 POLMBMFOTQPHRO-UHFFFAOYSA-N 407.515 0.996 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1844237429 QTLXOIPTBIMQLR-HOCLYGCPSA-N 415.494 0.371 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1845229841 WJTKPTTYKBRVFL-AWEZNQCLSA-N 406.483 0.769 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COc1ccccc1C#N 1847264841 GYBBEJMOTVXGLR-OPDSQHBBSA-N 408.458 0.997 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)cc1 33015361 QMKGXIQHLJMDEX-MRXNPFEDSA-N 422.551 0.823 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 409600610 WKWPMDKVQKZFLX-INIZCTEOSA-N 405.524 0.530 30 20 HCED Cc1c([C@H]2[C@H](NC(=O)C(=O)N3CCc4ccc(C#N)cc43)CC(=O)N2C)cnn1C 429864535 WARGOIRWZUAIIK-APWZRJJASA-N 406.446 0.578 30 20 HCED C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCS1(=O)=O 429867264 LJRIVUSGOZRHSX-LBPRGKRZSA-N 419.438 0.857 30 20 HCED COC[C@](C)(C#N)NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 433970415 FUCZVMOSILERDR-SFHVURJKSA-N 408.480 0.198 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 435019763 LGFOBTKXGBFIRH-CQSZACIVSA-N 424.479 0.463 30 20 HCED C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 442014479 UFLAZSXTHPJNST-QWHCGFSZSA-N 415.475 0.189 30 20 HCED CN(CC(=O)N1CCN(c2cnn(C)c2)CC1)S(=O)(=O)c1ccc(C#N)cc1 470010862 CMIZHBVAXGKHBV-UHFFFAOYSA-N 402.480 0.261 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)c1 470395939 BIGHFDUVZYMASS-DOTOQJQBSA-N 412.508 0.637 30 20 HCED N#Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 472755542 SUWPTCIJPFDMGI-KRWDZBQOSA-N 400.460 0.439 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 475733088 JLBLVHUJDACOHI-WMZOPIPTSA-N 402.561 0.802 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 477459650 ZOZUXXLBZCNXGE-SFHVURJKSA-N 408.524 0.567 30 20 HCED COc1ccc(Cn2nccc2NC(=O)NCC(=O)NCC#N)c(OC)c1OC 481755881 QGLPMTNFNXPNPQ-UHFFFAOYSA-N 402.411 0.718 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O[C@@H]4CCOC4)CC3)CC2)o1 483033099 YBQFCKTUAOQVOV-QGZVFWFLSA-N 403.483 0.773 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](C)N1CCOCC1 491426535 BSIZGMTWHHZCKD-HUUCEWRRSA-N 411.466 0.362 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 497876192 JOENNJBOQQVHKJ-UHFFFAOYSA-N 415.454 0.457 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1 498127689 VBZCZYFVOMFEPI-UHFFFAOYSA-N 417.443 0.481 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CC(C)(C)OC3(C)C)CC2)c1C#N 499346299 OJOJLKMKNMDCHZ-OAHLLOKOSA-N 402.499 0.711 30 20 HCED C=CCN1CC[C@H](N(C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1=O 500016872 SOXDPDZYDZFTFE-ZQIUZPCESA-N 408.524 0.618 30 20 HCED C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](CNS(N)(=O)=O)C1 500306320 JBCSCXXKHVDROJ-VXGBXAGGSA-N 411.553 0.941 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)ccc1F 504302527 MSGNYVGKJYTGRA-LBPRGKRZSA-N 411.436 0.648 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 506750590 AVXLIAIEMFEUTP-UONOGXRCSA-N 409.512 0.887 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCOC2)CC1 507386044 SYICVUZIFVDLPC-CQSZACIVSA-N 413.434 0.998 30 20 HCED N#Cc1cccc(CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 507497070 QQGOVDXEDRYYAX-UHFFFAOYSA-N 407.478 0.929 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508951144 LZERUSKBFAFNRV-JKSUJKDBSA-N 411.528 0.599 30 20 HCED C=CCN1CC[C@H](N(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1=O 513049871 BWDYEVUOSUTXBE-INIZCTEOSA-N 424.479 0.839 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)C1 513985115 KRIUDVQHRGNUOI-BIENJYKASA-N 417.491 0.465 30 20 HCED Cc1ccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1S(=O)(=O)NCC#N 517481658 ZSLWZOCMKZQQKI-UHFFFAOYSA-N 416.525 0.245 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cn1 525617568 SGQULVZOGLQXFV-UHFFFAOYSA-N 421.465 0.453 30 20 HCED Cc1nnc(-c2cccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2)n1C 527090178 KPCUKCAOUZQSBA-UHFFFAOYSA-N 421.465 0.997 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 530654689 RHXSBZFOXVDYCS-UHFFFAOYSA-N 400.485 0.447 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1 531524007 BOWXGMACESFTDP-GFCCVEGCSA-N 417.369 0.978 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCS(=O)(=O)CC2)CC1 537254742 OBTMJCLBGJQSBI-SFHVURJKSA-N 408.499 0.655 30 20 HCED COC(=O)CCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C 538675448 KLQFLFVSYHDKID-OAHLLOKOSA-N 407.492 0.569 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 544179165 ZVSBBGGNBLHMLI-UHFFFAOYSA-N 403.483 0.276 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2csc(-c3ccccn3)n2)CC1 545154589 UISXKGGSGNRQGB-UHFFFAOYSA-N 414.491 0.590 30 20 HCED COC(=O)c1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1OC 550620445 YQJFGTLANHMOMC-UHFFFAOYSA-N 417.443 0.948 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 553434816 SLTKJMCLJUMAIS-KRWDZBQOSA-N 405.495 0.857 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 554321539 BVJCSNNWICHKGP-WFASDCNBSA-N 414.509 0.918 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1cccc(Br)c1C#N 561474008 KUNQLDLEVMQKAN-GFCCVEGCSA-N 418.313 0.634 30 20 HCED COCCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 563832179 ACGCCNRUTDOLQL-QZTJIDSGSA-N 414.462 0.039 30 20 HCED COC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 564071384 UQPZYZDMPCPZJA-IIBYNOLFSA-N 412.446 0.187 30 20 HCED C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 570609222 SFVHMEGTVSEBBC-UHFFFAOYSA-N 419.511 0.972 30 20 HCED CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 573469123 AXXZGJKJUOJVCJ-MRXNPFEDSA-N 405.474 0.477 30 20 HCED COCCCN(CCO)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 576306590 AYUHDSBODURDTJ-QGZVFWFLSA-N 402.451 0.027 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1F 576746159 FRNPOKJOCXZDRV-LSDHHAIUSA-N 409.439 0.831 30 20 HCED CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 576901431 XFIVEQOZIXLUIL-MOPGFXCFSA-N 411.506 0.968 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)c1 588781285 CTIZLTDELPNZBG-GOSISDBHSA-N 424.505 0.509 30 20 HCED C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589128954 WQNZCBZKJLAOFD-GUYCJALGSA-N 412.494 0.671 30 20 HCED COc1ccccc1NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1 590236850 NWWADEJBSQAKCR-UHFFFAOYSA-N 422.445 0.683 30 20 HCED CC(C)N(CCCNC(=O)CSc1nc(N)c(C#N)cc1C#N)S(C)(=O)=O 603905811 URLGJNKFZXZBIJ-UHFFFAOYSA-N 410.525 0.676 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074704 MZEHNSXFJCUMLA-UHFFFAOYSA-N 423.416 0.779 30 20 HCED Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCO[C@@H](C#N)C2)c(C)c1 611643302 LKBJXNCOIUAEKC-ULQDDVLXSA-N 407.492 0.487 30 20 HCED N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 615591881 JZRSXTKOBCZUAV-DNVCBOLYSA-N 403.462 0.929 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)CCOC)cc1)[C@@H]1CCS(=O)(=O)C1 623961304 FUQPPWHFCIHZDX-OAHLLOKOSA-N 401.506 0.922 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](c3ccc(F)c(F)c3)C2)c1=O 727427199 ACONVKZLINTLCX-KRWDZBQOSA-N 420.416 0.853 30 20 HCED N#C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCO1 729979305 DXOLPFULBZPNIB-ZIAGYGMSSA-N 405.432 0.375 30 20 HCED N#CCOc1ccc(CC(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)cc1 732366105 PJEFVIRJYXGLPO-UHFFFAOYSA-N 403.416 0.961 30 20 HCED C[C@@H](CCN(C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 744907913 LUJQXLCPUZUSKO-AEWZPABSSA-N 423.539 0.894 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 746286664 BVSVSYYMMOUTBH-UHFFFAOYSA-N 407.473 0.257 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(NC(C)=O)cc2F)CC1 747277133 HJSXQLAWDTXCJB-UHFFFAOYSA-N 410.471 0.230 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)OCc1nnc(-c2cccc(C#N)c2)o1 748145908 MIQKILQFWVLTLI-UHFFFAOYSA-N 408.436 0.996 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)C1=O 748558174 UYFNKYZTSMJQSR-GFCCVEGCSA-N 403.391 0.056 30 20 HCED N#CCCN(C(=O)COC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccccc1 749325215 CKZZYSHICZIOHE-UHFFFAOYSA-N 405.436 0.411 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COCCNC(=O)OC(C)(C)C 757060517 OXMDUIRFXYBXPY-AWEZNQCLSA-N 404.471 0.927 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(=NOCCCN3C(=O)CNC3=O)CC2)cc1 758409053 GVTDEUZTOZYFSV-UHFFFAOYSA-N 424.479 0.794 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(C3CC3)s2)c1=O 761835999 MZXTWMIHLCPRRH-UHFFFAOYSA-N 416.528 0.672 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCCOc2ccc3c(c2)OCO3)CC1 765423315 GZRGTYZSIKWFIW-UHFFFAOYSA-N 401.463 0.858 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)CC1 769407133 YNPZUZKUDXWGIK-UHFFFAOYSA-N 403.508 0.673 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(N2CCNC2=O)c1)c1cc[nH]n1 770831691 JVRXFZMIZBPORJ-UHFFFAOYSA-N 400.395 0.862 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC2(CO)CCC2)c1 773767182 YLZUSTNVAZNDLP-QNGOZBTKSA-N 408.480 0.469 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2=O)cc1 778810557 BMPTYJGCQIIEPL-WCWVYFQPSA-N 423.425 0.759 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 780045610 BGAQARNCCLCQRT-HOTGVXAUSA-N 415.494 0.975 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 783012803 XTHNYOIKPGKCNB-KBPBESRZSA-N 405.517 0.911 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 783464910 NZFOVVTVPCODCE-MRXNPFEDSA-N 404.426 0.965 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(NC(=O)C(C)C)cc1)[C@H]1CCS(=O)(=O)C1 783479302 BYFXOYDKSCLTRV-INIZCTEOSA-N 405.476 0.869 30 20 HCED COCCNC(=O)[C@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 783673393 NLAZMGOLZNXYQG-SWLSCSKDSA-N 402.407 0.458 30 20 HCED C#CCOCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 785159928 PEHNAUVFMLXPHB-UHFFFAOYSA-N 407.492 0.372 30 20 HCED N#C[C@H](C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787058588 GPFNKTTXESRBAW-JNFQDSBJSA-N 422.397 0.727 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1 787755718 MQORSLNNFXHEDB-UHFFFAOYSA-N 408.462 0.634 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CCC(=O)N3COC)C1=O 787947020 XWWUMBLUCGHGKO-UHFFFAOYSA-N 400.391 0.485 30 20 HCED C#CCC1(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 788510292 APLOBCDZCPOBSM-KRWDZBQOSA-N 409.552 0.408 30 20 HCED CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1 789369096 VSFVUMAYDAYSQM-OLZOCXBDSA-N 411.480 0.209 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCc3nn(C)cc32)CC1 794514051 HLAWBFPWVWPZHO-UHFFFAOYSA-N 403.512 0.904 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CCN1C1CC1 806896730 KQUQEMYNLPFXFE-OAHLLOKOSA-N 414.441 0.883 30 20 HCED CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 813564425 CIJNJSURXGDTDT-HZMBPMFUSA-N 417.491 0.520 30 20 HCED CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 813983884 GGYXKXCQNLDBSF-ZDUSSCGKSA-N 410.452 0.784 30 20 HCED C[C@@H]1COCCN1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 816681985 MDXFIIICJBNGRA-OAHLLOKOSA-N 420.535 0.827 30 20 HCED N#Cc1cc(S(=O)(=O)NC(=O)CCCCNC(N)=O)ccc1Br 821618447 HCYYMFVLPAQWDH-UHFFFAOYSA-N 403.258 0.964 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1CCCS1(=O)=O 919363303 WZPDIFBYNXNZAN-AWEZNQCLSA-N 409.464 0.909 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2=O)cc1 1116481963 AGKLRVAXBOTCOC-GQIGUUNPSA-N 417.487 0.764 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 1157761167 RRKOLLPLLCQYPH-DGCLKSJQSA-N 415.493 0.081 30 20 HCED COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1234035471 FPPVOEQDNPZMTI-ZOBUZTSGSA-N 401.467 0.472 30 20 HCED N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1256280218 VBZCKGVDCMMKOL-SJORKVTESA-N 410.927 0.826 30 20 HCED N#Cc1cccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 1308629573 UQWHUQZDNJDWHA-UHFFFAOYSA-N 413.459 0.791 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1314389904 FUJVFDGAWZRKHX-MRXNPFEDSA-N 422.555 0.816 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1 1314675387 NQDYLIPMWGVZKL-UHFFFAOYSA-N 404.500 0.757 30 20 HCED CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C1CCN(S(C)(=O)=O)CC1 1319100628 NSRAXKXODPBIGP-HNNXBMFYSA-N 404.492 0.794 30 20 HCED 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0.635 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H](C)OC)C3)C2)c(C#N)c1 1783989710 HVJFEMMZSCJQAG-VFNWGFHPSA-N 401.463 0.974 30 20 HCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1784016216 ZXYZSXZSPGUMNL-VQTJNVASSA-N 422.482 0.102 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(O)cc(O)cc3O)C[C@@H]21 1784384894 NBJQUQVJINTNTF-YEWWUXTCSA-N 400.431 0.810 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C(=O)OCC)CC3)C[C@@H]21 1784504795 JNMWYIQLVSQRGO-QZWWFDLISA-N 408.495 0.901 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnccn3)[C@H]2C1 1785926940 GWGWJWJFKOTHEJ-ZOBUZTSGSA-N 400.483 0.352 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3ccccc3)[C@H]2C1 1786559508 ZKHSLWVEJADRBG-XIRDDKMYSA-N 402.472 0.846 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)C1CCOCC1 1786611902 GHUZHGZSJLUUAJ-OQXDRWNPSA-N 423.510 0.922 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@@H](N)C(N)=O)C[C@@H]21 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C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2nccn2)n[nH]1 1820982667 FVNZLSUZVRHPDT-IDTUSYRASA-N 412.454 0.552 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)C1 1829667794 BSLLKJIMLNNBLR-SFHVURJKSA-N 405.411 0.354 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5ncccc5n4)C3)C2)C1 1829668544 VAEXSOOECDYKDZ-NRFANRHFSA-N 411.462 0.766 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)Nc4cnccn4)C3)C2)C1 1829669447 YYFSWBJDNOKGGK-HRAATJIYSA-N 415.494 0.700 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(C)CC3)CCO2)C1 1829894608 PGTWMPFSQVQNHF-UWJYYQICSA-N 424.542 0.586 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn4ccncc34)C2)C1 1830056772 SDZVFGWAQZPBJL-HXUWFJFHSA-N 412.450 0.349 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccc(O)cc1)CCO2 1830343118 ZNCOKKFRSUTSAE-FQEVSTJZSA-N 403.435 0.531 30 20 HCED O=C(C#CC1CC1)N1CCO[C@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1831209575 XQXDUCFTAMPOMS-OBFZPWGMSA-N 404.507 0.655 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nc3)C2)C1 1831387079 LAROZDYKXJQGEV-KKSFZXQISA-N 417.462 0.199 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1831394208 YVNDYLXGCUWFOF-DYESRHJHSA-N 401.463 0.119 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3OC)C2)C1 1831397689 VYKFTYYEJGUZNB-VGOFRKELSA-N 416.474 0.804 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c(C)c3F)C2)C1 1831406044 QVVQXGIZBRHIER-FQEVSTJZSA-N 424.473 0.910 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1ccc(OC)c(OC)c1)CCO2 1832098730 GEUIKUWNOMCAAS-QFIPXVFZSA-N 416.474 0.726 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(=O)c1ccc[nH]1)CCO2 1832882415 PFFOWRCJKJPVCE-OAQYLSRUSA-N 416.478 0.004 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)Cc3cncnc3)CC2)CC1 1833463502 NKBGAGYMGFUWNO-KRWDZBQOSA-N 413.522 0.629 30 20 HCED COc1cc(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](C)S)CC3)CC2)n(C)n1 1833956020 QRLUIYSHWWCDNX-CYBMUJFWSA-N 409.556 0.932 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(=O)cco3)CC2)CC1 1834342805 UJXMPBXQSJHVHE-INIZCTEOSA-N 415.490 0.863 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(=O)oc3)CCO2)C1 1834596840 NGDNOZQFMIREPG-QRWLVFNGSA-N 421.450 0.511 30 20 HCED Cc1nn(C)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1F 1835340598 BNHHJADIZAHMJD-IBGZPJMESA-N 405.430 0.241 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)N1C[C@H]3C[C@H]3C1)CCO2 1837289713 UOCLDFZXCMPYHS-VWNVYAMZSA-N 403.523 0.587 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1837400984 RXJHTMDCHIVOIP-KGVIQGDOSA-N 423.554 0.358 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccnnc3)C2)C1 1837441096 RFUCLCYEYDORHV-IYHCKTHZSA-N 416.482 0.018 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)C(=O)N(C)C)CC2)CC1 1837812733 PCDOZCKZBBACCK-KRWDZBQOSA-N 409.527 0.646 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838204690 YMSLIQIPCACZAO-FOIQADDNSA-N 407.467 0.626 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(COC)c[nH]3)CCO2)C1 1838512322 NNPMSTGCOWPAGY-IERDGZPVSA-N 421.494 0.822 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C)nc3O)CCO2)C1 1838667634 NMPRDUUKLMSCAO-IERDGZPVSA-N 419.478 0.757 30 20 HCED Cc1ccn(C)c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1838821434 QJXTXXXGBKXQSS-NRFANRHFSA-N 411.462 0.917 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1 1839227202 MSERXXWRXQUURI-OXQOHEQNSA-N 419.482 0.656 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnn1)CCO2 1839705411 FXSHGHAZFMFGAH-MAUKXSAKSA-N 409.512 0.215 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1840167741 KAAWBQVDIKGSDQ-UGKGYDQZSA-N 414.506 0.211 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3ON=C(c4ccccc4)O3)C2)C1 1840173866 VNDLVUOKPWGCAM-NHCUHLMSSA-N 415.446 0.754 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccc(C)cc3)C2)C1 1840176692 QYCYGJTYOVNCKX-QFIPXVFZSA-N 415.490 0.757 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463618 RXLFZZGLGTXQSR-HKUYNNGSSA-N 410.540 0.373 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C(=O)OC)cc1C)CCO2 1840787315 UHFMNTFUDMHFPE-OAQYLSRUSA-N 400.431 0.485 30 20 HCED N#Cc1cccc(CCC(=O)N2CCCC23CN(C(=O)CN2C(=O)C=CC2=O)C3)c1 1841260948 MYVQQHHVFNAFNO-UHFFFAOYSA-N 406.442 0.619 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1nc3ccccc3n(C)c1=O)C2 1841600094 FQZDEERRAGPZCP-OAHLLOKOSA-N 408.458 0.789 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1)n1cnnn1 1843419498 NBMVXWVLAAPCJL-URWSZGRFSA-N 400.464 0.938 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1)N1CCN(C)CC1 1844302052 YBXKYDHPIUMMOL-KPQBVPQESA-N 421.542 0.355 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1846370171 YXIINZPWFFWLMV-MELADBBJSA-N 413.540 0.736 30 20 HCED COCCn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 47876133 WXDJXFONBBOLTD-UHFFFAOYSA-N 418.479 0.940 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 409549883 PGMGUYIVNQLGDO-UHFFFAOYSA-N 424.479 0.280 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 409589889 YYWOJMPHIOVSRR-HNNXBMFYSA-N 414.509 0.030 30 20 HCED CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 434814126 MWOVEIVDNHGPTC-AWEZNQCLSA-N 409.512 0.982 30 20 HCED C[C@H](CC#N)N(C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 439324636 IWIJFAKWTLOITJ-PBHICJAKSA-N 400.435 0.400 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H](C)C1=O 440977628 AZHPPVFLIRIJCW-OAHLLOKOSA-N 423.477 0.852 30 20 HCED CCN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H]1CCNC1=O 443243430 KDSGSGYJWZPNSK-KRWDZBQOSA-N 411.462 0.945 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(S(=O)(=O)N(C)C)c(C)o3)CC2)c1C#N 471685748 BVWCCWXXPRUVEQ-UHFFFAOYSA-N 420.495 0.714 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CC2)c1C#N 472105124 ZVKWDLFBFUIWHX-UHFFFAOYSA-N 421.461 0.728 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OC 481785406 JKDGORAMBQQJOL-YCRPNKLZSA-N 415.446 0.846 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2nc(C(=O)OCC)cs2)C1=O 482951025 ANFZLWNUKLZSFJ-LBPRGKRZSA-N 420.447 0.960 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC 484603894 PXBJKOGUGQAJAU-UHFFFAOYSA-N 411.480 0.735 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 490045288 AKRRBTMJNYXTIB-HNNXBMFYSA-N 411.447 0.986 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)cc2F)CC1 491210926 AGTNZFLXUPQCDQ-UHFFFAOYSA-N 406.458 0.998 30 20 HCED C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 498985582 PMZSETVZZXWXFL-NEWSRXKRSA-N 420.535 0.097 30 20 HCED C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1CO 498989392 FRGORIYUQOJDBD-FUHWJXTLSA-N 420.535 0.484 30 20 HCED CN(CCC#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 501992840 WXLYSGFBZAKZCB-INIZCTEOSA-N 412.537 0.934 30 20 HCED Cc1cccc(NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c1C#N 504338905 OITMYELRQQAQQB-GFCCVEGCSA-N 407.473 0.818 30 20 HCED C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 508460884 GJLJXDUIOKFUSQ-UHFFFAOYSA-N 402.480 0.996 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)C1=O 508597447 HOZCOQRGOUQPQT-UHFFFAOYSA-N 422.463 0.679 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C 508775381 ZCKBJSYILOXDHD-LBPRGKRZSA-N 407.475 0.763 30 20 HCED C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508851335 ZAGRKIOXHWOKEG-ZDUSSCGKSA-N 402.459 0.822 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 508999174 GJGFGRONBNGMPJ-AWEZNQCLSA-N 402.480 0.748 30 20 HCED COCCCN(C)CCNC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513198324 CFRMYEIRHVEBRE-UHFFFAOYSA-N 402.430 0.906 30 20 HCED Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)c1 521567185 DCNCSGOXQBVIRE-UHFFFAOYSA-N 423.473 0.862 30 20 HCED N#CC1(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CCOCC1 522342935 WDAVKQUOSJRYNM-UHFFFAOYSA-N 408.299 0.978 30 20 HCED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 526038206 HJULESWNDDNKMY-CYBMUJFWSA-N 415.446 0.033 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)COc1ccccc1 532221736 XBFUMXNAARMMOV-GOEBONIOSA-N 403.460 0.781 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 532800356 VTPCHPXHKQQFRC-UHFFFAOYSA-N 407.854 0.916 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O 541362105 VNCKIZCXHDLBNJ-OLZOCXBDSA-N 411.480 0.802 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 542829682 UZFIBVXPVQMFEV-MRXNPFEDSA-N 404.519 0.380 30 20 HCED Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)CC2)c1C#N 562811667 JONULJQQBXKLRO-ZDUSSCGKSA-N 412.541 0.579 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)C2=O)cc1 564065773 CLURHJRZVGEJRM-MOPGFXCFSA-N 409.490 0.867 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1 564790981 ZXXZBJMCFXDISZ-IAGOWNOFSA-N 416.478 0.402 30 20 HCED CCOCCC1(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 579644158 QJBXLWXDKIHYOE-UHFFFAOYSA-N 402.499 0.572 30 20 HCED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)Nc2ccc(C#N)cc2OC)cn1 580809801 OTSKUOAXJHGLSX-QAPCUYQASA-N 410.434 0.858 30 20 HCED COc1ccccc1OCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 585683918 WCPFYNUVRKTUAM-UHFFFAOYSA-N 400.439 0.458 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2CCCOC2)CC1 585773653 YSKBIHYZVFVJHJ-AWEZNQCLSA-N 413.434 0.998 30 20 HCED CCc1nc(CN2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cs1 588126645 NZGVQGDLRBEBAQ-UHFFFAOYSA-N 404.540 0.454 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CN(C)CCO1 589138724 GKQHDWYMOFTIRW-XLIONFOSSA-N 413.522 0.428 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 604043175 WREDYRQYCHYEHQ-AWEZNQCLSA-N 417.505 0.992 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)C1=O 604339101 TZCHVPPKOPLHPK-UHFFFAOYSA-N 403.782 0.983 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOC[C@@H]3CCOC3)CC2)cc1 609471466 MRDIGIMKTKOAKT-QGZVFWFLSA-N 422.507 0.627 30 20 HCED N#Cc1cccc(CNC(=O)CN2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 610004705 ADRJVIRYVDONFJ-UHFFFAOYSA-N 421.505 0.623 30 20 HCED CC[C@H](C#N)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 611148423 LKIFZHNJYAZYCC-TZMCWYRMSA-N 421.928 0.840 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1 612230232 UTZPAVBZSDOSGN-UHFFFAOYSA-N 402.432 0.600 30 20 HCED CS(=O)(=O)CCNC(=S)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 729153856 KKLWOPDTCLBHSF-UHFFFAOYSA-N 424.527 0.907 30 20 HCED N#C[C@@H](C(=O)CCn1cc(Br)cn1)C(=O)N1CCS(=O)(=O)CC1 732907883 FOAKLOQKMCXRIM-NSHDSACASA-N 403.258 0.002 30 20 HCED Cc1cccc2c(=O)n(CCC(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cnc12 732910541 RGZUMTVLFAFYNU-OAHLLOKOSA-N 416.459 0.061 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1 733148507 BLEPGCHEYUUSFN-UHFFFAOYSA-N 412.490 0.476 30 20 HCED CC(C)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733156588 FROJYQSJWVFKPB-MRXNPFEDSA-N 407.540 0.113 30 20 HCED CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2nnnn2C2CC2)C1=O 742213239 FKYBMSOCGBXLRW-IKRFMFEDSA-N 414.495 0.582 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 743887443 AQICEHHSWRVBLZ-KRWDZBQOSA-N 403.410 0.626 30 20 HCED C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 746308113 OJNIXLXLMOCAOC-MRXNPFEDSA-N 400.479 0.722 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1 746553365 BOOVIHDHFQSWDK-GOSISDBHSA-N 405.414 0.838 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746944177 YEDCTAWZERLTKG-WLRWDXFRSA-N 401.423 0.232 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccs2)c1 747494047 BWJIIQLTPYABCQ-UHFFFAOYSA-N 408.461 0.684 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)CC[C@@]23C)CC1 747880621 UTVJECVDOIJKCU-QHCPKHFHSA-N 422.485 0.973 30 20 HCED C#CCN1CCN(C(=O)CN2CCC(CC(=O)N3CCN(CC)CC3)CC2)CC1 748818228 SFOWYVUXOXMDBU-UHFFFAOYSA-N 403.571 0.030 30 20 HCED C[C@H](CC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 770890357 SGMKZALCFFGTSG-PJIJBLCYSA-N 407.492 0.958 30 20 HCED C#C[C@@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)[C@@H]1CCCO1 773563237 SYZNMLHAFXYMQZ-SJORKVTESA-N 408.499 0.984 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC2)cc1)[C@H]1CCCO1 773807488 YAZFGRUDQKBAIT-DLBZAZTESA-N 405.476 0.705 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCC)c(F)c2)c1=O 782793153 OZQJFRDTCVRWMN-UHFFFAOYSA-N 411.458 0.862 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 783479884 GVDGHYMJAYMXER-GFCCVEGCSA-N 400.403 0.918 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(N3CCNC(=O)C3)ccn2)[C@H](C#N)C1 787268938 JNUKSUDXOPUTBY-CZUORRHYSA-N 414.466 0.507 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCOC 794581962 MSCXYGGJSBBZMZ-UHFFFAOYSA-N 403.508 0.363 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795198028 RYAWLICKGYFXFA-WMLDXEAASA-N 423.542 0.783 30 20 HCED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 795835074 OALKBVDUPTWTJF-DLBZAZTESA-N 415.368 0.970 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C 799257778 JQPGISZCJVDART-MRXNPFEDSA-N 423.491 0.260 30 20 HCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 802475121 AGTSBJOPXRLAQE-GOSISDBHSA-N 414.466 0.716 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c(F)c1 802570273 LLIMDMKTPVYVJI-UHFFFAOYSA-N 413.384 0.727 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 803138038 WAFXWODXWNNEDG-HOTGVXAUSA-N 422.526 0.995 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccncc1 805807553 JZOYJIZKVAIIIZ-IEBWSBKVSA-N 413.522 0.970 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1F 806544551 IXZXHQRAPNWLBE-CCEZHUSRSA-N 411.415 0.382 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 807338573 KFHKXBORCVYPNY-QGZVFWFLSA-N 405.458 0.707 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1C#N 809503732 HYRWHBNHZFRJNE-QGZVFWFLSA-N 400.479 0.754 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C2=O)cc1 812500474 XNYGXIPHJYMZHH-MRXNPFEDSA-N 412.427 0.704 30 20 HCED COCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1 813981329 ZMYYUTGVPDYCDW-UHFFFAOYSA-N 409.445 0.492 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CCC1 814251931 XLYSOUWJKROTOQ-UHFFFAOYSA-N 415.519 0.414 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 915654350 QMUGOHYREKYTFZ-KRWDZBQOSA-N 402.476 0.594 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 918352643 BJEPCWYNWLXGFW-UHFFFAOYSA-N 401.448 0.326 30 20 HCED Cc1nc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)ccc1C#N 1116216777 WMDBQFMGCFYKMD-UHFFFAOYSA-N 401.467 0.477 30 20 HCED N#CCCN1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1302596342 IJWYPWAMALNDGR-KRWDZBQOSA-N 401.467 0.605 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCn3c(nnc3C3CCCC3)C2)c1=O 1340956965 AXVLGTODNXKXQN-UHFFFAOYSA-N 413.482 0.266 30 20 HCED Cc1nsc(N2CCN(C(=O)Nc3ccc(=O)n(CC(N)=O)c3)CC2)c1C#N 1467009339 KFJSNOFXJQETHP-UHFFFAOYSA-N 401.452 0.324 30 20 HCED CC(C)(C)OC(=O)NCCN(CC(=O)NCc1cccc(C#N)c1)C[C@@H](O)CO 1473576032 PBBKGUGNWLPCCL-QGZVFWFLSA-N 406.483 0.354 30 20 HCED Cc1nc(CN2CCC(CNC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)oc1C 1565586918 KTZMTFKIHCBUAB-UHFFFAOYSA-N 414.466 0.844 30 20 HCED CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)CC1=O 1618480216 PGBCKIWOCZJASN-UHFFFAOYSA-N 423.477 0.377 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@]2(O)CCSC2)cc1 1620352318 PGGNLZOIBVONOD-IBGZPJMESA-N 414.491 0.533 30 20 HCED CC1(C)CS(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1654248485 KRYMWGBRZZCICX-HNNXBMFYSA-N 410.565 0.966 30 20 HCED CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3cccnc3C#N)C2)ccn1 1664957083 RBFZDHDDJWTDFL-AWEZNQCLSA-N 401.448 0.940 30 20 HCED CC(C)(O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706200830 SQVAQSDFMLYPQD-INIZCTEOSA-N 424.509 0.983 30 20 HCED CCS(=O)(=O)NCCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710904214 XTZAMNYENGJNQI-INIZCTEOSA-N 407.544 0.346 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749267447 STHZJQNSWOKMDJ-KGLIPLIRSA-N 408.890 0.809 30 20 HCED Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1761905823 IKYPAYRZMFQQAI-KSSFIOAISA-N 404.496 0.937 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)C1 1770729448 ZLUITDJBLWHBEE-ACJLOTCBSA-N 424.502 0.668 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc3n(n2)CCCC3)C1 1779038645 KJJCKTNPZKUSTH-DYESRHJHSA-N 414.462 0.435 30 20 HCED O=C1C[C@@H](C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CCN1 1779067673 WRIHFPCVNBWVDR-HTAPYJJXSA-N 417.506 0.041 30 20 HCED CC(C)NCCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779105916 WIOAWJHBAXFYHU-QBDXXSMVSA-N 410.515 0.733 30 20 HCED CNC(=S)NCCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779139207 QEYCUQLIYIDDKP-QVQQHXNLSA-N 421.523 0.012 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1779286267 QGWNMWDSQWTNPG-ZHOLQYJESA-N 422.482 0.036 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2ccc(O)nn2)C1 1781498370 QEWTYVSNEXVZSM-SNUQEOBHSA-N 410.496 0.393 30 20 HCED C=CC[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CNC1=O)C2 1781737872 OTUNOVJCCRXHSV-BXTJHSDWSA-N 406.483 0.264 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1782363766 KFGMBMJIIOFTNQ-BTYIYWSLSA-N 414.437 0.955 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H]1C=C)CCO2 1783053932 FQIIQSNTSMSKAB-IPHXSNPTSA-N 403.479 0.919 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3noc(C(C)C)n3)C[C@@H]21 1784479018 SZLMXEHBPIPHFB-QZWWFDLISA-N 418.494 0.754 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)CS(C)(=O)=O)C[C@@H]21 1784534482 DBMRWKCEWJQPEH-OLMNGRFOSA-N 420.597 0.601 30 20 HCED Cc1ccn(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)/C=N/N4CCCCC4)C[C@@H]32)n1 1785371671 NWVZQKMPXWVLTC-LFPQPFEKSA-N 416.526 0.643 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4ccccc4C3)C[C@@H]21 1791078063 SWYVTEFGANJYPJ-FYQPLNBISA-N 410.470 0.859 30 20 HCED C=CCOCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnncc1C(=O)O)C2 1793351124 GATUWUHUGRCACP-ZSBFGKGUSA-N 418.450 0.361 30 20 HCED C=CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CC)C2 1793579806 IBJOKIFANRPPPT-NPJQDHAYSA-N 401.529 0.544 30 20 HCED Cn1nncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1794229412 DRRVQZYCERFWTR-FVCICTRLSA-N 420.433 0.080 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1 1796140641 ROIFFMGUJAWYIJ-MBMVNNNZSA-N 406.439 0.497 30 20 HCED CC(=O)N(C)CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC1(O)CCCCC1 1797780609 DJHAMIPYJVQRTF-RMFSNUHRSA-N 419.522 0.143 30 20 HCED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(C#N)c1)C2 1797900215 RDVZXLWCZJEPJX-DQEVTTJGSA-N 408.462 0.689 30 20 HCED 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HCED CCOC(=O)C1(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)CC1 1812467772 DIEMOOINCKXHNB-MAUKXSAKSA-N 413.430 0.519 30 20 HCED COC(OC)C(=O)N[C@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814972389 HIEPMUKJCLIFBB-NSHDSACASA-N 409.512 0.956 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H](N)C(N)=O)n[nH]1 1817360580 YZMTYFZACORIMH-NFAWXSAZSA-N 421.502 0.796 30 20 HCED O=C(/C=N/N1CCCCC1)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1cnnn1)CC2 1819774195 JQUHVNSGLRSXLJ-BFNDQCEFSA-N 417.499 0.214 30 20 HCED C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822607872 UFIYPZXAKYFPAS-YDHLFZDLSA-N 408.524 0.761 30 20 HCED C=CCC(=O)N1CCC([C@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)CC1 1824976108 BPOFCQKBZCBTPI-GOSISDBHSA-N 411.568 0.913 30 20 HCED C[C@@H](S)C(=O)N1CCC([C@@H]2CCCCN2C(=O)c2cc(=O)n3[nH]cnc3n2)CC1 1827048588 WQUXFESLRPIUNN-DOMZBBRYSA-N 418.523 0.969 30 20 HCED C#CCCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CCN1C(=O)C=CC1=O)CC2 1828090912 KBVSDLDJLOMYNT-GFCCVEGCSA-N 400.460 0.784 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(=O)n4C)C3)C2)C1 1829665022 LZZCNCIZOGIPFH-NRFANRHFSA-N 401.463 0.422 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c(O)c1 1831218611 XZQHVSZAANXJPO-QFIPXVFZSA-N 414.458 0.884 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1831420991 CDCZONASDMDHRX-YWZLYKJASA-N 405.451 0.448 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)CS(C)(=O)=O)CCO2 1831464415 OVAXSHFCWIURGH-FCEWJHQRSA-N 416.540 0.336 30 20 HCED C[C@H](C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1)N1CCN(C)CC1 1831673724 WPAYVWQABSBIFQ-IEBWSBKVSA-N 418.538 0.330 30 20 HCED Cc1nc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cs1 1832967077 JBZDKNBGHNQOAA-LJQANCHMSA-N 404.492 0.754 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC1CCN(C2CCN(C(=O)CCCOC)CC2)CC1 1833074312 JBLHREKZBDFZTN-SREVYHEPSA-N 420.554 0.843 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)CCN3CCOCC3)CC2)CC1 1833146815 VCWJUPSSZHIJEK-UHFFFAOYSA-N 419.570 0.830 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833827359 KWMUSQZDLKEYOT-HXUWFJFHSA-N 402.451 0.486 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1C)CCO2 1834321284 FRCDTMXQHCBHRJ-FQEVSTJZSA-N 406.483 0.473 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3F)CCO2)C1 1834999976 VJUYWZXAHICLHW-VGOFRKELSA-N 418.465 0.863 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1835098891 SIRVWKSSVSKSNB-JOCHJYFZSA-N 408.458 0.460 30 20 HCED CC[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)N(CC)CC 1835338549 LAOBUGVEWOTYHF-DYESRHJHSA-N 406.527 0.867 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835405582 BHPYSMOZSUSYSV-IEBWSBKVSA-N 413.540 0.020 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3sccc3[nH]1)CCO2 1837132706 JIEUKHNMWVXGIF-IBGZPJMESA-N 417.443 0.387 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)c4ncccc34)CCO2)C1 1837190929 HEEWMMQRDMMANR-JLTOFOAXSA-N 418.519 0.962 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1837393130 KYSLJXQTZMBKGC-LAUBAEHRSA-N 420.510 0.221 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838759837 AXBSXEFUEZNYLP-FZKQIMNGSA-N 411.528 0.421 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@]1(C)CCCN1)CCO2 1839122579 RMONAUXIUSXIRK-ZLGUVYLKSA-N 409.527 0.158 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1839174618 NQPLEIWKVOXSTF-NRFANRHFSA-N 424.494 0.379 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839235480 XENRTZNMYKENNX-HXUWFJFHSA-N 403.483 0.503 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4N3)C2)C1 1840163205 FIWVKWKWZGJATI-GZRFBZBPSA-N 405.520 0.798 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1840403960 WMGJIQOFYUXMSN-OXJNMPFZSA-N 401.467 0.513 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)C1 1840843092 UGWAYOFHPBRVAC-QFIPXVFZSA-N 423.473 0.955 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1ccc(S(C)(=O)=O)cn1)C2 1841607428 MMSNQEJXQYJOSU-AWEZNQCLSA-N 407.492 0.893 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CN2CCNC2=N)C3)c(O)n1 1842296992 FJSXFKFNTFKLQM-UHFFFAOYSA-N 412.494 0.563 30 20 HCED CS(=O)(=O)N1CCC(C(=O)N2CC3(CCCN3C(=O)c3cc(C#N)c[nH]3)C2)CC1 1844795885 LUBRADXRRJJZMR-UHFFFAOYSA-N 419.507 0.375 30 20 HCED O=C1C=CC(=O)N1CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@@H]1CCCCO1 1847951562 YMFOSWYJZXQJQL-KONYOSBVSA-N 418.450 0.032 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1CC1 32831494 GTYGDSVMYOMTBV-SFHVURJKSA-N 421.479 0.710 30 20 HCED CC(C)(C)OC(=O)N1CCN2/C(=N\C[C@H]3CCCN3S(C)(=O)=O)NC[C@@H]2C1 305250655 JYDVDNNTLSHXID-ZIAGYGMSSA-N 401.533 0.291 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 410115413 GTQAJUIQANFHJU-TZMCWYRMSA-N 402.498 0.057 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccncc2)CCO1 410150605 NIKCUUZJCHMABI-SFHVURJKSA-N 409.512 0.075 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 428258755 FXIQRZSRSLPZFQ-UHFFFAOYSA-N 400.464 0.528 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCN1S(C)(=O)=O 433889014 BLAKZHLDWQDIPI-JTQLQIEISA-N 422.326 0.975 30 20 HCED N#CCC[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 439439862 NARFZWDAFYSYST-KRWDZBQOSA-N 424.461 0.842 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2CCC)cc1 441586490 DXMDFQDONHCZFF-INIZCTEOSA-N 422.507 0.559 30 20 HCED COCCNCCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 442181947 DZFJMGSLIZHCCM-UHFFFAOYSA-N 404.858 1.078 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 442498097 VORLCIBYIWPDDL-CQSZACIVSA-N 410.434 0.941 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cn1 443724392 ZEKLAJOWDIGPPE-UHFFFAOYSA-N 406.898 0.925 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2[C@@H](C)CC(C)C)CC1 446733667 GSDDWCMZAWMFNO-INIZCTEOSA-N 404.515 0.875 30 20 HCED Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)N=c2ncn(Cc3ccc(C#N)cc3)[nH]2)C1 447352883 CNGLJJQGRPUGEX-QGZVFWFLSA-N 418.461 0.698 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 470750535 DYDAOUMNKZZQAO-IAGOWNOFSA-N 402.476 0.392 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCc3cccc(C#N)c3)cn2)C[C@@H](C)O1 475182745 LKSFEQVFFGPQHV-GASCZTMLSA-N 424.461 0.645 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cnc(OC)c(C(N)=O)c1 475234758 RLHVEFDITIFYDA-UHFFFAOYSA-N 411.418 0.674 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 475478979 KTCHLCUMJIXKRG-UHFFFAOYSA-N 413.496 0.983 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 476553492 VLWPRYNZQYPHPK-IAGOWNOFSA-N 407.492 0.018 30 20 HCED CN1CCN(C)[C@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 477596562 IVZNYUAVGWHJTF-QGZVFWFLSA-N 410.526 0.804 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 480934308 KMOIYYWHMCQTEV-UHFFFAOYSA-N 423.454 0.830 30 20 HCED COC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 484965235 ASWQBTPCOWYKCY-LJQANCHMSA-N 410.426 0.935 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1 490360888 FCBFWLBQPNWNAE-OAHLLOKOSA-N 401.467 0.182 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)cc1Br 498995051 BAJTYORTKPDJGW-NSHDSACASA-N 400.254 0.953 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1=O 500486522 OGKBBEUFBTWNHX-IRXDYDNUSA-N 413.478 0.758 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(C(N)=O)n3)C2)c(F)c1 504239966 WKERMNSNUMAQPF-ZDUSSCGKSA-N 410.409 0.915 30 20 HCED C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N1CCN(C(C)=O)CC1 507534360 NFZVINBPGHHEHX-UHFFFAOYSA-N 423.520 0.657 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 509962857 HAWHJOCQDINPJA-INIZCTEOSA-N 405.524 0.672 30 20 HCED CN(CCCNC(=O)CNc1ccn(-c2cccc(F)c2C#N)n1)S(C)(=O)=O 510117981 KXNMKKHBMSVESM-UHFFFAOYSA-N 408.459 0.693 30 20 HCED N#Cc1cccc(F)c1CC(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 512101894 VUDKLKSFQWALFN-QGZVFWFLSA-N 423.510 0.978 30 20 HCED N#C[C@@H]1CN(C(=O)NCCCN2CCC[C@H]2C(N)=O)C[C@]12C(=O)Nc1ccccc12 514024412 KHPVYNGROLSDEH-FNXXIHLHSA-N 410.478 0.381 30 20 HCED CN(CC(=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 514381258 BUOHZLSRCSNKJV-OAHLLOKOSA-N 411.505 0.357 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(CCN(C)C)[C@@H]1CCS(=O)(=O)C1 530940525 SECBKGAMUYZSDV-OAHLLOKOSA-N 408.524 0.786 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 530960679 VSSZCSBODXPBID-UHFFFAOYSA-N 401.488 0.895 30 20 HCED Cn1cc([C@H](CNC(=O)c2ccc(C#N)cn2)NC(=O)c2ccc(C#N)cn2)cn1 533560821 FXQWKFLQCOBMOP-SFHVURJKSA-N 400.402 0.855 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 535163745 USUHWQWCQCACBE-UHFFFAOYSA-N 407.467 0.803 30 20 HCED CO[C@@H]1CC[C@H]2OCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 535859153 FEHZFWQPUYHEJZ-KBAYOESNSA-N 407.492 0.974 30 20 HCED CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCO[C@H](C#N)C3)ccc21 536541133 IEOBZKCJUVRKDV-CYBMUJFWSA-N 400.439 0.707 30 20 HCED CN(CCC#N)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 541573033 YLZCQBSXKPQFSJ-ZDUSSCGKSA-N 420.413 0.990 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)n1 553960076 RNCAMUACINJUAW-UHFFFAOYSA-N 400.418 0.255 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)C(C)C 559867287 GDCWIRDLVWULPN-OAHLLOKOSA-N 421.571 0.584 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 568572036 ZOWJBWBBQORXTR-OAHLLOKOSA-N 411.466 0.550 30 20 HCED Cn1cc([C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C(F)(F)F)cn1 575631880 CFPGKRFHRMVBEL-AWEZNQCLSA-N 401.370 0.990 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1 582455935 SGKICDNZUGQUNL-GOSISDBHSA-N 424.548 0.161 30 20 HCED COCCN(CCN(C)C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659606 UHTXZGSTLSNCPP-UHFFFAOYSA-N 402.499 0.075 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 603497643 GAVSLCVVXUJHEI-UHFFFAOYSA-N 408.461 0.383 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C 604269780 BMIKLYHYLMJYNX-UHFFFAOYSA-N 416.478 0.166 30 20 HCED CN(CCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)S(C)(=O)=O 606016963 IJKMKIJZWHEZBO-UHFFFAOYSA-N 414.487 0.818 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1CCc1cccnc1 609039015 XQDSPWAJRSCEOW-UHFFFAOYSA-N 406.467 0.946 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 609074416 APFGMTKKMJQSFX-UHFFFAOYSA-N 423.416 0.709 30 20 HCED Cc1nc(SCC(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(C#N)c(C)c1C 609447916 AUTIIGKPFOJZAK-AWEZNQCLSA-N 424.548 0.732 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)n2)cc1 610531274 UPIZMZHEARCNIG-GOSISDBHSA-N 423.477 0.460 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)N2CCCC2)CC1 610797966 MGCVJBJEESYPSQ-OAHLLOKOSA-N 419.507 0.585 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 613164053 ZGBNUNVZOHPOGU-UHFFFAOYSA-N 403.468 0.993 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 729370621 BCZHAQHCMPGKBS-HNNXBMFYSA-N 409.483 0.272 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)NC(=O)Nc1ccccc1 729540156 RXFNLFCAVIMSTD-UHFFFAOYSA-N 416.415 0.728 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnnn1-c1ccccc1 730537365 QFIJIJDYMSCYEU-UHFFFAOYSA-N 411.447 0.407 30 20 HCED C#CCN1CCC(C(=O)NC[C@@](C)(COC)NC(=O)C2CCN(CC#C)CC2)CC1 733893301 KGNJTPYFOQWTGW-QHCPKHFHSA-N 416.566 0.314 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)ccc1F 735450577 XUHZMCSMKYISFT-OAHLLOKOSA-N 421.454 0.559 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)cc1 741239165 JMPGSKDABICHHR-QZTJIDSGSA-N 406.504 0.990 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 741638588 OFFGCZHGCRTNCG-ZDUSSCGKSA-N 407.423 0.942 30 20 HCED C#CCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 743489963 WYENEPKJJFUICZ-UHFFFAOYSA-N 421.519 0.730 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 746277887 ATFQFYOZRBMSTM-NUMWXTGKSA-N 400.395 0.919 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 748755742 YJBKHUIKTNFFNU-INIZCTEOSA-N 407.517 0.639 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3ccc(OCC)cc3)n2N)CC1 750002466 DYLQULAGESWENP-UHFFFAOYSA-N 400.508 0.927 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1=O 750102345 CBSBMCJHOQCYKD-KGLIPLIRSA-N 420.466 0.964 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)COC)CC2)cc1C#N 752381961 MJTYXMQLZKDBLN-UHFFFAOYSA-N 417.422 0.382 30 20 HCED C#CCN1CCN(C(=O)CNc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)CC1 754307218 DSYZVLXHXVZDBK-UHFFFAOYSA-N 404.536 0.933 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H](C#N)C1 754388564 ZRFOGKOYDPRJDS-PHODEOQFSA-N 403.439 0.874 30 20 HCED CNC(=O)CNC(=S)NN=C1CCOC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C 762421137 GXEQGUAJRASYCQ-JSGCOSHPSA-N 413.544 0.989 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](CO)[C@H](O)C1 763271851 NJBDIEOPSLVTOO-GDBMZVCRSA-N 409.508 0.487 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C1CC1 767885586 WULBQMDBSWNIOE-UHFFFAOYSA-N 404.517 0.747 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1 770460097 UBKCIFFCXVLFCK-OAHLLOKOSA-N 400.416 0.824 30 20 HCED C[C@H]1OCC[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 771082720 LXWCSOCQKODAOI-ZBFHGGJFSA-N 421.475 0.359 30 20 HCED C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775322714 FUPZFGYLWIZKDV-JKSUJKDBSA-N 408.476 0.627 30 20 HCED C#C[C@H](NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N)[C@@H]1CCCO1 775786029 UXYBKFHJGPAFDW-HOTGVXAUSA-N 419.526 0.947 30 20 HCED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2cnn(C(C)C)c2n1 777317467 DTEVREMGFLAKRX-AWEZNQCLSA-N 403.464 0.900 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c(C)ccnc23)CC1 777953225 KDLQAURNRQBPFY-UHFFFAOYSA-N 400.504 0.989 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784866428 ZXYTVZSLEBNZQR-FXBPSFAMSA-N 400.460 0.533 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)n1 789795178 WECQYBDBLYRMNI-UHFFFAOYSA-N 403.464 0.412 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)[C@@H]1CCCO1 797019547 ISFPDBVIHFYCHJ-CABCVRRESA-N 406.464 0.102 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N=C3C[C@@H](C)ON3)ccc2F)CC1 801180358 FSUXSBJDWNNZQW-LLVKDONJSA-N 412.443 0.531 30 20 HCED CC[S@](=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 803474452 ALDYODSQZKQDMY-LJAQVGFWSA-N 420.447 0.767 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)CC1 805057037 AOYHKXPEANZTMK-OALUTQOASA-N 400.479 0.442 30 20 HCED C=C(Br)CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 806399565 SPJCSXHIPCYBCC-CQSZACIVSA-N 410.316 0.733 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2C)c(=O)n1CCOC 806610253 MVVULQMLZZJBDH-UHFFFAOYSA-N 417.487 0.131 30 20 HCED Cn1[nH]cc2c(=NC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)ccnc1-2 806898395 CSKVPMYQSVZRKQ-MRXNPFEDSA-N 403.446 0.517 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)C1 807511705 BWWAOVCIJNGUCE-OAHLLOKOSA-N 418.502 0.486 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@]2(C)CCOC2=O)cc1 810480013 SKPYHYWUNFADKD-ALDSOSFCSA-N 422.463 0.260 30 20 HCED COCC1(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOCC1 811434133 MAHSOOPWOKMKIY-UHFFFAOYSA-N 406.439 0.490 30 20 HCED NC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 823591033 JXWZROZMUGMIJW-QGZVFWFLSA-N 400.460 0.848 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCN1C(=O)CCC1=O 1003088847 FSUMSIYGYBOLSK-YXTCSXCUSA-N 403.479 0.755 30 20 HCED Cc1cc(C#N)nc(N2C[C@H](n3ccnn3)[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)n1 1051480088 KWKWUMCPWYTBHO-AXSMETJDSA-N 406.450 0.218 30 20 HCED C#CCNC(=O)CN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1205156922 KNHOUHHLXLZAAZ-PKFZQDLRSA-N 423.513 0.233 30 20 HCED Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1298852764 PLXULRCOXKPQSN-SFHVURJKSA-N 404.496 0.573 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)n1 1304762659 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O=C(CN1CCCC1=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1834625137 QWOADQLGIHWBNE-UHFFFAOYSA-N 400.523 0.594 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)c1 1835096683 GCIJDVLUZJHKBN-QFIPXVFZSA-N 408.458 0.542 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(F)cn4n3)C2)C1 1835362811 VDAVHVZPGZVFKT-IBGZPJMESA-N 416.413 0.242 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC3CCOCC3)CCO2)C1 1835416510 VRPUJTFDYPVZER-LAUBAEHRSA-N 410.511 0.851 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CC3(F)F)C2)C1 1835677883 YYXSJHWKVPLXIX-RDTXWAMCSA-N 414.453 0.380 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836010624 PKGYDZGFGDWLEF-UWJYYQICSA-N 405.495 0.995 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc[nH]3)CCO2)C1 1836013819 DOUKDGJLVRLVMC-AVRDEDQJSA-N 419.522 0.977 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnc[nH]3)C2)C1 1837488729 NSXZYAAJMBSMNR-NRFANRHFSA-N 416.478 0.178 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838376296 BXZHMQWKBUQGKS-KRWDZBQOSA-N 412.393 0.464 30 20 HCED C[C@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3Cl)CCO2)C1 1838599596 OCNMFKLFENNSGF-DJJJIMSYSA-N 407.854 0.662 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839639040 GXUOLGPBINANCT-XXBNENTESA-N 413.518 0.835 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)n1ccnn1 1839709977 YUWQCSRDYUBVMU-IERDGZPVSA-N 424.461 0.481 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC(C)(C)C)CCO2)C1 1839989362 YRAANZZJGUSFDV-SCLBCKFNSA-N 417.528 0.286 30 20 HCED COc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n1 1840159238 ZGFAHSKDYJBYNQ-KUHUBIRLSA-N 409.508 0.407 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccccc3)C2)C1 1840167528 WRQUXGYZOWKMQN-IFMALSPDSA-N 400.475 0.980 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(O)c(O)c3O)C2)C1 1840176628 OLRITXUYLYMKMC-GZNAHNRGSA-N 418.446 0.849 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463585 QETNUZDBSBOVAW-OXJNMPFZSA-N 406.483 0.010 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)C2 1841601470 SLLMKEVYPQBOPS-JKSUJKDBSA-N 423.510 0.504 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN3CC(=O)NC3=O)C2)c(Cl)c1 1841892124 WPJXGTOPNBQQRV-UHFFFAOYSA-N 415.837 0.580 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)CNC(=O)N(C)C)C3)c(O)n1 1842296399 OXPRTNAHQPHDMI-UHFFFAOYSA-N 415.494 0.994 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1847806862 YHTOGGJOFROLCW-QAETUUGQSA-N 423.510 0.502 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O 1847942187 KBAWUISNTXXOGV-ILXRZTDVSA-N 405.451 0.746 30 20 HCED Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@H]2CCCCO2)c(=O)[nH]c1C 1848322525 ZEAOMHQDAZUWFS-PFUYZROFSA-N 417.466 0.731 30 20 HCED CCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 58910715 APYZYUIMMQNPAS-UHFFFAOYSA-N 409.468 0.663 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 410391148 KNINPDDDYDYQIV-IBGZPJMESA-N 410.540 0.974 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 426953240 GRFPWPRMRIMRNW-RHSMWYFYSA-N 424.461 1.212 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 434761607 AFPJCXJAWPDLHH-HNNXBMFYSA-N 401.467 0.903 30 20 HCED N#Cc1ccc([C@@H](C(N)=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 439275301 PNWHHFVILXIYRJ-AWEZNQCLSA-N 419.429 0.535 30 20 HCED Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c1C#N 441871788 UBKPJRVCPQDUGI-CQSZACIVSA-N 408.480 0.410 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C1CC1 441942487 PQVXTWMMXFSRLG-ILXRZTDVSA-N 416.482 0.608 30 20 HCED C[C@H](C#N)CN(C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CC1 441942489 PQVXTWMMXFSRLG-RBSFLKMASA-N 416.482 0.608 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1 443260901 IWPPSRKFMBJAOB-QXWBOSQLSA-N 419.503 0.659 30 20 HCED CN(CC(=O)N[C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(Br)cc1 478642554 ZSXVKDWYNDJPLB-CQSZACIVSA-N 402.270 0.868 30 20 HCED COCCCN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H]1CCS(=O)(=O)C1 481881699 TXONOAPTESWYPJ-KRWDZBQOSA-N 417.491 0.992 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 482177598 GTVZQYQGLCNLRB-DOMZBBRYSA-N 402.480 0.504 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1 482236055 AIXNPXBKUUYELR-UHFFFAOYSA-N 402.358 0.945 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 482432545 DMDALCMAMQOFJU-LBPRGKRZSA-N 420.520 0.734 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@]2(CCOC2)O1 485045056 QSYXBCHNEJHXMX-OXJNMPFZSA-N 410.434 0.874 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 489110545 RJUMPFWFZHKCNL-JTQLQIEISA-N 404.370 0.416 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 490044544 RYNNAEBTMVSLIO-INIZCTEOSA-N 408.480 0.926 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cn1 500048159 KPFCGKPQTXOYQT-UHFFFAOYSA-N 405.524 0.956 30 20 HCED C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)CC(=O)N[C@H](C)C(=O)N(C)C 506883398 FYFKVHWZZIGNLS-GFCCVEGCSA-N 423.470 0.637 30 20 HCED CN(C)S(=O)(=O)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C(F)(F)F 507071158 SWZLTJOSLZSAHM-NSHDSACASA-N 410.349 0.574 30 20 HCED Cn1cc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c(=O)n(C)c1=O 507932161 BNAUCMDLOMGICY-UHFFFAOYSA-N 419.463 0.019 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCC#N 507954005 WNKKZEOGCDVTAK-ZDUSSCGKSA-N 407.901 0.451 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508507000 RRFSNVFYOVQGBF-JKSUJKDBSA-N 424.571 0.403 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 508864959 RQKVUCWUULHXLQ-CQSZACIVSA-N 419.511 0.375 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)n1 512110319 PCZPITHGJDTBFS-UHFFFAOYSA-N 403.399 0.756 30 20 HCED Cc1cnc(CCNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nc1 519552855 FHRMEYZWVDVAAQ-KRWDZBQOSA-N 406.446 0.627 30 20 HCED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 531131047 IWTIMTUVDAOHRY-UHFFFAOYSA-N 420.475 0.714 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 534098437 WQKSJNCBCMPOKI-UHFFFAOYSA-N 415.483 0.307 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1C 536451384 YAJVEAXZBOLACQ-HOTGVXAUSA-N 410.434 0.448 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)n1 536975843 VRLWGZOAPUIRLV-UHFFFAOYSA-N 409.450 0.828 30 20 HCED COCCN(CC(=O)N(C)C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 540463046 CMJINYFFSKCMFV-MRXNPFEDSA-N 407.540 0.494 30 20 HCED C=CCN(C(=O)Cc1ccc(S(=O)(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 545384074 MIWJQCHKOQGVGL-HNNXBMFYSA-N 400.522 0.729 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCO)CCOCC(F)(F)F 550139127 ZJITTZDMHBWDMC-LBPRGKRZSA-N 423.413 0.625 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](CC)C(=O)OC)CC2)cc1 553280104 RKUWWOGTYUYSIX-QGZVFWFLSA-N 409.508 0.860 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 557746046 DKSJXXMPUUVZMF-UHFFFAOYSA-N 404.430 0.967 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 558872888 QNGCCQQFNBJPBF-INIZCTEOSA-N 401.510 0.765 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](CCO)CC(C)C)CC2)c1C#N 568809851 CQBUOCNMPMNGER-MRXNPFEDSA-N 404.515 0.410 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(C)cc2SC)CC1 583461686 XWIXYLFVXJREOP-UHFFFAOYSA-N 404.536 0.780 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCOC[C@H]3CCOC3)CC2)cc1 588107842 MFNIIFUUGGENJA-IBGZPJMESA-N 400.479 0.372 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)CC1 588125889 QOZAVUSZWCZIBU-KRWDZBQOSA-N 411.506 0.759 30 20 HCED COc1cc([C@H](C#N)NC(=O)CSCC(=O)N2CCOCC2)cc(OC)c1OC 609006140 BIKBKGLVOAZJAS-AWEZNQCLSA-N 423.491 0.985 30 20 HCED CC(C)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)NS(C)(=O)=O 611544203 AXWMSRIDNVYCNL-HNNXBMFYSA-N 407.496 0.681 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 615253698 BCNVTRCSWZDJJF-UHFFFAOYSA-N 408.480 0.249 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CC1 670786557 XGEDKGLFECKFLD-UHFFFAOYSA-N 400.527 0.216 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(N)=O)c2=O)cc1 679753561 VRCHKMMEQNOJQB-UHFFFAOYSA-N 411.483 0.666 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)CC1 729256757 HFICTHVCZUNBQO-HNNXBMFYSA-N 409.483 0.272 30 20 HCED COc1ccc(-c2n[nH]c(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)cc1 732466422 NQBZQHJMERONOC-FBMGVBCBSA-N 411.422 0.806 30 20 HCED CC(=NNc1ccnc(N(C)C)n1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 739412378 XHLYMTFWXSYNQM-UHFFFAOYSA-N 403.512 0.973 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745497885 XHPKHMUMUHKURL-NSHDSACASA-N 408.436 0.059 30 20 HCED C#CCN1CCN(C(=O)CN(CC(=O)OC)Cc2cc(OC)cc(OC)c2)CC1 746502544 FVCIOMSANXDXHK-UHFFFAOYSA-N 403.479 0.456 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cn1C 750621183 SOWZTQYMJUZXBC-UHFFFAOYSA-N 411.484 0.235 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1C#N 752396082 DIEKWSGMFOISNF-HNNXBMFYSA-N 417.422 0.429 30 20 HCED N#Cc1cccnc1NCCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755300215 CDQVEHPUWILXLH-UHFFFAOYSA-N 420.417 0.978 30 20 HCED CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 757592703 JYGPBRVDXCXKIC-OLZOCXBDSA-N 407.471 0.972 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O 761369970 BPQWUSDADGLAQI-QWHCGFSZSA-N 424.454 0.104 30 20 HCED COC(=O)N[C@@H](C)C(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 762038533 PMVXGHIJJXERNZ-SWLSCSKDSA-N 403.395 0.697 30 20 HCED Cn1c(C=NNc2c(F)cc(C(=O)NC3CC3)cc2F)nc2c1c(O)nc(=O)n2C 763185521 HWMVAZYYRFTTRP-UHFFFAOYSA-N 417.376 0.989 30 20 HCED COC(=O)[C@](C)(O)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 763232054 LZBQEYZEXWDKMI-GOSISDBHSA-N 411.480 0.326 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)Cc1ccc(F)cc1 767136695 UVIQMAIGDAAVCM-OAHLLOKOSA-N 405.451 0.974 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1CCc1cccnc1 767891262 MLLHOIIPEGOTSH-UHFFFAOYSA-N 423.523 0.786 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)NC1CCCCC1 768884574 OYBMSTMRIPQHBB-UHFFFAOYSA-N 407.496 0.473 30 20 HCED CCCN(C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)[C@H]1CCS(=O)(=O)C1 770825473 VDZIDAYWAXBVJR-LBPRGKRZSA-N 400.457 0.119 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 771199014 XFKBXUARNHKXQO-UHFFFAOYSA-N 411.459 0.367 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCN2CCNC(=O)C2)C1=O 781104308 QXDXHGVRAOTSCK-AWEZNQCLSA-N 423.926 0.839 30 20 HCED C[C@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)N1C(=O)NC2(CCCC2)C1=O 781597853 NGDSJKASRLKMLP-SNVBAGLBSA-N 408.411 0.755 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 783481584 QBKFWFMQPHHMJD-MRXNPFEDSA-N 405.476 0.869 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1nc[nH]n1 785056856 AEZDBDBOEUJNKL-LMKLXAMOSA-N 419.467 0.433 30 20 HCED C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)C1=O 798464065 GRGUVQIIVHSGPW-CQSZACIVSA-N 424.435 0.959 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(=O)N(CCOC)C1 801589499 QCXMYCIJTRAVGD-OAHLLOKOSA-N 422.507 0.559 30 20 HCED N#Cc1ccc(N2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)cn1 802627225 VNROAEILXIPAPP-UHFFFAOYSA-N 401.448 0.328 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)cc1 803562246 RVQYZBVEAJHXCM-UHFFFAOYSA-N 415.435 0.490 30 20 HCED C#CCNc1nc(N[C@H](C)CN2CCCC2=O)nc(N[C@H](C)CN2CCCC2=O)n1 804362038 PKWAEOWKLWDLCO-HUUCEWRRSA-N 414.514 0.762 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)CCO1 805062915 URZYFHCXGLNELO-ZBFHGGJFSA-N 423.514 0.231 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(Cn2cncn2)cc1 811990433 XDHUPABNERKLHZ-UHFFFAOYSA-N 410.459 0.681 30 20 HCED 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COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835341736 BYUJKMJYBIBTJV-LJQANCHMSA-N 404.423 0.195 30 20 HCED C[C@H]1CCc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)n[nH]c21 1835342484 ZZTOYTKFTQNBJE-QKKBWIMNSA-N 413.478 0.833 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3COc4ccccc4O3)C2)C1 1835355060 RCXRPVWGJDSQPW-GHTZIAJQSA-N 415.446 0.587 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CCN4CCOCC4)CCO3)C2)C1 1835439442 HUCKVAXGXJSQDX-NRFANRHFSA-N 407.511 0.131 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1835530575 KBJADTIFQOVBFF-JLTOFOAXSA-N 420.897 0.876 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnn4cccnc34)CC2)CC1 1835536564 RCTRWZRIBIZIEQ-UHFFFAOYSA-N 424.461 0.003 30 20 HCED CC(C)N(C)CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835679816 ASOVXZYXOCYBKI-NRFANRHFSA-N 423.558 0.065 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c1 1836304775 KWHTZBWVASPNGU-NRFANRHFSA-N 424.461 0.677 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CN4CCOC4=O)CC3)CC2)CC1 1836786444 KZIAACAXXZOMCB-UHFFFAOYSA-N 404.467 0.741 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1 1837301002 IMJGZTJGXSRDMA-KKSFZXQISA-N 418.494 0.964 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cnnn3)C2)C1 1837668300 FOJPEUHRPDXGDV-OXQOHEQNSA-N 420.514 0.683 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838529017 GUMNTHBDQRRAGH-HRAATJIYSA-N 419.478 0.046 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(N(C)C)ccc1[N+](=O)[O-])CCO2 1838544794 SOWMSNFMNZUMMQ-HXUWFJFHSA-N 416.434 0.364 30 20 HCED Cn1nncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838950510 MCLLMSMBWYSXRF-FQEVSTJZSA-N 410.434 0.071 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1839174142 IROVFLKLIPNNCZ-IBGZPJMESA-N 407.423 0.254 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N(C)CC)C2)C1 1839890326 UTGVPBHLGRDDOU-QAPCUYQASA-N 403.470 0.994 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840170415 DOSHIOOFSIZJSJ-VGOFRKELSA-N 414.506 0.775 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C4=COCCC4)CCO3)C2)c1 1840216295 JZYWHXDPZUNLSU-HXUWFJFHSA-N 400.435 0.651 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CSc1nc[nH]n1)CCO2 1840381873 XDUIEPNROQFJMP-SFHVURJKSA-N 407.496 0.157 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cc(C)cn1)CCO2 1840403250 ZHTMIRZEJPGMAH-OPYAIIAOSA-N 420.510 0.800 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](N)c4ccccn4)C3)C2)CCC1 1840813007 YDFIEWQNDZMMMT-UTKZUKDTSA-N 413.478 0.232 30 20 HCED CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC3(CCCN3C(=O)C#CC3CC3)C2)C1 1841542826 FBOHYKUYAXGYEG-JOCHJYFZSA-N 417.506 0.975 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)COCCOC)C1 1842777571 FFTYIRRBQKJIRL-MRXNPFEDSA-N 423.510 0.769 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1847801766 UYQLUYDSEAJPBC-VGWMRTNUSA-N 409.483 0.112 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCN2CCCS2(=O)=O)CC1 145496911 LQAPNPSWFYPMDU-UHFFFAOYSA-N 408.484 0.291 30 20 HCED C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(OCC(=O)NC2CC2)cc1 409579596 WXSYWHUWGMHUIW-DYVFJYSZSA-N 408.480 0.464 30 20 HCED CCOc1ccc(C[C@@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C(=O)OC)cc1 409584427 KOUCDVIHUIOXGN-RDJZCZTQSA-N 411.480 0.476 30 20 HCED C=CC[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429801519 MEZKHTINLGTYLG-TZMCWYRMSA-N 411.480 0.451 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)nn1CCC#N 439087480 QUVVXNUAEMEESF-GOSISDBHSA-N 422.489 1.394 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 441776392 LCBDPPXHZLMXHE-CQSZACIVSA-N 403.468 0.980 30 20 HCED COC(=O)Cn1cc(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)nn1 441776921 KSAHVQWYLSYLHY-UHFFFAOYSA-N 410.312 0.596 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)n2)c(Cl)c1 443257772 QLAYZGTYPBUXRM-CAAARAIESA-N 411.849 1.564 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)ccc1OC(F)(F)F 443297809 SUBCRGJCAASJKP-NSHDSACASA-N 421.353 0.325 30 20 HCED COC(=O)C[C@]1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1 464606952 JMFOOCAPILMUIT-WIYYLYMNSA-N 418.469 0.846 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1nnc(-c3cccc(C#N)c3)o1)C2 467286833 AMCQHALUNUTXBW-UHFFFAOYSA-N 408.422 0.070 30 20 HCED Cc1nsc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 469635534 XGLKPBDPKVXPLN-UHFFFAOYSA-N 420.520 0.919 30 20 HCED COc1ccc(NC(=O)c2cnn(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 474205508 XXPORRLKVBQFNS-UHFFFAOYSA-N 405.436 0.574 30 20 HCED N#CC1(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)CCCCC1 476416158 FPPUMKPZRNRKTI-KRWDZBQOSA-N 420.535 0.983 30 20 HCED COCCn1nc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccc1=O 481807221 QTYJQRFQCSGQDZ-UHFFFAOYSA-N 424.417 0.972 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1 485096926 XOTBNFPTRAAWRR-XOBRGWDASA-N 403.435 0.928 30 20 HCED CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)O1 486484866 IANGFIDUZQLFKN-SQNIBIBYSA-N 413.478 0.594 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2sccc2C#N)C1 487978836 YVJVVTVWUKPEPX-CQSZACIVSA-N 400.526 0.931 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1C 502438269 JBBGFVNCODTTTJ-UHFFFAOYSA-N 423.520 0.778 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O)cc1 503499325 DOWBONOJHXZXQU-CQSZACIVSA-N 407.492 0.989 30 20 HCED COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 508088376 ZVFAYRRJFBYUGX-SJORKVTESA-N 410.452 0.347 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508803458 XRRKPSTZHAMUDU-CQSZACIVSA-N 414.470 0.920 30 20 HCED C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508989041 YKHJOQXMMZGAJM-LLVKDONJSA-N 420.271 0.369 30 20 HCED CC(C)[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)C(=O)N(C)Cc1nnc2n1CCC2 509236100 GDEITMCHNYABEY-CZUORRHYSA-N 411.532 0.276 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCc1ccccn1 519576067 JAPRSPYKYCFRRS-UHFFFAOYSA-N 405.483 0.500 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)C1=O 522995087 NMGOTCIQFZCCIR-MRXNPFEDSA-N 418.425 0.292 30 20 HCED CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 525847626 UEOSQIUZYVVSPL-UHFFFAOYSA-N 411.466 0.951 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CCc1ccccn1 530654371 FPCFLQNLIPAFNN-UHFFFAOYSA-N 421.507 0.730 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOC[C@H]2C#N)c(OC)c1 536383301 QMTNBTQAOYCXKM-CYBMUJFWSA-N 403.482 0.760 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 550370288 YFYAGKOZJUHUAK-UHFFFAOYSA-N 414.397 0.505 30 20 HCED C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C1 550380756 VCJLLILCIZMJSW-RDJZCZTQSA-N 412.494 0.731 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2COCC)CC1 550979133 ZZFCXONEXHRSJS-UHFFFAOYSA-N 402.495 0.286 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C(N)=O)[C@@H](C)c1ccccc1 552733247 JXLHAAWFDNKONS-SUNYJGFJSA-N 414.487 0.999 30 20 HCED CN1CCN(c2cc(CNC(=O)C(=O)N3CCc4ccc(C#N)cc43)ccn2)CC1 559503157 GNIJHDVQZANNTJ-UHFFFAOYSA-N 404.474 0.911 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)c1C#N 562238941 AOBSAXGLKFOCFS-HNNXBMFYSA-N 419.555 0.742 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 565111144 WFPBTJDDUQRJLL-UHFFFAOYSA-N 423.539 0.074 30 20 HCED N#Cc1ccc(-c2nnc(N3CCN4C(=O)C(=O)NC[C@H]4C3)n2C[C@@H]2CCOC2)cc1 569817180 PLOGWMZJXCMIMO-RDJZCZTQSA-N 421.461 0.000 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccncc1OCC(F)F 572079913 DDLNQWQZRQIGOJ-UHFFFAOYSA-N 421.408 0.610 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 574792128 UKJLXZFVCLYFLX-QUCCMNQESA-N 414.506 0.327 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](OCCCC)C2(C)C)CC1 576383091 JITLYXJUJNSNHI-IAGOWNOFSA-N 408.543 0.533 30 20 HCED COc1ccc(OCCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 585693310 AKQGFTSIVCFYQL-UHFFFAOYSA-N 409.446 0.806 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)S(C)(=O)=O 588631299 VATRABAOXJOKMU-GFCCVEGCSA-N 412.899 0.410 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@]3(C#N)CCSC3)CC2)cc1 603886968 VPJBXDOAPYNYHX-GOSISDBHSA-N 408.549 0.817 30 20 HCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c1=O 604269065 CGVJOBXWISFOMA-UHFFFAOYSA-N 412.515 0.334 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 609170865 XEDYJLYAIHXQFX-SFHVURJKSA-N 409.494 0.999 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 610217848 JYKBMZPPTILJOT-LBPRGKRZSA-N 414.393 0.639 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NC(=O)NC2CCN(CC#N)CC2)C1=O 610460689 OGXQGGATNYDMBU-AWEZNQCLSA-N 405.480 0.927 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 669806034 POCDCZDIZONLMV-CQSZACIVSA-N 411.532 0.412 30 20 HCED N#Cc1cccnc1NCCOC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 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411.524 0.589 30 20 HCED C#CCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 781970837 SCCIRRHPXFLFCA-RDJZCZTQSA-N 411.911 0.241 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)NCCC)Oc2ccccc21 783347688 LZNOCDPLJHWNRE-INIZCTEOSA-N 423.491 0.024 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 783547469 KAIOJIYSILVDHN-SFHVURJKSA-N 409.464 0.179 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 783618660 SIBNBLGPEZKSMK-UHFFFAOYSA-N 414.549 0.951 30 20 HCED C#C[C@H](NC(=O)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CCCO1 786084431 XIQCYZKQHFJOEG-RBUKOAKNSA-N 412.490 0.503 30 20 HCED C[C@H](OC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1cccc(C#N)c1 786359651 ZFNWKXCCCPTJMM-WNPFRXICSA-N 411.414 0.981 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2nc(C)cs2)CC1)c1cc[nH]n1 789957232 NWWOBSASPUFMQM-UHFFFAOYSA-N 406.468 0.807 30 20 HCED C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 792746332 LKJIWOMYIXYVTC-UMSFUGNGSA-N 422.532 0.682 30 20 HCED C=CCN1CC[C@@H](OC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1=O 798602103 BDUWLEQULBIXLI-GOSISDBHSA-N 421.519 0.777 30 20 HCED CC(=O)N1CCN(S(=O)(=O)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 816094240 NOCBRFCDZJLYAD-UHFFFAOYSA-N 405.358 0.111 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCS(=O)(=O)CC2)C1=O 916111156 CBTADMRMOKYAFO-QGZVFWFLSA-N 402.517 0.419 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)Cn1cnc2ccc(Br)cc2c1=O 916891283 SEFQDCBIYJDLME-LBPRGKRZSA-N 407.224 0.630 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 1157760378 KRGPZKNHBLUPRJ-UHFFFAOYSA-N 413.427 0.330 30 20 HCED C[C@H]1CCCN(C(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1263974923 JTWWGUXGCGHOLP-GJZGRUSLSA-N 406.508 0.990 30 20 HCED CN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1298005144 MGSSTEIPUXLKSD-MRXNPFEDSA-N 410.482 0.463 30 20 HCED C=C[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1320426265 JNAHTKINRVIMOU-CYBMUJFWSA-N 424.479 0.234 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(C)[C@@H](C)CC#N 1321728052 XJGRIMSQQIQZRY-KBPBESRZSA-N 418.516 0.950 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1322223412 WGAUGKWDOQPSSI-VXPUYCOJSA-N 412.446 0.692 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 1323974854 SYNDKSNXYTXFDL-LSDHHAIUSA-N 410.496 0.581 30 20 HCED COCCn1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1=O 1340590422 PYIAYWZVTTVOJU-ZDUSSCGKSA-N 404.448 0.672 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1360287356 JPEQZEUNNSFWJI-INIZCTEOSA-N 408.466 0.555 30 20 HCED CN1CCN(S(=O)(=O)c2cccc(NC(=O)N3CC[C@@](O)(CC#N)C3)c2)CC1 1476029880 PBSNOCZDMILYPH-SFHVURJKSA-N 407.496 0.505 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCS2(=O)=O)cn1 1554333648 QQKVNMFCTPYXOU-CABCVRRESA-N 405.484 0.375 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1593885958 OVIFNQMPGHZVNR-UONOGXRCSA-N 419.935 0.979 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc(O)nn1)C2 1779334081 OOGUXAWBVKPARS-GCKMJXCFSA-N 418.494 0.883 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(OC)c3)C2)C1 1779555927 KNZLKBDAETXOAC-OLEQZPESSA-N 414.462 0.392 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c(F)ccc(O)c2F)C1 1781092433 NIEROYVZWNHJFT-JLTOFOAXSA-N 422.384 0.886 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781350882 FIZNDQGHYMZWFN-YWZLYKJASA-N 424.498 0.396 30 20 HCED Cc1cc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)nn1C(F)F 1782013514 QLNMTEXKAJLJKK-AUUYWEPGSA-N 424.404 0.802 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1)CCO2 1783052513 AGRUJYQUBXVYCQ-WOJBJXKFSA-N 407.467 0.133 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn3c(O)nnc13)C2 1783165787 NLSHXTDMEWSOBF-IIBYNOLFSA-N 411.462 0.976 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)CCO2 1783917149 ICJURBRMCYTEJB-MGPUTAFESA-N 411.499 0.668 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)CSCC(=O)O)C3)C2)cc1 1783958082 AHPBMXQZCOWHEN-IBGZPJMESA-N 403.460 0.820 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)C#CC4CC4)[C@H]3C2)C1 1784382435 ZWDYFSCWYOEZLH-GFEQUFNTSA-N 402.491 0.969 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3cnccn3)C[C@@H]21 1784484601 DWAXNQSQWCRWEA-ZBRFXRBCSA-N 415.494 0.295 30 20 HCED CN1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21 1784825891 BWEPWDQKZAHNBU-MUGJNUQGSA-N 417.550 0.759 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785494807 VEKBDYJNLSTTLI-BZSNNMDCSA-N 417.462 0.423 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(F)F)CCO2)C1 1785574521 LYXKPZUOLIRSCS-DJJJIMSYSA-N 415.437 0.998 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4n(n3)CCCO4)[C@H]2C1 1788350223 NXZGKXIWJWWJTF-OVWQWFNUSA-N 416.478 0.297 30 20 HCED 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405.451 0.775 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)[C@@H](C)S)C4)C3)(C1)C2 1840007083 MAYQAKAOCOVHTQ-GPIZFROPSA-N 412.508 0.104 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn(C)nc3OC)C2)C1 1840292950 WINHKFCWTKAVDC-NRFANRHFSA-N 418.494 0.692 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1840422830 LOIAPVNHJKLXHI-VGOFRKELSA-N 413.474 0.719 30 20 HCED COc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840814726 FOUFFVNXWRZOAZ-FQEVSTJZSA-N 417.466 0.193 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](CCC)NC(C)=O)CCO2 1840855870 WKVQTNWXFTVVEN-MDKPJZGXSA-N 409.527 0.960 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@H]3CCC(=O)N3C1)C2 1842920633 IXHYREPXUVXLBN-IRXDYDNUSA-N 415.538 0.873 30 20 HCED CN1CCN(CC(=O)N2CC3(CCCN3C(=O)/C=C/C(=O)c3cccs3)C2)CC1 1843418174 FNMSCOXGQMGGQC-AATRIKPKSA-N 416.547 0.938 30 20 HCED O=C(/C=C/C(=O)N1CCCC12CN(C(=O)[C@H](O)N1CCOCC1)C2)c1cccs1 1843418653 SRRLXOOMXCSYJE-WRFKIARRSA-N 419.503 0.341 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CNC(=O)c2cc(C)on2)C1 1844309307 TYVVQGIOYFRVDS-HNNXBMFYSA-N 404.467 0.489 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(F)c(C#N)c2)C1 1845203280 RJNOMXNZOWJLSW-SFHVURJKSA-N 416.453 0.594 30 20 HCED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)COc3ccc(O)nn3)C2)cc1 1845771180 ZNGBFZYYNYJVTN-UHFFFAOYSA-N 407.430 0.879 30 20 HCED C=CCc1ccc(OCC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(OC)c1 52994405 CVOBDSAFBNZHLY-OAHLLOKOSA-N 410.492 0.564 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 409523034 RLRNNSRUEOKHKV-CQSZACIVSA-N 416.525 0.338 30 20 HCED CC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 409571518 WVSPUQPRMVLDEA-GDBMZVCRSA-N 410.496 0.663 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 409572902 DNCMAUXSMJGCAP-GFCCVEGCSA-N 412.476 0.638 30 20 HCED N#Cc1cccc(NCC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 426760209 QKWYWTLMBJKDFQ-UHFFFAOYSA-N 407.496 0.128 30 20 HCED COc1nc(N2CCN(S(=O)(=O)N(C)CCC#N)CC2)ncc1Br 431929684 ZHCCQHCIURSUJX-UHFFFAOYSA-N 419.305 0.460 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(=O)N(CC3CC3)C2)cc1 435278526 GSSUFIDBNGJMIG-UHFFFAOYSA-N 420.491 0.470 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 435642872 ACFXUWHBHMXKGS-CYBMUJFWSA-N 401.350 0.921 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@@H](c2n[nH]cc2C(=O)NCCOC)C1 439321001 JRAUNBUQQXNSJF-JKSUJKDBSA-N 404.515 0.973 30 20 HCED C[C@@H]1CCNC(=O)[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 441373044 RLYWCRZQRUGADP-DYVFJYSZSA-N 412.450 0.569 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 443089263 CYEXWCAGGFKFIR-UHFFFAOYSA-N 421.435 0.999 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCc2cccc(C(=O)NCc3ccco3)c2)n1 444509627 ZMMNFJSEZZUWNK-UHFFFAOYSA-N 420.429 1.575 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](CN2CCCC2)C1 460601903 OJMCFTNVSPYINJ-KRWDZBQOSA-N 407.478 1.330 30 20 HCED C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465117998 CWPPUHKQXXIFON-OLZOCXBDSA-N 420.520 0.814 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1F 465418307 SWPFOJITYNLZGB-NSHDSACASA-N 411.397 0.262 30 20 HCED N#CCNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 467286660 XZZJVNUNPDRUHX-UHFFFAOYSA-N 406.233 0.862 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)CCO1 467638370 XDQHIMPGISZHPF-GFCCVEGCSA-N 401.814 0.883 30 20 HCED C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1 476047045 UFXFYTQDNRBENJ-ZDUSSCGKSA-N 409.512 0.632 30 20 HCED COc1ccc(NC(=O)c2cnn(C)c2C#N)cc1S(=O)(=O)N[C@@H]1CCOC1 477152263 QBQQEUDZKXKATB-GFCCVEGCSA-N 405.436 0.620 30 20 HCED COCn1nc(C)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 477451376 ATENSQBADLRKEP-LBPRGKRZSA-N 405.484 0.665 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1F 480917950 QNBQECYURDXPGF-UHFFFAOYSA-N 423.404 0.524 30 20 HCED C=CCOC[C@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OC 481788068 XHJFFSGDMVEDFO-KRWDZBQOSA-N 410.492 0.391 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 482143369 ZQSXEKHEYPQHJQ-MFKMUULPSA-N 418.397 0.504 30 20 HCED N#Cc1c(CCCNC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 488697589 PGXZCKLVDVWLMY-HOTGVXAUSA-N 400.414 0.547 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C[C@@H]4CCOC4)CC3)CC2)o1 494718438 OKRLWFNDAPYSCW-KRWDZBQOSA-N 402.499 0.157 30 20 HCED CCOC(=O)c1cnn(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)c1C#N 499486644 IYVWXRCIFWOCAH-UHFFFAOYSA-N 401.408 0.359 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c1C#N 499488401 AGVIGQSYYMMRLH-UHFFFAOYSA-N 424.895 0.874 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCO1 499733662 LLOWHMQVMGIXGS-GFCCVEGCSA-N 422.916 0.067 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H](C)C1 502025465 DHLCQLOQPODBJX-WFXMLNOXSA-N 417.529 0.921 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN(c3ccccc3C#N)CC2)c(=O)n(C)c1=O 507282390 HVVMLNOJKNYFMB-UHFFFAOYSA-N 424.505 0.662 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1C#N 511715725 YFBKFCSEYSQKNN-OAHLLOKOSA-N 408.480 0.824 30 20 HCED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C(N)=O)C1 514846687 GUYFVUAOHRBSPS-HNNXBMFYSA-N 409.450 0.459 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 518517356 SHTCWTSLWKPGIS-CYBMUJFWSA-N 424.479 0.415 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O 518670567 CTDVVIDOGSLBNY-LBPRGKRZSA-N 403.464 0.935 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 522537894 RWJBJHPEOYPKQZ-UHFFFAOYSA-N 420.450 0.373 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CC(=O)NC(=O)C23CCCCC3)cn1 526104611 ZLQWQKKKHWYPJS-UHFFFAOYSA-N 421.417 0.265 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(O)(C(F)(F)F)CC3)CC2)o1 534131461 PBWQKGQJYQVBHK-UHFFFAOYSA-N 401.389 0.893 30 20 HCED C[C@@H](C#N)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 537011331 NLCVDZMPFZBONS-AWEZNQCLSA-N 407.496 0.227 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3S(=O)(=O)N(C)C)no2)C1=O 545626674 GMKDNTLBKLASQU-UHFFFAOYSA-N 419.419 0.464 30 20 HCED CCOC(=O)c1cnn(CC(=O)c2ccc(CCNS(C)(=O)=O)cc2)c1C#N 546043546 QIQAVYGTIZBGTP-UHFFFAOYSA-N 404.448 0.906 30 20 HCED COC(=O)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 558580407 IDRVULVVVUJGTA-CQSZACIVSA-N 421.397 0.729 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3nnc4n3CCCCC4)CC2)nc1 559510453 LDMRYJNNDQZZEO-UHFFFAOYSA-N 422.493 0.279 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CCN1Cc1ccccc1 560732173 GMGJMOGZBNCEHO-IAGOWNOFSA-N 423.439 0.976 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](CO)O1 561786349 XCHCRKZODUYOME-FVQBIDKESA-N 404.442 0.391 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ccncc4)n3)CC2)c1C#N 562159718 YQJBPJYUXCGIOY-UHFFFAOYSA-N 422.474 1.191 30 20 HCED CC[C@H](NC(=O)N1CCN(c2snc(C)c2C#N)CC1)C(=O)N1CCOCC1 574093792 QWMYORASZVVKDI-HNNXBMFYSA-N 406.512 0.792 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 575355379 YVYFHYWYBZCRBM-ZWKOTPCHSA-N 409.494 0.816 30 20 HCED COc1c(Br)cc(Cl)cc1NC(=O)C(=O)NCC(=O)NCC#N 576898308 FHYKYEDNFJTFKX-UHFFFAOYSA-N 403.620 0.806 30 20 HCED COC(=O)C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C(=O)OC 588110492 WBHMWAHUEBMLPB-JTQLQIEISA-N 405.226 0.704 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 588695037 KXUPHQCSKGMPFA-AWEZNQCLSA-N 408.480 0.635 30 20 HCED COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 589334970 GMMDXZHGTMYUKH-ZBFHGGJFSA-N 422.507 0.226 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 589410504 OSYSGRORQWMNPQ-IAGOWNOFSA-N 409.450 0.135 30 20 HCED N#Cc1ccc(CNC(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 603614442 OBFISZMWVLHSBJ-UHFFFAOYSA-N 400.460 0.821 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603826003 RCQRBHYKJDTUHZ-UHFFFAOYSA-N 416.459 0.494 30 20 HCED CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@H](C#N)C2)cc1 611643898 VPERUMUVODCFFL-NUJGCVRESA-N 421.519 0.859 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 615253911 KQRPWLWYZXCYKH-UHFFFAOYSA-N 415.494 0.678 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CC[C@](F)(C#N)C1 615638966 KGUDEFYDSDHRKO-KSSFIOAISA-N 410.471 0.972 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2OC)c(=O)n1C1CC1 619525824 NQHGRGZFWPNDMW-UHFFFAOYSA-N 421.482 0.688 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(CC(=O)N(C)C)c2=O)nc1 679753687 ZQCOCMYSHGXMSC-UHFFFAOYSA-N 424.526 0.964 30 20 HCED O=C(NCC#CCNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1COc2ccccc2O1 681339260 MKXUDJBNPITKIC-PMACEKPBSA-N 408.410 0.902 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O 726042284 GXKLKIGESSWNST-GFCCVEGCSA-N 403.391 0.925 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(NC(=O)Oc3ccccc3)CC2)C1=O 727335436 TUTNQZMEPKHJTA-UHFFFAOYSA-N 414.418 0.743 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)CC1 729230764 NEHKLOHKVCEWQE-KRWDZBQOSA-N 406.508 0.956 30 20 HCED N#Cc1cnn(CCOC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c1N 731771412 GBQNIHQDMLWUGR-UHFFFAOYSA-N 410.481 0.260 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCN(c3cnn(C)c3)C2=O)c1 732318377 VSFBNQJBSNQTOU-INIZCTEOSA-N 404.448 0.847 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 743993684 TVNJKQAPRXNSRM-BLLLJJGKSA-N 413.409 0.820 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 746598083 YDUNPLYZIJMJQT-UHFFFAOYSA-N 424.423 0.848 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(CCc3ccc(OC)cc3)C2=O)CC1 749875018 SROQUSNFCZQERU-JOCHJYFZSA-N 412.490 0.716 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](Cc1ccccc1)C(N)=O 754847381 WKVZBNBRVZUWAM-SUMWQHHRSA-N 401.444 0.865 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cccc(C(N)=O)c2)C1 755537799 NGMQEHVUXKNDMJ-JSGCOSHPSA-N 401.423 0.599 30 20 HCED CC(C)[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1CCCS1(=O)=O 756886056 QZLQQBZHUIRCMK-SOUVJXGZSA-N 414.528 0.922 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 761024793 PNOAKEVVORJUQH-CYBMUJFWSA-N 416.450 0.700 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1 761031269 PGVBMTKSKDDHCQ-UHFFFAOYSA-N 420.535 0.271 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 762242172 PFWAPYVRDBLIPM-UHFFFAOYSA-N 421.523 0.035 30 20 HCED C[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCS(=O)(=O)C1 764471784 NGQWTIOEIOVPAU-RDBSUJKOSA-N 400.501 0.822 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 767878814 BASGRCLEBCNBTR-UHFFFAOYSA-N 423.416 0.755 30 20 HCED COc1cccc([C@H](C#N)NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1OC 768153550 ZAXSRJCQIKYJQL-AWEZNQCLSA-N 402.432 0.882 30 20 HCED C#CCN1CCN(C(=O)CN(C)[C@@H](C(N)=O)c2cccc(Br)c2)CC1 772397727 DZZUWZRKLQMWER-QGZVFWFLSA-N 407.312 0.685 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCO1 773785591 DXVWXBXQCZTXRP-DLBZAZTESA-N 405.476 0.707 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)OCC 783346485 BMXVNQJSFUWXIW-UHFFFAOYSA-N 404.391 0.797 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)[C@@H]1CCCO1 785641978 UQZKRMQDFPQYPR-MSOLQXFVSA-N 421.519 0.428 30 20 HCED C[C@H](OC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)NC1(C#N)CCCCC1 785661354 YYJIPZWMGGCLCZ-IRXDYDNUSA-N 420.510 0.441 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)O[C@H](CO)C1 787472413 PBRQXTDCVJQEGB-DZKIICNBSA-N 409.508 0.748 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)n1 789787453 KGXZANXXSWJMNR-UHFFFAOYSA-N 401.398 0.368 30 20 HCED C#CCn1ccc(CN(CC)C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)n1 790109938 JJTMCLHLZPQOAY-CQSZACIVSA-N 406.512 0.582 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 798332219 RJPIJQBFWJJFPK-LLVKDONJSA-N 420.882 1.000 30 20 HCED C=CCN1CC[C@H](N(C)C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1=O 799176479 VDODIXPUBTYSLK-FPOVZHCZSA-N 402.539 0.897 30 20 HCED CC(C)(C)OC(=O)N1CC[C@]2(CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 800109199 KZOXOGVAOSDAMY-PBHICJAKSA-N 400.501 0.788 30 20 HCED C[C@@H](OC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)NC1(C#N)CCCCC1 803862601 NLILBUQQBXHTDU-LLVKDONJSA-N 410.452 0.130 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)c4cnccc4C#N)CC3)ncnc21 805716983 CHEYJDFQZTWNSG-UHFFFAOYSA-N 406.406 0.136 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)n1 806692494 ZVHKMFGHNRIHNO-KRWDZBQOSA-N 404.467 0.293 30 20 HCED C#CCN1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 809398169 SCRADONYLJFURC-IBGZPJMESA-N 421.519 0.605 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1 810046764 WFGWKFODOJZNKG-UHFFFAOYSA-N 414.531 0.962 30 20 HCED C#CCCS(=O)(=O)NC(=O)CN1C(=O)COc2cc(Br)ccc21 810780348 ZGTUNAZYQYRYSW-UHFFFAOYSA-N 401.238 0.644 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cc2)CC1 815800833 GEJPHCKYVDLLQJ-UHFFFAOYSA-N 415.494 0.928 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)c1 913340746 MQQWKYFZPYAIKV-GOSISDBHSA-N 409.464 0.577 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)c1 918287859 YZLFGGVHHHLANT-HUSAPJIJSA-N 408.480 0.421 30 20 HCED C[C@H](OC(=O)c1cn(CC(=O)N(C)C)nn1)C(=O)N(CCC#N)c1ccc(F)cc1 920640888 CYTVZSNNWYEBIT-ZDUSSCGKSA-N 416.413 0.998 30 20 HCED CCCC[C@H]1NC(=O)N(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1=O 920758003 BOMCMKFWVFBFMQ-QGZVFWFLSA-N 419.507 0.933 30 20 HCED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1C1CCOCC1 1110801218 WMMOPNCPIFWISH-ILOCAZANSA-N 404.511 0.782 30 20 HCED Cc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2)cc1S(=O)(=O)NCC#N 1116083498 JRYYFKKOTJDHEL-HNNXBMFYSA-N 402.480 0.539 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1195978027 KXMBRKFQGFASAS-HNNXBMFYSA-N 415.560 0.950 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)NCC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 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ATDQUDNNZPGOAC-VUKGPQMXSA-N 424.494 0.135 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)C(F)F)CCO2 1834914735 GGPLKSFYYORTJG-IBGZPJMESA-N 400.422 0.407 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1835096528 BVOHNZCWUJEBNO-QHCPKHFHSA-N 421.453 0.909 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccncc3F)CC2)CC1 1835253795 YFOHKZPFXXLJOQ-UHFFFAOYSA-N 402.426 0.494 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1cnn(C)c1)CCO2 1835991040 LAGFUUHEUIBQHW-OAQYLSRUSA-N 402.495 0.613 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3cccnc3)[nH]n1)CCO2 1838028318 SRPBHLYASJPSJP-FQEVSTJZSA-N 410.434 0.455 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ccc3O)CCO2)C1 1839446226 JQTYAGHZQSSCSB-QVKFZJNVSA-N 420.462 0.759 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839844798 VIPBSFHCGSMYKZ-WOIUINJBSA-N 422.570 0.291 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](O)Cc4ccccc4)CCO3)C2)CC1 1839957921 LVYDERXNVUCVCA-XMSQKQJNSA-N 413.474 0.350 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1840161039 CIBGHKMNEIPQSW-KNQUQLGCSA-N 415.512 0.290 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1840292197 CAPHPNRSUBJSOK-LJQANCHMSA-N 406.508 0.989 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1840894943 XHKXFQUHIBNORM-IIBYNOLFSA-N 400.431 0.335 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)N1CCN(C)CC1 1844259673 QVQJIGQOHGWMKA-LUJYGJGBSA-N 404.559 0.297 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)C/N=C/c1ccco1)C2)N1CCN(C)CC1 1845098880 NHDONGJZZBTEQC-NEIHUHTASA-N 401.511 0.538 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(=O)n3[nH]cnc3n1)C2 1845252667 NGDFPUANDOWRGI-GFCCVEGCSA-N 401.427 0.036 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)[C@H]3CCNC(=O)C3)C4)c2c1 1845582649 CLMWNQILOLKUKH-AWEZNQCLSA-N 406.446 0.778 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NCCC#N)c2)C[C@H](C)O1 15182154 VUAVNMAGWPLCIT-KBPBESRZSA-N 409.464 0.671 30 20 HCED C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 24733192 SKIKJIDBIKMBHX-AWEZNQCLSA-N 406.508 0.942 30 20 HCED C=CCn1c(SCC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)nnc1C1CC1 29356154 HFMQCRFPSIMDHF-UHFFFAOYSA-N 406.468 0.395 30 20 HCED CCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Oc2ccccc2C#N)c(=O)[nH]c1=O 29764008 OBPMOKVLCDZYKR-CYBMUJFWSA-N 415.450 0.847 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 56868258 SVDPNVYCWFDHGP-INIZCTEOSA-N 413.521 0.403 30 20 HCED Cn1c(O)nc(=O)c2[nH]c(CCC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)nc21 303563598 LPNYKPBIBFDBJV-HNNXBMFYSA-N 421.461 0.531 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)n1 426423642 ZNEGYHHRENUZCV-UHFFFAOYSA-N 403.240 0.897 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)nn1CCC#N 438778577 XQSIZSXKULUALG-YESZJQIVSA-N 402.499 1.144 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)C1 439316195 CJLYYMCNVHOTAD-VBKZILBWSA-N 402.499 0.774 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CC2CC2)cc(S(C)(=O)=O)c1 439598694 ZIRQFHWNBFAPGD-UHFFFAOYSA-N 407.448 0.967 30 20 HCED CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 439980557 WDSHDVUVWGMTMI-MRXNPFEDSA-N 410.478 1.264 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)C 440401386 WCYGRJRCMLNQLF-ZDUSSCGKSA-N 414.487 0.685 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)cc1 441982602 WVZIRCLYKZDESK-FQEVSTJZSA-N 405.451 0.750 30 20 HCED Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)ccc1C#N 443913272 MHMKDAHMKIURPN-UHFFFAOYSA-N 423.520 0.732 30 20 HCED COc1ccc(F)cc1CN1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)CC1 444505715 LHZZJKYQCGMMQQ-UHFFFAOYSA-N 414.441 1.227 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)cn1 460599674 OMBLMRPMMDXWBA-UHFFFAOYSA-N 417.433 0.606 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 461743375 WBABIVSHHMBUPV-UHFFFAOYSA-N 404.448 0.714 30 20 HCED CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 471197357 WOSQQEDWLBMQDB-UHFFFAOYSA-N 424.523 0.772 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1 480954778 HTOIYXSRWURECF-SMDDNHRTSA-N 400.482 0.657 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNC(=O)c3cnccn3)C2=O)cc1 486471203 ZRXVFFALPFVNNO-INIZCTEOSA-N 407.434 0.178 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 488250450 PJJCBGOOKNTLJU-GOSISDBHSA-N 406.446 0.521 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 489110546 RJUMPFWFZHKCNL-SNVBAGLBSA-N 404.370 0.416 30 20 HCED CN1CCN(C(=O)[C@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 498502549 HSIULNDJQIZQPP-GOSISDBHSA-N 418.519 0.238 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c(F)c1 504266054 RKVHBQVGAVLRRD-NSHDSACASA-N 411.436 0.648 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCN(C)C(C)(C)C1 508284102 JCKDFBMIJSBLDM-HNNXBMFYSA-N 407.540 0.367 30 20 HCED C=CCn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508938695 LZCOSWDZSFZIKM-HIFRSBDPSA-N 403.443 0.772 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1 511657914 HIWOQFNIQYMBPX-YSVLISHTSA-N 423.491 0.700 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(CCO)CC2)CC1 513320307 BJGOFFIQJNJUDI-UHFFFAOYSA-N 414.466 0.065 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CSc1nnnn1CC(F)(F)F 519274816 RXOCTFFEXLGIDG-UHFFFAOYSA-N 407.422 0.402 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1=O 522725733 GFAIBCWJQLILRG-UHFFFAOYSA-N 408.436 0.289 30 20 HCED COc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OCCCC#N 523841182 RTJGIKSTCBBHDJ-ROUUACIJSA-N 423.535 0.965 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1=O 538513496 MDOVRYSJLANLKJ-GFCCVEGCSA-N 416.297 0.955 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cn1 541130360 DNMGDSQSVTYKND-UHFFFAOYSA-N 403.399 0.534 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCCC#N 541353256 HCFBKHZDZVESBX-UHFFFAOYSA-N 410.452 0.075 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCNC(=O)c3cccnc3)n2)c(F)c1 543011087 KZGPWUFSWQOSCI-UHFFFAOYSA-N 421.392 0.763 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 551370221 GMJPZHJPCCFCOU-HDMKZQKVSA-N 421.505 1.575 30 20 HCED CNC(=O)C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 554641514 JXMZFDVWYSXPIG-INIZCTEOSA-N 411.466 0.248 30 20 HCED C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 555253030 VSTBIEOCTIDEBY-INIZCTEOSA-N 422.530 0.751 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CC[C@H]2CCOC2)CC1 555288145 LGPQRHDIMGJMQK-OAHLLOKOSA-N 413.521 0.621 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 557016081 LWHQULPEQDRPNR-OAHLLOKOSA-N 403.570 0.875 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c1 564489010 KBVQWJMHECRTOA-UHFFFAOYSA-N 402.432 0.730 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(N3CCOCC3)n2)c1 564526326 YUCPBXQDEWNMEM-UHFFFAOYSA-N 415.475 0.385 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 568738334 CGLRBSFUISVCCW-CQSZACIVSA-N 402.432 0.589 30 20 HCED C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CCN1c1nccn2cnnc12 576785365 UEJJTPGTXRCWMM-AWEZNQCLSA-N 412.479 0.375 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 577667597 XSWHUHDHCATMRE-KRWDZBQOSA-N 416.526 0.823 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 582701652 YIBNVEQKRCQMIJ-MRXNPFEDSA-N 418.523 0.741 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1C 584751201 UQUHXAYRTFFXGZ-UHFFFAOYSA-N 403.464 0.979 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 592301947 FXTABNILZQBLID-GOSISDBHSA-N 409.575 0.895 30 20 HCED COCCn1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 604219120 SXOUUJGXBQRTOE-UHFFFAOYSA-N 413.438 0.554 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1CC(N)=O 608911813 QISYZVQRWVGBPY-UHFFFAOYSA-N 404.517 0.184 30 20 HCED N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 726793757 QOQWLTCUPFLSDO-UHFFFAOYSA-N 421.504 0.884 30 20 HCED C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 728795197 VRUANXGVOIDPJB-OAQYLSRUSA-N 405.414 0.741 30 20 HCED NC(=O)[C@H]1c2ccccc2CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 730792743 IVPKOIOXPOVTDI-GOSISDBHSA-N 412.471 0.727 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc1 730895415 KORPDTSBVOAERH-HUUCEWRRSA-N 407.448 0.305 30 20 HCED NC(=O)CNC(=S)NN=Cc1sc(N2CCOCC2)nc1-c1ccccc1 731929881 MAKHTBBDVRJQDQ-UHFFFAOYSA-N 404.521 0.930 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnn(CC)c2)c1=O 732561546 PDIKOTQAYZZTOV-UHFFFAOYSA-N 403.508 0.192 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CS(=O)(=O)c2ccccc21 736156277 KMPJHWNAWDQFAM-ZDUSSCGKSA-N 405.457 0.370 30 20 HCED CC[C@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)N1CCCC1=O 745692735 XWXVFBZQXHKWFT-OAHLLOKOSA-N 403.439 0.448 30 20 HCED C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749743498 MQDBJLSHYVRZMP-CJOMHGBRSA-N 410.496 0.571 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(C)C[C@@H](O)CN3CCOCC3)ccc2c1=O 751431289 NNFLQVXAJHYQPQ-OAHLLOKOSA-N 418.519 0.636 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 753466137 BLMMRLAITWZZCM-UHFFFAOYSA-N 402.494 0.275 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)COCC(=O)NCc2cccnc2)[C@H](C#N)C1 754384337 KSBNBIIPAYBQSC-MRXNPFEDSA-N 417.466 0.686 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)C1 755548402 QPHUIRQHMXDGKV-IINYFYTJSA-N 419.413 0.738 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 757896509 GNZCCQGNBDPDAT-ZIAGYGMSSA-N 416.500 0.704 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(Cl)cc2)c1=O 758040309 ILFWKNXXGMIXKB-UHFFFAOYSA-N 415.902 0.852 30 20 HCED CC[C@H](C#N)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 758952388 FMDKUESFYKYPCW-IEWAYXNBSA-N 413.521 0.798 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 760494967 OEEFWXXTRFYYEK-UHFFFAOYSA-N 402.882 0.974 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 764073610 HXOLGKKXNSKYQX-PXNSSMCTSA-N 418.563 0.696 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n(CCC#N)n1 773861568 CIKSCWQSLGDVAQ-CQSZACIVSA-N 420.470 0.796 30 20 HCED C#C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 775346418 JFFPSIYHCGUEKI-RBUKOAKNSA-N 405.520 0.598 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCN2CCNC(=O)C2)C1=O 781103955 GZSPVTOCYHXCFK-HNNXBMFYSA-N 403.508 0.494 30 20 HCED C#CCN(C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21)[C@H]1CCS(=O)(=O)C1 783481755 XRBGGBYJFZOQAC-CVEARBPZSA-N 401.488 0.651 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 783618107 MMWGWNPBHHFUKW-UHFFFAOYSA-N 406.439 0.876 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 785145753 VNEURLVZBCTLTR-QGZVFWFLSA-N 404.419 0.991 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)[nH]1 786093606 ZCTSZMKWPPXAPU-UHFFFAOYSA-N 413.409 0.965 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccc(C#N)nc2)CC1 801553928 ZZPNIIXVIWPJQI-UHFFFAOYSA-N 414.491 0.670 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 804891746 QGXXYYMDHBQJPD-KRWDZBQOSA-N 423.558 0.420 30 20 HCED C#CCCN1CCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 809392304 OGCIZPJCBKYHSA-UHFFFAOYSA-N 419.503 0.270 30 20 HCED CN(C)S(=O)(=O)c1ccsc1C(=O)NS(=O)(=O)c1cncc(C#N)c1 813985313 VVESIDFEMNEAAM-UHFFFAOYSA-N 400.463 0.384 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 815589802 DVFOQRFGQKTSFG-CQSZACIVSA-N 402.455 0.917 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 825132011 VWOVXTGQSWGBTO-HNNXBMFYSA-N 408.476 0.321 30 20 HCED CNS(=O)(=O)C1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 1261235568 ZILYPNUMEVPGHF-CQSZACIVSA-N 403.464 0.525 30 20 HCED COC(=O)[C@@H]1CN(C)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312471336 RTSZFDSTENSQNN-KFWWJZLASA-N 409.487 0.492 30 20 HCED Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1492200854 IITUJBHDZZQFNF-HXUWFJFHSA-N 413.457 0.898 30 20 HCED CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)CNc1ccc(C#N)cn1 1556788183 KYGHJKZTMJMBAW-UHFFFAOYSA-N 402.480 0.607 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCc2nc(N)sc2C1 1627317661 XPJIWYOZNAYMGG-PWSUYJOCSA-N 405.505 0.937 30 20 HCED COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1697939037 YWMHIGDOHSJIKA-ZIAGYGMSSA-N 412.516 0.434 30 20 HCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1706645114 XCLVUUAFKIZFKT-INIZCTEOSA-N 409.450 0.982 30 20 HCED CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1728117644 YICFSBKDQCNJKN-JKSUJKDBSA-N 423.543 0.198 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(O)CCO[C@H]1C 1741905632 UPXNJENNWZPCAX-DVZHBHJUSA-N 400.505 0.167 30 20 HCED CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1750256204 JDGMEXIHUGPKIG-RYUDHWBXSA-N 400.530 0.513 30 20 HCED 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C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nn[nH]c1C(F)(F)F)CCO2 1838768943 SLBJGDWBYHHWJM-MRXNPFEDSA-N 415.372 0.307 30 20 HCED Cc1cc(F)c(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1 1839459558 ZGCWWECXKISATG-FQEVSTJZSA-N 422.384 0.431 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc4ccc(Cl)cn4c3C)C2)C1 1839810355 SJJXXPGCWZRYLF-FQEVSTJZSA-N 416.865 0.999 30 20 HCED COC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)CC1 1839895417 AKBMZPTWJNXUAH-RDTXWAMCSA-N 414.524 0.350 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839961165 XBAAJQMFBDXLPW-RIFZZMRRSA-N 408.520 0.365 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4c(O)nnc34)C2)C1 1840173050 YTYMSURKTIACTD-IBGZPJMESA-N 401.423 0.081 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415559 HOEXLYKIAPSUGW-XLIONFOSSA-N 421.498 0.278 30 20 HCED CC(=O)N(C)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812135 AURBJQGQNZXGQV-FQEVSTJZSA-N 406.483 0.005 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC2(CCCN2C(=O)CN2CCS(=O)(=O)CC2)C1 1841894314 MZKVOYMVZYKHIM-KRWDZBQOSA-N 409.552 0.689 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2ccc(-n3cccn3)nc2)C1 1844521752 QLUYNCABCIXAPM-FPLPWBNLSA-N 420.473 0.943 30 20 HCED Cc1ccc(S(=O)(=O)CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc1 1846195157 IKRMJDHWGVSHMP-UHFFFAOYSA-N 404.444 0.060 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)Nc2ccc(C)cc2C)c1=O 6112962 BFYCZJKUMBKVED-UHFFFAOYSA-N 413.434 0.509 30 20 HCED Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1c(=O)c(C#N)cn(C)c1=O 11266321 AHGLIXZZOUIXPE-UHFFFAOYSA-N 406.446 0.597 30 20 HCED Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)NCCCc1n[nH]c(N)c1C#N 48706551 IXGMZRCJBJEOFH-UHFFFAOYSA-N 409.450 0.752 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 409584658 LWKMQYASGHHHJT-UHFFFAOYSA-N 410.496 0.942 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1 410139945 FMPYGMPKCIWZOW-UHFFFAOYSA-N 406.468 0.507 30 20 HCED Cn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1 428077610 XHVLMDYTHIXUJS-RMKBEBRYSA-N 409.449 0.694 30 20 HCED CCN(CCC#N)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 429262328 UCCDJVABRBYXTL-AWEZNQCLSA-N 414.509 0.919 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nccc(N)n3)CC2)cc1 433059880 VQUPILQUWWJFFP-UHFFFAOYSA-N 400.464 0.648 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)n1 438317361 ANRJLVASRINJLU-UHFFFAOYSA-N 403.468 0.798 30 20 HCED CN1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 441462259 AUVKBSZOHPFTBW-MSOLQXFVSA-N 407.478 1.079 30 20 HCED N#Cc1cc(N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2ccc([N+](=O)[O-])cc12 443485614 GFBFHLDLDIIRBM-DLBZAZTESA-N 417.447 0.295 30 20 HCED CNC(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1Cl 446527277 PURWMAFEYGFIDF-UHFFFAOYSA-N 421.885 0.713 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 462096112 BMQZQCKOVCEIEY-OAHLLOKOSA-N 411.466 1.549 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 465423653 NMEFIGOFUVBEEZ-KBPBESRZSA-N 408.480 0.730 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3CCN([C@H]4CCS(=O)(=O)C4)CC3)C2=O)cc1 485745764 QVTGTGICUSZIRN-RBUKOAKNSA-N 402.520 0.858 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 501649673 XWUGHZLLPMOLJW-MRXNPFEDSA-N 400.435 0.947 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccccn3)c2=O)CC1 513059115 RGDKMWIYAVAONC-UHFFFAOYSA-N 423.542 0.697 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)C1=O 519096374 ALVMPEIXVSIKAH-UHFFFAOYSA-N 412.446 0.646 30 20 HCED COC[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 525617450 MFEKCURBFDTXPH-QGZVFWFLSA-N 407.492 0.833 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C 533691220 XQRQHOIQWTUQIP-UHFFFAOYSA-N 409.870 0.895 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1CC(N)=O 535896467 QACVPPGDIDYZSS-SNVBAGLBSA-N 405.426 0.792 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 546709097 LKJDHHPYAIPCTH-UHFFFAOYSA-N 407.430 0.953 30 20 HCED COCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 553712265 WKGXETCZISHURD-AEFFLSMTSA-N 413.478 0.007 30 20 HCED COc1cc([C@H](C)NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)ccc1OCCO 557383712 LJLYZDKPMWZXDL-ZDUSSCGKSA-N 415.450 1.531 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCc2cccc(-n3cncn3)c2)n1 558520309 PLUXZONGNJWLHJ-UHFFFAOYSA-N 413.401 0.975 30 20 HCED CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 561549118 BLWFZMIKBLCLEE-LLVKDONJSA-N 417.469 0.016 30 20 HCED C[C@H](c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1)n1cnc(C#N)n1 561863891 UBTQURULBGDLNC-GFCCVEGCSA-N 415.435 0.830 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 564416689 CTFDVNVCGMVVBM-UHFFFAOYSA-N 414.915 0.623 30 20 HCED CC(C)C[C@@H](CCO)CNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 565621455 RCKXMWUFCDXKRS-RTBURBONSA-N 414.506 0.936 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(c4cccnn4)CC3)CC2)nc1 566875565 GNIYGVAIONTQGU-UHFFFAOYSA-N 420.477 0.177 30 20 HCED CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 567224832 BYROCRSSNSEHMZ-PBHICJAKSA-N 414.462 0.970 30 20 HCED CSC[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 567788066 SADLUAIIKMXZIZ-GOSISDBHSA-N 424.548 0.914 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)O)cc1Br 571479002 PDKKTJFCHNTYBJ-MQJDWESPSA-N 407.267 0.527 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 576318459 NBBSWICFALDMKJ-UHFFFAOYSA-N 424.523 0.921 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(C)c(OC)c3)c2=O)cn1 579551619 PTNZSSWXWRGEOK-UHFFFAOYSA-N 423.498 0.682 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)CC1 585683876 MWMICZCKXISZRG-MRXNPFEDSA-N 405.524 0.342 30 20 HCED CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 586870355 IIYIYXYUIIWVDA-AWEZNQCLSA-N 402.499 0.919 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 587648030 PIDCLLZMPGDEDQ-UHFFFAOYSA-N 420.477 0.177 30 20 HCED CN(C)CCOc1ccc(CCNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 588025425 PGIOFPUMCUXMLL-UHFFFAOYSA-N 401.511 0.390 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCc4ccnc(O)c4C3)C2=O)cc1 588864676 NRESBOFYNREZBD-SFHVURJKSA-N 419.441 0.855 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@@H](c4ccco4)C3)C2=O)cc1 588868409 LQXXJJNYZFNINT-IEBWSBKVSA-N 422.441 0.968 30 20 HCED CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 608990878 ACXBTHOPJPTQJC-UHFFFAOYSA-N 407.478 0.881 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038207 JFFUQLLPIWBDAY-UHFFFAOYSA-N 417.494 0.748 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 609668195 JJDKARNVQLXXBI-KRWDZBQOSA-N 401.511 0.731 30 20 HCED COCCCS(=O)(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 610897002 RWUCSWGMBBHVNB-QGZVFWFLSA-N 420.491 0.174 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 611492469 LYYRRBDTACZJNL-UHFFFAOYSA-N 420.422 0.243 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)CCO1 619710536 ACBFCHNUVTWYCX-SJORKVTESA-N 414.915 0.460 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCCOc2ccc(S(N)(=O)=O)cc2)cc1 727007375 DNSJQDZZKVAWKP-UHFFFAOYSA-N 403.416 0.558 30 20 HCED CN(C)c1ccc(NC(=S)NN=Cc2nc3c(c(O)nc(=O)n3C)n2C)cc1 729636124 BZDCNSOBBLZGEA-UHFFFAOYSA-N 400.468 0.759 30 20 HCED Cc1cccc(C)c1OC[C@H](O)CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465627 IVDAHQBXUJTJSW-QFPXGYFVSA-N 402.451 0.869 30 20 HCED Cc1ccccc1[C@H](CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1)NC(N)=O 732907620 BNDOSOLVPHMCFL-CABCVRRESA-N 406.464 0.060 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(C)CCOC2)cc1 733668166 TXSTTYASYJSCFB-NDWLXSOOSA-N 422.507 0.981 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 741431904 UZLBOSUMBMZVNJ-AWEZNQCLSA-N 410.448 0.483 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(N)=O)cc1 745979962 AFHZNEFLJKYVFG-UHFFFAOYSA-N 417.443 0.967 30 20 HCED COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 758646127 VMBZZBICICSEIP-FZMZJTMJSA-N 410.452 0.906 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 758757794 HIEJEQJTNNZOJI-MGPQQGTHSA-N 415.516 0.469 30 20 HCED CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 761100596 KQEJPKIKKDIPIL-UHFFFAOYSA-N 406.446 0.942 30 20 HCED NS(=O)(=O)c1ccc(CCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 767500298 PVDULGYFATXOLR-UHFFFAOYSA-N 423.472 0.158 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)Cc1cnn(-c2ccccc2)n1)c1cc[nH]n1 770833351 NADCPWIVUOWLKI-UHFFFAOYSA-N 411.422 0.933 30 20 HCED C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 773131305 KOLWCMGUMSYMAV-ROUUACIJSA-N 407.492 0.688 30 20 HCED C#C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CCCO1 775796296 VLSZCVDQAPSKLV-DLBZAZTESA-N 404.492 0.866 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 780057021 NRMSGMKTIPINFQ-CABCVRRESA-N 401.467 0.620 30 20 HCED C#CCN(C(=O)C(=O)NCC(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 782562667 RJLSBQNZYPXKIU-AWEZNQCLSA-N 422.279 0.939 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1)[C@H]1CCS(=O)(=O)C1 783480772 LXEPVNYRWYSVNF-HNNXBMFYSA-N 401.448 0.368 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 792453845 TVWBYSUKOZHUDX-INIZCTEOSA-N 400.479 0.939 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)nn(C)c2C)c1=O 794578790 OCPWVKDUAOPSML-HNNXBMFYSA-N 412.515 0.945 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)CC1OCCO1 796915169 FYLZQUBUVLDGFJ-UHFFFAOYSA-N 401.375 0.673 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)C1=O 801381999 QOJRGMTUFAZYPU-AWEZNQCLSA-N 400.391 0.281 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1C#N 807769437 UJGZRAPHRSQINB-HNNXBMFYSA-N 410.434 0.147 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1)[C@H]1CCCO1 809309301 FEYNSTNFSIRDNB-IAGOWNOFSA-N 407.492 0.029 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 810781712 AXVDFVMNNRGTEU-KXKDPZRNSA-N 403.460 0.259 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)n1 811251545 RGCBASRKHKLYSC-LSDHHAIUSA-N 407.448 0.305 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1C1CC1 812275878 DXDOWVXLUGLRSL-UHFFFAOYSA-N 407.446 0.945 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)Cc1cccnc1 816335074 XYZZIGZIWKRFJE-HNNXBMFYSA-N 402.476 0.478 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC(C)(C)CCO)cc1 821573785 DTTAMFXWMYLZTQ-QNGOZBTKSA-N 410.496 0.715 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 918346767 GLUWFNYIWCUHKD-UHFFFAOYSA-N 414.487 0.890 30 20 HCED C[C@H]1CN(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)CO1 1166151606 JUMCHAMEOBIQOY-KFWWJZLASA-N 408.524 0.729 30 20 HCED CC(C)(C#N)CS(=O)(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1189413854 YGDRMALIIAESHW-UHFFFAOYSA-N 406.452 0.317 30 20 HCED CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)c(Br)c1 1309671643 UGLMNQVLMGPHRD-UHFFFAOYSA-N 417.329 0.961 30 20 HCED CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1314075837 VZWJWDYLPKLMKZ-AUUYWEPGSA-N 416.486 0.822 30 20 HCED C[C@H](CC(=O)N1CCc2c(O)ncnc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1325236548 RWXXSTZNVMJVBE-LLVKDONJSA-N 401.448 0.584 30 20 HCED CC(C)C(=O)Nc1nc(CC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 1523842284 GPSMCJTUVLTKSS-LBPRGKRZSA-N 412.493 0.246 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1555984608 YJFCCOWCWKRYHU-LJQANCHMSA-N 419.461 0.238 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c(C#N)cn1CC 1562960782 YMMGPASDDGSSOF-LBPRGKRZSA-N 411.484 0.959 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCn2c(nnc2C(F)F)C1 1626533230 VJUPBFPWLHLIPZ-SNVBAGLBSA-N 410.406 0.797 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1S(C)(=O)=O 1638111822 YINCASKHCAVEEK-ZDUSSCGKSA-N 421.500 0.945 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC(O)(CC#N)C3)cc2)C[C@H](C)O1 1653387571 OGETWAPLELBJTR-GJZGRUSLSA-N 422.507 0.383 30 20 HCED N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC(=O)NCC(F)F)c1 1712878449 MCTKOTSMERMLPX-CQSZACIVSA-N 417.420 0.900 30 20 HCED CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(CC)S(C)(=O)=O 1729023084 NZROCEOVUWGFJN-MRXNPFEDSA-N 402.496 0.928 30 20 HCED C[C@@H](CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1751162273 RKFXBEBJBAKYGJ-IRXDYDNUSA-N 401.515 0.975 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CC1 1760688950 QHBOFKAXYOVJHH-GNDHETMUSA-N 402.546 0.395 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc3c2OCC3)C1 1778450551 XWPMVACHFFTABW-VGOFRKELSA-N 412.442 0.837 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)Cc1cncnc1)CCO2 1779099267 DIGQHDRKZKJRQQ-LGCLYSGLSA-N 417.466 0.378 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2 1779103223 PTIDDBLSEMWCFS-HOTAGGJMSA-N 407.427 0.088 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779251010 AVUONQKDADNTPR-GNCZZYFXSA-N 421.542 0.593 30 20 HCED 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415.454 0.369 30 20 HCED COc1cccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)c1 1782010618 PSOZXUNDYZVKMF-XMSQKQJNSA-N 414.458 0.840 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1783179496 RQVWENGHFWISPM-ZUOKHONESA-N 402.426 0.665 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)cn3C)C[C@@H]21 1783530838 MFGXHOSJBDZIBR-QCVNDIHVSA-N 418.469 0.616 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1COc3ccccc3O1)CCO2 1783557308 DZRRSPKSLMPZIG-BTYIYWSLSA-N 414.414 0.134 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cncc(O)c3)C2)C1 1783620014 GKLSEHZSYQWILE-FQEVSTJZSA-N 403.435 0.740 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NC(C)=O)[C@H]2C1)C(F)(F)F 1784530745 PUAWHFBQGSIOIS-IHRRRGAJSA-N 405.417 0.999 30 20 HCED C[C@H](CC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1784596580 JWQKYUZYPQOVGZ-SQSOITAFSA-N 424.498 0.007 30 20 HCED CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785349022 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C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1831420990 CDCZONASDMDHRX-QRWLVFNGSA-N 405.451 0.448 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)c(C)nn3C)C2)C1 1831421672 OSGSDSLVCDKIKD-QRWLVFNGSA-N 424.473 0.529 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1831434247 USRQWMGGWHQWPY-UTKZUKDTSA-N 423.510 0.046 30 20 HCED Cc1ccn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](S)C(C)C)CCO3)n1 1831484840 GUBQNSDWUSWAQD-IEBWSBKVSA-N 410.540 0.602 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1831488017 VAKHFZNXVHVSKY-AZUAARDMSA-N 423.535 0.259 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833821446 WRAXVCSEPSHKLT-LJQANCHMSA-N 422.507 0.602 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)n(C)n3)CC2)CC1 1833942734 RLDARDCMUHPBLI-OAHLLOKOSA-N 419.526 0.902 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(Cl)c3)CCO2)C1 1834179552 ZMDWBXYDVRTGCH-MGPUTAFESA-N 421.881 0.843 30 20 HCED Cc1oncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834314732 KPOTYDBIGRJLRR-FQEVSTJZSA-N 419.482 0.335 30 20 HCED Cn1ccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834395428 FHQSJABIENSCNV-YUSOBQLHSA-N 415.450 0.202 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](N)CCC(N)=O)CCO2)C1 1835561039 VSIDJHWEHCJCTG-HRAATJIYSA-N 424.542 0.028 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1835615685 ZPSLKRQQJOTNQH-QHCPKHFHSA-N 413.518 0.883 30 20 HCED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3cc(C#N)c[nH]3)CC2)CC1 1836170525 XEHVXPFLXIXZBC-AWEZNQCLSA-N 400.483 0.206 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](CC)NC(C)=O)CC2)CC1 1836615557 GXDXGAOBCOZGRH-OXJNMPFZSA-N 421.538 0.938 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)C3(C(=O)OC)CC3)CC2)CC1 1836861608 DZMXUZOMJIHQJA-INIZCTEOSA-N 420.506 0.977 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1837398641 GTBDTNUZMDDUQE-HRAATJIYSA-N 421.469 0.864 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n(C)n1 1838950577 PNXABIHMMQQJPU-QFIPXVFZSA-N 423.473 0.984 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1839238462 OBEHZJMXHSAXAV-HXUWFJFHSA-N 403.483 0.575 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1-n1nccn1)CCO2 1839379743 KWNQCYGDRYLSTH-FQEVSTJZSA-N 410.434 0.251 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1839682766 GOEBMCDEBNBSML-AUUYWEPGSA-N 409.439 0.308 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886346 XVCVWKGESWHYBH-KRWDZBQOSA-N 403.426 0.180 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)C(C)=O)C2)C1)C(F)(F)F 1839892847 CWMBOUMGLXLJJR-SUMWQHHRSA-N 421.416 0.428 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2 1840608026 CSANEDUARCKALX-MZFFGNMWSA-N 417.462 0.047 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc4ccc(F)cn34)C2)C1 1840844003 YFUKBADFROBDHM-NRFANRHFSA-N 414.437 0.957 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)Cc3ccccc3)C2)C1 1840844388 TUVNCKKVYSAHTA-KNQAVFIVSA-N 400.475 0.460 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840852485 OUKMQWZXGCTQEJ-UZLBHIALSA-N 406.483 0.051 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C(=O)N(C)C)C2 1841746521 ONTQDFBDDAAJSK-AWEZNQCLSA-N 408.499 0.747 30 20 HCED Cc1nn(-c2ccccc2)c(O)c1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1842194820 LZDRDFMEBCNTQJ-UHFFFAOYSA-N 408.414 0.791 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)CN3CCN(C)CC3)C2)c1 1843915413 QXDNBYMYWONOQS-UHFFFAOYSA-N 411.506 0.631 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197270 NHUADJWRFCIGSO-HNNXBMFYSA-N 419.478 0.925 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)CCC#N)C2 1846216890 OIEJULXBGCUKJO-CABCVRRESA-N 406.483 0.864 30 20 HCED C#CCNC(=O)COC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 19019536 JQDUEXYDBJPQDN-KRWDZBQOSA-N 406.460 0.725 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 46043691 BFAJQRVJDOWCBQ-UHFFFAOYSA-N 400.483 0.296 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 434775943 QBRBCOIPIAYISN-UHFFFAOYSA-N 414.510 0.820 30 20 HCED Cc1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)cc1S(=O)(=O)NCC#N 444377914 ZJJGJUKHCAOPFR-UHFFFAOYSA-N 404.492 0.881 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1C1CC1 446135117 FHHRFTKMDNWLMC-UHFFFAOYSA-N 413.499 0.827 30 20 HCED N#C[C@@H]1N(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CCC[C@]12CCCCO2 447901778 CTRBYEUVOCCXHA-CMKODMSKSA-N 424.567 0.245 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 460550444 HPRIJZMIBVFTQI-QWHCGFSZSA-N 407.562 0.724 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1C 461370601 GEAALTPZLOHRMJ-UHFFFAOYSA-N 401.488 0.249 30 20 HCED COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)sc1S(N)(=O)=O 465265209 JPKQEPOESHUYJU-SNVBAGLBSA-N 422.492 0.417 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 475206106 XCUWPMONUQCUTP-UHFFFAOYSA-N 410.434 0.211 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c1 476749090 USJOJGHNTZLUNV-ROUUACIJSA-N 420.473 0.918 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2nncn2C)C1 480798668 LNROWOYKSRSMIU-DZGCQCFKSA-N 402.480 0.760 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 489539020 XOYHZWNOVLPIRF-UHFFFAOYSA-N 419.507 0.810 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2=O)cn1 508460600 ZMRSJAKXKKHYIT-ROUUACIJSA-N 421.461 0.892 30 20 HCED NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCC#Cc3cccc(F)c3)CC2=O)c1 513918826 PQIRBPRSYRPPBI-HNNXBMFYSA-N 415.446 0.994 30 20 HCED N#C[C@@H]1CN(C(=O)NCCN2CCCS2(=O)=O)C[C@]12C(=O)Nc1ccccc12 514001734 NEUHIGNGSUFUQV-ACJLOTCBSA-N 403.464 0.077 30 20 HCED C=CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 533065505 XERYMMXPZDQFSW-HNNXBMFYSA-N 415.537 0.517 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 533279937 XQJGUGSYJFBEGQ-PXNSSMCTSA-N 411.506 0.528 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN(C)S(=O)(=O)c1cccnc1 536788019 AIZKYLGLHLZXIS-UHFFFAOYSA-N 420.451 0.628 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@H](C)C1 540476106 IYQSUWSBJPYOJQ-CABCVRRESA-N 422.507 0.321 30 20 HCED C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 542064876 ZEQJCTFLAHVCMX-CYBMUJFWSA-N 400.414 0.658 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N 545350590 UJMYZWXTXMAZMQ-UHFFFAOYSA-N 414.915 0.623 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 553255325 YSBWZWUIXARPBA-UHFFFAOYSA-N 410.471 0.859 30 20 HCED CCOCc1nc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)no1 555171557 LMFJYHMDMXHVKA-LBPRGKRZSA-N 407.452 0.976 30 20 HCED COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2cnccc2C#N)CC1 555551912 KWKFYYSIRADUBH-UHFFFAOYSA-N 401.448 0.714 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)cc1 560531239 ZDZSXYPGYMNXQE-SFHVURJKSA-N 420.535 0.576 30 20 HCED CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(c2cnccc2C#N)CC1 561439689 BLMBYKREIOWVRX-UHFFFAOYSA-N 407.478 0.881 30 20 HCED COCCCN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCS(=O)(=O)C1 568438100 FWNZRLQLMAORDP-HNNXBMFYSA-N 401.510 0.253 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ncccc1N(C)C 568938440 BAZMWDIGKWHIOA-UHFFFAOYSA-N 404.434 1.163 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)c(F)c1 574973590 ZZSZKNBUDOEMNR-UHFFFAOYSA-N 403.458 0.184 30 20 HCED C=CCOC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1)C(=O)OC 578064985 XKCIDPLLXGNGST-SJORKVTESA-N 410.492 0.955 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 578692837 ITNANPDZTBHBPI-KDOFPFPSSA-N 411.462 0.249 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1Oc1ccccc1 588127306 BTUXXTVPTMAGDN-IPMKNSEASA-N 400.479 0.832 30 20 HCED N#Cc1c(NC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)n[nH]c1C1CC1 588767603 WGONEKNJGAUTLU-UHFFFAOYSA-N 407.477 1.493 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F 588905765 ZXNIZWKBHPMNAS-HNNXBMFYSA-N 418.516 0.778 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccccc2[C@H]1C(N)=O 610805896 OIKDLPKLDZPRCL-ACJLOTCBSA-N 412.471 0.836 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(CCC#N)CCOC)s1 611341125 FSORKAUIUXJTFB-UHFFFAOYSA-N 409.555 0.781 30 20 HCED N#CCN1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 611645142 WTLDSISHUYIATM-HOCLYGCPSA-N 412.899 0.132 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)S(N)(=O)=O 615407543 YFSVEWLBHWCYAJ-NSHDSACASA-N 403.420 0.477 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)cc1 683369319 RKNAZFWMMJHYCM-UHFFFAOYSA-N 421.479 0.167 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)C1=O 726042906 OKMMCLUADPTFNA-UHFFFAOYSA-N 403.435 0.447 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 729256662 DNFFRAVDRHTXAD-UHFFFAOYSA-N 406.527 0.917 30 20 HCED CC(C)(C)[C@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 732715020 CZRLZZRKIBAABU-QGZVFWFLSA-N 423.491 0.341 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 733315981 GPBYTCOLRBERBC-UHFFFAOYSA-N 403.426 0.902 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 735083060 RZYHKCWKWRCLEG-FOCLMDBBSA-N 424.391 0.171 30 20 HCED C#CCCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)CC1 743493062 GJMKXMOVGSUKPT-UHFFFAOYSA-N 400.464 0.315 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 743993685 TVNJKQAPRXNSRM-LRDDRELGSA-N 413.409 0.820 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 745354306 SWVAEXXSWAVEMZ-NHYWBVRUSA-N 419.463 0.345 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)c1cn(CC(N)=O)nn1 745468409 NFUKNVDYKYOZBM-LLVKDONJSA-N 402.436 0.811 30 20 HCED C#C[C@H](CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 754379060 FTHRLKJFQOCTMS-MRXNPFEDSA-N 421.519 0.836 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3nc(N)ns3)CC2)C1 758760456 ORILZAJJRRUMNZ-RYUDHWBXSA-N 422.515 0.711 30 20 HCED C[C@H]1CCS(=O)(=O)CCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 762509104 SCXZMHZOVBHSOV-OLZOCXBDSA-N 413.521 0.539 30 20 HCED CS(=O)(=O)CCNN=Cc1ccc(OCCn2cc(C(=O)O)nn2)c(Cl)c1 763176629 SBIFRCDPAYANLK-UHFFFAOYSA-N 415.859 0.677 30 20 HCED CCOC(=O)[C@@H]1CSCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764761224 LBFDGKKTKNNEBR-WFASDCNBSA-N 411.505 0.732 30 20 HCED COC(=O)C[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCOC1 771657786 WDKKBWZDMRNEDZ-UGSOOPFHSA-N 409.464 0.454 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(-c2ccncc2)c1 771897521 OWFNZABDJIZDJS-UHFFFAOYSA-N 413.459 0.849 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)c2cccnc2)CC1)c1cc[nH]n1 772120394 FAQDIPOJGLULOX-UHFFFAOYSA-N 414.422 0.073 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3cnn(CC)c3)c2=O)cn1 772300753 IIQZWZOYRCKAQZ-UHFFFAOYSA-N 423.502 0.440 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 773471612 AWCGYEHZJAYZTK-INIZCTEOSA-N 409.446 0.678 30 20 HCED C#C[C@H](NC(=O)N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NC)c1)[C@H]1CCCO1 773563147 VTAHDRSAPXWNQH-VBNZEHGJSA-N 408.480 0.402 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 775191094 MAMQNFKNCCNSIG-KTNMXJNISA-N 422.507 0.739 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 780045689 CQZDWSIJTKJXCZ-OAHLLOKOSA-N 415.494 0.832 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCN2CCNC(=O)C2)C1=O 781104521 WPRUTHLEBZRTBS-HNNXBMFYSA-N 419.507 0.195 30 20 HCED CCN(CC)S(=O)(=O)CC(=O)[C@@H](C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 784833363 IRXSNBWNEDVFHM-OAHLLOKOSA-N 408.480 0.707 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1 786367856 PQFKSKRCSKKAIG-RGCFKVTRSA-N 411.414 0.787 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 786758096 JTPYYTMPGSTYNY-WUKNDPDISA-N 401.379 0.894 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 788108351 RMCBECANZWDKIE-HNNXBMFYSA-N 404.467 0.588 30 20 HCED Cn1cc(S(=O)(=O)NN=C2C[C@H](Oc3ccccc3)C2(C)C)c(=O)n(C)c1=O 789037847 MENFHIKVPDLFJM-HNNXBMFYSA-N 406.464 0.596 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2OC)[C@@H]1CCS(=O)(=O)C1 790958106 RFZUXCUTMOYDFW-CZUORRHYSA-N 406.460 0.744 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCC1(c2ccc3c(c2)OCO3)CCOCC1)[C@H]1CCCO1 793933988 GQLBMCMBBNZKNP-IAGOWNOFSA-N 414.458 0.877 30 20 HCED COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)CC1(C#N)CC1 805915701 KLCWSQSMRYVUHW-NSHDSACASA-N 403.457 0.583 30 20 HCED C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C(C)(C)C 808235768 FKBYVWHNYKOGSB-MRXNPFEDSA-N 407.540 0.881 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCCC[C@H]2CN2CCOCC2)cc1C#N 809504082 OVZNRHBYZMHATJ-SFHVURJKSA-N 400.479 0.896 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 810772694 AXSJRBZVULLDEB-CYBMUJFWSA-N 404.535 0.927 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)c1 813984343 RYAZFIZSJLKYHT-OAHLLOKOSA-N 416.394 0.017 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249604 URIGJIFCRSYJSM-UHFFFAOYSA-N 421.473 0.809 30 20 HCED C#CCNC(=O)CCN1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 815021684 OHSLBRWPMJIRAO-KRWDZBQOSA-N 406.527 0.917 30 20 HCED C[C@H](C#N)OC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 825293262 QBGRDVMOAYUVSI-ZWNOBZJWSA-N 408.885 0.877 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)C2)cc1 918287836 WZPTWMYZEMNCNY-XSOQZJFOSA-N 408.480 0.421 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NCC1(C#N)CCOCC1 1251559712 OXKRXIVUFMHJRJ-UHFFFAOYSA-N 414.459 0.814 30 20 HCED C[C@H](CN1CCN(C)CC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1251844025 WMIUMAXCAYSZOK-CRAIPNDOSA-N 412.494 0.515 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc(C#N)c(O)nc3=O)C[C@H]21 1295454395 XLHFDDCQLYBIDH-BPLDGKMQSA-N 417.466 0.972 30 20 HCED C[C@H](O)c1cn(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1300414614 ROHVRYIDEIEQGA-AWEZNQCLSA-N 406.450 0.942 30 20 HCED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NC[C@@H]1CCCN(CC#N)C1 1323508610 PHCYAFFOWQXHCE-INIZCTEOSA-N 402.499 0.612 30 20 HCED C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1449501760 TVOZEWUIXSXHEG-AWEZNQCLSA-N 412.537 0.853 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1CCN(S(C)(=O)=O)CC1 1457944789 NWOVILUOZYKHQG-CQSZACIVSA-N 406.512 0.447 30 20 HCED CC1(CNC(=O)Cn2cc(C#N)c(O)nc2=O)CCN(C(=O)OC(C)(C)C)CC1 1546138147 QEDZKPGSIYRNQW-UHFFFAOYSA-N 405.455 0.974 30 20 HCED COc1ccc(C2=NO[C@@H](CNC(=O)CCn3cc(C#N)c(O)nc3=O)C2)cc1C 1634891774 ROWSVJGDGKVISW-OAHLLOKOSA-N 411.418 0.837 30 20 HCED Cn1nnnc1-c1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1636753310 XLNWMSVHCWFIQB-UHFFFAOYSA-N 411.447 0.944 30 20 HCED C[C@@](O)(CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1Br 1663032699 DRJSWBNRYUDZSD-BXUZGUMPSA-N 404.286 0.715 30 20 HCED CNC(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1697001630 XCEYDTDVRVOYCG-AWEZNQCLSA-N 400.439 0.827 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 1706077736 PNDGVYOHRKHHHF-RBSFLKMASA-N 412.516 0.386 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1748107317 ULRNEDCDCOQLPS-CYBMUJFWSA-N 419.511 0.184 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)c1 1778002623 FFJVZENBDZYEKM-SQGPQFPESA-N 403.458 0.111 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1778963738 APSLSJKRISSLRS-KZULUSFZSA-N 409.512 0.596 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779138936 JVLWJLQFMCBSKA-BHPBEWJQSA-N 414.466 0.456 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)c3ccnnc3O)C2)C1 1779917465 LKAIAYYMYFCWMB-MRUVXERFSA-N 402.455 0.097 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)CCN4CCOC4=O)CCO3)C2)c1 1780334258 IKSKAUGZSYRFFH-LJQANCHMSA-N 401.423 0.172 30 20 HCED COCCOCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780802271 RFLJNAZGIPBSSE-MBOZVWFJSA-N 413.515 0.964 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C(=O)c1ccco1)CCO2 1781265848 UDWKXTIUWKCDIT-FQEVSTJZSA-N 404.419 0.802 30 20 HCED CNC(=O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(C#N)cc3Cl)C2)C1 1781969978 XSBKZDFBNHETLC-IBGZPJMESA-N 404.854 0.791 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782632111 MBSZAAHHRTUHBJ-HKUYNNGSSA-N 408.524 0.899 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)Cn3c(=O)n(C)c4ccccc43)CCO2)C1 1783893237 KMIXMCWNVMKECE-XOBRGWDASA-N 418.519 0.488 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783930030 TWFPSEZAGBQYAX-RYQLBKOJSA-N 402.513 0.387 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CCC)NC(C)=O)C[C@@H]21 1784510582 RHFNTPPDXXTPDN-GBBGEASQSA-N 409.527 0.862 30 20 HCED NC(=O)NCC(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccc(Cl)cc3)CCO2)C1 1785624043 REHSSXZBVLDCPO-LJQANCHMSA-N 404.854 0.190 30 20 HCED C=CCSCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3CCN(C)CC3)[C@H]2C1 1786726051 UVGKBFHTPOUDAX-FHWLQOOXSA-N 424.611 0.523 30 20 HCED CCN(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660844 OYUKJDODSINUAC-DHOAOXLPSA-N 424.542 0.835 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21 1788754498 RAJJWIYFLXFRDJ-GTAWCEEGSA-N 409.486 0.709 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cnc4ccccc43)[C@H]2C1 1791178960 MAGHGIRZRZQLFB-MPGHIAIKSA-N 410.430 0.104 30 20 HCED C=CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C[C@@H]21 1791273839 SKDPFAPTMNGNMK-VGWMRTNUSA-N 411.499 0.428 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2C1 1791404691 XQWZVVZNRJGZDK-VMXHOPILSA-N 420.554 0.799 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3ncc[nH]3)[C@H]2C1 1791479930 RWHMGVQIOZOASM-ULQDDVLXSA-N 416.526 0.604 30 20 HCED C#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(N4CCN(C)CC4)CC3)C[C@@H]21 1792174039 YNZNMVURQFDJEE-FHWLQOOXSA-N 402.539 0.160 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1[C@H]3C=CS[C@@H]31)C2 1792489975 CIOZNSITCUGAGG-OOSFLUNJSA-N 403.504 0.310 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)c(F)c1)C2 1792490788 NPZHEEZWKZTLAP-XTLOUAGDSA-N 417.437 0.593 30 20 HCED C#CCO[C@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](C)NC(=O)c1cnccn1)C2 1793568422 HSOXWJAEVFZTPM-NNXHMXCWSA-N 413.478 0.271 30 20 HCED O=C(Cc1cncnc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1794163417 ZINSQYZIFPBKBB-RRGZJZOKSA-N 417.466 0.138 30 20 HCED COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1 1795411942 AHWYFTFJBMKJOI-QEOTZNIISA-N 401.463 0.635 30 20 HCED CC(C)[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](N)Cc1cccnc1 1796397191 LHBFUALPDQAZBG-ADHGMGHFSA-N 406.552 0.495 30 20 HCED C=CCCc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ncon2)c(O)n1 1798349337 KWUOTXLOXLISTO-YWVIFJGQSA-N 413.434 0.806 30 20 HCED 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NKCFWXGCXSCCFK-IDTUSYRASA-N 405.455 0.269 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC2CC2)n[nH]1 1815118012 JCPLRWKBNXUIBI-PBHICJAKSA-N 403.439 0.880 30 20 HCED N#CC1(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@H]4CCCS4(=O)=O)sc3C2)CC1 1824929256 ZIHZNPVTNXVYBR-ZWNOBZJWSA-N 408.505 0.936 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)C[C@H]2NC(=O)NC2=O)CC1 1825071735 SHFQSMDXTUFISC-DJIMGWMZSA-N 418.494 0.243 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@](C)(O)CC(=O)O)C3)C2)C1 1829673683 ROSMDVZEHPWIQZ-VQTJNVASSA-N 410.467 0.025 30 20 HCED CNc1nsnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1829748768 FIHZFBQPQLGSGB-KRWDZBQOSA-N 408.484 0.200 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC=C)C2)C1 1829764936 ZDZIDXMRGMONON-KKHYBRAUSA-N 423.535 0.220 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)CCO2 1830067954 UQYKDMMAEISQHR-NRFANRHFSA-N 421.494 0.476 30 20 HCED CCNC(=S)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1831094052 RSNITYKNCOQJAU-HNNXBMFYSA-N 408.524 0.178 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)cc1 1833711658 PHCCYUJZFKRRQM-NRFANRHFSA-N 409.446 0.594 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1834769948 QSGGYRGKTVKGOE-CQQBXOTJSA-N 424.494 0.545 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835268942 VRHYCQFJDJMDNO-TTYLXTBDSA-N 410.515 0.076 30 20 HCED C[C@@H](Nc1cccnc1)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342749 OJAFJTVNCSGEHI-IIBYNOLFSA-N 413.478 0.642 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(-c4ccccc4)n3)C2)C1 1835357147 ICGJEDXRMGGLLQ-OAQYLSRUSA-N 424.461 0.641 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csc(N)n3)CCO2)C1 1835789596 NRKVOAMEDYCOOG-SCLBCKFNSA-N 410.496 0.386 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn4nccc4c3)CCO2)C1 1837155905 RMQBLIZKFHDBTH-NRFANRHFSA-N 411.462 0.954 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3oncc3C)C2)C1 1837399425 SXTRWLFCEJJEJN-FOIQADDNSA-N 407.467 0.626 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1cc(Cl)ccn1)CCO2 1837652009 LIUPAYIFSLHNGQ-IBGZPJMESA-N 422.869 0.874 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4n3)CCO2)C1 1838431446 QSRRCLRGKYOSPR-FZKQIMNGSA-N 405.480 0.118 30 20 HCED CN1CCC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)CC1 1838733231 UNOYXNBFJQIWTP-OAQYLSRUSA-N 415.494 0.298 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838735204 YYTULGVTEFPEIF-JNAXZKDPSA-N 403.483 0.330 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCS(C)(=O)=O)CC2)CC1 1838785841 IZDBWPAWCMJXRK-CYBMUJFWSA-N 406.570 0.738 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cccn3)C2)C1 1839224616 NBGRSKAQCXNZIA-QFBILLFUSA-N 407.471 0.140 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(C)c3)CCO2)C1 1839307030 AORPJFRQXOZKGU-VGSWGCGISA-N 416.474 0.809 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1)C(F)(F)F 1839893053 KRTIMPUCFVDTQJ-KRWDZBQOSA-N 421.416 0.334 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840163319 GESMCYNUBXXSMG-ORAYPTAESA-N 422.482 0.862 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)CCSC)CCO2 1840200936 XMKXWVDYGPKZNL-BXWFABGCSA-N 400.541 0.769 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)CNC(=O)C(F)(F)F)CCO3)C2)C1 1840201477 SPTMNOLVYCSGDN-QGZVFWFLSA-N 419.400 0.088 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1840269073 LIHCAQWHOUBDOL-NEYJZJCJSA-N 410.511 0.585 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCCN1C(C)C)CCO2 1840581596 INXCFNAIHJIHQD-IPJJNNNSSA-N 421.538 0.354 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840646348 DNRYMHGTOJNZSY-FQEVSTJZSA-N 400.435 0.159 30 20 HCED O=C(CS(=O)(=O)N1CCCC1)N1CC2(CCCN2C(=O)C#Cc2ccccc2)C1 1842730410 RTTYSTDQMTYZDK-UHFFFAOYSA-N 415.515 0.667 30 20 HCED CC(C)(C)OC(=O)N[C@H](C(=O)N1CC2(CCCN2C(=O)CN)C1)C(C)(C)S 1842878427 AEKPUEVEJBKTBX-CYBMUJFWSA-N 400.545 0.750 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC2(CCCN2C(=O)CCN2CCOC2=O)C1 1843857477 WLBDYUJIWAXPPS-XNHPLOEXSA-N 408.455 0.561 30 20 HCED CC(C)[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845436306 AFIPYDASURZPCX-STQMWFEESA-N 401.529 0.987 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2)C(F)(F)F 1846013785 PEHYGZLUVMXMAQ-UHFFFAOYSA-N 409.430 0.039 30 20 HCED CCN1CCC[C@H]1CN/C(N)=N/Cc1ccccc1CS(=O)(=O)N1CCOCC1 303903630 UOUSVSQIYZRDOK-IBGZPJMESA-N 423.583 0.737 30 20 HCED C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 410115411 GTQAJUIQANFHJU-JSGCOSHPSA-N 402.498 0.057 30 20 HCED Cc1cc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)no1 410220838 RKJISDAMZRDEPN-OAHLLOKOSA-N 417.491 0.866 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 410323470 NCHBJQUYHATWIH-CYBMUJFWSA-N 418.479 0.621 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc([C@H]2CCCO2)nn1C 434811954 AQFJPDMJQXRPQQ-XJKSGUPXSA-N 424.465 0.609 30 20 HCED C=CCN(CC(=O)c1c(O)nc(=O)n(CC)c1N)[C@H](C)c1cccc(-n2cnnn2)c1 436396905 XXQFKQVZJOFNIO-CYBMUJFWSA-N 424.465 0.959 30 20 HCED C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442039576 BXIQBIZNNBQEMV-DQQVXTMASA-N 407.883 1.561 30 20 HCED COc1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1C(N)=O 443433213 ZRODGAZDHIEGKL-UHFFFAOYSA-N 412.431 0.778 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(CCN(C)C2=O)CC1 445255760 FIPWMQQYWJZKCK-CQSZACIVSA-N 404.492 0.696 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)cc2)c1N 447770763 UNDNEPWFPLDGKL-QGZVFWFLSA-N 414.491 0.966 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 462020469 MRCTUDXHHJPJFV-LSDHHAIUSA-N 417.495 1.287 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N 472094542 MRASWVCZHXRZCO-HZPDHXFCSA-N 403.531 0.931 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cn1C 474653782 GVOSGYGQQDKQSV-LJQANCHMSA-N 401.492 0.964 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 480274449 NOWHSFWLSDELGO-UHFFFAOYSA-N 420.516 0.863 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)C2)nc1 488001955 WKQRZYRHCYMBTD-OAHLLOKOSA-N 401.448 0.964 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 488998905 BHLAEICTHCMQEY-HNNXBMFYSA-N 424.478 0.976 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 489046783 ROAMDSVGPHBNOM-CQSZACIVSA-N 416.503 0.179 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1C 489169013 GNKYFJUFOJBTBW-UHFFFAOYSA-N 403.529 0.824 30 20 HCED N#CCCN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)Cc1ccccn1 494561171 ICIFQXAVXRLYMO-RTBURBONSA-N 420.535 0.992 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 498193462 AMEXWELRFDWMSE-CALCHBBNSA-N 420.535 0.989 30 20 HCED CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 501582622 YWSXNTYMVVWZPG-OAHLLOKOSA-N 413.521 0.918 30 20 HCED COc1ccnc(O)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 506054878 DQCSBCFZPPWOHO-UHFFFAOYSA-N 402.432 0.814 30 20 HCED C=CCn1c(COc2ccccc2CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508881211 OVXFWCSRFFUGIX-INIZCTEOSA-N 410.478 0.753 30 20 HCED CN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 509947133 UUYFGXYGGZDGCY-UHFFFAOYSA-N 405.524 0.029 30 20 HCED COC(=O)Cn1cc(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)nn1 510971868 WJKRPBCXBFKVCD-UHFFFAOYSA-N 413.438 0.907 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCO1 511256444 GCERPLZELFBSAT-PMACEKPBSA-N 419.551 0.348 30 20 HCED C=CCN(C(=O)CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCS(=O)(=O)C1 532446227 NDFZABJYUMBIBQ-QGZVFWFLSA-N 420.535 0.712 30 20 HCED CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2CCO[C@H](C#N)C2)c1 535110556 JIFGNFLCWVJOGH-CQSZACIVSA-N 423.495 0.530 30 20 HCED CCOC(=O)[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCOC1 543485781 JLHPNTNFBAWKQO-QAPCUYQASA-N 419.482 0.451 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCS1(=O)=O 543933191 PSKGWRNIDPXYMU-UHFFFAOYSA-N 419.438 0.857 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)CC2)nn1 545401533 HFRURWLRYUGSFJ-UHFFFAOYSA-N 400.370 0.878 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 547714450 BHBRLEPMDQGPQB-UHFFFAOYSA-N 420.426 0.943 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc(OC(C)C)cc2)CC1 550554258 NDCJQUXBRCAJMR-UHFFFAOYSA-N 416.522 0.579 30 20 HCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 551189709 AXWOUORLOLMZGT-UHFFFAOYSA-N 413.459 0.644 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1C(=O)CNC1=O 553817991 UHFSUXYQICCGLW-UHFFFAOYSA-N 401.242 0.541 30 20 HCED C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CCN1c1nccn2cnnc12 555771798 HGUZFNJQJUOHKG-AWEZNQCLSA-N 416.445 0.622 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCc2c[nH]c3ccccc23)CC1 557894137 ZLJOIUWACPXUPG-UHFFFAOYSA-N 411.506 0.663 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNC(=O)c2cccnc2)n1 558530344 VERYOTCKEHALJT-UHFFFAOYSA-N 404.390 0.019 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccc(C#N)cc1 559723001 BJIZCJGRKBWNPJ-MRXNPFEDSA-N 411.506 0.748 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 560059203 FMFZFUFBWGOEIQ-UHFFFAOYSA-N 400.526 0.775 30 20 HCED CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 560994009 YRIPQXBYTMUNFL-UHFFFAOYSA-N 402.432 0.486 30 20 HCED COc1ccc(C[C@@](C)(O)CNC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1OC 566709343 JAOAWFCBDMMDJU-HXUWFJFHSA-N 415.450 0.862 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)C2)CC1 579414499 OCBDJZPRSHISEL-MRXNPFEDSA-N 422.493 0.316 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C2)nn1 583666884 XKYLWYTVZDNQRV-OAHLLOKOSA-N 408.418 0.689 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCN3Cc4ccccc4C3)CC2)c1 585776036 JQMBNUSQFZQJEA-UHFFFAOYSA-N 404.474 0.734 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1cccc(C#N)c1 587672941 FSQZNKMSZRYYLD-HUUCEWRRSA-N 418.461 0.910 30 20 HCED CNC(=O)c1cccc(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 589429364 XGRMISSVYMMCTQ-UHFFFAOYSA-N 400.460 0.555 30 20 HCED CCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 608819350 XJIUHCMKWAXBCU-OAHLLOKOSA-N 410.521 0.872 30 20 HCED CN(C)S(=O)(=O)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 608994408 LXVZXAZJKNBSAI-UHFFFAOYSA-N 421.527 0.056 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 610574368 MEKKKAMTVBHGMB-UHFFFAOYSA-N 424.526 0.692 30 20 HCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)nn1CCC#N 611481847 CNQJOPZKFHYYNV-UHFFFAOYSA-N 407.456 0.773 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@](F)(C#N)C1 615639870 NXOXGYPXIUSUTQ-KSSFIOAISA-N 410.471 0.972 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)CC1 728533004 QRCIREMRPJKTFW-UHFFFAOYSA-N 414.462 0.701 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nc(N)nc(Nc3ccccc3CC)n2)CC1 728573116 LNAQJIVYWDXKAS-UHFFFAOYSA-N 408.510 0.627 30 20 HCED Cn1nc(C(=O)N2CCN(CCOC(=O)/C=C/c3ccccc3C#N)CC2)ccc1=O 729208394 IECCQFHDOHHSLC-RMKNXTFCSA-N 421.457 0.666 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(C)(C)NS(C)(=O)=O)c1 742049490 ZKUAYYMLJVMENG-JXAWBTAJSA-N 416.525 0.766 30 20 HCED CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 742179520 QPLYFPCPWPXJCR-AWEZNQCLSA-N 417.534 0.438 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(NS(=O)(=O)CC)CC1 743892969 NXFRZTNQMMPNCS-UHFFFAOYSA-N 411.455 0.707 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 748547501 QYRRNUMCQRYLAM-GOSISDBHSA-N 418.519 0.152 30 20 HCED C[C@@H](CC(=O)NCC(C)(C)S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 748745252 PJKLGGUINOMNTA-NSHDSACASA-N 401.510 0.443 30 20 HCED C[C@H](OC(=O)CCn1cc(S(N)(=O)=O)cn1)C(=O)N(CCC#N)c1ccccc1 749327544 RWISHKWITRNEOX-AWEZNQCLSA-N 419.463 0.799 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CN1C(=O)N[C@H](Cc2ccccc2)C1=O 756882769 GCUMOHKXIBEESS-DOTOQJQBSA-N 405.462 0.979 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)s2)c1=O 758067868 ITXSADQVOYOTFW-UHFFFAOYSA-N 401.513 0.569 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(OCCOC)c3ccccc3n2)CC1 758988749 DZBSGGCAIMUQIS-UHFFFAOYSA-N 410.474 0.767 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(-c3cnc4c(c3)c(=O)n(C)c(=O)n4C)n2)c1 761797067 VWSIUMFSDLVGHX-UHFFFAOYSA-N 416.397 0.712 30 20 HCED C#CCN1CCN(C(=O)CN2CCNC(=O)[C@H]2c2cccc(Br)c2)CC1 766253392 XFAFRHVBFVZNSC-GOSISDBHSA-N 419.323 0.699 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(F)cn2)CC1)c1cc[nH]n1 772519218 WILSKTRWFUCNBR-UHFFFAOYSA-N 404.402 0.576 30 20 HCED CCOC[C@H](C(=O)OC)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 772714269 UPGVUUXLJIXRSJ-TZMCWYRMSA-N 411.480 0.540 30 20 HCED COC(=O)c1cn(CCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nn1 774598134 ZGQCLJMDFNBWJA-UHFFFAOYSA-N 407.408 0.114 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1CN1CCNC1=O 777831340 AGDHCUZBTDECAB-UHFFFAOYSA-N 413.459 0.889 30 20 HCED CN(CC(C)(CO)CO)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 780995027 YSEHPYLIAZXYOV-UHFFFAOYSA-N 411.524 0.735 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Nc2ccn(CC(N)=O)n2)c1 782725395 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C=CCS(=O)(=O)CCNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl 798452535 IMQQSGKKCJVYRA-UHFFFAOYSA-N 423.944 0.908 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)CC1 801689642 OASUVYYHSMOJJP-UHFFFAOYSA-N 414.505 0.249 30 20 HCED CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC#N)CC1 803538975 LZSWONKSNSBFPB-MRXNPFEDSA-N 407.515 0.996 30 20 HCED C#CCN=c1nc(N2CC[C@H](C(=O)OC)[C@@H]2C)[nH]c(N2CC[C@@H](C(=O)OC)[C@@H]2C)n1 804645994 JUKTWMUBHABNHR-ZQDZILKHSA-N 416.482 0.114 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)C1=O 808222193 LAYSULQHYNSAHA-ZWKOTPCHSA-N 412.490 0.539 30 20 HCED C=CCC1(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 810987430 LVCUJAAKQWKHFZ-UHFFFAOYSA-N 414.505 0.876 30 20 HCED C#CCn1ccc(CN(CCOC)c2nnc([C@H](C)NS(C)(=O)=O)n2CC)n1 812032270 HZBUGURODRIUIF-AWEZNQCLSA-N 409.516 0.391 30 20 HCED CN(CCn1cc(Br)cn1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 812038359 MTSZLFHYLBIGRM-BUHFOSPRSA-N 411.260 0.813 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)nc1 918265155 SGEWBQZBGXQCLF-UHFFFAOYSA-N 417.429 0.725 30 20 HCED N#Cc1cn(CCNC(=O)c2cc(Br)cc3nc[nH]c23)c(=O)nc1O 1167526643 AJDGTAJODZUYHE-UHFFFAOYSA-N 403.196 0.889 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)CCO1 1316535653 WYLDPZVEJUECMI-KRWDZBQOSA-N 423.477 0.584 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)cc1 1342516784 BHSKATBPKJTKIE-HNNXBMFYSA-N 407.386 0.602 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1360477268 XTDFNNZMHCDUTN-UONOGXRCSA-N 420.495 0.942 30 20 HCED CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N2CC(O)(CC#N)C2)cc1 1447924725 RCRFGCIUYMLWAB-DOTOQJQBSA-N 407.492 0.421 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)c(=O)nc1O 1454618174 OSYFPSUILZPMBV-LBPRGKRZSA-N 405.773 0.535 30 20 HCED COc1ccccc1N1CC[C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1477738769 QYYTUGKMWZTBOE-CQSZACIVSA-N 412.450 0.655 30 20 HCED CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1515743944 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HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1(N2CCOCC2)CCOCC1 1683031960 XBKXRHVRGYQXGV-UHFFFAOYSA-N 405.503 0.319 30 20 HCED C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1722864645 UQWVWBJJWWALPK-CYBMUJFWSA-N 420.499 0.413 30 20 HCED COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)OC 1749345105 WXRQYFACOJYTEQ-QGZVFWFLSA-N 414.466 0.669 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccn(C)n1 1751214965 UJEFEDSGBFADQA-CYBMUJFWSA-N 406.516 0.800 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4ncccn4n3)CCO2)C1 1778973461 RUGJXPNCNBBGLU-IERDGZPVSA-N 413.478 0.746 30 20 HCED C=CC[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](O)NC(=O)OCC)C1 1779200766 OEMWZNHUIHCESJ-NVALYEJGSA-N 411.499 0.777 30 20 HCED CCNC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779327387 SYXSCUZCCKVESA-WHSLLNHNSA-N 419.526 0.902 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)[C@H](O)C=C)C2 1779534062 KCIMODANNBGOOK-QNFHRHJVSA-N 421.538 0.764 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097352 KEGSQPDTFLQEKI-BBTUJRGHSA-N 408.543 0.043 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1nccnc1C)CCO2 1781270725 UTRRTLIYKLGGPX-FQEVSTJZSA-N 402.451 0.738 30 20 HCED N#Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)Cn4nccn4)C3)C2)ccc1F 1781424438 NTZSUPWUGPAAEJ-FQEVSTJZSA-N 412.425 0.361 30 20 HCED N#CCc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2cnc(O)nc2O)CCO3)cc1 1781786676 JHBKSUHVQUVPST-OAQYLSRUSA-N 423.429 0.711 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CCc4c(C(=O)OCC)ncn4C3)C2)C1 1782856429 SXJSMYSYYOOWEP-QVKFZJNVSA-N 414.462 0.085 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(F)c[nH]3)C[C@@H]21 1783533044 MIAVVUAQBGKION-IBKBTCHNSA-N 404.442 0.606 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1ccc3ncccc3c1)CCO2 1783557632 JCVXJNOQPYJXTR-JOCHJYFZSA-N 407.426 0.695 30 20 HCED COCCOCCOCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1783665913 BAUFTVOOMPGJRX-OAQYLSRUSA-N 423.510 0.580 30 20 HCED 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C#CCCC(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C)C2 1847000491 YYRVQIRFIJJZBZ-CVEARBPZSA-N 405.495 0.974 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(N)=O)C1 1847106573 CXBAOYDHMQUYKG-ZDUSSCGKSA-N 409.487 0.328 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnc2sc(C)cn2c1=O 1847802488 YYBXBSNXTDMRHE-KBMXLJTQSA-N 414.487 0.918 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)c1 45879820 ASVLEJNERTXCAR-UHFFFAOYSA-N 416.441 0.873 30 20 HCED Cn1c(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)c(C#N)c(=O)n(C)c1=O 301810905 BMOXPOSARCXBIG-UHFFFAOYSA-N 416.869 0.370 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CCO1 409481482 AMRLZSJTDTVGID-VIFPVBQESA-N 412.419 0.148 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 409538102 ORPGBVISKLZGCT-CQSZACIVSA-N 418.516 0.858 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCO1 410138674 SUFFAIKIMXETQG-IAGOWNOFSA-N 414.915 0.772 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C1=O 410145932 QPKQYQNNRVCTFW-JQWIXIFHSA-N 400.482 0.566 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccccc1-n1cnc(C#N)n1 426826941 URCRTYZPVQSGGB-NSHDSACASA-N 400.424 0.178 30 20 HCED N#CCN1CCC(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 427803568 MJUPAYWCSQINPS-UHFFFAOYSA-N 400.526 0.120 30 20 HCED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N[C@@H](C)C#N 432131819 WBJVGIMTZFWXLT-YOEHRIQHSA-N 422.507 0.490 30 20 HCED CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 434991116 MPFCVYNGKQKJQB-GFCCVEGCSA-N 412.468 0.367 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 438062413 NJZVPMMLEVRSEF-RDJZCZTQSA-N 416.544 0.308 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)[C@H](C)CC#N)c2)CC1 439325695 KMIMZGKACJFHHV-OAHLLOKOSA-N 421.523 0.712 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cnc(N2CCOCC2)c(Br)c1 439826586 GUIOVKLCXQGSNA-LLVKDONJSA-N 413.272 0.672 30 20 HCED CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 441850017 SDRZCTMLRANBPM-HNNXBMFYSA-N 412.425 1.291 30 20 HCED Cn1cnn(-c2ccc(NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc2)c1=O 442211092 UYTWFDHONRWADZ-UHFFFAOYSA-N 408.422 0.971 30 20 HCED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(F)c(C#N)c1 442313237 WBSRWQHHNDHFHC-KBUPBQIOSA-N 403.366 0.587 30 20 HCED CN1CCN(CCNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1(C)C 443126409 YYTIZMSWBQOFGD-UHFFFAOYSA-N 410.482 0.220 30 20 HCED N#Cc1cc(N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2ccc([N+](=O)[O-])cc12 443485629 GFBFHLDLDIIRBM-SJORKVTESA-N 417.447 0.295 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCSC 443567567 TZGLBZVEVMOCAV-UHFFFAOYSA-N 409.558 0.600 30 20 HCED COCCOCCS(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 443685665 NROPOQZNUWWEJQ-UHFFFAOYSA-N 410.452 0.921 30 20 HCED CCOC1CC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)(N2CCOCC2)C1 447427193 PODVASRMXFCKDJ-UHFFFAOYSA-N 416.478 0.891 30 20 HCED N#CCN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 465138305 GHQOLUDTGGLKBO-UHFFFAOYSA-N 415.313 0.785 30 20 HCED N#C[C@H]1N(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CCC[C@]12CCCCO2 468669180 RCWBTRGPOHEHRT-CXAGYDPISA-N 410.452 0.111 30 20 HCED CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 471056614 LHZXWAVCIXJJCE-NRFANRHFSA-N 413.478 0.391 30 20 HCED CCOC(=O)Cc1nnc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 471970693 PDPYAZDUMSZJDC-UHFFFAOYSA-N 418.483 0.911 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)NC[C@H]3COc4ccccc4O3)CC2)c1C#N 472153422 JAUSWWRAQIFHFN-INIZCTEOSA-N 410.478 0.678 30 20 HCED Cn1ccnc(N2CCN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)CC2)c1=O 473896264 LUUNDXXGZTXKQI-GOSISDBHSA-N 420.473 0.492 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)C1=O 480164419 LOSNNTXLMMUITN-UHFFFAOYSA-N 402.798 0.895 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)C(C)C 495967215 UXJOTURIKIBOQZ-OKZBNKHCSA-N 411.568 0.837 30 20 HCED C[C@H]1CN(CCCNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)O1 496829969 HQFOCSDXSGQRES-HOTGVXAUSA-N 408.524 0.794 30 20 HCED C=CCN1CC[C@@H](N(C)[C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1=O 499994822 HKDCPDNWRORBQT-WMLDXEAASA-N 408.524 0.100 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 502263637 XZHPKPYPUFBCHU-OALUTQOASA-N 402.495 0.759 30 20 HCED Cc1ccn(C)c(=O)c1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 505160927 XPERLCKLQHJMIA-MRXNPFEDSA-N 407.430 0.816 30 20 HCED Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508414087 CQUQIFJAFFGSGQ-QGZVFWFLSA-N 416.507 0.985 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1Br 508994553 DWXUKFYWPQFVDJ-UHFFFAOYSA-N 418.045 0.906 30 20 HCED N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)c1 509143745 WAYKVPTYBLTAHH-KRWDZBQOSA-N 420.491 0.732 30 20 HCED N#Cc1ncn(CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 510618170 TVMMHCWFVJIUOR-UHFFFAOYSA-N 404.438 0.721 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cccc(F)c1I 537446973 MMHCCFRLNRTLGA-UHFFFAOYSA-N 405.167 0.787 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 537492419 OLDFKFBUQYYCHV-UHFFFAOYSA-N 409.508 0.904 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 539177293 HCYUZINQKVPBGY-IBGZPJMESA-N 420.539 0.772 30 20 HCED C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)NCCn3cnc(C#N)n3)c2)C1=O 554167330 HCSUHYUZUYFFDU-HXUWFJFHSA-N 422.449 0.874 30 20 HCED COC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 555070085 BSQBPAQNZVFEGM-UHFFFAOYSA-N 417.443 0.948 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 556385949 ATSJSROTQKYARO-UHFFFAOYSA-N 406.402 0.571 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)C1=O 557175751 BJXCXSCEATVXQO-VQTJNVASSA-N 412.534 0.913 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 559545342 XVCGECXWLMCPRE-UHFFFAOYSA-N 417.422 0.564 30 20 HCED Cn1cnc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccnc21 561602951 MGQCKWYIUYFVAF-UHFFFAOYSA-N 410.459 0.987 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 565919858 OEKCRIAFWDOMPT-SJORKVTESA-N 417.462 0.846 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 573024985 QZFMFFCVNAYKJH-KBPBESRZSA-N 409.450 0.841 30 20 HCED Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 574965056 FOKANOQSZPNIGR-OAHLLOKOSA-N 420.429 0.942 30 20 HCED CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 585761032 RYIGVHDPNUDZOB-MLGOLLRUSA-N 417.441 1.096 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 603669873 ITBFMOZQQOHXRD-QGZVFWFLSA-N 420.470 0.247 30 20 HCED Cc1oc(NC(=O)COC(=O)CNS(=O)(=O)c2cn(C)c(C)n2)c(C#N)c1C 727008164 XUNUTQFPPKZXBM-UHFFFAOYSA-N 409.424 0.270 30 20 HCED CNC(=O)[C@H](NC(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccccc1 727010260 SOGWRQSZAHAQQT-LJQANCHMSA-N 408.414 0.435 30 20 HCED CCCCCCC[C@@]1(C)NC(=O)N(NC(=S)NCCNS(C)(=O)=O)C1=O 727068139 ZPZFBNCCQMTSPG-OAHLLOKOSA-N 407.562 0.586 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)cc1 727750936 XKXCBYQAGQPLSM-SFHVURJKSA-N 419.503 0.452 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 728533965 VRJVFOHMEZVOPC-INIZCTEOSA-N 402.520 0.636 30 20 HCED COC(=O)NCC(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 729088782 HLTAMHBCIXBDDY-UHFFFAOYSA-N 402.363 0.266 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(N2CCCC2)CCOCC1 729441561 TZMFEIGXYRBWRI-UHFFFAOYSA-N 406.508 0.486 30 20 HCED C[C@@H]1Oc2ccccc2N(CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)C1=O 732908746 QLBZQBFYYLKEHH-KBPBESRZSA-N 419.459 0.156 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCn1cnc2ccccc2c1=O 735339432 LZKJQGASMKQMRM-UHFFFAOYSA-N 412.427 0.790 30 20 HCED C#CCSCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 739821380 LSOJOSFTLQOZLT-UHFFFAOYSA-N 411.549 0.870 30 20 HCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCC2CCN(CC#N)CC2)C1=O 742186919 WANYMWASEQQTOL-HXUWFJFHSA-N 401.442 0.944 30 20 HCED C[C@@H](CC(=O)NCCS(=O)(=O)C(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742672350 KDOWUZDJLSBCPR-LBPRGKRZSA-N 415.537 0.833 30 20 HCED O=c1c(C=NNC(=S)NCC(F)(F)F)c(N2CCOCC2)nc2ccccn12 746496737 NNVWRQQXOBBRMU-UHFFFAOYSA-N 414.413 0.891 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 747994011 VMWSJUHQNSKQMR-UHFFFAOYSA-N 412.490 0.758 30 20 HCED C#CCN1CCN(C(=O)CN(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 748810625 WUOPKEAWYWAWEV-LJQANCHMSA-N 419.547 0.462 30 20 HCED Cc1[nH]c2ccc(Cl)cc2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 752733825 GTUFLYRKNGIEGB-UHFFFAOYSA-N 409.855 0.840 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)cc(F)c2)c1=O 758079466 KDNOFMZNAOBTMG-UHFFFAOYSA-N 417.437 0.477 30 20 HCED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1F 759507310 YHMVVLNXRGDKNV-UHFFFAOYSA-N 419.438 0.804 30 20 HCED CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 770795812 YEADTOIRWAIVLX-CQSZACIVSA-N 411.422 0.733 30 20 HCED COC(=O)C[C@]1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCCOC1 771649517 LHXMIBSIWHGOJO-GOSISDBHSA-N 409.464 0.639 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21)[C@H]1CCCO1 773784146 AIJMTWQKZFRBJE-NVXWUHKLSA-N 405.476 0.171 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(N2CCCS2(=O)=O)c1)[C@@H]1CCCO1 773795722 KOKYSFBVWOJVPG-WBVHZDCISA-N 405.476 0.770 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 773945162 PYONDWJBHJIGJG-AWEZNQCLSA-N 423.491 0.525 30 20 HCED CC(C)(C)N(CCS(C)(=O)=O)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 776369185 AJGJGXHULVQISR-UHFFFAOYSA-N 401.510 0.397 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 780826844 COLYJENHHSUKQK-VRTBNJGNSA-N 422.445 0.879 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Oc2cc(/C=C\C(=O)OC)ccc2OC)C1=O 797311057 NPSBJKQSICGONT-VURMDHGXSA-N 402.359 0.764 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2Cl)c(=O)n1CCOC 797641321 REPVBFLZWZWWTQ-UHFFFAOYSA-N 407.879 0.467 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CSc1n[nH]c2nc(=NCC)nc(NCC)n12 798037060 VJAXGBSRIWKDPG-JSGCOSHPSA-N 420.543 0.994 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1)c1cc[nH]n1 800624120 JORKZWXABDCOQT-GFCCVEGCSA-N 400.457 0.119 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2c(C)cc(C)nc2OC)n1 804033351 BZJNUWHNLVBIOB-UHFFFAOYSA-N 413.478 0.828 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]32)n1 809527429 SMUQMWQKRMQDIX-IKGGRYGDSA-N 422.576 0.987 30 20 HCED NC(=O)CNC(=S)NN=Cc1cc(I)cc([N+](=O)[O-])c1 811642269 KONNBZLCFFRYEO-UHFFFAOYSA-N 407.193 0.483 30 20 HCED COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CCC(C#N)CC3)cn2)CC1 815537050 NLMOWRXBJOOEEP-UHFFFAOYSA-N 400.439 0.671 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(C)[C@H]3CCN(S(C)(=O)=O)C3)ccc2c1=O 816814856 DXTOAVCNRWISPO-ZDUSSCGKSA-N 422.532 0.977 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 854297807 XDTRPTAYZJMXSX-OAHLLOKOSA-N 420.487 0.971 30 20 HCED CCN=c1nc(NCC)n2c(SCC(=O)N[C@]3(C#N)CCSC3)n[nH]c2n1 917514507 SOJOYAQRNIMHDD-HNNXBMFYSA-N 407.529 0.412 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 919180832 INTKCFMUTZDYMV-QGPMSJSTSA-N 419.453 0.881 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cn(CCOC)nn1 996982546 JQXYTNQPBAUVAR-YONAWACDSA-N 403.483 0.767 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1nc(O)nc(O)c1OC 998610077 HEYIWLBVBRXRNH-BNDIWNMDSA-N 404.423 0.349 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1306260602 NSKOJVAYLYWSGP-MRXNPFEDSA-N 421.465 0.620 30 20 HCED COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1315784900 OKCSTTDOTJRVIW-ILXRZTDVSA-N 414.532 0.632 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)NCc1ccc(N2CCCC2=O)cc1 1319168444 JWRAHKGZTIZNRW-UHFFFAOYSA-N 403.464 0.681 30 20 HCED COc1c(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(C)nn1C 1320457998 ATALNFXGSWDNCH-ZDUSSCGKSA-N 417.447 0.467 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cnn(-c4ccc(O)nn4)c3C)CC2)c1C#N 1320670394 KOXLBVCXHNPYCP-UHFFFAOYSA-N 407.438 0.552 30 20 HCED CS(=O)(=O)CC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1451525193 NXYIYUJTZZUCNH-UHFFFAOYSA-N 413.521 0.446 30 20 HCED 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0.725 30 20 HCED CC(=O)NCC(=O)N1CCC(N2CCC(NC(=O)C#Cc3ccccc3)CC2)CC1 1834520548 GVRJBPHSYPEDII-UHFFFAOYSA-N 410.518 0.746 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(=O)oc4)CCO3)C2)c1 1834597062 UIAFFOFTJPGFJM-HXUWFJFHSA-N 412.402 0.223 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3n[nH]c4ccc(F)cc34)C2)C1 1834760782 KFUJRHMEMMJWQQ-LJQANCHMSA-N 401.398 0.686 30 20 HCED COC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096282 ZJPZFTKSTKDGQI-PGRDOPGGSA-N 400.475 0.777 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2)n1cccc1C=O 1835342085 JZGKLVXVZIYJEP-IIBYNOLFSA-N 414.462 0.622 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnoc4C4CC4)C3)C2)CC1 1835342765 PCRLQQLQQYJCRH-FQEVSTJZSA-N 400.435 0.926 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1835361135 BAMWXIFECLIOQD-OAQYLSRUSA-N 412.446 0.555 30 20 HCED C[C@H](CN)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc([C@@H](C)C#N)c3)C2)C1 1835536664 QURDQIMKIXXUNT-GSHUGGBRSA-N 414.506 0.978 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCNC3=N)CCO2)C1 1835636733 KSLUNRIPUBZMEN-DYESRHJHSA-N 419.526 0.051 30 20 HCED CC(C)(C)NCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674286 IHMQGAKCHRZIIF-NRFANRHFSA-N 423.558 0.113 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H]4Cc5ccccc5O4)CCO3)C2)CC1 1836648926 WZIYJNLGUGDYOQ-GCJKJVERSA-N 411.458 0.750 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ocnc3C)C2)C1 1837395084 OYRAKFGXUHUFGN-FOIQADDNSA-N 407.467 0.626 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)/C=N/N4CCCCC4)CCO3)C2)[nH]1 1837440774 XYWWIKPEUNROGK-CNSRZQHFSA-N 418.498 0.260 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@@]2(COCCN(C(=O)c3ccc[nH]3)C2)C1 1837531690 TWARTXVRTRWVMK-QRIYWZMZSA-N 420.466 0.614 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)c3nccs3)C2)C1 1837561457 MIPBSEMICLPJRI-DKLCPLSMSA-N 418.475 0.925 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cocn3)C2)C1 1837561551 SXGAVLHPZKPDOL-HBRDKIMXSA-N 402.407 0.457 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1839238474 OYCILEPEVWAEEY-UYAOXDASSA-N 424.567 0.980 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1839451851 RKKHUDDKNMKJCA-JOCHJYFZSA-N 423.473 0.833 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1)n1ccnn1 1839709796 SNHPXAVQLLUYJT-HRAATJIYSA-N 424.461 0.481 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)CNC(C)=O)C2)C1 1839838494 ITKPITWUSUMBBV-IIBYNOLFSA-N 409.527 0.817 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccnn3)C2)C1)C(F)(F)F 1839894770 QUAUGRYMZBDOIB-CZUORRHYSA-N 417.388 0.414 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(Cl)c3)C2)C1 1840159117 WQFKLBSMGFYWTM-PIGZYNQJSA-N 415.899 0.829 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(OC)c(O)c3)C2)C1 1840171190 UGQASDAKORPETJ-NRFANRHFSA-N 404.463 0.976 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840360300 YAFVFJOOXMBSPP-KRWDZBQOSA-N 413.425 0.336 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840601241 YYFPUVZPDAWGBG-VYHPPPRESA-N 406.479 0.752 30 20 HCED COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c1C 1840645222 JQEBTSYEKSOQDX-NRFANRHFSA-N 416.430 0.162 30 20 HCED Cc1nc(N)sc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c1cc(C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)ncn1 1844282140 FPFCHDOCRMSYQJ-UHFFFAOYSA-N 412.446 0.690 30 20 HCED CN1CCN(C2(C(=O)N3CCCC34CN(C(=O)C/N=C/c3ccco3)C4)CC2)CC1 1845102550 NBJJIRMNRXDMOK-OEAKJJBVSA-N 413.522 0.682 30 20 HCED N#Cc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H]3CCCS3(=O)=O)C2)cc1 1845910884 JGSCDRQIKCEYQR-KRWDZBQOSA-N 401.488 0.881 30 20 HCED C#CCCC(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)C1 1846217997 JXIWMDMQROPSAR-CVEARBPZSA-N 405.495 0.974 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C)C2 1846367737 NDXHOROGLNUWTF-IHRRRGAJSA-N 413.540 0.878 30 20 HCED CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 16634933 GOVMWKZJCMPIDS-UHFFFAOYSA-N 407.496 0.489 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)c2cc(C)n([C@@H]3CCS(=O)(=O)C3)c2C)c1=O 22284728 PSDGKQKYHWWODX-OAHLLOKOSA-N 418.475 0.562 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CC(=O)N(C)C)CC1 27543126 ACAUWZRJZITXBX-UHFFFAOYSA-N 418.542 0.657 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCC(=O)Nc1cc(OC)cc(OC)c1 409499960 MPBVMUCPYYQZFH-UHFFFAOYSA-N 400.457 0.339 30 20 HCED COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 426467725 KFQDLZBSUSDUQX-KRWDZBQOSA-N 402.842 0.862 30 20 HCED C=CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 428837568 FMPYPVIVSGJDCN-UHFFFAOYSA-N 421.479 0.829 30 20 HCED COC(=O)[C@@H]1CCCN2C(=O)N([C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C(=O)[C@@H]12 431597650 VMBOVEFDASFUJL-IXDOHACOSA-N 410.430 0.875 30 20 HCED CN(C)c1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 432413558 HRCSXNUPVGFWPI-UHFFFAOYSA-N 415.479 0.953 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)CN3CCN(C)C(=O)C3)c(C#N)c2N)cc1 436096929 GVASWPPXGFIXDZ-UHFFFAOYSA-N 409.494 0.457 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@]12CCCO2 460663524 SXKPIQFPHQWMHM-GCKMJXCFSA-N 424.461 1.229 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 460726585 MWJHBHFFBVDIGG-LBPRGKRZSA-N 407.438 1.505 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)cc1 461773424 FBEJYEJUXUNRQZ-UHFFFAOYSA-N 424.461 0.688 30 20 HCED CN(C)CCNS(=O)(=O)c1cccc(NC(=O)CNc2ccc(C#N)cn2)c1 462744044 GFHYLMAUKZILIP-UHFFFAOYSA-N 402.480 0.844 30 20 HCED CN(C)CCCN(CCC#N)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 467604926 ZUTUZBXWIVBXMI-UHFFFAOYSA-N 424.523 0.820 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)nc1 467995754 SHLUHLFLBYQLSF-KRWDZBQOSA-N 421.461 0.792 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c3OCCO4)CC2)c1C#N 472850315 BBALTHLIAFPJNQ-UHFFFAOYSA-N 410.434 0.659 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)n1 477892865 QZQYQLPBHVJUDQ-UHFFFAOYSA-N 415.454 0.429 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1nc2ncc(Br)cn2n1 478256351 VMRJDLWVNNKCGK-UHFFFAOYSA-N 408.260 0.575 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C 480219418 WRTJQEPDFBZJOM-UHFFFAOYSA-N 416.459 0.401 30 20 HCED CC(C)OCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482504526 IRDNLLOHIKUTCT-MRXNPFEDSA-N 408.524 0.794 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(N)ns3)CC2)c1 485085352 KSMNVYUJTFZHNH-UHFFFAOYSA-N 408.509 0.547 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](COCC2CC2)C1 485554039 YOHXRFIXJMZGOM-YOEHRIQHSA-N 407.492 0.879 30 20 HCED COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488276674 FNEOXWLEJIVISH-ROUUACIJSA-N 414.462 0.615 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2ncccc2C#N)c1 504717083 QAJLWJMIAKVHIW-DZGCQCFKSA-N 403.468 0.978 30 20 HCED N#Cc1ccc(CSCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 508366724 GGNQFLXGLXIKBS-IRXDYDNUSA-N 409.533 0.094 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)nn1CCC#N 508682024 WSARXDAQRSEQGB-GFCCVEGCSA-N 402.377 0.423 30 20 HCED Cn1cc(S(=O)(=O)NCCN2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 513978232 HWLJMRPESITMNW-ACJLOTCBSA-N 400.464 0.044 30 20 HCED CCN1C[C@H](C)N(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C 519722807 IATFNVUJOZNKTI-GJYPPUQNSA-N 411.506 0.716 30 20 HCED CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 522694571 OWVPNYCXRAINLO-JTQLQIEISA-N 402.379 0.248 30 20 HCED C=CCN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 533065173 AHGWPGGGTPIMGG-AWEZNQCLSA-N 401.510 0.338 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)cc1Cl 533323809 ARYUBXWWIPWKKX-UHFFFAOYSA-N 407.839 0.640 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCCO1 535331109 BBDYELDEKKCTMC-MRXNPFEDSA-N 424.482 0.725 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)cc1F 538748508 OGEGPSRXOWJPDB-UHFFFAOYSA-N 407.445 0.665 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CN(c2ccc(F)cc2)C1=O 542097870 GKHOAFUUYSOHOJ-SJCJKPOMSA-N 416.434 0.896 30 20 HCED COCCO[C@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 549292316 RWEYDMCWNVPYJA-KRWDZBQOSA-N 412.450 0.791 30 20 HCED C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 552455693 DODLJPHKBCAWAS-ZBFHGGJFSA-N 415.469 0.909 30 20 HCED CC(C)N=c1[nH]c(N2CCN(c3ccc(C#N)cc3F)CC2)nc(=NCCO)[nH]1 553046192 YRRWQIAECHXYRK-UHFFFAOYSA-N 400.462 0.277 30 20 HCED N#CCCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 553610681 VXEWMADKFIHTMN-MRXNPFEDSA-N 415.498 0.208 30 20 HCED CCCN(CC#CCN(CCC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 556494534 CYMFWZHRNVHFBN-QZTJIDSGSA-N 404.598 0.788 30 20 HCED CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 559881502 YXFSHUNMBHSBMC-LLVKDONJSA-N 400.254 0.905 30 20 HCED N#Cc1ccc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)nc1 561082864 BYPICGDXXNUDRX-INIZCTEOSA-N 415.475 1.149 30 20 HCED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)o1 561343347 YVFSADWLOGMZHW-UHFFFAOYSA-N 403.482 0.403 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 561722490 NJBGHYLNCPOMPT-QGZVFWFLSA-N 415.537 0.760 30 20 HCED CCn1ncnc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 571794960 XZXMFAOGQRSDOG-UHFFFAOYSA-N 401.858 0.788 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)cnc21 577457282 AOQDSHJYNMTGFG-KSSFIOAISA-N 419.463 0.650 30 20 HCED C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)Oc1cccc(F)c1 578788830 LKYBXLVJTRCVIV-LBPRGKRZSA-N 402.430 0.977 30 20 HCED COc1cc(F)ccc1N1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588128730 IGPGNQDQLJNWEI-UHFFFAOYSA-N 403.458 0.587 30 20 HCED Cn1cc(S(=O)(=O)NCCN2CCN(c3oc(C4CC4)nc3C#N)CC2)cn1 610389828 AEQDKYLMUNZWJA-UHFFFAOYSA-N 405.484 0.258 30 20 HCED COCCN(CC(=O)N(C)Cc1cnn(C)c1)S(=O)(=O)c1ccc(C#N)cc1 610480903 CXIHWHONIHBCKR-UHFFFAOYSA-N 405.480 0.587 30 20 HCED COCc1cc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ncn1 611359486 SCPCYECEEKUIGO-UHFFFAOYSA-N 411.422 0.647 30 20 HCED N#Cc1ccc(Br)c(CN2C(=O)N[C@H](CC(=O)N3CCOCC3)C2=O)c1 617192538 MTEJOVXZFPCSSM-CQSZACIVSA-N 421.251 0.990 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCNS(C)(=O)=O 730601228 RFUXRZYBPNLIIR-SFHVURJKSA-N 407.448 0.244 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 731123046 BLMMRVBERSIRHK-UHFFFAOYSA-N 422.489 0.756 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 739720430 OYVNIGWOGMCACO-IAGOWNOFSA-N 406.527 0.964 30 20 HCED C#CCCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 742788133 LDRIMUPCMOPFBS-HNNXBMFYSA-N 420.940 0.951 30 20 HCED C[C@@H](CC(=O)NCCN1CCC(N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748746339 LKCBROZYWIPPID-HNNXBMFYSA-N 421.567 0.646 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCCNC2=O)CC1 748956340 JDWDPEPGFBRWEA-UHFFFAOYSA-N 405.480 0.131 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)cc1C#N 752402351 IKQAPRMPAZBOIZ-HNNXBMFYSA-N 400.395 0.648 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CCOC 753359326 OUCVXORYBMWUOY-GFCCVEGCSA-N 417.487 0.789 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccn(CC(F)F)n2)C1 755543361 BODIYMZRNQCIJJ-MNOVXSKESA-N 412.397 0.962 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2C(=O)OC)CC1 758319672 SMFQXBABQJCSLJ-UHFFFAOYSA-N 411.455 0.058 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 761022648 BPZVECVTUHFCAE-LBPRGKRZSA-N 402.879 0.891 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 761031371 QUOMFBGOCHUFOB-UHFFFAOYSA-N 420.579 0.728 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](OCc2ccccn2)C1 761753313 OWIIDMUSSUERQA-OAHLLOKOSA-N 400.460 0.938 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CCN(C)CC1 763461408 ZDSKXLOYSHKQBZ-UHFFFAOYSA-N 413.547 0.543 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nc(O)c2cnn(C)c2n1 767681846 SJRPILWHMPPSTM-JTQLQIEISA-N 416.419 0.351 30 20 HCED COC(=O)c1cccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 768520184 HLQVLGDSCBQSRR-UHFFFAOYSA-N 401.444 0.871 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771579668 SEQXLAPPLWTYGF-ZBEGNZNMSA-N 407.224 0.671 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NC2(C#N)CCC2)cc1 784181306 IVFBMGKYPNMHFG-UHFFFAOYSA-N 423.447 0.247 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)Nc1ccc(F)cc1OCC#N)C2 786116930 DUACQGHNBZQOJU-UHFFFAOYSA-N 417.401 0.222 30 20 HCED COc1c(F)cc(CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1S(N)(=O)=O 787640651 FMCISAZDLMHVEI-JTQLQIEISA-N 413.427 0.518 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O 787754040 APTPWFMRHBUDNV-QGZVFWFLSA-N 406.446 0.399 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3)n1 789787437 JTGBJGWWLGUZBY-UHFFFAOYSA-N 411.418 0.461 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccccc2-n2ccnn2)n1 789788707 NPGYRGZPCBTUGC-UHFFFAOYSA-N 407.434 0.711 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccnc2-c2cnn(C)c2)n1 789789126 PPHUOOHMICVDLD-UHFFFAOYSA-N 421.461 0.926 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 790360607 KUZHUAUGILYMCG-UHFFFAOYSA-N 415.899 0.413 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)n1 793902781 SILBJFVNZUIERS-ROUUACIJSA-N 403.527 0.728 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC(F)F 796472477 CWOQECTXRIICEU-GFCCVEGCSA-N 416.450 0.781 30 20 HCED C#CCC[C@H](O)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 799081141 HEYVZMOGYBKZSB-HOTGVXAUSA-N 414.911 0.764 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCCO1 803753092 WIRGHSXMUDHHOM-VQTJNVASSA-N 414.506 0.230 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCCC4(C3)OCCO4)C2=O)cc1 808169688 DLNJDDGNSZYTRZ-QGZVFWFLSA-N 412.446 0.535 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccs2)c1=O 838159940 CBBOGRJYSWJLGB-GFCCVEGCSA-N 407.517 0.272 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc([N+](=O)[O-])cn3C)CC2)o1 915381632 BMFRJYYDQSDVGI-UHFFFAOYSA-N 402.367 0.607 30 20 HCED Cc1ccn2c(=O)cc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)nc2c1 916607299 DVIXQMXTLFMAFF-UHFFFAOYSA-N 412.427 0.896 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCC#N)CC2)C[C@H](C)O1 919813956 VKATVRODPKGNJD-HOTGVXAUSA-N 422.507 0.701 30 20 HCED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1184837813 WLYIVGASPQBTKT-OAHLLOKOSA-N 401.485 0.499 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1256712642 QWMNIWWCXRXBQX-DOTOQJQBSA-N 406.483 0.944 30 20 HCED COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCOC2)c1 1299952129 LUEMTFUMMWQDAU-YLJYHZDGSA-N 415.450 0.842 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)C1 1302979115 OBFRNDNQUFLKOQ-CXAGYDPISA-N 410.475 0.148 30 20 HCED O=C(C=NOCC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1ccccc1Br 1317726004 FVZJIPCLUMWDTC-SNVBAGLBSA-N 418.269 0.693 30 20 HCED COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1320210092 LJSJIPBFGYUVDE-INMHGKMJSA-N 413.430 0.864 30 20 HCED NC(=O)c1ccc(CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1322226482 URNXCUAQHYSBLF-VZCXRCSSSA-N 411.462 0.346 30 20 HCED N#Cc1sc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)nc1Cl 1324730990 XIKPBMWPFYSZCZ-ZETCQYMHSA-N 401.857 0.772 30 20 HCED COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1461022300 NQUVMUNJRZKYKM-MRXNPFEDSA-N 412.450 0.431 30 20 HCED CCNC(=O)C(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1502368861 SKGQNXOCYJVLJY-QWHCGFSZSA-N 413.548 0.789 30 20 HCED CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1552385091 ZZFLLVTWDJVGFY-SFHVURJKSA-N 423.543 0.583 30 20 HCED Cc1cnc(OC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1583151253 JAKKGCUZECNFOS-UHFFFAOYSA-N 415.475 0.894 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)CC1 1640588457 KIWYFJDWZMNGBB-UHFFFAOYSA-N 421.475 0.626 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)CCC(C)(C)S(C)(=O)=O)C1 1662687497 PLMNURAPIYQLOD-QWHCGFSZSA-N 423.557 0.878 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CCCO1 1706871134 NBGWBYVQRFLQPO-APHBMKBZSA-N 400.480 0.899 30 20 HCED CC(C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1706872048 VRJCTSPBBAYCMJ-MAZHCROVSA-N 402.496 0.737 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1760374099 IJKOLGVVCDKLGD-ZDUSSCGKSA-N 416.891 0.988 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1760691801 RWCVDEAKWWPOSE-CYBMUJFWSA-N 405.484 0.271 30 20 HCED CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1763905987 JPPVLTYJVNFWHN-JYJNAYRXSA-N 410.544 0.639 30 20 HCED CC[C@@H](NC(N)=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](S)C(C)C)C2 1777983926 SJRVPKVEPKVPNJ-BKEDOTJMSA-N 414.572 0.902 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779034841 JKUKGTBAGCRPNY-LJQANCHMSA-N 412.556 0.283 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1779062225 HJLIVHUIANOFFO-JOCHJYFZSA-N 413.474 0.929 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1779240976 QCXLRJYTBJAGNA-FOIQADDNSA-N 411.499 0.873 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccnc(Br)c3)C2)C1 1779403843 SXGWFCUWOUUDRF-QGZVFWFLSA-N 422.235 0.376 30 20 HCED Cc1cc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(C)n1C 1779972756 ODRLNWXXQBKNQT-DYESRHJHSA-N 401.463 0.857 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2c[nH]c(=O)cn2)C1 1780121908 IAXYIGUYZYOMMC-GCKMJXCFSA-N 418.494 0.471 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4cnc5[nH]ncc5c4)CCO3)C2)c1 1780334722 KPGFHPCNVHBDIS-HXUWFJFHSA-N 405.418 0.915 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)CSCC(=O)O)CCO3)C2)c1 1780598083 IKKHPHZIHLJVRM-IBGZPJMESA-N 403.460 0.820 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)C1 1780779901 RTPMGBFSDJAUFT-GCKMJXCFSA-N 423.510 0.409 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781389406 TUOHSBFKTXIWJJ-JDSYDOCNSA-N 406.483 0.476 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(CN(C(=O)CCC(N)=O)CCO4)C3)c2c1 1782198419 RIIYOVWMXSIUPV-FQEVSTJZSA-N 410.434 0.144 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@@]2(CCN(C(=O)COc3ccc(O)nn3)C2)C1 1782673806 UOGRMPGQUJJYOG-JOCHJYFZSA-N 422.441 0.443 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1)n1ccnn1 1782765467 YIUWQJBDWCAZFB-SNMHHBGFSA-N 400.439 0.381 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)NC(=O)NCC)CCO2)C1 1783197793 SLMRRTSFLCYXSQ-DYVFJYSZSA-N 402.442 0.735 30 20 HCED CCOC(=O)[C@@H]1CCC[C@H](C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)C1 1783558202 PVSUMELZJHVURN-MRUHUIDDSA-N 420.462 0.274 30 20 HCED Cc1ccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1783558216 QAYOVNOSPUBEJY-NRFANRHFSA-N 402.422 0.985 30 20 HCED COC(=O)C12CC(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)C(C)(C)C#N)[C@H]4C3)(C1)C2 1783684961 IHCXICQHPNVDDA-DYDXAHRQSA-N 403.479 0.859 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCO[C@@]2(CCN(C(=O)CCn3ccnn3)C2)C1 1784536517 WBHLCGFBCXABGW-OAQYLSRUSA-N 424.461 0.449 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 1785213969 CDIXSQQZLKKZFB-OHFALNGGSA-N 421.454 0.362 30 20 HCED O=C(Cc1ncccn1)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785422890 MVEMKKCXDNPFMX-DZJNWNRZSA-N 411.462 0.711 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1785446317 DQNPWSSZLVMVIP-OXQOHEQNSA-N 401.467 0.635 30 20 HCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CN)C[C@@H]32)c(C(F)(F)F)n1 1787198952 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PAYDFNOXIZHTPW-UHFFFAOYSA-N 404.430 0.801 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC3(CCCN3C(=O)C[C@@](C)(O)CC(=O)O)C2)c1 1846381872 OPNWTHNBEIFDQP-HXUWFJFHSA-N 415.446 1.000 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCCC3=O)CC2)cc1 10453778 IXKVYQGUXWIYCI-UHFFFAOYSA-N 404.492 0.794 30 20 HCED CCn1cnnc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 46964719 SSNYQWFVBALQSP-UHFFFAOYSA-N 403.468 0.386 30 20 HCED CCS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 52111212 SUMSKVITJZXJFU-UHFFFAOYSA-N 402.480 0.650 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1=O 410112387 CNZRAJQHNQTDEC-QGZVFWFLSA-N 406.508 0.728 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1C(F)(F)F 437350263 WLQPGBQCBVZRKY-NSHDSACASA-N 404.370 0.795 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccs3)CC2)nc1 438148267 FFHMUTSHDMGPJL-UHFFFAOYSA-N 420.520 0.825 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 441149207 PRRNESTYGGMWKU-ROUUACIJSA-N 410.478 0.734 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 443081587 WBVAYOTXVIFPMN-OAHLLOKOSA-N 408.436 0.868 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 465201707 ZBABSSZPUQSGDR-CQSZACIVSA-N 415.479 0.149 30 20 HCED N#C[C@@H]1N(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CCC[C@@]12CCCCO2 468631812 MWKYZIDVTZLIAU-LQWHRVPQSA-N 404.511 0.621 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(C(F)(F)F)cn2)C1=O 472197770 USVVQMPIBRGSEJ-UHFFFAOYSA-N 400.313 0.572 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)CCN1CCN(C)CC1 474791465 IGVZDIKXTVASIG-CVEARBPZSA-N 407.540 0.367 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480296592 XHKYFGJVYVTNMP-UHFFFAOYSA-N 414.443 0.200 30 20 HCED CCOC(=O)CN1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481288444 QHKQZTZTQYLIEC-OAHLLOKOSA-N 422.507 0.322 30 20 HCED CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOCC1 482863370 UASCHLZHEASIAF-YOEHRIQHSA-N 422.507 0.225 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC(N(C)C)CC2)cc1 484359119 URPLBISUSQTUNQ-UHFFFAOYSA-N 401.511 0.683 30 20 HCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CSCC#N)CC1 486108795 VKPCBIFCFMSOIQ-UHFFFAOYSA-N 415.493 0.773 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)NCCCO)CC1 490084967 DYXXLJRLBRGBGQ-UHFFFAOYSA-N 402.451 0.633 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 490654297 UQCVSXZTXSPDPQ-UHFFFAOYSA-N 421.479 0.860 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 491260460 VPHDKVGECRLCSH-UHFFFAOYSA-N 413.478 0.346 30 20 HCED C[C@@H](CS(C)(=O)=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 499221191 DDWHLJUSDJUSNQ-ZDUSSCGKSA-N 413.521 0.508 30 20 HCED CCO[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 502230709 LBABHEYERXCLDJ-MOPGFXCFSA-N 400.479 0.513 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 502293216 SBUYNXIBEKZSRC-CEXWTWQISA-N 400.479 0.533 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccsc1 505635483 KIPIBEGYALOSJB-UHFFFAOYSA-N 411.512 0.808 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCSC 505664518 SBCHKYLXAJWWTI-UHFFFAOYSA-N 419.576 0.734 30 20 HCED CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 506716752 DQMPIZJWVSONJU-CYBMUJFWSA-N 410.500 0.331 30 20 HCED COCCCn1cnnc1SCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 507328219 SNPUTKODQMAUCS-UHFFFAOYSA-N 405.484 0.924 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C(=O)NCCOC)c1 508788104 BYJSLLANJQOSDC-HNNXBMFYSA-N 416.521 0.427 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCO[C@@H](C#N)C2)CC1 514313236 JIRIDRATEGBKTO-INIZCTEOSA-N 407.496 0.057 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C3CCN(S(N)(=O)=O)CC3)C2)c(F)c1 517582209 JELSJIIDZVLTJR-OAHLLOKOSA-N 409.487 0.698 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 523860867 KAYTVMUYNUDPLF-UHFFFAOYSA-N 423.523 0.809 30 20 HCED COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 532498273 SRSVQAKUJSMMIA-HOCLYGCPSA-N 423.491 0.796 30 20 HCED COC(=O)C1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 541974376 FWPAXWMPGJFVCM-CYBMUJFWSA-N 409.464 0.311 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1C 551064558 GYPVEIZUTCGRSP-CQSZACIVSA-N 412.406 0.250 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CCN1Cc1ccccc1 554266059 VSNUEUVAPFJUQI-HKUYNNGSSA-N 409.490 0.350 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCOCC2)CCN1Cc1ccccc1 559833686 DFKPDIUAGMDVML-HXUWFJFHSA-N 413.522 0.452 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(=O)c2ccc(C#N)cc2)[C@@H](C)O)cc1 568425656 QTKBJRYBTMMTEH-KUHUBIRLSA-N 415.471 0.894 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(N3CCOCC3)n2)cc1 570208392 IAESVZPLNQFHBE-UHFFFAOYSA-N 415.475 0.385 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 580221875 SDDSINGVJFEWBR-DOTOQJQBSA-N 417.485 0.619 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 580252207 QWSJUBMBTMASQF-IAGOWNOFSA-N 407.492 0.615 30 20 HCED C[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(-n2cncn2)cc1 585690007 KTUVVRVQUFDFGG-ZDUSSCGKSA-N 421.465 0.713 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC=C 603792270 XYGXOGKRXCRNEC-UHFFFAOYSA-N 409.467 0.688 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 609093810 ASNZPFGUJAWTEZ-WMZOPIPTSA-N 418.519 0.679 30 20 HCED COCCNS(=O)(=O)c1ccc(CNC(=O)NC2CCN(CC#N)CC2)cc1 609338080 PPJHTKRHZWHQSM-UHFFFAOYSA-N 409.512 0.398 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 617134488 CJPRACSMODNDCN-GOSISDBHSA-N 409.512 0.796 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1=O 619839645 NXFDRLMSYOLZHH-UHFFFAOYSA-N 409.402 0.959 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)NCC#CCO)C(C)C)c1 670447638 LMMPDHNRPVBSMV-SFHVURJKSA-N 423.535 0.583 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCc3ccccn3)c2=O)cn1 726182266 MVPWGVSSJFWJBA-UHFFFAOYSA-N 420.498 0.063 30 20 HCED CO[C@@H](C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 726724444 PYPSMLHCGBITKC-JEEMYIIMSA-N 410.496 0.979 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 728532727 IJLQKFVUHGMERR-RTBURBONSA-N 412.534 0.803 30 20 HCED CCN1CCN(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733162878 VUKOSXFWAVKEPQ-UHFFFAOYSA-N 407.540 0.259 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCN(c3cccc(F)c3)C2=O)C1=O 734587650 PYFCBFHEGQBZCE-AWEZNQCLSA-N 403.366 0.841 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cn(C)c(=O)n(C)c1=O 735150040 NBTJGEMGNUJLHJ-ZDUSSCGKSA-N 414.418 0.585 30 20 HCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 743443639 VPNMQBXQNPFJRG-CYBMUJFWSA-N 406.464 0.992 30 20 HCED Cn1ccc(N2CCC[C@@H](OC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2=O)n1 744496268 ZICWFGBZTQQRJX-CYBMUJFWSA-N 417.447 0.197 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 745442473 VXFVRAABNINWQM-ORIIPUBOSA-N 417.443 0.722 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)CC1 747816751 ULJQELHEIAAVCL-SFHVURJKSA-N 416.566 0.945 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@](C)(Cc3ccc4c(c3)OCO4)C2=O)CC1 749874082 KCQYUMNOIFFUMC-OAQYLSRUSA-N 412.446 0.046 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1C#N 752382624 QVTKMSLCYPSXHP-ZDUSSCGKSA-N 408.436 0.711 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 755495210 XDABYBQLYMLBRQ-OAHLLOKOSA-N 422.507 0.929 30 20 HCED CCN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 756730920 VHSDIKFYLSOEHA-UHFFFAOYSA-N 406.508 0.976 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2sccc2OC)c1=O 758051919 ZEPSLAMQGSBOFO-LBPRGKRZSA-N 417.512 0.267 30 20 HCED CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758586326 RNQIQIZRRHGNNY-UHFFFAOYSA-N 409.515 0.707 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 761024782 PKPTYMMRSFIRIH-KRWDZBQOSA-N 403.508 0.407 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 761030744 LOLMLPSRPSFBFQ-IBGZPJMESA-N 404.536 0.608 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 765426278 QCCBYQJOJNUNBE-UHFFFAOYSA-N 400.464 0.480 30 20 HCED CCOC1CC(CNC(=O)NCCNc2ncccc2C#N)(N2CCOCC2)C1 767895757 JVGPRPRXYYYKOR-UHFFFAOYSA-N 402.499 0.934 30 20 HCED CNC(=O)Cn1nc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1C 767998344 HPIUSUMARYNPFO-UHFFFAOYSA-N 404.452 0.005 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 783480037 OFTKJOLHEPRTGG-MRXNPFEDSA-N 417.487 0.475 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[C@H]1CCCO1 788042053 WZSWNUPPHSZORB-LEWJYISDSA-N 412.534 0.920 30 20 HCED C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 792746337 LKJIWOMYIXYVTC-ZWHOUUFJSA-N 422.532 0.682 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 796180951 QVKSMUUXXRAZRV-UHFFFAOYSA-N 418.295 0.994 30 20 HCED C#CCN1CCN(C(=O)CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CC1 796383598 LSMHQLPNGKUEPG-QHCPKHFHSA-N 409.578 0.656 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 798633047 QFCJRCDOVYLKAD-IRXDYDNUSA-N 412.446 0.866 30 20 HCED CCOC(=O)C1=C(COC(=O)[C@@H](C)n2cnc(C#N)n2)NC(=O)N[C@@H]1c1ccco1 798748592 YRPMRQWJTPKNEE-MEBBXXQBSA-N 414.378 0.718 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2COC(=O)NCCCC)C1=O 804231091 HGKCNXZTQRXDQK-CQSZACIVSA-N 408.455 0.871 30 20 HCED C[C@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NCCN1CCOCC1 805968507 HDWLLYRHSCMYQA-RDJZCZTQSA-N 418.469 0.904 30 20 HCED C#CCN1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 809398170 SCRADONYLJFURC-LJQANCHMSA-N 421.519 0.605 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 813731100 QTHOFZPMTHBNHS-OAHLLOKOSA-N 409.468 0.425 30 20 HCED COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)cc1 813984240 QWNUDTGEMQGZMQ-ZDUSSCGKSA-N 400.416 0.820 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CCOC 917769227 XJIYSNOBMCXDFA-UHFFFAOYSA-N 417.535 0.537 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1CCOC 917770180 GMNDHTOSEWLICT-UHFFFAOYSA-N 411.483 0.296 30 20 HCED CN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918237173 MHOPGBRVENKHEI-LTGZKZEYSA-N 409.512 0.506 30 20 HCED C=CCNC(=O)CN1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1099585467 VCXXKHDZENXIKC-SGTQZHETSA-N 403.523 0.699 30 20 HCED C=CCNC(=O)NC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]1c1cncn1C 1109732062 ZPWRANAZDJETLD-SUJAAXHWSA-N 400.483 0.257 30 20 HCED CC(C)CC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1116288334 LKMOMAHMTREZBY-OAHLLOKOSA-N 406.508 0.942 30 20 HCED CCn1nncc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1131523678 JKAJIXBWEFOCEI-UHFFFAOYSA-N 402.480 0.887 30 20 HCED C[C@H](CC(=O)N1CCO[C@H](c2ccnn2C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1179371673 MLGZZUFHEFYVAZ-CJNGLKHVSA-N 417.491 0.837 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1286970747 XTGQONXDZKPHDC-CVEARBPZSA-N 424.571 0.887 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2=O)cc1 1321530296 HXQGXLASFFDNGJ-GOSISDBHSA-N 409.490 0.678 30 20 HCED CNS(=O)(=O)c1cccc2c1CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1325970762 RFOFVVQFNYPBAE-VHEBQXMUSA-N 418.475 0.396 30 20 HCED N#C[C@H](C(=O)c1ccc(CN2CCCCC2=O)cc1)C(=O)N1CCS(=O)(=O)CC1 1342561160 RVLMWHACEJUAHS-QGZVFWFLSA-N 417.487 0.779 30 20 HCED Cc1c(NC(=O)[C@H](C#N)C(=O)CCN2C(=O)CCC2=O)c(=O)n(-c2ccccc2)n1C 1347063391 JQUXPORKRCLRQY-OAHLLOKOSA-N 423.429 0.671 30 20 HCED Cn1cc(C(=O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1456577083 MDDJKHUTRQBGEH-UHFFFAOYSA-N 415.475 0.692 30 20 HCED CCCN1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1500918241 POPBCDASYCQVLW-DLBZAZTESA-N 401.515 0.975 30 20 HCED C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(C)(=O)=O 1507775183 WCMKLNLOQPKAEH-UHFFFAOYSA-N 420.333 0.904 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1517601997 ZZVXBTDWNUHFKL-FQEVSTJZSA-N 411.466 0.567 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(=O)NC1CC1 1545929113 QQCDJAJKOBCQQM-INIZCTEOSA-N 417.514 0.984 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1554350128 PDGXETZCLZMGLX-AWEZNQCLSA-N 404.496 0.837 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1COCCO1 1611674078 VNMQMEDITUJELY-DZGCQCFKSA-N 412.516 0.434 30 20 HCED CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033956 LRJUOMLCKSIADQ-RDTXWAMCSA-N 423.473 0.936 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F 1654615663 NUZIFYZGMWBLEM-SNVBAGLBSA-N 418.410 0.821 30 20 HCED CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1695435780 MBTSCQBKXRRMNB-UHFFFAOYSA-N 410.482 0.804 30 20 HCED Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cnn1C 1724133791 RTTMEEPABHNVOH-SUMWQHHRSA-N 407.475 0.712 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cc2cnc[nH]2)C1 1777992803 NAOPDYWWBLZPDC-DYESRHJHSA-N 418.494 0.976 30 20 HCED 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419.478 0.228 30 20 HCED CNc1nsnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]21 1783523804 YISYTFRURMHCMO-XUXIUFHCSA-N 424.527 0.974 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1783680884 NJJLEZILSDMAKR-YDHLFZDLSA-N 405.430 0.925 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cnnn3)C[C@@H]21 1784494024 MLSZHSYJQBRQNF-QZWWFDLISA-N 406.487 0.197 30 20 HCED C[C@@H](C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1)n1cnnn1 1784604167 YAKTVZFDDYRMRY-DJJJIMSYSA-N 413.413 0.389 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785383442 ONJXFUJVRFOUDX-JOCHJYFZSA-N 423.473 0.972 30 20 HCED CS(=O)(=O)Cc1ncccc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC#N)C[C@@H]21 1785684569 JPRINTKHHWVDEW-QRTARXTBSA-N 420.491 0.133 30 20 HCED Cc1nnsc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786858032 AINXHKGYXIOVHL-KKUMJFAQSA-N 420.539 0.722 30 20 HCED CC[C@@H](NC(N)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 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CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443296017 KXQCWZPTUHVJID-NSHDSACASA-N 420.369 0.545 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1 446511482 HVZSTVWCZBXTJR-CQSZACIVSA-N 409.464 0.292 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 448425584 KZCUYTLMBOEJGD-VFCRVFHLSA-N 424.461 1.181 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 448487899 MRPZVQICXQSESQ-UHFFFAOYSA-N 409.494 0.599 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2=O)n(C)n1 466237696 ASHHMROHZSUZBY-INIZCTEOSA-N 408.466 0.632 30 20 HCED C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCC1CCN(CC#N)CC1 472209012 AGBYILMUXVBQMO-QGZVFWFLSA-N 400.401 0.970 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C(=O)OCC)CC2)cc1 473619033 BTGOSGXZFGCONG-UHFFFAOYSA-N 423.491 0.891 30 20 HCED COCCCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481507180 FLQXKQMQWHKUMV-OAHLLOKOSA-N 408.524 0.842 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)C(=O)OC 481761431 JAOMAPXFDGXSHL-CYBMUJFWSA-N 400.453 0.847 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 481974758 DCQLQXQFKLCLAI-LBPRGKRZSA-N 416.528 0.907 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1 483596555 XTOLJSXJJQUQHG-OCCSQVGLSA-N 414.509 0.918 30 20 HCED CCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2cccc(F)c2)c1=O 489100320 JNXPUDCPLGCSOZ-OAHLLOKOSA-N 401.463 0.867 30 20 HCED C=CCCOCCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 499258856 DVXOPXXECZTQAL-HOTGVXAUSA-N 401.463 0.731 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC3C[C@@H]4CCC[C@H](C3)N4C)CC2)c1C#N 507927460 KLLGFCJQZGLTJZ-ALOPSCKCSA-N 413.526 0.380 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNC(=O)c3ccco3)C2)C1=O 513504700 DWUPGOAPEIOPDI-ZDUSSCGKSA-N 402.407 0.225 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)c1 515725653 SMTLJZLSDJGCMZ-OAHLLOKOSA-N 416.521 0.427 30 20 HCED COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 518076653 MVFONNWYGWENCX-UHFFFAOYSA-N 423.429 0.792 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 527367372 ZJXBNDRBTLEGNK-UHFFFAOYSA-N 410.478 0.975 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 530707388 CJMNUKXRJSUNNE-UHFFFAOYSA-N 414.466 0.818 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)ccc1[N+](=O)[O-] 536116017 YYGQVZFCROXONO-UHFFFAOYSA-N 414.443 0.489 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 539688337 DGOAWNMXXNMTAA-UHFFFAOYSA-N 414.418 0.262 30 20 HCED COC(=O)COc1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 548042344 JXLPWRIJOOLFFW-UHFFFAOYSA-N 421.435 0.471 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 549376483 MRNXADAMHGEBTQ-UHFFFAOYSA-N 406.464 0.532 30 20 HCED CCCc1c(NC(=O)C(=O)N2CC(=O)N(CCOC)C2)cnn1-c1cccc(C#N)c1 549763324 NWWRTIIUOCRERD-UHFFFAOYSA-N 424.461 0.910 30 20 HCED CC[C@H](C(=O)OC)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 552946708 XOROBHSGLLIDIF-QGZVFWFLSA-N 407.492 0.569 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(F)c2F)c1=O 557456229 FQLUIPHZNPJGHD-UHFFFAOYSA-N 405.426 0.640 30 20 HCED CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 560293385 DWUGEFGIPMLPDX-FQEVSTJZSA-N 420.517 0.891 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 561647921 VVNKTYXHMJXVDB-ZDUSSCGKSA-N 406.443 1.429 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 570960357 PCRZFHRPGWEWNH-MRXNPFEDSA-N 411.462 0.831 30 20 HCED C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 574325266 DAOSRPONGLFMFP-NWDGAFQWSA-N 404.452 0.357 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 575908270 OWJKZBICYVUYMB-MUUNZHRXSA-N 402.520 0.620 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3csc(N(C)C)n3)CC2)c1C#N 588325364 HOACUIYTZZZZPM-UHFFFAOYSA-N 416.511 0.088 30 20 HCED Cc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1S(=O)(=O)NCC#N 608868122 AMZQQZSHRACRSG-UHFFFAOYSA-N 402.432 0.913 30 20 HCED CCN1C(=O)[C@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCN2C1=O 611564619 KRWLXTCWXWOTNX-DLBZAZTESA-N 424.461 0.732 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](n3cncn3)C2)cc1 681625195 OJJYFEHDIIMOFL-OAHLLOKOSA-N 418.479 0.497 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)CC1 731192037 OENPOMCQQGZBLU-UHFFFAOYSA-N 418.860 0.875 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C(C)C)c3)c2=O)cn1 732796258 BCNGRTBITOFIIT-UHFFFAOYSA-N 411.491 0.142 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(Br)c2)CC1 735923986 YWOJYRNIGKWMCR-UHFFFAOYSA-N 414.325 0.895 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C1CC1 743726818 VGMPDHVYELXOHQ-UHFFFAOYSA-N 404.517 0.665 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 745813883 SDODOTYQUANJPS-XXUBLBQESA-N 423.473 0.969 30 20 HCED Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746363137 LUJYJCPDPHALGA-UHFFFAOYSA-N 423.477 0.745 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccs2)[C@H](C#N)C1 749519862 CAAIHIYTPSDCEO-GFCCVEGCSA-N 414.509 0.998 30 20 HCED N#C[C@H](Cc1ccccc1)OC(=O)CNS(=O)(=O)c1ccc2c(c1)nnn2O 750064675 YUZLGHZUKDWALM-ZDUSSCGKSA-N 401.404 0.625 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)OCc2nc(CC(=O)NC)no2)ccc1F 750328008 LVYBSGVTPAJPEG-UHFFFAOYSA-N 412.399 0.319 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC)s2)c(=O)n1CCOC 752194347 OAYYBWMUHMWZHT-UHFFFAOYSA-N 420.560 0.994 30 20 HCED Cc1ccc(S(=O)(=O)NCCNc2cccc(S(N)(=O)=O)c2C#N)s1 755026569 LVSRCSGWTKGHQL-UHFFFAOYSA-N 400.507 0.966 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1=O 755538865 VPMZRBVUSBCOTR-OCCSQVGLSA-N 403.439 0.682 30 20 HCED COCC(=O)N(C)CC(=O)[C@@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 759218372 XYOMEBJBSRKXTC-SNVBAGLBSA-N 406.351 0.118 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)ccc1OC 760118816 UBUPGMZFAHFVBB-KBPBESRZSA-N 401.423 0.822 30 20 HCED COC(=O)N1CC(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 771756487 UWXNBULJKGALPA-AWEZNQCLSA-N 408.480 0.707 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3nn(C)cc3[N+](=O)[O-])CC2)o1 772059758 KAKXTPIRYFZLCA-UHFFFAOYSA-N 403.355 0.002 30 20 HCED C#CCN1CCC(C(=O)OCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 772112888 BTDKMQOOBVQJLK-AWEZNQCLSA-N 419.503 0.500 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(CCO)CCOC1 773060290 WVKMSAHCFNPQAN-IBGZPJMESA-N 409.508 0.943 30 20 HCED C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCO1 775337744 CIQIWYDTSDUIEL-BSWAZPDLSA-N 412.895 0.761 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 783479012 IAVRUXVNRCSYQD-CYBMUJFWSA-N 408.432 0.069 30 20 HCED CC(C)(C#N)CC(=O)OCC(=O)N1CCN(C(=O)COC(=O)CC(C)(C)C#N)CC1 785097791 YCAAIIDWSDFFSK-UHFFFAOYSA-N 420.466 0.623 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 785719522 NTHYHOQKEHFYOX-IRXDYDNUSA-N 402.451 0.627 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OCC)c1 789458298 LCIVJTYXXCDPGI-SFHVURJKSA-N 415.471 0.897 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 793043301 JENNIHFKKDJHAE-LBPRGKRZSA-N 404.286 0.876 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(N)n[nH]1 820018719 KCGRUSNBLHOCHS-GFCCVEGCSA-N 405.484 0.199 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)NCCOC)c1 913343442 JBIUJDDVVVXZTM-GFCCVEGCSA-N 413.452 0.168 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2)c1=O 916200202 YNNBPBJWGDIFKQ-UHFFFAOYSA-N 417.462 0.057 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 918729720 HQALFXMFYKRBKT-UHFFFAOYSA-N 416.846 0.407 30 20 HCED C=CCNC(=O)[C@@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919667452 VZAOZXCAOMYBDS-HIFRSBDPSA-N 417.443 0.635 30 20 HCED N#C[C@@H](C(=O)NCc1ccccc1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 1122707712 MYZAARINMKPRFU-MRXNPFEDSA-N 404.434 0.761 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1301966731 YBTKTAXLNFLJKV-QKKBWIMNSA-N 423.477 0.939 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)CC1 1321445819 KDRRHHCWDGIAGK-UHFFFAOYSA-N 420.491 0.618 30 20 HCED C=CCN1CC[C@H](N(C)Cn2nc(C[C@H]3CCS(=O)(=O)C3)n(C)c2=S)C1=O 1327011995 DVRVGCQFYHKKOH-KGLIPLIRSA-N 413.569 0.604 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1360240085 ASSHSHYMHMEPHT-OXQOHEQNSA-N 401.515 0.754 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N(C)C 1360653131 MBIIKNBOVVZOJP-CYBMUJFWSA-N 419.511 0.485 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1 1445960691 MVJUPGUGKNYPFB-HOTGVXAUSA-N 411.505 0.405 30 20 HCED C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1449503503 TVOZEWUIXSXHEG-CQSZACIVSA-N 412.537 0.853 30 20 HCED CCCN1CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1500918245 POPBCDASYCQVLW-SJORKVTESA-N 401.515 0.975 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C 1608405956 QHYPBEJKDYYQKH-INIZCTEOSA-N 415.495 0.186 30 20 HCED N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)nc1 1635891027 XEJLNFDTBZPGSG-UHFFFAOYSA-N 414.491 0.815 30 20 HCED N#Cc1cn(CCC(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)c(=O)nc1O 1638734276 ZNBSLQCSJVRKNM-UHFFFAOYSA-N 401.354 0.809 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1696954771 UREPQKKZGBKUGZ-UHFFFAOYSA-N 405.466 0.956 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN2CCCS2(=O)=O)CCO1 1731190911 VEASIXWLPKJQND-MRXNPFEDSA-N 402.480 0.709 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1751095106 UAZGNGJLUPVMIC-MGPQQGTHSA-N 415.541 0.353 30 20 HCED C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1761366792 INVZIDVFYPLMQZ-ZDUSSCGKSA-N 404.496 0.952 30 20 HCED CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1769161045 YUKGDWBJGZOTAG-SFTDATJTSA-N 410.478 0.931 30 20 HCED 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CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1839223443 VPZOIUSHNQZVEW-FUHIMQAGSA-N 410.515 0.338 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1840160466 HYIDKKWJGYDFRX-APPDUMDISA-N 412.537 0.804 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCC)cn3)C2)C1 1840166780 CJYOCKKTUZTMAG-NRFANRHFSA-N 416.478 0.749 30 20 HCED Cc1cc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1F 1840708376 FCLVNFHANBXFAG-FQEVSTJZSA-N 422.384 0.431 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)Cn1ccnn1)C2 1841746419 JVTYAOZXWWONPK-HNNXBMFYSA-N 418.498 0.951 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)C[C@H]2NC(=O)NC2=O)C1 1841960344 SLEFIKGDZZNKFM-OAHLLOKOSA-N 418.570 0.839 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@@H](N)C(N)=O)C2)c(O)n1 1842944354 QHWTUEUKPHCKDP-MRXNPFEDSA-N 415.494 0.316 30 20 HCED N#Cc1ccc(C(=O)N2CCCC23CN(C(=O)Cn2cnnn2)C3)c(C(F)(F)F)n1 1843168989 KQWIOVHVCLDMTH-UHFFFAOYSA-N 420.355 0.476 30 20 HCED COc1cnc(C(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)cn1 1844299797 SEAYZDWOQXHPAA-CBVHTYNASA-N 403.439 0.831 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cn2c(nc1=O)SCC2 1847812839 AEQAMOSXOPQGEH-BPUTZDHNSA-N 418.519 0.684 30 20 HCED COc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 14143315 OTEAUNAXQCZZEW-UHFFFAOYSA-N 404.452 0.972 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)nc1 52548697 LNXMNVZBORAUBA-UHFFFAOYSA-N 400.464 0.632 30 20 HCED CCOc1ccc(C[C@@H](CNS(=O)(=O)N2CCO[C@H](C#N)C2)C(=O)OC)cc1 409584425 KOUCDVIHUIOXGN-DOTOQJQBSA-N 411.480 0.476 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 438944531 DOSBBFZGUMSNLJ-UXOAXIEHSA-N 423.403 0.580 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N2CCCN(c3ccccc3C#N)CC2)n1 439589860 QVDQPYBLQWOVED-UHFFFAOYSA-N 410.478 1.469 30 20 HCED COc1ccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1OCC(N)=O 442240319 GEWQDINMKNPACW-UHFFFAOYSA-N 424.413 0.659 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 442278232 AWGMRWXLRSUFKC-UHFFFAOYSA-N 401.467 0.564 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 443475816 MVHVWFQRYXTHOM-DLBZAZTESA-N 412.537 0.580 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(CCN(C)C2=O)CC1 445255758 FIPWMQQYWJZKCK-AWEZNQCLSA-N 404.492 0.696 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]2CCCO2)n1 448387465 OGVPKAXHTYWNNW-ZFWWWQNUSA-N 403.826 0.992 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 464945330 DKCFDTKFOBOPJS-AWEZNQCLSA-N 409.516 0.240 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)[nH]c21 468111208 PYIIOUAYPJCOMZ-BUXKBTBVSA-N 400.439 0.749 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](O)C(=O)OC 478075640 AFEYTIHLFRNUKV-NSHDSACASA-N 401.213 0.748 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cc1 479470148 JZYOMHFHHHROSU-UHFFFAOYSA-N 420.491 0.745 30 20 HCED COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)c1 479494519 BXGZTZMYHDASLO-UHFFFAOYSA-N 408.461 0.881 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480180651 JVBNEGKVNXUVPR-UHFFFAOYSA-N 411.483 0.873 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)cc2C)CC1 491171316 KAFNYLDBNPZCNI-UHFFFAOYSA-N 413.522 0.980 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)C1=O 504814369 RRGOARSCZOBKMW-UHFFFAOYSA-N 404.398 0.978 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](NC(=O)NC)C1 508507362 HLZZZOUIYGNIJB-CYBMUJFWSA-N 418.527 0.932 30 20 HCED N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 512432086 CTIZWBZVFYQBOA-INIZCTEOSA-N 420.311 0.590 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)C1=O 514837328 MFXMFDOZQKVTOG-OAHLLOKOSA-N 413.434 0.269 30 20 HCED C[C@H]1CN(C(=O)c2ccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)C[C@@H](C)O1 516366550 UHRHJRVKGMMZHI-OKILXGFUSA-N 411.462 0.817 30 20 HCED CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@H](C#N)C1 520691173 DLDUKNJDGMOYHT-JSGCOSHPSA-N 401.485 0.977 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 532622121 BYXQYFJXWBHFSH-SNRMKQJTSA-N 420.535 0.985 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)cc1 532706546 XEELTKPEUYCUDM-GOSISDBHSA-N 421.567 0.652 30 20 HCED CC1(C)C(=O)NCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 532976524 GMKQKGNPGXWECM-UHFFFAOYSA-N 412.450 0.665 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)n(CCC#N)n1 533322396 LYGJBHTUSBFSOE-OAQYLSRUSA-N 410.478 0.797 30 20 HCED CC[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC(=O)N1 544465155 SWCPMODWIXEAPM-HZPDHXFCSA-N 404.492 0.696 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(N)c3)CC2)cc1 547385976 SMSMLULZDPEPJQ-UHFFFAOYSA-N 406.489 0.836 30 20 HCED C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549656494 JNEBJTREFYRLPX-DZGCQCFKSA-N 403.443 0.772 30 20 HCED N#Cc1cccc(C2(NC(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)c1 551775796 MNANNQRAULSXSO-UHFFFAOYSA-N 408.462 0.831 30 20 HCED CN(CCC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 553898403 KIBGSZRERBQQEL-GFCCVEGCSA-N 420.413 0.990 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](n4cc(Cl)cn4)C3)n2)cc1 558548049 DTKIGMSPAHFARR-MRXNPFEDSA-N 424.852 1.460 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 560678616 JUJSCMCBSFVEPS-UHFFFAOYSA-N 416.547 0.755 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)cc2)ccn1 565277792 XTMMCYKVGBNTHW-UHFFFAOYSA-N 407.386 0.949 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 566684436 MQNGIFCMYOAXGD-HUUCEWRRSA-N 410.492 0.712 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)N2CCN(CC(=O)NCCOC)CC2)cc1 605412484 XCSAAWPJTOEVJN-UHFFFAOYSA-N 403.483 0.515 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 610596923 VRGPWDCZQFTFIL-QRWLVFNGSA-N 411.466 0.505 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCN3CCCC3)CC2)cc1 610774368 ITYOYMSPVBNORK-UHFFFAOYSA-N 419.551 0.732 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)C1=O 726042937 PMQLOCSAIZDQPL-AIEDFZFUSA-N 405.451 0.836 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)OC)CC1 728530357 AJWBQEPLOGZKFS-HNNXBMFYSA-N 403.504 0.847 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[S@](C)=O)nnc12 730103174 ZBKSFKFWVZNYHD-MHZLTWQESA-N 405.505 0.817 30 20 HCED C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C)CC1 733977508 MXURAQJEHRLACT-OAHLLOKOSA-N 407.540 0.257 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)c3cc(C#N)c[nH]3)C2)CC1 748375579 LEEJQRXGFRKFFI-UHFFFAOYSA-N 423.495 0.593 30 20 HCED COC(=O)c1cccc(COC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1C#N 756205905 OJGSZKRCYJVWOR-LLVKDONJSA-N 406.420 0.489 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cccc3c2OCO3)c1=O 758060857 PLPWFLOOUMKCAI-UHFFFAOYSA-N 421.478 0.834 30 20 HCED N#Cc1cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)ccc1F 758695374 RZPGPFLOGBTHHX-HNNXBMFYSA-N 401.485 0.332 30 20 HCED N#CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 760396381 BRUDKZIQIVXTCF-UHFFFAOYSA-N 404.448 0.794 30 20 HCED NC(=O)c1n[nH]c2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc12 760447266 SNLZPQSQNKTMSB-UHFFFAOYSA-N 412.431 0.729 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761027582 YVWXUIOYPMZAAE-UHFFFAOYSA-N 400.432 0.454 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCO)cc2)cc1 765455949 RVVMDEDWADBXHK-UHFFFAOYSA-N 401.444 0.573 30 20 HCED COC(=O)[C@@H](CC(F)(F)F)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 765841317 OEEIHMROIANMAF-SNVBAGLBSA-N 407.370 0.725 30 20 HCED Cn1c(N)c(C(=O)COC(=O)C(C)(C)Oc2ccc(C#N)cc2)c(=O)n(C)c1=O 767635836 ZPVUNJHVFOUISU-UHFFFAOYSA-N 400.391 0.121 30 20 HCED CCCOc1ccc2[nH]cc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)c2c1 768368411 XZYSXNQMUDXDRH-UHFFFAOYSA-N 419.463 0.667 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccccc2N)c1 774381918 VLHWHKNYZVOXAV-UHFFFAOYSA-N 400.460 0.626 30 20 HCED C#CCOCCNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776905158 BETMHXAABAETNW-MRXNPFEDSA-N 408.499 0.890 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 783014487 UTTSSNHHDWBGLF-UHFFFAOYSA-N 419.500 0.442 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 783347999 PYLDCKYWIFNBGF-UHFFFAOYSA-N 417.509 0.029 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OC)cc1OC)[C@H]1CCS(=O)(=O)C1 783479013 IAVRUXVNRCSYQD-ZDUSSCGKSA-N 408.432 0.069 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(COC)n2)c1 785332440 KOAGEMKKLWNONL-OAHLLOKOSA-N 400.391 0.767 30 20 HCED CN(CC(=O)NCC#N)Cc1cccc(Br)c1OCCS(C)(=O)=O 785527872 AQVUTPOBKQXUGN-UHFFFAOYSA-N 418.313 0.944 30 20 HCED Cc1nc(Cn2nnc(C(=O)OC3(C#N)CN(C(=O)OC(C)(C)C)C3)c2C)no1 786499913 NMVRSOMHQCEXNJ-UHFFFAOYSA-N 403.399 0.996 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 794647389 PEIGMTPUXYWYLB-OAHLLOKOSA-N 423.450 0.950 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2ccnc(C#N)c2)c(O)nc1=O 795966026 FSQIZPHHAOPLCO-UHFFFAOYSA-N 414.422 0.808 30 20 HCED CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NCCn1cnc(C#N)n1)=NO2 804620778 VMHQBHWTZJPANO-UHFFFAOYSA-N 403.443 0.812 30 20 HCED COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 805229244 UKXRIROTVQDWMN-OLZOCXBDSA-N 414.422 0.657 30 20 HCED C#CCSCCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806911103 UOMAEERCGVPGRS-CABCVRRESA-N 401.488 0.505 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 807375853 IHACLHFORPFLKP-ZIAGYGMSSA-N 408.480 0.846 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)CC1(C)OCCO1 807418429 VMBREFOMJSJNTO-HNNXBMFYSA-N 401.467 0.507 30 20 HCED C#Cc1ccccc1CC(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 811259648 DTGFMBUSYMPVFN-RTBURBONSA-N 419.499 0.948 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1)Cn1cc2c(c(C#N)c1=O)CCC2 814231456 XSVUKXWHDUTGAC-UHFFFAOYSA-N 402.476 0.824 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 897714105 PQCXWCQHCUCUIN-OLZOCXBDSA-N 417.418 0.754 30 20 HCED C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)nn1 994434591 QDWCJQOFYZWDEF-KCYAQADSSA-N 403.483 0.340 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnc(O)n(C)c1=O 999099694 QDWXFFLWUTURTP-WOOFSFRISA-N 402.451 0.329 30 20 HCED CNS(=O)(=O)C1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 1261235567 ZILYPNUMEVPGHF-AWEZNQCLSA-N 403.464 0.525 30 20 HCED CN1CCN([C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)c2cccs2)CC1 1292949976 YLUFVVKSQKBQQN-HNNXBMFYSA-N 416.507 0.377 30 20 HCED N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1303013504 RRWFWWZVRAGLAT-CVEARBPZSA-N 409.512 0.726 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)C1 1316531736 KMUVPMWZFUXMHO-KDOFPFPSSA-N 424.502 0.810 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)NC2CC2)C1 1323978192 TWKDIRLXUOOTDK-DZGCQCFKSA-N 404.492 0.742 30 20 HCED Cc1nc(C)c(CN/C(=N/CCCN2CCOCC2)NCCn2cncn2)s1 1338380522 DIMZWQWFVSRWPR-UHFFFAOYSA-N 406.560 0.809 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCOCC2)CC1 1454251398 JKYBYYMKIPSFCA-UHFFFAOYSA-N 406.508 0.438 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1505322191 KIUHJWDDBROXIN-CABCVRRESA-N 402.480 0.894 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(S(C)(=O)=O)CC1 1510151852 PNOHIRJZWROROD-RYUDHWBXSA-N 418.545 0.204 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1512583215 QLVPORNYSSMDJN-SAKMYQHLSA-N 423.539 0.850 30 20 HCED COC(=O)N1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1517699804 IOSMLSMISBLGAZ-CVEARBPZSA-N 404.471 0.989 30 20 HCED CN1CCN(CCCS(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)CC1 1621610692 UFSGPKJBXSJHHG-HXUWFJFHSA-N 405.568 0.836 30 20 HCED N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CCCCC1 1664279257 XJMQOZOTXCACHY-UHFFFAOYSA-N 401.514 0.520 30 20 HCED CC(C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc2c(c1)OCCO2 1677862073 IGNHVUVVNCOMLS-UHFFFAOYSA-N 413.434 0.869 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3snnc3C)C2)C1 1837397348 VCDKONISMJRJMX-IFXJQAMLSA-N 424.523 0.490 30 20 HCED CC(C)O[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1837594759 FBPUPKRJAABTHH-UWJYYQICSA-N 424.542 0.538 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1ccccc1=O 1837680352 IIQOUMSAOYAJHM-HTAPYJJXSA-N 413.474 0.279 30 20 HCED Cc1nc(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)o1 1838005441 BYVJUQKTKQPLOG-FQEVSTJZSA-N 413.434 0.875 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccn(C(F)F)n4)CCO3)C2)CC1 1838032727 KATSKNOCAXOKTM-GOSISDBHSA-N 409.393 0.652 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)nc3)CCO2)C1 1838645525 ISBKSBCIXSAQFV-YWZLYKJASA-N 405.451 0.448 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C)[nH]n1)CCO2 1838655974 MIFNXNUMYHFKCT-FQEVSTJZSA-N 406.483 0.771 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cscn4)C3)C2)c1 1838734837 MWJRAVAOEFCCNL-GOSISDBHSA-N 401.448 0.727 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C3(CNC(=O)OC(C)(C)C)CC3)C2)C1 1839805519 KQQUIZJQBSWYOD-OAQYLSRUSA-N 421.494 0.381 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1839808360 OPOFAJVJZDIHTG-LJQANCHMSA-N 406.822 0.772 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4sccn4c3)C2)C1 1840041977 SVRPKKKROWGPHF-IBGZPJMESA-N 417.443 0.159 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840161402 NUQPHPFHKZTRQG-KPZWWZAWSA-N 405.480 0.346 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1840175318 KWWARTUVYCVJEK-NRFANRHFSA-N 417.510 0.365 30 20 HCED COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1840235787 NWVZISHWQFQWJM-HXUWFJFHSA-N 409.483 0.870 30 20 HCED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2)C(=O)O 1842952852 ZGJXCKHHYGEOIS-KRWDZBQOSA-N 414.462 0.375 30 20 HCED CN[C@H](CC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1)C(=O)O 1843418106 JFJHGUPTCFDGLS-URWSZGRFSA-N 405.476 0.753 30 20 HCED CC(=O)OC[C@H](OC(C)=O)C(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844259392 KGFRLFDPBVJSAV-RYFGYPJOSA-N 422.482 0.156 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)C[C@@H]2NC(=O)NC2=O)C3)c1 1846827341 YXCSBLFETIKRQG-CJNGLKHVSA-N 409.446 0.729 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nc(OC)ccc1[N+](=O)[O-] 1847801312 JUMPRPVVKMGCOW-IHRRRGAJSA-N 402.407 0.852 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 10673394 GPRCXNXWYYGSLR-RTWAWAEBSA-N 412.446 0.978 30 20 HCED N#Cc1c(CCCNC(=O)N[C@H]2CCS(=O)(=O)C2)nn(-c2ccccc2)c1N 42871918 RWECBVSXTGEBSY-ZDUSSCGKSA-N 402.480 0.745 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnn(C)c2)cc1 147645395 UXKYCFBKUATDBX-CJLVFECKSA-N 418.479 0.488 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 430391347 GJCKJNUKVYTIDF-KGLIPLIRSA-N 407.496 0.813 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1 430403535 OQBKKOXIASXQLA-FXAWDEMLSA-N 414.506 0.867 30 20 HCED C=CCN(C(=O)c1c(I)cnn1C)[C@H]1CCS(=O)(=O)C1 431383415 DOLRYSWIXPIPKI-VIFPVBQESA-N 409.249 0.840 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cn1 433482765 BAGDGQQPDXQJTB-AWEZNQCLSA-N 412.427 0.639 30 20 HCED COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)[C@@H](C)CC#N 439327200 RMYKTNNZGQHHPU-AWEZNQCLSA-N 401.467 0.782 30 20 HCED N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 443025541 NKKDMWZBCNHITR-UHFFFAOYSA-N 424.866 0.194 30 20 HCED CN(CC(=O)NC1CC1)c1cc(C#N)c([N+](=O)[O-])c(N(C)CC(=O)NC2CC2)c1 461465537 WXFTZELIACCWOP-UHFFFAOYSA-N 400.439 0.896 30 20 HCED CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)cc1C#N 462419740 KKLILWLEPGWYAZ-LBPRGKRZSA-N 405.885 0.135 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 473388879 MDWRPMOTNIXPIC-LJQANCHMSA-N 411.506 0.718 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 481536564 DRBQVJUSNQVBQI-BBRMVZONSA-N 412.471 0.916 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 490412578 UZIHYVKVGOZBQX-AWEZNQCLSA-N 419.457 0.321 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cscn2)c1=O 497572529 BSJLEESWGYJMOI-ZDUSSCGKSA-N 404.517 0.575 30 20 HCED C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 499012576 IJFNSAHAYPTNTI-CYBMUJFWSA-N 404.448 0.593 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 507624999 DOYAZCBFCNOCDM-INIZCTEOSA-N 408.524 0.997 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCCOC1 511657911 HIWOQFNIQYMBPX-FRFSOERESA-N 423.491 0.700 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC[C@@H](C)C#N)CC2)cc1 520360453 QMHYZUUWLJKNLM-INIZCTEOSA-N 406.508 0.884 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)[nH]c21 522177895 LUEGQOQJRKQBGX-HNNXBMFYSA-N 421.461 0.704 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 523059138 ZORSEUQKFYTXEC-UHFFFAOYSA-N 401.345 0.727 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCNc2nccc(C(F)(F)F)n2)C1=O 523399294 NESVLZKTZIMTAJ-UHFFFAOYSA-N 400.317 0.000 30 20 HCED COCCN(C(=O)CN(CC#N)C1CCCC1)c1c(O)nc(=O)n(CC(C)C)c1N 524595065 ANODFSPJYXQLDH-UHFFFAOYSA-N 420.514 0.935 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCN(C(=O)C(C)C)CC3)CC2)o1 532955012 NAKZEVXMMUEOLH-UHFFFAOYSA-N 402.499 0.694 30 20 HCED CCOCCOCc1cccc(CNC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c1 534977833 ZZMZGQIIPUDENG-UHFFFAOYSA-N 400.435 0.288 30 20 HCED Cn1c(=O)c2cc(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)n(C)c2n(C)c1=O 536548434 FQHCEOGEOVFHFT-UHFFFAOYSA-N 417.429 0.767 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)n2)c(Cl)c1 541146391 TVTKQJSODYJPQH-UHFFFAOYSA-N 407.839 0.593 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)Nc3cccnc3)n2)c(F)c1 541146628 VNIUSKWNAWUGSQ-UHFFFAOYSA-N 407.365 0.971 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 551109491 UCHWSFCBAWSLJU-UHFFFAOYSA-N 406.446 0.278 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1 557520173 YSCKVPOJDWQJHF-STQMWFEESA-N 424.483 0.525 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3cc(C(N)=O)no3)C2)c(F)c1 558041098 KVLBOXHPJKAKHT-LBPRGKRZSA-N 414.397 0.186 30 20 HCED C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1)n1cnc(C#N)n1 561082717 HAXJOXSCRDTLHK-JSGCOSHPSA-N 404.452 0.495 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)NC3CCCCC3)CC2)nc1 561779854 SNJKODSXRLDIFQ-UHFFFAOYSA-N 419.551 0.793 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 577237205 OMCCOCBNFVFURQ-GFCCVEGCSA-N 424.885 0.397 30 20 HCED CN(CCn1cc(Br)cn1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 580495024 NLLGBJGYMIRRPD-UHFFFAOYSA-N 422.287 1.566 30 20 HCED CCC1(CO)CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588868396 LGQBWPKRDYFSSH-GOSISDBHSA-N 412.490 0.786 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC(=O)N3CCOCC3)cn2)c1 611462088 ZZBMHYXOLONDTJ-UHFFFAOYSA-N 409.402 0.659 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)C1=O 623226675 XTDJETREGMQXSN-UHFFFAOYSA-N 424.410 0.281 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CC)c2)c1=O 732563059 QJHVACHABKQCEF-UHFFFAOYSA-N 403.508 0.190 30 20 HCED CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(CC)c3)c2=O)c1 732563336 UZKUPSXAQRUVIP-UHFFFAOYSA-N 407.499 0.927 30 20 HCED Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)nc2c1c(=O)n(C)c(=O)n2C 738854589 HWCRYXJMOHMRBZ-GFCCVEGCSA-N 421.413 0.996 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 746569120 VDCQWEFDEYMCQA-UHFFFAOYSA-N 412.427 0.568 30 20 HCED COC(=O)[C@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)c1cccc(C#N)c1 751622766 GCAKCFKEJBPOAJ-CQSZACIVSA-N 402.388 0.285 30 20 HCED C[C@H](CC(=O)N(CCS(C)(=O)=O)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 753747654 IGDJVYJENULYTR-GFCCVEGCSA-N 413.521 0.539 30 20 HCED COCCN(C(=O)CON=C(N)c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 754278874 ZSPKPNFQXJXCRQ-MRXNPFEDSA-N 412.512 0.052 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CO)CC2CC2)c1 755076777 VYBPSRSMXSGZMY-AKKXKAEUSA-N 422.507 0.715 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 755494110 SQSRWDRGUPHHED-HDOZFUISSA-N 408.480 0.491 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 756890391 JLVRWDYLYLVYIZ-FCQYYXGDSA-N 405.455 0.630 30 20 HCED C[C@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCN1S(C)(=O)=O 758768585 IOAIUHWIAYPKLR-BFHYXJOUSA-N 415.516 0.421 30 20 HCED CCOC(=O)[C@H]1CSCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 764761219 LBFDGKKTKNNEBR-SWLSCSKDSA-N 411.505 0.732 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21)c1cc[nH]n1 772358148 JHCFJBWLAKFOHP-KBPBESRZSA-N 412.468 0.262 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1nc2cccc(C(=O)OC)c2[nH]1)c1cc[nH]n1 772438693 TUHOROGKRTYSAV-UHFFFAOYSA-N 414.378 0.995 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(c2cccnn2)CC1)c1cc[nH]n1 772655473 FUVMUOZCNAYDFI-UHFFFAOYSA-N 401.427 0.269 30 20 HCED C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCCO1 773219112 KSYFHZNQKKBKMW-SJORKVTESA-N 421.523 0.013 30 20 HCED C#C[C@H](NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)[C@H]1CCCO1 775759703 HHHCHGUXDBRYED-JKSUJKDBSA-N 413.434 0.869 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H]1CCCO1 775795664 PDVHRLBCGWSMNN-UXHICEINSA-N 419.547 0.907 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCCCO)CC2)CC1 775989724 PKZYIURLQBOWNL-GOSISDBHSA-N 405.568 0.847 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)C2=O)n(C)n1 780062362 ZMYCUDIGLCEART-HIFRSBDPSA-N 410.434 0.880 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780209425 JDIXYPLHOGZSFS-QGZVFWFLSA-N 403.416 0.729 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 783481445 XPZNESOVCQGYPQ-OAHLLOKOSA-N 407.492 0.344 30 20 HCED C#CCOCCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 784593159 XGHOAERRNBNWFE-UHFFFAOYSA-N 419.459 0.341 30 20 HCED N#Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c[nH]1 786906354 IVZJXPZQVQOLJJ-UHFFFAOYSA-N 418.431 0.703 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787055949 HYXREBCUKUMDDX-INIZCTEOSA-N 422.463 0.982 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)CCNS(=O)(=O)c2ccccc2F)n1 788820221 UHPAUHVLIPTSMO-UHFFFAOYSA-N 422.482 0.999 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1nc[nH]n1)c1ccccc1 793873679 GLMUVQNZWHZHPP-OAHLLOKOSA-N 410.459 0.943 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C(C)C)c1=O 794581887 RJKXVNCTBRLMOM-UHFFFAOYSA-N 401.492 0.115 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2cscc2Br)c1=O 795193869 IFTDRWXRWBVJEN-UHFFFAOYSA-N 423.317 0.849 30 20 HCED CCOC(=O)C(C)(C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 798637296 MJTLYXWAGGNDOF-LBPRGKRZSA-N 410.448 0.927 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(CC#N)C3CC3)ccc2F)CC1 800868995 UOGKLOWPGZMEEH-UHFFFAOYSA-N 408.455 0.807 30 20 HCED 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URSHEMXSOHHWIA-OAQYLSRUSA-N 401.463 0.998 30 20 HCED COc1cc(C)c(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1OC 1834765177 NGCCGHAGRNYCLB-NRFANRHFSA-N 417.462 0.996 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3csnn3)C2)C1 1835095772 COWKLHLBKRBXLH-HXUWFJFHSA-N 412.471 0.660 30 20 HCED CN(C)CC(=O)N1CCC(N2CCC(NC(=O)C/N=C/c3ccco3)CC2)CC1 1835778142 YYIVMXCKPFAWMZ-HYARGMPZSA-N 403.527 0.832 30 20 HCED CCc1noc(C)c1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1835963513 WMCPDGKZZFVSKB-UHFFFAOYSA-N 416.478 0.819 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837393664 YOARSDYWZOXVQX-YRNRMSPPSA-N 414.568 0.970 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1 1837660157 IBCXBUHKCDSGJX-VGSWGCGISA-N 421.538 0.961 30 20 HCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)c3cnc(O)nc3O)CC2)CC1 1837793761 QWWPNSBQAKHEGT-UHFFFAOYSA-N 403.439 0.804 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837839263 CEIXTHQYNVMVII-BDJLRTHQSA-N 400.888 0.518 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnc4)C3)C2)c1 1838906242 AQPPTHLGUBUXTP-NRFANRHFSA-N 409.446 0.525 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1)CCO2 1839037391 JSKMLSXGIKVNRY-QVKFZJNVSA-N 417.437 0.034 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncccn3)C2)C1 1839223645 BUDLRVJQLVMWNZ-KXBFYZLASA-N 405.455 0.348 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 1839805183 FAEHACWPHPSRJG-IBGZPJMESA-N 421.837 0.880 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCc4cccc(OC)c4C3)C2)C1 1839810211 LDELLSGVCSMPGF-MBSDFSHPSA-N 412.486 0.890 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1 1840166079 UDBRJUZVVARSHE-DHSIGJKJSA-N 401.529 0.066 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)Cc2cc(Br)ccc2O)C1 1845150382 QQABLTQNYDPARC-UHFFFAOYSA-N 421.247 0.989 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)ON=C(C)C)C1 1845251821 QCHPLZASSQDVLJ-KBPBESRZSA-N 402.517 0.319 30 20 HCED Cn1c(=O)ccn(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1=O 30900072 MUMHWXBEHSPMFY-UHFFFAOYSA-N 410.390 0.015 30 20 HCED Cc1cc(CN2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)no1 106259134 HLKQTUBKWABOCJ-UHFFFAOYSA-N 413.482 0.618 30 20 HCED CN/C(=N/CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)NCCN1CCOCC1 303969150 BNEOMDIJODTCFT-UHFFFAOYSA-N 422.961 0.486 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)n1 442372889 IWNGGJUIDFSADN-CJNGLKHVSA-N 424.436 1.339 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccnc1OCC(F)F 446521309 IHSUTSXGJCUAJX-UHFFFAOYSA-N 411.409 0.738 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCCSCc2ccccc2C#N)cn1 465326355 NFLWODWUHPUUSZ-UHFFFAOYSA-N 414.491 0.831 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc(-n2cnnn2)c1 465503999 PBWXQPDCLWCQFQ-ZDUSSCGKSA-N 411.451 0.223 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 468752474 ABFMCXRUNYQEDC-GFCCVEGCSA-N 418.449 0.745 30 20 HCED CN1C(=O)CO[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1c1cnn(C)c1 471134635 XFSKWMUQOPAOJQ-DLBZAZTESA-N 406.406 0.409 30 20 HCED COC(=O)c1cn(C2CN(C(=O)[C@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2)nn1 476195921 GXTWXEIWQUKFEE-QGZVFWFLSA-N 408.418 0.511 30 20 HCED Cc1ccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 484032832 JCYPCGLTLJHZEV-KRWDZBQOSA-N 420.535 0.981 30 20 HCED COCCO[C@@H]1COCC[C@@H]1NC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 486456982 OIDUSFOOFWTFST-IZQPOCBFSA-N 414.462 0.862 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)ccc1OCC(F)(F)F 503278655 VJUGFJHLFDNLSE-UHFFFAOYSA-N 413.312 0.106 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc(CC(N)=O)cc3)C2=O)cc1 505163641 BKEWQZPKQJKNIS-GOSISDBHSA-N 419.441 0.836 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)n1 508326239 PVZQUKBOFIPRKW-UHFFFAOYSA-N 420.220 0.792 30 20 HCED C=CCn1c(CCC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 508999109 GBVUQPPVTUTBKJ-UHFFFAOYSA-N 404.515 0.560 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C1CC1 514913765 MCYHFHRIPSSWPN-UHFFFAOYSA-N 405.426 0.789 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 516407208 YAJAJUJEBQRDGL-UHFFFAOYSA-N 410.434 0.661 30 20 HCED COC(=O)Cn1ncc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C 527259594 CBFPZQOOWCICDT-LLVKDONJSA-N 405.436 0.542 30 20 HCED Cc1cc(NC(=O)C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)n(CCC#N)n1 533615455 DOHXSGIFELJHTB-UHFFFAOYSA-N 408.418 0.798 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n(CCC#N)n1 535570439 VSQAWBGGMWKUSM-MSOLQXFVSA-N 410.478 0.795 30 20 HCED CC#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 544581724 OVFAAXAEJUCSRA-UHFFFAOYSA-N 421.519 0.687 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)nn1 545498434 LBUVXTKSEBTVDA-HNNXBMFYSA-N 406.406 0.791 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COCCOC)C1 549274713 QVCLABBCCCCOCL-CABCVRRESA-N 401.533 0.954 30 20 HCED Cn1cnn(CCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1=O 549720305 JJXGVWQMSBVEJC-UHFFFAOYSA-N 412.429 0.500 30 20 HCED CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 551429851 KINNPOXJUVAECL-AWEZNQCLSA-N 414.443 0.975 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)NCC(=O)NCC#N)c1 558222657 SCLPEWLCKWRZSU-UHFFFAOYSA-N 410.500 0.544 30 20 HCED CC(=O)NCC[C@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 565795277 MUBMMMIKMSSHEV-GOEBONIOSA-N 406.508 0.990 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 567019332 CETAXBZDDHQFLV-VQIMIIECSA-N 400.479 0.513 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 574610001 BCTIASLCXOUXQA-UHFFFAOYSA-N 407.415 0.928 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 578548687 GNRGWEPUGIVWEO-INIZCTEOSA-N 408.524 0.547 30 20 HCED CN(C)CCOCCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 578854110 KPGMFENEYVYAAU-UHFFFAOYSA-N 424.505 0.449 30 20 HCED C[C@H]1CN(CCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)O1 580017851 FYQLHUHEJAECMF-GASCZTMLSA-N 411.466 0.693 30 20 HCED COC1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOCC1 588645259 WCJRDZYGMBOTBD-SFHVURJKSA-N 400.479 0.535 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)C2=O)cc1 588867097 XCICWVXYZUUNMT-LTFXXXRZSA-N 408.458 0.806 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCOCC4(CCC4)C3)C2=O)cc1 588869825 OEKYRUAOLKQULW-GOSISDBHSA-N 410.474 0.804 30 20 HCED CCO[C@@H]1C[C@H](O)C12CCN(C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)CC2 589407302 QYJHZYVSAJPIAG-DLBZAZTESA-N 424.461 0.856 30 20 HCED Cc1nc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)cs1 590912721 BAYMHCZYOREZEW-UHFFFAOYSA-N 418.544 0.693 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)no1 619572279 VEOYMVVHEHGXJA-UHFFFAOYSA-N 403.464 0.994 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)C1=O 623208794 MSOCTFZRKUDOTK-UHFFFAOYSA-N 402.392 0.152 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 680942341 YQPXBGRRYUIZCC-GOSISDBHSA-N 406.508 0.860 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)C1 725796172 QWMXMDWYTTVPQP-OCCSQVGLSA-N 403.464 0.525 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)Cn2ccc(O)nc2=O)n1 726877205 AYSGCUSDHFTZJE-UHFFFAOYSA-N 405.465 0.701 30 20 HCED CCOc1cccc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)n1 732467454 XJAGYLXTJJAWOY-VHEBQXMUSA-N 414.466 0.838 30 20 HCED N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCOCC2)CCN1Cc1ccccc1 734069142 NBGQBWFRWJGWJV-GOSISDBHSA-N 421.523 0.068 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CCC3(CC2)OCCO3)cc1 746440693 AFLSOEUSLWHJFO-UHFFFAOYSA-N 423.491 0.657 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)c1 747146668 RLVMPCZOZBZBRV-YTQUADARSA-N 405.520 0.922 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(CO)CC2)c1 747772636 ISKRMLQBCZAXMF-QNGOZBTKSA-N 408.480 0.327 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCC(=O)Nc2cc(C)ccc2OC)CC1 747823782 UQQQJIJITQNXKL-UHFFFAOYSA-N 400.479 0.520 30 20 HCED C#CCN1CCN(C(=O)CSc2nn3c(=O)c(C(C)(C)C)nnc3s2)CC1 749875205 VQGCLIBTBSYGSD-UHFFFAOYSA-N 406.537 0.713 30 20 HCED COC(=O)[C@@H](OC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)c1cccc(C#N)c1 751622762 GCAKCFKEJBPOAJ-AWEZNQCLSA-N 402.388 0.285 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 758301484 RARLDNXRHIMPEE-UKRRQHHQSA-N 423.495 0.892 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1 761137560 UGILTQACLMDBCV-UHFFFAOYSA-N 423.364 0.585 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC[C@H]1N1CCOCC1 763714751 MFCFQCACJXBCMB-IAGOWNOFSA-N 420.535 0.875 30 20 HCED COC(=O)c1ccc(COc2ccc(C=NNC3=NC(=O)C(=O)N3)cc2OC)o1 765592643 HYNVGKOMSBEJHR-UHFFFAOYSA-N 400.347 0.590 30 20 HCED Cn1cc(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)c(=O)n(C)c1=O 770856984 CFDJRNYRHWJCOG-UHFFFAOYSA-N 411.458 0.515 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)NCCCOCC)no2)cc1 770985730 GNRDUVXHWBXRQY-UHFFFAOYSA-N 406.464 0.733 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCO1 773785594 DXVWXBXQCZTXRP-IAGOWNOFSA-N 405.476 0.707 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)C1=O 781109562 IDHMFDVALMHEDQ-UHFFFAOYSA-N 404.354 0.562 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)cc1 782164887 QAVNOOCAWIDJPN-KRWDZBQOSA-N 401.419 0.882 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1 783348352 ZJJNFNMRNCWASR-UHFFFAOYSA-N 421.519 0.897 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 784871072 ZFCCFKUCGKPTSL-UHFFFAOYSA-N 423.878 0.394 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)nc12 784876758 ZFADRVSYXWXWQT-HZPDHXFCSA-N 411.418 0.791 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 785161878 WCPQPLXDWFMPCX-KRWDZBQOSA-N 415.446 0.559 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)CC1 792143820 SAFDCDLJFMMIAP-UHFFFAOYSA-N 405.543 0.681 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCCO1 793732887 JTQPFSXQZQGXAI-WDSOQIARSA-N 412.490 0.302 30 20 HCED COc1cc(Br)c(S(=O)(=O)NCC(=O)NCC#N)cc1C(=O)O 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418.490 0.121 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCCNC(=O)OC(C)(C)C)CCO2 1840907335 TZKLKKJDADZNLN-FQEVSTJZSA-N 409.483 0.381 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)c[nH]2)C1 1844795764 YZSXNVSFRSWRRN-HNNXBMFYSA-N 417.466 0.589 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2ccc(COC)cc2)c1=O 53576785 HJBOQPUWVUUZMH-UHFFFAOYSA-N 400.435 0.007 30 20 HCED COc1ccc(CC(=O)n2ncc(C#N)c2N)cc1S(=O)(=O)N1CCOCC1 109480666 ZOZSRRCUVNFGGZ-UHFFFAOYSA-N 405.436 0.249 30 20 HCED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N(C[C@@H](C)C#N)C3CC3)n2)c1C 435063699 CHSACSNXCBGOPL-LBPRGKRZSA-N 411.466 1.436 30 20 HCED C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448509284 BWJDMZIDQCHIFE-UHFFFAOYSA-N 411.506 1.411 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 460701837 NCXUWIBCOSQFAY-KRWDZBQOSA-N 422.367 1.302 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1cccc(C#N)c1 461922635 VCLQJUJHJZWFSF-CYBMUJFWSA-N 416.459 0.887 30 20 HCED 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20 HCED C=CCCCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 737314836 MBJVOGQTOZWPDJ-UHFFFAOYSA-N 416.521 0.868 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(COC)cc2)c1=O 742144205 ZMAKCAQQUVOMHM-UHFFFAOYSA-N 413.499 0.484 30 20 HCED C[C@H](CC(=O)OCCOCCn1cccn1)/N=C1/NS(=O)(=O)c2ccccc21 744104450 LWISYCRBEINWFR-CQSZACIVSA-N 406.464 0.960 30 20 HCED CN(CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)C1=NS(=O)(=O)c2ccccc21 746265732 HZMZHUZCUNLKLG-GOSISDBHSA-N 404.448 0.419 30 20 HCED C#CCNC(=O)C1CCN(c2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 747809148 WPBKMRLWEUDOQN-CYBMUJFWSA-N 416.434 0.852 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)C(C)(C)C#N)cc1 749420756 SZAKRIYBZOOLDL-UHFFFAOYSA-N 409.464 0.861 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC(=O)N(CCC#N)c1ccccc1 756751644 QVXRQFXMOHQZOX-AWEZNQCLSA-N 419.463 0.577 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 756752767 TUDFAZLQYZKQLS-NWDGAFQWSA-N 405.436 0.529 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C#N)C1 757593238 YBJXWBSBUPPBFK-UKRRQHHQSA-N 408.480 0.752 30 20 HCED C=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 760722640 RHTNFSRKUDPAHW-UHFFFAOYSA-N 411.480 0.403 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 761048504 NUPPLNQCXNPQQB-LJQANCHMSA-N 422.482 0.991 30 20 HCED N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CCO2)c1 762300979 LQBSHFMSBROTQV-SQNIBIBYSA-N 417.487 0.494 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1[C@@H]1CCOc2ccccc21 763459206 YCGXXNUGQMUNFY-QGZVFWFLSA-N 420.494 0.869 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 764789738 LMOGHKODKPWGPQ-UHFFFAOYSA-N 422.507 0.937 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 767625594 BLVQWUMEUOVQFP-SJCJKPOMSA-N 412.427 0.867 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCc2nnnn2CC2CCOCC2)c1 768485494 YOYJJUHESHHETD-UHFFFAOYSA-N 421.479 0.921 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1=O 772830160 WWXIXWPEKDWYBO-AEFFLSMTSA-N 401.511 0.450 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCCO1 775801619 YKKARDORDZRSOW-RTBURBONSA-N 405.520 0.431 30 20 HCED C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 779480124 SMMVNAAGTYDLCF-SZCVIQFDSA-N 422.507 0.714 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCCNc3ncccc3C#N)no2)cn1 780826175 XDHGKWUTOWDZOA-OAHLLOKOSA-N 423.437 0.932 30 20 HCED CN(C)C(=O)NCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 781440915 RNZXIIQGQDTXRG-QNGOZBTKSA-N 410.500 0.892 30 20 HCED CNC(=O)[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCO1 781833023 JEFNMBKDGBHSBU-JJTVEENBSA-N 423.495 0.478 30 20 HCED CCOC(=O)C1=C(CN2CCN(c3c(C#N)c(C)nn3C)CC2)NC(=O)N[C@H]1C 788276282 VHHJPGCBDMHFSJ-ZDUSSCGKSA-N 401.471 0.241 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)c1C#N 788535280 AVCHMOLENXHQTD-UHFFFAOYSA-N 418.479 0.640 30 20 HCED C#CCC[C@H](O)CNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 799222889 BUUSJVASHMHMPS-HNNXBMFYSA-N 424.523 0.669 30 20 HCED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1=O 801290334 BEXGNELCPCPMDV-FXAWDEMLSA-N 410.522 0.935 30 20 HCED COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 802465108 IBIZBBNEAWWBRI-INIZCTEOSA-N 405.480 0.998 30 20 HCED COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 802891225 DLGMSRNIFHGRHM-LLVKDONJSA-N 403.416 0.938 30 20 HCED C#CCNc1nc(N[C@@H]2CC(=O)N(C(C)C)C2)nc(N[C@@H]2CC(=O)N(C(C)C)C2)n1 804406316 WUAUPQGMORTXQX-HUUCEWRRSA-N 414.514 0.759 30 20 HCED C#C[C@H](NC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21)[C@@H]1CCCO1 806985287 AQFXISXCSZNXNF-HIRMHNASSA-N 411.458 0.319 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)[C@H]1CCCO1 809304439 KFXBYYNQPFOBBP-AKHDSKFASA-N 418.538 0.123 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1F 814144980 FQTQLFDVCUUVRA-UHFFFAOYSA-N 403.439 0.963 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249375 NFPQEGOFLWHVFI-UHFFFAOYSA-N 421.473 0.833 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 816127445 TWOGGYHHEZWWGM-GFCCVEGCSA-N 406.420 0.920 30 20 HCED O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCO)CC1 849193862 RIOPZSLGDCVOHY-UHFFFAOYSA-N 408.524 0.422 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cccn4)nc3)CC2)o1 915385408 XBEQLOWGMGXBIS-UHFFFAOYSA-N 421.417 0.941 30 20 HCED COc1ccc(C(=O)NCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 918326214 KXNTUILOHKLJMK-UHFFFAOYSA-N 416.459 0.280 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 919170871 GRQJXZSPCYCDEU-ZFWWWQNUSA-N 424.475 0.961 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 993602824 SEYJKMOOTSGGNT-PZEIRFODSA-N 420.473 0.768 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1301017539 KIBQRXAEJWWGLZ-LBPRGKRZSA-N 418.951 0.993 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)[C@H](C#N)C(=O)NCCCOC(C)C)c2C1 1356088684 SSYCUZAKKDMCDG-HOTGVXAUSA-N 403.483 0.835 30 20 HCED CC1(CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1360833289 KZUQQPUAYARCOI-CABCVRRESA-N 424.527 0.530 30 20 HCED COC(=O)c1cccc(S(=O)(=O)NCCn2cnc(C#N)n2)c1Br 1463667316 LOTCIZPJKBJYJD-UHFFFAOYSA-N 414.241 0.677 30 20 HCED COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1504276622 WBYPLCBWYUTKNM-DOTOQJQBSA-N 417.491 0.966 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N(C)C1CC1 1510192714 QQFUGPOXNMJADA-GDZNZVCISA-N 413.523 0.813 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1539803383 ISSSMWXPYHXIEZ-LBPRGKRZSA-N 417.919 0.403 30 20 HCED CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)CC1 1547734959 MOSHZZRJGDWDBD-IRXDYDNUSA-N 402.547 0.853 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(NC(=O)OC(C)(C)C)COC1 1548185537 VLVDQUPLBHQZLP-CQSZACIVSA-N 422.486 0.837 30 20 HCED 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C=CCNC(=O)NC(=O)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 109475115 XBROWFYLQAAAJA-CQSZACIVSA-N 411.503 0.351 30 20 HCED COC(=O)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(OC)cc1OC 409486156 LYOSGBNMENWKAV-DZGCQCFKSA-N 413.452 0.367 30 20 HCED C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)C1=O 410313686 VNXRRKWMFXGMIA-INIZCTEOSA-N 405.480 0.362 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 431980855 KZRLREAJDXHKDY-UHFFFAOYSA-N 404.434 0.831 30 20 HCED C=CCNc1ncc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 433216438 XHDJCPJIQJVKBO-UHFFFAOYSA-N 410.525 1.058 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)c3ccccc3O)CC2)CC1 436713046 DEXZZFXNWPMJJG-LJQANCHMSA-N 413.522 0.842 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)n2)c1 442038799 AMJPCTRUKDNJPL-CYBMUJFWSA-N 410.415 0.383 30 20 HCED CS(=O)(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443513341 YSYOLBFXFZZBDG-PWSUYJOCSA-N 402.454 0.463 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 446727190 UKNUSDQAALDPTP-UHFFFAOYSA-N 400.414 0.481 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 462100893 JPPYTJKEJZXUNQ-MRXNPFEDSA-N 410.482 1.156 30 20 HCED C=CCN(CC(=O)Nc1nc(CC(=O)OCC)cs1)[C@H]1CCS(=O)(=O)C1 462346846 MKZFBJLKBRMRRG-ZDUSSCGKSA-N 401.510 0.862 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 465467605 APYDNPFRSTWUQR-FPCVCCKLSA-N 410.478 0.949 30 20 HCED N#CCN1CCN(C(=O)CNC(=O)c2ccccc2I)CC1 474131087 ZNTKJCFSZLBAPN-UHFFFAOYSA-N 412.231 0.689 30 20 HCED CNC(=O)[C@@H](NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O)c1ccccc1 475860149 SGWTWSGLAPGEHX-SFHVURJKSA-N 400.460 0.928 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(CC(=O)Nc2sccc2C#N)CC1 477049450 MYRZADGHJCGYAF-UHFFFAOYSA-N 400.526 0.931 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1C#N 477651162 DCQFRHJGFKERDE-DZGCQCFKSA-N 420.491 0.677 30 20 HCED C[C@H](C#N)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 477687447 AMHIRSGRBMBGFV-SKDRFNHKSA-N 406.386 0.646 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccc(F)cc1 481110804 IACUIRLFUFMZEP-CYBMUJFWSA-N 418.450 0.910 30 20 HCED CCn1cc([C@@H]2CS(=O)(=O)CCN2C[C@H](O)COc2ccc(C#N)cc2)cn1 482972219 AGNXNHHVCQTNQN-HKUYNNGSSA-N 404.492 0.986 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 485568686 LVIMCFMPFJXING-SFHVURJKSA-N 401.492 0.624 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 514032541 IHKWTCVCORWSLZ-UHFFFAOYSA-N 406.512 0.456 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 514718993 PTCWPTHCUMMPBU-UHFFFAOYSA-N 403.420 0.973 30 20 HCED CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc(N(C)C)nc2)c1C#N 515023650 LUOKEVHVVHIQKU-UHFFFAOYSA-N 405.484 0.622 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)C1=O 520454103 SFBMOWSRTRYHOB-CABCVRRESA-N 420.416 0.432 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCC(N(C)C)CC1 536224237 FQZSQVGLIXWUGA-INIZCTEOSA-N 400.531 0.594 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 542070069 NPYILGDNRGXZFT-UHFFFAOYSA-N 422.898 0.913 30 20 HCED CCOC(=O)c1cnn(CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1C#N 544747056 YSYMRXISIOSOSK-UHFFFAOYSA-N 405.436 0.787 30 20 HCED CCNS(=O)(=O)c1ccc(CC(=O)N(CCC#N)CCN2CCOCC2)cc1 545381190 YJTRRSFTXPRYRG-UHFFFAOYSA-N 408.524 0.602 30 20 HCED Cc1ccc(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cc1S(=O)(=O)NCC#N 545498305 DPPLRMXMNBYOLR-HNNXBMFYSA-N 405.480 0.473 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncc(F)cn2)CC1 546116986 LXGLPTQZXQPSBQ-CYBMUJFWSA-N 418.454 0.503 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCC(=O)N3CCCCCC3)CC2)n1 552589294 NKXIFAUOQDGRIL-UHFFFAOYSA-N 412.494 0.511 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 554677042 PNAHZUUKYJUZGC-MSOLQXFVSA-N 419.570 0.202 30 20 HCED CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCN(c2cnccc2C#N)CC1 561428949 HRVTZTHISVYPRM-GOSISDBHSA-N 417.477 0.890 30 20 HCED N#CCCN(CCC#N)C(=O)CN1CCN(Cc2nnnn2-c2ccccc2)CC1 561805730 WOQNTEWKPOBRBN-UHFFFAOYSA-N 407.482 0.436 30 20 HCED C[C@H]1CN(C[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 572413076 MQXSTYYRGHSGMB-JZXOWHBKSA-N 420.535 0.937 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)n(CCC#N)n1 577288447 MTDQQUWGBZQGOU-OAHLLOKOSA-N 401.471 0.840 30 20 HCED N#Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)o1 581271743 IKHXRVQMUYFJGL-UHFFFAOYSA-N 413.433 0.679 30 20 HCED COC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CCCO1 582452670 XOODEAJCPBVWJZ-OALUTQOASA-N 402.495 0.759 30 20 HCED COCCCN(CCOC)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587659514 QBIWWVXOTOQLEQ-UHFFFAOYSA-N 403.483 0.550 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603639701 KLULUCFLLKVEKR-UHFFFAOYSA-N 400.460 0.933 30 20 HCED COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 617092835 OHGDXEATWUYEEP-OAHLLOKOSA-N 423.429 0.837 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)C1=O 726042311 HHIILGKVFLZQPL-UHFFFAOYSA-N 404.766 0.670 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(N3CCCC3)CCOCC2)c1 729441012 LKAPHHRCOHMTSL-UHFFFAOYSA-N 405.520 0.973 30 20 HCED Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732154862 VGRADDVMVZCMLM-DXQAYGFFSA-N 413.413 0.547 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(N)=O 732796481 GCPRLCVYMITVSJ-UHFFFAOYSA-N 415.519 0.681 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCS(=O)(=O)CC2)c1 732937841 YYLLSRYJZFAXPM-UHFFFAOYSA-N 404.488 0.685 30 20 HCED CNC(=O)CNC(=S)NN=C(C)c1ccc(S(=O)(=O)CC(F)(F)F)cc1 741763485 PDLZLTGUPJSOAB-UHFFFAOYSA-N 410.443 0.957 30 20 HCED C#CCCCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 742788234 GQAAVQYWSCGIOR-JMPLCFMRSA-N 412.533 0.910 30 20 HCED N#Cc1c(NC(=O)COC(=O)c2cn(CC(N)=O)nn2)sc2c1CCCCC2 745468620 QSVLRUXDIOEYQJ-UHFFFAOYSA-N 402.436 0.761 30 20 HCED C[C@H](CC(=O)OCC(=O)NCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 745495482 HAACMVCGRWRHSR-SECBINFHSA-N 407.370 0.725 30 20 HCED Cn1c(N2CCC(OCCCNC(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 749105150 SSEXXVMEWOAKNR-UHFFFAOYSA-N 421.498 0.856 30 20 HCED C#CCNC(=O)c1ccccc1NCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 749265125 JZGQTLXWMYTAEA-UHFFFAOYSA-N 413.522 0.520 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C#N)C1 749648509 DCWXIQYGLFSCDJ-AWEZNQCLSA-N 423.495 0.717 30 20 HCED CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)N1CCOCC1 750963448 UJLJTELZPHNSQS-OAQYLSRUSA-N 413.478 0.552 30 20 HCED C=CCN(C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 754063152 BBBPCFUIWPEBRC-UXHICEINSA-N 423.579 0.853 30 20 HCED Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 757873466 MKVYTUSHMCIBEY-ZPHPHTNESA-N 423.433 0.928 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1CCOC 761837524 YXBPHOGGCUOFOE-UHFFFAOYSA-N 400.504 0.679 30 20 HCED NC(=O)c1ccc(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)cn1 762061613 HOKSLKXNCRLZJF-UHFFFAOYSA-N 412.431 0.902 30 20 HCED COCCNS(=O)(=O)c1c[nH]c(C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)c1 764023265 BGTSVJPPTUNDDY-MRXNPFEDSA-N 421.431 0.882 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1nc(=O)n(C)[nH]1 765409153 LYYAQLFQBZRHQW-GFCCVEGCSA-N 407.452 0.449 30 20 HCED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H]1CCS(=O)(=O)C1 765412511 BXUMWRMXFVSRNH-UONOGXRCSA-N 400.501 0.077 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CCCN2CCOCC2)[C@H](C#N)C1 766077633 PMWJUHRIFDRIFW-HUUCEWRRSA-N 402.517 0.387 30 20 HCED N#C[C@@H](C(=O)c1csc(-c2ncccc2F)n1)C(=O)N1CCS(=O)(=O)CC1 768799882 RJVFUYXTGAFFKN-JTQLQIEISA-N 408.436 0.924 30 20 HCED COC(=O)C[C@@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCOC1 770159551 DRPBBYQTQQCHRL-SFHVURJKSA-N 409.464 0.721 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 771661697 QDZJGBMOLUYTIB-UHFFFAOYSA-N 406.552 0.744 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2cc(O)ccc2c1 771893307 YQIGGILNJAOXDH-UHFFFAOYSA-N 402.432 0.645 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)[C@H]1CCCO1 773790744 NOPFYHPMSZNKGY-RHSMWYFYSA-N 421.475 0.371 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 780059766 IGFOMPXOTKIJMD-XJKCOSOUSA-N 410.434 0.960 30 20 HCED CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C2=O 781807828 ILYYUKXQOWGVOF-UHFFFAOYSA-N 403.439 0.686 30 20 HCED COCCOC(=O)c1c(NC(=O)C(=O)NCC(C)(C)C#N)sc(C(N)=O)c1C 782006021 JUBHYLCPPCJWQQ-UHFFFAOYSA-N 410.452 0.563 30 20 HCED COC(=O)C1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 782064917 XNNORCIMSKGRBF-UHFFFAOYSA-N 423.491 0.591 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 783347615 KUYVZUZDZNZFCB-UHFFFAOYSA-N 411.871 0.635 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 783479415 KDRPBFSEHRPHLQ-MRXNPFEDSA-N 407.492 0.214 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OCC(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 783481274 WGANGPBJBFSZAP-HNNXBMFYSA-N 422.459 0.216 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 786362989 MMHCJQHGNYLQLM-RGCFKVTRSA-N 411.414 0.270 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)NC3CCC4(CC3)OCCO4)CC2)c1C#N 788275802 NNEXJIPMYGBNQA-UHFFFAOYSA-N 402.499 0.524 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(CS(C)(=O)=O)cc1)c1cc[nH]n1 789963425 GXUIWSLOGTZNJM-UHFFFAOYSA-N 408.436 0.877 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(=O)o[nH]1 790073856 XPMVWPOMFXQWHP-LBPRGKRZSA-N 407.452 0.319 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2c(F)cccc2Br)c(=O)n(C)c1=O 794523605 PJDPRWUTJWGLRA-UHFFFAOYSA-N 419.232 0.298 30 20 HCED Cc1ccc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N(C)C 798743015 BODACJAEQCPCNB-GFCCVEGCSA-N 420.451 0.451 30 20 HCED CC(=NNCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 799486574 HAGIIDVAARITBY-UHFFFAOYSA-N 410.540 0.743 30 20 HCED CCOC(=O)N1CCC(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)CC1 801553786 WTCYVTRYSVYXRV-UHFFFAOYSA-N 400.483 0.812 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)c(F)c1 802572376 PXKPNXVZDOCNPD-AWEZNQCLSA-N 409.389 0.705 30 20 HCED C=CCOc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1OC 805752488 ASAWOWRVYGCUNL-UHFFFAOYSA-N 419.478 0.649 30 20 HCED Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)NC3CCN(CC#N)CC3)C2=O)c(C)c1 808213180 NVVCHIHJTIMPMA-GOSISDBHSA-N 411.506 0.938 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1)[C@H]1CCCO1 809304234 GLHZVBHNASDFIV-YESZJQIVSA-N 404.536 0.450 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 810773451 FTTBKOCQKOUYRJ-HNNXBMFYSA-N 408.476 0.564 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 810784118 SDXXVYXIEAKUII-IHRRRGAJSA-N 400.522 0.753 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 814544288 FMMLWVBDBLSXBQ-CQSZACIVSA-N 420.846 0.402 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 917431206 NHHGVUIAVUVHTL-ZDUSSCGKSA-N 420.447 0.224 30 20 HCED CCc1nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)cs1 920395657 ZUKYSCYKOCWHRV-UHFFFAOYSA-N 418.544 0.701 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 921130306 HRWVPNJNKOUWRN-UHFFFAOYSA-N 412.240 0.482 30 20 HCED Cc1noc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1304897409 YGJHWVQHZOUGCW-GUYCJALGSA-N 423.474 0.946 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCO1 1309831025 QUNGITNOMNSOHE-CYBMUJFWSA-N 405.402 0.692 30 20 HCED COCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1318339354 SBSXOGXABFXTHY-DOTOQJQBSA-N 405.476 0.573 30 20 HCED CCS(=O)(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 1322044743 TUHBNGBCLUVDCU-UHFFFAOYSA-N 413.521 0.836 30 20 HCED COC(=O)[C@]1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1323735423 VAVZLHPKYVYTHI-LIRRHRJNSA-N 400.391 0.212 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2nc3n(c2=O)CCCCC3)C1 1325356747 LQXCITANLBQESQ-KGLIPLIRSA-N 404.471 0.646 30 20 HCED Cc1c(NC(=O)[C@H](C#N)C(=O)CCn2cnccc2=O)c(=O)n(-c2ccccc2)n1C 1356087195 JLTWDAOSCFGMIY-MRXNPFEDSA-N 420.429 0.779 30 20 HCED CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1360684798 QWIXJZDUDXTXOH-XJKSGUPXSA-N 401.512 0.670 30 20 HCED 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DFFRTQBKJCKBBM-STQMWFEESA-N 406.508 0.866 30 20 HCED N#Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)Cn2cnnn2)CC3)cc1 1822166231 QWQAPJQNJWQEAM-ZDUSSCGKSA-N 408.447 0.927 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)c1nc[nH]n1)CC2 1822924947 SHRDGXVEVJQXOO-SNVBAGLBSA-N 404.452 0.996 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc([N+](=O)[O-])o4)CCO3)C2)CC1 1829484670 MXOQJXIIDZAWPZ-GOSISDBHSA-N 404.379 0.562 30 20 HCED CC(C)N1CCC[C@H]1C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224280 JCCFXMCJAPBVHB-UGKGYDQZSA-N 403.523 0.729 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)o1 1831488094 VJXBKNISFLLXII-WMZOPIPTSA-N 412.512 0.331 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc[nH]n4)CCO3)C2)c1 1831766636 MSSISFYXNAZDBU-FQEVSTJZSA-N 413.409 0.804 30 20 HCED NC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/N2CCCCC2)CC1 1832936826 CLWNOTIRWCACLW-BDFKGGEMSA-N 406.531 0.746 30 20 HCED C=CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3c[nH]c(=O)cn3)CC2)CC1 1833477765 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JNIHEBDWHZAJBK-IIBYNOLFSA-N 413.478 0.642 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1835994191 UUCGORSRWXUGJW-UYAOXDASSA-N 423.535 0.259 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)Cc1cccnc1)CCO2 1836506281 XRPUWVFMLTWFGQ-LQBOVUBWSA-N 416.522 0.620 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnsn3)C2)C1 1837394689 HYMSVOJGTVTABN-KDOFPFPSSA-N 410.496 0.181 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)CC1 1837527842 XUZASFPSFMEJLG-HNNRIZOBSA-N 420.466 0.276 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c(CC)noc3C)CCO2)C1 1838055032 RQPVAARNPSLMBF-IERDGZPVSA-N 419.478 0.654 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnn(C)c3Cl)CCO2)C1 1838305313 HZDBQHJDHGRLOO-KUHUBIRLSA-N 424.885 0.182 30 20 HCED Cc1n[nH]cc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1838679180 ITRHTSFFBDGFLS-QFIPXVFZSA-N 408.458 0.840 30 20 HCED CC(C)NC(=O)OC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839072582 KPNBSABKHVIOMM-IBGZPJMESA-N 410.471 0.270 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)COCCOC)C2)C1)C(F)(F)F 1839892342 ILKSYEFNNARNLE-INIZCTEOSA-N 410.389 0.224 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4[nH]ncc4c3)C2)C1 1840161403 NUQPHPFHKZTRQG-KZULUSFZSA-N 405.480 0.346 30 20 HCED CC(=O)O[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)S)CCO2)C1)C(C)C 1840161671 WZEFSYWJHRUAAF-YEWWUXTCSA-N 402.513 0.349 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)Cn3ccnc3)CCO2)C1 1840428674 RXIVZBWHNIKPNJ-WAOWUJCRSA-N 418.494 0.014 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCCC1)CCO2 1840938313 NPPPZTCMJLLDHB-QFIPXVFZSA-N 423.554 0.912 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)[C@H](O)N2CCOCC2)C3)c1Cl 1844735295 BTYQBUXYKMDOBA-SFHVURJKSA-N 418.881 0.679 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)c1 1846828619 JIMFCRXKRJEBBB-QGZVFWFLSA-N 414.506 0.417 30 20 HCED CCS(=O)(=O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(F)c(C#N)c1 1847787029 DYEXRDFYHSCNMM-IRXDYDNUSA-N 407.467 0.876 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(SC)c([N+](=O)[O-])c1 16998449 DKOLXCNYUUQRAQ-SNVBAGLBSA-N 417.465 0.829 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C 18396629 LQWGMOFPFNTUFU-UHFFFAOYSA-N 400.457 0.224 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(S(N)(=O)=O)s2)cc1 45018681 ITTXLANEMXWFBN-UHFFFAOYSA-N 413.502 0.498 30 20 HCED COC(=O)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccc(OC)cc1OC 409486159 LYOSGBNMENWKAV-ZFWWWQNUSA-N 413.452 0.367 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 409560985 FICZDCGAQXRAJK-UHFFFAOYSA-N 412.487 0.619 30 20 HCED COCCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCOC1 427912992 NBXBJXSFILATNJ-AWEZNQCLSA-N 401.398 1.085 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 429193609 LVSLSCBSQVMCPA-UHFFFAOYSA-N 412.491 0.361 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 435206604 MWHRADFEWWHOBD-AWEZNQCLSA-N 406.464 0.532 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)C1=O 440236806 AQDOPOFOIQOTEV-OAHLLOKOSA-N 402.451 0.581 30 20 HCED Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1C#N 441985625 JDMKJGWQTOPXNG-UHFFFAOYSA-N 410.477 0.691 30 20 HCED COc1ccc(NC(=O)C(=O)NCCOc2ccc(C#N)cc2)cc1-n1nnnc1C 442244135 RUBXVIZIYLVNPA-UHFFFAOYSA-N 421.417 0.985 30 20 HCED CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(=O)(=O)N(C)CCC#N)C1=O 442790373 INIGSAGBSXLEKH-KGLIPLIRSA-N 402.517 0.633 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccn2)c1=O 443573080 HCNVPTGFVLLJRU-UHFFFAOYSA-N 400.529 0.793 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)n1 444505881 ILHAMHNMSQLQOU-UHFFFAOYSA-N 420.473 1.563 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCC(NC(=O)c3ccsc3)CC2)n1 444508883 VMEJOFNFUIBBPA-UHFFFAOYSA-N 400.464 1.218 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 447248935 MEZFYHVUWZSRQA-UHFFFAOYSA-N 417.853 0.443 30 20 HCED Cc1nc([C@@H]2CCCN(C(=O)C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)C2)n[nH]1 460717383 JKKWPARIQFHJKZ-OAHLLOKOSA-N 419.449 1.219 30 20 HCED CN(C)C(=O)CC1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460807756 GCLDWYIENYETRQ-UHFFFAOYSA-N 409.450 0.794 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 462019900 FYIOJBVCSWHRBL-AWEZNQCLSA-N 403.468 0.993 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC[C@@]3(CCOC3)C2)CC1 464860627 SJOHWBIQJNLMEV-HXUWFJFHSA-N 418.519 0.504 30 20 HCED Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465124601 YLNKNAORIUUXCV-LBPRGKRZSA-N 406.450 0.993 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)o1 465127382 ICGSCFNCWNVENE-NSHDSACASA-N 404.452 0.509 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCn1nnc2ccccc2c1=O 465190187 ZASVKEUAUVHXIR-AWEZNQCLSA-N 404.434 0.581 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465417941 RMZXSWYHBYSAOR-CYBMUJFWSA-N 407.434 0.384 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F)CC2 467659200 KJBUAFBRFGKJJI-UHFFFAOYSA-N 403.345 0.777 30 20 HCED COC(=O)c1nscc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472192587 GGPJDWGQNBTPOK-UHFFFAOYSA-N 410.481 0.354 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C 480123453 FGWZMDIXEHBJQP-UHFFFAOYSA-N 416.459 0.401 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C 480210491 CTBZDBSRKYRLNI-UHFFFAOYSA-N 402.432 0.011 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(C#N)cc2)c1 495422814 KSEARLXBDCGQFH-UHFFFAOYSA-N 400.460 0.855 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1 499561090 MKMPSWQOXWSQHE-CQSZACIVSA-N 410.496 0.550 30 20 HCED CO[C@H]1C[C@@H](C(N)=O)N(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 502749656 UHHWUOLXZXVMTJ-RYUDHWBXSA-N 414.340 0.539 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NCCCN3CCC[C@H]3C(N)=O)C2=O)cc1 503934859 CJACQUKJAXYDSN-ROUUACIJSA-N 412.494 0.693 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1 510195048 DTYFUNOEHRKFPH-ZDUSSCGKSA-N 404.514 0.180 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CCC#N)CC2)C[C@H](C)O1 513112804 FQHWXRMNOSNMNZ-HOTGVXAUSA-N 415.560 0.998 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccccn2)c1=O 514910292 WIMWDRYWUZREKU-UHFFFAOYSA-N 412.515 0.925 30 20 HCED C[C@@H]1CN(C(=O)c2ccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)cc2)C[C@@H](C)O1 516366551 UHRHJRVKGMMZHI-ZIAGYGMSSA-N 411.462 0.817 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccccn2)c1=O 530317874 CIUOTDDKTBTCBL-OAHLLOKOSA-N 413.499 0.840 30 20 HCED C=CCN(CC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 532719095 UWADSMNRTIYIDZ-JKSUJKDBSA-N 406.570 0.477 30 20 HCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2C1=O 546905906 TZBNTLAAVPAFLJ-UHFFFAOYSA-N 418.413 0.466 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549287968 QWIXVJPXHHMFSO-CQSZACIVSA-N 414.470 0.920 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1[C@@H](C)c1ccccc1 551923983 ADIWESJEQGCDOB-AWEZNQCLSA-N 407.499 0.810 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](c2ccccc2)[C@@H]2CCCO2)CC1 556614493 CZONUSFHGKHMHN-AZUAARDMSA-N 414.506 0.469 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1nnc2n1CCCCC2 559572358 MMQVERLSIXQDAO-OAHLLOKOSA-N 422.493 0.797 30 20 HCED CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCCC1 564474816 YEKQXSNEQWYZLE-UHFFFAOYSA-N 416.463 0.551 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)NCc1ccccc1CN1CCCC1=O 572890936 PWXOFKSNVCPKCW-UHFFFAOYSA-N 407.496 0.057 30 20 HCED COc1ccc(CN2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)cc1 588126711 PMUJVZQMKJGBNO-UHFFFAOYSA-N 413.522 0.834 30 20 HCED Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)c1 588128875 PYUHQMNKYDVJTB-UHFFFAOYSA-N 411.506 0.774 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1 590948026 SPRKDOZCLJPPMY-UHFFFAOYSA-N 405.480 0.197 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccccc2)c1=O 603552984 MVBUDTUOVHFFRN-UHFFFAOYSA-N 419.510 0.817 30 20 HCED CN(CC(=O)N1CCC[C@@H](c2nncn2C)C1)S(=O)(=O)c1ccc(C#N)cc1 603635065 UBKHATWRJZICNN-OAHLLOKOSA-N 402.480 0.713 30 20 HCED C=CCOCC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 609163782 YEVMTENHBXKWJQ-UHFFFAOYSA-N 400.453 0.719 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1 611546035 WZKWROPRTDZIDJ-UHFFFAOYSA-N 409.406 0.205 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 728532268 RNIDGZOLCJXVSB-UHFFFAOYSA-N 411.550 0.724 30 20 HCED COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N2CCN(CC#N)CC2)c1 729483025 MMASKDALPWBEPB-PLNGDYQASA-N 409.464 0.720 30 20 HCED CN(C)C(=O)c1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 736092191 LOEGJABAZDOORM-UHFFFAOYSA-N 401.448 0.851 30 20 HCED N#Cc1ccccc1CN1C(=O)CN(CN2CCN(C(=O)CN3CCCC3)CC2)C1=O 738160289 ICOXAJIGZLYOML-UHFFFAOYSA-N 424.505 0.520 30 20 HCED C[C@H](OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 745485341 YAZHQPPQKMKAEI-QPHFJENPSA-N 403.435 0.423 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)cc(C(=O)OC)c2)CC1 749666411 JVEKNMKXUZZDDF-UHFFFAOYSA-N 422.869 0.512 30 20 HCED C[C@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 749671110 JGYKYKXSCCFIMA-HXUWFJFHSA-N 416.401 0.940 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(CC(=O)OCC)s2)cc1 752452704 VURNYQBPHQVRKJ-UHFFFAOYSA-N 408.461 0.808 30 20 HCED C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)N2CCN(C(=O)OCC)CC2)c1 755967258 WWZKYDMOUHSYDB-UHFFFAOYSA-N 408.480 0.239 30 20 HCED C#CCOCCC(=O)O[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 756313983 NWCBCDUKCHBEOT-QGZVFWFLSA-N 422.503 0.800 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 756893577 VQIAXBQXWKMNGX-CORIIIEPSA-N 421.479 0.592 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ncc(Br)s1 756895066 GIAAKMRMMMHPQM-UHFFFAOYSA-N 422.286 0.006 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(-n2cncn2)nc1 756920099 LZYVXSFUFFKMPS-AWEZNQCLSA-N 404.438 0.744 30 20 HCED O=C1Nc2cc3c(cc2C1=NOCC(=O)N1CCC2(CC1)OCCO2)OCCO3 761311689 RBEFKYPJMKAABN-UHFFFAOYSA-N 403.391 0.496 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1Cc1ccon1 765144821 BUWZBNCKHDNNIG-UHFFFAOYSA-N 412.475 0.192 30 20 HCED CCOC(=O)N1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 765346991 DNXXZRUVYDCODF-CQSZACIVSA-N 408.480 0.916 30 20 HCED CCOC(=O)CN1CCC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 766379581 GGWBJQUVGLFEIQ-GOEBONIOSA-N 423.491 0.796 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767627448 NEKGUZOVYRGZPN-ZIAGYGMSSA-N 406.464 0.776 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C 767634154 FEYULWMIHNRNEE-NWDGAFQWSA-N 424.479 0.781 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 771584695 FOAUCTOGDZOKLL-YCRPNKLZSA-N 413.478 0.814 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCNc1ncccc1C#N 771598670 YIVGZZAKNFMGLY-GFCCVEGCSA-N 417.447 0.374 30 20 HCED CCCCCCCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 785497444 RBRZHUZEVSDETK-UHFFFAOYSA-N 424.542 0.383 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(=O)NC1(C#N)CCC1 787643519 JXVJQPQAOSUZSZ-CYBMUJFWSA-N 409.464 0.407 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(-n3cccn3)nc2)n1 789787856 DIGTVQCFOJVERY-UHFFFAOYSA-N 407.434 0.711 30 20 HCED COCC1(C)CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 789829919 LNVMQANZQQXLQF-PGMHBOJBSA-N 422.507 0.933 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(C[C@@H]2CCOC2)CC1)c1cc[nH]n1 789977425 SBKMRVRMJFFLFA-AWEZNQCLSA-N 407.471 0.311 30 20 HCED C[C@@H](C#N)OCCNc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 802741738 WSGCOVAYADZOMU-INIZCTEOSA-N 424.523 0.885 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)CC1 803936675 MKXJHSHVBIXHGJ-CYBMUJFWSA-N 412.493 0.444 30 20 HCED CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 805057479 IKQVAFVAFPVRCW-FQEVSTJZSA-N 407.515 0.854 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCc1ccccn1 805963062 ZHNJBBGVKZSUFR-ZIAGYGMSSA-N 416.459 0.868 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1 808450605 PXJHHFHHMBISMY-QXAKKESOSA-N 403.504 0.975 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCCO1 809307565 FTACTTZSGOJKPL-DLBZAZTESA-N 403.866 0.921 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](N3CCCCC3=O)C2)cc1 810393093 MLRNYTGGAIMJGB-MRXNPFEDSA-N 404.492 0.840 30 20 HCED CO[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 810469647 NJMIUSYQFGNDET-ZXKZCITISA-N 410.496 0.978 30 20 HCED CON(C)C(=O)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 812713478 JYQUUBBCFSYHKM-ZDUSSCGKSA-N 422.507 0.762 30 20 HCED N#C[C@H](C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 816038707 DYVHNZVSGOZULU-OWCLPIDISA-N 410.386 0.871 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(Cl)cn1 821693287 AOYLAFCHZDZWBR-UHFFFAOYSA-N 408.823 0.955 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)N1C(=O)CCC1=O 916440809 UTHXIRKPLQKETD-FWORZXNSSA-N 406.464 0.975 30 20 HCED CC(=O)NCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918266365 ZFIMMSXQHHGYEA-JWGURIENSA-N 423.495 0.080 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1116054916 WLPFBZHARYLNFA-SFHVURJKSA-N 407.474 0.195 30 20 HCED C=CCN(CC=C)C(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1218326829 WOXWTIRGSODQJH-VDRZXAFZSA-N 403.523 0.914 30 20 HCED Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NCC1CCN(CC#N)CC1 1253462503 GVJPPLXIMNORFO-UHFFFAOYSA-N 408.470 0.216 30 20 HCED C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1296159593 AKZOTVNUTLXLML-YVEFUNNKSA-N 421.500 0.937 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)cn1 1303333794 ZLGNCWWYZWJPDJ-KGLIPLIRSA-N 402.398 0.825 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1303447307 TWRBCKINEAASLD-INIZCTEOSA-N 409.450 0.982 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C(N)=O)c2)CCO1 1316535654 WYLDPZVEJUECMI-QGZVFWFLSA-N 423.477 0.584 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2=O)cc1 1318498401 SVESFZSNJUPDJY-OKZBNKHCSA-N 411.462 0.743 30 20 HCED C=CCn1cnnc1S(=O)(=O)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 1331749909 PMICOMFNARLCCL-AWEZNQCLSA-N 416.525 0.196 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1359473026 VGUXPVNWGJBNMN-BFHYXJOUSA-N 409.516 0.249 30 20 HCED CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1=O 1502236176 KPIARHALVOUVEY-MRXNPFEDSA-N 411.466 0.359 30 20 HCED CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1516973888 WUDXADVHYCNOLY-INIZCTEOSA-N 422.493 0.516 30 20 HCED CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1609769676 XXOUEASERRYYIP-KRWDZBQOSA-N 422.493 0.945 30 20 HCED C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1611298117 SHFCPDWKAZRCEE-UKRRQHHQSA-N 406.516 0.841 30 20 HCED CN(C)CC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1617679100 PZVUVAXVBWQGMV-IAGOWNOFSA-N 414.558 0.994 30 20 HCED CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1618794529 MKTXDUDNXRSDML-INIZCTEOSA-N 408.466 0.509 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)C1(O)CCOCC1 1630345019 INOCOMLSALIOFR-AWEZNQCLSA-N 409.508 0.909 30 20 HCED CCOC(=O)Cn1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1639419467 YZDNVJWZUVKNEI-LBPRGKRZSA-N 419.463 0.902 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)Cc1ccon1 1692664644 PJBYKUHNHJLMCN-KGLIPLIRSA-N 423.499 0.628 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1711410744 WKVDSIODYVBOOI-QGZVFWFLSA-N 411.466 0.694 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1729743662 QBYGHWPLBZBLDL-CQSZACIVSA-N 408.459 0.286 30 20 HCED CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1764293599 LKSPWJUOCXKTRB-QWHCGFSZSA-N 400.505 0.168 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1779063612 QQLVMFSYAJDJKY-KNQAVFIVSA-N 416.474 0.842 30 20 HCED CN1CCC[C@H]1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099662 KMNXINNBJQEUIF-AOIWNZGJSA-N 408.499 0.440 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cnsn1)CCO2 1779101919 VAWDPHHUWXRRCF-LMLSDYSLSA-N 409.468 0.511 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779214582 VHAMAIMZXOTQEX-FXAWDEMLSA-N 405.499 0.727 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1779343100 CSLRFYSFFMCBDA-QVKFZJNVSA-N 416.478 0.407 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CC[C@H]3CCC(=O)N3C2)C1 1780604887 HJQKMHXTNVNKML-KYFSNAEOSA-N 402.495 0.815 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)COCCO)C3)C2)c(Cl)c1 1781321115 UGNDEFXRGBLOKS-IBGZPJMESA-N 407.854 0.664 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C3=NN(C)C(=O)CC3)CCO2)C1 1781390085 CREIHEGJEZVYPL-KUHUBIRLSA-N 407.471 0.225 30 20 HCED C#CCCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1782362302 SJDUXIPUIUPGLA-SQGPQFPESA-N 402.499 0.942 30 20 HCED C=CCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)CCO2 1783917682 NYNAJVFVXWVFBG-MGPUTAFESA-N 411.499 0.668 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)CSCC(=O)O)C3)C2)c1 1783956970 JNXPTOVTIIPPMN-IBGZPJMESA-N 403.460 0.820 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCC(=O)NCCC)[C@H]2C1 1784376293 SRMLPBKJLLUOKV-XSLAGTTESA-N 423.554 0.846 30 20 HCED CC[C@@H](NC(N)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](S)C(C)C)[C@H]2C1 1784532122 XZJJRORVATWIPB-SBJFKYEJSA-N 400.545 0.367 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)n3ccnc3C)C2)C1 1784625929 PNPFPAKGTOBIGO-ZEUIOTOJSA-N 415.494 0.441 30 20 HCED Cc1nccn1[C@@H](C)C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1784631349 UABHBGASXGZRRV-HRAATJIYSA-N 416.526 0.864 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)COc3ccccc3C#N)C2)C1 1785377379 DKCIOPFVILBGBE-TZIWHRDSSA-N 401.463 0.784 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)C(C)=O)CCO2)C1 1785573763 ZVCNVNBCRUQOLV-QRWLVFNGSA-N 407.467 0.322 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnoc3C)[C@H]2C1 1786116757 BVPVQIWBLMANHR-BVZCXFIXSA-N 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424.479 0.273 30 20 HCED O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 442024257 DOCBNFNJVNKRFM-SFHVURJKSA-N 402.410 0.788 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 442228987 KWPCZKMCFRCNMG-MRXNPFEDSA-N 400.479 0.722 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 446161287 KZIZUZDOGCMOAW-UHFFFAOYSA-N 413.499 0.609 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](C2CCN(C)CC2)C1 460736905 PXKJGCWFDCUADL-GOSISDBHSA-N 421.505 1.576 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2 464858199 LXTQRXFSDQCCBW-ZDUSSCGKSA-N 423.433 0.936 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2ccc(C)n2)CC1 469633612 STLJFPCGRGFNQN-UHFFFAOYSA-N 410.478 0.566 30 20 HCED C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](CO)O1 470378174 XBEBJWMMLJYORC-RHSMWYFYSA-N 407.492 0.567 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)N3CCN(Cc4ccco4)CC3)CC2)c1C#N 472151757 GKLZONBMKKLRNJ-UHFFFAOYSA-N 411.510 0.660 30 20 HCED Cc1ccc(-c2nnn(CC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)n2)cc1 472279129 RWRCLNQWJVHTNI-UHFFFAOYSA-N 405.466 0.911 30 20 HCED COC(=O)[C@H](C)SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 476488032 YUYHMSWADQJEII-ZDUSSCGKSA-N 411.505 0.686 30 20 HCED C[C@H](C#N)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 477687446 AMHIRSGRBMBGFV-BXKDBHETSA-N 406.386 0.646 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1C 485945025 ZEOBAGGVSZLCTH-UHFFFAOYSA-N 409.870 0.895 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 489021738 ZBOFQDPQYYAWGO-HIFRSBDPSA-N 400.456 0.790 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)N(C)CCC#N)CC2)cc1 490915672 VZPUAHWZGIAYKW-UHFFFAOYSA-N 400.526 0.828 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(Cl)cn3)CC2)c1C#N 492328363 HXYFCHHEBRGUOK-UHFFFAOYSA-N 401.858 0.614 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)c(C)c(C(=O)OC)c2)CC1 495335955 IGPMSAIMKIUGBL-UHFFFAOYSA-N 416.478 0.475 30 20 HCED C=CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cn1 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30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(F)ccc(OCC)c2F)CC1 533896856 MFJVBAGOLFXQPS-UHFFFAOYSA-N 410.421 0.748 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nnc(O)n2C[C@H]2CCCO2)CC1 540372187 NHFUYAAKASHKHU-CABCVRRESA-N 408.528 0.947 30 20 HCED CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 541248081 YNQDWXKQGWFUIS-SFHVURJKSA-N 406.508 0.942 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOCC4(CCOCC4)C3)CC2)o1 544178776 VKLHZYNDNUIBQK-UHFFFAOYSA-N 403.483 0.632 30 20 HCED COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546904176 WFXSPKCQPLSOOS-UHFFFAOYSA-N 423.429 0.792 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C)cn2)c1=O 548617449 DZIJJEBHZQKICF-OAHLLOKOSA-N 413.499 0.758 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 555939319 LVTXEUJRGBFBFA-LBPRGKRZSA-N 400.482 0.163 30 20 HCED COCC1(O)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 558041465 PGLVSCGILPAPPI-INIZCTEOSA-N 418.469 0.782 30 20 HCED 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HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 783465209 UMMSPTKSTOPEAH-UHFFFAOYSA-N 406.442 0.992 30 20 HCED C[C@@]1(C2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)NC(=O)NC1=O 785067153 PVKNGPFBLDPMOU-IBGZPJMESA-N 417.397 0.503 30 20 HCED N#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 785386262 JBILMUPHVHETJK-UHFFFAOYSA-N 403.416 0.667 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(C(=O)NO)cc1 788248254 PGRCYGRNKSOBEZ-NSHDSACASA-N 409.468 0.139 30 20 HCED COc1ccc([C@@H](C)C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 794524080 VDFIOKHFRAORGF-NSHDSACASA-N 424.479 0.559 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c(F)c1 802558008 JEEWRSAWMQMLDV-CQSZACIVSA-N 401.373 0.930 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1=O 804265129 HWDDQWODTBOSDG-LSDHHAIUSA-N 408.499 0.747 30 20 HCED NS(=O)(=O)c1ccc2c(c1)C(=NNC(=S)NCCN1CCOCC1)CCC2 811630398 HIBJYWDXIIDEBW-UHFFFAOYSA-N 411.553 0.171 30 20 HCED 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N#Cc1cc(C(=O)N2CCCC23CN(C(=O)CNC(N)=O)C3)ccc1Br 1845459452 LLTRBKGTCJACTQ-UHFFFAOYSA-N 420.267 0.806 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 1846123635 MUWPDCQVVGZWKE-UHFFFAOYSA-N 402.451 0.589 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCCC23CN(C(=O)[C@@H](O)N2CCOCC2)C3)c1 1846829606 XTXRBOAMYSWZQH-OXQOHEQNSA-N 412.490 0.781 30 20 HCED CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847084587 MUQTWDCEZLGGCO-GJZGRUSLSA-N 419.478 0.971 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cccc(F)c2C#N)CC1 29858535 JACQLJNQEHAKHX-HUUCEWRRSA-N 408.499 0.853 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 50173688 DMRCSFYDJZVWJX-LJQANCHMSA-N 404.492 0.829 30 20 HCED N#Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 57404805 DESLVJGKFFXRBM-UHFFFAOYSA-N 404.404 0.940 30 20 HCED C[C@@H]1CN(Cc2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1 409598459 OKZSSKVWKLKTOC-GPMSIDNRSA-N 408.524 0.855 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 409836375 BKECFALJBQHHLP-CMPLNLGQSA-N 402.454 0.463 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN([C@@H]2CCC[C@@H]2O)CC1 426542534 ZGTOSBSGAPXJLT-LZQZEXGQSA-N 413.526 0.946 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1 434934609 BCIFIJWGTHOZJB-CYBMUJFWSA-N 405.524 0.653 30 20 HCED C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 437398301 RZOXCMHQLQHTHF-LBPRGKRZSA-N 412.443 0.403 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCn3ncnc32)CC1 437499188 PEFFWGBYCUSTRO-HNNXBMFYSA-N 415.479 0.701 30 20 HCED COCc1cccc(C=c2sc(=C(C#N)C(=O)NC[C@@H]3CCCO3)n(C)c2=O)c1 440393624 RWFOFBJKMMCGOQ-INIZCTEOSA-N 413.499 0.391 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)n1 442088090 KSQCNKQOLPGTOP-IUODEOHRSA-N 412.425 1.372 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 442904568 CPFRRCJBCQRDFC-UHFFFAOYSA-N 412.415 0.261 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(C#N)c(O)c2)c1 442961515 BJEUMHARWNARGL-NSHDSACASA-N 402.432 0.929 30 20 HCED Cn1c(=O)oc2c(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cccc21 446525132 XKDPDZKXKQRTTQ-UHFFFAOYSA-N 401.423 0.144 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 462020466 MRCTUDXHHJPJFV-CABCVRRESA-N 417.495 1.287 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 464409107 KKFZDPCOKYHWKT-UHFFFAOYSA-N 401.404 0.313 30 20 HCED C[C@H](O)CN(C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[C@H](C)CO 471028843 DSOKHQKRGBSACN-CABCVRRESA-N 416.478 0.798 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 471679513 YXZOOQYOOBUAPH-UHFFFAOYSA-N 411.422 0.587 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)cn1 472638233 PDDJWKQUSJRTEK-YJYMSZOUSA-N 411.443 0.475 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)CC2)c1C#N 473006256 XIWRDYLIFRGUQO-NRFANRHFSA-N 421.461 0.617 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cn1C 480425040 HMWYOGIYAMIMNF-KRWDZBQOSA-N 419.507 0.346 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 489023232 ISDYHNSPDNQWQE-MRXNPFEDSA-N 424.478 0.991 30 20 HCED N#Cc1ccc(C2=CCN(CC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 502554038 NWBNJRHZASSRMP-KRWDZBQOSA-N 402.476 0.660 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)CC2)c1 504517748 FOVAJJHUTIDSTI-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(N2CCOCC2)n1-c1ccccc1C 506962558 PGTSMGQVAYDMMV-HNNXBMFYSA-N 419.507 0.877 30 20 HCED CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 508028676 XAYVGFPIHCPPMH-UHFFFAOYSA-N 420.473 0.320 30 20 HCED C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508923063 SRYSRGLWLDLPHB-KBPBESRZSA-N 414.441 0.890 30 20 HCED C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508944178 BWLINWLPGSRFQL-MRXNPFEDSA-N 424.571 0.357 30 20 HCED Cc1cc(S(=O)(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c(C)s1 510503563 SEVWHTZHJDUYEE-UHFFFAOYSA-N 423.524 0.544 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)NCC)CC2)c1 518805386 LRVWJSKSIVKNAE-UHFFFAOYSA-N 408.524 0.435 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2(C#N)CCN(C)CC2)C1 520246608 YMXJYCMZHUVXIF-HNNXBMFYSA-N 408.528 0.531 30 20 HCED C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 522695002 CADCBRHSKRCURF-CYBMUJFWSA-N 411.480 0.735 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(OC)cc2Cl)c1=O 523476813 OJZMQDOZRDTIPW-UHFFFAOYSA-N 421.906 0.857 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)C1=O 524553525 OBMQBJFKGVFOAI-AWEZNQCLSA-N 400.435 0.995 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 526113488 CHYKJOQXDUBNEN-GJZGRUSLSA-N 404.471 0.433 30 20 HCED CCN1CCN(C(=O)CC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)CC1 531841623 IRTZTAFXHOXBOM-UHFFFAOYSA-N 402.543 0.909 30 20 HCED CCCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 533060448 FOTJITBLXHLOHS-MRXNPFEDSA-N 423.539 0.793 30 20 HCED N#CC1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCSCC1 533757463 VSVYTBSSSBWTCX-UHFFFAOYSA-N 408.505 0.326 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1C 536451367 YAJVEAXZBOLACQ-CVEARBPZSA-N 410.434 0.448 30 20 HCED CC[C@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)C(=O)N1CCOCC1 542346315 IRTRJDVIKZHPFV-HNNXBMFYSA-N 418.450 0.276 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCO[C@@H](C#N)C2)c(Br)c1 549219818 UZRVBQMIKVGFCD-VIFPVBQESA-N 409.283 0.766 30 20 HCED C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCS1(=O)=O 556623577 DGSDKNIAYGVPNC-UFBFGSQYSA-N 400.254 0.951 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 557299256 UPTCGRCFYHQCFH-INIZCTEOSA-N 413.478 0.448 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 559639591 PKEXHXDJUZBENB-UHFFFAOYSA-N 415.313 0.715 30 20 HCED CC(C)OCCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 576747135 NWFYIEFOBYJNAM-UHFFFAOYSA-N 408.524 0.842 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 576783201 YVGOJGUQVLGPAU-KRWDZBQOSA-N 422.493 0.121 30 20 HCED CCc1ccc([C@@H](COC)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)o1 584131822 AAUOONHNPMQEGR-OAHLLOKOSA-N 402.455 0.914 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)NCc1ccc(C#N)cc1F 586862144 LGIIPHHKHWHLKI-WCVJEAGWSA-N 417.393 0.265 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588884664 LLBVDQQSFISTFW-UKRRQHHQSA-N 417.466 0.382 30 20 HCED CCOC(=O)c1ccc(C#N)c(SCCn2cnc3c2c(=O)n(C)c(=O)n3C)n1 591615762 MUGLHJZQDFNVGM-UHFFFAOYSA-N 414.447 0.669 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 608911364 BQTYWDNOMKNYGR-UHFFFAOYSA-N 420.441 0.093 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccccc2Br)cn1 609593600 YYXHUGJYHIFGQX-ZDUSSCGKSA-N 412.269 0.842 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 609992248 JPPRCRDIFZPEPK-OKILXGFUSA-N 409.464 0.623 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(C2CCN(C)CC2)C1 610684288 IMYOVSMWVXUUOW-IRXDYDNUSA-N 412.542 0.737 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCOC[C@@H]2CCOC2)n1 611602453 PZCMKDGAZBKPLT-CYBMUJFWSA-N 401.398 0.991 30 20 HCED C=CCc1cc(C(=O)N2CCOC[C@@H]2C(=O)NCC(=O)OCC)cc(OC)c1OC 619874695 MXKMZBQJFVDTQR-MRXNPFEDSA-N 420.462 0.953 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N2CCSc3ccccc32)C1=O 726042456 JCPSOAWCAYMOEM-UHFFFAOYSA-N 403.416 0.645 30 20 HCED O=C(C[C@@H]1S/C(=N\CCc2ccccn2)N(CC(=O)NC2CC2)C1=O)NC1CC1 726106492 OJJNCWPSZUQUGA-HZSHHLKBSA-N 415.519 0.871 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](OC(=O)CNC(=O)c2ccc(C#N)cc2)C(C)C)CC1 727010049 KJGQPBYJUQLEPB-LJQANCHMSA-N 414.462 0.547 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1CCOC 730804286 ZRLDZSYTEMELFZ-UHFFFAOYSA-N 407.442 0.864 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cocn2)cc1 730917854 JKFRZHBITSBIML-RCCKNPSSSA-N 405.436 0.742 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 731128923 LXLBPOYOHUPQHD-GOSISDBHSA-N 400.479 0.696 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 733150170 DHOCWYXNWWYLOI-GOSISDBHSA-N 400.454 0.462 30 20 HCED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NC(=O)NCc1ccccc1 741339962 KDPTVZNDKPMRHM-HDRCJFCASA-N 414.418 0.861 30 20 HCED C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC(=O)Nc2ccccc21 741344331 XJZMCQAFAUGKHS-OUIWWDRTSA-N 412.402 0.820 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnnn1C1CC1 742851615 USYZQEFFKSXOHL-CQSZACIVSA-N 417.495 0.778 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 744556485 BOCZCBYVKRYELZ-GFCCVEGCSA-N 406.395 0.989 30 20 HCED COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)NO)cc2)c1 746268513 DJLYJOYCUQDBNX-UHFFFAOYSA-N 407.448 0.660 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)Nc3cccc(C)c3C)CC2)CC1 748810662 YNDZLPRYVQJEHQ-UHFFFAOYSA-N 411.550 0.637 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4nc(O)n(C)c4c3)CC2)o1 751862866 KITAZBINCWHGNW-UHFFFAOYSA-N 424.417 0.953 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1C 755550555 WREXLXOIQSUCDF-DGCLKSJQSA-N 419.438 0.625 30 20 HCED CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 757593142 XSFNQAPUSFYHNB-LSDHHAIUSA-N 414.528 0.923 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3c2OCCO3)c1=O 758069996 YSDSHQCUILKYJU-UHFFFAOYSA-N 423.494 0.589 30 20 HCED COc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)Cc1ccc(C#N)cc1 759882972 LKCOEDFYXMMSGE-UHFFFAOYSA-N 403.416 0.939 30 20 HCED CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 763375154 WFSJFPGGDZRWSS-AWEZNQCLSA-N 411.422 0.815 30 20 HCED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 764315230 VUZWIZSVPQQEGX-SJORKVTESA-N 420.535 0.865 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 768722865 SPQDWYRYHXUULM-UHFFFAOYSA-N 412.899 0.775 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2nc(C)cc(C)n2)CC1)c1cc[nH]n1 772544054 KTPPAQSOVAIBLU-UHFFFAOYSA-N 415.454 0.449 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)n2)c(Cl)c1 782821067 CUTOUIDTUUEPOH-LBPRGKRZSA-N 414.809 0.999 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c(Cl)c1 784342474 VDFPVESWWJJTPL-HNNXBMFYSA-N 417.940 0.846 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=S)Nc1ccc(C#N)c(Cl)c1)C2 786084825 ZBEXSLNXFALQFY-UHFFFAOYSA-N 419.898 0.871 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C(=O)NCCNc1ncccc1C#N 787779191 VXXXCCXKMABSRP-HNNXBMFYSA-N 416.482 0.997 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3CCN(c4ccc5nncn5n4)CC3)CC2)cn1 791178846 PXFYOEUJPRNQMU-UHFFFAOYSA-N 417.477 0.956 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(CC(=O)OC)CCOCC2)c1 791220571 UCYQIHHLOMKATK-UHFFFAOYSA-N 408.476 0.688 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC[C@@H]1CCCS(=O)(=O)C1 792034502 JQEMQJNZORORTQ-OCCSQVGLSA-N 400.478 0.593 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@@H]1CCCS(=O)(=O)C1 792035546 TZJSEJAIRWKEBT-OCCSQVGLSA-N 400.478 0.593 30 20 HCED C[C@H](OC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 795817797 SSEZMQSLZIFPPN-XKQJLSEDSA-N 403.460 0.818 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC1 796183410 ADAOFLYOAFUZMG-CYBMUJFWSA-N 409.530 0.155 30 20 HCED COc1ccccc1-n1ncc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c1C 798830092 MWVCRUBMVHWAJD-AWEZNQCLSA-N 416.459 0.769 30 20 HCED C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 802561245 UGETXBKOIWGEQH-CQSZACIVSA-N 417.557 0.056 30 20 HCED COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(CCc2cccnc2)c1=O 802724149 XFGVFBVKSYHDDE-UHFFFAOYSA-N 420.498 0.807 30 20 HCED CC[S@@](=O)CC(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 803474444 ALDYODSQZKQDMY-GDLZYMKVSA-N 420.447 0.767 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)nc1 808229933 VRNHKNSPMFDHJB-LBPRGKRZSA-N 412.372 0.151 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)cc2)c1=O 838169606 YBXJYBGHJLWZSC-CYBMUJFWSA-N 419.478 0.349 30 20 HCED 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CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)cc1C#N 1663819941 MHBRFTLYIXQWDN-CYBMUJFWSA-N 418.468 0.827 30 20 HCED CCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cn1 1710184828 QFSVHQAOVKVDCT-KRWDZBQOSA-N 411.514 0.858 30 20 HCED COc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1712029726 RORXWTJMMRBLDJ-PXAZEXFGSA-N 423.474 0.782 30 20 HCED N#CCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccn3c(O)nnc23)C1 1777956853 CRWSWRNQDJEXFL-FOIQADDNSA-N 412.450 0.866 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)cc1 1777999424 OCYBNNATECVDQM-NNMXDRDESA-N 413.522 0.291 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnn4ccncc34)CCO2)C1 1778974287 XZBWDCRIODQJGM-LAUBAEHRSA-N 413.478 0.746 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1)n1ccnc1 1779100394 VTEAENHAGJIQPH-UCZBCQCSSA-N 419.482 0.803 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1779235316 PTMILWDNIVKMOX-FQEVSTJZSA-N 401.467 0.421 30 20 HCED 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30 20 HCED Cc1cnn([C@@H](C)C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1782515476 HZSGPDQQGVENLZ-RZQQEMMASA-N 402.451 0.354 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COc2cccnn2)C1 1782518044 GYSSDRGRRAIWHB-CSODHUTKSA-N 418.494 0.960 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)C3(C(=O)OCC)CC3)C2)C1 1782916836 OZVGMKNBQOQFLJ-FQEVSTJZSA-N 422.478 0.669 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1C(=O)OC(C)(C)C)CCO2 1783053396 BDKZCBHGHUBLIK-JLTOFOAXSA-N 405.451 0.376 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1783566984 OPTHNGRTFVVCLG-QFIPXVFZSA-N 422.441 0.463 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783757951 BQFVJRUYQGHIEH-NRFANRHFSA-N 421.494 0.338 30 20 HCED C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4ncccn34)C[C@@H]21 1784502362 PCNCUBNKBLMXIB-OVWQWFNUSA-N 413.478 0.914 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3noc(C)n3)[C@H]2C1 1785271868 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423.469 0.874 30 20 HCED C#CC(=O)NC[C@@H]1CCN(C(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1812529159 MJXPJVOCUDUSII-YWZLYKJASA-N 402.414 0.437 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1cccnc1 1812872703 GRGLVOGAGWTUOH-SCLBCKFNSA-N 412.358 0.990 30 20 HCED N#CC1(C(=O)N2CC[C@@H](CNC(=O)CN3C(=O)C=CC3=O)[C@H]2c2cccnc2)CCC1 1813178833 PAEOJPJQDWQXIJ-OXJNMPFZSA-N 421.457 0.706 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1CCc2nc(NC(=O)C[C@H](NC)C(=O)O)sc2C1 1815081060 ZBMONDQCXFLROZ-OSMZGAPFSA-N 424.523 0.691 30 20 HCED C=CCC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n[nH]1 1815673556 SXAMRZIBPOYCQK-OAHLLOKOSA-N 409.512 0.708 30 20 HCED NC(=O)CCC(=O)N[C@@H]1CCc2nc(NC(=O)/C=N/O[C@H]3CCCCO3)sc2C1 1819907550 PSNAYOXCNQMCHU-XQKIYHOTSA-N 423.495 0.850 30 20 HCED C=CC[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN(CCO)CCO)n[nH]1 1822028017 CVVBADHAHKQGQM-DOTOQJQBSA-N 407.515 0.901 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1824490478 PZPAHNJBPIKVOW-SFGWALBWSA-N 421.538 0.295 30 20 HCED O=C1NC(=O)[C@@H](CC(=O)N2CCCC[C@@H]2C2CCN(C(=O)C#CC3CC3)CC2)N1 1825070791 MSYFRURWCVAFHY-IAGOWNOFSA-N 400.479 0.618 30 20 HCED CC(=O)c1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)n[nH]1 1825664479 YIXDOFTYBHHOQS-SECBINFHSA-N 401.404 0.383 30 20 HCED CCc1cc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nn1C 1825667262 PVQLVRZXMYNYJX-JTQLQIEISA-N 401.448 0.753 30 20 HCED COc1nn(C)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1825735135 SFSJFGQSQAFLDL-INIZCTEOSA-N 402.451 0.750 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCCCC3=O)sc2C1 1825867763 JQDATAHWTDTTGM-LLVKDONJSA-N 404.448 0.156 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OCC)cn4)C3)C2)C1 1829663004 DAUFVCVGPLYXRV-NRFANRHFSA-N 416.478 0.912 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)c1ccco1)CCO2 1829814144 PCSKBDBUUUSMRQ-CTNGQTDRSA-N 422.478 0.752 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](O)C(C)(C)C)CCO2)C1 1830629831 PSNDKGGKVQUFOD-JXXFODFXSA-N 413.515 0.651 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@H](NC)C(=O)O)C2)C1 1830638833 AZGUOQHOYBTJTK-LAUBAEHRSA-N 423.510 0.274 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831221589 SSNPABFACZNBMY-PGRDOPGGSA-N 405.539 0.834 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)nc3F)C2)C1 1831387196 ZWTYAVHJJFCBMH-JLTOFOAXSA-N 423.416 0.468 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN3C)C2)C1 1831406128 VIYYPSDOZPCKEZ-GHTZIAJQSA-N 409.527 0.520 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1831427838 WCGQSUXHPZXSJE-QRWLVFNGSA-N 404.467 0.446 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)CN3CCSCC3)CC2)CC1 1833062909 GRKNYHACEJYEBM-HNNXBMFYSA-N 414.641 0.925 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncn(C)n1)CCO2)C(F)(F)F 1833883089 GTLDYJDFCZZAPE-HNNXBMFYSA-N 403.361 0.004 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833897753 ASWWBQAEGDSQRG-SFHVURJKSA-N 418.542 0.573 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnnc1)CCO2)C(F)(F)F 1834031455 PWDQZDAXGPACNV-MRXNPFEDSA-N 400.357 0.665 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncc(F)c3)CCO2)C1 1834352734 LSTCLSLENGOMRZ-YWZLYKJASA-N 407.442 0.882 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448373 SZXHOKKQQMQDAF-DNVCBOLYSA-N 407.471 0.291 30 20 HCED CCN(CC)C[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346602 JFDGHIDFDWIXFS-UWJYYQICSA-N 406.527 0.724 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835693582 GCHPAUVJGRBTLN-AZUAARDMSA-N 420.535 0.457 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835707736 PDWBCYMCWRDNFY-LPHOPBHVSA-N 424.448 0.749 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc3n(n1)CCC3)CCO2 1837097167 KJJLJGAWPNPOHS-OAQYLSRUSA-N 400.479 0.703 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837812070 LZQIFIMODGYMRV-QGZVFWFLSA-N 408.252 0.547 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4ccccn4)C3)C2)c1 1838736283 VPWLYDBBJNXCQS-OAQYLSRUSA-N 409.446 0.594 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc4c(s3)CCC4)C2)C1 1840041303 DMOLHXJXXDAGGI-FQEVSTJZSA-N 418.471 0.395 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CCOC)C2)C1 1840167919 VRTVYTWDGVMACA-OAQYLSRUSA-N 418.494 0.403 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(NC(C)=O)c(O)c3)C2)C1 1840175006 JMHGEYUSRHZCRJ-NRFANRHFSA-N 417.462 0.997 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840398246 VWGMEKFDXKAGLW-FOIQADDNSA-N 421.519 0.489 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)cc1 1840608708 QSBZHWJCRGGRAR-MDPIYQRISA-N 411.458 0.521 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)C2 1841598669 VRNIZPLQJILNTE-CVEARBPZSA-N 423.510 0.504 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844302929 WKBQXBYNRLPIQH-CLBJDOSESA-N 411.455 0.335 30 20 HCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845245274 NOMUFCZKQLBUDX-UHFFFAOYSA-N 422.522 0.690 30 20 HCED N#CCc1ccc(C(=O)N2CCCC23CN(C(=O)c2cc(=O)n4[nH]cnc4n2)C3)cc1 1845411601 PMMVXEDXWWISPM-UHFFFAOYSA-N 417.429 0.614 30 20 HCED Cc1ccc(C)n1-c1c(/C(O)=N/S(=O)(=O)c2cc(C(N)=O)n(C)c2)cnn1C 66003179 SNPCUHGTZJKHNL-UHFFFAOYSA-N 404.452 0.959 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 409566109 UHUPDHHFIJGPGL-UHFFFAOYSA-N 401.577 0.883 30 20 HCED Cn1c(NC[C@H](CO)Cc2cccc(Br)c2)c(C#N)c(=O)n(C)c1=O 428669553 AVPIHYWHXSBLPZ-GFCCVEGCSA-N 407.268 0.981 30 20 HCED CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 430273057 CFKPDWDGLKXPRE-NQIIRXRSSA-N 401.486 0.993 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1Br 432868564 YYZQSMDGMVMABG-UHFFFAOYSA-N 402.270 0.848 30 20 HCED N#Cc1cccc(NCC(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 438606538 RHJSEMSAQLLKON-UHFFFAOYSA-N 419.429 0.947 30 20 HCED CCOc1ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 438876390 UEODDLWFHLHJIN-CYBMUJFWSA-N 424.479 0.463 30 20 HCED CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 439381700 BXEJNKLQPVODNR-INIZCTEOSA-N 414.853 1.319 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 444587333 WNCXXGZKYNZYGO-SFHVURJKSA-N 410.478 1.095 30 20 HCED COC(=O)[C@H](C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 465397219 UZXHNCLQDYKGKO-CYBMUJFWSA-N 415.493 0.003 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccc(C#N)cn2)CC1 470444680 GIVLAYTXGOSGRQ-UHFFFAOYSA-N 414.491 0.670 30 20 HCED CCN1CCN(c2cccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)c2)CC1 473241861 KFLDCERNHAYZNP-UHFFFAOYSA-N 424.509 0.693 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)NCCc1ccccc1 481244537 BCAKNKXCPWOIRM-OAHLLOKOSA-N 414.487 0.700 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H]2CCCN(CCO)C2=O)c(C#N)cn1CCOC 481361996 ZYUMSUFZQMTLPC-AWEZNQCLSA-N 421.454 0.288 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC#Cc3ccccc3)CC2)cn1C 481903940 JBGQGQWGXHLLQH-UHFFFAOYSA-N 401.492 0.796 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3csc(S(N)(=O)=O)c3)C2=O)cc1 486015649 KECMHXRDYKYLMR-CQSZACIVSA-N 404.473 0.798 30 20 HCED CCOCCOC[C@H](O)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500374837 ABJJGJLPQWMHPC-CYBMUJFWSA-N 414.256 0.789 30 20 HCED Cn1c(=O)c2c(ncn2CCN2CCN(c3ccc(C#N)cc3F)CC2)n(C)c1=O 507195675 KIAYHZMCVYRNBZ-UHFFFAOYSA-N 411.441 0.267 30 20 HCED Cc1c(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc(Br)cc1[N+](=O)[O-] 508338235 FELQPLBDFWJNPT-UHFFFAOYSA-N 422.199 0.884 30 20 HCED CCc1nsc(N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 512474586 LYIYCFRWKYIUNU-MRXNPFEDSA-N 405.572 0.915 30 20 HCED COCCNC(=O)CNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 514851312 CUOKZCNREAMRNK-UHFFFAOYSA-N 410.430 0.955 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)n(C)c1=O 520546624 PNZLEIZAXQKVAD-UHFFFAOYSA-N 422.445 0.375 30 20 HCED Cc1cccc(O[C@H](C)C(=O)N2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 522979258 HPIMSVVOOBXAGN-OAHLLOKOSA-N 411.462 0.380 30 20 HCED COCCOc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 527338649 FEEYSMBZDWJXDC-UHFFFAOYSA-N 400.439 0.918 30 20 HCED Cn1ccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 531900609 JWENASVZMVLURH-UHFFFAOYSA-N 402.480 0.574 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCCNc3ccccn3)CC2)c1C#N 550899935 HNOXNEPSPVYOJN-UHFFFAOYSA-N 410.482 0.262 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)C2)c(F)c1 554152449 XTDBKFVCEUXUGZ-SJORKVTESA-N 415.469 0.325 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c1 559720699 WZCKZQWIXVGIJK-UHFFFAOYSA-N 419.485 0.635 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 560990965 SJKMUXFCOXVRJN-MRXNPFEDSA-N 407.473 0.809 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 561830379 MIWHLHLVPZRCAO-MRXNPFEDSA-N 404.442 0.212 30 20 HCED CCN(C(=O)[C@H](C)N1CCN(c2cnccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 562361491 ANZPBPMBWBYRNH-RDJZCZTQSA-N 405.524 0.499 30 20 HCED CCn1cc(CN(C)C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 563651905 QFMDEVRJKRVZGM-SFHVURJKSA-N 408.462 0.650 30 20 HCED Cc1n[nH]cc1CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 564311531 AKXXXJZGWQOYCE-UHFFFAOYSA-N 409.406 0.803 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 564494779 FOCZEABXKXEZHY-MRXNPFEDSA-N 421.519 0.804 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc(OC)n2)c1=O 564782899 ALEZEVHGMSGBJB-UHFFFAOYSA-N 416.503 0.378 30 20 HCED CCc1nn(C)c(CC)c1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 567720459 IIDAANMMRBMINL-UHFFFAOYSA-N 409.494 0.777 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nnc(C3CC3)n2C2CC2)c1 572416978 NZFBWIMQFQZEBD-UHFFFAOYSA-N 400.464 0.957 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1CC(N)=O 576069785 NBHMZICUPZMLRH-UHFFFAOYSA-N 424.935 0.385 30 20 HCED CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1ncc[nH]1 583784353 YYRFRVPFSCVAGN-INIZCTEOSA-N 402.480 0.465 30 20 HCED CN1CCC[C@@H]2CN(C(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC[C@@H]21 587666492 VPWREBBOUUSWQD-MJGOQNOKSA-N 410.522 0.981 30 20 HCED CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 588258437 HAUKULAGEWRAPE-OALUTQOASA-N 411.506 0.766 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610804992 LVHBUNMDGVIOLA-MAUKXSAKSA-N 403.508 0.917 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)CC2)nc1 614258514 JWNDNJSOCPKCFX-HNNXBMFYSA-N 415.479 0.863 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 725865510 HAMUCGBGPXEEJW-UHFFFAOYSA-N 407.496 0.052 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 727752265 HBAVJARMCLDLOC-LJQANCHMSA-N 411.487 0.933 30 20 HCED CC1CCC2(CC1)NC(=O)N(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2=O 731861021 GIWCWUKCZPGTGK-FOCLMDBBSA-N 403.439 0.130 30 20 HCED Cc1cccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)c1C 733565177 SHJIKWICBAJZDU-UHFFFAOYSA-N 400.391 0.514 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ncccn2)CC1 741037093 MUXIVGHHRQBZJT-UHFFFAOYSA-N 415.431 0.038 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCNc1ccc(C#N)cn1 742044886 VDNGXWNWULHPTC-LBPRGKRZSA-N 405.484 0.199 30 20 HCED CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 746020414 UEUMOACSSMEQBJ-ZDQRYUTBSA-N 405.415 0.470 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 747277092 GVFLKVNLTRAYBI-UHFFFAOYSA-N 418.519 0.041 30 20 HCED CN1/C(=C/C(=O)CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)C(C)(C)c2ccccc21 748694064 MQIPWQGPOVESSC-FCNRDGCESA-N 411.462 0.894 30 20 HCED CCO[C@H](CCN(C)C)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753646630 FZTGLCMSOZSFIO-HUUCEWRRSA-N 410.540 0.977 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)NCc2ccccn2)cc1 753764778 WBDMDKFFXKFRJH-UHFFFAOYSA-N 400.460 0.429 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 756310746 YXKJKQQJYYWTSU-GOSISDBHSA-N 416.430 0.080 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)CN3CCCC3)c2)cc1 765366587 OQGXYOMBRUHSAG-SFHVURJKSA-N 411.462 0.929 30 20 HCED O=C(O)c1cn(CCOc2ccc(C=Nn3c(S)nncc3=O)cc2Cl)nn1 766478659 RVTUZHPWZWJWCB-UHFFFAOYSA-N 421.826 0.831 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NC[C@H]1CCCO1 767633416 ASQXPYGJYYBJAP-GZBFAFLISA-N 409.464 0.452 30 20 HCED Cc1cc(CNC(=O)C(=O)Nc2cccc(OCC#N)c2)ccc1S(N)(=O)=O 774017850 CSMHYXJPLIGDFS-UHFFFAOYSA-N 402.432 0.800 30 20 HCED COC(=O)N1CCC([C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 776962268 QLVQSTYSXILCAM-LBPRGKRZSA-N 408.480 0.708 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CCN2CCNC(=O)C2)C1=O 781102619 HXUXYDQAAYGZQO-INIZCTEOSA-N 417.535 0.803 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 783453977 YWIUEEWDNBNMIG-UHFFFAOYSA-N 417.429 0.988 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 784866259 NLIMBIJFWMDMRK-UHFFFAOYSA-N 410.474 0.393 30 20 HCED NC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785024983 UEYCKECHHVWYKF-CQSZACIVSA-N 405.407 0.504 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 787000924 WMFFLXDFYGDFSO-UZLBHIALSA-N 406.483 0.051 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 789808684 CEYIRRGBURZRKT-INIZCTEOSA-N 405.476 0.664 30 20 HCED COCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccn(C)c2)c1=O 794581757 QALUXGNHIQOFSC-HNNXBMFYSA-N 401.488 0.393 30 20 HCED C[C@@H](C#N)OCCN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 801934679 QDEVNEOUDVEBSC-AWEZNQCLSA-N 402.517 0.482 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 805338190 ZISDQNUAKOLRKV-UHFFFAOYSA-N 404.286 0.723 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)C(=O)Nc2cnn(CC#N)c2)s1 807424681 ACTNTRNEVBMNJY-NXEZZACHSA-N 404.456 0.539 30 20 HCED N#CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 807543492 OXSAQPGLNUCDRK-AWEZNQCLSA-N 420.491 0.848 30 20 HCED C[C@H]1C(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCN1Cc1ccccc1 811645281 HBYJRSKGLRYXLQ-ZDUSSCGKSA-N 405.480 0.013 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 814145333 LMWYOMDMZCQJEA-UHFFFAOYSA-N 409.471 0.827 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCOCC2)C(C)C)cc1 878407694 YFMBVRFBEGQVKH-QGZVFWFLSA-N 408.476 0.638 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 900265274 JFKJSYSOTVPTER-GFCCVEGCSA-N 408.436 0.436 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1CCOC 916200609 IKOSVJUNEGWPSW-UHFFFAOYSA-N 405.426 0.640 30 20 HCED CC(C)NC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918250185 FIVCAQRMUXIVGY-JCMHNJIXSA-N 423.495 0.079 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 918891890 NYUCJYNSQQUHNF-UHFFFAOYSA-N 424.479 0.090 30 20 HCED COCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1301484530 PLTOIOKOPXXPPT-HUUCEWRRSA-N 409.512 0.726 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1314531794 XKZZCNHNZSJWIG-CYBMUJFWSA-N 404.496 0.952 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1320275054 WFKVVWIYBLUBMY-RRFJBIMHSA-N 410.471 0.701 30 20 HCED NC(=NOCC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(OCc2cccnc2)cc1 1322303875 NYRWFFPYNVKQRW-MRXNPFEDSA-N 418.475 0.601 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](CO)[C@H](O)C3)CC2)cc1 1326998101 WUEWWSHCDRQGMP-SJLPKXTDSA-N 407.492 0.161 30 20 HCED Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cn1 1361285393 XXBZSSNZZFQTAG-HOTGVXAUSA-N 402.480 0.661 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)ccc3=O)CC2)cc1C 1459127244 MDPDGYGYPCJESA-UHFFFAOYSA-N 414.487 0.870 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC(C)(C)S(C)(=O)=O)[C@H](C#N)C1 1463253713 SQTXPOUJDYOGBP-CYBMUJFWSA-N 423.557 0.974 30 20 HCED N#C[C@H](C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(N)c2ccccc2n1 1515084167 YOIGHITZZVIKSH-YFTGLANFSA-N 405.414 0.941 30 20 HCED CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1516007277 INWKQHLHNLTSCL-UHFFFAOYSA-N 410.482 0.756 30 20 HCED CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1516856226 OEIHIJGFRRVERC-INIZCTEOSA-N 422.486 0.676 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1 1535349600 IGQTXLJKDHGQDY-GDBMZVCRSA-N 400.483 0.659 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2cc(F)c(C#N)c(F)c2)CC1 1556602060 LTZDIBLPLLSFMU-UHFFFAOYSA-N 406.436 0.567 30 20 HCED Cc1ncc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1612435237 ZQCGNFBFYXDMKX-CMPLNLGQSA-N 411.513 0.430 30 20 HCED Cc1nccn1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1612449175 XOKBEXIVAMHUKI-CYBMUJFWSA-N 406.516 0.833 30 20 HCED C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1612881645 QJGPKBDOWGGBFS-AWEZNQCLSA-N 421.465 0.572 30 20 HCED COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCOC1 1619453258 MOYZVWINRSTJSW-YWZLYKJASA-N 415.450 0.746 30 20 HCED N#Cc1cn(CC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c(=O)nc1O 1637969089 NCJWTBTZNHEKLH-ZDUSSCGKSA-N 405.773 0.535 30 20 HCED CCS(=O)(=O)NCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1640947507 MNTXOKGSPFXTDI-UHFFFAOYSA-N 402.480 0.536 30 20 HCED N=C(O)OC[C@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1642831868 KZMFIGGEKLJEKJ-AWEZNQCLSA-N 416.459 0.962 30 20 HCED Cn1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)n1 1696862671 VHUAGLGKSMQSSH-OAHLLOKOSA-N 407.438 0.630 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)n1 1707826557 MDIMWZJYMOCRIU-RTBURBONSA-N 402.478 0.648 30 20 HCED COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cn1 1712465583 XBYIRMWBOZNZSR-UHFFFAOYSA-N 406.450 0.644 30 20 HCED Cn1ncc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1729605970 YYFBQZLAHCYCGG-GUYCJALGSA-N 422.490 0.383 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1748051020 IREHHMDFAIHEIU-UTKZUKDTSA-N 409.494 0.585 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC[C@H](F)C1 1751237400 RGKTWEAPBOSBCM-XDQVBPFNSA-N 400.480 0.755 30 20 HCED CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1765570142 XCFVPVOUKFZXDV-GOSISDBHSA-N 414.558 0.997 30 20 HCED Cc1cc(NC(=O)CC(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CC#N)C3)no1 1778074807 YBPJUFPGAIDYEE-AUUYWEPGSA-N 403.439 0.739 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@]3(F)CCCCC3(F)F)C2)C1 1778222899 LXIFDELKRXWRGV-IRXDYDNUSA-N 402.369 0.822 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779066802 HIFSSPMYPMHUMK-LAUBAEHRSA-N 424.563 0.629 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1779101174 KYEHOCKAIBSAAI-CFFCXZSUSA-N 418.450 0.760 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779366201 XTGDAEZIWBYYPL-BZLZVXNVSA-N 407.515 0.107 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc(OC)nn1)CCO2 1781270731 UUCWFCFAJOIMQW-HXUWFJFHSA-N 418.450 0.438 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccc3n[nH]cc3c1)C2 1782010046 IGXWFGYJGSMZPK-DYESRHJHSA-N 410.430 0.778 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1782646554 UHZQWVDOTVJYKL-FQEVSTJZSA-N 415.519 0.486 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1783197026 DSJNKDDENPPRAD-MLGOLLRUSA-N 405.398 0.092 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C[C@@H]32)C1 1783458845 LTXGUIJVMFKYIA-OTRWWLKZSA-N 413.540 0.260 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784110460 PMRKRFKEODYJEF-OAQYLSRUSA-N 401.463 0.510 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCOC3)C2)C1 1784808685 MUBZKFSJQZPPAV-LAUBAEHRSA-N 406.527 0.915 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)C1 1785462763 CMOKMAKWMWSMDH-HXUWFJFHSA-N 400.406 0.775 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)n3cccc3C=O)[C@H]2C1 1786991336 KCWLXEUCXNISAF-VYMYIBDJSA-N 415.490 0.880 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nnsc3C3CC3)[C@H]2C1 1787680433 ZUNLZSZPYDHLHW-AVGNSLFASA-N 404.448 0.097 30 20 HCED COCc1oncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789344835 IECFCGVYXXBSKD-QRTARXTBSA-N 413.434 0.928 30 20 HCED CCC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]32)COC1 1790740955 DKJMKVWCTGSVRH-ULQDDVLXSA-N 406.527 0.675 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C1(C#N)CC1)C2 1792759411 NVWKAOFMVSFWAO-XQLPTFJDSA-N 406.483 0.793 30 20 HCED N#Cc1cccc(CCC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)CCn2ccnn2)C3)c1 1792835901 QWZROGUTIRWAQW-HATOLVCRSA-N 422.489 0.762 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](S)C(C)C 1793384427 ZPSHZLUXMOLXRO-QMIVOQANSA-N 400.545 0.238 30 20 HCED C#CCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)C(C)(C)n1nc(C)ccc1=O)C2 1793569257 YHCIAPGXZDUIBO-FJIDUMEYSA-N 414.506 0.963 30 20 HCED CC(=O)N(C)CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1793747976 JIYZAEQWFKJUCG-CEQLMSFQSA-N 412.490 0.824 30 20 HCED CN(CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C1(C#N)CC1)C(=O)OC(C)(C)C 1795407936 FLKMJLVBIHSIRV-MIFYACCESA-N 406.483 0.747 30 20 HCED 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510429426 ZNUYOYUYYTWLKP-CVEARBPZSA-N 422.530 0.042 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1C 511343141 JURNLVRFURSOGX-UHFFFAOYSA-N 406.446 0.909 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1 512791096 YKCGBUWTLYSGRB-UHFFFAOYSA-N 423.458 0.681 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 514919836 XREUSAKFYGGNHK-UHFFFAOYSA-N 417.874 0.769 30 20 HCED CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)C2 517206241 GHPLGOJTZQJYIW-HOTGVXAUSA-N 401.442 0.836 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 518939734 ACMIIOUDXQWKTM-UHFFFAOYSA-N 412.450 0.274 30 20 HCED Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)CC2)n1 519674684 VIVHXDYMENRUDN-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)C1=O 520320789 MOMVSPSKWLKCSB-LBPRGKRZSA-N 404.810 0.538 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2occc2C)c1=O 525266108 UMPDTPYZAWIJQY-UHFFFAOYSA-N 405.476 0.113 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)nn2Cc2ccccc2)CC1 534431709 NGICVPDKBOZJLW-UHFFFAOYSA-N 424.505 0.625 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 538350059 CSPJPISXUVUFAS-HUUCEWRRSA-N 411.553 0.080 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)cc1 540037381 GBFXFTTXSPSVMT-UHFFFAOYSA-N 423.535 0.450 30 20 HCED CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 555964791 PWASLSZUIJCDJB-GFCCVEGCSA-N 411.466 1.090 30 20 HCED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 564375381 BBZFLQQLZBWJLF-INIZCTEOSA-N 420.495 0.458 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)c1 573641642 DZCJQXOMVGUOPL-MRXNPFEDSA-N 424.523 0.967 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 580899457 NZEQXFLBEKGMKV-HNNXBMFYSA-N 414.491 0.855 30 20 HCED CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 588766955 QWWIMAMWXGHQEI-LJQANCHMSA-N 404.474 0.905 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)CC2)cc1 604148287 ZVUKMGXHZUDVKG-UHFFFAOYSA-N 421.457 0.705 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 609337712 DSCKRZGHFOTPJE-UHFFFAOYSA-N 416.507 0.562 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 610805003 MQQUCPHKBPRXON-CRAIPNDOSA-N 403.508 0.917 30 20 HCED COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610841020 WIOUKWNEWGHJRJ-CJNGLKHVSA-N 411.480 0.650 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 613156974 CSDQCSYEQZOEBQ-YJYMSZOUSA-N 408.422 0.947 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 615961151 FXMTZDJVEQCQCV-UHFFFAOYSA-N 416.507 0.529 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cnc4c(c3)c(C)nn4C)CC2)c1C#N 616004223 RYMUKWMVIJYYNX-UHFFFAOYSA-N 421.465 0.478 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 619076545 RCNOSGSPECXUQS-UHFFFAOYSA-N 415.454 0.674 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccccc2OCC)C1=O 726043001 IPWJULGOZPPBLP-GFCCVEGCSA-N 403.391 0.932 30 20 HCED CNC(=O)CCOc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 729443265 KJMPMYYRCGRAGY-UHFFFAOYSA-N 416.459 0.879 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 733149531 JAULJHGDYGNKKY-UHFFFAOYSA-N 405.462 0.223 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCO[C@H](CNC(C)=O)C3)ccc2c1=O 735473005 JAZUPXNERCDVJX-CQSZACIVSA-N 402.476 0.848 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1 735924010 ZYPLMPFVBIFKTB-UHFFFAOYSA-N 403.460 0.239 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1 741367571 FGFOQSGSTJODGU-HNNXBMFYSA-N 403.435 0.859 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 743890304 WVQGXCBYQCLHJI-UHFFFAOYSA-N 416.453 0.543 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 744031638 AFYCYFIYWNIINO-QXWDTAIYSA-N 411.414 0.895 30 20 HCED N#Cc1ccc(NCCNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)nc1 746120713 AQLLTJFVDXLGRL-MRXNPFEDSA-N 420.429 0.412 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2cnnc2C1 746600539 BYOBWZAYERAAPD-AWEZNQCLSA-N 402.480 0.774 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nn[nH]c2C1 747990374 WVLVYTAZLSSARN-CQSZACIVSA-N 402.480 0.987 30 20 HCED C#CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)CC1 749873364 FNZIQKXGXNKSJU-UHFFFAOYSA-N 420.354 0.909 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCC2)c1 752435343 KRUJDLDVVBITKY-LTGZKZEYSA-N 407.496 0.260 30 20 HCED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCO2)CC1 752848671 OWMXCQYLOLWCET-HOTGVXAUSA-N 410.544 0.213 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C(N)=O)c2)[C@H](C#N)C1 755548404 QPHUIRQHMXDGKV-QMTHXVAHSA-N 419.413 0.738 30 20 HCED Cn1nc2c(c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCC2 755548793 QZVZRUZROBQKFE-SMDDNHRTSA-N 402.455 0.723 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)C1 757588670 DRMCNGXSFDZZMP-LSDHHAIUSA-N 408.480 0.964 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 758224592 DYWVLIAIGYITOB-FJGOLAJPSA-N 420.495 0.741 30 20 HCED O=C(O)Cn1cc(/C=C/C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1 759085332 VLXSYKBZALQWGV-SNAWJCMRSA-N 406.420 0.280 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)n(C)c1=O 762310482 OYFNPYKNEHFNMS-MRXNPFEDSA-N 422.445 0.296 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 764939883 OZLMTDPTDPEIRD-CQSZACIVSA-N 410.455 0.961 30 20 HCED CC(C)n1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cn1 765145766 NDUYNWCUBZNOEW-UHFFFAOYSA-N 424.486 0.505 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](CC(=O)O)C1 767182341 KDGNQTBKFCLPLM-ZFWWWQNUSA-N 423.491 0.842 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cn1 770455039 OWDFALLFBKPUDL-UHFFFAOYSA-N 402.432 0.677 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 770581185 BPVPTGCPQYMBOL-MLCYQJTMSA-N 409.801 0.927 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 770737162 DJTJYEAXLVABHP-HNNXBMFYSA-N 418.444 0.601 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 773321583 TXHFANTVAOISNP-UHFFFAOYSA-N 405.407 0.740 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CN(c3ncccn3)CCO2)cc1 774609173 SYUOVTXKCBXQRC-INIZCTEOSA-N 416.459 0.450 30 20 HCED C#C[C@H](NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 775795097 LUCLEFVJWIVTGV-OALUTQOASA-N 421.519 0.094 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 781598930 GDUNLORUZVLYGQ-BHTHQVBYSA-N 421.406 0.055 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 783305042 CPBWQFSZUXLBDF-UHFFFAOYSA-N 418.560 0.781 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C(=O)NC)ccc1Cl)[C@H]1CCS(=O)(=O)C1 783480783 UOQRLIIRHQINIV-LBPRGKRZSA-N 411.867 0.287 30 20 HCED C#CCN(C(=O)C(=O)Nc1cnn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 783481910 RIYZZXRXONRYFE-MRXNPFEDSA-N 400.460 0.768 30 20 HCED COCCN1C(=O)c2ccc(C(=O)OCC(=O)NC3(C#N)CCC3)cc2S1(=O)=O 784208619 OWUKWNWNVBMOSB-UHFFFAOYSA-N 421.431 0.197 30 20 HCED C[C@@H](OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NC1(C#N)CCC1 787608878 LHEBULQESYPXNJ-CYBMUJFWSA-N 404.448 0.986 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CCCO1 788042382 WZSWNUPPHSZORB-RTWAWAEBSA-N 412.534 0.920 30 20 HCED COc1c(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc(Cl)cc1C(N)=O 792954624 PZSFVSKMNGYVSH-UHFFFAOYSA-N 416.825 0.881 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 798633052 QFCJRCDOVYLKAD-SJORKVTESA-N 412.446 0.866 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)C1=O 799268301 LEUVTSLZFPUTBR-INIZCTEOSA-N 423.491 0.294 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnc3c2nnn3C)c1 800868366 AVTODLJGZJUSLT-UHFFFAOYSA-N 404.430 0.850 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)ccc1F 805251708 JFFGHXMJJSUQFS-GFCCVEGCSA-N 404.485 0.845 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H]3CSCCS3)CC2)c1C#N 806476506 OWWKLJVETHAWOP-ZDUSSCGKSA-N 408.553 0.214 30 20 HCED N#C[C@@H]1COCCN1S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 809394377 IPPSIZCPUVEKOM-IAGOWNOFSA-N 409.464 0.578 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)C(=O)Nc3cnnn3C)c(C#N)c2N)cc1 810349730 XBLFZGPIGGOSFA-UHFFFAOYSA-N 407.438 0.451 30 20 HCED CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810360230 IAFHGVXJUBINJU-CQSZACIVSA-N 408.480 0.962 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 916875937 WTNSTWVTMGCNAK-DZGCQCFKSA-N 403.435 0.918 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 916891321 SMGHQSJJGONCIH-KBPBESRZSA-N 413.521 0.929 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)COc2cc(Br)ccc21 916891670 XYVACPDDWLSVQN-LLVKDONJSA-N 410.224 0.646 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 919253219 XQIWYTSBSHROPY-JKSUJKDBSA-N 424.523 0.923 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)o1 1116884038 ZITYCAWPQRXAAC-UHFFFAOYSA-N 409.512 0.954 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1116937930 JRYYKVQTKIWCHR-UHFFFAOYSA-N 411.867 0.821 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC2CCC3(CC2)OCCO3)c1=O 1189391883 PAOGWWYRZUKWOH-UHFFFAOYSA-N 416.478 0.354 30 20 HCED CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1251338213 PMZBDJOKUXEOEA-HNNXBMFYSA-N 404.492 0.841 30 20 HCED CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1301818825 ONTXRZCVGBLENB-UGKGYDQZSA-N 423.521 0.988 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1302088389 AFPKSDJFXGBWES-BEFAXECRSA-N 422.555 0.302 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1303367483 UILIIKMMFYLWIT-LJQANCHMSA-N 407.494 0.969 30 20 HCED COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1315784902 OKCSTTDOTJRVIW-QLFBSQMISA-N 414.532 0.632 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@H](C)CS(C)(=O)=O)cn1 1318560927 HZZGPPLVYMPQNK-PWSUYJOCSA-N 401.514 0.404 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(OCCN2CCCC2)CC1 1318965348 ZSYCXITWXUNAGK-HNENSFHCSA-N 405.499 0.799 30 20 HCED Cc1nc2n(n1)CCN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1319065312 OUUCZOVBZXWSNZ-UHFFFAOYSA-N 414.491 0.901 30 20 HCED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F 1319795422 DCDMHYYALBFYGM-UWVGGRQHSA-N 406.386 0.408 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](NC2CCOCC2)C1 1455308597 XKBOLELSGAZYSQ-YJBOKZPZSA-N 420.535 0.985 30 20 HCED N#C[C@@H]1CN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 1471131591 CXVDTZGYLBICBU-GDBMZVCRSA-N 412.899 0.178 30 20 HCED CCn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1515800914 ZWSNWKGGTRLHGJ-MLGOLLRUSA-N 408.463 0.282 30 20 HCED COC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1 1569568913 SWISCEDZIABNAM-SFHVURJKSA-N 417.443 0.876 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1596822822 OAOQOKASMSFWOB-MCIONIFRSA-N 409.516 0.107 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CC2(O)CCOCC2)cc1 1698488996 NXXQSMUWFTYKJB-UHFFFAOYSA-N 412.450 0.206 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1698490142 LSWLNGUKQYBZAQ-OAHLLOKOSA-N 409.512 0.462 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1706071506 SLIPKLUDHMQUAF-GJZGRUSLSA-N 408.528 0.935 30 20 HCED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1741810193 ZTMIKYKOFKAPQF-ZDUSSCGKSA-N 419.511 0.408 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCO[C@@H]1C 1741905635 UPXNJENNWZPCAX-OQMKEHIESA-N 400.505 0.167 30 20 HCED CO[C@@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749224779 KKBNLTMBNDRLKY-SJLPKXTDSA-N 414.514 0.878 30 20 HCED CC(C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750535785 XOUBDMNSVDUVBX-ZFWWWQNUSA-N 408.528 0.128 30 20 HCED C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C 1760688967 QKWWZCXUQKRGQS-QWHCGFSZSA-N 413.548 0.789 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3C[C@H]4C[C@H]4C3)C2)C1 1778871446 PSVCHZMBUUEJHG-AYMMHLMVSA-N 419.522 0.666 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1778880416 ZLIRAMFUZOBAQV-FOIQADDNSA-N 404.467 0.137 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CC[C@@H](C(=O)OC)C3)CCO2)C1 1778964194 FASKDXDQRIXSHR-FSNCLGKMSA-N 422.522 0.979 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1778969503 NQQODCVITQJZJG-UTKZUKDTSA-N 409.527 0.112 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]cc3I)C2)C1 1779545302 STPPOZAFHMMQKH-AWEZNQCLSA-N 414.203 0.091 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)c3nccnc3C(N)=O)C2)C1 1779877829 MFYAXAWKDJWGTL-VFNWGFHPSA-N 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HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)c1 1839422300 NNGOAOHCTZXCAJ-NRFANRHFSA-N 415.421 0.746 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](NC(C)=O)C(C)(C)C)C2)C1 1840166505 MGPWHYMUIUFODK-UGKGYDQZSA-N 421.538 0.797 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(O)nc3O)C2)C1 1840293387 YTZVLPCSIXBZJW-HXUWFJFHSA-N 418.450 0.151 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1)n1cccn1 1840443347 HQKRLPLUYQZJBC-QRWLVFNGSA-N 412.450 0.414 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(F)(F)C(F)(F)C(=O)O)C2)C1 1840840150 BRHMXIRQGZXIND-OAHLLOKOSA-N 424.347 0.211 30 20 HCED CC(C)(C#N)C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1841136712 GEBUXYGGUBGLPE-UHFFFAOYSA-N 404.492 0.993 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC(C)=O)C1 1846007054 BLRARDJXRGPDSO-ZBFHGGJFSA-N 420.510 0.631 30 20 HCED COc1ccc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CNC(=O)N(C)C)c(C#N)c1 1847343733 DNAUBAWBNFXNDW-ROUUACIJSA-N 413.478 0.582 30 20 HCED NC(=O)c1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1 1848298395 DIZXXADHGQQDBC-IRXDYDNUSA-N 410.474 0.695 30 20 HCED N/C(=N/CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NCCCN1CCOCC1 303865015 BMLOLGDGAZGMQO-UHFFFAOYSA-N 420.533 0.491 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 410143034 AOMLUGRIHZMTKO-FGTMMUONSA-N 406.508 0.840 30 20 HCED C[C@@H](Sc1nncn1C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 410183864 DJXURUIGLVHXMW-CYBMUJFWSA-N 420.520 0.700 30 20 HCED CCCCn1c(N)c(N(C(=O)CN2CCO[C@@H](C#N)C2)C2CCCC2)c(O)nc1=O 436122077 AIXDTVCCKALDPL-HNNXBMFYSA-N 418.498 0.831 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)C1=O 440234493 AIPLTFJNJAEJDS-QGZVFWFLSA-N 404.442 0.846 30 20 HCED Cn1cccc(NC(=O)C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1=O 444508041 QRRCSRMNOIQWCK-UHFFFAOYSA-N 419.445 0.712 30 20 HCED CN(CC(=O)N[C@H](C(N)=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1 464282418 VFWMSPJIIHZSBK-KRWDZBQOSA-N 404.423 0.661 30 20 HCED Cc1c([C@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cnn1C 468875077 GSGBYUNSVSADQG-OXQOHEQNSA-N 407.478 0.863 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 470321690 CBMYSYATMZFQLD-GOEBONIOSA-N 416.507 0.744 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cn3c(=O)nc(O)c4ccccc43)CC2)c1C#N 471694659 WARQRRKWJFLOLI-UHFFFAOYSA-N 407.434 0.365 30 20 HCED CC(=O)N1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 472129549 CZILXFKJSHODGI-QGZVFWFLSA-N 404.492 0.696 30 20 HCED COCCOc1ccccc1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 476674429 LECAHPUOSAHZDG-UHFFFAOYSA-N 423.473 0.943 30 20 HCED Cn1nc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 478040949 NNJKDWFUFKYNOU-UHFFFAOYSA-N 404.408 0.347 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 479885599 KHTQMAWRMKLQEE-INIZCTEOSA-N 421.523 0.665 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 487756325 RUMPFBDAGYKAHA-CVEARBPZSA-N 403.545 0.746 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 490381948 WYXNRWYHYQZQHC-CQSZACIVSA-N 417.441 0.027 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 492054432 MWAYSFOHNLRBLX-AWEZNQCLSA-N 409.464 0.183 30 20 HCED C=CCOc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)NCC(=O)NC)c2)cc1 506167236 BNNDRCFUXYATME-UHFFFAOYSA-N 424.457 0.982 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)N1CCC(S(=O)(=O)N3CCCC3)CC1)CC2 506798312 VADISZKELNLYKA-UHFFFAOYSA-N 416.503 0.864 30 20 HCED N#Cc1ccc(CSCC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 508366726 GGNQFLXGLXIKBS-SJORKVTESA-N 409.533 0.094 30 20 HCED COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)C(=O)N1CCO[C@H](C#N)C1 513033913 BCNSTGAEGGEJHH-SNVBAGLBSA-N 407.379 0.188 30 20 HCED CS(=O)(=O)CC1(CNC(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)CC1 514015841 PGLDGEQTOHTEAK-DJJJIMSYSA-N 402.476 0.866 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1-n1ccnc1 518804198 PIAWIEKRWQRLDV-UHFFFAOYSA-N 406.450 0.757 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 519633556 GGUFSGPRKOUJDG-UHFFFAOYSA-N 423.886 0.519 30 20 HCED COC(=O)CN(CCN1CCOCC1)C(=O)CCc1c(C)nc(O)c(C#N)c1C 521357914 BJHNCJFEGVVXLO-UHFFFAOYSA-N 404.467 0.542 30 20 HCED CCO[C@H]1C[C@H](O)C12CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)CC2 524970907 RJPKCHQGFHUYQS-ROUUACIJSA-N 421.519 0.957 30 20 HCED CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC(N)=O 533579457 NXZPMSZGWPEFFW-UHFFFAOYSA-N 401.492 0.120 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)n1 544867194 HDNCFJVYUSGACM-UHFFFAOYSA-N 403.406 0.216 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cc1 550267333 ZTKBDFYVONDBKP-UHFFFAOYSA-N 413.459 0.733 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)CC1 553668927 BCIUOWGZLKQNQH-FQEVSTJZSA-N 405.587 0.770 30 20 HCED N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 554224043 ULAFFNPMUZHTRS-UHFFFAOYSA-N 414.443 0.871 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 563792869 NUHVCNJWLUGJMP-UHFFFAOYSA-N 414.915 0.816 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)C2)nc1 577478191 HAXKGAJPZILHHA-IHYABNQOSA-N 410.430 0.485 30 20 HCED N#Cc1ccc(CS(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 581688789 QGAHCNOEETUEGW-AWEZNQCLSA-N 400.503 0.874 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 583507452 KYZLLRIVYJFWRG-GFCCVEGCSA-N 413.496 0.764 30 20 HCED COc1cccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 586840733 XIBZUXMURAJQRN-KRWDZBQOSA-N 407.430 0.495 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)CC1 588126128 BBZDQZRGTDHXEC-UHFFFAOYSA-N 423.517 0.918 30 20 HCED CC(C)Cn1c(N)c(C(=O)CN2CCN([C@@H](C#N)C(C)C)CC2)c(=O)n(C)c1=O 599181650 KVOCMYIRIUQYKK-HNNXBMFYSA-N 404.515 0.134 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 608990896 AQHWDZROAYYUTN-UHFFFAOYSA-N 406.512 0.599 30 20 HCED N#Cc1ccc(NCC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 610003462 GVUCGECYQVGFPS-UHFFFAOYSA-N 407.478 0.946 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 610767834 ODOYUHLHTDJKMK-KRWDZBQOSA-N 406.508 0.862 30 20 HCED C=CCN(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)[C@@H]1CCS(=O)(=O)C1 619564411 DMQFUBNKDPRPQK-CYBMUJFWSA-N 403.460 0.460 30 20 HCED O=C(COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cccs1 731693397 QODHNXZCWUMGHL-UHFFFAOYSA-N 421.456 0.329 30 20 HCED CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 731732124 QQFVKRBDXACURH-UHFFFAOYSA-N 419.463 0.944 30 20 HCED O=C(CCNS(=O)(=O)/C=C/c1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 731863072 PSGJIKUJZPVBAF-VJUOCIDTSA-N 418.475 0.609 30 20 HCED CC(=O)N(CCC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)Cc1ccccc1 732910121 MNJNLHWDCATDEN-KRWDZBQOSA-N 405.476 0.391 30 20 HCED CCN1CCN(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742669591 LFCURGMWQSWEOK-HNNXBMFYSA-N 407.540 0.257 30 20 HCED Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746328771 ZTSSWPBJYMBYIN-VHEBQXMUSA-N 420.491 0.648 30 20 HCED N#CCn1cc(NC(=O)C(=O)NCCNC(=O)c2ccc(Br)cc2)cn1 746370705 BLOHNGVPUWHFTQ-UHFFFAOYSA-N 419.239 0.654 30 20 HCED COc1cc(C(C)=NNC(=S)NCCN2CCOCC2)ccc1S(C)(=O)=O 747042542 UKKIBZZXMOAABX-UHFFFAOYSA-N 414.553 0.619 30 20 HCED COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)cc1C#N 747496734 QSDCWHSDEHESDV-UHFFFAOYSA-N 407.390 0.806 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2C2CCCCC2)CC1 749667826 ZDLGIOPYJKXWBF-UHFFFAOYSA-N 402.499 0.773 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C(=O)NC[C@@H]2C1 752754753 SUZUITPZQLTWJI-HIFRSBDPSA-N 419.507 0.520 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cccc(OCCOC)c2)c1=O 758052653 ROVKCOSMIBXTFJ-UHFFFAOYSA-N 423.494 0.373 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(COC)cc2)c1=O 758061065 RTKJFVLFGBQGAG-UHFFFAOYSA-N 409.511 0.965 30 20 HCED C#CCNS(=O)(=O)N1CCN(CCOc2ccccc2Br)CC1 768742660 MAKGDDXFCMPMMV-UHFFFAOYSA-N 402.314 0.913 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2cc(C)ccn2)CC1)c1cc[nH]n1 772387943 LWALPVBVUQVVFV-UHFFFAOYSA-N 400.439 0.746 30 20 HCED C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 773955408 RLRMYPFHZPDHNH-LBPRGKRZSA-N 413.883 0.780 30 20 HCED C[C@@H](ON=C(N)c1ccc(NC(C)(C)C)cn1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 774776071 TYKYVZHAFLZVOT-TZMCWYRMSA-N 411.528 0.963 30 20 HCED CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)c2)CC1 782130210 HCSSCVAWAGHXFT-UHFFFAOYSA-N 420.473 0.872 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 783535648 GUNIFUNJZQTIPQ-UHFFFAOYSA-N 419.525 0.409 30 20 HCED CC(C)(C#N)CS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 790020886 OOSUPTIDJIEYMI-OAHLLOKOSA-N 408.528 0.751 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C(C)(C)C2)cc1 791007938 XQJSJDQOWWGMFS-MOLDEKSUSA-N 422.507 0.667 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C(C)(C)C2)cc1 791007943 XQJSJDQOWWGMFS-UFPHYQGISA-N 422.507 0.667 30 20 HCED Cc1oc(C#N)cc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 797888097 YFJYDEBKHSGKCW-UONOGXRCSA-N 410.448 0.811 30 20 HCED COCCN1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 801591082 YEAHPBCPTCARDX-OAHLLOKOSA-N 422.507 0.415 30 20 HCED C#CCN=c1nc(N2CC[C@H](C)[S@](=O)CC2)[nH]c(N2CC[C@H](C)[S@@](=O)CC2)n1 804650647 RODWOCDVDRJLHZ-UMXWXDGESA-N 424.596 0.033 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)[C@H]1CCCO1 809306340 PMHJFAAKIKTNRV-FUHWJXTLSA-N 422.489 0.153 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C#N 809504548 ZOCMQGYVZPUIKT-UHFFFAOYSA-N 424.417 0.835 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812396673 XLAAURQPAIRHOO-GDBMZVCRSA-N 404.496 0.342 30 20 HCED COc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 839303991 WBZOCMLFWDVQES-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCOCC1 912716321 XWOMLXSZDSVREP-MRXNPFEDSA-N 408.524 0.588 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 920200697 LBUPIDHEQRJPST-UHFFFAOYSA-N 409.464 0.136 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1288518217 IOYXNRPSCQFURW-HOTGVXAUSA-N 402.547 0.994 30 20 HCED CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1297309188 IZSPOZKPUBTTSF-KRWDZBQOSA-N 413.482 0.823 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1=O 1340060860 WBTZVKVYLOBJCC-PZPWOCDFSA-N 409.446 0.748 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 1342523082 XPYXHYCNURPROW-QGZVFWFLSA-N 407.492 0.875 30 20 HCED N#Cc1sccc1N1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 1453391315 ZDENATMOFUUDKX-INIZCTEOSA-N 403.489 0.998 30 20 HCED N#C[C@H]1CN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCC2CCCC2)CCN1C1CC1 1454762086 QXCXCBLTTPPPSR-ZWKOTPCHSA-N 403.527 0.906 30 20 HCED Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1cc(CO)nn1 1492905370 UMZCAYNLOWUHOB-UHFFFAOYSA-N 407.482 0.959 30 20 HCED CCN(CC)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1515575313 KUXNLFQMUKRPSD-CABCVRRESA-N 413.548 0.349 30 20 HCED 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N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5ncccn5n4)CCO3)C2)CCC1 1836876094 QNUQTBACXAZTIB-NRFANRHFSA-N 424.461 0.493 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837396635 HTSCDFVWWVNVQY-LAUBAEHRSA-N 410.511 0.443 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C45CC(F)(C4)C5)C3)C2)c1 1838733147 PKPGXHAXIOVJFT-SOAGJPPSSA-N 402.426 0.849 30 20 HCED COC1(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)CCC1 1838742183 WFSGLCJYLNKBEX-NRFANRHFSA-N 416.478 0.916 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCC4)C3)C2)c1 1838904896 ZALXPPVUOWDYTL-QFIPXVFZSA-N 412.490 0.724 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncc(O)c3)CCO2)C1 1840059977 UEPNRNCKFREROR-APWZRJJASA-N 409.508 0.812 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CSCC(=O)O)CCO2)C1 1840193947 PXMFDWILXHHOJN-KSSFIOAISA-N 400.497 0.473 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)CCC1 1840814036 LDJTXTJXCJAPJA-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)COc3ccc(OC)cc3)C2)C1 1840840471 BHBVZYMVDKEIKS-JOCHJYFZSA-N 416.474 0.944 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(C#N)ccc1F 1847784919 CSYJCPTVEULKBX-ZLIFDBKOSA-N 422.482 0.841 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)c1 1848214147 XXWCCSUWYHELNR-ZLIFDBKOSA-N 422.445 0.708 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 8643292 PLVMIRHNZWICNP-SFHVURJKSA-N 400.347 0.542 30 20 HCED N#Cc1ccnc(N2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1 26918560 SIZRAPVJPMCOKO-UHFFFAOYSA-N 406.494 0.604 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 32831488 ZEMRVJZGEKRPKA-GOSISDBHSA-N 423.495 0.956 30 20 HCED CCN1CCN([C@H](C)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 46946081 FSYYCVHIHQNINO-MRXNPFEDSA-N 407.540 0.321 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 55234749 POTKZTYCHIEDMC-UHFFFAOYSA-N 408.524 0.433 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 409593573 IKQPMZUAJXSNMH-SFHVURJKSA-N 408.524 0.917 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCS(=O)(=O)N1CCSCC1 410020446 JXLFOSCHIYBQOH-UHFFFAOYSA-N 412.537 0.703 30 20 HCED CC[C@H]1CN(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 427720740 GQXBOAPEHIIIOA-ROUUACIJSA-N 413.478 0.990 30 20 HCED CC[C@@H]1CN(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CCO1 427858827 MKJCIGNLVRFFLV-MRXNPFEDSA-N 404.467 0.749 30 20 HCED COCCN(C(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@@H]1CCS(=O)(=O)C1 428782284 KVWZCGSECPMWFQ-IAGOWNOFSA-N 422.507 0.068 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H](C)CC#N 438877061 SWSAOUQJOOSFBX-ZDUSSCGKSA-N 424.479 0.463 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)C1=O 440238440 IABXTYCVNAKHMH-MRXNPFEDSA-N 420.491 0.193 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(C)C 440401377 WCYGRJRCMLNQLF-CYBMUJFWSA-N 414.487 0.685 30 20 HCED CC#CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 440609727 FTVLKKSGXSQLKF-UHFFFAOYSA-N 409.464 0.184 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(CCC(C)C)c2C)CC1 441769988 ZARQDEAXGXOAKZ-UHFFFAOYSA-N 404.515 0.623 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 442138325 PTGOVULOOYEVFH-RBZFPXEDSA-N 413.434 0.778 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)C1=O 444423092 IBJHBZLILDQWCZ-LLVKDONJSA-N 413.352 0.348 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCNS(=O)(=O)c1cccnc1 465201706 ZBABSSZPUQSGDR-AWEZNQCLSA-N 415.479 0.149 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468938225 MIESTVLFTRGKBT-HNNXBMFYSA-N 401.492 0.816 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C#N)ccc1Cl 475525630 CSOLGMIRHAQYQX-LBPRGKRZSA-N 419.912 0.526 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(CC(F)F)c1 475679261 LWLNKAFGAXCBRD-LLVKDONJSA-N 404.381 0.486 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 475955359 HWVJKMSVKCLRLL-RTBURBONSA-N 410.474 0.945 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OC 481745273 BWJNLOPIOYEECE-OAHLLOKOSA-N 413.496 0.674 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(N4CCNC4=O)CC3)C2=O)cc1 487163771 SPKJOSQJZUQEKN-GOSISDBHSA-N 410.478 0.858 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3C)c(=O)n2CC)CC1 489168706 DDBBNWZWKIEPCU-UHFFFAOYSA-N 416.572 0.967 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ncoc2-c2ccccc2)CC1 495395358 CVSFXVDXZSEUDZ-UHFFFAOYSA-N 411.462 0.404 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1OC 502001596 KRNPSPDMVZAVEF-UHFFFAOYSA-N 421.482 0.446 30 20 HCED CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 504524858 GKHATHCWGDWOOX-MRXNPFEDSA-N 402.373 0.867 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 508006388 QJOSQTDUOCRJKF-RBZFPXEDSA-N 413.434 0.875 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508953043 SXOOFMWSDNXAIV-UHFFFAOYSA-N 422.497 0.703 30 20 HCED CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCN1C 515326152 UPWQXLIEIUARFE-MOPGFXCFSA-N 411.506 0.968 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 515742683 QUXMWIUNOLCULH-OAHLLOKOSA-N 420.535 0.576 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ncn(Cc2ccccc2)n1 527335729 TZAGWUOBPRWVMB-UHFFFAOYSA-N 411.466 0.339 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 533063995 OVDQZYNZDWROTA-INIZCTEOSA-N 417.510 0.443 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1C 537003290 MBYPFEIRUKCIDI-LBPRGKRZSA-N 411.422 0.149 30 20 HCED Cn1ncc2c(N3CCN(C(=O)CNC(=O)c4ccc(C#N)cc4)CC3)ncnc21 548103312 RWAXNJSJTSZLEL-UHFFFAOYSA-N 404.434 0.314 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)n1 551379726 BISJNUSKBQCETG-CQSZACIVSA-N 409.512 1.264 30 20 HCED CC(C)(C)c1cc(NC(=O)C(=O)NCCn2ncnn2)n(-c2ccc(C#N)cc2)n1 551442222 LSQGXYAMQSZGDM-UHFFFAOYSA-N 407.438 0.783 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@H]2C(N)=O)nc2sccc2c1=O 554993106 TXZJFBROUUZKHG-NSHDSACASA-N 421.504 0.922 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)c1ccc(C#N)cc1 556038863 QSRUFWDAJFJEIR-IAGOWNOFSA-N 411.506 0.891 30 20 HCED C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 559760440 XNIBEZMXWRUSJE-QFBILLFUSA-N 411.506 0.623 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)C2=O)cc1 579517906 ZBUXQSBIHBMDBC-OKZBNKHCSA-N 423.473 0.045 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)cc1 579620410 KOMSFSDEADNTKJ-LWIWOBKBSA-N 417.487 0.079 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cccnc3[N+](=O)[O-])C2=O)cc1 582157298 LJMYMNJHPAOCCD-CQSZACIVSA-N 401.404 0.941 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccc(C(N)=O)cc3F)CC2)c1C#N 583843069 XBEDYDSYGPYENV-UHFFFAOYSA-N 416.438 0.849 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccncc2)c1=O 603793710 XTUNJHNQPKKHEL-UHFFFAOYSA-N 409.515 0.158 30 20 HCED CN(CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)S(=O)(=O)c1cccnc1 608949875 CFPRYVMFRZRSBY-UHFFFAOYSA-N 414.491 0.754 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 610608367 RZYOGRHEMSCPNO-ZUOKHONESA-N 413.434 0.732 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2CC)c1=O 611078616 UNNYFPHGLKFRTP-UHFFFAOYSA-N 417.535 0.438 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 611564625 LXAHKOHPRVYVEV-GOSISDBHSA-N 413.478 0.990 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 612201240 JILMRIXOPHUFJM-AWEZNQCLSA-N 424.479 0.062 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)C1=O 623228382 OJXUCEYTVNEVMD-UHFFFAOYSA-N 404.467 0.651 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(C)C 673984287 QRGHWKGYHNYJQZ-UHFFFAOYSA-N 414.512 0.659 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(NC(=O)C(C)C)cc2)C1=O 726042974 QFLMOJCINTZZKE-UHFFFAOYSA-N 415.402 0.984 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCOCC2)cc1 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412.508 0.481 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc[nH]1)CCO2 1832804514 IANIWMMHWWJMND-NRFANRHFSA-N 420.510 0.782 30 20 HCED O=C(NC1CCN(C2CCN(C(=O)C#Cc3ccc(Cl)cc3)CC2)CC1)C(O)O 1833219765 AWAWAHSAMLBYKA-UHFFFAOYSA-N 419.909 0.574 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C(OC)OC)CC2)CC1 1833388623 MQUWZWRCHPMQQW-WAYWQWQTSA-N 422.526 0.035 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3cnoc3C3CC3)CC2)CC1 1834348464 IOTFQZQDRIJSNI-UHFFFAOYSA-N 414.462 0.825 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)CC2)CC1 1834402420 MRJKWJXAIQMZFJ-APWZRJJASA-N 415.538 0.873 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835128989 VNPLXEHBIPWXJX-DENIHFKCSA-N 423.554 0.910 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(C)noc1N)CCO2 1835623334 DPRGOOYYGVCBPF-GOSISDBHSA-N 410.496 0.554 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)/C=C\C(=O)NC4CC4)CC3)CC2)CC1 1835659344 MXFYKUQNIQJSFC-ARJAWSKDSA-N 413.522 0.697 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835694835 HVBACCTUCPVAQE-ZWOKBUDYSA-N 422.551 0.492 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Nc1cccnc1)CCO2 1835696538 RSKBKEFBRXKUFV-ZRGWGRIASA-N 408.524 0.657 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(N)s3)C2)C1 1837397999 YUGJDFDJMHLZBI-KUHUBIRLSA-N 424.523 0.368 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3cnco3)C2)C1 1837440679 TWJMDHFMOHNEHN-QVQQHXNLSA-N 405.455 0.216 30 20 HCED N#CCCC(=O)N1CCC(OC2CCN(C(=O)CCc3nc(N)n[nH]3)CC2)CC1 1837795324 QQXCJGRBSLFEDY-UHFFFAOYSA-N 403.487 0.622 30 20 HCED COc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)nn1 1838353374 LZXJKHLXPUKWRA-FQEVSTJZSA-N 415.450 0.249 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3c[nH]c(=O)cn3)CCO2)C1 1838633105 WLVBIEJJOKEQPY-OAQYLSRUSA-N 418.494 0.832 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)nn1C 1838906650 XDWKUZRTYAWJSC-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc([N+](=O)[O-])c(O)cc3C)C2)C1 1839809268 JNLLSMFYBQPNCJ-IBGZPJMESA-N 403.391 0.312 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)[S@@](=O)c3ccccc3)C2)C1 1839810280 OVZWVNZDAJPSQC-JVNMPEMCSA-N 404.488 0.272 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C2)C1 1839890746 RCLFRHLOESAKRB-BORJPKMPSA-N 400.422 0.547 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c[nH]nc34)C2)C1 1840159445 DPBZXTPJQBYBON-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840876391 RQRYEXJEJVGFMZ-FIKGOQFSSA-N 410.511 0.443 30 20 HCED N#Cc1ccc(CC(=O)N2CCCC23CN(C(=O)CNC(=O)C(F)(F)F)C3)cc1 1841100576 AQTOEMMKDASWHK-UHFFFAOYSA-N 408.380 0.983 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)C2 1841607423 MHRUGEXRUYXHED-ZIAGYGMSSA-N 416.478 0.787 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)c1cc(=O)nc3cccnn13)C2 1841626405 LUUQJLNCOAVHMV-INIZCTEOSA-N 401.492 0.861 30 20 HCED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)c1 1841957802 HIOPKERZLXIAFB-INIZCTEOSA-N 409.446 0.292 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC2CC2)C1 1847746398 SXAXMQGABWMLNM-HOIFWPIMSA-N 417.506 0.974 30 20 HCED C#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 7020980 LOHPWRMUOIICDN-ZDUSSCGKSA-N 414.867 0.704 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)cc1 10549046 CDUJLXNYOKSRPI-UHFFFAOYSA-N 421.500 0.900 30 20 HCED COc1ccc(NC(=O)Cn2cnnc2C#N)cc1S(=O)(=O)N1CCCCC1 105123957 ODXQELAMFYGELX-UHFFFAOYSA-N 404.452 0.972 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@H](O)COc2ccccc2Br)CCO1 409512230 SIYIMQKIBIMUTG-RYUDHWBXSA-N 420.285 0.248 30 20 HCED Cc1sc(NC(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C#N)c1C 427011199 DCWPWURWFMSMEU-CABCVRRESA-N 412.537 0.263 30 20 HCED C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 427018128 WYRXQRNUWYHYFT-ZDUSSCGKSA-N 416.869 0.861 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1 430505743 MDDMTSZQVCHAMT-UHFFFAOYSA-N 409.512 0.662 30 20 HCED COC(=O)[C@@H]1CCCN2C(=O)N([C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C(=O)[C@@H]12 431597648 VMBOVEFDASFUJL-BRWVUGGUSA-N 410.430 0.875 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 438761848 DLPBIUSISYDEOE-UHFFFAOYSA-N 411.441 1.516 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 440048763 DUWUCAGUCKCKAM-QGZVFWFLSA-N 414.553 0.480 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1=O 440276782 XCZSFRANHSDFDD-INIZCTEOSA-N 410.409 1.067 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cnn1-c1cccc(C#N)c1 443680173 IQLGZASCERAFEJ-YJBOKZPZSA-N 424.461 0.784 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1 445189799 HITWNGQBPKJDGV-HUUCEWRRSA-N 404.423 0.458 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cn1 460622780 XHNGIOBGPIEDDF-HNNXBMFYSA-N 415.413 0.999 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 464204773 GHFFTPTZLMZTFJ-WRFANHODSA-N 401.444 0.652 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1C(=O)c2ccccc2C1=O 465282709 DWEVTUZYRYPFOT-CQSZACIVSA-N 419.445 0.865 30 20 HCED Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnc1C 467471956 LVQPDFIYWXDDDQ-UHFFFAOYSA-N 400.464 1.504 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC[C@]4(CCCCO4)[C@H]3C#N)[nH]c21 468111209 PYIIOUAYPJCOMZ-CWTRNNRKSA-N 400.439 0.749 30 20 HCED C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 469713355 NTCIKVSMZLZGEG-AWEZNQCLSA-N 416.507 0.820 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)CC2)o1 473295278 LEOJWOSVMOBAHN-QGZVFWFLSA-N 401.467 0.921 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN([C@@H](C(=O)O)C(C)C)C2=O)c1 478999849 XZAKYVSJHPJGOQ-JKSUJKDBSA-N 423.491 0.591 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)n2)c(F)c1 481312986 XQHQLCZHVQRUQW-ZDUSSCGKSA-N 407.427 0.896 30 20 HCED COCCO[C@@H]1COCC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484598 TWXBPHHLNUOYFF-CEXWTWQISA-N 416.478 0.779 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)CCO1 490427881 SFXUNOBMGRCXAN-OLZOCXBDSA-N 415.269 0.223 30 20 HCED C[C@@H](CN1CCOCC1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501808416 YWKSLBUBYHDFRZ-INIZCTEOSA-N 421.523 0.295 30 20 HCED Cc1cc(NC(=O)C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)nn1CCC#N 504031794 HZOQWJQFRCZTEU-CQSZACIVSA-N 400.414 0.643 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 508006393 QJOSQTDUOCRJKF-XCLFUZPHSA-N 413.434 0.875 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CC2 514944466 GYQMRMIQSPBYPI-MSOLQXFVSA-N 407.478 0.254 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cccc(F)c2F)c(=O)n1C1CC1 518594111 OGALIOWMLVHZAV-UHFFFAOYSA-N 417.437 0.885 30 20 HCED COc1cc(C#N)ccc1OCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 525616709 IPTXXXHUMAUANV-UHFFFAOYSA-N 400.439 0.459 30 20 HCED N#CCC1(O)CN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 527004699 WGTRCFAJLJBDGM-UHFFFAOYSA-N 410.175 0.367 30 20 HCED C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 531681726 CWVFZUXGCBOIFU-HIFRSBDPSA-N 411.505 0.427 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 532501129 IUKKDTILOPENIR-SNRMKQJTSA-N 420.535 0.985 30 20 HCED CN(C)CCn1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1=O 535229877 PGDYCVZBCPWSOD-UHFFFAOYSA-N 402.476 0.835 30 20 HCED C=CCN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O)[C@H]1CCS(=O)(=O)C1 535323342 SAXPEIIYDYWTPL-YGTYGHESSA-N 411.524 0.935 30 20 HCED COc1cccc(NC(=O)CN(C)C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)c1 536343931 XSMWDUCQXLIVQL-UHFFFAOYSA-N 413.482 0.834 30 20 HCED CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CCO1 536440622 WJSIYBCEBHNKJS-SFHVURJKSA-N 424.461 0.663 30 20 HCED C=CCN(C(=O)c1nccc2c(S(N)(=O)=O)cccc12)[C@H]1CCS(=O)(=O)C1 537732949 AZBFTFOOJBONID-LBPRGKRZSA-N 409.489 0.698 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 540375212 XWEWOUIBDFCBMF-MRXNPFEDSA-N 423.477 0.726 30 20 HCED CN(CCC#N)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 541573032 YLZCQBSXKPQFSJ-CYBMUJFWSA-N 420.413 0.990 30 20 HCED C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccon1 542649649 VZNJAOLOOTYTKK-CQSZACIVSA-N 403.464 0.730 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 548899924 FKYFSRCCCNLEIG-UHFFFAOYSA-N 407.430 0.968 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)c2ccco2)CC1 550514124 PGIUNJKONXNLME-FQEVSTJZSA-N 410.474 0.932 30 20 HCED CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 550897698 VZEOPZFVPFTFKM-UHFFFAOYSA-N 420.473 0.668 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 554435134 JLNTVKVPUZIUMU-DLBZAZTESA-N 411.462 0.295 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cccc4c3CNC4=O)CC2)c1C#N 555057613 QYSNRLHKINOWSN-UHFFFAOYSA-N 410.459 0.854 30 20 HCED C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CCN1c1nccn2cnnc12 555771801 HGUZFNJQJUOHKG-CQSZACIVSA-N 416.445 0.622 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 556386943 JUMYYESTTNOITM-UHFFFAOYSA-N 422.445 0.609 30 20 HCED C[C@@H](O)C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccccc1 567427911 IQVGILRWIFOWRD-GDBMZVCRSA-N 412.494 0.925 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 571213946 WHRWQQBNDOEMQB-DCGLDWPTSA-N 408.418 0.878 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 576526914 YKYYXXXDXNCIJT-HNNXBMFYSA-N 401.448 0.892 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)cc1F 582696947 VEEKVAMPDINLLZ-UHFFFAOYSA-N 400.457 0.131 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NCc3cccc(C#N)c3)no2)cn1 585711616 OOLCGQUIGHRQDT-INIZCTEOSA-N 421.417 0.558 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCN3CCCC[C@@H]23)CC1 585739556 RVPHCHQOVCSWNX-WBVHZDCISA-N 412.494 0.815 30 20 HCED Cn1c(CCC(=O)N2CC(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 590489546 SASYPFQKAGATSU-UHFFFAOYSA-N 417.491 0.509 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 604043176 WREDYRQYCHYEHQ-CQSZACIVSA-N 417.505 0.992 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 609283007 NQRRPPOMUGWZJM-HNNXBMFYSA-N 406.464 0.551 30 20 HCED CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 619849393 XJBOPBIJQZYCLL-XJKSGUPXSA-N 400.480 0.709 30 20 HCED C=CCN(CC=C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 675960672 UDGSZCKBZNKBDP-OAHLLOKOSA-N 423.491 0.571 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCCSC)c2=O)cn1 732563045 QFPPRCVSCJXKBK-UHFFFAOYSA-N 419.576 0.907 30 20 HCED C[C@H](OC(=O)COc1ccc(S(N)(=O)=O)cc1)C(=O)NC1(C#N)CCCCC1 750172735 RHPHVJNGMHRWEO-ZDUSSCGKSA-N 409.464 0.987 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 763713630 JSCXSSGACGOTIQ-MOPGFXCFSA-N 405.520 0.971 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cccc(OCC(N)=O)c1 766326178 QERYGLHXVKWBBH-ZDUSSCGKSA-N 417.443 0.833 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC(=O)N(C2CCCCC2)C1 766793331 VUNUANOKJGABQJ-CYBMUJFWSA-N 404.492 0.775 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCCN1CCCS1(=O)=O 773098813 BOPYULZKPHYUFG-UHFFFAOYSA-N 415.493 0.084 30 20 HCED C#C[C@@H](NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775327604 KDBUSXMEFANLPS-SJORKVTESA-N 422.503 0.556 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 783195372 ZQNZWCZWZMVANQ-KRWDZBQOSA-N 409.508 0.995 30 20 HCED COCCCN(CCO)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 783739751 CPPJIFYUPJVGDD-INIZCTEOSA-N 411.524 0.997 30 20 HCED CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC2(C#N)CCC2)cc1 784195910 NNUXPGFKDHECOD-UHFFFAOYSA-N 409.464 0.859 30 20 HCED N#CC1(NC(=O)COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)CCC1 784219462 PJWAKTXWWAKNIC-CVEARBPZSA-N 401.419 0.864 30 20 HCED CNC(=O)[C@@H](Cc1ccccc1)OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785024945 RSZHFGNFTQQABG-OAHLLOKOSA-N 401.444 0.626 30 20 HCED CS(=O)(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787057293 DPXXQYNCHKCGLD-OAHLLOKOSA-N 408.436 0.591 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1 789793276 HMAKSFZNQFNXHP-UHFFFAOYSA-N 417.491 0.720 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(=O)N(C)C 794612337 QJVMSYYGSLDHBQ-UHFFFAOYSA-N 415.519 0.240 30 20 HCED Cc1oc(C#N)cc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 797888096 YFJYDEBKHSGKCW-KGLIPLIRSA-N 410.448 0.811 30 20 HCED C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 799270680 DAUJTWHPTUPOQI-ZDUSSCGKSA-N 416.521 0.914 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 799283885 SGOGFVNWJXDOEP-OAHLLOKOSA-N 423.491 0.309 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 805059747 CUFWLTNLVTXZPL-LSDHHAIUSA-N 407.515 0.852 30 20 HCED Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 810382294 MPWLOXJFQANTEN-ZCXUNETKSA-N 406.464 0.224 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 815860620 UBFUJJJELLDUAP-KRWDZBQOSA-N 421.519 0.649 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C1 816098763 ABXRWIQVOVMMTE-KBXIAJHMSA-N 402.451 0.813 30 20 HCED C[C@]12CCC(=O)N1[C@@H](C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)CS2 816129003 GGKLZKIYPUMDAL-ABAIWWIYSA-N 410.433 0.725 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cnccc1=O 816278833 SICUMFJPPIGJMB-OAHLLOKOSA-N 418.475 0.940 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2C)c1=O 838172463 FYFQWZZJJOUTML-HNNXBMFYSA-N 415.515 0.519 30 20 HCED C=CCNS(=O)(=O)c1ccc(-c2nc(-c3cn(CCO)c(=O)nc3O)no2)cc1 904862891 JPKHNWMBOAFSJG-UHFFFAOYSA-N 419.419 0.123 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccccc2F)c1 918390176 MQSNGCQTEOQDAT-UHFFFAOYSA-N 403.435 0.897 30 20 HCED CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 919350839 YYQDNBNLPTYTGO-UHFFFAOYSA-N 424.435 0.521 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Br)c(C#N)c2)CC1 1179043432 VVXSLCSNBJSHOJ-UHFFFAOYSA-N 401.286 0.836 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 1319646142 IQLXCVXETNXWJX-UHFFFAOYSA-N 401.515 0.589 30 20 HCED C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N[C@H]1CCS(=O)(=O)C1 1321311656 MTIYPQAJCLXCHV-CFVMTHIKSA-N 419.459 0.146 30 20 HCED CC(=O)N1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1359365698 JTZVIIDZHKIQCJ-BEFAXECRSA-N 403.462 0.930 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCS1(=O)=O 1503110292 VXVBMBPIBVSGSD-INIZCTEOSA-N 423.543 0.027 30 20 HCED CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1517454082 OYHJUZBYRCENAE-ZDUSSCGKSA-N 419.511 0.184 30 20 HCED N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1555995116 YJHYJZVPOWFTAA-UHFFFAOYSA-N 415.498 0.503 30 20 HCED CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CCO1 1596641704 JFUNCRZUZQJPCS-LJQANCHMSA-N 420.477 0.940 30 20 HCED CCn1cnnc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1615732305 MFZBTYHHADWMJX-OAHLLOKOSA-N 412.502 0.253 30 20 HCED CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1617320024 MQRZIRIKAIKPPC-OLZOCXBDSA-N 403.530 0.353 30 20 HCED COC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1638141944 NTCHXIDCZQSAGQ-KRWDZBQOSA-N 417.443 0.851 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710874968 QBYJKHAPRCARND-INIZCTEOSA-N 415.523 0.951 30 20 HCED CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1743785084 YJPONSYEUZIUTC-ZFWWWQNUSA-N 423.499 0.628 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCS(C)(=O)=O 1751209152 YNYCISFHHDATEL-NWDGAFQWSA-N 406.534 0.061 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4ncnn4c3)C2)C1 1778735813 FDWZXUULJUERDP-RMUOZIPVSA-N 424.461 0.031 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(CCN(C(=O)CCc4nc(N)n[nH]4)C3)C2)c1 1778853149 FWMCNGMKVMFXHX-NRFANRHFSA-N 423.477 0.643 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020831 ZXYLYWAGQYGOOJ-MVAZDOBMSA-N 421.542 0.593 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1779335654 PHOHYURDIJMPCQ-JXXFODFXSA-N 405.499 0.365 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/N2CCCCC2)C1 1779359296 ZGHNBRHKTBAMJM-PTOHSFHKSA-N 421.542 0.484 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CCn2cncn2)C3)c1 1780182511 XPJHESZBKGFRMQ-YLJYHZDGSA-N 411.466 0.696 30 20 HCED Cc1cc2nnc(C(=O)N3CCO[C@]4(CCN(C(=O)[C@@H](C)S)C4)C3)c(C)n2n1 1783894537 SBNDHGBOWMHEMD-ACJLOTCBSA-N 404.496 0.503 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4cncn4c3)C[C@@H]21 1784483601 CYBUHXCPJDRYSP-LQJIQPLVSA-N 410.474 0.966 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)NC(=O)NCC)C[C@@H]21 1784494921 MUIQLJYCRZZUEG-OWSLCNJRSA-N 424.542 0.657 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(O)cn3)C2)C1 1784643328 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407.511 0.714 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)C3=NN(C)C(=O)CC3)C2)c(C#N)c1 1841864616 DYTNXDCGMRIRGO-UHFFFAOYSA-N 423.473 0.921 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)[C@@H]2SC(=N)NC2=O)C1 1843406435 DDUFVEYSUCJUBM-AVGNSLFASA-N 408.524 0.565 30 20 HCED O=C(/C=C\C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2)NC1CC1 1844177649 UKBGXWSWXFOETA-IFNYTGRVSA-N 404.467 0.554 30 20 HCED Cn1ccc(=O)cc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1 1844301493 QWPQFWNUMYJICZ-AGKWGAAGSA-N 402.451 0.731 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)NCCNc2ncccc2C#N)cc1 45581967 DVOWLJLJEKFSCJ-UHFFFAOYSA-N 402.480 0.951 30 20 HCED Cc1cccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)N(C)C)CC2)c1C 51649900 MNVBKMYLJHYLQH-UHFFFAOYSA-N 407.540 0.974 30 20 HCED CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC)cc1 64763548 FPGOOSJPYIKPBC-UHFFFAOYSA-N 416.459 0.871 30 20 HCED COC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)[C@@H](C)C2)cc1 409592509 REFPLWYYLYSCHD-WMLDXEAASA-N 408.480 0.453 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2CN2CCOCC2)C1 410411426 OWJPAUBCNONCDA-HOTGVXAUSA-N 410.544 0.758 30 20 HCED CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCN(S(C)(=O)=O)C1 428803288 QKFHYIOYZYUKMC-MRXNPFEDSA-N 402.480 0.648 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 431711593 YKSCOVYZXURIDH-MRXNPFEDSA-N 415.494 0.491 30 20 HCED CN(CC(=O)NCc1ccccc1)C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 441099195 DMYZOSGIMZLMRY-UHFFFAOYSA-N 417.429 0.852 30 20 HCED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 444382439 FYLDETUPEKPJCC-HNNXBMFYSA-N 408.524 0.796 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@](O)(C(F)(F)F)C1 460701843 NCXUWIBCOSQFAY-QGZVFWFLSA-N 422.367 1.302 30 20 HCED N#Cc1ccccc1N1CCCN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463381988 QKTCWKWUROBZMJ-LFGUQSLTSA-N 408.458 0.759 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H]1N1CCOCC1 464624973 RRAFSCZCVKJCSP-PKOBYXMFSA-N 420.535 0.748 30 20 HCED COC(=O)[C@H](C)CS(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 465396017 CKMOXMLILZOFOA-CYBMUJFWSA-N 405.480 0.987 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NC(=O)[C@@H](C)n2cnc(C#N)n2)C1=O 466338856 YIDOXLPPMOCGBT-UMVBOHGHSA-N 404.471 0.794 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2)c1C#N 472164016 ZPHCWGZGAPYBHA-MRXNPFEDSA-N 402.547 0.458 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC 472861818 PQFWARMGOYGCIE-UHFFFAOYSA-N 412.450 0.905 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCCN(CC(=O)N3CCCC3)CC2)cc1 478440120 UXEPYOKEIRTZNA-UHFFFAOYSA-N 404.536 0.962 30 20 HCED CN(CC(=O)NC[C@H]1CCCN(CC#N)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 479894974 GSKZMXDJMGZQQQ-CQSZACIVSA-N 409.468 0.567 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](CN2CCOCC2)C1 482185901 ZCALMWGJYTXHHB-FUHWJXTLSA-N 420.535 0.796 30 20 HCED C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CCN1S(C)(=O)=O 483558875 GJOYGEAPMSWEFH-STQMWFEESA-N 414.509 0.870 30 20 HCED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)N(C)CCC(=O)OC 486996480 HVOAYELJKTZHRU-CQSZACIVSA-N 408.484 0.951 30 20 HCED CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 490040820 DZTHWRIPFKNXRM-CQSZACIVSA-N 422.488 0.703 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC(O)(CC#N)C1 506385759 FYVWKJCEHVGVEV-QGZVFWFLSA-N 423.491 0.638 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)nn1CCC#N 507304927 PPBAYIKXNJKVOO-OAHLLOKOSA-N 401.471 0.840 30 20 HCED COc1ccc(S(=O)(=O)N[C@](C)(C#N)CSC)cc1[C@]1(C)NC(=O)NC1=O 508000994 UNVJARPUVQPHRN-CVEARBPZSA-N 412.493 0.673 30 20 HCED C=CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508794487 KUYCEWYIKMQSSI-DLBZAZTESA-N 404.515 0.685 30 20 HCED Cn1nnc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccnc21 509118057 RENOEAXTHQKICM-UHFFFAOYSA-N 411.447 0.382 30 20 HCED COCc1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)ncn1 517445676 QWTSSYMSQACLMK-UHFFFAOYSA-N 401.452 0.547 30 20 HCED CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(N)=O)c2=O)cc1 524281168 JYUFSPJKEQHMJZ-UHFFFAOYSA-N 424.526 0.644 30 20 HCED CC(C)C(=O)NCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 535948629 LKUMVPYUNARIHR-UHFFFAOYSA-N 421.523 0.736 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2ccc(F)cc2C#N)cc1S(N)(=O)=O 537668544 NJZBZUGXMYWONM-UHFFFAOYSA-N 420.422 0.651 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](S(N)(=O)=O)C1 541580222 XPDABUYICNZCEQ-OAHLLOKOSA-N 411.528 0.705 30 20 HCED COCCOc1cccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 551153196 ZSBFRNPWCLREPB-UHFFFAOYSA-N 423.473 0.943 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(CC(=O)OC)C2)cc1 552457018 DTUZXYHZFAYITI-HNNXBMFYSA-N 409.508 0.766 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)NCc1ccccc1 555026229 VKYUEKSQCIZXSU-CQSZACIVSA-N 417.429 0.899 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 555258862 TWINXXCQTXVSFZ-JKSUJKDBSA-N 412.560 0.623 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CCN1Cc1ccccc1 555762787 MJFICTBWUYNFFC-PMACEKPBSA-N 414.506 0.925 30 20 HCED C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 557440532 CFDHOYWUGYSLPA-ZFWWWQNUSA-N 411.441 0.977 30 20 HCED CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 559521073 GMXFRDITNWTPQO-UHFFFAOYSA-N 422.283 0.540 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCOc4ccccc43)CC2)c1C#N 560926778 FCXVOLWGDPXUGT-INIZCTEOSA-N 422.489 0.931 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)C2)nc1 561099078 BQZHXRQGLZMCQE-NSHDSACASA-N 420.223 0.658 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1S(N)(=O)=O 566388011 NSMFDWXIBIDDKU-GFCCVEGCSA-N 422.488 0.189 30 20 HCED CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 589032941 SBQWEPYKJLHHIE-NUEKZKHPSA-N 400.483 1.211 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ncn(C(C)(C)C)n3)CC2)c1C#N 589437854 WDSIAMRTXJJSEA-UHFFFAOYSA-N 402.484 0.957 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)C2)nc1 590272866 PYKNOAMWWHOMCC-CQSZACIVSA-N 407.386 0.903 30 20 HCED CC1(C)NC(=O)N(CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 603553074 WGBCEQWDTTUJJY-UHFFFAOYSA-N 405.480 0.195 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)COc3ccccc3C#N)CC2)CC1 609267020 SQHLBRVSLJNZDM-UHFFFAOYSA-N 413.522 0.634 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NS(=O)(=O)c3ccc(C#N)nc3)cn2)C[C@@H](C)O1 610194921 VENMIMZCODRPRP-CHWSQXEVSA-N 404.452 0.586 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2nn(C)cc2C#N)CC1 610561102 DWZZBCVQFYUAKF-UHFFFAOYSA-N 407.456 0.825 30 20 HCED CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 619730968 BYZBMMPLRQMBAU-SFHVURJKSA-N 419.441 0.776 30 20 HCED CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(C#N)cc3F)CC1)C2=O 725778574 GCBDSNFRHZOCCX-UHFFFAOYSA-N 400.458 0.793 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1ccccn1 726182316 OPLLAVPNGGBVGY-UHFFFAOYSA-N 422.514 0.309 30 20 HCED C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cn1 728857840 XPWMDVURPAIELR-UHFFFAOYSA-N 411.443 0.792 30 20 HCED N#CCCCCS(=O)(=O)Oc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O 731671100 JRIZFOAGNQHLHX-UHFFFAOYSA-N 415.493 0.972 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCN2C(=O)CCC2=O)c1 733843959 QPFMXDDOYWFLDR-QNGOZBTKSA-N 421.479 0.770 30 20 HCED CN1CCCN(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733978391 ZLSRTIPMENWFCT-UHFFFAOYSA-N 407.540 0.259 30 20 HCED N#Cc1ccc([C@H](OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C(N)=O)cc1 734572653 FTEJHFYIUXMFBO-INIZCTEOSA-N 419.415 0.556 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC3CCOCC3)CC2)cc1 736258941 XTQAEZMBGHGRGM-UHFFFAOYSA-N 405.520 0.783 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 737819531 BWNFELHQROEEMC-UHFFFAOYSA-N 422.463 0.203 30 20 HCED CCNC(=O)N1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742498036 DMMOBFMHOFPIKH-CYBMUJFWSA-N 407.496 0.377 30 20 HCED C#CCN1CCN(C(=O)CN2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)CC1 748810258 UFGHPAIXVNANNR-UHFFFAOYSA-N 418.563 0.857 30 20 HCED COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCNc2ccc(C#N)cn2)c1 750999396 REIGDFQLEWAHND-UHFFFAOYSA-N 418.431 0.917 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccc(C)cn2)c1=O 758082318 DSBXWYPCJCEIDC-UHFFFAOYSA-N 424.526 0.681 30 20 HCED CN(CC(=O)[C@H](C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)C1CC1 759216658 OMTVWRNQDRTAIF-NSHDSACASA-N 402.363 0.882 30 20 HCED N#CCOc1cccc(CC(=O)OCC(=O)Nc2ccccc2S(N)(=O)=O)c1 760624802 IJHMITBKWMLNHY-UHFFFAOYSA-N 403.416 0.961 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN4C(=O)OCC[C@@H]4C3)n2)cc1 763847914 JRNGWOOMTNBXCK-OAHLLOKOSA-N 409.406 0.190 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)CNC(=O)OC(C)(C)C 766830771 FLEWAOPKAHJXDX-CYBMUJFWSA-N 417.470 0.026 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nc(O)c2cnn(C)c2n1 767625842 DSXGOXCZYDGCLS-JTQLQIEISA-N 416.419 0.351 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NN1C(=O)NC2(CCCCC2)C1=O 767811997 ZOOFFSMSKWERNO-GFCCVEGCSA-N 419.463 0.511 30 20 HCED O=C(CNC(=O)c1ccc(Br)cc1)NCCN/C(O)=C1/N=CC=CC1=O 771344661 RCWNERRQNFDMOJ-ICFOKQHNSA-N 421.251 0.822 30 20 HCED CSC[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 776143786 JKTYPQUUEOJEIR-FRRDWIJNSA-N 415.537 0.889 30 20 HCED CC(=NNC1CCS(=O)(=O)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 776791931 GCJJRNWIURUZAP-UHFFFAOYSA-N 415.537 0.598 30 20 HCED Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1ccc(F)cc1 777319033 YQIRHEVJYNLATN-HNNXBMFYSA-N 404.423 0.899 30 20 HCED C=CCS(=O)(=O)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 782963488 KSWAPODJKWHOID-UHFFFAOYSA-N 419.481 0.628 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784555306 MBWLSKYTGNSOGQ-KBPBESRZSA-N 421.450 0.943 30 20 HCED COC[C@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 784949195 VOHBGCWYSYLSBW-HNNXBMFYSA-N 409.464 0.381 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 784953560 GEIWUMZWFGEUNU-INIZCTEOSA-N 405.407 0.615 30 20 HCED C[C@@H](OC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C(=O)NC1(C#N)CCCCC1 785661352 YYJIPZWMGGCLCZ-IAGOWNOFSA-N 420.510 0.441 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 793869999 KXNPQUFABJHEFI-LJQANCHMSA-N 406.483 0.638 30 20 HCED Cc1ncc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1C#N 793989168 QDQQQNRKJWOGOD-CQSZACIVSA-N 410.452 0.956 30 20 HCED COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)N(C)[C@H](C)CC#N 796240847 DQYUEQSVSQJBKN-KGLIPLIRSA-N 418.516 0.950 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1=O 798546160 PJCDXLUKPOGGKM-HRAATJIYSA-N 414.462 0.708 30 20 HCED C=CCN1CC[C@@H](OC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 798565865 MDWYSLPYLFOWEX-GOSISDBHSA-N 422.503 0.970 30 20 HCED CO[C@@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1cnn(C)c1 798773476 JKXTVBDFWVMNTP-MRXNPFEDSA-N 402.411 0.168 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CNC(=O)NCc2ccc(Cl)cc2)c1 813981810 YCMFZMBMNFPWID-UHFFFAOYSA-N 407.839 0.911 30 20 HCED COC(=O)c1ccc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)n1C 814851070 KXGHEIRKEHBCKP-UHFFFAOYSA-N 420.495 0.589 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1 815536690 CGWLYZOFNJIFNX-QGZVFWFLSA-N 400.479 0.575 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)n2)cc1 815819072 MJFQHEHLHKIPIM-UHFFFAOYSA-N 420.495 0.309 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 915785028 AJTPOSYCEBVTDV-UHFFFAOYSA-N 422.445 0.592 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(=O)NCCCC)CC2)c1 917649306 WIWHKIRYKNNCJE-UHFFFAOYSA-N 422.551 0.825 30 20 HCED C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H](C)C2)nn1 949441718 WZPPFKVJBXIRDQ-QYXWGXCQSA-N 403.483 0.482 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O 996692687 VVMGKVGAUHTNSG-OWYFMNJBSA-N 403.479 0.611 30 20 HCED CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1296131694 LHXJZDIAYDRULB-WMZOPIPTSA-N 414.558 0.995 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1303642215 VLHGCEWFAMWNDI-LSDHHAIUSA-N 411.528 0.850 30 20 HCED CC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1305288535 COVKSCIQVSDHOW-JXFKEZNVSA-N 401.515 0.852 30 20 HCED CCOC(=O)C1CCN(C(=O)C[C@@H](C)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1320017685 LBQIODAHPXHZIC-IWHJNQCMSA-N 406.483 0.683 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1324258006 GFHZCAXSYHLMSO-LLVKDONJSA-N 404.370 0.347 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@H](O)C[C@H]1C(N)=O)CCCC2 1460417093 IHZHBVVBGCEMSB-GLJUWKHASA-N 415.494 0.277 30 20 HCED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1512557312 VKNQYBJZTAAODS-MAUKXSAKSA-N 409.494 0.849 30 20 HCED COC(=O)c1ccccc1CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1558541273 KMDOJRNWQOHWOC-UHFFFAOYSA-N 401.444 0.982 30 20 HCED N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCNC(=O)c2ccco2)cc1 1620350636 MWLRNDRJTFETPX-UHFFFAOYSA-N 405.418 0.776 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1706622944 ZVYOKGXLWWWLCB-JKSUJKDBSA-N 403.487 0.008 30 20 HCED CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1711406914 NCUKTZLMMAGZNM-AWEZNQCLSA-N 411.466 0.532 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1711420463 UQOIYARQGBLGOM-ZDUSSCGKSA-N 417.495 0.033 30 20 HCED CC(=O)N1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1722761160 PKUYACGBHCSESD-HZPDHXFCSA-N 401.471 0.216 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4cc(C)ccn4c3=O)C2)C1 1777999815 VQIHNPCEYQUBAX-QFIPXVFZSA-N 408.458 0.860 30 20 HCED CC(=O)O[C@@H](C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1)C(C)C 1778796668 SWDCMAILWANCEI-RETMYHCQSA-N 422.526 0.876 30 20 HCED CC[C@H](C)[C@@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779065201 VKUINRZCSLTEOU-LRXVAGHRSA-N 405.539 0.888 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1779066826 HWFDKBLWHRAPSB-OAQYLSRUSA-N 415.494 0.197 30 20 HCED CC[C@H](C)[C@H](N)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779106297 ZWQWEAQAZPIIQY-WNXBZHFNSA-N 410.515 0.719 30 20 HCED 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HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3nccnc3C)C2)C1)C(F)(F)F 1839893795 QKVBKILPHAETCF-QGZVFWFLSA-N 414.384 0.974 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)c3ccco3)C2)C1 1840167570 ZDGRWNRLMZHDDJ-NRFANRHFSA-N 417.462 0.269 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840285325 MEBXVVSFYYYOSC-ITFLWDOHSA-N 419.812 0.987 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323530 MPCCHAREMPZRMG-HKUYNNGSSA-N 410.540 0.753 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C)C1 1841297991 OKHDUZWEYPZZNU-HUUCEWRRSA-N 409.483 0.114 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1841600278 PVBFOPGXGOESNM-QGZVFWFLSA-N 412.490 0.774 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)cc1 1844293561 QVOMBUQTOIFNKZ-FQEVSTJZSA-N 412.490 0.345 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CNC(=O)C2)C1 1845996197 QNUFTKVEJXVQLM-LSDHHAIUSA-N 420.510 0.795 30 20 HCED CC(C)(CC(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1)NC(=O)OC(C)(C)C 1846194431 FLOAMRZDWLUJIL-UHFFFAOYSA-N 407.467 0.971 30 20 HCED C[C@@H]1[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CCN1C(=O)OC(C)(C)C 1846197463 RIWBVWBNGKJVJT-CABCVRRESA-N 419.478 0.923 30 20 HCED C#CCCCCC(=O)N1CCCC12CN(C(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 1846488176 JRZUGOWLFWOGOC-UHFFFAOYSA-N 404.492 0.849 30 20 HCED CC(C)(C)OC(=O)N(CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC(=O)O)C1CC1 1847349891 SICQIUXKFBOIMC-GJZGRUSLSA-N 405.451 0.676 30 20 HCED COc1ccc(N2CCN(CCCNc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 28743043 FHFHHNXDZURJLB-UHFFFAOYSA-N 412.494 0.588 30 20 HCED C#CCNC(=O)[C@@H](C)Sc1nnc([C@@H](CC)N(C)C)n1CCN1CCOCC1 29483780 QJBATOVUFGMURO-HZPDHXFCSA-N 408.572 0.853 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1cnn(C)c1 56016063 YPJCAKZTGUGCED-UHFFFAOYSA-N 404.496 0.160 30 20 HCED N#Cc1cccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 59334537 ILCHIGCVGBVWMV-UHFFFAOYSA-N 420.535 0.797 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 106030878 VQHUZHMWOYIASX-UHFFFAOYSA-N 423.521 0.917 30 20 HCED COCCN(CCC#N)S(=O)(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 409563750 ZEUCGGJYWQGYFZ-GOSISDBHSA-N 414.503 0.895 30 20 HCED CN1CCC(n2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)n2)CC1 427021754 GRCXGLMICXNIIA-UHFFFAOYSA-N 422.493 0.704 30 20 HCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 435831888 WMWDSKOPNXGASV-HNNXBMFYSA-N 415.450 0.137 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 440981195 HLDAIMHPSDPFCT-QGZVFWFLSA-N 404.467 0.459 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O 442279026 VCBBSLAQNWEOOI-MRXNPFEDSA-N 423.429 0.784 30 20 HCED CCS(=O)(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 444313106 CWLJXIJONOGSFX-ZDUSSCGKSA-N 413.521 0.651 30 20 HCED COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c(OC)c1OC 446530934 KFOCOSSNTWPNSS-UHFFFAOYSA-N 420.466 0.725 30 20 HCED CN(CCCO)C1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460606939 LHGBNBWFXQBVIL-UHFFFAOYSA-N 411.466 0.383 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)CC2(C#N)CC2)CC1 463345239 OGAPSEXVUWQENP-UHFFFAOYSA-N 402.498 0.621 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 465191354 JWUUICXDMOQVHD-CQSZACIVSA-N 414.491 0.949 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 465215288 PRRKUEMRUOLUHB-IRXDYDNUSA-N 401.515 0.925 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1ccc(C#N)cc1Br)C2 466431971 SRZFJUAMNQPNTO-UHFFFAOYSA-N 405.256 0.787 30 20 HCED CCc1nnc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c(C#N)c1CC 467731587 LZWDZNXPDXMHRK-GASCZTMLSA-N 422.555 0.949 30 20 HCED C[C@@H](CC#N)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 469052072 SYKACHLCDBQQDL-AWEZNQCLSA-N 409.468 0.662 30 20 HCED N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CC1 471463891 CFDGXNKFCMZKIC-MAUKXSAKSA-N 408.462 0.971 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3sccc3OC)c(=O)n2C)CC1 480926498 LFDVLJQOHUCQKF-UHFFFAOYSA-N 418.544 0.184 30 20 HCED CCCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C#N)s2)c1=O 482555314 XSAJEDFURNBWLH-UHFFFAOYSA-N 416.528 0.909 30 20 HCED CN(CC(=O)N(CC(N)=O)Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 486124050 OALLDUMNHQXRHU-UHFFFAOYSA-N 400.460 0.693 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 487525850 WDHBHEHPUWPZLU-JKIFEVAISA-N 404.492 0.876 30 20 HCED C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 499337240 KJQKBKWVSOOQKM-OXJNMPFZSA-N 405.499 0.562 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H](C)C1 502009042 OGYSHEZYMHWRGB-FGTMMUONSA-N 405.568 0.844 30 20 HCED Cc1nccnc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 508373843 CHPPMVJFVWVHQA-OAHLLOKOSA-N 414.491 0.672 30 20 HCED C=CCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nnc1N1CCNC(=O)C1 508792899 GCUWBSMOTSFTRG-UHFFFAOYSA-N 416.507 0.852 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 509010002 GMPLMEYHPPXYFM-SJORKVTESA-N 406.531 0.631 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)CCN1Cc1ccccc1 513061826 AXBRAVPUPONSHD-LJQANCHMSA-N 416.445 0.837 30 20 HCED CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)n1 514929305 MQRJJBMBIQIHKH-SNVBAGLBSA-N 415.431 0.699 30 20 HCED COC(=O)CN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 525217681 PJELBXLFVLOKMO-UHFFFAOYSA-N 409.464 0.591 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCNS(=O)(=O)c2cccnc2)c1 533002779 WVTRSFDEHMMNBN-UHFFFAOYSA-N 407.839 0.640 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccccc2OC(F)F)CC1 550985774 KCMISABNTBGFRP-AWEZNQCLSA-N 424.448 0.912 30 20 HCED C=CCCCN(C)C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 555840958 UOESFICAJHTRCR-UHFFFAOYSA-N 423.535 0.889 30 20 HCED CNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 555973979 MIDNYCOYOCASCD-UHFFFAOYSA-N 406.446 0.278 30 20 HCED CCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 558495803 ANMPXFGYVSNKHS-GOEBONIOSA-N 401.398 1.132 30 20 HCED N#Cc1cc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)ccc1C(F)(F)F 558581086 XYIINMSRVFQHQB-SNVBAGLBSA-N 405.354 0.788 30 20 HCED C=CCN(Cc1cccs1)C(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 561839263 MBVKSZVGBRVZOW-UHFFFAOYSA-N 412.493 0.487 30 20 HCED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 564375413 BBZFLQQLZBWJLF-MRXNPFEDSA-N 420.495 0.458 30 20 HCED CN1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 574311156 PQJYWQXURAKFFG-HSALFYBXSA-N 423.517 0.718 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 577271878 FPTPDYZOTBETAJ-OAHLLOKOSA-N 409.494 1.040 30 20 HCED CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N(C)C 581125200 DEBGCWQOJGBSPG-HNNXBMFYSA-N 412.537 0.818 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nc(C4CC4)cs3)CC2)c1C#N 588896221 QABSRIBEMRXELI-UHFFFAOYSA-N 413.507 0.899 30 20 HCED CCN(CC)[C@H](C)CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589244413 IZKQCMVHCOZMKR-CQSZACIVSA-N 402.499 0.919 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc(CC(N)=O)cc2)CC1 604219166 WKVAALABOFCFHE-UHFFFAOYSA-N 422.445 0.739 30 20 HCED C[C@]1(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)NC(=O)NC1=O 608890988 JDMLCZWJHLHMIX-OAQYLSRUSA-N 405.414 0.659 30 20 HCED N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 609449477 NHHOKZMVUQCXEQ-UHFFFAOYSA-N 408.436 0.748 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 611564698 AQMUZLIPWAQGCV-WBVHZDCISA-N 419.507 0.777 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)N(C)C)CC1)C(C)C 612728694 RETDJZFHMPODMJ-KRWDZBQOSA-N 401.577 0.819 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)CC2)n1 612850075 FGBNPWMHQGUJKP-QGZVFWFLSA-N 409.450 0.616 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](n3cncn3)C2)CC1 614418803 AZQWSVQSKLGYRA-HNNXBMFYSA-N 422.449 0.993 30 20 HCED C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)nc1 728804749 NKZSALIWOQMABU-OAHLLOKOSA-N 419.484 0.781 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1sccc1S(=O)(=O)N1CCCC1 731862650 JAESAAWFAQBTOJ-JQIJEIRASA-N 424.504 0.789 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[S@@](=O)Cc1ccccc1 731880979 BKSVXUQOWPEESL-AREMUKBSSA-N 405.501 0.790 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732155229 ZQLRYPKGHIRIOE-VDMFXUGISA-N 406.464 0.304 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cccc(C(=O)NCC(N)=O)c2)c1 734497490 GMAIPNUNUYJHOW-UHFFFAOYSA-N 417.443 0.585 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 735753982 UAPFMSNVBDNDRU-NXVVXOECSA-N 407.452 0.599 30 20 HCED COC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 740508277 SVLBDEONTUKGBA-GICLCMKGSA-N 422.507 0.933 30 20 HCED CNC(=O)CNC(=S)NN=Cc1ccc(OCC(=O)O)c(Br)c1 743442527 ZURMCKPFSIBSRD-UHFFFAOYSA-N 403.258 0.457 30 20 HCED C[C@H](CC(=O)OCc1nc(N)nc(N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 745494847 CEODDJVNIOYJRX-SNVBAGLBSA-N 419.467 0.080 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 747742326 RZGBKYXZOPPXKO-UHFFFAOYSA-N 416.503 0.493 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(Br)c2)c1=O 758052727 RVAMXUBHNGSFLD-UHFFFAOYSA-N 420.263 0.694 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(C)n(CC)c2C)c1=O 758088071 BXCRHKMSVDJTCZ-UHFFFAOYSA-N 412.515 0.247 30 20 HCED C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCSC[C@H]2C#N)C1=O 774641835 CABWRSUQOXTVGW-CXAGYDPISA-N 408.505 0.756 30 20 HCED C#C[C@@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCCO1 775800336 RJFRAJVLVWAZFA-IAGOWNOFSA-N 409.483 0.429 30 20 HCED C#C[C@H](N[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775807760 VEUNNCJIZJWOBR-AYOQOUSVSA-N 421.519 0.805 30 20 HCED CCOC(=O)N1CCN(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)CC1 776708361 SSQGDZFTBGQWMJ-UHFFFAOYSA-N 410.452 0.464 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@](O)(c2ccc(F)cc2)C1 776989693 JHEYLLMHWPZSGL-LJQANCHMSA-N 403.435 0.984 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC1CC1 778492347 NSQZRUFGQFHBTC-HNNXBMFYSA-N 406.508 0.926 30 20 HCED CCOc1c(Cl)cccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 782251848 GTNWFEITLGAZTF-UHFFFAOYSA-N 400.844 0.449 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)c1 783453971 YRMWVHGEPCNQFR-UHFFFAOYSA-N 408.414 0.811 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1C(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 783478441 CHXGGVMBGCRKAP-CQSZACIVSA-N 419.503 0.802 30 20 HCED Cc1nc(Cn2nnc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)c2C)no1 786418963 YOJDSGUTAGLVIR-UHFFFAOYSA-N 401.408 0.625 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)s2)cc1 787356774 ALDDSDLCUDEMIL-UHFFFAOYSA-N 412.514 0.993 30 20 HCED C#CCn1ccc(CN(CC)CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)n1 789332630 UPLOADDSUCAVBK-HNNXBMFYSA-N 415.519 0.963 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ncccc2F)C1)c1cc[nH]n1 789988918 GGWDPZJFPGEPIO-LBPRGKRZSA-N 404.402 0.623 30 20 HCED C=CCOC(=O)N1CCC(OC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 790856378 BTPSWLCPMSWZDH-LBPRGKRZSA-N 400.457 0.417 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](C)(C(N)=O)C1 794364268 YAMMZIKIWVBIJW-LIRRHRJNSA-N 406.508 0.864 30 20 HCED COC(=O)c1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 798438264 XLTJOLXSOZKJAN-FOCLMDBBSA-N 409.420 0.287 30 20 HCED C=CCN1CC[C@H](OC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)C1=O 798564253 GINDNZRXDNLCLG-HNNXBMFYSA-N 410.448 0.472 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 800080317 XHEAFVJWPIIHLA-GJZGRUSLSA-N 420.532 0.707 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1cnnn1C 803248412 WANXIKCFAQPWLF-ZDUSSCGKSA-N 419.463 0.839 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 804010715 UEMALAQUCCGAFM-ROUUACIJSA-N 413.478 0.570 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)C1=O 808406577 JWPNGHKNGIYMCP-CQSZACIVSA-N 408.499 0.795 30 20 HCED N#CCOc1cccc(CC(=O)OCCN2CCN(S(=O)(=O)C3CC3)CC2)c1 810665094 QKCARTAOWBGOHM-UHFFFAOYSA-N 407.492 0.784 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814248852 ARLHKCUMHZIMCN-UHFFFAOYSA-N 421.473 0.907 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cccc2F)c1=O 916199930 OJDXIVBURAJOAG-UHFFFAOYSA-N 419.453 0.960 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 917034665 MKCPVRWFTBXSOZ-IERDGZPVSA-N 412.446 0.783 30 20 HCED CS(=O)(=O)C[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 917184183 MRTIDKLCTDUWKO-CYBMUJFWSA-N 413.521 0.398 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2ccnc2)cc1 918246575 WZMAKWNVNWUGAW-CJLVFECKSA-N 418.479 0.451 30 20 HCED C#CCN1CCC(C(=O)N2C[C@H]3[C@@H](C2)OCCN3C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 961023034 STSXOOPRESPZBA-SWBPCFCJSA-N 401.507 0.337 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CCC1=O 1002542016 SRMBSBGAVSHUTK-YXTCSXCUSA-N 403.479 0.755 30 20 HCED C#CCC1(C(=O)N2CCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1065232175 NQCJVLFLBOZIOV-QKDSSNGWSA-N 402.491 0.574 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)C(=O)NCC(F)(F)F)CC2)c1C#N 1116733358 JNBZUKOEESXVFM-LLVKDONJSA-N 401.393 0.499 30 20 HCED COC(=O)[C@@H](Cc1ccccc1)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1195569335 XCGDGNZLHVNPSW-QGZVFWFLSA-N 411.462 0.877 30 20 HCED C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1288642163 WUHYKTFVTZPJOL-DOTOQJQBSA-N 423.525 0.773 30 20 HCED CO[C@]1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOC1 1299795980 SZCOAMGLEQWFSP-JXFKEZNVSA-N 417.514 0.398 30 20 HCED CC[C@H](CNS(C)(=O)=O)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1312625296 ISJSGDKSLXLEGQ-CVEARBPZSA-N 407.496 0.286 30 20 HCED N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)CC1 1316535673 XMAXWNNDCCNPCZ-HNNXBMFYSA-N 404.500 0.602 30 20 HCED N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1320448365 KTGGBBJKZCBWFG-AWEZNQCLSA-N 420.267 0.710 30 20 HCED C=CCn1c(Cc2noc([C@H]3CCCCS3(=O)=O)n2)nnc1N1CCOCC1 1320960842 AFTOZFGAQJQENY-CYBMUJFWSA-N 408.484 0.914 30 20 HCED Cc1nc([C@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 1323796967 KKROFPFASSECJI-ZDUSSCGKSA-N 418.479 0.433 30 20 HCED CN(C)c1nccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1341775439 JLLBORVGHGWYRD-INIZCTEOSA-N 407.434 0.936 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1([S@](C)=O)CCC1 1360647083 UYUCMXGUHFPPDA-VXLFJPSPSA-N 416.573 0.928 30 20 HCED COc1ccc2c(c1)OC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1447321337 MYCXGVGTHUNBIJ-HNNXBMFYSA-N 401.444 0.965 30 20 HCED Cn1c(=O)[nH]c(NCc2ccccc2S(=O)(=O)N2CCCCC2)c(C#N)c1=O 1472670454 ZFQVGXPRRBGPDJ-UHFFFAOYSA-N 403.464 0.732 30 20 HCED COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1503863423 NNBFBEBEJJFUNH-DYESRHJHSA-N 410.478 0.883 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@H]1OC 1519161391 IMOXXVFGQIGQRL-IAGOWNOFSA-N 420.514 0.932 30 20 HCED C[C@H](CC(=O)N1CCC[C@@H](n2ccnn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1557104582 PXWSPYZXISIMCV-ZIAGYGMSSA-N 402.480 0.959 30 20 HCED COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC[C@](O)(CC#N)C1 1570695514 RZSCKVPWYOWYKL-HNAYVOBHSA-N 423.491 0.105 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1608401849 VPOUEIQLYKJYPB-DYVFJYSZSA-N 412.491 0.683 30 20 HCED COc1ccccc1CCNC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1613804751 TWBNXSKEWIEWIJ-UHFFFAOYSA-N 410.474 0.920 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CCO1 1618690244 NFCNIKDHZHISIQ-SJORKVTESA-N 414.466 0.429 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1680658133 OBPRFAYCDDALGV-UHFFFAOYSA-N 406.512 0.599 30 20 HCED COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1730278154 YSQYICDNOJMKSL-HNNXBMFYSA-N 412.450 0.541 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1730762082 QNRNXPHAKSBUKY-IBGZPJMESA-N 419.507 0.861 30 20 HCED CC(C)(C)[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1750519400 WCKVTCPMDYLZMU-HJFSHJIFSA-N 408.528 0.790 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(=C)CC(=O)OCC)CCO2)C1 1778979752 PSWPCTQDWPNGNM-IERDGZPVSA-N 408.495 0.899 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCNC(C)=O)C2 1779340583 ZMMCNWJXMWMLST-CBGDNZLLSA-N 409.527 0.600 30 20 HCED C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C/N=C/c2ccco2)C1 1779446316 YDHCYSAXLKVVPB-QIYFCSLDSA-N 404.467 0.347 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(O)cn3)CCO2)C1 1781400099 LSTUZNJVXOAAJQ-MGPUTAFESA-N 404.467 0.961 30 20 HCED CCNC(=S)NCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C(C)(C)C#N)C2 1781470638 JYZBIINSNDEISH-AUUYWEPGSA-N 409.556 0.534 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCNC1=N)C2 1781799397 PJWMLIJDJKFRSV-RDTXWAMCSA-N 413.469 0.552 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)C3CC(O)C3)CCO4)c2c1 1782193813 GKBFCUUPNFGRAE-ZGDBYOLNSA-N 409.446 0.649 30 20 HCED C/C(=C/C(=O)N1CCO[C@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1)C(=O)O 1782198772 QORHCKNBAWAGAH-YDTSGJJXSA-N 423.429 0.909 30 20 HCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C1(N3CCN(C)CC3)CC1)CCO2 1783904981 FUIHJEYAGVTVHD-OAQYLSRUSA-N 402.539 0.400 30 20 HCED C#CCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)n1nc(C)ccc1=O)CCO2 1783907888 XGSZRMJEWAYUBA-JOCHJYFZSA-N 414.506 0.920 30 20 HCED CC[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C[C@@H]21 1783963075 PTTLRRWGINFBGE-PLYYQAHHSA-N 411.462 0.799 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)ncn3)[C@H]2C1 1784666506 UHGMYLZAFWSIEA-DARAHFNDSA-N 404.467 0.349 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C[C@@H]21 1786705704 XYNSAUUSTZYENW-ATIWLJMLSA-N 402.495 0.671 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)Cn4ccnn4)[C@H]3C2)c1 1787122283 GFKYTUFUBOPBMP-WDSOQIARSA-N 408.462 0.752 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](O)c3ccco3)C[C@@H]21 1788570786 RHHIAYQFXVCZFF-IAVJCBSLSA-N 406.479 0.866 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789091996 HRVUDZLNERXBLA-QPSCCSFWSA-N 401.467 0.381 30 20 HCED 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CN[C@H](CC(=O)N1CC[C@@H](CNC(=O)C(C)(C)C#N)[C@@H]1c1cccnc1)C(=O)O 1802685767 OMCJKXQWRQOGQH-UXLLHSPISA-N 401.467 0.700 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)C[C@](C)(O)CC(=O)O)CC2)C1 1806007907 NKSUTUKFTWWWOL-UZLBHIALSA-N 408.495 0.872 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)[C@H](C)NC=O)[C@H]1c1cccnc1 1808345822 PMHXKUGGJKUVFM-VJYUMATASA-N 413.478 0.080 30 20 HCED C[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)c3cc4n(n3)CCNC4=O)C2)CC1 1808822250 GFMILBONIJRVIU-CYBMUJFWSA-N 405.524 0.790 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCC(N)=O)[C@H]1c1cccnc1 1812626635 OKBUKDIOVHUELT-FCDDRNRXSA-N 413.478 0.211 30 20 HCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)CN2CCN(C)CC2)[C@H]1c1cccnc1 1813038775 UHNBGVBIDVJBQI-WDYCEAGBSA-N 405.568 0.653 30 20 HCED N#CCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN2CCS(=O)(=O)CC2)[nH]n1 1817120674 ZEPBAIQADKSWMV-HNNXBMFYSA-N 422.511 0.436 30 20 HCED CC(C)(C)OC(=O)CC(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825661302 NYIXTJQDEYOMAA-JTQLQIEISA-N 407.448 0.875 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CSCC(=O)O)sc2C1 1826108827 RWDZEKFWHCXJTI-QWRGUYRKSA-N 411.505 0.911 30 20 HCED NC(=O)NCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C/N=C/c1ccco1)CC2 1828322702 RVHCIEVZMOUTEJ-BCOYQZACSA-N 404.452 0.436 30 20 HCED COCC(=O)N1CCOC[C@]2(CN(C(=O)CCc3ccc(C#N)cc3)CCO2)C1 1829629767 FPHNGUREUQWUFR-NRFANRHFSA-N 401.463 0.594 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCNC3=N)C2)C1 1829781737 COAWWWONPJLYEK-NRFANRHFSA-N 421.542 0.275 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4ncccn4)C3)C2)cc1 1829900672 IRBNLPOBLNYPGG-QFIPXVFZSA-N 421.457 0.661 30 20 HCED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1830525920 FMHCYFWFNWYOOW-NQIIRXRSSA-N 401.463 0.708 30 20 HCED COCc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831217969 GBKHFYLNKMTDAJ-OAQYLSRUSA-N 401.463 0.645 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(F)nc3)C2)C1 1831395932 BYFNLCJYNXBMFI-QRWLVFNGSA-N 405.426 0.329 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)CC)C2)C1 1832447231 QZLKVFMSWQKHKJ-DNVCBOLYSA-N 413.540 0.277 30 20 HCED CC(C)(C#N)C(=O)NC1CCN(C2CCN(C(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1833148024 YRWCCSDPVSBNDU-WAYWQWQTSA-N 415.538 0.943 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1 1833149515 NTXQQDLGYRZNNI-OAHLLOKOSA-N 403.527 0.798 30 20 HCED COc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1833501922 CDZVQOGUUMZGIW-HNAYVOBHSA-N 424.523 0.510 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccnc1OCC1CC1)CCO2 1833625222 JUQOBCWRDZDUQN-NRFANRHFSA-N 414.462 0.854 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3C)CCO2)C1 1834235560 QHFAHPPJBOFAQS-BEFAXECRSA-N 407.471 0.291 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncs1)CCO2 1834461190 TZLDABBHIYFIMW-LLHWWHOWSA-N 420.491 0.072 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)COc3ccccc3)CC2)CC1 1834470112 WEUTXPSPXCOHSM-UHFFFAOYSA-N 413.474 0.725 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1 1835102126 HLRYVNSZERGCCO-JOCHJYFZSA-N 408.458 0.460 30 20 HCED C[C@@H](Oc1ccccn1)C(=O)N1CCOC[C@]2(CN(C(=O)CCC#N)CCO2)C1 1835364597 ZVZIWECGFNZIBC-UZLBHIALSA-N 402.451 0.609 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC[C@@H](C)O1)CCO2 1836600976 BHIWDGWUQFLRMU-DBXWQHBBSA-N 410.511 0.993 30 20 HCED CNC(=O)CC(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1836831989 KDNMJNWKBKZHIN-UHFFFAOYSA-N 421.542 0.403 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1837088376 FQZPPKLYBUGQJN-FXAWDEMLSA-N 422.551 0.854 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837447276 WVCMVZVHAHPLML-DOWHCJKDSA-N 422.526 0.530 30 20 HCED COCCCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837487180 ZMDCUNIYSDXCSN-JOCHJYFZSA-N 422.522 0.568 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(F)cncc3F)CCO2)C1 1838161097 CIRNBDUQXPNMIG-VBKZILBWSA-N 423.416 0.468 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1C 1838271380 FNRDSQYRMCSMHP-OAQYLSRUSA-N 400.479 0.466 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnnc3O)CCO2)C1 1838366861 YWDPVAJYRBODRG-KSSFIOAISA-N 410.496 0.207 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838906637 WCCJFYYGQAOPOO-FQEVSTJZSA-N 410.434 0.071 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)ccc1O 1838973117 OFRYKONPAFMEJA-OAQYLSRUSA-N 415.446 0.775 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CCO2 1839413498 BMVBWMAUPKIMJH-GOSISDBHSA-N 404.379 0.284 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4ccoc4c3)C2)C1 1840044431 HPXRBTNTJUUEHV-NRFANRHFSA-N 412.398 0.591 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCC[C@H](C(=O)OC)C1)CCO2 1840148905 YRTCMMPWJLIKGA-WWMYMODYSA-N 408.495 0.998 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1840161303 KOCRLRAMADSDJG-DJJJIMSYSA-N 422.482 0.862 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)OC)CCO3)c1 1840209933 BSVZNILKNFXCHG-YCRPNKLZSA-N 417.462 0.672 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cc(C)on3)CCO2)C1 1840366073 SIUYQNTUBIMAER-OXQOHEQNSA-N 405.451 0.020 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1ON=C(c3ccccc3)O1)C2 1841054913 RYNTZDYCPBYGNB-VFCOFNOGSA-N 424.457 0.783 30 20 HCED CC(C)[C@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841625534 NDVJXIVILLIAMO-ZFWWWQNUSA-N 405.524 0.753 30 20 HCED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)CC[C@@H](N)C(N)=O)C2)c1ccccc1 1844335294 YMSABHGSATYMGP-RBUKOAKNSA-N 410.518 0.980 30 20 HCED O=S1(=O)CC[C@@H](/N=C(\O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 14252094 NNNWOOWWXXIQNR-CYBMUJFWSA-N 411.505 0.991 30 20 HCED CCOC(=O)Cc1csc(NC(=O)Cn2cc(C(=O)OC)cc(C#N)c2=O)n1 31805621 PXVHEOMRNRLGIC-UHFFFAOYSA-N 404.404 0.707 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCNC(=O)C(C)C)cc1 48918637 YOSFDSGENXBLJL-UHFFFAOYSA-N 410.496 0.320 30 20 HCED O=C1NCCN1c1cccc(/C(O)=N/S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 65764016 KMUTZHGFXITCCS-UHFFFAOYSA-N 413.419 0.885 30 20 HCED C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)NCc1ccco1 109352933 MAULJAHLMGLLOV-ZDUSSCGKSA-N 404.448 0.906 30 20 HCED COC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NS(=O)(=O)N1CCO[C@H](C#N)C1 409482067 DYVYIXMVIOOOSX-CJNGLKHVSA-N 410.427 0.450 30 20 HCED C[C@@H]1CN(Cc2ccccc2CNS(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 409574077 ZOPVVDFOQVKRAL-MDZRGWNJSA-N 408.524 0.855 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 437035977 LIPUXHBIVMYJLJ-NVXWUHKLSA-N 418.498 0.717 30 20 HCED C[C@@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 442039577 BXIQBIZNNBQEMV-YBOJIHHZSA-N 407.883 1.561 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)Cn2c(C)nc(C#N)c2C#N)CC1 442911619 JOVFVGRGEFTEQW-UHFFFAOYSA-N 417.451 0.073 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(c3ncnc4sccc34)CC2)n1 444506622 IURRECHVYDXBGO-UHFFFAOYSA-N 410.463 1.089 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 446528970 XSXXDGDEJUOYDF-HOTGVXAUSA-N 405.476 1.000 30 20 HCED CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460161020 COVZQMASCRSYOD-CHWSQXEVSA-N 419.515 0.285 30 20 HCED CCOC(=O)C1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460593463 SRRJYVRXFUKFEL-UHFFFAOYSA-N 410.434 1.188 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCCN2C(=O)Cc3ccccc32)cn1 460598574 MXXNYNADKODQHS-UHFFFAOYSA-N 415.413 0.783 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(S(N)(=O)=O)c1 465287712 XHOFLAWRLRFJQC-CYBMUJFWSA-N 415.479 0.416 30 20 HCED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)c1=O 467899825 QMEYLTCOMIYRSW-UHFFFAOYSA-N 424.461 0.750 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 482432544 DMDALCMAMQOFJU-GFCCVEGCSA-N 420.520 0.734 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCOCC2)CC1 482492721 DDAAJCYARIZHGI-HNNXBMFYSA-N 406.508 0.548 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 490004573 MOWKRHFDYSGDQB-WBVHZDCISA-N 404.492 0.289 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCOC)c(F)c2)CC1 491204491 ZSWZYNWCYQLXGL-UHFFFAOYSA-N 422.457 0.236 30 20 HCED CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)ccc1F 506566298 XCYAPUNCSGHZNJ-UHFFFAOYSA-N 400.407 0.869 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCC(=O)OC 514523412 XLWNWLXWYAZUKR-UHFFFAOYSA-N 414.487 0.287 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(SC)cc2)c1=O 522284171 ORSSWZDVIRESDL-UHFFFAOYSA-N 403.529 0.917 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)cc(F)c2)c1=O 535139682 YAOUSYNNMFJDEB-UHFFFAOYSA-N 405.426 0.640 30 20 HCED CC[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1O 536371306 SZUYMSSELNLIKY-RDJZCZTQSA-N 406.508 0.094 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 538262672 GORJTRAQXFQZHE-HNNXBMFYSA-N 411.553 0.034 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 538589965 GHLOZFOEIQPHGZ-UHFFFAOYSA-N 422.507 0.608 30 20 HCED COc1cc(C#N)ccc1OCC(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 539907162 ORKMHZSAMMPKTR-UHFFFAOYSA-N 419.459 0.961 30 20 HCED CC(=O)N1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 550483016 GSTGPUKQFXBMBH-QGZVFWFLSA-N 415.469 0.909 30 20 HCED COc1cc2ncn(CCCC(=O)NCCn3cnc(C#N)n3)c(=O)c2cc1OC 552673166 VJXKWIHKAXQQHH-UHFFFAOYSA-N 411.422 0.473 30 20 HCED C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 555267681 ACBBDFHTJDTCQZ-UHFFFAOYSA-N 418.542 0.950 30 20 HCED CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 555973273 AJAKPXUOSNEVNY-UHFFFAOYSA-N 420.473 0.668 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)C[C@H]1O 558108013 UINIXBURLWOUEN-ZWKOTPCHSA-N 402.495 0.493 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC(C)(C)N3CCCCC3)CC2)c1C#N 559384683 YKMRYTHLMQMGTD-UHFFFAOYSA-N 415.542 0.630 30 20 HCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)c1 560053313 WOICPMQEGKMQIE-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 571207727 FWWMDNWLMPVFKP-RDTXWAMCSA-N 413.482 0.895 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 578816820 KUQQVHMLXPCNQQ-KRQILSMLSA-N 417.535 0.798 30 20 HCED COC(=O)CC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 581900079 GALCUPSTPJMOMM-AWEZNQCLSA-N 423.491 0.701 30 20 HCED N#Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 604007746 BKVJADGQEVXUJC-UHFFFAOYSA-N 413.459 0.729 30 20 HCED COCCN1CCC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 609609955 GKXXWJRKRREFMK-SJLPKXTDSA-N 413.478 0.990 30 20 HCED C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[S@@]1=O 610071515 MOQOBMZQVHAVQK-RXBISOJRSA-N 409.533 0.938 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN1CCCN(C)CC1 610807460 SGTYCZWGDWMTGI-INIZCTEOSA-N 407.540 0.369 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 613307809 JLYYIVOZBDJHNH-AWEZNQCLSA-N 407.430 0.999 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCOc3cc(OC)ccc32)CC1 672859156 FHIQBOFNVHKWBE-QGZVFWFLSA-N 416.478 0.081 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 678683652 JNQFQRJZGYYACX-MSOLQXFVSA-N 400.479 0.599 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)c(OC)c2OC)CC1 727947182 LAKCKNGYKCWSIL-UHFFFAOYSA-N 403.435 0.639 30 20 HCED N#C[C@H](C(=O)CCN1CCCC1=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 727954188 MEKOITROKSWDAF-QGZVFWFLSA-N 413.434 0.965 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CCOC 731494693 CMAGZSDTCXZXQL-UHFFFAOYSA-N 419.478 0.269 30 20 HCED N#C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN1Cc1ccccc1 733946032 CXKYXTGNSFZBDC-QGZVFWFLSA-N 411.487 0.721 30 20 HCED CN(CC(=O)NCc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 737692581 FXAKIAOKYDARDH-UHFFFAOYSA-N 400.460 0.500 30 20 HCED COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N(CC#N)CC(=O)OC)c1 741157513 WDSZSADKBBOFMG-WAYWQWQTSA-N 412.420 0.577 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCn2cccn2)c1 743893710 ABGFJCVLCUWFQU-CJLVFECKSA-N 418.479 0.451 30 20 HCED CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 746989213 IBLLQIOMMKCTAJ-UHFFFAOYSA-N 401.448 0.665 30 20 HCED C#CCN1CCN(C(=O)CN(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 748824709 NXXVFOOXZPWNKR-HXUWFJFHSA-N 414.506 0.518 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 753353101 ABJDDHKIXMKPHU-UHFFFAOYSA-N 401.510 0.774 30 20 HCED CCn1c(S)nnc1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 765469055 LNOFNLWFKHAWFP-NSHDSACASA-N 408.509 0.484 30 20 HCED COC(=O)C1=NOC2(CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)C1 771780528 YLPMFHGCDIOJIL-QGZVFWFLSA-N 405.499 0.463 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cc[nH]n1 772246183 KKLPTAJRPJSQEM-UHFFFAOYSA-N 420.514 0.180 30 20 HCED C#C[C@H](NCC(=O)N(CCCC)c1c(O)nc(=O)n(CCC)c1N)[C@@H]1CCCO1 775791859 XJRMRPLTPSOHST-GJZGRUSLSA-N 405.499 0.845 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 786648223 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408.440 0.238 30 20 HCED CC(=NNS(=O)(=O)c1ccc(F)cc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814875658 QRCMLWNHHGSDLU-UHFFFAOYSA-N 413.452 0.787 30 20 HCED N#CC1(CC(=O)OCC(=O)N2CCN(C(=O)COC(=O)CC3(C#N)CC3)CC2)CC1 815414141 RLXIWNPRBRPCOT-UHFFFAOYSA-N 416.434 0.131 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCN(CC(F)F)CC1 819927370 YTPFJHZJIMYKGB-UHFFFAOYSA-N 400.451 0.818 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 914879885 VTBIDHOSIXDWMR-SFHVURJKSA-N 405.520 0.925 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2F)c(=O)n1CCOC 916198590 QCRZWKSSOWLDMH-UHFFFAOYSA-N 423.441 0.100 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2nnc3ccccc3c2=O)cc1 917036332 ZBUJPRAIAUVGFZ-KRWDZBQOSA-N 405.414 0.868 30 20 HCED CS(=O)(=O)Nc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 917187381 FEDXDMWQTWQQRT-UHFFFAOYSA-N 422.488 0.413 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cnc(C)s2)c1=O 917763561 RKYVJONEHZBCHR-UHFFFAOYSA-N 402.501 0.223 30 20 HCED 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405.462 0.756 30 20 HCED N[C@@H](Cc1cscn1)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C#CC(=O)O)[nH]n1 1817980644 PLHIDAVMEKQSNB-JSGCOSHPSA-N 416.463 0.516 30 20 HCED N#CCCC(=O)N1CCC([C@H]2CCCCN2C(=O)CNCP(=O)(O)O)CC1 1826802734 IJCZATHAZPQIQP-OAHLLOKOSA-N 400.416 0.635 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)C[C@H](N)c4cccnc4)C3)C2)C1 1829667283 XZBPWIGQBURTBS-UGKGYDQZSA-N 414.506 0.894 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)c4cn[nH]c4)C3)C2)cc1 1829902638 WGJBGHKSBZMNBG-NRFANRHFSA-N 409.446 0.594 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1830057323 BWYOVZJLYLSCMU-OAQYLSRUSA-N 411.462 0.954 30 20 HCED Cc1nc2ncccn2c1C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213771 XHUHXODKMLUEBN-JOCHJYFZSA-N 423.473 0.521 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(C)o3)C2)C1 1831402711 PWDIEHYIDDZGQT-LAUBAEHRSA-N 404.463 0.625 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1831406528 UVYCKIPELKOQHM-NRFANRHFSA-N 419.478 0.840 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(CC)CC3)C2)C1 1831437822 GVWNFZKSAYEHGB-AVRDEDQJSA-N 423.554 0.766 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[C@@H]3CCOC3)C2)C1 1831438512 UAFVYGLFJXGJSE-DBXWQHBBSA-N 410.511 0.851 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccn3)C2)C1 1831439031 ZXVOEXOAHVMMJS-MBOZVWFJSA-N 406.483 0.492 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1832451997 OAYFMKYTTKJDTL-HXUWFJFHSA-N 421.519 0.224 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)NC(=O)CC)CC2)CC1 1833417893 KWMBPSRKQSTFMN-IRXDYDNUSA-N 420.554 0.511 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnccc3N(C)C)CCO2)C1 1833666201 SVKZIRLUBTXWKM-LIRRHRJNSA-N 408.524 0.536 30 20 HCED Cc1[nH]nc(C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)c1F 1834020435 KBJBXJSZCAYEOR-UHFFFAOYSA-N 405.430 0.130 30 20 HCED Cn1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n1 1834242334 ZRSXPKXGFKNHBM-QFIPXVFZSA-N 423.473 0.604 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnoc3C)CCO2)C1 1834317873 GGGFTHNHJNJCFK-DNVCBOLYSA-N 408.455 0.854 30 20 HCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccc(Cl)cc3)C2)C1 1834965359 DPOAHQNRTMVYPO-HXUWFJFHSA-N 406.866 0.794 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc4nc(CO)[nH]c4c3)CC2)CC1 1835317134 HNRZGMVIGJGZMU-UHFFFAOYSA-N 409.490 0.874 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1835359273 ASFDTBGUUZCLNG-OAQYLSRUSA-N 424.461 0.845 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccccc3-n3nccn3)C2)C1 1835361203 FLHUYPCNGXSYPF-OAQYLSRUSA-N 424.461 0.641 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1)n1cccc1C=O 1835949678 NKOMWHOYNUSNBB-VGOFRKELSA-N 413.474 0.731 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3nnc(C)s3)CCO2)C1 1836077144 YXDAEZMXAUGYCH-AUUYWEPGSA-N 424.523 0.437 30 20 HCED N#Cc1c[nH]c(C(=O)NC2CCN(C3CCN(C(=O)Cn4nccn4)CC3)CC2)c1 1836170499 SMIINRCYAKFTEB-UHFFFAOYSA-N 410.482 0.363 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(CO)on3)CC2)CC1 1836186775 ZJPGPGQDFDJWQD-HNNXBMFYSA-N 418.494 0.390 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnccc3F)CCO2)C1 1836315636 AQPSJYPIRBSTFP-UWJYYQICSA-N 421.469 0.864 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3Cc4ccccc4O3)CCO2)C1 1836643996 OVUZCCBKSLXEGZ-PGRDOPGGSA-N 413.474 0.996 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)ncn3)CC2)CC1 1836856120 QTBXMTGFCBIQBW-OAHLLOKOSA-N 416.478 0.833 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc5n(n4)CCC5)CCO3)C2)c1 1837094470 SUOPVDRBCWHVMS-OAQYLSRUSA-N 424.461 0.413 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]c(=O)cn3)C2)C1 1837665320 DUJDZDYVEHSKRD-NRFANRHFSA-N 418.494 0.832 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncoc3C)CCO2)C1 1838206334 WDQHQXZLVSNZFV-KXBFYZLASA-N 408.455 0.854 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c(O)c1 1838890456 WIACMGUUTCPUIY-YJYMSZOUSA-N 410.492 0.789 30 20 HCED CN1CCC[C@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905354 CAOKKKOZMZFGBL-SIKLNZKXSA-N 412.490 0.722 30 20 HCED COC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(C#N)cc1)CCO2 1838950397 RVFVUKLGOFHRDN-OAQYLSRUSA-N 415.446 0.581 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)[nH]n3)C2)C1 1839175354 DVXLWLUVIZNSQK-FQEVSTJZSA-N 420.466 0.298 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1839452352 XCNYAZDJXAYBHU-HXUWFJFHSA-N 410.434 0.369 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccnc1C)CCO2 1839713726 CAKBREZQORBHLP-LJQANCHMSA-N 408.524 0.567 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CC1)CCO2 1839759375 OYZLBOSKYPQIOO-HXUWFJFHSA-N 417.437 0.896 30 20 HCED CCC(=O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839831096 AVJFRUQYBMEJED-NRFANRHFSA-N 417.437 0.675 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839958267 ZCTWVYQMXFWZNH-NQIIRXRSSA-N 401.463 0.350 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(F)cccc3Cl)C2)C1 1840043300 QJEXEJPWXMNUGO-IBGZPJMESA-N 424.812 0.637 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1840359540 LIFMQBUXTQTCQG-FQEVSTJZSA-N 403.483 0.318 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCCn3ccnc3)CCO2)C1 1840383638 WDEQSASCNGLRHD-RXVVDRJESA-N 420.510 0.711 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccc(O)n4)C3)C2)CCC1 1840813211 MSCOKBDRFLEOSU-FQEVSTJZSA-N 400.435 0.551 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc5ncccn5n4)C3)C2)CCC1 1840813951 HAVRFZUKSBWPMM-NRFANRHFSA-N 424.461 0.493 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)n3cccc3C=O)C2)C1 1840841569 IIFJCZRWNIWJPJ-UTKZUKDTSA-N 401.463 0.731 30 20 HCED CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)CC#N)C1 1842623942 UKXQAAOAIPAKDM-HNNXBMFYSA-N 416.482 0.963 30 20 HCED COCCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 10606074 OINWFUXJNUXAMH-UHFFFAOYSA-N 423.491 0.655 30 20 HCED N#Cc1ccc(CN2CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)cc1 42354443 NCJNBEHENJVAPO-UHFFFAOYSA-N 405.506 0.815 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 52309007 PMTQXKVRMNTNSD-CQSZACIVSA-N 411.528 0.996 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CC)CC(=O)NCc2ccc(F)cc2)C1=O 57651542 PCQUABQRJQFMEX-UHFFFAOYSA-N 404.398 0.267 30 20 HCED CCOC(=O)c1csc([C@@H]2CCCN2S(=O)(=O)N2CCO[C@@H](C#N)C2)n1 410402060 OPNLRYFGQSNVIC-AAEUAGOBSA-N 400.482 0.926 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)cc1 427030701 VMWUETRITCCIKW-KRWDZBQOSA-N 414.506 0.964 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncccc1S(C)(=O)=O 428027034 IWQHLSIDNMOGGD-LBPRGKRZSA-N 422.488 0.340 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)c(F)c1 431199180 RPBZVJNUBLQTAD-KRWDZBQOSA-N 413.453 0.663 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](OCCN2CCCC2)C1 443865866 GIYFCFMKKRNVHA-FUHWJXTLSA-N 420.535 0.938 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NCCC2CCN(CC(F)(F)F)CC2)n1 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30 20 HCED CN(CC(=O)N1CCO[C@](C)(c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 473447848 JQCAQRKUTNYAEA-IBGZPJMESA-N 417.491 0.686 30 20 HCED C[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CCN1S(C)(=O)=O 475808784 DLVQALGXDMROCN-WMLDXEAASA-N 404.492 0.542 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C#N)c1ccccc1F 476751083 WCHJDUOGROBGCI-ZBEGNZNMSA-N 404.423 0.972 30 20 HCED CCOC(=O)C=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(=O)N(CC)CC 480323409 FKDHGHXYPVOZEP-UHFFFAOYSA-N 419.528 0.884 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1=O 480967809 SFSHXUOKJWYHDO-SWLSCSKDSA-N 422.463 0.658 30 20 HCED C=CCOC[C@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OC 481746944 GSJQXWGEWORNGJ-AWEZNQCLSA-N 402.407 0.821 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 484638132 WNKAWXXUBFUKHB-UHFFFAOYSA-N 402.495 0.983 30 20 HCED CC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 486481204 SSOHPMFVNMQZJM-ZWKOTPCHSA-N 413.478 0.596 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 505636801 UPLDGDGPSBLZFQ-OAHLLOKOSA-N 409.402 0.147 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCCO)CCN1Cc1ccccc1 506161316 VAAYQNUMUGFYLU-HXUWFJFHSA-N 422.485 0.910 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)NC[C@H]1CCS(=O)(=O)C1 509725640 FYRPDNLTJWOBFF-GHMZBOCLSA-N 419.912 0.429 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 514951082 BFSNAEYJFBMHHO-SFHVURJKSA-N 414.510 0.075 30 20 HCED COc1ccc(I)c(NC(=O)C(=O)N2CCO[C@H](C#N)C2)c1 518517163 IVBZFSYZBRKRAX-SNVBAGLBSA-N 415.187 0.989 30 20 HCED N#C[C@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCO1 519273090 HQRFMOPHZRSMRE-INIZCTEOSA-N 420.491 0.051 30 20 HCED N#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 520996495 NLYHQNCJQCFQCJ-UHFFFAOYSA-N 404.492 0.814 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 524184685 UZHODNNXPPUSQS-UHFFFAOYSA-N 406.420 0.043 30 20 HCED CCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc(C#N)n3)CC2)cc1 531770283 LGSXIXQEENDQHU-UHFFFAOYSA-N 402.480 0.635 30 20 HCED N#CCCN(CCC#N)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 535547338 FOHBLWJTFXRMBT-LJQANCHMSA-N 411.462 0.627 30 20 HCED CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 551603169 QEPKMZQBMADTHE-CQSZACIVSA-N 403.458 0.767 30 20 HCED CC1(C)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H]1[C@@H]1CCCO1 562151346 FIWKWXQUZMIDLN-IRXDYDNUSA-N 408.462 1.553 30 20 HCED C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 565392036 ARMNAZCMHMGUBC-HNNXBMFYSA-N 423.477 0.789 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)c2ccc(F)cc2F)CC1 576968794 KTLIPPRZGBJWSE-AWEZNQCLSA-N 408.449 0.631 30 20 HCED CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 578794809 AWWHHSQYBCKXRX-UHFFFAOYSA-N 422.445 0.365 30 20 HCED CO[C@H](CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(F)(F)F 578935764 SYYVCIQATIEXMK-CYBMUJFWSA-N 416.404 0.332 30 20 HCED CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 586870356 IIYIYXYUIIWVDA-CQSZACIVSA-N 402.499 0.919 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 589929656 JDVPLEUYPJGDLH-UHFFFAOYSA-N 414.491 0.774 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 610797151 YGPKGOIHVWGCPU-NVXWUHKLSA-N 406.508 0.548 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1 613657112 YUPRDUHFXQJUMC-UHFFFAOYSA-N 414.491 0.997 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1=O 726042285 GXKLKIGESSWNST-LBPRGKRZSA-N 403.391 0.925 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 726042734 FRMPUIZOBHEPLK-UHFFFAOYSA-N 415.318 0.665 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 728532272 RWLXZUGWBFWVBC-LJQANCHMSA-N 411.568 0.652 30 20 HCED N#Cc1cnn(CCOC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)c1N 729807936 ACHIQDSUFUWEPK-AWEZNQCLSA-N 403.464 0.981 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 733564463 KOWHBNXRFIDPLF-UHFFFAOYSA-N 416.390 0.296 30 20 HCED C=C(Br)CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 733892309 FSTHQBZKDBWUAO-SNVBAGLBSA-N 402.270 0.712 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CSc2nnnn2CC(F)(F)F)C(N)=O)cc1 734583161 ROOJWIIAUKWMTE-LLVKDONJSA-N 400.342 0.969 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)nc3)C2=O)cc1 734602786 YUXYITFGCOUWAS-FQEVSTJZSA-N 423.385 0.617 30 20 HCED CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCNc3ccc(C#N)cn3)ccc21 735650098 MZPCPDVKZYGTQZ-UHFFFAOYSA-N 406.446 0.820 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 737308024 VLTSEWFZDFNWSD-BUHFOSPRSA-N 408.317 0.589 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2nccc3ccccc23)c1=O 740853782 ZOVKFFRZYWDHLL-UHFFFAOYSA-N 420.494 0.886 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 745354307 SWVAEXXSWAVEMZ-XHDPSFHLSA-N 419.463 0.345 30 20 HCED COc1cc(CN2CC[C@H](NC(=O)C(=O)Nc3cnn(CC#N)c3)C2)cc(OC)c1 746436230 KYLUCHNTNODLHA-HNNXBMFYSA-N 412.450 0.753 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 751495937 DACZNEDZDKLIBI-MRXNPFEDSA-N 418.450 0.579 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC)C2)cc1C#N 752410507 FLMBGVBQQCEQEP-ZDUSSCGKSA-N 423.451 0.215 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 754786270 KOEDBVVVOUPRNJ-VIFPVBQESA-N 421.294 0.950 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OCC)cc2)c1=O 758049479 FINFYMDKSJSVCB-UHFFFAOYSA-N 411.483 0.207 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 761029906 TVVOXYJYUORROU-GFCCVEGCSA-N 402.879 0.891 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cc[nH]n1 772394680 AIJOWEXNVJHWLZ-DLBZAZTESA-N 421.498 0.578 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 773473868 FTGMITDYXKJQBH-UHFFFAOYSA-N 405.476 0.710 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 775845412 JLFHLNKQNYUMIN-ROUUACIJSA-N 423.558 0.904 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1)[C@H]1CCCO1 782126668 YVMJQXRPJAVGDT-WOJBJXKFSA-N 412.490 0.586 30 20 HCED C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 783363351 MHXNVMNTOQFNGN-ZUINKLJDSA-N 410.496 0.714 30 20 HCED Cc1oc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1S(=O)(=O)N(C)C 784072571 XJEYMSHJSMETJX-UHFFFAOYSA-N 405.392 0.815 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC(OC[C@H]2CCOC2)CC1 787778760 RCQJFSBLKKFSNR-HNNXBMFYSA-N 401.467 0.525 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 789808660 ANYVTJUIHVOJNN-HNNXBMFYSA-N 423.466 0.803 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)c1C#N 793446277 DTUYAABUHXLULA-HZPDHXFCSA-N 412.475 0.943 30 20 HCED Cc1oc(C#N)cc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 797888098 YFJYDEBKHSGKCW-ZIAGYGMSSA-N 410.448 0.811 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)C1=O 798602390 VEIUVJYLBBIQAB-CQSZACIVSA-N 408.432 0.421 30 20 HCED C#CCC[C@H](O)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 799204913 KCIKFSKJBWDOPT-HNNXBMFYSA-N 411.480 0.612 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)C1=O 799267521 LMPKGFUHGXKUGV-MRXNPFEDSA-N 400.435 0.823 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)c(F)c1 802565198 WKTFSLLKGHSLOW-HNNXBMFYSA-N 415.400 0.926 30 20 HCED N#Cc1ncn(CCNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)n1 804621245 OCZVNCXMWYNYAW-UHFFFAOYSA-N 417.495 0.698 30 20 HCED CCOC(=O)CON=C(C(=O)N1C[C@H](CC)S(=O)(=O)[C@H](C)C1)c1cc[nH]n1 805400128 OWPFJVSMCHEDSE-NEPJUHHUSA-N 400.457 0.118 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCCOC2(C#N)CCOCC2)cn1C 809079748 AAXRIIMSDPHMEH-UHFFFAOYSA-N 400.457 0.030 30 20 HCED CCOC(=O)C1=C(CN2CCN(c3snc(C)c3C#N)CC2)NC(=O)N[C@@H]1C 810063367 UIHWHFSKCZZOBI-GFCCVEGCSA-N 404.496 0.964 30 20 HCED Cc1c(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)c(O)nc(=O)n1C 904910099 NQRSBLMJHUFXMA-UHFFFAOYSA-N 402.392 0.083 30 20 HCED CN1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(OCC#N)c3)cn2)CC1 915752100 GVCYWMZFHNTCTG-UHFFFAOYSA-N 408.462 0.991 30 20 HCED COCCCNC(=S)NN=C(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916280148 ZAEFQPBGBYKFRX-UHFFFAOYSA-N 414.553 0.932 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cn(C)c(=O)nc2O)cc1OC 916923264 JMORGZOKUVHGCN-GFCCVEGCSA-N 400.391 0.184 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1CCOC 917768765 LWQGEPPIHYUDID-UHFFFAOYSA-N 420.472 0.331 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 920414974 FGYRHHUHQAIRCJ-ZIAGYGMSSA-N 423.447 0.677 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c(OC)ncnc1OC 1000573943 JWWCJZHQFZCMDT-MRLBHPIUSA-N 402.451 0.947 30 20 HCED C=C[C@H](COC)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1116619728 VPDUYJMQARMWIC-CQSZACIVSA-N 410.496 0.895 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1168555463 SDQYLRMSAHGTTP-CVEARBPZSA-N 423.491 0.569 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCOCC1 1305793240 XOVHTLYYDIZGRN-DOTOQJQBSA-N 419.530 0.646 30 20 HCED C=CC[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)O 1321206114 GFXOQABZNJRCBR-CYBMUJFWSA-N 408.480 0.902 30 20 HCED C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCNC2=O)C1 1330167345 QZNVOEHWQRTTGU-HUUCEWRRSA-N 408.528 0.750 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CC[C@H](O)C1 1454464085 JZUDUPVTPJANFP-HOCLYGCPSA-N 408.524 0.467 30 20 HCED Cc1ncsc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1510452640 NBRBVSGCFIADGR-KGLIPLIRSA-N 422.536 0.917 30 20 HCED CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1554150366 XOMLEYXRYUWCTG-UHFFFAOYSA-N 406.454 0.594 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)CC1 1563927411 PCXXBXCMJKAHGU-UHFFFAOYSA-N 415.494 0.966 30 20 HCED C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1NC(=O)OC(C)(C)C 1628627270 QWRBEIFLUPHKPK-GXTWGEPZSA-N 405.455 0.972 30 20 HCED N#CC[C@]1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 1638967696 CWVSUXWBDCRISX-KRWDZBQOSA-N 413.521 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CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)cn1 1838193698 TYGNAKUETNCBBP-QFIPXVFZSA-N 412.490 0.631 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952507 ALKYITUBVRSGIY-QVKFZJNVSA-N 414.462 0.153 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)N1CCN(C)CC1)CCO2 1839103949 ZGZIBPDGPZJCEI-CNNODRBYSA-N 422.570 0.291 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839238445 NHPPJRZAIMBNIK-DYESRHJHSA-N 420.510 0.617 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1c(O)cc(O)cc1O)CCO2 1839374397 NAMORAOOPUOHRB-FQEVSTJZSA-N 404.419 0.287 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1839419868 YXOJWXBDINCSHN-HXUWFJFHSA-N 413.409 0.804 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnn5c4OCCC5)CCO3)C2)C1 1839516263 IRGMOBAUWJPRIG-OAQYLSRUSA-N 416.478 0.702 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1nc3ccc(F)cn3n1)CCO2 1839626188 SFIGFLIQOOYJGT-HXUWFJFHSA-N 415.425 0.352 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2C[C@@H]2F)CCO3)cc1 1839766533 BEHYDZRULHXLAS-BBTUJRGHSA-N 401.438 0.915 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4cccc(OC)c4C3)C2)C1 1839810209 LDELLSGVCSMPGF-FDDCHVKYSA-N 412.486 0.890 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)NC(C)=O)CCO2 1839875691 SLYRPHXAFJKTES-HRAATJIYSA-N 407.511 0.736 30 20 HCED COc1ncccc1CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840158100 HANCLZQEQCVYKJ-QRWLVFNGSA-N 423.535 0.798 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4c(F)cccc4n3)C2)C1 1840163318 GESMCYNUBXXSMG-DJJJIMSYSA-N 422.482 0.862 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCc4nc[nH]c4C3)C2)C1 1840170413 DOSHIOOFSIZJSJ-HTAPYJJXSA-N 414.506 0.775 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1840843312 IJIXGEHEZBWJEE-KGVIQGDOSA-N 417.506 0.257 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cncc(S(C)(=O)=O)c1)C2 1841599040 ONZHCYSRSMNIFR-AWEZNQCLSA-N 405.476 0.340 30 20 HCED NC(=O)c1ncccc1C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844299696 LFXHBMBSWJUFCB-IMQYADFFSA-N 415.450 0.527 30 20 HCED C=CCNC(=O)NC(=O)CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 11364824 ZBFMKSRABIYYSU-ZDUSSCGKSA-N 410.500 0.398 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 22827228 XAOOPZLVBOMUJY-UHFFFAOYSA-N 423.369 0.539 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 57484532 ODTRZIWFCLORNL-UHFFFAOYSA-N 410.433 0.723 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCO1 409485812 OZWDAKJLCNBHFQ-SFHVURJKSA-N 412.487 0.728 30 20 HCED CN([C@H]1CS(=O)(=O)c2ccc(Cl)cc21)S(=O)(=O)N1CCO[C@@H](C#N)C1 409496993 AQEIASYWGZHGII-AAEUAGOBSA-N 405.885 0.569 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 409593657 XTDUTXGBOBVBIG-MRXNPFEDSA-N 408.528 0.436 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 433890619 MSBABTCIAUESHU-ZDUSSCGKSA-N 420.433 0.680 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCCS(=O)(=O)N(C)C 447757213 ICCGRFJKZWKDKJ-UHFFFAOYSA-N 416.569 0.533 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460612756 IHXQLUADCYBGLV-INIZCTEOSA-N 424.509 0.467 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3OC)C2)nn1 464200691 WNGXNJYJONIMTB-CYBMUJFWSA-N 405.436 0.971 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 472732818 GKKMAHYLPHBXFW-QGZVFWFLSA-N 414.487 0.748 30 20 HCED CS(=O)(=O)N[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 477145808 XMTXDUHSPNXHMG-NWDGAFQWSA-N 402.454 0.605 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccnn2C(C)C)c1=O 478837166 JVIVLHSSCWZPJH-UHFFFAOYSA-N 403.508 0.363 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C(=O)C2CC2)CC1 480469145 KFNWGMNOYTVMHM-ZDUSSCGKSA-N 404.492 0.742 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2cnn(C)c2)CC1 481802016 AZRHWXUEFSGNNG-OAHLLOKOSA-N 416.507 0.303 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 482781545 MQADNLSXYDGVJG-CQSZACIVSA-N 408.524 0.539 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)NCC(F)F)CC2)cc1 482916442 SQVDGGLRHRZHNG-UHFFFAOYSA-N 414.434 0.456 30 20 HCED Cc1c(C(=O)N2C[C@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nnn1-c1ccn(C)n1 489061162 HPOQWFAXQNBTGL-RBZFPXEDSA-N 402.418 0.795 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(CCOc3ccccc3C#N)CC2)C[C@@H](C)O1 497609239 BNJMGCZMKLTNNU-CALCHBBNSA-N 408.524 0.909 30 20 HCED COC(=O)c1cn(C2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)nn1 500504894 VUQHXUOTUSCHFL-UHFFFAOYSA-N 417.447 0.839 30 20 HCED Cc1cnc(N)c(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 500790383 ALTARNDDOBIQLZ-UHFFFAOYSA-N 421.504 0.539 30 20 HCED N#Cc1cc(NC(=O)C(=O)N[C@H]2COC[C@H]2n2ccnn2)ccc1OCC(F)(F)F 504070410 KVBISYSCSIVDMZ-QWHCGFSZSA-N 424.339 0.786 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 504203603 SPRFDFBSFXHIGZ-QGZVFWFLSA-N 422.507 0.514 30 20 HCED C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508833117 NOBXUDUUVWEGOL-UHFFFAOYSA-N 405.462 0.930 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 509722159 PLCZUCQDBVKIQG-UHFFFAOYSA-N 415.538 0.677 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1 517119783 VBRCLTFOLTXHMX-UHFFFAOYSA-N 403.406 0.216 30 20 HCED C[C@@H]1CN(C[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1 532642489 NNFHPLNRLDWCDY-ZHALLVOQSA-N 422.551 0.335 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cc(F)cc(F)c3)c2=O)cn1 533713618 JUBUNVDFVZPYBQ-UHFFFAOYSA-N 415.425 0.643 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccn4)c3)CC2)n1 546202437 LWHZSIFYPDCAJP-UHFFFAOYSA-N 403.406 0.216 30 20 HCED C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549283243 ZBODFBSOYPPLCJ-QGZVFWFLSA-N 424.505 0.795 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCCN3CCOCC3)CC2)cc1 549526494 GWLQOVSJJSUWGA-UHFFFAOYSA-N 420.535 0.894 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cn2cc(Cl)ccc2n1 550356800 SXZQKXFDJSXVPM-UHFFFAOYSA-N 414.857 0.872 30 20 HCED CCc1nn(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(=O)c(C#N)c1CC 553843221 NGWFMXDWVXASEG-UHFFFAOYSA-N 409.450 0.757 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 554321537 BVJCSNNWICHKGP-IUODEOHRSA-N 414.509 0.918 30 20 HCED CN(C)CCOCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 554652937 KNRLVJFGANATIZ-UHFFFAOYSA-N 407.902 0.555 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 556784490 ZKQLUILQVPENPO-UHFFFAOYSA-N 410.455 0.171 30 20 HCED CN(CC(=O)NCC1(S(C)(=O)=O)CCCC1)S(=O)(=O)c1ccc(C#N)cc1 557136812 VIPXWTVZOQTRBK-UHFFFAOYSA-N 413.521 0.652 30 20 HCED C=CCn1c(C2CCCC2)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 558670673 NEBPQWSPTAYSJC-UHFFFAOYSA-N 400.487 0.588 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 561958368 QPRSMCOLUAOKHE-UHFFFAOYSA-N 423.473 0.710 30 20 HCED CN(C)C(=O)COc1cccc(CNCCS(=O)(=O)c2ccc(C#N)cn2)c1 564755658 OZUQXMIQMGEOQV-UHFFFAOYSA-N 402.476 0.984 30 20 HCED COCC1(O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 569341036 WYYZNRZRVOAATB-QGZVFWFLSA-N 414.462 0.170 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(CCc3ccncc3)n2)cc1 569396996 XDZKDRPCLCSCDE-UHFFFAOYSA-N 410.459 1.309 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 569510939 RXTVGZGBFNEVPO-GJZGRUSLSA-N 412.560 0.764 30 20 HCED C=CCn1c(Cc2noc(-c3cc(O)nc(N(C)C)n3)n2)nnc1N1CCOCC1 580242501 FQOSSORGXBQDTN-UHFFFAOYSA-N 413.442 0.503 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCOC[C@H]3CCCO3)CC2)nc1 581000548 WKMRDOCPMVRIPQ-QGZVFWFLSA-N 401.467 0.304 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC(=O)N(C)C1=O 583284920 ZDPBALMRGSASLC-NSHDSACASA-N 410.224 0.972 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCN2CCCCCC2=O)CC1 585689103 ZJVZWWMKIGHZOP-UHFFFAOYSA-N 412.494 0.511 30 20 HCED CCC(CC)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589293724 ITTGSLCDEDJVCR-UHFFFAOYSA-N 406.508 0.944 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cn1C 608852646 VGFVKIJEWBDCAW-KRWDZBQOSA-N 416.507 0.416 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4ccccc4[C@@H]3C(N)=O)CC2)o1 609355637 YGYJBACYOAJHDW-LJQANCHMSA-N 408.462 0.588 30 20 HCED C[C@@H](NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21)c1cccc(C#N)c1 610364282 PIIMFASGUMTQFU-LLVKDONJSA-N 400.416 0.991 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2ccc(OC)cc2OC)C1=O 726042987 QHLJXWCJPWYOHP-NSHDSACASA-N 404.375 0.795 30 20 HCED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC(=O)NCCOC)c1 726404790 FGSLKDUCSPATHC-HNNXBMFYSA-N 402.476 0.498 30 20 HCED C#CCNC(=O)CN1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 728571510 GTNQTRQOBGDHBC-UHFFFAOYSA-N 407.400 0.548 30 20 HCED CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N2CCO[C@H](C#N)C2)c1 730020447 ATYIXIMGNAMXLJ-SECBINFHSA-N 409.283 0.766 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c1 731126473 PBOOHJUSZAAAQT-UHFFFAOYSA-N 412.490 0.794 30 20 HCED C=CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCS(=O)(=O)C1 731214676 VTDUFUKZLSLGEE-SFHVURJKSA-N 422.507 0.919 30 20 HCED C=CCOc1ccc(C(=O)OCCN(C)S(=O)(=O)N2CCOCC2)cc1OC 731290552 GWWZWCIHQDWXSE-UHFFFAOYSA-N 414.480 0.926 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cnn(CC)c2)c1=O 732664360 NIICNNCPDALPPL-UHFFFAOYSA-N 415.544 0.391 30 20 HCED C#CCN1CCN(C(=O)CN(C)CC(=O)Nc2ccc(Br)cn2)CC1 746500506 CGPHGDCXUQUUHG-UHFFFAOYSA-N 408.300 0.492 30 20 HCED N#CCN(C(=O)COC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccccc1 750173851 GTSTTWOXEYZAQN-UHFFFAOYSA-N 403.416 0.813 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cn1C 750622289 WGSZUJMNINIPGN-GFCCVEGCSA-N 419.463 0.839 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CC(C(=O)OC)=NO3)c1 753687867 DJSYHSGAUCLWSD-UHFFFAOYSA-N 419.459 0.522 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 754217413 FNKRYCDMSONBMA-UHFFFAOYSA-N 405.476 0.710 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](C)S(C)(=O)=O 754234821 DKLLPHLFWRBBDZ-JSGCOSHPSA-N 415.537 0.689 30 20 HCED C#CCOCCC(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 756303360 JTNKBNQYBBLNBN-UHFFFAOYSA-N 410.448 0.229 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2CCS(=O)(=O)CC2)C1 758613442 CVGMJWBJKIXUKW-UONOGXRCSA-N 400.501 0.869 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCCO1 763464691 BXDQTNOROPZVGN-INIZCTEOSA-N 414.531 0.845 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccc(F)cc2)c1 769722659 CZBYKZGJMZOIHI-UHFFFAOYSA-N 405.407 0.835 30 20 HCED O=C1CN(CCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2)CCN1 781103274 PABVIVDBXQWBDN-INIZCTEOSA-N 415.519 0.719 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 783012007 AUPOMUKRWJHXHI-UHFFFAOYSA-N 412.487 0.692 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O)[C@H]1CCS(=O)(=O)C1 783482221 WSVUGRHOZCWYGU-KRWDZBQOSA-N 417.487 0.573 30 20 HCED Cc1cc(NC(=O)CN2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)no1 784557876 SZFLPDRDTKLCKL-UHFFFAOYSA-N 404.452 0.263 30 20 HCED C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)C(=O)NC1(C#N)CCC1 787614243 CBLPZSRBZAFWSR-ZDUSSCGKSA-N 424.479 0.154 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 793043298 JENNIHFKKDJHAE-GFCCVEGCSA-N 404.286 0.876 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CC(=O)N(C)C 795193498 GAEMHVQHCJXAEF-LBPRGKRZSA-N 415.519 0.158 30 20 HCED CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796714721 QYQRZKJJBGGIMD-TZMCWYRMSA-N 413.496 0.598 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1=O 800789157 WOFOGAKHQBBUEE-UHFFFAOYSA-N 400.435 0.458 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 807311144 FHTBTYXXLNSAMZ-ZDUSSCGKSA-N 408.480 0.704 30 20 HCED CON(C)C(=O)[C@H](CCSC)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 810582742 CNAWBRVTAMQVLY-AWEZNQCLSA-N 414.509 0.094 30 20 HCED CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1c(C)nc(O)nc1O 839398139 PIOLOKXAQZLIEK-UHFFFAOYSA-N 421.483 0.363 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 913375505 UGTSGEXZAYPQRY-WLRWDXFRSA-N 401.423 0.232 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCN(CCC#N)CC1 1302596547 LACWDVSSZSAASN-INIZCTEOSA-N 407.515 0.950 30 20 HCED 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0.996 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csc(C)n3)CCO2)C1 1834453212 MMSJFWIGXBJJPR-LIRRHRJNSA-N 407.492 0.560 30 20 HCED O=C(C#Cc1ccccc1)NC1CCN(C2CCN(C(=O)C3=NNC(=O)C3)CC2)CC1 1834519008 IOMFQVARAZPFMA-UHFFFAOYSA-N 421.501 0.486 30 20 HCED O=C(NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1)c1nc[nH]n1 1834951917 NHKHLAUWTNCPNU-CIAFOILYSA-N 413.482 0.702 30 20 HCED Cc1nn(C)c(C)c1CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835347848 HONIFGLCDZWDJH-OAQYLSRUSA-N 415.494 0.340 30 20 HCED CC(C)(C#N)C(=O)N1CCC(N2CCC(NC(=O)/C=C\C(=O)NC3CC3)CC2)CC1 1835657780 ITMOIPQXKQRGFA-WAYWQWQTSA-N 415.538 0.943 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cccc1C=O)CCO2 1835960367 ZMYMJETVTCNXLI-UWJYYQICSA-N 401.463 0.731 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)N(C)C(C)=O)CC2)CC1 1836859501 JTUGPIUDYUSFQO-SJORKVTESA-N 421.538 0.890 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCCO3)C2)C1 1837489373 DUGOHJXJPSYIHJ-XMSQKQJNSA-N 420.506 0.320 30 20 HCED CC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489502 JTLBUSZYAHKJNJ-JOCHJYFZSA-N 420.506 0.511 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3cnco3)C2)C1 1837524463 BPHVCLSYWJFKRP-SMHWIJLPSA-N 422.438 0.274 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1839226384 NJNFEXVKOFUDLA-DBXWQHBBSA-N 424.542 0.586 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4ccnn4)C3)C2)cc1 1839362016 UGAUGVPJDIXMLP-NRFANRHFSA-N 424.461 0.114 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnnn4C)C3)C2)c1 1839451437 SIJPWWDWYQLOQG-NRFANRHFSA-N 424.461 0.379 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(OC)c(O)cc3[N+](=O)[O-])C2)C1 1839809115 RBHHAOJFFLBEDJ-LJQANCHMSA-N 419.390 0.012 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCS(C)(=O)=O)C2)C1 1839845171 GHPSNKKDHZWHRZ-YJBOKZPZSA-N 402.513 0.090 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccn4cncc34)C2)C1 1840161603 UYTHMOPQVIVLLG-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1840170274 VDXKOZCBYZVOOO-OAQYLSRUSA-N 418.446 0.677 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)CCSC)CCO2)C1 1840194824 HBQYXXYMBXHRSU-GPMSIDNRSA-N 416.540 0.148 30 20 HCED Cc1nn(C)c(C)c1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812403 OPBZBSPJMHQLCO-NRFANRHFSA-N 415.494 0.801 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H]3CCCOC3)CCO2)C1 1840872559 XMGLAHKFWDVSAJ-TXPKVOOTSA-N 400.541 0.824 30 20 HCED C[C@](O)(C(=O)N1CC2(CCCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C1)C(F)(F)F 1841825825 CEYMXUFOTHLERC-JTQLQIEISA-N 424.269 0.858 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(OC)cc1C#N)C2 1843338360 IHXVPNJSQWJVKQ-KRWDZBQOSA-N 413.478 0.760 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c([N+](=O)[O-])cc1O 1844738111 KKNFUOVGSDHVFH-UHFFFAOYSA-N 403.347 0.214 30 20 HCED CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCCC34CN(C(=O)CC#N)C4)=NO2)C1 1846123011 SWEBKFCCMXMJEG-UHFFFAOYSA-N 417.466 0.869 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(=O)NCCC)nnc12 7228514 JMEQWQGSRXVDPM-UHFFFAOYSA-N 414.491 0.965 30 20 HCED CCOC(=O)c1c(NC(=O)Cn2c(=O)c(C#N)cn(C)c2=O)sc2c1CCC2 11457949 ZOFMGFRGJZIIRO-UHFFFAOYSA-N 402.432 0.784 30 20 HCED N#Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 15034416 NMOPCXNFMSGXLC-UHFFFAOYSA-N 420.516 0.712 30 20 HCED C#CCN1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 303562188 KJISMMAFWSVOKG-UHFFFAOYSA-N 414.325 0.895 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 409486161 LYVIFPKULRSRPI-KDOFPFPSSA-N 403.464 0.439 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 409591468 LZXVEVNYQMVVSJ-UHFFFAOYSA-N 401.470 0.894 30 20 HCED C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 427094163 RTELHEPMOPJLSX-CRAIPNDOSA-N 408.476 0.928 30 20 HCED Cc1ncc(S(=O)(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)cc1C#N 427779725 MCFXHIQLCDWSDX-UHFFFAOYSA-N 411.447 0.970 30 20 HCED CCOC(=O)c1n[nH]c(-c2cccc(CNc3c(C#N)c(=O)n(C)c(=O)n3C)c2)n1 432939735 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C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CCO2 472926184 VFIDJKOUUIHFPR-VBKZILBWSA-N 410.434 0.543 30 20 HCED CCn1ncnc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 475304674 QRVYZWANKHLIFF-UHFFFAOYSA-N 403.468 0.386 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N(CCN(C)C)[C@H]3CCS(=O)(=O)C3)CC2)o1 476231587 VNEXBIKHRYBBMG-INIZCTEOSA-N 423.539 0.648 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2cscn2)c1=O 484487702 NCZHCBRCCWIOOZ-UHFFFAOYSA-N 404.542 0.631 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(Br)cn2)c1=O 488986766 VVCDJFFNFXJRBW-SNVBAGLBSA-N 420.288 0.713 30 20 HCED C[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCOCC1 491426533 BSIZGMTWHHZCKD-CABCVRRESA-N 411.466 0.362 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1n1cccn1 494053666 CBJCUMJZTCVVHE-GVDBMIGSSA-N 420.433 0.809 30 20 HCED C=CCN(C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 498404874 VLJYYPUATXFOTK-HNNXBMFYSA-N 410.452 0.596 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1CNC2=O 499461582 ZIUQQWLOTZCSEE-GFCCVEGCSA-N 405.418 0.267 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)C1=O 500009901 FCHJNQDSVAFQRE-CQSZACIVSA-N 420.514 0.403 30 20 HCED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500233223 VJCFLQOADKFIJN-UHFFFAOYSA-N 409.240 0.576 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(CCC(=O)OC)C2=O)c1 501146126 MMFQIGYMLBFWFI-OAHLLOKOSA-N 409.464 0.045 30 20 HCED Cc1ccc(C(=O)NCC2(OCCO)CCOCC2)cc1S(=O)(=O)NCC#N 506563288 SDNRBZNQQLRPSB-UHFFFAOYSA-N 411.480 0.085 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CCn3cc(S(N)(=O)=O)cn3)C2=O)cc1 508135703 QQGYYCJJURBWAF-MRXNPFEDSA-N 416.463 0.104 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 508888340 NDDXZGODVYKGMC-OAHLLOKOSA-N 405.480 0.486 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)NCCN3CCCS3(=O)=O)CC2)nc1 510994692 HOADXMQQCWZUAX-UHFFFAOYSA-N 407.496 0.978 30 20 HCED Cc1ccc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1S(=O)(=O)NCC#N 525391861 DUWVEXOURJLLKA-CABCVRRESA-N 413.521 0.883 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 535736834 JWFLUVHKSYRQOH-UHFFFAOYSA-N 402.480 0.890 30 20 HCED Cn1c(=O)c2cc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)cnc2n(C)c1=O 539509088 SRVSVQGMUSDPPD-UHFFFAOYSA-N 401.386 0.942 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 541176160 VCOYXYIMZJLGOT-AWEZNQCLSA-N 417.809 0.736 30 20 HCED CCC(=O)N1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 541365975 XPSLDOLNPSGJRG-UHFFFAOYSA-N 402.451 0.993 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CNc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 541802573 TXWYCLUHRCKMJS-HXUWFJFHSA-N 414.466 0.646 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1=O 544730686 HIWPLEZMMLLYNS-HNNXBMFYSA-N 401.510 0.013 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)n1 546856057 SWBSISKYRMMSQI-UHFFFAOYSA-N 400.418 0.726 30 20 HCED COc1cccc(CC(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)c1 550709116 IBEQDULQSPYPKG-UHFFFAOYSA-N 407.430 0.814 30 20 HCED CCCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 553586423 MCCYBOCKZOJUHR-OAHLLOKOSA-N 413.521 0.652 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3cn4ccccc4n3)C2=O)cc1 555714657 RKUZBRQEQVUIKJ-SFHVURJKSA-N 416.441 0.739 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 556629383 FKIWRRBJTRPVPN-UHFFFAOYSA-N 404.515 0.044 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cnccn2)CC1 558993925 QUVQBWQMANTFRC-AWEZNQCLSA-N 406.516 0.581 30 20 HCED CC(=O)N1CCN(c2cc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])cc2C#N)CC1 559585394 CXUGJRDDGAXXHB-UHFFFAOYSA-N 400.439 0.803 30 20 HCED COC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 572556641 VFTBZHVHCQNILR-KKSFZXQISA-N 412.446 0.581 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C[C@H](C(N)=O)O1 589405519 SBBXUBQPPUQDKA-SJKOYZFVSA-N 409.402 0.785 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccs2)c1=O 603792890 GUBWDIGPBCEDEG-UHFFFAOYSA-N 414.556 0.824 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(OC)ccc2OC(F)F)c1=O 609577891 SCWGEFHSRCSFJP-UHFFFAOYSA-N 421.425 0.955 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CCO1 619709905 FOKOLXIHYOCLKU-UONOGXRCSA-N 418.397 0.869 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cc3c(cc2F)NC(=O)CC3)C1=O 726043483 VEMNJQXMTDZGAJ-UHFFFAOYSA-N 417.349 0.413 30 20 HCED N#Cc1cccnc1NCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726382157 NOJZWZJAOOLZOM-UHFFFAOYSA-N 401.448 0.490 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cocn2)cc1 730917852 JKFRZHBITSBIML-QNGOZBTKSA-N 405.436 0.742 30 20 HCED N#C[C@@H](C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)N1CCS(=O)(=O)CC1 732908413 KJMLVTKZTKNPNO-SJORKVTESA-N 406.460 0.824 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 733149553 KEDKCBJFTJNKHI-ROUUACIJSA-N 413.522 0.593 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)CC1 741687981 TXHFHYVVQUTYKR-LJQANCHMSA-N 420.460 0.816 30 20 HCED COC(C)(C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 743961163 JKUWNHJKMKZSQF-RCCKNPSSSA-N 410.496 0.979 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)Nc1ccccc1C#N 745444420 ROSZFOKQFULKBK-MGTWRFQISA-N 411.414 0.979 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CCO)C2CC2)c1 749747326 ZBBJAHSPWXAIAP-MXVUGKIDSA-N 422.507 0.715 30 20 HCED N#Cc1cccc(CS(=O)(=O)NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)c1 750420044 VJTUYSRRUIBHCP-KRWDZBQOSA-N 411.443 0.624 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(CCc3cccnc3)c2=O)c[nH]1 753362744 WLTPMONPMXULNL-UHFFFAOYSA-N 405.439 0.689 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 762584879 QVKLXEBGARJVND-UHFFFAOYSA-N 415.425 0.944 30 20 HCED CC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 764285145 XJJNSAHVJUFAKE-VDVBZYJVSA-N 410.496 0.715 30 20 HCED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 770869033 QHVVSEDQBAUIPK-OAHLLOKOSA-N 402.432 0.646 30 20 HCED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc12 771892673 UGTCUBJIFUWDFO-UHFFFAOYSA-N 402.432 0.558 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(N2CCCCC2)cc1 771898774 RJNQSIOBZYKYKG-UHFFFAOYSA-N 419.507 0.777 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)[C@@H]1CCCO1 773799018 QAVXQIYGEJAJDB-QAPCUYQASA-N 415.446 0.403 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1 774481201 FJMADUYNRSDAIN-UHFFFAOYSA-N 404.427 0.559 30 20 HCED CCN(C(=O)CON=C(N)c1ccc(NC(C)(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 774781833 YSSBZNXAUZLUOK-CQSZACIVSA-N 411.528 0.965 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@](O)(c3ccc(F)cc3)C2)c1=O 776766194 HSAPHPMJWVWXLP-HXUWFJFHSA-N 402.426 0.234 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1=O 779537242 LDYJXBUKMWGWOZ-ZDUSSCGKSA-N 408.455 0.725 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 784870797 ANPTXVFJZMMFNH-CYBMUJFWSA-N 401.394 0.541 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccnc1N1CCOCC1)c1cc[nH]n1 789969451 UWCDKGTYVNHBDJ-UHFFFAOYSA-N 402.411 0.564 30 20 HCED C[C@H]1NC(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)=NN(c2ccccc2)C1=O 791286863 YNQNLYKBKKZAHK-OAHLLOKOSA-N 403.446 0.940 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1C 799283923 TYAHJBYIUILDBK-CQSZACIVSA-N 409.508 0.901 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)c2cccc(Br)c2)C1=O 800587636 YEBXVXPXDPCROQ-LBPRGKRZSA-N 410.224 0.576 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)nc1 808156654 NLRLPWPKUPWDKP-KRWDZBQOSA-N 421.461 0.184 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1ccc(F)cc1 813039296 LIETZBBSTVURFH-OAHLLOKOSA-N 409.377 0.201 30 20 HCED C[C@H]1NC(C(=O)N2CCN(c3cnccc3C#N)CC2)=NN(c2ccccc2)C1=O 816995500 VNRIXVNLNPUBGZ-OAHLLOKOSA-N 403.446 0.940 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 852292704 HHTUIAVUJUFWLS-KKUMJFAQSA-N 408.476 0.779 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C 917779828 KUSWICXGSNRSMN-UHFFFAOYSA-N 405.483 0.933 30 20 HCED C=CCn1cc(C(=O)N2CCCO[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1019633514 RNNAUKKJVCKPHO-KJFNJWSJSA-N 401.467 0.235 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)NCCCO)CC2)cc1 1116313343 SUXMMPAXBISTSM-UHFFFAOYSA-N 422.507 0.229 30 20 HCED N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCS(=O)(=O)C[C@@H]2C2CC2)CC1 1307777727 IHTSJDSQYUKOMQ-IAGOWNOFSA-N 422.576 0.966 30 20 HCED COCCn1nc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)ccc1=O 1318122434 DJHOYOCHBYQNTE-AWEZNQCLSA-N 402.407 0.910 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1CCOC 1320166430 RLCKJVQBQOCSSX-UHFFFAOYSA-N 417.462 0.509 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCO[C@H](C)C1 1541679259 VTJDPJCXLNHYGK-SJORKVTESA-N 419.530 0.646 30 20 HCED C[C@@H]1C[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1543710445 KAGFYJJYLPKNGD-VWPFQQQWSA-N 412.491 0.709 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1557220770 IYJBLYXNXYHFKF-FUHWJXTLSA-N 407.492 0.663 30 20 HCED C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@](O)(CC#N)C3)cc2)C[C@@H](C)O1 1570695372 QTSGGWGIQUDOEJ-SPYBWZPUSA-N 407.492 0.975 30 20 HCED CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1602858422 LPWASXXCTCTYFJ-KRWDZBQOSA-N 401.515 0.827 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC(=O)NCC2CC2)cc1 1620352675 WUSOMDMOWQDYFB-UHFFFAOYSA-N 423.477 0.581 30 20 HCED CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N(CCC#N)CCN1CCOCC1 1621753630 XMRHXAQKFDMUFQ-ZDUSSCGKSA-N 415.434 0.748 30 20 HCED COC(=O)C1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1638650204 RZVFWTLBECVSOP-UHFFFAOYSA-N 405.476 0.980 30 20 HCED CCCc1c(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cnn1-c1cccc(C#N)c1 1660854327 JPYUSJIAZGVREX-NVXWUHKLSA-N 403.464 0.976 30 20 HCED COCCN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1=O 1662312745 XRZIDLHMNXGVSS-UHFFFAOYSA-N 420.260 0.939 30 20 HCED CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1670996971 VRWIBCIXMSRHEW-UHFFFAOYSA-N 404.489 0.088 30 20 HCED COC(=O)[C@H]1CN(C)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1681517110 YCAJQDAQYGSJSU-WMZOPIPTSA-N 413.478 0.800 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccccc2F)cn1 1748013559 NSWAWJUPQMYICI-OAHLLOKOSA-N 424.440 0.976 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1751853522 JCKSPQFRXRYQLZ-MDZRGWNJSA-N 401.471 0.408 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2[nH]nnc2C)C1 1777740115 NAHUKHWSKXCWEM-JTTZZOPQSA-N 416.482 0.099 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3c(Cl)ccc4c3OCO4)C2)C1 1777804102 YQZXFHRWNPXERG-IBGZPJMESA-N 420.805 0.600 30 20 HCED O=C(CCN1CCOC1=O)N1CC[C@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1778160241 KFPDVHZDJQYXOT-JLDPKJTDSA-N 418.450 0.371 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3CCN(C)CC3)C2)C1 1778845750 BOXCXODGGOABNG-DENIHFKCSA-N 404.555 0.714 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CCNC(=S)NC)C2)C1 1779034759 GYJWFOPOQZWIJH-QGZVFWFLSA-N 400.570 0.220 30 20 HCED C[C@@H](Cn1cncn1)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779223984 ZIYRUAXXHKSWMT-VRFIZVPASA-N 417.514 0.216 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)n3ccccc3=O)C2)C1 1779265914 YJVUXZBECMVMCD-FVJLSDCUSA-N 403.479 0.830 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CCCS4(=O)=O)C3)C2)cc1 1782958640 HPVUDHAWKOMPOW-XLIONFOSSA-N 417.487 0.579 30 20 HCED N#Cc1ccc(CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCn4ccnn4)C[C@@H]32)cc1 1783606222 LEGRSOCTZZVHFY-UFYCRDLUSA-N 422.489 0.762 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)C3=NN(c4ccccc4)C(=O)C3)CCO2)C1 1783894881 QBFJSJWOFROANS-VBKZILBWSA-N 416.503 0.928 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccn(C)n3)C[C@@H]21 1784491719 OIKVEBFNLHAWHW-WDSOQIARSA-N 404.511 0.925 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]21 1784500971 ADIPUZFXYUOTDG-OHFALNGGSA-N 421.454 0.362 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)COCC)CCO2)C1 1785574208 BOYKVAOHSHNNAA-KKSFZXQISA-N 423.510 0.769 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](N)c3ccccn3)[C@H]2C1 1786868853 HZCVFLXXUHUPOU-JAQSECSASA-N 416.522 0.634 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CCN4CCCC4)nc3)[C@H]2C1 1787556551 TUJPIINFTUVMEU-JBACZVJFSA-N 410.518 0.946 30 20 HCED C=C1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](COC(C)=O)OC(C)=O)[C@H]3C2)C1 1788637012 FATGMIWPEBUXJB-DSLXNQLJSA-N 422.478 0.427 30 20 HCED Cn1cncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788656249 MFKPHIAGVKSQQL-ROXRBECASA-N 419.482 0.542 30 20 HCED O=C1C[C@@H](C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C/N=C/c4ccco4)C[C@@H]32)CCN1 1791344594 NCYBNQDIAMLIDL-ZDMHMLHDSA-N 416.478 0.204 30 20 HCED CCS(=O)(=O)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C#N)cc1)C2 1793319352 ZBWHOWGAZJICGB-ALXJQNPVSA-N 405.476 0.196 30 20 HCED CC(C)[C@@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc(OCF)cn1)C2 1793380468 VDNWNRLIRQDVBE-NOXHYTERSA-N 412.487 0.940 30 20 HCED O=C(C#Cc1ccccc1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCN1CCOCC1)C2 1795275125 XIEPSEXLVNPEIW-JHDGKUDLSA-N 411.502 0.350 30 20 HCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](N)CN 1796782271 ZCUGRLTVQIPXIS-BQJWPVKWSA-N 423.558 0.770 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](N)Cc1cccnc1)C2 1799391653 ROEWLMXSXAOGKY-GYFISPQKSA-N 417.510 0.342 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800636180 QSMQRVNJDZABOJ-XIKSMUEASA-N 417.506 0.981 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2)[C@H]1C[C@@]1(F)Cl 1801088298 DHFPWLPETJDKBM-DGEYADFVSA-N 400.882 0.972 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN(CCO)CCO)c1 1801734559 XVAPXNWGMUKYEU-ACDBMABISA-N 414.506 0.405 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@@H]1c1cccnc1 1807042065 GZLGOPYRTYKJCS-FZCLSBEQSA-N 421.567 0.635 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@@H]1c1cccnc1 1808863328 CLXXFAZVDCRQSN-GYFISPQKSA-N 417.510 0.611 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccnn2)[C@H]1c1cccnc1 1810248080 GFGVNHHDDKQZMW-LNLFQRSKSA-N 412.494 0.952 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)c2ccnnc2O)[C@@H]1c1cccnc1 1811220343 DEMQOUDBMXSFAY-KYJSFNMBSA-N 409.446 0.935 30 20 HCED C=C(C(=O)NC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1)C(F)(F)F 1812679595 OOXFWADIJUKUBG-VGWMRTNUSA-N 412.412 0.929 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CCS(C)(=O)=O)[C@@H]1c1cccnc1 1813574602 WLQZWHGOCMZRMM-SUMDDJOVSA-N 421.519 0.560 30 20 HCED CNC(=S)NCCC(=O)N[C@H]1CCc2nc(NC(=O)C3(C#N)CC3)sc2C1 1814473687 DXNLUYXYQFMNGT-JTQLQIEISA-N 406.537 0.843 30 20 HCED C#CCCCC(=O)Nc1cc([C@@H]2CCCCN2C(=O)CN(CCO)CCO)[nH]n1 1822394260 OLJDJUFQUCOVFE-KRWDZBQOSA-N 405.499 0.492 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2C1 1822612222 PNRNJMBMRYVBTQ-UHXUCMFUSA-N 408.524 0.351 30 20 HCED Cc1nccn1[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)C#CC(=O)O)sc2C1 1825674131 COBIAEQPVHVKGJ-PWSUYJOCSA-N 401.448 0.909 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnn5cccnc45)C3)C2)C1 1829669427 YDDMNHHYUZKTBO-NRFANRHFSA-N 411.462 0.766 30 20 HCED C[C@@H](Nc1nccs1)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831216196 ZNLQQOXLXFCCKB-FOIQADDNSA-N 418.519 0.813 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C)n3)C2)C1 1831391541 QJOKHWJJTXEVQK-DYESRHJHSA-N 401.463 0.498 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csc(N)n3)C2)C1 1831486882 HKGZUXZVIQIFQH-SUMWQHHRSA-N 414.553 0.750 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)(F)C(=O)O)CCO2 1832251287 FWEVIVOAGKWJRK-AWEZNQCLSA-N 412.336 0.374 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4cc([N+](=O)[O-])cn4)CCO3)C2)C1 1832793748 SIZQMTOHKOPHNU-IBGZPJMESA-N 419.438 0.214 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3csnc3C)CCO2)C1 1833742179 MRCQPSNCVMPCFA-KXBFYZLASA-N 407.492 0.560 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834161960 RMUJWJGGTARMSX-UWJYYQICSA-N 420.510 0.372 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cn(C)cn1)CCO2)C(F)(F)F 1834449585 XUGMFCHCRTWLSU-INIZCTEOSA-N 402.373 0.609 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)C)on3)CCO2)C1 1834491694 GWVOCZCGAIMVCG-KKSFZXQISA-N 419.478 0.906 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)[C@H]3CNc4ccccc43)CC2)CC1 1834731044 WWAYTXJTIIZSFG-IBGZPJMESA-N 424.501 0.855 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1835054035 LOGFBMPIBYNEMO-MAUKXSAKSA-N 421.542 0.043 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1835097044 QFTIIXPWADQUMB-HSZRJFAPSA-N 422.437 0.762 30 20 HCED CN(C)c1ncc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)o1 1837387922 CBLNXIXIUDLSBY-UHFFFAOYSA-N 418.450 0.441 30 20 HCED C[C@H](CN)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837829915 JOAONQZLYNDGLU-MRXNPFEDSA-N 407.559 0.862 30 20 HCED CN1CCC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc(C#N)c[nH]4)CCO3)C2)C1 1838739364 RSOUMAGLCCQSJO-UWJYYQICSA-N 415.494 0.298 30 20 HCED Cc1cnn(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cccc(C#N)c2)CCO3)c1 1838906192 XKPMVVTYPQHGRN-JOCHJYFZSA-N 423.473 0.833 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1839389371 LSOVLCIYGLKRJG-OWMRDYPQSA-N 416.434 0.127 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839620136 AUTZGVWKWVRBGJ-NRFANRHFSA-N 414.437 0.957 30 20 HCED C[C@@H](C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1)n1ccnn1 1839709976 YUWQCSRDYUBVMU-HRAATJIYSA-N 424.461 0.481 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3ccnc3C)CCO2)C1 1839716382 ZBMOKFSFPIGCCO-SFHVURJKSA-N 412.437 0.859 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)ccn3C)C2)C1 1839843359 ZNWXBOBVQIJFBV-IERDGZPVSA-N 403.479 0.668 30 20 HCED CCOc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1 1840162484 YIRCMSISKLUBBZ-SCLBCKFNSA-N 410.496 0.264 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCN(C)C3)C2)C1 1840294539 KKBSPKVFXBSAAX-KNQAVFIVSA-N 405.539 0.978 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C1(C#N)CCC1)C2 1841301450 ZSPBXPNHJIXERA-CQSZACIVSA-N 406.483 0.769 30 20 HCED N#Cc1cccc(C(=O)N2CCCC23CN(C(=O)CN(CCO)CCO)C3)c1Cl 1844736143 UQRCOYQUBXSQSU-UHFFFAOYSA-N 420.897 0.315 30 20 HCED CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1CCCC12CN(C(=O)C#CC1CC1)C2 1845221044 BEZJZAZHSQVGQX-MRXNPFEDSA-N 405.495 0.879 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@H]1O)C2 1845959178 OQQSUKSPYIWREV-FOIQADDNSA-N 405.495 0.831 30 20 HCED C#CCCCC(=O)N1CCCC12CN(C(=O)Cc1cn3c(nc1=O)SCC3)C2 1846373963 FCBJJEQZFVRFGD-UHFFFAOYSA-N 400.504 0.898 30 20 HCED CC#C[C@H](CC(=O)N1CCCC12CN(C(=O)Cn1cnnn1)C2)c1ccc(O)cc1 1846415687 AIALSABSRUGAGU-QGZVFWFLSA-N 408.462 0.779 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1847082287 QZFZTHASUCZRDR-QVKFZJNVSA-N 423.510 0.668 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C/N=C/c1ccco1 1847784059 FBBUWDQDUTUBNQ-VUJBSBJTSA-N 410.496 0.228 30 20 HCED Cc1nc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@@H]2CCCCO2)c(=O)[nH]c1C 1848322524 ZEAOMHQDAZUWFS-KKEKXMDQSA-N 417.466 0.731 30 20 HCED N#Cc1ccnc(N2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1 25941147 XQARSMOMUQSRGI-UHFFFAOYSA-N 414.491 0.751 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 43286260 JZOGQSCICNYVDU-UHFFFAOYSA-N 404.408 0.196 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1 48548286 ZNNHVNKPOYYGFS-UHFFFAOYSA-N 404.514 0.554 30 20 HCED CN(CC(=O)N1CCN(Cc2cscn2)CC1)S(=O)(=O)c1ccc(C#N)cc1 55437022 SIKMDETXBLLYBQ-UHFFFAOYSA-N 419.532 0.980 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCN(Cc2cc(=O)n3ccsc3n2)CC1 216301130 XNFXTZCGQZUFRO-IBGZPJMESA-N 402.524 0.928 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCc2cc(C(N)=O)co2)n1 427501690 IYYACGYRMAQNRK-UHFFFAOYSA-N 412.793 1.344 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2CN(S(C)(=O)=O)C2)cc1 429178340 CUDUKRYKROAQCR-UHFFFAOYSA-N 416.525 0.506 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1=O 440279492 SWCGWOIMMJZMBV-CYBMUJFWSA-N 418.406 0.940 30 20 HCED CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 440975563 GJCQTRHMXSIDNI-KRWDZBQOSA-N 421.461 0.999 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C 441458520 OMSJQDXIJMROSC-KRWDZBQOSA-N 402.451 0.895 30 20 HCED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)C2)n1 444501231 GQKPZVYDJNUPBP-HNNXBMFYSA-N 409.450 1.316 30 20 HCED CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)[C@@]12CCCO2 460663533 SXKPIQFPHQWMHM-MRUHUIDDSA-N 424.461 1.229 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)c2n(C)c1=O 465138068 JWEMOTSOEGTZPL-KRWDZBQOSA-N 420.473 0.275 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)C(=O)OC)cc1 465355367 VEIKFOHUJXCVSP-UHFFFAOYSA-N 411.480 0.747 30 20 HCED COc1cc([C@@H](C#N)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc(OC)c1OC 468999339 LJHBVORAADOGTJ-LSDHHAIUSA-N 404.467 0.803 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@H](Oc4ccncc4)C3)n2)cc1 469549745 OIXMEUJFTVQYCY-SFHVURJKSA-N 417.429 1.211 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 472057283 GMKHLBLEJJYZRV-HNNXBMFYSA-N 422.507 0.588 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(C(F)(F)F)n[nH]1 481912324 WGAOFCBYGSAWFT-QMMMGPOBSA-N 402.358 0.678 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)cn1C 483524208 MCSWHKSJGKROEV-UHFFFAOYSA-N 422.555 0.720 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 485096925 XOTBNFPTRAAWRR-VLIAUNLRSA-N 403.435 0.928 30 20 HCED CC1CCN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 486107624 YMLNOJQRELVNKU-UHFFFAOYSA-N 412.537 0.841 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2nccn2C)CC1 488230143 KQVUKWOWTHVBDL-AWEZNQCLSA-N 402.480 0.307 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2cccc3c2OCO3)c1=O 488991505 HWQPWCCGHGIJMV-CQSZACIVSA-N 410.451 0.933 30 20 HCED Cc1ccoc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(Cc2ccon2)c1=O 489033917 DBBXXWGCMPQIIJ-ZDUSSCGKSA-N 411.439 0.956 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)Nc2cccc(C)c2C#N)CC1 490385785 LHXMVPNAFHUMNE-MRXNPFEDSA-N 415.494 0.491 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c(Cl)c1 490412819 UZOKVUXYMHERCA-UHFFFAOYSA-N 419.869 0.153 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 502556057 FMTGHJYPPLDJIW-UHFFFAOYSA-N 413.521 0.872 30 20 HCED C=CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 504024102 UKHPLXUGUVKDGV-GJZGRUSLSA-N 421.519 0.799 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 504563573 ODSCHPQXSWOFRS-GOSISDBHSA-N 406.446 0.728 30 20 HCED COC(=O)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C(=O)OC)C1 504872797 KIGSNSCLTDYPOW-JKSUJKDBSA-N 422.459 0.426 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(F)cc1 505698868 CWFZHDJAPXTOIG-UHFFFAOYSA-N 423.473 0.885 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 508855844 IRBZXYWRICIYGA-SJORKVTESA-N 406.531 0.979 30 20 HCED C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 508956504 QHWRYFQSWQEJBD-HNNXBMFYSA-N 418.885 0.999 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2OC)c1=O 514489913 BLTUFTKPGUICAO-CQSZACIVSA-N 413.499 0.759 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NC2CCN(S(=O)(=O)CCC)CC2)CC1 519764225 FOQSECUXCFZMIK-UHFFFAOYSA-N 414.572 0.464 30 20 HCED COCCN(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 524023887 KVUQPVMULAJCBB-UHFFFAOYSA-N 408.524 0.653 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)C1=O 536489558 BJKPRQUMGZPYEV-CYBMUJFWSA-N 403.435 0.975 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 540369228 FQBYFSVWHBNSPD-ZDUSSCGKSA-N 413.496 0.575 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 544307068 NAKWNXFUGKOJPO-UHFFFAOYSA-N 417.466 0.784 30 20 HCED N#C[C@H]1CN(S(=O)(=O)CC2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 561512017 LLUZIZQVJFLPTE-SFHVURJKSA-N 411.549 0.851 30 20 HCED CCSc1cc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)ccn1 568922813 KAPBBFDTNLJBEG-UHFFFAOYSA-N 401.496 1.078 30 20 HCED CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1(C)C 572654045 QWYBZLYENXZETM-MGPUTAFESA-N 412.450 0.760 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)cc2)ccn1 574849471 QRBQBCODYBDACD-SJORKVTESA-N 409.402 0.833 30 20 HCED C=CCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 596103578 DRJQWVVOSBOALO-HNNXBMFYSA-N 411.466 0.429 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 609128957 YOMGOZPYRGLGAL-RBUKOAKNSA-N 415.469 0.662 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 609516827 RJJLRUDTLJPHTB-RTBURBONSA-N 405.543 0.392 30 20 HCED Cc1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1S(N)(=O)=O 615955874 WGIYGDHKZLHMLF-UHFFFAOYSA-N 402.480 0.518 30 20 HCED CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 727645734 BNAYFSXCWFUWGC-CYBMUJFWSA-N 424.548 0.931 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)CC1 729257109 RONJIXKIMKUTQI-UHFFFAOYSA-N 406.446 0.073 30 20 HCED N#C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 733946552 NCTFROGPWURIDI-KRWDZBQOSA-N 423.498 0.962 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 735857852 UETCDUCYJXEHBE-IWHJNQCMSA-N 420.466 0.163 30 20 HCED O=C1NCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1cccs1 742846949 FOYRSKQFSXWHQC-INIZCTEOSA-N 418.500 0.876 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 743992363 IBBBENUESZUTFF-BLLLJJGKSA-N 413.409 0.820 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C 745540179 KXNYEBCWKZDFCO-LBPRGKRZSA-N 412.468 0.535 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cn1 746363511 DXQUPVUHNJTFOY-UHFFFAOYSA-N 421.461 0.079 30 20 HCED C[C@@]1(c2cccc(-n3cnnn3)c2)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2)C1=O 749671109 JGYKYKXSCCFIMA-FQEVSTJZSA-N 416.401 0.940 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1=O 749964292 RCOYPEZVNAZTKM-ZDUSSCGKSA-N 403.405 0.070 30 20 HCED COC(=O)[C@@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 751643834 TYMOZSVBUGLMHE-HNNXBMFYSA-N 408.370 0.575 30 20 HCED COC(=O)[C@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)c1cccc(C#N)c1 751649593 MJACYLPMLWCYHA-OAHLLOKOSA-N 410.386 0.518 30 20 HCED CCc1ncc(C=c2sc(=C(C#N)C(=O)NCCOC)n(C3CC3)c2=O)s1 752191571 WRLSOEJAOCMARF-UHFFFAOYSA-N 404.517 0.529 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(CCc2ccccc2)[C@@H]2CCOC2)c1=O 753101670 JOAGXFALLXOALT-LJQANCHMSA-N 412.490 0.835 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(F)c(C)c2)c1=O 758049938 LGYKOCPDHQXZET-CQSZACIVSA-N 413.474 0.645 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758077761 YOLIDSYDVTWSOY-UHFFFAOYSA-N 408.439 0.577 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)c1 758226813 PKWYJFZFSREHOB-VDVBZYJVSA-N 420.495 0.741 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)CC1 761033198 UDOBVPAQLDSEHP-JKSUJKDBSA-N 410.565 0.885 30 20 HCED NC(=NOCC(=O)N1CCC2(CC1)OCCO2)c1ccc(N2CCC(O)CC2)cc1 761313957 VCGXRXKYWVWZAM-UHFFFAOYSA-N 418.494 0.650 30 20 HCED COCC#CCOC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 762776481 GGZGEYICSVHJNF-UHFFFAOYSA-N 422.459 0.962 30 20 HCED CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 764878314 YNLARSQKJIVMGX-IHWMJMDHSA-N 413.521 0.752 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCCc2ccc(S(N)(=O)=O)cc2)c1 767550401 XPCOXVZITYFFSH-UHFFFAOYSA-N 422.484 0.645 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)C1=O 771748489 XDZIMIAUAFHEKE-STQMWFEESA-N 408.455 0.820 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)[C@H]1CCCO1 773793102 GCFFGIOUQFSJSZ-QZTJIDSGSA-N 419.441 0.780 30 20 HCED C#C[C@H](N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCCO1 775794766 SOSNEOGILCAAOH-YZGWKJHDSA-N 419.547 0.987 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 780670515 LMIPESSHSCKTST-OAHLLOKOSA-N 415.450 0.512 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 783001035 ZFKFZCKHBGXFEO-UHFFFAOYSA-N 408.524 0.474 30 20 HCED CCOC(=O)CON=C(C(=O)NCCN1CCc2sccc2C1)c1cc[nH]n1 789969718 YKKFWIWKTYMJKI-UHFFFAOYSA-N 405.480 0.930 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3c(C)cnn3C)c2=O)c1 795196564 YETZUYSPTFVWGK-UHFFFAOYSA-N 403.467 0.171 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnn(CC(F)(F)F)n1 799500178 VLCYMURYJAAUCG-VIFPVBQESA-N 418.357 0.517 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 800659365 UGDXNKFMHMYDHC-OCCSQVGLSA-N 411.455 0.610 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(F)c1 802554742 OOHSTXFZWVOWMV-MRXNPFEDSA-N 406.433 0.944 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 807542726 BZYHCYHDJUDKEM-OAHLLOKOSA-N 419.503 0.958 30 20 HCED COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCNc2ccc(C#N)cn2)C1 807689372 FVGICYKTTXYJLR-MRXNPFEDSA-N 408.462 0.885 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 810780769 QEHZWURABOLUJL-UHFFFAOYSA-N 420.896 0.444 30 20 HCED Cc1cc(C#N)cnc1C(=O)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 815988656 RZRIMQGKBWKUNA-UHFFFAOYSA-N 412.424 0.891 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCOC 838167321 NJUWWLSSUCJQMN-UHFFFAOYSA-N 401.488 0.594 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc3nnnn3n2)CC1 904516263 BMJHFXVNPARMEB-BFUOFWGJSA-N 414.470 0.722 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 965431886 PJVFYWGVNBLTGK-DWQYQCALSA-N 402.491 0.831 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1C(=O)CN(C)C1=O 1006480533 YBBTYQUIDXBBPW-JSEZXORMSA-N 404.467 0.110 30 20 HCED CN(C)C(=O)COc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1141829499 OQSSYOQGWIUAEZ-UHFFFAOYSA-N 416.459 0.942 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1309650827 PIJDHWFAJSEOEP-GHMZBOCLSA-N 403.254 0.865 30 20 HCED CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314537466 YMZAZISTKMMGHI-GOEBONIOSA-N 408.528 0.393 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cn(CC(=O)N(C)C)nn2)cc1OC 1344567515 HHIJETKCHACOGA-LBPRGKRZSA-N 400.395 0.345 30 20 HCED CCN(CCC#N)S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1464031400 YUBGQBOTLJNAQP-UHFFFAOYSA-N 415.541 0.119 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@]1(O)CCSC1 1513918475 RDCPCZGFLJVYNK-LJQANCHMSA-N 416.555 0.949 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCOC[C@H]2C)CC1 1637999949 USPGXPXTBSFHOD-HZPDHXFCSA-N 420.535 0.937 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC2(C#N)CCOCC2)s1 1666688948 WIBUAHGFCUVYPS-UHFFFAOYSA-N 421.566 0.829 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCO[C@H]1C 1690994197 XVCFYZBIEFLTCJ-DVZHBHJUSA-N 400.505 0.024 30 20 HCED Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 1693192122 ZAWBYJLJHQFTBE-ROUUACIJSA-N 420.470 0.640 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnnn1CC1CC1 1706602287 ZNVFEZKTAUIBJH-UHFFFAOYSA-N 412.502 0.991 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO 1751095333 WASFYVHJFYJYJT-IKGGRYGDSA-N 424.571 0.765 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)n1 1751853519 JCKSPQFRXRYQLZ-FCEWJHQRSA-N 401.471 0.408 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCN2CCOC2=O)C1 1778778202 ZZNXTRZPBFYJRB-CSODHUTKSA-N 423.510 0.934 30 20 HCED 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O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)/C=C/c1cnc[nH]1)CCO2 1840342009 QSSJIJPNBODMNU-WCYCAPIHSA-N 420.469 0.931 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)C(=O)c4cccn4C)CCO3)C2)C1 1840480445 NOQRRIFLQFOTSV-NRFANRHFSA-N 401.463 0.630 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cncn3-c3ccncc3)C2)C1 1840841132 DVEXCZWXKGFQIF-QFIPXVFZSA-N 423.473 0.751 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CCc2ccc(C#N)cc2)C1 1841006159 WUATZYDIDWWIAO-SFHVURJKSA-N 414.462 0.759 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)ON=C(C)C 1847786409 REOITZHGKRCQGA-KBXIAJHMSA-N 402.517 0.317 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 11387684 NAXQDQGRYPIKAV-SFHVURJKSA-N 402.363 0.788 30 20 HCED CCc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 30626943 ZWTYHTNPRNIXJE-UHFFFAOYSA-N 420.520 0.864 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)C1=O 116308151 NHGLNJPNYXHHGA-UHFFFAOYSA-N 400.391 0.074 30 20 HCED CC(C)CN/C(N)=N/CCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305769233 MANFBGVYVGMTHU-UHFFFAOYSA-N 406.530 0.351 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 409486160 LYVIFPKULRSRPI-KBXCAEBGSA-N 403.464 0.439 30 20 HCED Cn1cc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2=O)cn1 426854415 STFBLLLEWRJYMN-UHFFFAOYSA-N 415.475 0.987 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c1 428088066 ZWSHCCIDEXGTKX-XGCWNURASA-N 422.532 0.830 30 20 HCED CCN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccnc3C#N)CC2)CC1 428262041 RVYCNZYTFKDNSK-UHFFFAOYSA-N 405.524 0.908 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 430377993 KHMLFGIZUMPBSC-DWRORGKVSA-N 419.501 0.945 30 20 HCED Cc1ccc([C@@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H](C)S(C)(=O)=O)cc1 437096687 YRPJYNYISNXJLY-YOEHRIQHSA-N 417.491 1.334 30 20 HCED CC(C)(C)[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(N)=O 439804812 MAYMKJVLBOQEGO-CQSZACIVSA-N 402.842 1.352 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1=O 440258226 HPSCCVHMHBWFID-CQSZACIVSA-N 413.438 0.163 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2ccccc2O1 442239405 FZEFDGGBHDHVHY-LJQANCHMSA-N 420.425 0.688 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)CC1 444410050 ZPMYIAYMSKWSTB-LJQANCHMSA-N 421.436 0.977 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)cn1 460611556 VHNSUVVRAPBLOE-UHFFFAOYSA-N 422.493 0.317 30 20 HCED CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 461292459 IZXIXTOYNXCBGE-HNNXBMFYSA-N 402.480 1.448 30 20 HCED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@]2(C#N)CCOC2)CC1 478656972 CYMFKHXWGWPZCH-LJQANCHMSA-N 421.475 0.673 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2CS(=O)(=O)c2ccc(C#N)cc2)cc1 479681172 ZJCDOZWFQGMTFU-UHFFFAOYSA-N 403.445 0.911 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C(=O)C2CC2)CC1 480474966 XIVPLAFEOFVPRY-ZDUSSCGKSA-N 404.492 0.742 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 488265804 RFLDVYGIBMNCPA-QGZVFWFLSA-N 412.494 0.250 30 20 HCED N#Cc1ncn(CCNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 490158588 SKIOIMPZPRIUNP-UHFFFAOYSA-N 416.873 0.451 30 20 HCED COc1ccc(C(=O)NCCN2CCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1 499990799 IBPHHLRDIZUZAA-UHFFFAOYSA-N 411.462 0.980 30 20 HCED COc1ccc(OC)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)c1 501806694 QVHIGSWRAYDWAE-HNNXBMFYSA-N 424.523 0.771 30 20 HCED CCOC(=O)CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 502192526 DDVNWBNKLKNLNZ-UHFFFAOYSA-N 401.423 0.950 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 512313146 IGGYBLZNTXAQMW-UXHICEINSA-N 414.506 0.855 30 20 HCED COCC(=O)N1CCC(NC(=O)N2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)CC1 513998071 YRKXRJBFCPQIGX-SPLOXXLWSA-N 411.462 0.679 30 20 HCED CC(=O)N1CCc2cc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)ccc21 525848868 IGSKKVMIHCCFJA-UHFFFAOYSA-N 409.450 0.802 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 526096722 CVEKDXHEFYYGIS-UHFFFAOYSA-N 407.438 0.533 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(CCc2cccs2)c1=O 533579484 DCGNBMQATFSSEO-UHFFFAOYSA-N 413.528 0.679 30 20 HCED C=CCCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 533797249 LNJQDAWJKJGSQE-UHFFFAOYSA-N 404.510 0.579 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)C4CC4)CC3(C)C)CC2)o1 537410634 HERFDOSYOYELBP-UHFFFAOYSA-N 414.510 0.836 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CCSCC2)cc1C 538588914 XCQAQFQQRKXRSO-UHFFFAOYSA-N 404.492 0.541 30 20 HCED COCCN(CC(=O)N(C)C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 539363751 SLEHQSNZINVKHA-LJQANCHMSA-N 419.501 0.571 30 20 HCED CC(C)(O)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 539367934 CUXCULNWHHOMLI-QGZVFWFLSA-N 405.568 0.845 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 543866894 JJFMXZGTEDAZEM-UHFFFAOYSA-N 408.461 0.165 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(NC(=O)C4CC4)CC3)n2)c(F)c1 548304274 BOSOSPMIZDQWFO-UHFFFAOYSA-N 424.436 1.339 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 554152967 ZJXJNVARSFDLFZ-DZGCQCFKSA-N 413.521 0.508 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3cccc4c3OCO4)CC2)c1C#N 556649770 UPTDBRYHVQAIDS-UHFFFAOYSA-N 410.434 0.294 30 20 HCED CN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 557344465 VBBXAPWIPQJDLV-UHFFFAOYSA-N 408.480 0.136 30 20 HCED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 576889825 OIGDBLRYZUFMEO-KRWDZBQOSA-N 410.478 0.718 30 20 HCED C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(S(=O)(=O)c2cccnc2)CC1 583533585 AAYZMDBEADVPRU-UHFFFAOYSA-N 414.495 0.771 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N[C@H]3CCc4c[nH]nc4C3)C2=O)cc1 584298952 AGQRGALQIUIWLZ-DLBZAZTESA-N 406.446 0.172 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)C2 586810404 JMQJTRSGDYWZGW-UHFFFAOYSA-N 414.441 0.464 30 20 HCED CN(CCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F 586857531 YTELCPISFKTCHZ-UHFFFAOYSA-N 412.416 0.649 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CC1 609437578 BJCTYMDZTSDSKR-UHFFFAOYSA-N 419.445 0.984 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 610596924 VRGPWDCZQFTFIL-YWZLYKJASA-N 411.466 0.505 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 611073275 SISOJFZBPMXYBI-ZDUSSCGKSA-N 422.511 0.537 30 20 HCED C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 642188732 CRQFBRFPWPYIPS-KURKYZTESA-N 416.588 0.771 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)C1=O 672111719 OLRBEASTUVWSAM-RHSMWYFYSA-N 414.462 0.162 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)NCc2ccccc2OC)C1=O 726043874 UQLVLIQXWXIMOL-LBPRGKRZSA-N 403.391 0.220 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 732256812 PQCXHFBMQZHBLC-UHFFFAOYSA-N 406.508 0.753 30 20 HCED N#C[C@H](C(=O)CCc1nc(-c2cccs2)no1)C(=O)N1CCS(=O)(=O)CC1 732907662 BTVYDZSRJTUDPE-LLVKDONJSA-N 408.461 0.697 30 20 HCED N#C[C@H](C(=O)CCc1cnn(-c2ccccc2)c1)C(=O)N1CCS(=O)(=O)CC1 732910632 SRKJIQUMJVTHQR-QGZVFWFLSA-N 400.460 0.771 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCc3noc(C)n3)cc2)CC1 733148892 MULVHAKZWZNAKZ-UHFFFAOYSA-N 411.462 0.854 30 20 HCED N#C[C@H](C(=O)c1cccc(Oc2cnccn2)c1)C(=O)N1CCS(=O)(=O)CC1 737343109 SSTWTHJMHRQRMP-OAHLLOKOSA-N 400.416 0.848 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C#N)o2)c1=O 743725638 WFUPATCBFBGAPI-UHFFFAOYSA-N 421.438 0.558 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CC2)cc1 747773266 ZHHXRYBMRALFNA-RCCKNPSSSA-N 408.480 0.327 30 20 HCED N#C[C@H]1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CCN1Cc1ccccc1 749995697 JCPPVVPZOAMTNA-LPHOPBHVSA-N 411.487 0.953 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)cc1C#N 752411267 PJHRUNDRKBHQLB-ZDUSSCGKSA-N 408.436 0.759 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O 756458959 MTZHDAUDSCNJSK-MOPGFXCFSA-N 410.438 0.484 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 758050475 SSMJOWKYQRXWNM-HNNXBMFYSA-N 417.494 0.657 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2sc(C)nc2C)c1=O 758050638 GWYDUENEFZYWJK-UHFFFAOYSA-N 400.529 0.892 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OCC)C2CCOCC2)cc1 759950323 VWRCIEJCSQOTTC-KRWDZBQOSA-N 408.476 0.686 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 761033162 SWHGEOCANVCJKX-CABCVRRESA-N 412.943 0.991 30 20 HCED C#CCCN1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 762298411 KVLXVOFXZNITSY-QFIPXVFZSA-N 411.506 0.602 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC(=O)N(C2CCCCC2)C1 766793332 VUNUANOKJGABQJ-ZDUSSCGKSA-N 404.492 0.775 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)ccc1F 770893058 BLPFDEGICHDEKF-CYBMUJFWSA-N 419.500 0.444 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C 772401732 IANQZCPOVRTHRO-FOCLMDBBSA-N 407.452 0.551 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1)[C@@H]1CCCO1 773795635 WGXOIZRVUJUMOY-HOCLYGCPSA-N 410.434 0.784 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 776116591 VVMYFNQADJCMNO-UHFFFAOYSA-N 403.457 0.974 30 20 HCED C#CCN1CCC[C@H]1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 777478043 BAQMPAVGYJKOCM-INIZCTEOSA-N 405.476 0.045 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)cc1 777770403 MHBMPPOPMAMION-INIZCTEOSA-N 423.491 0.032 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)cc1 783348286 WPROAAKSHRFHKY-UHFFFAOYSA-N 403.482 0.104 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 785072354 CUHJSQGBDDIWHA-GOSISDBHSA-N 406.442 0.326 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NOC[C@@H]2CCOC2)c1 788345877 XAOCGZHBHIDWJR-IQQDNESTSA-N 424.479 0.522 30 20 HCED COC(=O)c1cncc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 788665303 QJZDVOWIGXNDKQ-JSGCOSHPSA-N 410.452 0.906 30 20 HCED COC(=O)c1c(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n[nH]c1C 792783878 DQSIJWQQJMCFOX-AWEZNQCLSA-N 417.447 0.456 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3ccc(C)cc3)C(=O)C2)c1=O 795635657 QALDOMLKYCVGLF-UHFFFAOYSA-N 411.462 0.158 30 20 HCED C=CCn1c(COC)nnc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 800776830 JCEIBVBRQNYAIC-UHFFFAOYSA-N 402.480 0.882 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(F)c1 802558374 OMLIMCLYDWHSLS-BONVTDFDSA-N 401.373 0.928 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1[C@H]1CCCO1 804394382 QNAFPTUDXWFVEA-HZPDHXFCSA-N 407.492 0.912 30 20 HCED C[C@H](CC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 805272380 NPSRFOXQJFEFMA-HUUCEWRRSA-N 418.519 0.975 30 20 HCED CC(C)(C)[S@@](=O)CCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 806196820 PSNPPVCJNMKECN-OFJJUDJNSA-N 418.519 0.439 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC 807016861 WIPJRJLKRVNXKC-UHFFFAOYSA-N 406.460 0.539 30 20 HCED 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ORRYPZHDLARGIO-UHFFFAOYSA-N 406.435 0.026 30 20 HCED Cc1c(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)cnn1C 1838906527 NZPAPJQDZMQCTL-JOCHJYFZSA-N 423.473 0.984 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(C)c1 1839026187 KURDYPNBEYGKEG-NRFANRHFSA-N 416.430 0.162 30 20 HCED COCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(OC)cc1C#N)CCO2 1839132209 ZLKPTLTYFLNRRE-NRFANRHFSA-N 417.462 0.212 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1839222779 AAAMCBPDDRNLTP-YWZLYKJASA-N 421.450 0.720 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(N3CCOCC3)c1)CCO2 1839345234 VQJLZCCJWMICEM-QFIPXVFZSA-N 413.474 0.226 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1O 1839472663 IZYDUMWPLTYDAJ-HXUWFJFHSA-N 416.434 0.334 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C(\C)NC(C)=O)CCO2)C1 1839646931 GSGCJWCWGQGCCZ-ZWPJVJPNSA-N 423.510 0.056 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1840168621 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IHFAGMOYNITSPO-HNNXBMFYSA-N 413.409 0.041 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)c1 53744544 CQHOZQZCFUOHFO-UHFFFAOYSA-N 403.416 0.226 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 410143037 AOMLUGRIHZMTKO-SQNIBIBYSA-N 406.508 0.840 30 20 HCED Cc1nnsc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 426035817 KTKBILAHAJJMDM-UHFFFAOYSA-N 406.493 0.934 30 20 HCED C[C@@H](CO)N1CCCN(c2ccc(C#N)c(N3CCCN([C@@H](C)CO)CC3)n2)CC1 436349960 FFLWISCBPFOGDQ-OALUTQOASA-N 416.570 0.739 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@@H](C)C[S@](C)=O)cc1 442021803 IVMXTHODRLXQAH-NRRJATNASA-N 415.537 0.657 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)OC)[C@@H]2C(=O)OC)cc1 442107642 FPHYQXKUSKGZHP-JKSUJKDBSA-N 424.475 0.718 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1=O 442244783 PGCLBNIZBUYAOO-UHFFFAOYSA-N 424.413 0.511 30 20 HCED N#CCN1CCC(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 464972737 NCZWJGYWSYFZAI-UHFFFAOYSA-N 404.536 0.882 30 20 HCED N#C[C@@H]1COCCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 471227067 HPUUSSSZASRUFD-QGZVFWFLSA-N 406.508 0.702 30 20 HCED C=CCN(CCOC)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 482354077 DXJXEKJONACRCK-UHFFFAOYSA-N 409.508 0.814 30 20 HCED C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)c1c(C#N)c(=O)n(C)c(=O)n1C 486016561 HIYUWEOJHGPGCX-CYBMUJFWSA-N 417.491 0.693 30 20 HCED CC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 486481202 SSOHPMFVNMQZJM-QZTJIDSGSA-N 413.478 0.596 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 487801488 PMFGMZVGPXIOAH-KRWDZBQOSA-N 416.526 0.823 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3csnn3)cc2)CC1 491156634 OYXGLLXSJIZJEW-UHFFFAOYSA-N 414.491 0.590 30 20 HCED C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)cn2)C[C@@H](C)O1 506547778 JQDSQDFZGXWJHP-ZIAGYGMSSA-N 420.445 0.312 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 507791730 FIEOMNRANPRHIX-RDJZCZTQSA-N 423.477 0.708 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(C)(C)CN1CCOCC1 508889023 QPZUFRAVCZDRPU-OAHLLOKOSA-N 414.576 0.869 30 20 HCED CCOC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCCOC1 511653941 PCEJMSQXPYGFSF-FUHWJXTLSA-N 408.476 0.948 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)n(CCC#N)n1 533321867 IVQODNUPJRGJJA-MRXNPFEDSA-N 424.461 0.840 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H](O)COCC3CC3)n2)c(F)c1 541137135 LSKAWODPZOOYAC-CQSZACIVSA-N 401.398 0.725 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543961536 WNGUJKJKLYPWAG-NSHDSACASA-N 407.427 0.713 30 20 HCED CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)CC1 550380483 LEWPHRGYMTXZNN-UHFFFAOYSA-N 412.494 0.685 30 20 HCED CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 551544477 WFEBXYULOKRYHZ-UHFFFAOYSA-N 406.446 0.990 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 552761229 LGELRIZBMSCQAU-MOPGFXCFSA-N 416.522 0.692 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(C(=O)C(=O)NC4CC4)CC3)C2)c(F)c1 553154520 DQRPKDBZYFPYAS-HNNXBMFYSA-N 413.453 0.473 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 555456678 WEKVOLDJPLJPGH-UHFFFAOYSA-N 417.443 0.588 30 20 HCED CC(C)(C)c1csc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1C#N 559830532 GJYYMLLKEAKHND-UHFFFAOYSA-N 401.452 0.630 30 20 HCED C=CCOC[C@@H]1NC(=O)N(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1=O 560980960 MORPLUSOSZBAAF-INIZCTEOSA-N 409.464 0.331 30 20 HCED CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCC3(C#N)CC3)c2)CC1 569546263 MZSDVYQCGKMKKI-UHFFFAOYSA-N 419.507 0.371 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1=O 576353877 LZXVEDZQNIVHPH-CYBMUJFWSA-N 414.384 0.884 30 20 HCED N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCc2ccc3c(c2)OCO3)c1=O 578566956 TWIOHCZWYKAIAY-UHFFFAOYSA-N 410.430 0.597 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCc2cccc(C#N)c2)c1 579146890 BWQVNMLZVSVFMD-UHFFFAOYSA-N 414.487 0.897 30 20 HCED COc1ccc2[nH]cc(CCNC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2c1 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C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)[C@@H](O)N4CCOCC4)CC3)CC2)C1 1833049477 DKMOHERYSTWLHP-JOCHJYFZSA-N 420.554 0.175 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C)c3F)CCO2)C1 1833671297 PKKVZYBAEFNZIP-JLTOFOAXSA-N 424.473 0.500 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1 1834400720 XEXMXZFTHXGGIQ-QGZVFWFLSA-N 423.514 0.315 30 20 HCED C[C@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834753367 HSJPKZQTBBDZLO-JXFKEZNVSA-N 401.467 0.362 30 20 HCED CC(C)(C)OC(=O)CCCC(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756118 ROEJLJJOVRFIST-FQEVSTJZSA-N 409.483 0.868 30 20 HCED Cc1cnc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)cnn2c1 1835342246 VOAPMIXKYZBZIS-NRFANRHFSA-N 424.461 0.412 30 20 HCED CCc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1C 1835344467 GVEIQTAGFXLACI-FQEVSTJZSA-N 401.467 0.356 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CSC(=N)N)CCO3)C2)cc1 1835514524 NMPKDRPYKJYNHJ-LJQANCHMSA-N 417.491 0.255 30 20 HCED C#CC(=O)N1CCC(N2CCC(NC(=O)c3cccc4c3NC(=O)C4=O)CC2)CC1 1835623947 OLIHXHBMDRNTLU-UHFFFAOYSA-N 408.458 0.640 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)c3ncnn3C)CC2)CC1 1835713918 NYISPYOMKGJXBR-KRWDZBQOSA-N 418.542 0.573 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCC(N2CCC(NC(=O)c3ncon3)CC2)CC1 1836045197 NQKAEINLJOANFJ-UHFFFAOYSA-N 417.514 0.537 30 20 HCED O=C1C[C@@H](C(=O)N2CCC(OC3CCN(C(=O)C#CC4CC4)CC3)CC2)CCN1 1836826260 MWKPKIHKEKHRBR-KRWDZBQOSA-N 401.507 0.925 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3cnc[nH]3)CC2)CC1 1836859484 JBWHEEOKVDDTES-INIZCTEOSA-N 402.495 0.989 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccnc(Br)c1)CCO2 1837812069 LZQIFIMODGYMRV-KRWDZBQOSA-N 408.252 0.547 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(O)[nH]1)CCO2)C(F)(F)F 1838071429 NVAFOLBQOJKHFP-OAHLLOKOSA-N 404.345 0.304 30 20 HCED Cc1nccnc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1838211556 ULJDTIUUNUGDOQ-QFBILLFUSA-N 408.524 0.809 30 20 HCED C[C@H](O)C(=O)N1CCC(OC2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1838403695 FRMRWBLVLIWFHJ-FLWJNDPBSA-N 411.499 0.895 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1839226660 CUMCTWPDAPYQAU-OXQOHEQNSA-N 421.498 0.897 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C)COC4)C3)C2)c1 1839450725 FKBUMQVBPHPUCH-JOCHJYFZSA-N 413.474 0.973 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccnn1)CCO2 1839705789 RTPVAFBJBOYQPD-VKJFTORMSA-N 411.528 0.250 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)c3ccc(F)cc3)C2)C1 1839809820 NDUYFBKGYBYNIM-FPOVZHCZSA-N 417.437 0.093 30 20 HCED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1839827816 NTEVTXRNGJWBRL-JOCHJYFZSA-N 413.474 0.926 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839886347 XVCVWKGESWHYBH-QGZVFWFLSA-N 403.426 0.180 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839898550 FMGCDRCVILNPIB-FQEVSTJZSA-N 406.479 0.590 30 20 HCED Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)cc1 1839939246 JVDOHRHRTVHIJE-QFIPXVFZSA-N 414.458 0.472 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4cnccc34)C2)C1 1840042233 HTPFCVGAJVBKMV-JOCHJYFZSA-N 423.425 0.393 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(N(C)C)cn3)C2)C1 1840158432 LJKBOQPJWUXGDV-LIRRHRJNSA-N 408.524 0.536 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(cnn4C)c3)C2)C1 1840160399 GONPTQLVDCNNML-VBKZILBWSA-N 418.519 0.962 30 20 HCED CSCC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840198719 WSCYXZMNSDWOGR-APWZRJJASA-N 422.507 0.070 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCc3nc[nH]c3C1)CCO2 1840366583 XQAIFTCZNAGSOT-HRAATJIYSA-N 400.479 0.384 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC4(O)CCC4)CCO3)C2)c1 1840595126 LQKXDRONMPYBFZ-JOCHJYFZSA-N 413.474 0.933 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)C13CC(C1)C3)CCO2 1840599535 UNLQTGCVPLRREB-PSGUAHCZSA-N 416.518 0.942 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CC(c4ccccc4)=NN3)C2)C1 1840844364 RGQMAWCUXDGRCS-NZQKXSOJSA-N 424.501 0.622 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)C1 1842057018 ZHSSVGAWHKRHTM-KGLIPLIRSA-N 414.462 0.234 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)c2cccc3c2NC(=O)C3=O)C1 1844126347 KNFHMLJYFRFOED-UHFFFAOYSA-N 423.473 0.920 30 20 HCED Cn1ncc2c(N3CCN(C[C@H](O)COc4ccc(CC#N)cc4)CC3)ncnc21 25307847 APSUDQQTYIXIFB-KRWDZBQOSA-N 407.478 0.991 30 20 HCED CCCNC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 57296787 OBFQIGNHUGVAOM-UHFFFAOYSA-N 407.496 0.490 30 20 HCED C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1 251860391 SJULAZOLRMSVEM-LPTQZCDUSA-N 400.527 0.609 30 20 HCED N#CC1(NC(=O)Cn2c(=O)oc3cc(S(=O)(=O)CCO)ccc32)CCCCC1 430144146 YZZUDYXBHWKVNL-UHFFFAOYSA-N 407.448 0.703 30 20 HCED C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2)C(=O)OC 435941874 LMFQDUOAEWEWTO-GJZGRUSLSA-N 404.419 0.880 30 20 HCED CNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)s1 443018925 BZZAELVUTHNDBI-UHFFFAOYSA-N 416.462 0.915 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1C#N 446519124 SWENNPSRMDLFCF-OAHLLOKOSA-N 409.464 0.292 30 20 HCED COCCN(C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 446548584 YILBRYRVYMYLQX-HNNXBMFYSA-N 423.491 0.946 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 446672617 PULNRLLDCPRWFI-UHFFFAOYSA-N 424.299 0.537 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 460574628 LAZKIBOGVBRKBA-DZGCQCFKSA-N 409.450 0.841 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H]1COc2ccccc2O1 460619759 NKTOAYRSVPZUGW-OAHLLOKOSA-N 418.413 1.342 30 20 HCED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCN1Cc1ccccc1 463733895 FOEIDYZIAWEAMN-GNVJSZRZSA-N 408.458 0.385 30 20 HCED C[C@H](C(=O)NC(C)(C)CN(C(=O)[C@@H](C)n1cnc(C#N)n1)C1CC1)n1cnc(C#N)n1 466328178 IXCZVGPQPBHAEU-CHWSQXEVSA-N 424.469 0.321 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](CO)O[C@H](C)C2)cc1 470947163 PSILNPWYJDNPBH-HIFRSBDPSA-N 411.480 0.040 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3ccc(S(=O)(=O)CC#N)cc3)ccc21 477500866 RGVOBGDPXZWEKN-UHFFFAOYSA-N 420.472 0.975 30 20 HCED N#C[C@]1(NC(=O)CCNS(=O)(=O)c2cccc(Br)c2)CCOC1 478655237 XFCNUHFOJDDQGY-CQSZACIVSA-N 402.270 0.916 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 480528911 SJVZIBVVQXUIKX-WMLDXEAASA-N 418.519 0.990 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(OCC(N)=O)c1 482376766 AGDXRTZOUHICKI-CYBMUJFWSA-N 416.459 0.406 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cn1 486193469 HPJSTQXZVWVQPO-UHFFFAOYSA-N 405.436 0.416 30 20 HCED C[C@]1(CO)CCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 493702734 AWLRTZQMAAKKEC-UYAOXDASSA-N 420.535 0.532 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(Cl)c1 503511719 YXGKZWJLFPQYMW-NSHDSACASA-N 405.885 0.183 30 20 HCED CCOC(=O)Cc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)s1 505070281 APWGOXZPHMHZCL-UHFFFAOYSA-N 423.476 0.775 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)cc(S(C)(=O)=O)c1 506535691 RAOWOZBRUXVFCQ-UHFFFAOYSA-N 411.411 0.669 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 508794489 KUYCEWYIKMQSSI-IRXDYDNUSA-N 404.515 0.685 30 20 HCED CN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 509164936 JDADSKLJFQUIFP-NSHDSACASA-N 402.454 0.511 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 514003699 SNKBNNZCSLZJOH-FZKQIMNGSA-N 405.480 0.369 30 20 HCED COC(=O)Cn1cc(CNC(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)nn1 514031988 ALLDLQTZKOEYAH-BLVKFPJESA-N 409.406 0.006 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 515211230 BLLCBNVNXFBVAD-UHFFFAOYSA-N 406.489 0.717 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 530893051 VMOQXMOJFQPOHJ-SNVBAGLBSA-N 400.485 0.447 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 533033871 VTDSHXPPQXXIKU-CQSZACIVSA-N 423.495 0.881 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCc2cnccn2)cc1 536625037 FRQGQGWIVFDQQO-UHFFFAOYSA-N 417.491 0.923 30 20 HCED CC(=O)NC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 538352883 RPGZIWFFBVZERS-VQTJNVASSA-N 417.485 0.371 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2OC(F)F)c(=O)n1C 538669943 CWOLGWYPTWPQHM-UHFFFAOYSA-N 423.441 0.622 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)c(F)c1 542988354 CDZUCXIWPZYFLK-KNCCTNLNSA-N 409.377 0.984 30 20 HCED CN1CC[C@](O)(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 545156633 YZRDHUWKOTYQGK-IBGZPJMESA-N 406.508 0.142 30 20 HCED N#Cc1cccc(N2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)n1 545475465 SGHFBAHEANAZNN-UHFFFAOYSA-N 413.419 0.214 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 550598226 HEQXWSLOYLLVHF-HNNXBMFYSA-N 424.417 0.329 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCC(=O)N2CCCCCC2)CC1 552933716 ASUFAKZKBMGMOZ-UHFFFAOYSA-N 412.494 0.511 30 20 HCED N#CCNC(=O)CNC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 553654005 QIMZUJXZUCEWHT-UHFFFAOYSA-N 406.508 0.940 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 555898833 XPGGHMCMMHIXKN-UHFFFAOYSA-N 405.476 0.931 30 20 HCED COC(=O)[C@H](CN1CCOCC1)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 558580399 IDRVULVVVUJGTA-AWEZNQCLSA-N 421.397 0.729 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 560053239 TZAARDTXUZVXOV-UHFFFAOYSA-N 418.417 0.216 30 20 HCED CC(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 561788069 MWWLKAUFGWIQSM-RDJZCZTQSA-N 415.469 0.908 30 20 HCED CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 566649582 JLNZXRZHSTXFCP-NXHRZFHOSA-N 406.508 0.547 30 20 HCED C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)CC1 574201913 GNOPONZMJNMJIK-UHFFFAOYSA-N 404.496 0.708 30 20 HCED CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 578816819 KUQQVHMLXPCNQQ-HGKJHCCASA-N 417.535 0.798 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 589069432 SKCGTHUGGSMEDI-GDBMZVCRSA-N 417.897 0.891 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)cc1 590554395 BISCRJWRAGJCFW-GOSISDBHSA-N 402.520 0.954 30 20 HCED CN(CC(=O)NCc1ccc(OCCO)cc1)S(=O)(=O)c1ccc(C#N)cc1 609044453 OSHNORDRRFLXPM-UHFFFAOYSA-N 403.460 0.866 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1=O 726043751 RFGYWSVHDGGUQW-JSGCOSHPSA-N 415.402 0.535 30 20 HCED CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CC(N)=O 732796748 HKACRGFQBHSUFN-UHFFFAOYSA-N 401.492 0.291 30 20 HCED N#C[C@@H](C(=O)COc1cccc(NC(=O)C2CC2)c1)C(=O)N1CCS(=O)(=O)CC1 732909378 ANAQUOTZLRZROW-INIZCTEOSA-N 419.459 0.380 30 20 HCED CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 742179521 QPLYFPCPWPXJCR-CQSZACIVSA-N 417.534 0.438 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1Cl 744114361 PYLAPBLCVJOOCB-UXOAXIEHSA-N 423.834 0.179 30 20 HCED Cc1cc(NC(=O)COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)no1 745497104 RJRFUNRVJBIFDB-JTQLQIEISA-N 406.420 0.982 30 20 HCED CN(C)C1CCN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748747514 UJWIKYFPEQKDRN-UHFFFAOYSA-N 407.540 0.257 30 20 HCED CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C[C@@H](C#N)CCC#N)C2)CC1 749366671 OFXQZUYILUOOGY-OAHLLOKOSA-N 411.528 0.997 30 20 HCED COC[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C1CC1 750300726 JBWUPKOWWVHUDV-ZESIPNTPSA-N 422.507 0.979 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(OC(C)=O)CC2)cc1 753450260 FECANRTWKYUANQ-UHFFFAOYSA-N 423.491 0.986 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 756920974 SAOIGTLTMBOSIK-XQQFMLRXSA-N 403.526 0.782 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 760299752 CBSOXSYHOMCJBS-MRXNPFEDSA-N 418.450 0.658 30 20 HCED Cn1[nH]c(COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nc1=O 765419149 NQWDTHGJUKFPNZ-UHFFFAOYSA-N 407.452 0.451 30 20 HCED CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 768735301 RKSWRJDYLDLXSM-GOSISDBHSA-N 411.480 0.324 30 20 HCED C#C[C@@H](C)N(C)CC(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 769976281 YEACPJDLLMTCIX-OAHLLOKOSA-N 413.478 0.512 30 20 HCED COc1cccc([C@@H](CNC(=O)C(=O)NCCNc2ncccc2C#N)N(C)C)c1 774946589 DDNPPBKPJLNRML-GOSISDBHSA-N 410.478 0.909 30 20 HCED C[C@@H]1CN=C(NN=C2C(=O)N(CC(=O)N(C)C)c3ccc(Br)cc32)N1 779793954 ZBTZNFHIDPPWDY-SECBINFHSA-N 407.272 0.525 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 783455600 XMTJLOYTMUMJAK-UHFFFAOYSA-N 422.445 0.179 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(OCCN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 783473479 AUOHVSPHFYNJRK-MRXNPFEDSA-N 407.492 0.214 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 783480510 RHAHXMMRJSYQJC-SJLPKXTDSA-N 420.487 0.832 30 20 HCED C[C@@H](C#N)CN(C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)C1CC1 785184782 DJXWZLBLSIONQE-ZDUSSCGKSA-N 404.492 0.977 30 20 HCED C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785436846 WWIRAQZPRJGNSC-CQSZACIVSA-N 406.508 0.437 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(C)c2C(F)(F)F)n1 789787010 DFMIHIQKKFJDSW-UHFFFAOYSA-N 412.372 0.882 30 20 HCED CC(C)N1CCN(CCCOC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 791474097 WUEPBTXTOGHCQB-UHFFFAOYSA-N 408.524 0.796 30 20 HCED Cc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(-c2ccnn2C)c1 802712849 VWQFLCHKUFVOKL-UHFFFAOYSA-N 416.463 0.105 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)[C@@H]1CCCO1 803124270 AJAJMCBAPQIKBV-CVEARBPZSA-N 421.519 0.677 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2c(C)nn(CC)c2C)n1 804465068 BNAKDRCLVQNWCK-UHFFFAOYSA-N 400.483 0.641 30 20 HCED CC(=O)c1ccc(N2CCN(c3c(C#N)c(C)nn3C)CC2)c(S(N)(=O)=O)c1 804646455 DMAUMSTXYDBDPD-UHFFFAOYSA-N 402.480 0.777 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)[C@H](C#N)C1 807110423 UBARMILCGAIQSO-BGKJIHHVSA-N 420.470 0.565 30 20 HCED C[C@@H](C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 807742815 GKXRAZOWCVDPHP-GJZGRUSLSA-N 403.487 0.864 30 20 HCED COc1ccc(NC(=S)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1F 807969794 YHTQPGRBGXQCGH-UHFFFAOYSA-N 408.459 0.618 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCOC 916198474 MGCPNWBSYWRDHU-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCn1cc(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C)nn1 994023105 MGGHFYNNPMSCSN-KCYAQADSSA-N 403.483 0.340 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(OC)CCOC2)CCOC1 1296663623 JJTFZUMWZZHRSI-AYOQOUSVSA-N 407.471 0.464 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1301966726 YBTKTAXLNFLJKV-LHSJRXKWSA-N 423.477 0.939 30 20 HCED C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1303636603 MYHKGJPLWUBUJS-OAHLLOKOSA-N 418.523 0.942 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4[nH]c(=O)cnc4c3)C2=O)cc1 1309463287 YTPSYPJRXIJAEL-QGZVFWFLSA-N 423.454 0.874 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](CO)CC1CCOCC1 1320809836 XGPQRJFJZJOOQS-YOEHRIQHSA-N 409.508 0.766 30 20 HCED CN1CCN(c2ccccc2CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1338913178 YKVXPIYVDOSEPB-VXPUYCOJSA-N 412.494 0.764 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccc(N2CCCS2(=O)=O)c1 1523979938 KHOKAWOWBMGUMC-UHFFFAOYSA-N 416.463 0.910 30 20 HCED COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1533023195 SXGNCJZUQQFQGY-UHFFFAOYSA-N 403.464 0.756 30 20 HCED CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](c1ccc(C)cc1)n1cncn1 1631986586 MOHJMBUCDSCRHI-AEFFLSMTSA-N 407.434 0.905 30 20 HCED CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC1 1641033974 LYMSANSHTZKZEF-UHFFFAOYSA-N 409.418 0.676 30 20 HCED COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1697636065 QCCGDBOTFDOZBC-GJZGRUSLSA-N 418.479 0.361 30 20 HCED COC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1697767010 KHGZITXMGDACAF-SJORKVTESA-N 417.514 0.238 30 20 HCED COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1711446839 XZCVAZGHZQWTOH-OAHLLOKOSA-N 418.479 0.365 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)CC1 1729669020 ACQVESAEGAAFCG-NRFANRHFSA-N 410.478 0.931 30 20 HCED CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)[C@H](C)C1 1741045618 PFGMHMHYZHUSAN-CQSZACIVSA-N 416.507 0.918 30 20 HCED CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1741248100 RULJRVGNGLKPJS-MRXNPFEDSA-N 417.514 0.354 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1771537271 LHDDTTOJTFFHQI-HOTGVXAUSA-N 417.491 0.985 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)C1 1778237755 ZXFKUKFBYKURBL-YWZLYKJASA-N 406.483 0.987 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nsnc3NC)CCO2)C1 1778963734 APSLSJKRISSLRS-KPZWWZAWSA-N 409.512 0.596 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1778968023 OUKJXOKNEBORTJ-YCRPNKLZSA-N 418.494 0.403 30 20 HCED Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)cnn1C 1779101961 VQKJRILXEWISBU-QRIYWZMZSA-N 419.482 0.701 30 20 HCED CN1N=C(C(=O)N2CCO[C@@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)CCC1=O 1779135016 SKZDEZZPWXXKGD-YUSOBQLHSA-N 415.450 0.137 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1779395857 HSSQNVLTPBFZGV-FQEVSTJZSA-N 404.467 0.979 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@@]2(CCN(C(=O)c3cc[n+]([O-])cc3)C2)C1 1779885257 LJPNRXKAROSCFY-XNWDXEOPSA-N 418.450 0.293 30 20 HCED CC(=O)Nc1cccc(C(=O)N2CCO[C@]3(CCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)n1 1780332434 YKGTVNOQFDEYQD-NRFANRHFSA-N 422.445 0.997 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)ON=C(C)C)C1 1780807414 LIWXLJACZGLZMY-MXHNKVEKSA-N 410.515 0.826 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1781097401 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CCN(CCNS(=O)(=O)c1ccc(C#N)nc1)S(=O)(=O)c1ccc(C#N)nc1 444098864 BORBRFYALYNNFD-UHFFFAOYSA-N 420.476 0.209 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)ccc21 448409195 CZXNVQGFFNXFOE-AEFFLSMTSA-N 414.462 0.864 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC2(N3CCCC3)CCOCC2)cn1 460581237 XQHCJRFXLSLDDP-UHFFFAOYSA-N 423.477 0.839 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1CCN(CC2CC2)CC1 460620135 RNTNYPNFHDBVGK-UHFFFAOYSA-N 407.478 1.377 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(COC)cc2)c1=O 461380889 UEBOBEUNVDSRAM-UHFFFAOYSA-N 401.488 0.342 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)CC1(C#N)CCCCC1 475525162 CINJENFICADGPB-AWEZNQCLSA-N 405.542 0.415 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)C[C@@H](O)CN1CCOCC1 478370362 NBSXLGVNMYZREE-QGZVFWFLSA-N 400.483 0.302 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 480156720 YNLDEXCFCORYRM-AWEZNQCLSA-N 414.443 0.153 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 484619678 MKTBVVTVGBPGJU-UHFFFAOYSA-N 411.480 0.307 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(S(N)(=O)=O)cn2)CC1 490090585 OXWYQFKEQIUGTD-UHFFFAOYSA-N 407.477 0.112 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504497415 UGLFXSZQTWVONB-AWEZNQCLSA-N 403.487 0.103 30 20 HCED Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)C(=O)NCC(=O)NCC#N 508975018 ASAIUQDFUWNHPY-KBPBESRZSA-N 413.478 0.808 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1F 511770643 HGDKSUVHRNXITK-GFCCVEGCSA-N 408.455 0.956 30 20 HCED N#C[C@H](c1ccc(Br)cc1)N1CCN(CC(=O)N2CCNC(=O)C2)CC1 512432088 CTIZWBZVFYQBOA-MRXNPFEDSA-N 420.311 0.590 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)CC1 539481837 YMVRKLMSAJVLFL-UHFFFAOYSA-N 424.505 0.874 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCO1 541968166 UBIOUNBQUTUSDZ-INIZCTEOSA-N 409.402 0.657 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](O)COc1ccccc1 545893241 IYQFYLQLTDSPDL-INIZCTEOSA-N 420.429 0.942 30 20 HCED CCC(=O)Nc1cccc(CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 550457111 MROAFVXMXXLEFP-UHFFFAOYSA-N 411.466 0.919 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccccc2OC(F)F)CC1 550844605 LLZSATBOCNNTBS-UHFFFAOYSA-N 424.448 0.393 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 556386492 HVUPMFPNLGCZCB-UHFFFAOYSA-N 410.434 0.661 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Nc2cc(C)n(CCC#N)n2)CC1 558235153 HVSSKSFVKLNPAP-MRXNPFEDSA-N 405.503 0.796 30 20 HCED C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561785494 RVJDLPGUCUPNFB-JLTOFOAXSA-N 401.442 0.506 30 20 HCED COc1ccc(C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C 567242704 OKPGZNVUYBPEFG-UKRRQHHQSA-N 422.507 0.922 30 20 HCED CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568333583 DXCCFXCQLUIEIO-GOSISDBHSA-N 421.567 0.711 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCS(=O)(=O)c2ccccc2)cc1 569747062 NNOIFWMWRLNQKI-UHFFFAOYSA-N 407.473 0.427 30 20 HCED C=CCN(CCc1ccccc1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 574177318 NUDBMFBVZZCYCK-UHFFFAOYSA-N 422.533 0.972 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCO[C@H]3CCOC3)C2=O)cc1 581688943 VZSVBLBKYXWOIX-ZWKOTPCHSA-N 414.462 0.087 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NC[C@H]2CCN(C3CC3)C2)CC1 585726553 KWABOPYZKAUTKG-CQSZACIVSA-N 412.494 0.673 30 20 HCED Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585728290 WHDGKFZZTCSREO-HNNXBMFYSA-N 423.477 1.000 30 20 HCED C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 588700881 ZIGCXQOBWRUUGK-RISCZKNCSA-N 422.367 1.315 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 590054769 WCUWTMYGHXTDIL-YOEHRIQHSA-N 403.439 0.736 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)c1 603993004 CZRMFHSXRDTXFA-UHFFFAOYSA-N 413.499 0.597 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC#Cc3ccccc3)CC2)cn1 607369978 KUEMJBSKVYLNIY-UHFFFAOYSA-N 401.492 0.924 30 20 HCED CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1=O 610679815 JESRYLMVVYHJDQ-ZMZPIMSZSA-N 403.826 0.987 30 20 HCED COc1ccccc1NC(=O)CN1CCN(C(=O)NC2CCN(CC#N)CC2)CC1 611000230 LKXCMZZIQSQTLT-UHFFFAOYSA-N 414.510 0.949 30 20 HCED Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C)n1[C@@H]1CCS(=O)(=O)C1 648025479 GPXOTGNWFUYKJV-CQSZACIVSA-N 404.448 0.080 30 20 HCED C=C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 677273959 AWVUDAVWSLZSPE-ZDUSSCGKSA-N 410.496 0.403 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725957145 VOMYEUTXROYGJY-YRNRMSPPSA-N 405.426 0.999 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)Cc2ccc(Cl)s2)C1=O 726043412 WAOXAYDZKLZMFV-UHFFFAOYSA-N 413.839 0.880 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1=O 726043934 WGHUBIOOGFPORK-UHFFFAOYSA-N 424.753 0.707 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC(=O)NCCOC)cn1 726112665 ZCCYHXLUPHAGKC-AWEZNQCLSA-N 422.511 0.266 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 726296800 HXGOSUNPHYNKDE-UHFFFAOYSA-N 402.418 0.821 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 728570941 PPXUKWJYCAVLJA-UHFFFAOYSA-N 412.469 0.625 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 730069739 IBOUTMWUTKGVHZ-UHFFFAOYSA-N 424.523 0.964 30 20 HCED CNC(=O)CNC(=S)NN=Cc1c(N2CCCCC2)nc2ccccn2c1=O 731928450 CLJHSZAZNFQASK-UHFFFAOYSA-N 401.496 0.229 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C[C@H]2CCOC2)CC1 736232374 QLSZIRQBANQLPB-CQSZACIVSA-N 406.508 0.342 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)c1 741145708 GGYLOOCDVMFYMI-UHFFFAOYSA-N 404.448 0.289 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2SC(=N)NC2=O)c1 742552171 OLBZFNMHSAPHQW-IDJNSLICSA-N 409.493 0.994 30 20 HCED C[C@H](CC(=O)N1CCCC[C@@H]1CNC(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 742616170 MEQZSKUQBKWUHK-CHWSQXEVSA-N 407.496 0.553 30 20 HCED N#CC1(NC(=O)C(F)(F)C(F)(F)C(=O)NC2(C#N)CCOCC2)CCOCC1 742679705 DGWRHHUDPMMUDW-UHFFFAOYSA-N 406.336 0.635 30 20 HCED C#CCN(CC#CC)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 744410280 ZAPNYYCQMFASKJ-UHFFFAOYSA-N 403.504 0.282 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cn1 746354972 PGSUEIFSJWIRRX-UHFFFAOYSA-N 402.361 0.608 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 750182674 QSJHXMPRXXIDBY-ZDUSSCGKSA-N 403.391 0.575 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)CC1 751110791 GNZVONQERAQVCC-UHFFFAOYSA-N 419.570 0.784 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(O)CC2)c1 760118530 KIADAZDJZBWDAY-PGMHBOJBSA-N 422.507 0.811 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)ccc1F 760794042 KWPFEZHAKCHGAT-LBPRGKRZSA-N 404.485 0.939 30 20 HCED C#CCNC(=O)c1cccc(-c2noc(-c3ccc4c(=O)n(C)c(=O)n(C)c4n3)n2)c1 761803404 NVEUUXHWLQRGEN-UHFFFAOYSA-N 416.397 0.712 30 20 HCED C#CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765676940 CMANLWMBFDGOEY-UHFFFAOYSA-N 409.483 0.968 30 20 HCED Cn1cnc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 768415446 BMZBTXQORMAFEB-AYAKEVCGSA-N 413.507 0.922 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(c3ccccc3OCCOC)CC2)CC1 768552917 VZWBDEGYRNPOJJ-UHFFFAOYSA-N 400.523 0.611 30 20 HCED C=CCN(CC=C)C(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O 768750446 PYKBWCSSSSKXSQ-IBGZPJMESA-N 421.450 0.951 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)CC1(C#N)CCC1)/N=C1/NS(=O)(=O)c2ccccc21 771077540 JHDTWRPPSHRIFE-GFCCVEGCSA-N 424.504 0.644 30 20 HCED Cn1c(=O)nc(O)c2cc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)cnc21 781602819 KYBCZEVZCHEWDK-UHFFFAOYSA-N 403.351 0.164 30 20 HCED C#CCN(C(=O)C(=O)NCC(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 782562668 RJLSBQNZYPXKIU-CQSZACIVSA-N 422.279 0.939 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 783350940 SFNBJVGECSJHEI-UHFFFAOYSA-N 422.442 0.334 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 783473533 CQPMRCVXGUZBRH-LLVKDONJSA-N 400.359 0.596 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 783544844 FTGAYJXENVEVOP-UHFFFAOYSA-N 408.523 0.100 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)c1 786443217 UNLYPTDMPWRYNP-GNFOSXPUSA-N 421.454 0.902 30 20 HCED Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCCNc3ncccc3C#N)C2=O)cc1 787787883 QFUKKEAOUKUDFP-SFHVURJKSA-N 420.473 0.707 30 20 HCED Cc1nn(C)c(N2CCN(CN3C[C@H](NC(=O)OC(C)(C)C)CC3=O)CC2)c1C#N 788044911 RSUFMSMFUGTLAA-OAHLLOKOSA-N 417.514 0.805 30 20 HCED CCOC(Cn1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1)OCC 788535392 CMABQBWBXXPJNL-UHFFFAOYSA-N 416.486 0.553 30 20 HCED C#CCn1cc(CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cn1 791264678 PURYTKDUUBXURG-UHFFFAOYSA-N 406.424 0.190 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(CS(=O)(=O)N[C@H](C)CC)c1 799286055 CNOWHEZRMFLXIH-RHSMWYFYSA-N 409.508 0.734 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 800659363 UGDXNKFMHMYDHC-GXTWGEPZSA-N 411.455 0.610 30 20 HCED Cn1c(S)nnc1[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 810354966 NMRAMKPGNMAZAS-ZDUSSCGKSA-N 420.520 0.660 30 20 HCED COc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn(C)c2)c1=O 837286229 XMGGVSHHSHEKLX-UHFFFAOYSA-N 421.482 0.423 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)CN(C)C1=O 1000641211 JCCNILKZJUQFAU-OWYFMNJBSA-N 404.467 0.110 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1 1054799068 LIRVFPWHCBYYRF-DDVYYSQMSA-N 414.487 0.191 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1303367390 RBUFNAQZATVEMH-LJQANCHMSA-N 407.494 0.705 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCOC1 1303836392 LAYSCBWMEGPQMG-WOSRLPQWSA-N 400.480 0.757 30 20 HCED Cn1nccc1[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 1306844005 YXGPKOYIJXFGQK-RHSMWYFYSA-N 403.464 0.607 30 20 HCED COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1450216528 SEWFPCSZKABRES-CXAGYDPISA-N 416.459 0.521 30 20 HCED Cc1cccnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1492606272 ZOJQSCJQJTZZLM-LSDHHAIUSA-N 402.480 0.661 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1510296126 XDZIFNQWXOKFDG-KDOFPFPSSA-N 409.512 0.462 30 20 HCED CN(C)C(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1516973884 WSXPPLHYESWJJM-QGZVFWFLSA-N 406.450 0.948 30 20 HCED CN(CC(=O)N1CC(=O)Nc2ccc(C#N)cc21)C1=NS(=O)(=O)c2ccccc21 1535152258 SAOMOTNQUOVLBC-UHFFFAOYSA-N 409.427 0.924 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCNC(=O)c1ccco1 1543318068 OKPSXZSPUDXXAF-CQSZACIVSA-N 421.465 0.986 30 20 HCED CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547310366 ULOGUTXTOAGHEP-HNNXBMFYSA-N 402.503 0.071 30 20 HCED Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1612600042 ZOLWRBFZTLAMLU-IBGZPJMESA-N 416.507 0.334 30 20 HCED C[C@H](CC(=O)N1CCN(c2ncc[nH]2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1626516525 PDZJRPKMTQUOQK-CYBMUJFWSA-N 402.480 0.576 30 20 HCED CN(CC(=O)N1CC[C@](O)(CC#N)C1)S(=O)(=O)c1ccc(Br)cc1 1639943323 NDUKYOIYKJRXLH-OAHLLOKOSA-N 416.297 0.947 30 20 HCED N#Cc1ccc(-c2cc(N3CCN(C(=O)N4CCS(=O)(=O)CC4)CC3)n[nH]2)cc1 1664303351 KECQRADYNGVWTO-UHFFFAOYSA-N 414.491 0.921 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(O)CCSC1 1706622623 UEJZAJZWQJDKED-DNVCBOLYSA-N 419.555 0.461 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC(=O)NCC(F)F)c1 1712878630 IGDKMHBDJZJSPN-UHFFFAOYSA-N 408.434 0.767 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC12CCOCC2 1741943703 HTIMXCCTVUSLIF-RRFJBIMHSA-N 424.527 0.434 30 20 HCED CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1746494664 IUODDIDKYOCUTM-ORAYPTAESA-N 403.462 0.978 30 20 HCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1764675065 MXVXTZUAJKQDIG-SUMWQHHRSA-N 411.532 0.497 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCC(=O)N3CCCC3)CCO2)C1 1778966887 ABWAUQBMSFGURW-VGOFRKELSA-N 421.538 0.792 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779551011 CWTFNBQCMJHALG-MFBSEBAMSA-N 421.450 0.744 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnn4n3)C2)C1 1779959795 QRBBZJNHDDJPTB-QEVIJRNUSA-N 424.461 0.031 30 20 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CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)nn1 1838832034 CEPDFRMKBBJJKH-UGSOOPFHSA-N 410.496 0.264 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@]1(C)C[C@H]1C)CCO2 1839091851 QMXLAKOWLQZLHC-HBGVWJBISA-N 408.495 0.998 30 20 HCED CC(C)[C@@H](O)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839419884 ZNZUQLOQHDKMPP-WIYYLYMNSA-N 419.453 0.784 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C(F)F)C4)C3)c2c1 1839487826 HUSNFDKBMWOMHN-IBGZPJMESA-N 419.388 0.770 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1Cc3ccccc3N1)CCO2 1839736726 GPMKSTBDKPWDAL-VHFSOBRXSA-N 405.520 0.798 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@@]4(COCCN(C(=O)CCC#N)C4)C3)(C1)C2 1840004999 AOZPPOVAVAUOPM-SOAGJPPSSA-N 405.451 0.090 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ncccc4n3)C2)C1 1840160894 XDZHNRIUXDCKNX-ACJLOTCBSA-N 405.480 0.118 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840463620 RXLFZZGLGTXQSR-MJGOQNOKSA-N 410.540 0.373 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C(N)=O)cc1)CCO2 1840648448 LFLPUMKWUAOCIS-QFIPXVFZSA-N 413.474 0.659 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC2(CCCN2C(=O)c2cnc(O)nc2O)C1 1843352447 HXYXVSACIVMVIS-UHFFFAOYSA-N 400.435 0.403 30 20 HCED C[C@](C#N)(NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(N)=O)C1CC1 5263964 JBRDDAHEPLEQKX-LJQANCHMSA-N 420.491 0.757 30 20 HCED CC(C)NC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15037125 ACXMIGQNEKIVDG-AWEZNQCLSA-N 407.496 0.487 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)CC2)c1 31168867 PRKWZULFSSWEOS-FQEVSTJZSA-N 416.551 0.993 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCC(n3cc(Br)cn3)CC2)CCO1 410124069 RBXRTBSRVQTJSC-ZDUSSCGKSA-N 404.290 0.752 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 410131763 SNOOVLPQNIPEIC-CQSZACIVSA-N 408.528 0.599 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1c1cnn(CC)c1 410424753 UIZBIKMFZMUBBS-UKRRQHHQSA-N 403.530 0.401 30 20 HCED N#Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1Cl 429769426 IMYRBQLQLBUJOZ-UHFFFAOYSA-N 408.871 0.880 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 431306191 OXYYTBGDMOOOKL-UHFFFAOYSA-N 423.463 0.509 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 435004069 PVLJKXWQXMHBAW-LBPRGKRZSA-N 403.443 0.512 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 446874779 XJXTWLZODCKRDT-UHFFFAOYSA-N 408.480 0.717 30 20 HCED Cc1c(Br)cc(C#N)c(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1 461427025 KKEAHGMRXYLBGK-UHFFFAOYSA-N 407.268 0.872 30 20 HCED CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 471186744 JHAFAWSDRUQVSF-UHFFFAOYSA-N 409.468 0.663 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 471318006 RMZYHOTZVNJXBI-LLVKDONJSA-N 411.498 0.593 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCN3CCS(=O)(=O)CC3)C2)n1 471865887 NMPSCBFWVGVMPR-KRWDZBQOSA-N 405.524 0.325 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480308903 ZQZIFWHCBPXVRN-OAHLLOKOSA-N 421.523 0.831 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](CO)[C@@H]3CCOC3)CC2)cc1 482686562 WGOIHQRAXULZON-MSOLQXFVSA-N 421.519 0.720 30 20 HCED N#Cc1c(N)n[nH]c1CCCNC(=O)C(=O)N=c1ccn(-c2ccccc2Cl)[nH]1 490269367 IQZVFQDMMVFNDX-UHFFFAOYSA-N 412.841 0.812 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 501000039 JJSVOZCWWWCVHJ-PYTWLRIVSA-N 403.435 0.924 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H](C)C1 502009040 OGYSHEZYMHWRGB-BZSNNMDCSA-N 405.568 0.844 30 20 HCED Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C(=O)NCCn1cnc(C#N)n1 508337997 FFWSMPWMQBURHI-UHFFFAOYSA-N 414.376 0.736 30 20 HCED Cc1cc(COCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)on1 509031350 RQPZSBIMDKHWHZ-UHFFFAOYSA-N 404.448 0.904 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)c1C#N 513586125 LPPWOCQEEQJJBN-DJIMGWMZSA-N 414.510 0.569 30 20 HCED CC(C)CN1CCC[C@@H](CNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 519729227 SEZBCXYUFVVOHE-HNNXBMFYSA-N 403.531 0.739 30 20 HCED CN1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 522773036 KPXWSLWEBFMNDU-ZDUSSCGKSA-N 400.357 0.885 30 20 HCED CN(CC(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)S(=O)(=O)c1ccc(C#N)cc1 524867838 WGGBIMBZHMMNFX-ZBFHGGJFSA-N 413.521 0.651 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 527338317 FCJRBQVFHCBBDF-UHFFFAOYSA-N 400.439 0.918 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(-n3cccn3)c2)c1=O 531598444 COIUXYINHXKREX-UHFFFAOYSA-N 423.498 0.381 30 20 HCED C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 531681727 CWVFZUXGCBOIFU-UKRRQHHQSA-N 411.505 0.427 30 20 HCED CCOC(=O)Cn1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1=O 533620292 IRDZCSWCNBJROJ-UHFFFAOYSA-N 405.455 0.491 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2-c2ccccc2C)CC1 534933000 IEGQKGSSZZDXQS-UHFFFAOYSA-N 410.478 0.566 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 538166421 XJNZNJRIZMLSRW-OAHLLOKOSA-N 415.494 0.380 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 538556230 IIZXLNJJKSUYKX-UHFFFAOYSA-N 406.917 0.720 30 20 HCED COC(=O)[C@@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539450546 OPRXHPJGNFZOFP-ROUUACIJSA-N 404.442 0.408 30 20 HCED COCCOc1ccccc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697657 WPJMBFPREZUGAK-UHFFFAOYSA-N 407.452 0.944 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)c1 552011967 VMXDZLNMBDXKLH-INIZCTEOSA-N 418.519 0.935 30 20 HCED N#CCNC(=O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 553310261 IWIDEUOPSCKCOI-LBPRGKRZSA-N 412.233 0.954 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 555998482 SXOOTWUMPCRDRA-APWZRJJASA-N 403.479 0.867 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ncccc3F)C2)cc1 558546692 CUYSWJHFLVBHNQ-AWEZNQCLSA-N 403.439 0.766 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1-n1cnnn1 559986850 PCFKHTHMJARQBG-INIZCTEOSA-N 418.417 0.856 30 20 HCED N#CC1CCN(C(=O)C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CC1 561276238 SWCLJEPDZZTPNM-IBGZPJMESA-N 411.506 0.762 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 568739844 BKPLCDXDWOOGHZ-CQSZACIVSA-N 404.433 0.813 30 20 HCED C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C(=O)N1c1ccccc1 575827788 WALZWLXEWCBITF-CXAGYDPISA-N 423.477 0.565 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)N1CCOCC1 578287165 YZUQQTUZQWYRJP-QGZVFWFLSA-N 411.466 0.550 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 588884609 NZVIJCMJZDGNLQ-ZBFHGGJFSA-N 404.442 0.656 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC2CCN(CC#N)CC2)cc1 609338009 VMSJOMLURGJALP-UHFFFAOYSA-N 407.496 0.418 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)c1=O 613979351 DEIQCTCAAAPWJA-HZPDHXFCSA-N 406.483 0.255 30 20 HCED N#Cc1cc(O)cc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 614363194 LMWAMVCBCAUPNH-UHFFFAOYSA-N 400.416 0.637 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(-c3ccc(OC)cc3)no2)C1=O 726042165 FGRQVKPUBWOHMF-UHFFFAOYSA-N 400.347 0.765 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 728536183 NIGUEUSOBLWUNK-UHFFFAOYSA-N 402.407 0.279 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CCS(C)(=O)=O 729673189 HDKLFLDJDHKOFD-UHFFFAOYSA-N 422.503 0.822 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2nnc(S)n2C2CC2)c1 731444028 ZFOGCTRDUIQQOU-UHFFFAOYSA-N 405.505 0.786 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCN(c3cnn(C)c3)C2=O)c1 732320971 SATWXAJYABEGJP-INIZCTEOSA-N 402.432 0.294 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(Cc3ccsc3)CC2)c1=O 732556488 MNYMBFXHOFQCMR-UHFFFAOYSA-N 403.508 0.381 30 20 HCED N#Cc1c[nH]ccc1=NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 735439272 QVTFPIKSMKFPAH-AWEZNQCLSA-N 412.427 0.951 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1 737148865 HGOVUHVQZQJYAL-UHFFFAOYSA-N 416.463 0.169 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)N1C[C@H]2CCCN2c2ccccc21 737307796 UQPOBYJCEGPFSL-IWHJNQCMSA-N 409.446 0.645 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 742065359 ATEMBEFVUOVTJK-KRWDZBQOSA-N 422.526 0.296 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 743905991 PAKCKFQTSHUYKR-UHFFFAOYSA-N 418.469 0.835 30 20 HCED CS(=O)(=O)CCOCCNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 743927981 KFKVUHGWEYVSAZ-UHFFFAOYSA-N 415.471 0.597 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC 744589472 QALCQJCEQLUQIW-QKKBWIMNSA-N 415.446 0.846 30 20 HCED Cn1ccc(N2CCC[C@@H](OC(=O)CNS(=O)(=O)c3ccccc3C#N)C2=O)n1 744617993 QWKYNSDHFGZVDL-CQSZACIVSA-N 417.447 0.309 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCNCC1 746285777 WRRSXBMHJKJMQV-QGZVFWFLSA-N 421.567 0.695 30 20 HCED N#CCOc1ccc(CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1 746792891 BRAILPIMWLSYNA-UHFFFAOYSA-N 421.413 0.896 30 20 HCED C#CCNC(=O)C1CCN(c2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])CC1 747809151 WPBKMRLWEUDOQN-ZDUSSCGKSA-N 416.434 0.852 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CSCC(=O)N2CCOCC2)[C@H](C#N)C1 749524750 DYBBDHUBTZWTKW-CQSZACIVSA-N 412.512 0.550 30 20 HCED N#Cc1cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)ccc1F 758695379 RZPGPFLOGBTHHX-OAHLLOKOSA-N 401.485 0.332 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 761036500 HBMGCFXISOFNPL-QUCCMNQESA-N 407.536 0.527 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN(C)S(=O)(=O)c1ccccc1 766980233 PNGUTOYGGDICIJ-UHFFFAOYSA-N 423.472 0.692 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCCOCC)n(CC)c2=O)cn1 772276490 NIRQMBNNIMRMGU-UHFFFAOYSA-N 401.492 0.273 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H]3COC4(CCCC4)O3)n2)cc1 774494261 BJSNFIYDIOUKKZ-INIZCTEOSA-N 410.434 0.938 30 20 HCED COC[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 774746006 BKTHUAAPPMEBDD-INIZCTEOSA-N 410.448 0.690 30 20 HCED N#Cc1ccc([C@H](O)C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 780914797 LEMPXPQPUDDMQZ-INIZCTEOSA-N 404.404 0.595 30 20 HCED CN(CC(=O)OCc1cc(O)n2ncc(C#N)c2n1)S(=O)(=O)c1ccccc1 782750897 RUANEEUBZFDHMA-UHFFFAOYSA-N 401.404 0.670 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(CO)CCC2)cc1 785232315 JYAABGWYOUOGRN-CJLVFECKSA-N 422.507 0.717 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1 785279010 BTECWRXHPYZZRJ-MWDXBVQZSA-N 414.414 0.589 30 20 HCED C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccs2)CC1 802699103 AGMFYURLNMTRJF-AWEZNQCLSA-N 408.553 0.753 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCCO1 803399291 MNYPRRQHULJFCB-IPMKNSEASA-N 403.454 0.612 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1)[C@H]1CCCO1 809304231 GLHZVBHNASDFIV-GVDBMIGSSA-N 404.536 0.450 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1C#N 809501752 RMTMRGDWJIIMBG-YJBOKZPZSA-N 411.462 0.889 30 20 HCED COc1ccc(CNC(=O)C(=O)N(C)CC(C)(C)CN2CCOCC2)cc1C#N 809502702 MNNXKBCMVOHUKQ-UHFFFAOYSA-N 402.495 1.000 30 20 HCED C#C[C@@H](CC)Oc1ccc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 816047773 OMKXOOJTRQLKOG-HNNXBMFYSA-N 410.430 0.968 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCOC 916664978 CYSHQLBWFIBSJY-UHFFFAOYSA-N 411.405 0.824 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 916893438 BVHAYCSKCGOWEG-CQSZACIVSA-N 424.417 0.180 30 20 HCED C[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(N)=O)C1 919318342 GYQNDCALYSJPQK-CJNGLKHVSA-N 421.475 0.129 30 20 HCED C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1303645744 PWMCODQEZZOUII-HIFRSBDPSA-N 416.507 0.952 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)ccc1OC 1311965192 XPXPBZMPYIWBNA-CKEIUWERSA-N 411.480 0.987 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n(C)n1 1319206293 FWGUIDJGANOQJM-NVXWUHKLSA-N 406.446 0.875 30 20 HCED C[C@@H](CC(=O)N1CCc2c(O)ncnc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1325236549 RWXXSTZNVMJVBE-NSHDSACASA-N 401.448 0.584 30 20 HCED N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 1466865233 LSIMZAZYIFSZKA-QGZVFWFLSA-N 414.491 0.783 30 20 HCED 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QVOUQOAUTWYWOP-RTLBZRNLSA-N 406.508 0.799 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(NC(C)=O)n1)CCO2 1833338959 FKNGTSROXOTTNA-NRFANRHFSA-N 414.462 0.523 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)CN3CCOCC3)CC2)CC1 1833426421 RVMDWKHFYOQJTE-UHFFFAOYSA-N 402.539 0.304 30 20 HCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)c1F 1833708540 DBXOZSOGHBQHTA-PXAZEXFGSA-N 400.476 0.256 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C)nn3C)CCO2)C1 1834161959 RMUJWJGGTARMSX-UTKZUKDTSA-N 420.510 0.372 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ncccn2)CCO3)cc1 1834297213 VLHOLUMQMRGSGH-JOCHJYFZSA-N 421.457 0.926 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)C[C@@H](NC)C(=O)O)CC2)CC1 1834740436 KXEGRVCJXPIFQQ-MAUKXSAKSA-N 424.542 0.212 30 20 HCED COC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1834847975 CXDAOGRIRPJZLH-FUHWJXTLSA-N 402.513 0.350 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835128891 QRTJEFXEOVGBCB-SIKLNZKXSA-N 421.538 0.357 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)CS(C)(=O)=O)CCO2)C1 1835254924 TZRQNLLRGYFFFN-LPHOPBHVSA-N 414.524 0.256 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1835849931 PAMFWEWQHWMOEZ-IBGZPJMESA-N 408.455 0.168 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4[nH]nc5ccncc45)CCO3)C2)CCC1 1836450688 BNWQNCWZQZUYFW-OAQYLSRUSA-N 424.461 0.722 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1837311682 KRGBVRQJTYNBFX-RXVVDRJESA-N 417.510 0.893 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837564456 PWNLDNOKSBCKTJ-JFOGYLRVSA-N 415.450 0.500 30 20 HCED Cn1nc(C(F)(F)F)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1838077828 VSDFJQUWHONSEI-MRXNPFEDSA-N 415.372 0.423 30 20 HCED Cc1ncncc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1838088371 IJXGBSQNRXGGBA-APWZRJJASA-N 408.524 0.809 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cncnc1C)CCO2)C(F)(F)F 1838097763 CEYSXQAQXYSXQW-QGZVFWFLSA-N 414.384 0.974 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(C#N)cc4)CCO3)C2)n1 1838950146 FLNVMTFHNYGVHD-NRFANRHFSA-N 409.446 0.676 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1839174274 QJODAGXJNPQULS-NRFANRHFSA-N 417.462 0.661 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn3cccc(F)c13)CCO2 1839619076 RCXMBCDGUFVPDK-FQEVSTJZSA-N 415.425 0.847 30 20 HCED Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1F 1840040493 NFISHDNAUMTAPL-FQEVSTJZSA-N 404.394 0.292 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c1 1840325679 NBKOUNRJKCAHKT-HXUWFJFHSA-N 412.450 0.312 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1 1840400647 BDDJKBYICOWEKR-UZLBHIALSA-N 403.483 0.759 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)n3cc(C)cn3)CCO2)C1 1840403251 ZHTMIRZEJPGMAH-UEXGIBASSA-N 420.510 0.800 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415558 HOEXLYKIAPSUGW-PXNSSMCTSA-N 421.498 0.278 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)s1 1840812968 VVXSIRRPFADUFR-LJQANCHMSA-N 419.507 0.539 30 20 HCED CC#CC[C@@H](C(=O)N1CC2(CCCN2C(=O)CN2CC(=O)NC2=O)C1)c1ccccc1 1841891733 DULUPMPBRZWRTK-GOSISDBHSA-N 422.485 0.939 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1847070639 VYZQNAOHZZTNHE-KBPBESRZSA-N 420.466 0.215 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC[C@@H](C(=O)OC)C1 1847258933 JXYZQTGMARFCJZ-PPLLAWBQSA-N 403.479 0.636 30 20 HCED CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C#CC(=O)O)C1 1848096714 BFSDWSOZWKIXBH-UGUYLWEFSA-N 417.462 0.746 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N2CCOCC2)cn1 25622327 FPLZAPNBSHCSIG-LBPRGKRZSA-N 414.509 0.595 30 20 HCED CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1=O 110526877 KUCXQXRZZOAUJB-FQEVSTJZSA-N 424.417 0.946 30 20 HCED N/C(=N/CCNS(=O)(=O)c1cccc(Cl)c1)NCCCN1CCOCC1 303782224 MYHJAHKBBGLQFR-UHFFFAOYSA-N 403.936 0.245 30 20 HCED CCOC(=O)N1CCC(N/C(N)=N/CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 304934940 HNDUNISOOHXFOJ-SDADXPQNSA-N 403.483 0.319 30 20 HCED COc1cc(CN2CC[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)C2)cc(OC)c1 409483345 ICRHHZDCYOTEBE-YJBOKZPZSA-N 410.496 0.337 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CC(C)CC(=O)N(C)[C@@H]2CCN(CC=C)C2=O)C1=O 410140119 GVDVYKDHSAHGGL-QZTJIDSGSA-N 418.538 0.893 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)ccc1C 438756609 NYPBZPQOQJKCKZ-UHFFFAOYSA-N 409.512 0.536 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCC(=O)OCC)cc2)C1=O 440251929 CYFPNUZZPNVAFH-MRXNPFEDSA-N 403.435 0.812 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nnn(CC(F)(F)F)n3)CC2)cc1 440713304 RMVDDDKSVVCWPH-UHFFFAOYSA-N 415.401 0.614 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCOC3)c2=O)nc1 441960688 UADSWZLVPKTXOG-MRXNPFEDSA-N 424.526 0.775 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCC4=O)c3)CC2)nc1 448234698 QLZKPKODAMFWCN-UHFFFAOYSA-N 404.430 0.977 30 20 HCED COCCOc1ncccc1CNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460572572 JOSMINQWFJQMAD-UHFFFAOYSA-N 421.417 0.814 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460778451 MEEQWLCWBLMFEZ-KRWDZBQOSA-N 415.542 0.833 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCC(S(C)(=O)=O)CC1 465282321 CSYZKFBOARXPFN-WLYUNCDWSA-N 406.512 0.924 30 20 HCED CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@H](C)c1ccc(C#N)cc1 467294742 CQNFAPRXOAESQE-GFCCVEGCSA-N 403.464 0.873 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2-c2cccc(F)c2)CC1 473370694 GVZGLPOCJFOESV-UHFFFAOYSA-N 414.441 0.396 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C(N)=O)o3)CC2)cc1 474466749 APDDPSUOVKNIHB-UHFFFAOYSA-N 416.459 0.967 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(OC)s2)c1=O 477451081 BALWMGANKAXXIW-UHFFFAOYSA-N 407.517 0.656 30 20 HCED COCCOc1ncccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481147464 ZHKPJJUTDVRNNQ-AWEZNQCLSA-N 418.475 0.962 30 20 HCED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C[C@@]12C(=O)Nc1ccccc12 489061380 HXJGMSKMNJHVRT-HFUXXMRGSA-N 404.426 0.810 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)C2)nc1 490061791 KUYZMLDWZZHKML-CYBMUJFWSA-N 408.461 0.443 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](O)COC)nnc12 498587936 JUSACLWAUNXZAK-ZDUSSCGKSA-N 417.491 0.836 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 511139505 CPYKWGPFUBPWBJ-UHFFFAOYSA-N 411.483 0.296 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N(CCC#N)CCN2CCOCC2)cc1[N+](=O)[O-] 513567629 NEVBJSBGVOASTQ-UHFFFAOYSA-N 410.452 0.686 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 515549202 MFLKMXPNSUSRNQ-JFIYKMOQSA-N 415.560 0.012 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)C1=O 522170385 MBYUKBVVLTWWTP-CQSZACIVSA-N 419.507 0.130 30 20 HCED N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CC(N)=O 526038207 HJULESWNDDNKMY-ZDUSSCGKSA-N 415.446 0.033 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 532012002 YPFJCSFDWGUAPF-UHFFFAOYSA-N 407.854 0.916 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)S(C)(=O)=O 532812305 SWSNNCQXRUOICP-SECBINFHSA-N 407.370 0.987 30 20 HCED C=CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 532961458 MQCUKKWLJQFFQY-ZDUSSCGKSA-N 424.465 0.074 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 532987534 AUXPXMBUEWFNRE-UHFFFAOYSA-N 405.411 0.810 30 20 HCED N#CCCN(CCC#N)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 535547327 FOHBLWJTFXRMBT-IBGZPJMESA-N 411.462 0.627 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1 537152989 DPWXBEYJFLXADL-AWEZNQCLSA-N 408.398 0.607 30 20 HCED C=CCNC(=O)CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 539721833 ZHQLDTZRFLTLQK-UHFFFAOYSA-N 409.512 0.437 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCSC[C@H]2C#N)cc1 540469950 VICXVSQCYXIGEB-OAHLLOKOSA-N 424.548 0.914 30 20 HCED CCOC(=O)c1c(NC(=O)Cn2nc3ccccn3c2=O)c(C#N)cn1CCOC 540737363 PDNFIHKHAYUAIM-UHFFFAOYSA-N 412.406 0.631 30 20 HCED COCCOc1ncccc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546910837 JMLALUJSMNMFPC-UHFFFAOYSA-N 410.434 0.661 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C(N)=O)[C@H](C)c1ccccc1 552736132 LCODQNDJVLMRNF-QWQRMKEZSA-N 414.487 0.999 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCCN(C)S(=O)(=O)CC 556270170 XAMRHOGBWDTWBT-UHFFFAOYSA-N 406.508 0.861 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 557299262 UPTCGRCFYHQCFH-MRXNPFEDSA-N 413.478 0.448 30 20 HCED COCCN(C)CCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 557303289 RCTHPMIGDIPVHW-UHFFFAOYSA-N 424.505 0.449 30 20 HCED CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 564124582 DKPPVCYPQZFFDN-VQTJNVASSA-N 411.462 0.865 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)C1=O 568820130 FRZGHJAIRYXKRC-HXUWFJFHSA-N 403.410 0.556 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 577294825 VFTSZNWCIVPTNF-GDBMZVCRSA-N 404.492 0.696 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC2(C#N)CCN(C)CC2)cc1 579510985 HLHULZQQDXCRBW-UHFFFAOYSA-N 407.496 0.418 30 20 HCED CNC(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(C)c1 582392029 ITIOODPYQDQBTE-UHFFFAOYSA-N 416.459 0.909 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1=O 583828111 DJVOBQLVGFYAKM-KRWDZBQOSA-N 414.462 0.925 30 20 HCED CC(C)N1CCC(N2CCN(C(=O)C(=O)NC3CCN(CC#N)CC3)CC2)CC1 588125734 JTYOGPGXWPNTKK-UHFFFAOYSA-N 404.559 0.108 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 590239477 WAWVMYBRDBDFAD-UHFFFAOYSA-N 422.283 0.492 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)cnc2n(C)c1=O 600491045 BLWKQZKOVFBLRC-GOSISDBHSA-N 418.457 0.655 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 608889516 XZQBEGBVNJXYCC-UHFFFAOYSA-N 419.485 0.749 30 20 HCED N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 610245384 NQIPEVSDVKFSSK-UHFFFAOYSA-N 415.400 0.892 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3cc(C)ccc3OC)CC2)C1=O 623213631 UHYUNLGOVLDBBG-UHFFFAOYSA-N 414.462 0.625 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725953064 RXTXMVHVONDZSB-KBRIMQKVSA-N 405.426 0.952 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 730657365 DDMFAXDJBGOMPP-ZDUSSCGKSA-N 424.417 0.958 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CSc2ccc3c(c2)OCCO3)CC1 733149051 WJJUJDNCQGWFCG-UHFFFAOYSA-N 403.504 0.834 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 733772613 AEQGWQQNBPRNEF-CQSZACIVSA-N 410.434 0.431 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCN(C)C2CC2)c1 735587972 PSJRNBVALUQYEK-XLNRJJMWSA-N 421.523 0.648 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc(F)ccc1N1CCOCC1 741087162 UISDNTABZUAVEK-VHEBQXMUSA-N 417.441 0.988 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 742141148 HERLLSHCIQGQLQ-MRXNPFEDSA-N 415.475 0.257 30 20 HCED C[C@H](CC(=O)NCCc1cccc(C(N)=O)c1)/N=C1/NS(=O)(=O)c2ccccc21 742617780 ATGCDLDMQOKJJI-CYBMUJFWSA-N 414.487 0.962 30 20 HCED C#CCCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 743970456 JMSNAQNNRDSROD-UHFFFAOYSA-N 400.479 0.828 30 20 HCED N#C[C@H](C(=O)c1ccnc(OCC(F)(F)F)c1)C(=O)N1CCS(=O)(=O)CC1 744129812 DAWKSWHVLFFSBY-LLVKDONJSA-N 405.354 0.602 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](O)C2CC2)c1 749694501 HTPAVMZMRZUZGR-UFPHYQGISA-N 408.480 0.325 30 20 HCED CC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749740257 AGLGETJHZTWTMJ-JPDJOPTESA-N 410.496 0.715 30 20 HCED C#C[C@H](CC)NC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 754388872 PRCUEIMZFZMLQM-QGZVFWFLSA-N 423.473 0.582 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(C)c2C)c1=O 758078828 BOJBPMZSCAIUIY-OAHLLOKOSA-N 409.511 0.814 30 20 HCED C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(=O)(=O)C1CCOCC1 765786033 ZEFWTQZHHHZLTC-KGLIPLIRSA-N 415.512 0.940 30 20 HCED 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30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](CCC)NC(C)=O)C3)C2)C1 1829675018 NCHSQAFHFCEZPY-RXVVDRJESA-N 407.511 0.714 30 20 HCED COc1ccc([C@H](O)C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1 1830212618 CDPUNQCTKPWELX-ICSRJNTNSA-N 403.435 0.099 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1830945703 PPVRERMCOIUVMG-UTKZUKDTSA-N 420.510 0.319 30 20 HCED CN(C)c1cncc(C(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831208976 DSZINZPELWKLOZ-QFIPXVFZSA-N 412.490 0.631 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1831215891 AVWXFMNABTWDMK-IBGZPJMESA-N 404.854 0.613 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1831402588 LGKBWQMLXBLVSC-RXVVDRJESA-N 418.494 0.158 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1831406449 PJRHLRCDTAGFSN-OAQYLSRUSA-N 420.510 0.956 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c1 1834249231 RNFSQOSLALRWFO-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C[C@H](CN)C(=O)NC1CCN(C2CCN(C(=O)/C=N/N3CCCCC3)CC2)CC1 1834661829 VGJFKPDQCMASSW-BXDFRRGMSA-N 406.575 0.625 30 20 HCED N#CCC(=O)N1CCC(N2CCC(NC(=O)c3ccc4c(n3)OCCO4)CC2)CC1 1835040749 JTCQEZDRKPWZRG-UHFFFAOYSA-N 413.478 0.952 30 20 HCED Cc1n[nH]cc1C(=O)N1CCOC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835102727 WMXRVVZFKDDWCK-JOCHJYFZSA-N 408.458 0.840 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5c[nH]nc5c4)C3)C2)CC1 1835342623 ZFCSXWDKTAZTKT-NRFANRHFSA-N 409.446 0.937 30 20 HCED N#CC1(C(=O)N2CCC(N3CCC(NC(=O)c4nc5ncccn5n4)CC3)CC2)CC1 1835350163 BAQWTYYJPNDFKG-UHFFFAOYSA-N 422.493 0.613 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835405584 BHPYSMOZSUSYSV-PKOBYXMFSA-N 413.540 0.020 30 20 HCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1837234739 KFOTVDLLLYDOMB-NCMZGWBGSA-N 420.597 0.556 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1837402844 LCWQUHAVUPMTEJ-UTKZUKDTSA-N 411.543 0.356 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCOC3)C2)C1 1837493750 VTRSDRWZMQNPSP-PGRDOPGGSA-N 420.506 0.178 30 20 HCED C=CCC(=O)N1CCC(OC2CCN(C(=O)CN3CCN(C(C)=O)CC3)CC2)CC1 1838301265 YYQARWCVWXOFLE-UHFFFAOYSA-N 420.554 0.725 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)cc3nn[nH]c13)CCO2 1838620030 MYZOIMDXYUGLNF-GOSISDBHSA-N 403.826 0.315 30 20 HCED COC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905505 JNCMSWOSRJFKCG-IERDGZPVSA-N 401.463 0.911 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1ccc(C(=O)OC)s1)CCO2 1839035641 ZZERDUGMSGKURN-LJQANCHMSA-N 406.460 0.167 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3ccnn3)C2)C1 1839890061 FBFFPJSWWHWAKM-YOEHRIQHSA-N 413.425 0.507 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc(C)[nH]n3)C2)C1)C(F)(F)F 1839893397 XJJQBITYSKYRBK-KRWDZBQOSA-N 416.400 0.836 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3Cl)C2)C1 1840041599 WRGNPJZMRCFBRI-FQEVSTJZSA-N 420.849 0.427 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4cncn4c3)C2)C1 1840161010 BTCSKZHDVRGTHX-AUUYWEPGSA-N 404.492 0.723 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840169474 GRXQNYRMUCYLFL-NRFANRHFSA-N 411.462 0.831 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840292374 LHRUOTHJHHSHHV-JOCHJYFZSA-N 415.490 0.498 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)CNC(=O)OC)CCO2)C1 1840319115 QUPDHDKYEWSRBM-HXUWFJFHSA-N 409.483 0.567 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)o3)CCO2)C1 1840506219 DZVZXOQJOYGGKA-UWJYYQICSA-N 404.463 0.625 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cn5cccnc5n4)C3)C2)CCC1 1840814035 LDJTXTJXCJAPJA-NRFANRHFSA-N 424.461 0.493 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)CC1CN(C(=O)OC(C)(C)C)C1)CCO2 1840868999 YZEIRRMMGJYFHW-NRFANRHFSA-N 421.494 0.333 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CC[C@H](N)C(N)=O)C2)c(Cl)c1 1842947046 UEWNPMXYKSNKOM-HNNXBMFYSA-N 403.870 0.621 30 20 HCED CN1CCN(CCC(=O)N2CC3(CCCN3C(=O)/C=N/O[C@H]3CCCCO3)C2)CC1 1844300234 SIYNPUKEBLBYRC-QCBCRBAMSA-N 421.542 0.356 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@@H](CCCNC(N)=O)NC(=O)OC(C)(C)C)C2 1845961071 SELYKOIODFCKBE-CQSZACIVSA-N 421.498 0.165 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)O1)C2 1847070645 VYZQNAOHZZTNHE-KGLIPLIRSA-N 420.466 0.215 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1nccc(OC)c1OC 1847263718 KDHOPGKEHQNSAL-LUNKNMTDSA-N 414.462 0.773 30 20 HCED C[C@@H](OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)Nc1cccc(C#N)c1 16161917 NNQCPAIBHONNMS-GFCCVEGCSA-N 424.417 0.266 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)CN(C)C)CC1 51762878 ABPZREIBUKSKFI-UHFFFAOYSA-N 418.542 0.657 30 20 HCED Cc1ccc(CNC(=O)C2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1F 52282469 IUNWJPLILDJZSS-UHFFFAOYSA-N 413.453 0.936 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)CCO1 409498810 FWDKYTBPNKCVNA-UONOGXRCSA-N 418.397 0.647 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 409503982 UEKIADGCYBXHIQ-NVXWUHKLSA-N 416.450 0.933 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 431844185 XFRDNHAPLLJLLP-UHFFFAOYSA-N 407.478 0.924 30 20 HCED CO[C@H](C)c1nc(CN2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cs1 439603358 VVVBSUREZBDSDY-CYBMUJFWSA-N 418.523 0.832 30 20 HCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1 441572190 MHOOVHMTOPITHA-IBGZPJMESA-N 407.474 0.902 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCCC[C@H]3C(N)=O)n2)cc1 442078161 JSCLODQMATWZIB-HZPDHXFCSA-N 409.450 0.687 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)n1 442088093 KSQCNKQOLPGTOP-SWLSCSKDSA-N 412.425 1.372 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 445970009 VTLSWRQEYRIAME-OAHLLOKOSA-N 418.523 0.549 30 20 HCED CNC(=O)N[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 466929848 UKLHIUPYROHDEU-QZTJIDSGSA-N 402.474 0.538 30 20 HCED Cc1cc(O)cc(=O)n1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 470495227 SVSXRCBGKPBSRU-UHFFFAOYSA-N 416.459 0.267 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCOC[C@@H]2C#N)c1 471226660 MKQVRUNLDITCHN-AWEZNQCLSA-N 410.496 0.889 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)CC2)c1C#N 472678315 OVHPSUHRDWORNU-UHFFFAOYSA-N 418.461 0.847 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cc1 480949983 HIMKXYMYSUXQEG-UHFFFAOYSA-N 422.466 0.736 30 20 HCED CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481244917 FFTPWSQGVRLBSH-XJKSGUPXSA-N 424.548 0.993 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1=O 499799052 RDXBSNOYJWHXOG-KRWDZBQOSA-N 413.478 0.944 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 502486377 IZGQGPZJQUSEHA-UHFFFAOYSA-N 413.455 0.709 30 20 HCED N#Cc1ccnc(C(=O)NCCC(=O)N2CCN(C(=O)c3cc(C#N)ccn3)CC2)c1 502869132 GRQYQLAEYSHVOV-UHFFFAOYSA-N 417.429 0.324 30 20 HCED Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508526011 MIHVTUUILKNTAU-UHFFFAOYSA-N 413.463 0.994 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508855843 IRBZXYWRICIYGA-IRXDYDNUSA-N 406.531 0.979 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(C)(C)CN1CCOCC1 508889021 QPZUFRAVCZDRPU-HNNXBMFYSA-N 414.576 0.869 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)cc1 509394676 KZZISLHSRFVYMW-HOCLYGCPSA-N 424.475 0.718 30 20 HCED CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)n1 516795552 MAKVEQJNAGTWCQ-JTQLQIEISA-N 413.415 0.755 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C1CCN(C)CC1 518725144 FKOCPXUOSGTZMG-UHFFFAOYSA-N 402.545 0.796 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OC(C)C)c2)c1=O 522275753 LSBOOFXLXPDWJF-UHFFFAOYSA-N 415.515 0.983 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1Cc1ccon1 532194199 NGGNRFIGYYMQDH-UHFFFAOYSA-N 411.399 0.103 30 20 HCED COC(=O)CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1 537350396 LNJIGEWMDMTBSK-UHFFFAOYSA-N 410.433 0.205 30 20 HCED CN(C)c1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 538829989 QOBBSTKSYAVUEB-UHFFFAOYSA-N 400.464 0.561 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCSC[C@@H]3C#N)CC2)c1 539332832 SWCKMHUJHYOPRW-KRWDZBQOSA-N 408.549 0.914 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 543640369 VOIAVZZCAAOIAQ-UHFFFAOYSA-N 404.422 0.317 30 20 HCED N#Cc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 554186949 XCGNMYOJQJKOKY-UHFFFAOYSA-N 408.461 0.775 30 20 HCED COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCC(=O)NCC#N 557786884 SVBGKBHXVSEXOG-UHFFFAOYSA-N 408.480 0.629 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 558426099 QPPGVXGXIFMHPI-RISCZKNCSA-N 400.482 0.528 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nc1 559628249 ZEMNUAMQEDTMBZ-SFHVURJKSA-N 418.457 0.841 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 559951386 NYWOJLMYGLMHIT-UHFFFAOYSA-N 413.478 0.615 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)o2)c1 561504648 CMJHBUOENQRQEE-SNVBAGLBSA-N 412.449 0.365 30 20 HCED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2)C[C@@H](C)O1 562377057 ATTHGARTGOIMET-OKILXGFUSA-N 420.491 0.843 30 20 HCED COc1ccc(CN(CCO)C(=O)C(=O)NC2CCN(CC#N)CC2)c(OC)c1 588127516 KATSZHAAUVTPDU-UHFFFAOYSA-N 404.467 0.129 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H](CC(N)=O)C3)n2)c(Cl)c1 588744672 BKRDMRLHOURIHB-GFCCVEGCSA-N 400.826 1.060 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 589798300 PINMTCWLIZFDOM-HNNXBMFYSA-N 423.491 0.390 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C 590983254 XIVXDBYYNGAUDN-UHFFFAOYSA-N 403.847 0.634 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 728533869 CMVQQOJKYFBEKH-UHFFFAOYSA-N 404.423 0.509 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCSCC(=O)OC)cn1 729818545 XCUYITDBQQOERU-LBPRGKRZSA-N 413.525 0.877 30 20 HCED CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 732898069 IGESBGWMMXYHNF-BWHBBIDMSA-N 424.523 0.961 30 20 HCED N#C[C@@H](C(=O)CCc1nc(-c2ccsc2)no1)C(=O)N1CCS(=O)(=O)CC1 732910593 RXZPDONRVZDDNA-LBPRGKRZSA-N 408.461 0.697 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCN(C)C1=O 737951076 FEPMXQPLKRAGSL-GJZGRUSLSA-N 406.508 0.973 30 20 HCED C[C@@H](CC(=O)N1CCC(N2CCNC2=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742563388 YYERNUXXMMOXSP-ZDUSSCGKSA-N 419.507 0.520 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745476161 BZEJVLVHYOLITN-BQGCOEIASA-N 417.805 0.856 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1 746541842 HDIRMBBOFHKYBX-UHFFFAOYSA-N 400.416 0.215 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 747291898 XXQHXWSFLYITLR-UHFFFAOYSA-N 419.500 0.758 30 20 HCED COC1CCN(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 751059097 VCIRNVBXXBAIMA-CQSZACIVSA-N 408.524 0.731 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3ccccc23)c1=O 758060704 JKNYELNTZMYSGJ-UHFFFAOYSA-N 417.490 0.962 30 20 HCED CN(C)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 769170489 YVTSJYRCEIEEKM-UHFFFAOYSA-N 401.448 0.529 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H]1O 774406855 VUIBDNMWXVWMNW-FNKULEBZSA-N 408.480 0.277 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3CC#N)CC2)C[C@@H](C)O1 777300041 AVYPNEOXDWYGSR-CALCHBBNSA-N 420.535 0.793 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1cc[nH]n1 789979413 GDXKFMIYESMYCQ-AWEZNQCLSA-N 417.397 0.754 30 20 HCED CN(CC(=O)NS(=O)(=O)CC1(C#N)CC1)S(=O)(=O)c1ccc(Cl)cc1 793213049 ZIWATZMVMJXQKA-UHFFFAOYSA-N 405.885 0.710 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795841792 UQUSDCPABLQGME-HWPZZCPQSA-N 419.356 0.562 30 20 HCED C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 799076352 LAIRSGCOCYPKNA-KGLIPLIRSA-N 412.464 0.500 30 20 HCED COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 802469376 KPIXZMDZJUNRKH-UHFFFAOYSA-N 410.482 0.754 30 20 HCED N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)n1 803553824 UUQVNHCTZDIQLR-JYRVWZFOSA-N 414.491 0.979 30 20 HCED Cc1nsc(N2CCN(CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)CC2)c1C#N 811786349 WTJQDZCFSYHENE-OAHLLOKOSA-N 413.507 0.754 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 814138358 RDJRCHBIFDHVAX-AWEZNQCLSA-N 403.439 0.574 30 20 HCED CC(=NNC(=S)NCC(N)=O)c1cc(Br)ccc1OCC(=O)O 814844091 AWOJBJSJOHLAJN-UHFFFAOYSA-N 403.258 0.586 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCc2c(nnn2CCOC)C1 815814348 DTVCGQAVJGDKDN-UHFFFAOYSA-N 401.398 0.599 30 20 HCED Cc1nn(C)c(-n2cccn2)c1C(=O)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N 816127619 AYPQYYMVDHNFCO-UHFFFAOYSA-N 415.391 0.813 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)n(C)c1=O 916885427 WRMFMHOWUGJMRD-LBPRGKRZSA-N 414.809 0.435 30 20 HCED COc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] 918379590 MSCJUZHDJSHPNZ-UHFFFAOYSA-N 404.404 0.958 30 20 HCED C=CCCn1cc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@@H]2C)nn1 988258122 RWHOULJFSIVPQW-AAEZLKGMSA-N 403.483 0.625 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1296131691 LHXJZDIAYDRULB-AEFFLSMTSA-N 414.558 0.995 30 20 HCED Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1297335065 MHAVSHFVJKQGRZ-HNNXBMFYSA-N 413.459 0.591 30 20 HCED Cc1nc(CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)oc1C 1318565058 WJJSQLOGNRHJSO-ISLYRVAYSA-N 402.455 0.645 30 20 HCED C=C[C@H](COC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1321226217 YOKYWPGZQQUYFH-OAHLLOKOSA-N 413.471 0.609 30 20 HCED CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)C1 1505137360 ILJWGQIPPOZWQR-UONOGXRCSA-N 405.484 0.283 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCn1ccnn1 1509685655 TXTBSRFUMIVFBV-MRXNPFEDSA-N 412.502 0.275 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3O)CC2)cc1 1621629396 TYLCZPKWSHQFMN-UHFFFAOYSA-N 407.473 0.959 30 20 HCED Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1707500381 RKPHYAAZZCKZNG-ZBFHGGJFSA-N 418.523 0.974 30 20 HCED CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1710987373 QWPNUHYGQZGBSW-KRWDZBQOSA-N 405.459 0.800 30 20 HCED CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1712699852 KQDDKRDPTFJJPA-UHFFFAOYSA-N 402.480 0.578 30 20 HCED N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 1712880956 KDHQLUHCELDJBZ-UHFFFAOYSA-N 421.486 0.928 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(C)(C)O 1726646537 VSKULXXLMRJKJA-GJZGRUSLSA-N 412.498 0.930 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1729204610 ZAPSOMSWDPNIAX-INIZCTEOSA-N 416.507 0.953 30 20 HCED CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1767554043 XDWQUVOYHSNNKT-CQSZACIVSA-N 408.528 0.692 30 20 HCED CCn1ccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)n1 1779101469 QCBFJNMTPTZEGH-XNWDXEOPSA-N 419.482 0.876 30 20 HCED Cc1nccn1CC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779107730 VSPOMCFLVCUZIQ-JVFQJLJGSA-N 419.482 0.550 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)N1C[C@H]2C[C@@H]2C1 1779135915 KDHRZQBWQKSOKE-UFIXSXDFSA-N 414.506 0.869 30 20 HCED Cc1ccc(=O)n(C(C)(C)C(=O)N2CC[C@@]3(CN(C(=O)[C@@H](C)S)CCO3)C2)n1 1779234790 BQLGZFGXQHRDMJ-AUUYWEPGSA-N 408.524 0.435 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](O)NC(=O)OCC)CCO2)C1 1779240982 QCXLRJYTBJAGNA-QRWLVFNGSA-N 411.499 0.873 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)Nc3ccccn3)C2)C1 1779324102 RATUXQGBVOHMJI-CSODHUTKSA-N 400.479 0.750 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)c4ccnnc4O)C3)C2)cc1 1779911548 XXCHVVNGOBBMDG-OAQYLSRUSA-N 407.430 0.740 30 20 HCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780691402 CIXFCHNEBHDUNO-LJQANCHMSA-N 405.476 0.436 30 20 HCED CC(=O)NCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc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c3cnc(OCF)cn3)C[C@@H]21 1784501747 TVYAACDCKWMTMN-AESZEHBQSA-N 422.457 0.967 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785630876 DNEHCSZPMQBVRJ-AESZEHBQSA-N 420.466 0.480 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@](C)(O)C(F)(F)F)C[C@@H]21 1788569947 GMLJENYOGFFLGC-BNIMDDLWSA-N 422.444 0.853 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788660845 OYUKJDODSINUAC-IZHAEGTOSA-N 424.542 0.835 30 20 HCED 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C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccc(Cl)cc1)C2 1793425941 RDUCRAKUNKBEHD-BCEDRHLLSA-N 417.893 0.793 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 1794005246 QOOYSCHIWRMYHR-HGKCTWBKSA-N 424.417 0.566 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)c3ccnnc3)c2c1 1794673684 WKKKCPZCLQNWBN-JLVBRIDZSA-N 417.429 0.742 30 20 HCED Cn1cncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1794834372 JMAORDLTEPWQSC-CWPLJXCYSA-N 411.437 0.877 30 20 HCED Cc1nccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)n1 1796658684 YPXOOJDXHGSCMJ-ROHKSLLLSA-N 417.466 0.517 30 20 HCED C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC#N)C2 1797302581 VUPGHZSHVJZUGI-RPUYLAQPSA-N 420.510 0.993 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3ncccn3n1)C2 1797713320 LVVVRFLGEKPUHL-KPEUIFRASA-N 413.478 0.506 30 20 HCED 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N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2ccc(OCCO)cc2)cn1 460606998 LXYJDFASCBDVHD-UHFFFAOYSA-N 406.402 0.765 30 20 HCED CCCN(C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 460710169 ABZNJOIUFLNELL-KRWDZBQOSA-N 409.494 1.576 30 20 HCED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 460784527 SCMKUJJLYAQLLE-UHFFFAOYSA-N 423.543 0.944 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nc([C@@H](C)OCC(C)C)no2)C1=O 465193316 FTCAVHKMUQERLW-GFCCVEGCSA-N 407.427 0.738 30 20 HCED CC[C@@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)N1CCOCC1 472078014 ZPNQWKNWNRXODS-MRXNPFEDSA-N 403.487 0.069 30 20 HCED CC(C)(C(N)=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 477371816 IGEXROIBTZRTRY-UHFFFAOYSA-N 406.508 0.786 30 20 HCED C=CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccc(OC)s2)c1=O 477452356 YUGAXZRVQKWXKN-GFCCVEGCSA-N 419.528 0.820 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCC2CCN(CC#N)CC2)c1 478854813 OSYQXYJKDXUGJI-UHFFFAOYSA-N 406.508 0.909 30 20 HCED C[C@H](C(=O)NC[C@@H]1CCCN(CC#N)C1)[C@H](C)C(=O)NC[C@@H]1CCCN(CC#N)C1 484430121 IDXIXLLKHMBHMT-MUGJNUQGSA-N 416.570 0.962 30 20 HCED CN(CC(=O)N1CCN(C[C@H]2CCOC2)CC1)S(=O)(=O)c1ccc(C#N)cc1 488833614 WEFUENAYQQAGTB-QGZVFWFLSA-N 406.508 0.359 30 20 HCED COCCN1C[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)CC1=O 498720770 SGZBPRGLCWTZOP-PKOBYXMFSA-N 400.479 0.899 30 20 HCED COCc1cnc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 499461655 ZXJYAXSLEIUMFO-LLVKDONJSA-N 401.452 0.627 30 20 HCED CCN(C)C(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 500250632 JBBDTIGTGNJTST-UHFFFAOYSA-N 415.494 0.791 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCN(C)CC1 501035209 KAIWRIWPMNOXJB-UHFFFAOYSA-N 400.527 0.796 30 20 HCED CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc1Cl 508380117 SMKCAIOBASBGAB-UHFFFAOYSA-N 417.857 0.944 30 20 HCED CC(C)(C#N)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 510645253 HGDDROGQCUZECH-INIZCTEOSA-N 400.435 0.305 30 20 HCED Cn1c(=O)oc2c(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cccc21 511717263 WSJLUZPOHKUNEQ-UHFFFAOYSA-N 406.402 0.685 30 20 HCED CN(CC(=O)N(C1CC1)[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1 514381257 BUOHZLSRCSNKJV-HNNXBMFYSA-N 411.505 0.357 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)C1=O 523388849 HUDHZEBAOOOQFN-KRWDZBQOSA-N 414.462 0.461 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC(N)=O)c2=O)cc1 527279869 LPMSNCNSLQZVJH-OAHLLOKOSA-N 411.483 0.202 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)NC(C)(C)C 531545860 XSPKDPLYMYOKOZ-CYBMUJFWSA-N 409.516 0.286 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 543240312 SDWQPRWOAVEHFH-INIZCTEOSA-N 417.510 0.664 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCC(C#N)(c4ccccn4)CC3)c2n(C)c1=O 548772393 PIEHEKVEHNBUBK-UHFFFAOYSA-N 406.446 0.518 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1)N1CCOCC1 550278625 ZCKUXNAUBCYLEU-FQEVSTJZSA-N 413.522 0.680 30 20 HCED CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(c2cnccc2C#N)CC1 557746434 HHYXJOYBOSNMHE-HNNXBMFYSA-N 411.553 0.663 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N 558234179 XHEOOKLUSGYNMK-CQSZACIVSA-N 411.459 0.413 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)cc1 558524849 JFXROUSBVCGYSV-HNNXBMFYSA-N 414.491 0.780 30 20 HCED Cn1ccnc1CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 561296600 PMISWPSQBGZYPA-UHFFFAOYSA-N 409.406 0.505 30 20 HCED C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564070975 INGBVDJQNJWDKV-ATZDWAIDSA-N 411.506 0.574 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)OC)C1=O 565497222 LYVGUHQWLZPGJQ-ZFWWWQNUSA-N 401.419 0.500 30 20 HCED CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 576901432 XFIVEQOZIXLUIL-OALUTQOASA-N 411.506 0.968 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1Br 583240535 HZUITDBITJNJST-LLVKDONJSA-N 423.266 0.193 30 20 HCED CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccnn1C 589213050 QBWQQFYEKCBYQS-QGZVFWFLSA-N 409.494 0.891 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1C1CC1 590997076 TXAISGNJLWKOCE-CYBMUJFWSA-N 413.499 0.907 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2c(OC)cc(OC)cc2OC)C1=O 594519510 SPMJRPXWHNLDPY-UHFFFAOYSA-N 405.407 0.348 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 603806387 RRKVKFQLYAARQS-UHFFFAOYSA-N 422.511 0.679 30 20 HCED CC(C)[C@H](C#N)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 609484513 CJKJWTCIZNVWCY-SFHVURJKSA-N 407.540 0.158 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(CC)[C@H](C)C2)cc1 677218968 VRZDIVRRMDWPHG-OAHLLOKOSA-N 408.524 0.984 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725949995 JDBAPLGREQGIAX-GLQYFDAESA-N 407.398 0.345 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccccc2OC)C1=O 726042999 IOLZTNXHHHDYSO-QWHCGFSZSA-N 417.418 0.781 30 20 HCED C=CCc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1OC 728698588 OOJSZXSMZPZYBT-IRXDYDNUSA-N 424.519 0.660 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1 731546689 OGQISXBNSSLFKS-UHFFFAOYSA-N 400.479 0.696 30 20 HCED C#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1 735864464 RSKQYXBQHVPBNV-INIZCTEOSA-N 411.505 0.334 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 743891932 TXKWILZNYLXFGI-CYBMUJFWSA-N 411.455 0.564 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 744033911 WYBUJVYLQFEMJZ-MRXNPFEDSA-N 415.427 0.915 30 20 HCED CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 745495799 IJZVYORNBFWADY-NEPJUHHUSA-N 424.479 0.670 30 20 HCED CCc1ncc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCOC)c2=O)s1 752194261 MTKUMDKJGKNAKZ-UHFFFAOYSA-N 420.560 0.850 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1 753010348 UEYBUBSMZGQMSE-UHFFFAOYSA-N 408.399 0.922 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)n(C)c1 755552838 OGFAWAKNBXTHLR-TZMCWYRMSA-N 403.439 0.508 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCNS(=O)(=O)c2cccnc2)C1 756886585 OHVGQDPSWDJDFB-ZFWWWQNUSA-N 423.495 0.625 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O 758473859 RAZIDLRVROPENF-GFCCVEGCSA-N 414.484 0.433 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2cnn(CC#N)c2)cc1 759128867 HUKZKKOBZOXECT-UHFFFAOYSA-N 418.479 0.596 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1cnn(C)c1 762529878 UCQQPOSASKACGB-JKSUJKDBSA-N 419.507 0.723 30 20 HCED C#Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 766650385 TXBGTGJZVPUPEJ-UHFFFAOYSA-N 415.475 0.181 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@@H]2c2nccs2)c1=O 769797573 BVFSVSNHLDOGDX-CYBMUJFWSA-N 407.521 0.748 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ncccc2F)CC1)c1cc[nH]n1 772464885 SYKCNCQWFLPXBR-UHFFFAOYSA-N 404.402 0.576 30 20 HCED CC#CCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773649315 RTIVTDXDYCIGDG-UHFFFAOYSA-N 403.482 0.114 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)N3CCSCC3)CC2)o1 774978028 DEKTWJPPBBEDCN-ZDUSSCGKSA-N 407.496 0.484 30 20 HCED CS(=O)(=O)CCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 775991745 VEEWIPGLJOVMMI-MRXNPFEDSA-N 410.565 0.966 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)NS(=O)(=O)CCCC#N)cc2[N+](=O)[O-])CC1 776119337 MALRCZFPSVKYLD-UHFFFAOYSA-N 423.451 0.627 30 20 HCED Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NS(=O)(=O)CC(C)(C)C#N 776142408 MBDWOAVEHMWYLZ-UHFFFAOYSA-N 416.525 0.809 30 20 HCED N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 781597108 DPSYLEGHLODPFV-UHFFFAOYSA-N 416.390 0.868 30 20 HCED CCOCCCn1c(=C(C#N)C#N)sc(=Cc2cc(Br)nn2C)c1=O 782573273 XXEVEZPAQZDIIK-UHFFFAOYSA-N 422.308 0.859 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)[C@@H]1CCS(=O)(=O)C1 783482632 YWSPNJBZOXJBFR-WBVHZDCISA-N 406.460 0.442 30 20 HCED C[C@@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 787559060 LZBQVGAQSAEHRY-GFCCVEGCSA-N 404.448 0.609 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789117044 IXKJGQNEKPYSBW-AGRHKRQWSA-N 422.482 0.588 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)COc2ccc(C)cc2)CC1 793767631 UCOZOHKJMVZOLO-KRWDZBQOSA-N 402.495 0.325 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 795841799 UQUSDCPABLQGME-QLJPJBMISA-N 419.356 0.562 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 798061137 VLMOCOOAIYWECE-QAPCUYQASA-N 421.519 0.923 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)C1=O 799268114 GXNYYGJYPAYOFI-AWEZNQCLSA-N 416.434 0.836 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 799283665 MTTURYNHWQMPPA-HDHZYAPQSA-N 420.491 0.328 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCCO1 803399292 MNYPRRQHULJFCB-OTWHNJEPSA-N 403.454 0.612 30 20 HCED C=CC[C@@H](NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1)c1ccncc1 805813814 MJQFIIGEZQQRNZ-LJQANCHMSA-N 413.522 0.828 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)NCCn3cnc(C#N)n3)cc2)CC1 806257708 ORSDQXBWLGJJKV-UHFFFAOYSA-N 412.454 0.266 30 20 HCED CCOC(=O)N(C)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 810322165 MXGTTZXGLSEUNG-UHFFFAOYSA-N 408.480 0.916 30 20 HCED CNC(=O)OC[C@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 813726790 HFJYGRYFYHDCNZ-DZGCQCFKSA-N 408.480 0.962 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)CN(C)C 815684394 MSYCRKUZWRBTTA-CHOFAJOMSA-N 423.539 0.752 30 20 HCED C#CC[C@]1(C(=O)NCCOCCS(N)(=O)=O)CCCN1C(=O)OC(C)(C)C 816594107 PQCZHZCLCGEQCK-QGZVFWFLSA-N 403.501 0.201 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 927353310 KKQGEYSSQWFDKG-UHFFFAOYSA-N 415.362 0.519 30 20 HCED C#CCN1CCC(C(=O)N2CCO[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]32)CC1 960499134 MHZJFFHWVARQLX-SWBPCFCJSA-N 401.507 0.337 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CN1C(=O)NC(=O)C1(C)C 1000343238 LCPUCBACZGOQLK-MRLBHPIUSA-N 404.467 0.156 30 20 HCED 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N#CC1(C(=O)NC2CCN(C3CCN(C(=O)[C@@H]4CCC(=O)NC4)CC3)CC2)CC1 1834599171 FBMJRBDSQUVDGY-OAHLLOKOSA-N 401.511 0.388 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3F)C2)C1 1834767879 ZHQVPUOGMKDPOG-IBGZPJMESA-N 420.397 0.646 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835267127 AIMLDQZTHSVPGL-NRFANRHFSA-N 401.463 0.789 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cocn3)C2)C1 1835673079 VWWQGFWSJPYNQA-IBGZPJMESA-N 405.455 0.026 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)C3CCC(CO)CC3)CC2)CC1 1837085967 RDABXMLMSLRFLS-UHFFFAOYSA-N 420.506 0.872 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cc5n(n4)CCC5)CCO3)C2)C1 1837088584 KBCCPYYHZXVXNQ-NRFANRHFSA-N 400.479 0.866 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc3ncnn3c1)CCO2 1837171321 JPGWIVKGKHURSJ-NRFANRHFSA-N 411.462 0.603 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(O)n4c3CCCC4)CCO2)C1 1837759371 BVOJCUWXJMJHGM-ORAYPTAESA-N 424.523 0.313 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(F)c[nH]4)C3)C2)c1 1838742215 YRQBQUUNUMLKHA-IBGZPJMESA-N 401.398 0.737 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1)n1ccnn1 1838908423 ZUDZJFNEYGUHOD-IIBYNOLFSA-N 424.461 0.481 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnc[nH]4)C3)C2)c1 1839451666 IEAWJJNQMSEHLK-OAQYLSRUSA-N 409.446 0.974 30 20 HCED C=CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CCO2 1840089924 NEAHZPPZTHAPDN-FOIQADDNSA-N 411.499 0.932 30 20 HCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccc1O 1840163625 WHGHJJWOPMOCGX-DJJJIMSYSA-N 410.492 0.789 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1cncn1)CCO2 1840415477 FNXWKMHALDKJLS-CRAIPNDOSA-N 409.512 0.215 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCn3ccnn3)CCO2)C1 1840445737 JWIDAQKMMFTKQK-FUHWJXTLSA-N 411.528 0.079 30 20 HCED O=C1CN(CC(=O)N2CCCC23CN(C(=O)/C=C/C(=O)c2cccs2)C3)C(=O)N1 1841891229 WXTOVHZHOYHYTN-SNAWJCMRSA-N 416.459 0.242 30 20 HCED CN[C@H](CC(=O)N1CCCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2)C(=O)O 1842948750 GQWLMWLUVDCJKK-MRXNPFEDSA-N 403.866 0.958 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 1843983855 PBQABRSPIITOAA-YWZLYKJASA-N 405.495 0.831 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)c2n[nH]cc2[N+](=O)[O-])C1 1844412155 VXFXKFJHCUUKPE-FRSZACSASA-N 406.399 0.664 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1847806864 YHTOGGJOFROLCW-YVSFHVDLSA-N 423.510 0.502 30 20 HCED CNC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c2ccccc2O1 31583234 OZCXORIUNSYGHP-GOSISDBHSA-N 424.461 0.517 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 437421584 OEYCVQLHCTXFBI-ZDUSSCGKSA-N 409.512 0.950 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)cc1 440328886 MBMRIFUIYCZJNU-CYBMUJFWSA-N 407.492 0.965 30 20 HCED Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1C#N 441993290 FBJNYMRDSUFVIS-UHFFFAOYSA-N 421.461 0.450 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CNS(=O)(=O)CCOC(C)C 461748320 JPCDHLQHKJYDNP-UHFFFAOYSA-N 406.468 0.730 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCCC(N)=O 463516767 NYQHBJVUJXNBRZ-UHFFFAOYSA-N 402.432 0.973 30 20 HCED COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 464010591 KXZYKHQBKJBZJX-CQSZACIVSA-N 401.398 1.085 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2 465420855 JLCLSTKBSUCHSG-GFCCVEGCSA-N 421.417 0.355 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 465460051 SMILXLSGWHXZGL-NXHRZFHOSA-N 412.494 0.945 30 20 HCED N#Cc1cccn(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1=O 467211893 PWLHLROOFMFHSK-SFHVURJKSA-N 408.414 0.231 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCN(c3nc(N)ns3)CC2)c1 473939529 JIUVDOPUUQFUKH-HNNXBMFYSA-N 411.491 0.832 30 20 HCED COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 476710548 BGXXFTORXASRLP-UHFFFAOYSA-N 407.430 0.956 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 479642650 PQNFFSFJUWYMTP-UHFFFAOYSA-N 400.479 0.958 30 20 HCED C[C@]1(C(N)=O)CCN(c2cc(N3CC[C@@](C)(C(N)=O)C3)cc(C#N)c2[N+](=O)[O-])C1 481045457 XLAIMSVINILBPN-MOPGFXCFSA-N 400.439 0.870 30 20 HCED COC(=O)Cn1ncc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1C 483915985 ASXHLNJWOSOSAS-QGZVFWFLSA-N 424.461 0.540 30 20 HCED Cn1cc([C@H](CO)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 494807956 IZDXDDZIEDUGCV-RBUKOAKNSA-N 400.458 0.591 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2cccc(Br)c2)cn1 496358718 QXAGKDKJWDGBRR-CYBMUJFWSA-N 412.269 0.842 30 20 HCED CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CC(=O)NC1=O 502553526 VKPHNVFYVHTSLH-INIZCTEOSA-N 418.475 0.223 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(F)c1 504266053 RKVHBQVGAVLRRD-LLVKDONJSA-N 411.436 0.648 30 20 HCED CCc1nc(CN(C(C)=O)[C@H]2CCN(S(=O)(=O)c3ccc(C#N)nc3)C2)no1 513844457 WJVRIPAXNHZSHJ-AWEZNQCLSA-N 404.452 0.710 30 20 HCED N#C[C@@H]1CN(C(=O)NCCN2CCCS2(=O)=O)C[C@@]12C(=O)Nc1ccccc12 514001735 NEUHIGNGSUFUQV-FZKQIMNGSA-N 403.464 0.077 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)n(C)c2n(C)c1=O 516593157 NGHQZTOMPRQCNE-SFHVURJKSA-N 420.473 0.598 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccncc3)c2=O)CC1 516828078 QMCMNVDHCUTDKA-UHFFFAOYSA-N 409.515 0.353 30 20 HCED C=CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@@H](C)c1cccc(-n2cnnn2)c1 518230728 ODCNOVMVIXKBGZ-AWEZNQCLSA-N 419.449 0.882 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2SCCc3ccccc32)CC1 519838218 GCIWYKPOCUXGEE-GOSISDBHSA-N 416.547 0.580 30 20 HCED C[C@H]1CS(=O)(=O)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 527505308 TUVINXJPNFHULY-MAUKXSAKSA-N 408.499 0.653 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCN2C(=O)CNC2=O)n1 541137795 DKJRZCHUKINZDK-UHFFFAOYSA-N 415.797 0.004 30 20 HCED CS(=O)(=O)Nc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 552825850 WLSMTZAUHYKDCD-UHFFFAOYSA-N 408.461 0.847 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)c3c(C)noc3C)CC2)c1C#N 554839460 YSMQFQHMEAAXAQ-GFCCVEGCSA-N 413.482 0.774 30 20 HCED COCCN1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 554852538 IMJTVMIZZYWNOE-UHFFFAOYSA-N 420.491 0.234 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Oc2ccc(C)cc2)CC1 556214648 KQIOOQGVGKJCGC-QGZVFWFLSA-N 402.495 0.325 30 20 HCED N#Cc1ncn(CCNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)n1 571098570 BRABORPQERODMB-OAHLLOKOSA-N 403.393 0.918 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NC[C@H]3CCN(C4CC4)C3)C2=O)cc1 572786076 KXVPEWCKVZHBHO-APWZRJJASA-N 409.490 0.770 30 20 HCED N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 573303619 LZGJZSBYJNZQLD-UHFFFAOYSA-N 407.477 0.112 30 20 HCED COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)cc1 576067161 JLRDOCOSFBKMHK-UHFFFAOYSA-N 413.499 0.391 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 576526915 YKYYXXXDXNCIJT-OAHLLOKOSA-N 401.448 0.892 30 20 HCED Cc1nc2ccc(NC(=O)C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2n1 580650849 SZTJWPGJOBDNCA-QGZVFWFLSA-N 417.429 0.765 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2nccn2Cc2ccccc2)C1=O 582594580 IGPASBGJJCKHGK-SFHVURJKSA-N 409.490 0.835 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCc2c[nH]c3ncccc23)CC1 582686461 RUXRGPXQSFGQMZ-UHFFFAOYSA-N 403.446 0.837 30 20 HCED Cc1cc(C#N)cnc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 590243662 BEXDIRDYJTWLNP-UHFFFAOYSA-N 400.464 0.991 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1 606095677 ZSDFVCGIRYECAZ-MRXNPFEDSA-N 403.439 0.296 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 609108152 OGFZNENOLLXKHK-WBVHZDCISA-N 404.492 0.337 30 20 HCED CCc1ccccc1-n1c(=C(C#N)C(=O)NC)sc(=Cc2ccnn2CC)c1=O 611078476 AKCBHBDOXQKSHQ-UHFFFAOYSA-N 407.499 0.927 30 20 HCED CN1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)C1 611361165 VTVNPDJTANGCNL-MRXNPFEDSA-N 401.515 0.687 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCc2nnnn2C2CC2)n1 611887651 PQSYDJQEACYJQP-UHFFFAOYSA-N 411.813 0.974 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)c2ccc(CNC(C)=O)o2)C1=O 726043834 SOBWNTHMHPHNOY-SNVBAGLBSA-N 405.363 0.007 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3cnn(C)c3)c2=O)c1 726580635 ADZSNTDKKRIWBQ-UHFFFAOYSA-N 417.494 0.641 30 20 HCED CS(=O)(=O)c1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c1 727007319 CWNRRCJTPVDNCM-UHFFFAOYSA-N 415.427 0.873 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)NCc3ccc(OCC#N)cc3)cnc21 728587518 RGRXUJPXMCWCKH-UHFFFAOYSA-N 401.404 0.415 30 20 HCED C#CCOc1ccc(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 731113898 XFZCOTFILGDWLM-UHFFFAOYSA-N 400.435 0.234 30 20 HCED CN(C[C@@H](O)COCc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732891625 PIBFXBIKUJNEEW-VRTBNJGNSA-N 402.451 0.732 30 20 HCED CCOC(=O)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 737307637 SXNLECMYSWBLSO-NXVVXOECSA-N 400.391 0.444 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)OCC(=O)NC2(C#N)CCCCC2)C(=O)C1 741371545 GDYKCOBPBOVYLY-UHFFFAOYSA-N 422.482 0.952 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CC(C)C 743728703 OPWRBXRSOVNMRQ-UHFFFAOYSA-N 415.519 0.214 30 20 HCED CCOC(=O)c1csc([C@@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 744072370 RWQGRNSBIBIGCA-YPCYXAEESA-N 403.416 0.658 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)CC1 747738788 OUPGPFVVIOYRPP-UHFFFAOYSA-N 405.520 0.912 30 20 HCED C=CCSc1ccccc1NC(=O)COC(=O)Cn1cc(S(N)(=O)=O)cn1 748425467 CXLRFFXBATVTGY-UHFFFAOYSA-N 410.477 0.991 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CCOC 748791726 YREIEVLRCRLRSV-UHFFFAOYSA-N 416.528 0.909 30 20 HCED C#CCCN1CCN(S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)CC1 751044651 VNUADPQFAYYWQO-UHFFFAOYSA-N 400.478 0.651 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCSC)c2=O)cn1 751838483 VYRJRBAIMHRAPX-UHFFFAOYSA-N 419.576 0.764 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 757836355 FSRYQASHEMCAEF-JHXTVGTDSA-N 408.455 0.677 30 20 HCED COCCN(C(=O)CN1CCO[C@H](c2cccc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 761757235 JFAIHEVCPCSYAC-OALUTQOASA-N 421.519 0.594 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCN(C)CC2)nc1)c1cc[nH]n1 770820462 ATBWDXSEJLLZFN-UHFFFAOYSA-N 415.454 0.479 30 20 HCED Cn1cnn(-c2ccc(NC(=O)C(=O)NCCNc3ncccc3C#N)cc2)c1=O 771189260 DNTUYZJFAYHTJE-UHFFFAOYSA-N 406.406 0.004 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(C(F)(F)F)ccc2F)c(=O)n(C)c1=O 771892927 WFHYIQSBBJPKBW-UHFFFAOYSA-N 408.333 0.554 30 20 HCED Cn1cc([C@H](CO)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 778402366 HQBZTEQIOPPNNU-INIZCTEOSA-N 419.507 0.869 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2ccc3c(c2)OCCO3)CC1 783011833 DHSMTQMEAVDTJH-UHFFFAOYSA-N 409.508 0.886 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 783542367 SAWZFFNHWIZPIY-UHFFFAOYSA-N 415.265 0.762 30 20 HCED COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787777926 NIHDITHYUZVOMR-INIZCTEOSA-N 408.462 0.885 30 20 HCED C[C@@H](C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)cc1)n1cnc(C#N)n1 798748176 SFARABRFJCRASW-LBPRGKRZSA-N 405.436 0.229 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCOc2cccnc2)CC1 804074433 XCXDIXWTMFTNMT-UHFFFAOYSA-N 410.434 0.662 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)C2)c(F)c1 805588301 QWIZGOTUBFGQMH-PBHICJAKSA-N 402.426 0.933 30 20 HCED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 815009792 DEDMNCPYSQKQSV-UHFFFAOYSA-N 423.535 0.930 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 918477642 JGWXVTATPBKVSM-AKKXKAEUSA-N 421.523 0.648 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)o1 1256338454 FPRHHVHINBKKRS-SFHVURJKSA-N 416.526 0.594 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)N(C)C 1288862101 HFUMRNMVOBFFHI-IJEWVQPXSA-N 424.575 0.015 30 20 HCED CCCc1ccc(S(=O)(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)cc1 1306936521 RDLIPBHIQJWHOT-UHFFFAOYSA-N 417.491 0.409 30 20 HCED CS(=O)(=O)[C@H]1CCCN(CC#CCN2CCC[C@H](S(C)(=O)=O)CC2)CC1 1322277949 QSOIFADXUOIPHE-ROUUACIJSA-N 404.598 0.788 30 20 HCED N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2)c(F)c1 1346211458 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0.204 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccnc1)CCO2 1834006783 VDOPVAVFYAPYSX-KURUZVKSSA-N 415.494 0.623 30 20 HCED N#CCC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)C1 1834760591 OZEYYSFAIIHJAC-NRFANRHFSA-N 415.446 0.718 30 20 HCED COc1ccc(F)c(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)c1OC 1834765858 WMYGUUAQYPCXFT-HXUWFJFHSA-N 421.425 0.827 30 20 HCED CCn1nc(C)cc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342638 ZWJAOHFTLXNHPR-HXUWFJFHSA-N 401.467 0.585 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COCc1ccccc1)CCO2 1835367787 VFLZYKXGQKVBTM-OAQYLSRUSA-N 401.463 0.963 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](N)c3ccccn3)CCO2)C1 1835695511 LQABSXNMENXKHI-JXFKEZNVSA-N 401.467 0.088 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)CCO2)C1 1837278308 DYYHXHIXBVCOOS-KKXBDNRESA-N 421.538 0.374 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)c3ccncc3)C2)C1 1837440913 GHFQGGXKMPVBMJ-VSIOZEBNSA-N 415.494 0.623 30 20 HCED Cc1noc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1837951490 UVSWMNNJHQVSAO-UHFFFAOYSA-N 404.423 0.007 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc4c(Cl)cccn34)C2)C1 1839807750 KJRYUECREIDZTJ-LJQANCHMSA-N 402.838 0.691 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(OC)cc3OC)C2)C1 1839810050 AVHSNRMWRYGSCK-QFIPXVFZSA-N 416.474 0.726 30 20 HCED Cc1ccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840041136 SSGITOFZBDHABP-HXUWFJFHSA-N 420.487 0.534 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnn(-c4cccnc4)c3)C2)C1 1840172116 SIBSDQAWVZLZFC-NRFANRHFSA-N 411.462 0.913 30 20 HCED C/C(=C/C(=O)N1CCO[C@@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1)C(=O)O 1840837716 BWIWTRMCTNMLDD-IPEDIRPISA-N 419.434 0.186 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Nc3ccccn3)C2)C1 1840843059 RKAPKMRMDWMVGI-UTKZUKDTSA-N 400.479 0.752 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)c2cc3n(n2)CCNC3=O)C1 1842563534 BZHZKFJUKROYJH-HNNXBMFYSA-N 401.467 0.017 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)CC1 1843973760 CPUPILNLLRARNZ-WSDLNYQXSA-N 415.494 0.066 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@H](CCC(=O)N(C)C)NC(=O)OC(C)(C)C)C2 1845959952 XQXOSACJXSYWLQ-HNNXBMFYSA-N 420.510 0.585 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C 1847802775 JZCQXLBFCNUWPM-NCOADZHNSA-N 422.526 0.469 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 11651975 PZTTVHNGZYDWPI-UHFFFAOYSA-N 404.448 0.961 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)NCCSCc1ccccc1C#N)c(=O)n2C 18107714 WSWPYHQRIDGXQY-UHFFFAOYSA-N 412.475 0.355 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO 409494489 PDXLWHUPWOZDQQ-OALUTQOASA-N 410.540 0.566 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 425965918 JGXDVYDTJIQTKU-UHFFFAOYSA-N 402.432 0.954 30 20 HCED C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1 428269911 RODUHVIGZOKRBW-HOTGVXAUSA-N 405.524 0.954 30 20 HCED Cn1c(NC[C@@H](CO)Cc2cccc(Br)c2)c(C#N)c(=O)n(C)c1=O 428669555 AVPIHYWHXSBLPZ-LBPRGKRZSA-N 407.268 0.981 30 20 HCED CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@@H](C)C1 441055581 XALGLJRQPVXQJG-YJBOKZPZSA-N 409.494 1.325 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 442898538 HRUHZQZZKGYORL-SNVBAGLBSA-N 417.900 0.884 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 444554163 QKDXQHXNNPIVQY-GJZGRUSLSA-N 408.524 0.529 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(COC)cc2)c1=O 461357162 ANGFQZHVSABOSY-UHFFFAOYSA-N 415.515 0.732 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 469868951 BUOQESUQNWYGDC-UHFFFAOYSA-N 419.551 0.170 30 20 HCED C=CCn1c(O)nnc1S[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 470841111 REDBHHLTIVVDPY-LLVKDONJSA-N 411.509 0.657 30 20 HCED C=C(C)COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 474561518 SRPLFISBULMMGO-UHFFFAOYSA-N 409.508 0.862 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)NCCNS(C)(=O)=O)c(C#N)c2N)cc1 477840017 ISJAXABFFMYRCP-UHFFFAOYSA-N 419.511 0.416 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cc1 478771692 PQYHXKKHOQREAC-LJQANCHMSA-N 413.522 0.801 30 20 HCED C[C@@]1(C(N)=O)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 483263258 NCKSBKZRQPJLQE-HXUWFJFHSA-N 412.450 0.652 30 20 HCED Cn1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(N)=O 486612244 PKBHARUKKLAXEG-OAHLLOKOSA-N 401.448 0.075 30 20 HCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCC(C#N)CC1 490419649 QCRFQHFPRUOWOK-UHFFFAOYSA-N 406.464 0.837 30 20 HCED CCOC(=O)CNC(=O)[C@@H]1COCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 497556086 HNSIUBYOZJLUEU-HNNXBMFYSA-N 408.842 0.530 30 20 HCED CCc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2C)c1=O 502061950 DQDHWKPRVQUZEL-UHFFFAOYSA-N 419.510 0.977 30 20 HCED CCOC(=O)c1c(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)c(C#N)cn1CCOC 504700351 MHMWXPVXSAMSTC-ZDUSSCGKSA-N 412.468 0.834 30 20 HCED COc1cccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c1OC 510112946 NBLWUBQLOBKRKK-CQSZACIVSA-N 410.496 0.940 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cccc(OC)n2)c(=O)n1CC(N)=O 527280110 UHNBQXCPMOMAGZ-UHFFFAOYSA-N 414.487 0.307 30 20 HCED N#CCCN(C(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 533382901 RJVIUCQCIVJHBB-ROUUACIJSA-N 406.508 0.021 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2ccc(Cl)c(F)c2)C1=O 534771227 LEWGDXZSOVQDKS-CYBMUJFWSA-N 411.773 0.786 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(F)c1 537182368 JWVFZAMFSKBPHQ-XHDPSFHLSA-N 406.432 0.851 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 539689771 QRSJGVWPBKBXHK-LBPRGKRZSA-N 406.870 0.667 30 20 HCED COc1ncncc1NC(=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 542084462 GHTUXQUMIYGNAI-UHFFFAOYSA-N 420.433 0.812 30 20 HCED C=CCn1c(Cc2noc(Cn3cc([N+](=O)[O-])cn3)n2)nnc1N1CCOCC1 544285836 WRYLJNDSZLMPPT-UHFFFAOYSA-N 401.387 0.428 30 20 HCED Cc1c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cnn1-c1ccccn1 548042420 JCMKEZHEAAUMFK-UHFFFAOYSA-N 414.451 0.808 30 20 HCED C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 548735732 UJBFIWWSXYLMMI-KRWDZBQOSA-N 413.452 0.763 30 20 HCED Cc1ncc2c(n1)CC[C@@H](NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)C2 550339334 QLOZJDBCWYCMIO-QGZVFWFLSA-N 405.462 0.374 30 20 HCED N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(C(N)=O)CCOCC1 550824281 DFJNBKHWJLAXSC-UHFFFAOYSA-N 402.270 0.881 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2c(F)cccc2F)c(=O)n1C1CC1 553695553 ATWROSUZADMIKF-UHFFFAOYSA-N 417.437 0.885 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)N(C)C)CC1(C)C 554016952 QRWXVHIXHZFNKG-CQSZACIVSA-N 421.523 0.829 30 20 HCED COCCO[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 555266781 FZZNNXIKJGQGSB-AWEZNQCLSA-N 415.425 1.476 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](CO)O2)n1 556593471 YJJAHQAAAUHKQV-KGLIPLIRSA-N 403.826 0.992 30 20 HCED CCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 558521336 MTEJYRVPBSRVED-UHFFFAOYSA-N 409.450 0.842 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1CCc1cccs1 560425976 UXMPDWNDZDNTOG-UHFFFAOYSA-N 413.528 0.505 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCCCC3)n(CC(N)=O)c2=O)nc1 569413307 ZKWZHOYQUCGGKC-UHFFFAOYSA-N 410.499 0.751 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)CC2 569465217 NGZNZMZZWCIOGL-MOPGFXCFSA-N 421.505 0.502 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)C[C@H](O)Cc1ccccc1 578628095 IDFWRURBEOSOJD-GOSISDBHSA-N 418.457 1.448 30 20 HCED N#Cc1ncn(CCNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3C2CC2)n1 580943450 IBTPMYCJVYSHNU-FQEVSTJZSA-N 405.418 0.407 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)NCCc2cscn2)CC1 585704551 QAQGMRLHNKWVFB-UHFFFAOYSA-N 400.464 0.888 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588866117 NQURUBWZZUHZRN-HBIPHATFSA-N 402.476 0.197 30 20 HCED Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(=O)N(C)C)c2=O)c1 604472875 SCZKTUVMBRXIQH-UHFFFAOYSA-N 424.526 0.397 30 20 HCED C=CCNC(=O)c1ccc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc1 605315293 AGTSPWPRUDIUIW-UHFFFAOYSA-N 409.512 0.451 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1n[nH]cc1C#N)n2C 610620547 NIOWBGBZQWIENU-UHFFFAOYSA-N 401.452 0.990 30 20 HCED Cc1cc(NC(=O)C(=O)NCC2(NS(C)(=O)=O)CCCCC2)nn1CCC#N 615069947 VCUMMZWBXZSIHJ-UHFFFAOYSA-N 410.500 0.412 30 20 HCED C[C@H]1CC(=O)NCCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615911773 SYAIHKUQYBYXRS-AWEZNQCLSA-N 411.462 0.945 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCN2CCCS2(=O)=O)cc1 620457462 CGVDJENYKJIRLY-UHFFFAOYSA-N 401.510 0.857 30 20 HCED C=CCCN(C)C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 670739661 RIFCOILIXFLWBH-UHFFFAOYSA-N 409.508 0.499 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 679119298 GFPVHOQTPXNUOJ-KRWDZBQOSA-N 411.480 0.179 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCC[C@@H]2CO1 725898124 UZSRPOISWVZDTL-HUUCEWRRSA-N 406.508 0.485 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](c3ccccc3F)C2)c1=O 727423403 GORTXOOAJIYMES-KRWDZBQOSA-N 402.426 0.714 30 20 HCED CS(=O)(=O)Nc1ccc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)cc1 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XNYBEYQPRPESMY-QGZVFWFLSA-N 415.538 0.801 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1 1835044803 BFNREBYIRKJSSD-HTAPYJJXSA-N 418.465 0.863 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](N)c4ccccn4)CCO3)C2)CCC1 1835704972 AOWPXSNTINSERJ-UTKZUKDTSA-N 413.478 0.232 30 20 HCED N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cn4ccnn4)CCO3)C2)cc1 1836212795 MZKIDOSFUQXEBN-NRFANRHFSA-N 424.461 0.114 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1837670228 AXWOSFGXGLZVFF-IIBYNOLFSA-N 405.495 0.161 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(Cl)nn3)CCO2)C1 1837833114 QZASDMOYGXECGB-KUHUBIRLSA-N 422.869 0.238 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccn(C(F)F)n3)CCO2)C1 1838039104 HSADRIPMUUXNAR-BDJLRTHQSA-N 404.439 0.667 30 20 HCED COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1838177883 IGHBULRMGAIVIW-KUHUBIRLSA-N 409.508 0.787 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)CN)C3)C2)c1 1838581796 QESPNHYGOBZCSB-VFNWGFHPSA-N 416.478 0.232 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1839222576 SAMHCIUEUCOCGL-LQWHRVPQSA-N 424.542 0.728 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1839452042 DCHNMGUUYDWGDK-QFIPXVFZSA-N 423.473 0.833 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OC)nn3)C2)C1 1839843129 RDRHXBRLYUHDBJ-YWZLYKJASA-N 404.467 0.767 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccn(C)n3)C2)C1 1839887936 SWHSFVQDNNLQCG-GOSISDBHSA-N 412.437 0.630 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCOCC3)C2)C1)C(F)(F)F 1839892516 QUPCBKGGOKTDGV-KRWDZBQOSA-N 406.401 0.988 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(F)c(F)c3)C2)C1 1840043173 HTTUHRXFWMAKNW-LJQANCHMSA-N 408.357 0.123 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(F)(F)Cl)CCO2)C1 1840285209 GRUWVTKOFVUVNC-LRDDRELGSA-N 410.845 0.848 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)[C@H]1SC(=N)NC1=O 1844314319 XFWVORUCEFAVAV-QKTPRWHFSA-N 417.491 0.704 30 20 HCED C#CCNC(=O)COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 7021544 AJLQYAQPAXKQQB-UHFFFAOYSA-N 403.254 0.606 30 20 HCED CC(C)(C)NC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15545155 JAJBLZBLBCWPJM-UHFFFAOYSA-N 407.496 0.489 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccccc1I 21825145 XGBXIRZVBRZEGO-SNVBAGLBSA-N 414.199 0.702 30 20 HCED CC(C)CN1CCO[C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 32268424 DVKMUSHDEPSACZ-QGZVFWFLSA-N 408.524 0.965 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443523429 SRGMCCNPLVCKCW-UHFFFAOYSA-N 415.313 0.715 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 444503038 SPMMEKBBTMWLMO-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)ccc2OC)c1=O 461345944 VEZTWPWRPGSORM-UHFFFAOYSA-N 405.451 0.343 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1 465199228 YYQYQWCCBKGORB-CQSZACIVSA-N 419.445 0.751 30 20 HCED CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465417614 PBAJJQLAJSARTP-CYBMUJFWSA-N 407.434 0.982 30 20 HCED Cc1cccc(C[C@@H](CO)NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 467344397 BOCQVTXNGROASG-IBGZPJMESA-N 418.457 1.165 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C 468845791 DRKLPKIKCMZZEK-SGTLLEGYSA-N 411.480 0.434 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 473699118 SURSEMRKASPKMJ-RBUKOAKNSA-N 411.506 0.753 30 20 HCED CN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)CC#N 475299847 RTOUKKUUIJAZAU-UHFFFAOYSA-N 414.871 0.671 30 20 HCED CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481205270 FJGSTZFYPVRTDS-CZUORRHYSA-N 424.548 0.899 30 20 HCED C[C@]1(c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)NC(=O)NC1=O 481320347 ZPQZWAOVACIUFX-OAQYLSRUSA-N 404.430 0.970 30 20 HCED CO[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1OC 488018542 STTIEUOFPBKDAQ-IAGOWNOFSA-N 415.450 0.800 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1=O 500486521 OGKBBEUFBTWNHX-IAGOWNOFSA-N 413.478 0.758 30 20 HCED C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500799286 KBIIEHIIMIKPKD-YJBOKZPZSA-N 407.492 0.979 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)C2=O)cc1 502295113 WBJLSMQQDLMCLW-RCCFBDPRSA-N 423.473 0.045 30 20 HCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 504127274 FGPMVLNYFGPLHS-QGZVFWFLSA-N 404.492 0.841 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)c1C 505192568 XGZMWSVAUNDDHG-UHFFFAOYSA-N 420.433 0.569 30 20 HCED CCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2c(C)cnn2C)c1=O 505684410 OUTUQFPNMKYMOZ-UHFFFAOYSA-N 408.487 0.899 30 20 HCED CCOc1ccc(C[C@@H](CNc2c(C#N)c(=O)n(C)c(=O)n2C)C(=O)OC)cc1 506767175 KXFNEPFYLCPNCA-AWEZNQCLSA-N 400.435 0.798 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 509412897 DQFICCYXTOZKRC-OAHLLOKOSA-N 400.526 0.613 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1C(F)(F)F 511454322 NYRLHXPMUBLYLA-NSHDSACASA-N 405.354 0.445 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCCCCn3ccnc3)C2=O)cc1 519195224 JOEOWQNURWYEET-SFHVURJKSA-N 408.462 0.963 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(C(N)=O)cc1 522537383 GQWQICXFYXOMMB-UHFFFAOYSA-N 422.441 0.386 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 530921747 LVFKYMMBVNFERT-UHFFFAOYSA-N 417.510 0.142 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(NC(=O)[C@H](C)n2cncn2)cc1 538166774 GLJJBGUBYJPJBR-KBPBESRZSA-N 400.439 0.717 30 20 HCED N#CCCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 542315024 BIAKAWAWPSLACZ-UHFFFAOYSA-N 405.430 0.845 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCCN3CCOCC3)CC2)cc1 550271874 ZRAPYWKIGIXZNN-UHFFFAOYSA-N 413.522 0.431 30 20 HCED CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 553355470 DMWOLBVFOUSSNF-OALUTQOASA-N 411.506 0.766 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCN(CC(=O)N(C)C)CC1 554105233 PZMMOLKSHIXEKX-UHFFFAOYSA-N 413.522 0.964 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)n1 557989256 ZGIULEXRRPXENV-UHFFFAOYSA-N 418.479 0.841 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 561474280 MXTPIMFFWLJDMU-UHFFFAOYSA-N 408.543 0.488 30 20 HCED COc1ccccc1[C@H](CO)NC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 564035766 YNHXUGMUBKSSBI-INIZCTEOSA-N 420.429 1.244 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c1 567654671 TZXONPMXPZQHMZ-OAHLLOKOSA-N 414.491 0.780 30 20 HCED CCN(C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 567784557 MYWIPITZNSMSOB-HKUYNNGSSA-N 411.506 0.970 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)n1 579292950 HTDWTXOJKCSRCL-UHFFFAOYSA-N 404.377 1.489 30 20 HCED COCC[C@](C)(C#N)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 580916972 OASCVODNZIFCJF-MRXNPFEDSA-N 401.510 0.746 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1 582093365 MFJGRBUZNZAUTK-UHFFFAOYSA-N 414.369 0.489 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F 583528103 DLRGBOXDCIZRAK-UHFFFAOYSA-N 422.446 0.249 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 585479629 VWYCTKYBAXITND-UHFFFAOYSA-N 414.491 0.696 30 20 HCED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C2 588036084 QXMWOICDGFGMKZ-ZDUSSCGKSA-N 412.450 0.383 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 589491152 ZXDGXBFVXHAXGC-FQEVSTJZSA-N 410.455 0.959 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCCN2C(=O)c3ccccc3C2=O)C1=O 599802044 CZQDGPPWVARFQD-UHFFFAOYSA-N 412.402 0.156 30 20 HCED N#CCN1CCC(NC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 609599030 ZHTJYPDHNSLRLJ-UHFFFAOYSA-N 404.559 0.998 30 20 HCED COC(=O)[C@H](COC(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 610838299 XRGGYLLKTRXEGG-BBRMVZONSA-N 411.480 0.650 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 611222439 QBASSTSCHLAYCF-UHFFFAOYSA-N 408.405 0.986 30 20 HCED COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CC[C@](F)(C#N)C3)nc(=O)c12 615643863 GHTPAUOZKUJZEV-KRWDZBQOSA-N 408.411 0.924 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3CCO)cc1 618601878 GVQHIHAQYXYXIJ-QGZVFWFLSA-N 411.462 0.924 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H](CC)c2cccc(S(N)(=O)=O)c2)CC1 729230765 NEHKLOHKVCEWQE-QGZVFWFLSA-N 406.508 0.956 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(C3CC3)c2Br)CC1 733149165 ABCZLMABOGVWHM-UHFFFAOYSA-N 408.300 0.947 30 20 HCED CCNC(=O)NC(=O)[C@@H](C)OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733829964 CJVRTSXZSBXYBM-BXUZGUMPSA-N 415.406 0.541 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1 742067554 LMDNKXUQQVEBFN-UHFFFAOYSA-N 417.897 0.767 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 742634327 NRTQHHJNGBTXRU-FQEVSTJZSA-N 402.470 0.093 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 743946198 GTASFLOBEAGBGB-UHFFFAOYSA-N 410.496 0.574 30 20 HCED COc1ccc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1S(N)(=O)=O 746554875 QBMMXGCVPQSSAI-UHFFFAOYSA-N 403.416 0.687 30 20 HCED COC[C@H](C)NC(=S)NN=Cc1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-] 755527318 VTIONFZUJPDAGH-VIFPVBQESA-N 400.413 0.900 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)c(C#N)c1C 756748210 JDPMDCLVMUMOBE-JTQLQIEISA-N 409.424 0.350 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(C)c2C)c1=O 758056860 XSNYTRFFLMKXPT-UHFFFAOYSA-N 407.495 0.522 30 20 HCED CC(C)[C@@H](OC(=O)C#Cc1ccc2c(c1)OCO2)C(=O)N[C@H]1CCS(=O)(=O)C1 761215454 QFBHKAWCGNTEKW-KBXCAEBGSA-N 407.444 0.638 30 20 HCED Cc1ccccc1-n1nccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 761966342 WIULFTIZSDIXHQ-ZCXUNETKSA-N 408.418 0.762 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)OC3CCN(CC#N)CC3)C2=O)cc1 770782481 AHEAHTBGVYWMJS-FQEVSTJZSA-N 400.435 0.993 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)CCOCC(F)(F)F)c1 771814117 LLGOCYISOMWMGX-UHFFFAOYSA-N 408.398 0.612 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3CC#N)CC2)C[C@H](C)O1 777300056 AVYPNEOXDWYGSR-IRXDYDNUSA-N 420.535 0.793 30 20 HCED 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CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1ccccn1)C2 1795598389 UKXFYZNNUWMRMB-XEMDLRDOSA-N 413.522 0.886 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(O)nc1O 1796347097 NBXNGIKVFOBPHR-FQLMCAECSA-N 402.451 0.859 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(OC)cn1)C2 1797710012 FISYBIWKWKUWCK-LTCOOKNTSA-N 403.479 0.867 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nc(O)n2c1CCCC2 1797981836 DASDPJSDWBVLLR-MPTYRVRUSA-N 416.478 0.167 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CCN1C(=O)C=CC1=O)C2 1798393621 XKDMJPYMZJQQHG-QKPAOTATSA-N 403.479 0.513 30 20 HCED Cc1cc(C(=O)NCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(C#N)c[nH]2)C3)no1 1798509490 DCZRCMGJQMEKEJ-QDMKHBRRSA-N 410.434 0.865 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 1800443445 LJFKNLCHHDEKJB-VASXEIHQSA-N 414.458 0.948 30 20 HCED 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0.404 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1 1822200638 OBBDBNNIFOUKAH-CQSZACIVSA-N 400.439 0.772 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)N4C[C@@H]5C[C@H]5C4)C3)C2)C1 1829669314 WFPGTAJITSLPCZ-FUOQNJDISA-N 403.523 0.749 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)NC(=O)CCC)C3)C2)C1 1829669482 ZYFCWZUXYCOUEP-IERDGZPVSA-N 407.511 0.714 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccoc3C)C2)C1 1829763890 FMYZWXNPNKJARO-NYPGBQQYSA-N 417.462 0.516 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C[C@H]1COc3ccccc3O1)CCO2 1831228710 HOZJENDXAQGAFK-HRAATJIYSA-N 415.446 0.587 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3CCN(C)CC3)C2)C1 1831388341 QQJOPDMIALNKKA-PGRDOPGGSA-N 421.538 0.213 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnc3C)C2)C1 1831392070 ZJQGAKAHNPNVQC-LAUBAEHRSA-N 401.463 0.498 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC([C@H]2CCCCN2C(=O)CNC(C)=O)CC1 1831393246 OEQPMMFCEHCTBH-JTHGQSKGSA-N 404.511 0.601 30 20 HCED C=C1CC(C(=O)NC2CCN(C3CCN(C(=O)CC[C@@H](N)C(N)=O)CC3)CC2)C1 1833048509 IAPSIBWJYBFNJX-GOSISDBHSA-N 405.543 0.117 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2ccns2)CCO3)c1 1833777462 LGYGKNFVMHBMHQ-GOSISDBHSA-N 401.448 0.727 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nnsc4C4CC4)C3)C2)CC1 1835342035 OGONESYYBKWIJT-IBGZPJMESA-N 417.491 0.789 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(N)s1)CCO2 1835840391 RSBJCXWJMLLWAS-LJQANCHMSA-N 424.523 0.778 30 20 HCED C[C@@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/C(=O)c3cccs3)CCO2)C1 1836520629 OQKPXIRHLCXVFY-FSEUQFBXSA-N 408.476 0.324 30 20 HCED C=CCOCCCC(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1836866217 MZTMSPJMQHEKKW-UHFFFAOYSA-N 410.515 0.636 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cn3cc(F)ccc3n1)CCO2 1836959312 LVAIIKLDHHWKEG-LJQANCHMSA-N 401.398 0.457 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1837314743 WGFIVDGFRHXXBL-NQIIRXRSSA-N 417.510 0.893 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3ccco3)C2)C1 1837392330 CWNZTJPZBARAIQ-IERDGZPVSA-N 420.462 0.492 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837882772 MRJFSFQUUMHIFO-QAPCUYQASA-N 408.543 0.790 30 20 HCED C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838409038 LISHTZVCCYOFRI-QPNANDPSSA-N 418.494 0.832 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C#N)c[nH]1)CCO2 1838734606 FKPMXKBPXKZBBN-YADGQWAMSA-N 416.434 0.076 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cccnc4)C3)C2)c1 1838736001 DLDLSRDREKAVLH-QFIPXVFZSA-N 423.473 0.984 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccccc4C(N)=O)CCO3)C2)CC1 1839350220 PJQQBCCCMLFMNZ-NRFANRHFSA-N 412.446 0.159 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1F)CCO2 1839788803 GXIMAFDYTYELGD-IBGZPJMESA-N 405.382 0.366 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccc(O)nn3)C2)C1 1839846039 HFHFSYHZNBMMHT-HRAATJIYSA-N 418.494 0.783 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3=COCCC3)CCO2)C1 1840214734 SAWVHWLTRYFJNS-NRFANRHFSA-N 420.510 0.419 30 20 HCED Cc1nnsc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840813775 VOTOFOYCTSUMEA-GOSISDBHSA-N 405.480 0.610 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(C)=O)C2)C1 1840912776 QPDNFKSAKRWBMV-MAODMQOUSA-N 423.510 0.932 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC(=O)N3C)C2)c(C#N)c1 1845238631 VVNZYBQQRNVXRL-SFHVURJKSA-N 410.474 0.934 30 20 HCED C#CC(=O)N1CCCC12CN(C(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C2 1845959179 OQQSUKSPYIWREV-MGPUTAFESA-N 405.495 0.831 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CCC(N)=O)C1 1845995607 HBLBNWNMXKIMIS-SPLOXXLWSA-N 420.510 0.925 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)NC=O)C2 1847071929 NWFCRNSQTQDBFY-CABCVRRESA-N 406.483 0.241 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C 11190328 XBBYEAOETWRYHM-LRDDRELGSA-N 400.457 0.556 30 20 HCED COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2cc(C#N)ccn2)CC1 105700789 ACXMLSQEIZGDRH-UHFFFAOYSA-N 401.448 0.714 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 303313143 GEPJBVGCEBTABN-RBUKOAKNSA-N 402.543 0.955 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 409481586 BBMKKVRZZALMQH-RTBURBONSA-N 410.540 0.566 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 410154307 MQOPHCGMRIFPEG-HIFRSBDPSA-N 418.516 0.905 30 20 HCED CCOC(=O)c1ncn(C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)c1N 429726906 VUKZMNRZLVPNRJ-UHFFFAOYSA-N 401.471 0.935 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCn3c(O)nnc3C2)cc1 440768972 AUVMFDWQTJTKKU-UHFFFAOYSA-N 410.434 0.779 30 20 HCED COc1ccc([C@@H](C#N)N2CCN(C(=O)Cn3cnnc3[S@](C)=O)CC2)cc1 444405740 SZNUPHMOWCYZGY-HJWYETAXSA-N 402.480 0.433 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 463523770 DWXROHQRKXSIHF-UHFFFAOYSA-N 418.479 0.338 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)Cn1cccc(C#N)c1=O 467211686 NDQWIORBFXLIGW-UHFFFAOYSA-N 400.460 0.950 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCCN(CC(=O)N3CCCC3)CC2)ccc1F 481052551 RIJBRKMVWGPWAE-UHFFFAOYSA-N 401.442 0.793 30 20 HCED CC(C)N1CCC(O)(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 483119380 MFHYLDYJAMPGBQ-HNNXBMFYSA-N 408.524 0.577 30 20 HCED CS(=O)(=O)N1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 485990027 MMAOSNRAHLUBQO-QGZVFWFLSA-N 404.492 0.447 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 486135655 IZXNVFSSXTVDMW-OAHLLOKOSA-N 424.523 0.792 30 20 HCED CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 486653767 SLTKYOUDQUEWAG-UHFFFAOYSA-N 415.541 0.626 30 20 HCED C=C(C)Cn1c(SCC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)nnc1-c1ccco1 490851487 DFVNZKWUMDLRLR-LBPRGKRZSA-N 416.463 0.969 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1cccc(N2CCCS2(=O)=O)c1 499333540 QNRNPFUXVHKFSR-UHFFFAOYSA-N 406.508 0.915 30 20 HCED N#Cc1nc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c1C#N 501748214 DNXQDWKNTKBLBH-UHFFFAOYSA-N 414.447 0.745 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(C)C 503413460 SRWPGSLTACBYGR-FQEVSTJZSA-N 421.586 0.871 30 20 HCED CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N(C)CC#N 504574400 CVXUGCFZNATEMF-KRWDZBQOSA-N 422.507 0.444 30 20 HCED COC(=O)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)c(Br)c1 511378633 BQDADVAWGUJERC-UHFFFAOYSA-N 414.241 0.677 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N=c3cc[nH]cc3C#N)c2)CC1 518534838 WETXVMSRLWPGIF-UHFFFAOYSA-N 413.459 0.480 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)cc2Cl)c1=O 532620159 YSXPVUNLASTKHC-UHFFFAOYSA-N 409.870 0.988 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)n(CCC#N)n1 533456122 UFJWGDJAJDDEEX-UHFFFAOYSA-N 410.434 0.734 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 539213020 DSCFIXVCLPDYMZ-CYBMUJFWSA-N 405.430 0.701 30 20 HCED CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CNc2ccc(C#N)cn2)CC1 549169961 DJAVZHRLEWWOOD-UHFFFAOYSA-N 401.439 0.883 30 20 HCED CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1 553431243 URYFGXXSCILOQS-UHFFFAOYSA-N 414.553 0.889 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 553532978 GQWCNSUWIMTICY-JTQLQIEISA-N 422.326 0.881 30 20 HCED CCN1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1=O 553804722 QWYXPBMFPGBAMJ-MRXNPFEDSA-N 415.469 0.863 30 20 HCED CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@]2(CCOC2)O1 555035339 IKSXNYRMMPMMRT-VBKZILBWSA-N 410.434 0.874 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@]1(N3CCOCC3)CCSC1)CC2 557053920 ODDOYZILZWGDTD-HXUWFJFHSA-N 400.504 0.771 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)C2=O)cc1 558057749 RUJCOVHAEKFYDB-UIFYRBHJSA-N 408.458 0.003 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)NCCCOC[C@@H]2CCCO2)CC1 559483199 QURASQZSHYDOIB-KRWDZBQOSA-N 401.467 0.304 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 559605103 FHZMYUWBWHDZIB-ZWKOTPCHSA-N 416.526 0.202 30 20 HCED COc1ccc(Cn2ncc3cc(C(=O)NCC(=O)NCC#N)cnc32)c(OC)c1 565296282 RTVBGLBKGCIUMH-UHFFFAOYSA-N 408.418 0.866 30 20 HCED C=CCOC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)OC 569655628 VCBZGHXPYZPUFP-QGZVFWFLSA-N 406.460 0.979 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC1([S@@](C)=O)CCC1 576670427 NKFQSFFJNUINSN-MUUNZHRXSA-N 404.536 0.866 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 577443604 UTMGYWPFXYJTEV-UHFFFAOYSA-N 420.516 0.899 30 20 HCED Cc1c(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cccc1-n1cnnn1 581839143 SFTHKXNGLVQPTN-HNNXBMFYSA-N 418.417 0.856 30 20 HCED N#Cc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(F)c1 587887026 BBGDCORTMHIVHX-SCFUHWHPSA-N 400.370 0.061 30 20 HCED COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 588640391 UPYNTUGTFOBEBT-QGZVFWFLSA-N 413.427 0.518 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 589882778 BFNGIIUNIMLEDL-UHFFFAOYSA-N 418.454 0.772 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 609077637 INMXVYDEQPGSHD-KRWDZBQOSA-N 406.508 0.177 30 20 HCED CC(C)[C@H](C#N)N1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 609485728 WCRGHWGNCFYOKV-IBGZPJMESA-N 421.567 0.549 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3c(C#N)nnc4ccccc34)CC2)C[C@@H](C)O1 610128846 LMGXTEPAIFKCJU-GASCZTMLSA-N 416.507 0.977 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)C1=O 623226480 DYXHIESLOFCZDR-HNNXBMFYSA-N 413.434 0.052 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)c1 725754867 ZNCXGNXTFWOJAF-UHFFFAOYSA-N 405.480 0.708 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(OCC#N)cc1 727679614 HYQNQAVPNGRLAE-UHFFFAOYSA-N 418.475 0.878 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCOC)c2=O)s1 731203503 KMUVXJBQLLJKTF-UHFFFAOYSA-N 403.529 0.962 30 20 HCED C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)OCCn2ncc(C#N)c2N)C1=O 731771298 ATHFWDKUIKJKBY-GOSISDBHSA-N 400.370 0.486 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 733150172 DHOCWYXNWWYLOI-SFHVURJKSA-N 400.454 0.462 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1 735000581 LALKDVKLXRJCHS-HKWRFOASSA-N 419.463 0.149 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC2(O)CCCC2)c1 737236017 IOSGWXAEABSPOK-CJLVFECKSA-N 422.507 0.859 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OC2CCCC2)nc1 737304801 BYSKMZKISYPQBM-ZCXUNETKSA-N 413.434 0.984 30 20 HCED Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)nc2c1c(=O)n(C)c(=O)n2C 738854590 HWCRYXJMOHMRBZ-LBPRGKRZSA-N 421.413 0.996 30 20 HCED COC(=O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 747207668 MMZCYSXDWGRWPQ-HMMYKYKNSA-N 420.451 0.516 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c1 748738370 ONEHIBCOBURVNP-MRXNPFEDSA-N 409.533 0.980 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](CO)C2)cc1 749664562 VTDDACVQXMQZHE-GICLCMKGSA-N 422.507 0.669 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCS2)CC1 750896717 UDFUTTFVKFVUIO-HNNXBMFYSA-N 423.516 0.830 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 751015782 KSFBGWZZFPMDBJ-UHFFFAOYSA-N 416.547 0.814 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCNS(=O)(=O)c2cccnc2)C1 756886580 OHVGQDPSWDJDFB-HIFRSBDPSA-N 423.495 0.625 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c1 757053330 POZDIVQEPYGLJM-ZBFHGGJFSA-N 413.521 0.046 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(C)c2)c1=O 758066707 BUADQVDWCOSGHC-UHFFFAOYSA-N 405.487 0.146 30 20 HCED Cc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)cnc1Cl 760376475 UXPVZJOTZPPKNG-UHFFFAOYSA-N 404.879 0.166 30 20 HCED COc1ccc(OC)c([C@H](O)CNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c1 768014923 CCQIHQCNQHMUOL-OAHLLOKOSA-N 401.423 0.911 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 768747401 MZHRPNCIMJSXLQ-UHFFFAOYSA-N 405.426 0.920 30 20 HCED N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 771684216 TYWDDNJAPJJYKR-UHFFFAOYSA-N 401.448 0.747 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCC[C@H](N2CCCCC2=O)C1)c1cc[nH]n1 772265203 FIFUIKXOUGVWLB-AWEZNQCLSA-N 405.455 0.697 30 20 HCED Cc1cc(C(=O)NCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1[N+](=O)[O-] 782689634 URVHOOIPANZSDV-VLGSPTGOSA-N 401.379 0.276 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CON=C(N)c2ccco2)CC1 789626969 JQOBFCMWUXMJEM-UHFFFAOYSA-N 411.440 0.054 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)Oc3ccc(C(=O)NCC(N)=O)cc3)CC2)o1 793159286 XEWXPHRBMFAWJR-UHFFFAOYSA-N 411.418 0.892 30 20 HCED COC[C@@]1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 796210369 BWFPLGVEIYQPSS-YOEHRIQHSA-N 418.516 0.461 30 20 HCED C=CCN1CC[C@@H](OC(=O)c2sccc2S(=O)(=O)N2CCOCC2)C1=O 798586311 KPCIZVRUAJDWRE-GFCCVEGCSA-N 400.478 0.713 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@H](C)C(=O)NCCF)C1=O 799863927 MBPUOBFJJFVHSB-ZYHUDNBSSA-N 411.459 0.632 30 20 HCED C#CCN=c1nc(N2CCC[C@@H]2CC(=O)OC)[nH]c(N2CCC[C@@H]2CC(=O)OC)n1 804562222 AFXUQNDGEUNKKF-HUUCEWRRSA-N 416.482 0.402 30 20 HCED Cc1ncc2c(n1)CCC[C@@H]2NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 806239231 DJYKKNVRQCCDDL-SFHVURJKSA-N 405.462 0.894 30 20 HCED COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCN(c2ccc(C#N)nc2)CC1 808062296 CWSMRNATHKFYGH-UHFFFAOYSA-N 401.448 0.714 30 20 HCED C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)C(=O)Nc1ncccc1O 808143452 XMRYMWPIPOJPDP-CAYLLJQQSA-N 401.423 0.783 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 810344463 UPRGOAYBJKXZBV-UHFFFAOYSA-N 405.808 0.757 30 20 HCED CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/CCc1ccccn1 813563215 HWPJAFDNYZMKBJ-XWYJEXBCSA-N 403.508 0.727 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)[C@@H](C)O)cc1 819551698 JCDVIWWCUBMEKQ-DYVFJYSZSA-N 421.475 0.458 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 849066008 PSFXKKWXBMWEHN-LJQANCHMSA-N 403.527 0.593 30 20 HCED CCOC(=O)c1sc(N)c(C(=O)OCC)c1Cn1c(=O)c(C#N)cn(CC)c1=O 915794635 GUIHNNKVIQMYGP-UHFFFAOYSA-N 420.447 0.947 30 20 HCED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 916897286 GBIIEYOTNZCJDX-GJZGRUSLSA-N 416.459 0.808 30 20 HCED N#Cc1cccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 917855834 DZYKUJNDIQOCEN-DLBZAZTESA-N 406.460 0.910 30 20 HCED Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2N=c2cc[nH]c(C#N)n2)c1 1052719011 XHSCHDBGMOHQCH-RXTOHJBHSA-N 405.462 0.334 30 20 HCED C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2C1 1055336807 JEYNTFVUAUQWNO-ZVSMAOMNSA-N 401.507 0.798 30 20 HCED Cc1ccc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1116767087 UCDYZHHXRWWPQU-GFCCVEGCSA-N 422.488 0.712 30 20 HCED CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1161029805 VWSNVNOAWTTXFO-AWEZNQCLSA-N 412.493 0.082 30 20 HCED CNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1299251654 MHJKVBPMYUPAKS-MRXNPFEDSA-N 416.507 0.824 30 20 HCED N#C[C@@H]1CN(c2nnc(C3CCC3)n2CCNS(=O)(=O)Cc2ccon2)CCO1 1303004514 QKKOTIUUXOLREF-OAHLLOKOSA-N 421.483 0.382 30 20 HCED C=CCNC(=O)Cc1noc(C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1 1326489337 PRMDTBQYCSIBFY-UHFFFAOYSA-N 408.484 0.525 30 20 HCED Cc1nc(SCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1C 1330161873 ZBOPKDYUIDLIRT-CYBMUJFWSA-N 411.505 0.817 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCOC2)C1 1505313075 YIJJGRNBDKUEJK-ROUUACIJSA-N 401.402 0.519 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1521057105 XCENZCHNBIJXOA-KBXCAEBGSA-N 424.502 0.923 30 20 HCED CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1547575777 VCIPFFASDSHLGC-PBHICJAKSA-N 414.507 0.896 30 20 HCED COc1ccc(C(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 1607172365 MSNNNJCHWYTKCS-UHFFFAOYSA-N 423.491 0.766 30 20 HCED COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1627986758 IMUNDGYZPPKGRM-UHFFFAOYSA-N 406.345 0.691 30 20 HCED C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCC1 1698319815 PTUCPOCVPAZVBQ-GMYLUUGSSA-N 406.512 0.544 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769370302 OIDQUJSGXGIGPW-HNNXBMFYSA-N 418.527 0.009 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(OC)nn3C)CCO2)C1 1778968927 ZNJGBYDWGZGBOK-MGPUTAFESA-N 406.483 0.445 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)CC)C2 1779329862 DQLLAKYHVQJRSP-PEOGOYOCSA-N 423.554 0.988 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780593851 IZEXBUFDEINZBE-ICTHTSFCSA-N 408.458 0.860 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CSC(=N)N)C2 1780801993 KFMRNJLIQOBHSQ-PMUMKWKESA-N 413.544 0.928 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](OC(C)=O)C(C)C)CCO2 1781270364 JBDGFOWHOSZCFF-WIYYLYMNSA-N 424.494 0.913 30 20 HCED CCOC(=O)c1ccc(C(=O)N2CC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1 1782040653 GENXUURKCZSHPN-OAQYLSRUSA-N 414.414 0.395 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@@]3(CN(C(=O)CNC(=O)N(C)C)CCO3)C2)c1 1782053115 SUXBMMUTRCBVCG-OAQYLSRUSA-N 413.478 0.581 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1782438984 QRADCEJFXFFHQT-VGOFRKELSA-N 416.522 0.925 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=S)NCC)C2)C1 1782638529 FLRGFCPHKSWUAG-QGZVFWFLSA-N 400.570 0.220 30 20 HCED C=C(C(=O)N1CC[C@]2(CN(C(=O)CNC(=O)C(F)(F)F)CCO2)C1)C(F)(F)F 1783208270 SJVNRDNXLPZINV-ZDUSSCGKSA-N 417.306 0.613 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3C(N)=O)C[C@@H]21 1784482134 CDRZMGQRLVWODG-LNMJFAINSA-N 413.474 0.417 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CN(C(=O)CC#N)CCO3)C2)cc1F 1785225729 PVQONEKXBAZNBR-SFHVURJKSA-N 409.439 0.586 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3csnn3)C[C@@H]21 1786858349 WYPWOKVAUDCMNG-YDHLFZDLSA-N 406.512 0.413 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc4ccccn4n3)[C@H]2C1 1787844761 QFQPQUZUTLUYBZ-DUPRYPCISA-N 410.474 0.966 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 1788816353 TVRWOTSTYLZYLD-OSFYFWSMSA-N 422.442 0.712 30 20 HCED 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CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476185699 BFOFBLWUTNIRSX-IAGOWNOFSA-N 404.492 0.589 30 20 HCED CNC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 480120975 TYGHZIFUQBVUSW-CYBMUJFWSA-N 400.460 0.901 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483446915 MQPUPAGFKBKMAG-GFCCVEGCSA-N 417.513 0.326 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2ncn3nccc3c2=O)cc1 487069853 WSLVILNAVBRTPK-UHFFFAOYSA-N 402.436 0.336 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCN(CCn4cncn4)CC3)C2)n1 487553159 BMPMZAZALGVVQZ-IBGZPJMESA-N 408.510 0.914 30 20 HCED CNC(=O)CN1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 497742933 CXIKIHHUUOEDRM-UHFFFAOYSA-N 406.508 0.704 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1CNC2=O 499461585 ZIUQQWLOTZCSEE-LBPRGKRZSA-N 405.418 0.267 30 20 HCED CCS(=O)(=O)NCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 503240879 LMMMBTZOTSKGRD-UHFFFAOYSA-N 422.467 0.577 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)s1 505082924 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HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CCO1 550384635 QNGXYXZHFTUTMJ-CYBMUJFWSA-N 404.224 1.324 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cnn(Cc2ccccc2)c1 551306552 MSYDQZJGMUVLIE-UHFFFAOYSA-N 420.477 0.816 30 20 HCED CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 554134123 OBLZIXTVTRNXBI-RDJZCZTQSA-N 412.494 0.365 30 20 HCED CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H](C)C1 561788929 ZUHUGPKZMRESBM-PBHICJAKSA-N 415.469 0.862 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)C1=O 563909416 HPIZCGBUASZUEZ-DLBZAZTESA-N 404.511 0.672 30 20 HCED N#Cc1ccc(N2CCc3n[nH]c(=N)cc3C2)nc1N1CCc2n[nH]c(=N)cc2C1 565577705 ALXGKTILLHBQAF-UHFFFAOYSA-N 400.450 0.484 30 20 HCED COc1ccc(CN2CC[C@@H](NC(=O)NCCn3cnc(C#N)n3)C2=O)c(OC)c1 566370594 QWADWSLAMRNGJI-OAHLLOKOSA-N 413.438 0.267 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 572559920 LFVWEHBDXOTCTB-CQSZACIVSA-N 406.464 0.532 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2C)c1 573411275 DXZPGNLIKXEZSE-UHFFFAOYSA-N 422.488 0.692 30 20 HCED C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1=CCN(C)CC1 575898829 GMXFAKLDCRMZKU-HNAYVOBHSA-N 409.490 0.936 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 578069955 XDYNXNIADGELTN-JKSUJKDBSA-N 408.480 0.926 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@@]2(CCO)CCOC2)n1 582807124 VPZOOKHPNDOUKD-LJQANCHMSA-N 417.853 1.241 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 588365267 KTDJSXNNMQUFSI-UHFFFAOYSA-N 420.429 0.954 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1CC(C)C 590912743 WVIYINZYLBAJFW-UHFFFAOYSA-N 406.533 0.596 30 20 HCED Cc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1 603885033 XHCRBFDGVWAMQS-UHFFFAOYSA-N 406.508 0.734 30 20 HCED CN(CCS(C)(=O)=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 728054262 URQHCZYBFJTNIH-UHFFFAOYSA-N 421.479 0.431 30 20 HCED C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)COC(=O)CSCC#N)C1=O 731706447 JVORSQQGMBMQJM-GOSISDBHSA-N 404.448 0.761 30 20 HCED N#C[C@@H](C(=O)CCCNc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 732910748 TYQULKYJXXBNAX-HNNXBMFYSA-N 408.436 0.753 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 734916478 FUKLCYZJYLRSAZ-UHFFFAOYSA-N 400.384 0.357 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)cc1 735002226 HBHBIVRTXMRXKS-HMMYKYKNSA-N 419.463 0.149 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCCO3)CC1 747820449 XBKTVQPKUPKMEV-UHFFFAOYSA-N 414.462 0.957 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 747980932 DJKKBBSMPJEPTP-UHFFFAOYSA-N 406.508 0.277 30 20 HCED C#CCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 752425647 LRBLTVRBENEOAU-UHFFFAOYSA-N 411.480 0.878 30 20 HCED C=CCN1C(=O)N(CCS(=O)(=O)N2CCOCC2)C(=O)[C@@H]1Cc1ccccc1 761208076 ZUQFEBZXWIMZDG-KRWDZBQOSA-N 407.492 0.710 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 766979921 LHGOZBOGCXKWMU-JTQLQIEISA-N 405.354 0.783 30 20 HCED Cn1cc(S(=O)(=O)NN=C(Cc2ccccc2[N+](=O)[O-])C2CC2)c(=O)n(C)c1=O 771888236 ALJOLSFQLMANOD-UHFFFAOYSA-N 421.435 0.279 30 20 HCED COCC[C@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(N)=O 775988978 RHKPLFLQNJIMRR-MYVXHDQYSA-N 411.484 0.511 30 20 HCED N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 776118443 OMPNHECMFRHVKX-ZDUSSCGKSA-N 417.484 0.976 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 782905358 INGCMIPFXOHKEA-HZPDHXFCSA-N 420.487 0.832 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1 783464646 RZRJFSHBRINYMG-UHFFFAOYSA-N 403.402 0.645 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCC1 785172085 DYXQSPRQHXJTGL-UHFFFAOYSA-N 403.435 0.644 30 20 HCED C[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 787559061 LZBQVGAQSAEHRY-LBPRGKRZSA-N 404.448 0.609 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 797378217 CYMZUGMPVGXWBC-RNODOKPDSA-N 404.394 0.814 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 799382705 RRSHEQCFXQHGPX-UHFFFAOYSA-N 411.452 0.143 30 20 HCED C=CCCCNC(=O)C(=O)NCCNc1ncnc2c1c(Br)nn2C 804850282 FXMLWCBZLVCBHN-UHFFFAOYSA-N 410.276 0.736 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)[C@H]1CCCO1 808814752 CYTQMHFEOONOGU-RCCFBDPRSA-N 415.446 0.222 30 20 HCED C#CCCS(=O)(=O)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 810783179 HUHBNDTXLDHDCW-UHFFFAOYSA-N 409.489 0.317 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)cc1 813026609 DGUIVADDFOHQBF-JJTVEENBSA-N 422.507 0.810 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)Cc1ccncc1Cl 819588422 FASAALFDEKPFQS-GFCCVEGCSA-N 422.894 0.741 30 20 HCED N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1c1ccccc1F 1205658057 TVYZZUTWPCAXQW-HSAPRAMBSA-N 400.454 0.917 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2nnc(O)cc2C1 1255166225 ZJVCHOSRSBXKDY-UHFFFAOYSA-N 401.448 0.586 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1302457077 KSQPZWYIGIRSCS-QGZVFWFLSA-N 416.507 0.382 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1313405637 QIUZLZCXHVFUJG-UHFFFAOYSA-N 401.485 0.459 30 20 HCED CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C#N)C1 1318361771 DQXNHDUUWTWGPK-LSDHHAIUSA-N 413.883 0.624 30 20 HCED CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1552418209 UOPMDBGHYDJDJT-ZLJFPDPSSA-N 406.509 0.099 30 20 HCED N#Cc1cn(CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(=O)nc1O 1584369426 MAACADRYBUTYEV-INIZCTEOSA-N 417.853 0.664 30 20 HCED CC(C)(C)c1nnc2n1CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1642028154 VRYZCPFXJBYACU-UHFFFAOYSA-N 402.480 0.657 30 20 HCED COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCC(=O)N1CCOCC1 1698061265 RUJCMMHRDCYPQT-UHFFFAOYSA-N 415.498 0.899 30 20 HCED CC[S@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747449067 GMQDTABYJWFBKD-HBIPHATFSA-N 407.544 0.361 30 20 HCED CS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1750205396 WPDXHMFLLWSJIX-XJKSGUPXSA-N 419.463 0.564 30 20 HCED CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC)CCOC1 1767483846 PNFACPXDIVKDSZ-YOEHRIQHSA-N 413.500 0.094 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc4c3NC(=O)C4=O)C2)C1 1778707084 HZIBUGOMHAUQCU-OAQYLSRUSA-N 410.430 0.815 30 20 HCED Cc1n[nH]c(C)c1C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779391903 ISEWBRMBPZIFBC-JLDPKJTDSA-N 402.499 0.942 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)o3)C2)C1 1779549699 OKAHRKKPHNNFOB-FQEVSTJZSA-N 406.435 0.725 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(CCN(C(=O)Cc4ccc5ncnn5c4)C3)C2)c1 1780951285 DPPKRHPCBYFMMM-OAQYLSRUSA-N 419.445 0.615 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1csc(N)n1)CCO2 1781267155 LOOZCCZVICAHIE-GOSISDBHSA-N 408.480 0.678 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(O)ccc3O)C2)C1 1782042927 NMEKJWBCSCRIGD-OAQYLSRUSA-N 416.478 0.823 30 20 HCED CC(=O)N/C(C)=C/C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1782624146 AOMXSFBJQUIYSG-JWIKTPOESA-N 417.506 0.555 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1783556033 NGEIWQGMXXJFMN-LJQANCHMSA-N 401.375 0.055 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1785380223 QNFOHYYPLUCQHX-JOCHJYFZSA-N 422.441 0.714 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](Cc3cccc(F)c3)NC(C)=O)C2)C1 1785458617 SBUCOEXXHIPLNX-GHTZIAJQSA-N 401.438 0.336 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1 1786857981 KLHKRQBHNVARKH-XSLAGTTESA-N 404.511 0.286 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)Nc3nccs3)[C@H]2C1 1787482699 NOOUIWOURVFFRT-QEOTZNIISA-N 420.535 0.962 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn4ccncc34)[C@H]2C1 1788032131 UYQWDXOFHQXHCJ-YEWFCNIMSA-N 413.478 0.914 30 20 HCED C=CCCC(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN(C)C(=O)C(=O)O)[C@H]2C1 1790634531 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Cn1c(=O)oc2cc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)ccc21 446530013 GLOYAMNQEBEYAP-UHFFFAOYSA-N 401.423 0.144 30 20 HCED COc1cc(C#N)ccc1OCCn1cnc2c(c(S(C)(=O)=O)nn2C)c1=O 447393132 DXUDYZSUBIIYHI-UHFFFAOYSA-N 403.420 0.493 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1ccccc1S(N)(=O)=O 460789792 BIEZFJMRSQZJNW-UHFFFAOYSA-N 418.460 0.896 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)CC2)c1C#N 461199550 PRTSRQYNFNCBCA-LBPRGKRZSA-N 423.524 0.072 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(c3nccnc3C#N)C[C@H]2C)c([N+](=O)[O-])c1 465058883 YWVNOQRKZDGCMU-GFCCVEGCSA-N 417.451 0.880 30 20 HCED COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 472162089 XUZLSICDICAFCZ-KRWDZBQOSA-N 413.478 0.949 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 474211619 DQMGOMNYJLTBSZ-UHFFFAOYSA-N 402.498 0.014 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)c1ccccc1 481119058 NUJGLRCCWJMQFF-AWEZNQCLSA-N 421.500 0.815 30 20 HCED Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)cc1 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0.824 30 20 HCED CCCN(C(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N)[C@@H]1CCS(=O)(=O)C1 536344106 RZHVTNFONQLWHX-UONOGXRCSA-N 410.544 0.542 30 20 HCED CS(=O)(=O)Nc1ccc(OCCNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 540301620 KAENXVWBXWCFCD-UHFFFAOYSA-N 416.459 0.855 30 20 HCED CC(C)(C)[C@@H](CCO)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 546930196 NIISMEBTEQWNNV-GOSISDBHSA-N 422.551 0.778 30 20 HCED CCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)[C@H](C)C1 553546897 AOFSGQFAXDCJIA-LLVKDONJSA-N 402.454 0.511 30 20 HCED C=CCNC(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 553864886 SMYHNOQBGGUEHD-UHFFFAOYSA-N 408.524 0.957 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccnc(N4CCCC4)c3)CC2)c1 555906278 IPROSVLCBUFQHD-UHFFFAOYSA-N 419.489 0.913 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)C2)c(F)c1 558040510 LIYMUWZITPMJNN-HRAATJIYSA-N 416.453 0.800 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H](C)[C@@H]3COc4ccccc43)CC2)c1C#N 558391121 IQESVLNUHUWJEI-KSSFIOAISA-N 422.489 0.930 30 20 HCED CC(C)(C)n1ncnc1CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 568673358 LOQHBZUBDQKSCA-MRXNPFEDSA-N 423.477 0.833 30 20 HCED CCOC(=O)Cc1nnc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)s1 576155312 HTDATEVNGRTVNI-UHFFFAOYSA-N 409.449 0.432 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)ccc1Br 578251446 ZNSCGMYZQVAQRM-UHFFFAOYSA-N 415.269 0.411 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](c4nc(O)n[nH]4)C3)CC2)o1 581690097 WFMNXPWIZOCOQX-CYBMUJFWSA-N 400.443 0.207 30 20 HCED CCC[C@@]1(CO)CCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 583106836 UNQYRCMHWBBDFK-GCJKJVERSA-N 412.490 0.929 30 20 HCED N#C[C@]1(F)CCN(C(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)C1 588640428 XCVRCYMPLUOKCW-LRDNONRASA-N 400.410 0.486 30 20 HCED CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 589875046 OGPLYBLXOJNVGV-INIZCTEOSA-N 406.512 0.597 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3cnn(C[C@H]4CCCO4)c3)C2)nc1 590272852 LKEWSTBSQSXUCX-IAGOWNOFSA-N 410.434 0.947 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCO[C@H](C#N)C1 609268752 ZZUUBOUJXRDBCH-DYVFJYSZSA-N 409.464 0.512 30 20 HCED Cn1ncc2c(=O)n(CC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4F)C3)cnc21 609461952 QMXRTFCUJJWIOM-CQSZACIVSA-N 409.425 0.926 30 20 HCED CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CCN2C1=O 610601537 UWUHLTDLCYYPLQ-INIZCTEOSA-N 418.475 0.873 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 615691125 WIIRRRDOOIBEAZ-UHFFFAOYSA-N 421.461 0.717 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 726282700 QAIAEJQCAYBLMG-OAQYLSRUSA-N 411.462 0.412 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cn1C 726642429 AZTOSGDEOHPBMA-UHFFFAOYSA-N 405.436 0.451 30 20 HCED O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCOCC1 728086004 IYWRSHVOEMSBCL-UHFFFAOYSA-N 409.464 0.344 30 20 HCED CNC(=O)CNC(=S)NN=C(C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 731926964 KHAXPRKHGLYFMB-UHFFFAOYSA-N 408.452 0.626 30 20 HCED CN1CCN(CCCN(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 732113895 APXHFXSNDZMIHE-UHFFFAOYSA-N 407.540 0.211 30 20 HCED CS(=O)(=O)CCS(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 742274699 SSKBDYXKBYXMSM-UHFFFAOYSA-N 411.509 0.223 30 20 HCED C#CCN(CC#CC)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 744410030 NGWCSUXCZOHFFM-UHFFFAOYSA-N 403.504 0.282 30 20 HCED COc1cc(OC)cc([C@H](O)CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)c1 746412561 WFNNOXHSMDXTKC-MRXNPFEDSA-N 401.423 0.911 30 20 HCED COc1cccc([C@H](C#N)NC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)c1OC 747865291 IYFWROMLEVBBJB-AWEZNQCLSA-N 423.429 0.953 30 20 HCED CN(C)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cl 749656907 SHINWHSVSMXSCF-NXVVXOECSA-N 405.842 0.987 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1CCSC 751830545 GRSVLOFZNIBLHU-UHFFFAOYSA-N 417.560 0.855 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)[C@H](O)C2)cc1 756113767 KMVNYMGXJUYYBE-UNHIOCTNSA-N 410.496 0.849 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCCO1 758090599 JOQWLEFZNJMJID-HNNXBMFYSA-N 400.504 0.941 30 20 HCED COC(=O)c1coc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 758124142 RLXQTSBJCZOPDZ-UHFFFAOYSA-N 407.452 0.843 30 20 HCED C#CCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758752506 BVYKTXPKIKWWJX-HOTGVXAUSA-N 403.483 0.916 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758776678 ZBYFHUNQJSIEFM-ZIAGYGMSSA-N 415.516 0.422 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 761023750 KLCBWEDRICCVMA-GOSISDBHSA-N 417.535 0.715 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1 761037319 OUCNVPBFWSNQII-UHFFFAOYSA-N 404.536 0.571 30 20 HCED C#CCN(CC)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 764515330 OUGIRZDBIDHFBZ-HNNXBMFYSA-N 420.940 0.903 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 766988347 LLURIDJJYWIGQJ-NSHDSACASA-N 420.447 0.625 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(O)(C(=O)O)CC1 767188186 QMASYQCQDRXLGN-AWEZNQCLSA-N 423.491 0.578 30 20 HCED Cn1cc(-c2cc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)on2)cn1 769067271 NXUVFIBCJTVJDM-UHFFFAOYSA-N 401.404 0.968 30 20 HCED COCCN1C(=O)c2ccc(C(=O)OC3CCN(CC#N)CC3)cc2S1(=O)=O 770787508 VZLFVTWCQVNPNB-UHFFFAOYSA-N 407.448 0.622 30 20 HCED COc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OCC(C)C 771890370 GKYHVLKETRWJQV-UHFFFAOYSA-N 424.479 0.440 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N(C)C2CCN(C)CC2)cc1 783347786 OIRFLLKVDJARRR-UHFFFAOYSA-N 422.551 0.873 30 20 HCED C[C@]1(C2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)NC(=O)NC1=O 785067159 PVKNGPFBLDPMOU-LJQANCHMSA-N 417.397 0.503 30 20 HCED C=C(Br)CNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 787184815 OGTTYUFJADAITI-UHFFFAOYSA-N 423.311 0.715 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 792387607 LDMLAZWTUCZTKV-ZDUSSCGKSA-N 409.464 0.326 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)Cc1cccnc1Cl 794332149 KXOMHIZLBUGIMO-UHFFFAOYSA-N 408.867 0.795 30 20 HCED COc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1[N+](=O)[O-] 801290094 UMNLTTSDYQKDBI-UHFFFAOYSA-N 424.417 0.949 30 20 HCED CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 813980468 FZQYCHOLMVNBMU-CYBMUJFWSA-N 410.452 0.784 30 20 HCED C[C@@H]1Oc2ccccc2N(CCC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1=O 813980907 KPUVRKQCDHINCT-LBPRGKRZSA-N 400.416 0.962 30 20 HCED N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 816129564 CIHGNECLGMUREO-CHWSQXEVSA-N 420.403 0.447 30 20 HCED COc1ccc(CCN2C[C@@H](C(=O)N[C@@H]3CCCN(O)C3=O)CC2=O)cc1OC 820476255 JSTRGSNWNDLENK-LSDHHAIUSA-N 405.451 0.591 30 20 HCED COc1ccc(N[C@H](C)C(=O)N(C)CCC#N)cc1S(=O)(=O)N1CCOCC1 836182526 DWLQCFVYGMGTPC-CQSZACIVSA-N 410.496 0.889 30 20 HCED N#CCSCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 915386262 GAHIJCJQCFPTDB-UHFFFAOYSA-N 422.488 0.191 30 20 HCED C#CCN(CC)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 920200302 GEFVUXAVASJBRQ-UHFFFAOYSA-N 413.883 0.781 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCn1cc(CO)nn1 1288097914 JOWQMSOHANESBM-UHFFFAOYSA-N 415.502 0.720 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)c(OC)c1 1315424297 SCWLAHPJEMZVRD-AWEZNQCLSA-N 400.439 0.779 30 20 HCED N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN2CCCS2(=O)=O)CCO1 1316539984 RZRBMYXMULPNPR-HUUCEWRRSA-N 410.500 0.284 30 20 HCED CS(=O)(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318037639 PWZFYXNDIZAOPF-NVXWUHKLSA-N 404.492 0.841 30 20 HCED CNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1554479648 QAXMYWUGYRIWRA-NSHDSACASA-N 408.260 0.901 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@](O)(CC#N)C2)cc1 1561691412 NKXSFBNULOJNNF-INIZCTEOSA-N 401.510 0.756 30 20 HCED COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619776041 ZBMDDJQEKXTUIZ-VPWXQRGCSA-N 404.515 0.746 30 20 HCED CC(C)OC(=O)CNC(=O)[C@H](C)SCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1641198899 RKWMFOQOTAVQAZ-HOTGVXAUSA-N 412.556 0.868 30 20 HCED COCCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1ccc(C#N)cc1 1644524993 JZZDNSNSQCRMNY-UHFFFAOYSA-N 408.524 0.547 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1712876632 RJSRBTXWTLKWSS-IRXDYDNUSA-N 406.443 0.332 30 20 HCED CCC[C@@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1727931019 MBXMOQMLLROEAA-CVEARBPZSA-N 417.514 0.682 30 20 HCED CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1729845528 ZVJWRNIRSVWYKE-AWEZNQCLSA-N 405.480 0.998 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CNCP(=O)(O)O)CCO2)C1 1778883523 SSEBUDFNOSAGLP-QAPCUYQASA-N 415.427 0.310 30 20 HCED Cc1noc(N)c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779105238 SDAJYBOFNJBXNR-JCBCYHQMSA-N 421.454 0.538 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1779251009 AVUONQKDADNTPR-AAOPIFSGSA-N 421.542 0.593 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779376073 UVMABRHZVWQEEJ-RZQQEMMASA-N 424.567 0.023 30 20 HCED O=C(C#CC1(O)CCCCC1)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1nc[nH]n1)C2 1779395454 ZWWFUCNOEZUECX-OXQOHEQNSA-N 415.494 0.631 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)c3ccncc3O)C2)C1 1779411001 KBRYVFAVTWOXPG-BOURKTIISA-N 401.467 0.702 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H]2[C@H]4COC[C@H]42)CCO3)c1 1780176394 UZLFJZJABPUTAP-MDPIYQRISA-N 411.458 0.903 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@]3(CN(C(=O)c4nc5ccc(F)cn5n4)CCO3)C2)c1 1780335844 MPYZKKRUCWJARZ-HXUWFJFHSA-N 423.408 0.825 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1n[nH]c(C)c1F)CCO2 1781265854 URWQEUMWKQRGJW-LJQANCHMSA-N 408.430 0.810 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1781400418 LQXJLFBNQGFWHF-OXJNMPFZSA-N 404.467 0.479 30 20 HCED Cc1cn(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](C)S)C2)c(=O)nc1O 1782185325 OYANODBQMFWRDP-PJIJBLCYSA-N 424.523 0.090 30 20 HCED N#Cc1ccc(CCC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H]4C=CCN4)C[C@@H]32)cc1 1783441482 VQKKMIKOWGOSEF-TUFLPTIASA-N 408.502 0.999 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)cc(Cl)n1)CCO2 1783567150 RFJCPGLECUDBRK-KRWDZBQOSA-N 412.229 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N#Cc1ccc2[nH]nc(C(=O)N3CCCC34CN(C(=O)CCn3ccnn3)C4)c2c1 1845582727 KNEBOAMVFNDTNB-UHFFFAOYSA-N 404.434 0.933 30 20 HCED O=C(O)C#CC(=O)N1CCCC12CN(C(=O)c1ccc(Br)nc1F)C2 1846195050 WQWTXVHTKUMKKJ-UHFFFAOYSA-N 410.199 0.888 30 20 HCED CN(C(=O)COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C1(C#N)CCCCC1 21856692 RXRLGPPLKRXEOA-UHFFFAOYSA-N 406.464 0.712 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)cn1 430221375 TWONEKIVQXVWKX-KRWDZBQOSA-N 409.450 0.401 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 430417722 MNLJYGANDNPYQK-LMMKCTJWSA-N 420.554 0.675 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)OC)c2)C1=O 440252636 GPSXHDLAQIZLOY-OAHLLOKOSA-N 417.418 0.444 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 441724453 DCTTUIKZMFPWBM-SJORKVTESA-N 402.499 1.158 30 20 HCED COC[C@@H](C)NC(=O)Cc1noc(-c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 445272947 MHOGOYWJXGAOCV-GFCCVEGCSA-N 407.452 0.541 30 20 HCED CS(=O)(=O)c1ccc(NCCNS(=O)(=O)CC2(C#N)CC2)c([N+](=O)[O-])c1 463354412 ZUVAXZAOANGYIV-UHFFFAOYSA-N 402.454 0.633 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 464853541 NHDXUMJAJSAWHK-CYBMUJFWSA-N 419.445 0.723 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2)c1=O 476150975 LZYLKSMYOWQFEO-UHFFFAOYSA-N 413.499 0.891 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)NCc1ccccn1 477788762 JQRBZTIZSKLVAY-AWEZNQCLSA-N 415.475 0.443 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 480680171 KLKKHFKVOLOAOK-OAHLLOKOSA-N 424.486 0.841 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)C[C@@H](C)C2)CC1 481015462 PCXBRTCQFWAPGY-QZTJIDSGSA-N 421.586 0.306 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCO[C@@H](CNC(C)=O)C2)c(C#N)cn1CCOC 481479273 KSMHHPLQJVBACE-HNNXBMFYSA-N 421.454 0.552 30 20 HCED Cn1c(=O)c2cc(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cnc2n(C)c1=O 486324542 SKXWANSYDWTUCY-UHFFFAOYSA-N 421.413 0.964 30 20 HCED N#Cc1c(F)cccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 488606117 JAKHXQAFVNVOOS-UHFFFAOYSA-N 417.466 0.974 30 20 HCED N#C[C@@H]1COCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 494438497 GHOJAXUXUMGLBO-SNVBAGLBSA-N 413.399 0.440 30 20 HCED C[C@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 506040838 FAORTXYQYALMOQ-RDJZCZTQSA-N 406.508 0.094 30 20 HCED COc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc(OC)c1Br 508309933 UVHGHZIBPNBPBD-UHFFFAOYSA-N 423.227 0.684 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)nn1CCC#N 508409945 FAIVGSBSQLEBPO-CQSZACIVSA-N 402.842 0.910 30 20 HCED Cc1nccn1CCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 508714113 UPPBMQHICWZTHL-IBGZPJMESA-N 422.489 0.877 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 510144850 HTZYYRHQRMFUNH-CYBMUJFWSA-N 401.510 0.162 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 511703424 QFGNRZYWCOYMOY-LLVKDONJSA-N 416.406 0.638 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)c1C#N 513586128 LPPWOCQEEQJJBN-USXIJHARSA-N 414.510 0.569 30 20 HCED C[C@H](CNC(=O)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)CN1CCN(C)CC1 514026726 KHTNPWIKAYXLPQ-JLHGSKIFSA-N 410.522 0.925 30 20 HCED Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1 517327358 HYIVPFVHGARQDA-HNNXBMFYSA-N 402.476 0.874 30 20 HCED C=CCN([C@H](C)c1cccc(-n2cnnn2)c1)S(=O)(=O)CCCS(C)(=O)=O 525386705 DQRDTKDZJUEUPR-CQSZACIVSA-N 413.525 0.976 30 20 HCED C=C[C@H](CC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1ccccc1 535359873 CBJYVLDWZPKMQZ-GOSISDBHSA-N 406.552 0.983 30 20 HCED COCCNS(=O)(=O)c1ccc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 536560751 KTCOOFPWYUDZTE-UHFFFAOYSA-N 420.495 0.493 30 20 HCED N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1CC(N)=O 541083076 XPIZWLUCRPNPHB-UHFFFAOYSA-N 418.456 0.237 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 545502008 UHIPDWNJOAFYKT-CQSZACIVSA-N 419.463 0.616 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CC)c2nnc3n2CCCCC3)C1=O 552981708 BLEIEBROOGAHBZ-CABCVRRESA-N 402.499 0.817 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)C2CCOCC2)n1 557987036 CUEXCHOKEUNFAF-HNNXBMFYSA-N 401.398 0.725 30 20 HCED CN(C)Cc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 559455961 RODSYAZAONLRDY-UHFFFAOYSA-N 406.490 0.980 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)Nc1ccn(CC(N)=O)n1 559846094 YUZVRDUUXQGVTP-UHFFFAOYSA-N 419.401 1.313 30 20 HCED CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 561787800 WPQNUUQOWHAGBG-BTYIYWSLSA-N 415.469 0.767 30 20 HCED CS(=O)(=O)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 568776118 NAEKSMZXASFQML-ZDUSSCGKSA-N 419.438 0.715 30 20 HCED C=CCSCCNC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 569206315 DTJCADLRMAWZGE-UHFFFAOYSA-N 405.524 0.435 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N(C)CCOCc2ccc(C#N)cc2)cn1 572521594 LPSBBTWZVYLGRG-UHFFFAOYSA-N 412.450 0.457 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCN3Cc4ccccc4C3)CC2)n1 585776277 XCXHGDSDUKDZSY-UHFFFAOYSA-N 404.474 0.734 30 20 HCED CN(CC(=O)NC[C@@H](O)COc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 603612791 CPIKFBQECAEUDR-MRXNPFEDSA-N 403.460 0.735 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCc3c2cnn3CCO)cc1 603902589 MBFHCSWHUCGTQT-KRWDZBQOSA-N 402.476 0.856 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)cc1 606095675 ZSDFVCGIRYECAZ-INIZCTEOSA-N 403.439 0.296 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccn(-c4ncccc4F)n3)CC2)n1 612848429 KZZSNERRTQRFGR-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C(=O)N(CCC#N)Cc2cccnc2)cc1 615041572 JOSSKFQOABIZSV-UHFFFAOYSA-N 401.448 0.871 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1 733148704 IFEFRFWQPOEBAT-UHFFFAOYSA-N 412.490 0.476 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3noc(CC)n3)cc2)CC1 734433630 GBPKYSGOXZTQLA-UHFFFAOYSA-N 411.462 0.718 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1 742290567 PHMRNFBXVZTDKM-UHFFFAOYSA-N 413.883 0.182 30 20 HCED C[C@H](CC(=O)NCCNc1ccc(C#N)cn1)/N=C1/NS(=O)(=O)c2ccccc21 742529449 AVDHAYAARNHYCG-CYBMUJFWSA-N 412.475 0.999 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 742630393 CNSFPLVUBVYGDX-UHFFFAOYSA-N 404.467 0.812 30 20 HCED CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 743443643 VPNMQBXQNPFJRG-ZDUSSCGKSA-N 406.464 0.992 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cc1Cl 744114360 PYLAPBLCVJOOCB-QHSBEEBCSA-N 423.834 0.179 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(C(=O)OC)c2F)CC1 749176580 DJAZPPKSAHOAIB-UHFFFAOYSA-N 400.403 0.902 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 760009484 YHRGUOKYDBMEGQ-LERLKVIMSA-N 423.495 0.654 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(OCCN(C)C)c2)cc1 762742115 OLGPXCIAIROHBB-UHFFFAOYSA-N 416.503 0.864 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCCNc1ncccc1C#N 771598693 YIVGZZAKNFMGLY-LBPRGKRZSA-N 417.447 0.374 30 20 HCED Cc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771898313 WSIAVGGXWUUNDQ-UHFFFAOYSA-N 402.436 0.095 30 20 HCED C=CCN(C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 775222903 PBYBZMIQCKUIQS-UHFFFAOYSA-N 409.508 0.747 30 20 HCED C#C[C@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 775386202 UWLZDPXPWQEBJS-GXFFZTMASA-N 405.398 0.756 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)C(=O)O 776587688 LSGSGVSGRGKHCZ-HNNXBMFYSA-N 403.478 0.645 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CCCC1 779315903 JBDJTFDXDFAGRF-OAHLLOKOSA-N 421.454 0.776 30 20 HCED C=C[C@](C)(CCOC)C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 782443605 NZJPCGGLNDAEPP-CRAIPNDOSA-N 402.513 0.090 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1)[C@H]1CCCO1 787497840 ASVAZVQPTOSNST-LEWJYISDSA-N 412.534 0.737 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)n2)CC1 793000192 CEHADLSUBCQFPP-UHFFFAOYSA-N 424.299 0.537 30 20 HCED C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccc(C#N)s2)c1=O 794646509 XVWGANLXUHEBAK-ZDUSSCGKSA-N 409.492 0.975 30 20 HCED CN(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2cccc(C#N)c2)cc1 796626923 WQGMUXSIXMQESQ-UHFFFAOYSA-N 407.473 0.856 30 20 HCED N#Cc1ccc(C(=O)O[C@H]2CO[C@@H]3[C@H](OC(=O)c4ccc(C#N)nc4)CO[C@H]23)cn1 798867061 NRCQWUBKVWPPNV-XMTFNYHQSA-N 406.354 0.769 30 20 HCED N#Cc1cc(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OC(F)(F)F 799594424 XZNBLAMAXYEURU-LLVKDONJSA-N 420.369 0.882 30 20 HCED C=C(Br)CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 804910477 YXUDZFQEEPGZHA-UHFFFAOYSA-N 405.270 0.610 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 805785692 IVOSPSNMVUWAOV-LJQANCHMSA-N 412.490 0.334 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCc1ccccn1 805962142 NPZKZHREEIEQKD-KBPBESRZSA-N 416.459 0.868 30 20 HCED CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)C(=O)Nc2cnn(CC#N)c2)s1 807424684 ACTNTRNEVBMNJY-ZJUUUORDSA-N 404.456 0.539 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)c1 808957685 HQQHFFSRBDHSIW-UHFFFAOYSA-N 417.443 0.610 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C#N 809502074 HGLCGVOSXBKAPQ-UHFFFAOYSA-N 404.430 0.799 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCOC 838165320 JYKXKVXHGINOHD-UHFFFAOYSA-N 416.459 0.494 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)c2nc3ccccc3n2C)n(C)c1=O 915100248 NJXPCDFQRBMOAZ-GFCCVEGCSA-N 405.418 0.587 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916892755 PEOUJZYEUYBZBO-KGLIPLIRSA-N 412.468 0.164 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2ccc(C#N)cn2)c2ccccc2O1 918263562 FZZQXDOZYRAJLK-INIZCTEOSA-N 409.402 0.449 30 20 HCED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2C[C@@H](C)CC(=O)N2)nn1 996967151 NRNZYTNLLINADV-GAGVYUBLSA-N 400.483 0.631 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1074654720 ZKSQHBMPEDVAHD-IZGRHMBUSA-N 404.507 0.861 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1116377240 HDEDLQPMPCLWOR-UHFFFAOYSA-N 417.462 0.439 30 20 HCED COCC#CCNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)n1 1130240542 UDWCNQSNVCINJF-ALYAQQCSSA-N 403.483 0.100 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ncnc(O)c3Br)CC2)c1C#N 1447787701 XBLPEPMPEGJNIP-UHFFFAOYSA-N 406.244 0.821 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)[C@@H]2C1 1468981106 PQSDUJNTOLNMSO-GXTWGEPZSA-N 403.439 0.678 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(S(C)(=O)=O)C1 1469017486 YOFPXTMAQZBAGK-CQSZACIVSA-N 413.521 0.395 30 20 HCED Cc1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1564889098 ZZWYIQBJPZARGX-UHFFFAOYSA-N 414.491 0.915 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1593887025 WLSIYAHYKMXUOX-JSGCOSHPSA-N 401.920 0.990 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(=O)nc1O 1636488567 KAVKVWYLIWNBBR-NSHDSACASA-N 419.800 0.925 30 20 HCED N#Cc1cn(CC(=O)N[C@H](CCO)c2ccccc2Br)c(=O)nc1O 1638379925 KHGGUVCFULQKSY-CYBMUJFWSA-N 407.224 0.823 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)c(=O)nc1O 1641030739 XACQPZRYHIRLLR-AWEZNQCLSA-N 413.409 0.628 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(CCC(=O)Nc2cccc(C#N)c2)CC1 1654452449 UBYJPKATTSZZDN-UHFFFAOYSA-N 413.525 0.477 30 20 HCED CC(C)OCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692619397 LSGSMVWJXSWZQB-RDJZCZTQSA-N 422.555 0.782 30 20 HCED COc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1712029729 RORXWTJMMRBLDJ-YVEFUNNKSA-N 423.474 0.782 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cnc2s1 1777989379 FLNIUKVJYLIICD-LJQANCHMSA-N 415.475 0.812 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc(C)c(C)[nH]c3=O)CCO2)C1 1778968012 OUKJXOKNEBORTJ-BTYIYWSLSA-N 418.494 0.403 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1779107440 VCHWQEKTFXMEGO-KTFKWIISSA-N 419.482 0.701 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(CCN(C(=O)C/N=C/c4ccco4)C3)C2)nn1C 1779134734 NQNBNKSBCMDWNC-XZEIMLRBSA-N 413.478 0.813 30 20 HCED 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N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCO2 1838050585 RWEKDFSCIUKQNS-NRFANRHFSA-N 424.461 0.845 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cnsn4)C3)C2)c1 1838906454 JTFVNSLMWHJFEO-LJQANCHMSA-N 413.459 0.794 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccn3nccc13)CCO2 1839538221 ZRGOTWLJMAZQAV-JOCHJYFZSA-N 408.458 0.818 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1839760013 XIHFJVFMJHRXJW-HXUWFJFHSA-N 404.463 0.200 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCC4)C2)C1 1839808846 FHYBHDWUFKAVOE-HXUWFJFHSA-N 415.402 0.233 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C)nn3C)C2)C1)C(F)(F)F 1839892221 ZSMPMIJKEUZYSI-QGZVFWFLSA-N 416.400 0.917 30 20 HCED Cc1ccccc1CCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1839942703 FDFHSSCEGPZDAC-JOCHJYFZSA-N 414.458 0.472 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(F)(F)Cl)CCO2 1840283020 FMSVEGZCXPKPOL-MJSXRHKHSA-N 421.828 0.133 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CCn4cncn4)CCO3)C2)c1 1840358732 VIPMRUUQQKLHMN-OAQYLSRUSA-N 424.461 0.310 30 20 HCED CN(C)C(=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169146 UQXWYXXOTBFOOH-UHFFFAOYSA-N 409.368 0.877 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1845823737 KYTPSCLLKNDGLY-CQSZACIVSA-N 404.423 0.551 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC(C)=O)C1 1846007053 BLRARDJXRGPDSO-HOCLYGCPSA-N 420.510 0.631 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCC(=O)N1 1847940133 PHOQMESAWBDQKN-FZKCQIBNSA-N 420.510 0.936 30 20 HCED N#Cc1c(NC(=O)CCN2CCN(C(=O)C(=O)NC3CC3)CC2)sc2c1CCC2 52991136 NXOLWCHQQJLSLG-UHFFFAOYSA-N 415.519 0.860 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 304931829 DGZNKECNVXFWSQ-CAOSSQGBSA-N 417.510 0.661 30 20 HCED CN1CCO[C@H]([C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)c2ccc(Cl)cc2)C1 409475624 IUYKOJWVRYARNY-IXDOHACOSA-N 414.915 0.770 30 20 HCED COCCn1c(NC(=O)Cn2cnc(C#N)n2)c(NCc2ccccc2)c(O)nc1=O 426429425 YROKXQPXLLYSDU-UHFFFAOYSA-N 424.421 0.309 30 20 HCED CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 434972334 GJGOOTFFMOWNAS-UHFFFAOYSA-N 424.435 0.546 30 20 HCED COCCN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 435004609 KMNYEWRCORSGKI-AWEZNQCLSA-N 410.496 0.715 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N(C[C@H](C)C#N)C2CC2)cc(S(C)(=O)=O)c1 441946320 IMCOUTVUCWZYOQ-LLVKDONJSA-N 407.448 0.966 30 20 HCED COCc1nc([C@@H]2COCCN2C(=O)C(=O)Nc2cc(C#N)ccc2OC)no1 442445336 QTEWEJIWJDEKEW-ZDUSSCGKSA-N 401.379 0.635 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H](O)[C@H]1C(=O)OC 444738799 STZXNNYIJVBMKW-AEFFLSMTSA-N 406.483 0.950 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCO[C@H](C(=O)OC)C2)c(C#N)cn1CCOC 460125419 QNXRETYACCASDT-ZDUSSCGKSA-N 408.411 0.589 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)no1 462454046 GBBIKKAPBSADIH-UHFFFAOYSA-N 423.882 1.453 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CC1 463092998 KXZGEULTOAVIJH-PSBWJHGTSA-N 412.421 0.508 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1 480973935 VYEIHKVHEKIXOQ-FMTVUPSXSA-N 419.463 0.872 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 482753238 ORCIBGGWBGNUFC-UNEWFSDZSA-N 409.508 0.869 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2nc(N)ns2)CC1 482859367 NNLAMVZGJTWCID-NSHDSACASA-N 421.508 0.008 30 20 HCED C=CCN(C)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 490060155 ILFAMZHGIFWUAX-UHFFFAOYSA-N 411.462 0.699 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 490220424 BFMPKYCOHAPOHT-UHFFFAOYSA-N 414.462 0.993 30 20 HCED Cn1cc([C@H](CNC(=O)c2ccc(C#N)nc2)NC(=O)c2ccc(C#N)nc2)cn1 505447450 IMSLULGVNONTTQ-SFHVURJKSA-N 400.402 0.855 30 20 HCED COCCn1c(N)c(N(Cc2ccccc2)C(=O)CSCC#N)c(O)nc1=O 508346557 WVDIMAJAIOZRDH-UHFFFAOYSA-N 403.464 0.967 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 508829522 ZIHPXLOSKIOMDA-LBPRGKRZSA-N 410.479 0.330 30 20 HCED C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508879931 IXYYIILBFOUSDO-AWEZNQCLSA-N 410.434 0.049 30 20 HCED C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)[C@@H](C(C)C)C1 508885590 RGYCTGPITZRMNF-CVEARBPZSA-N 412.560 0.573 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 509972175 NALINICTVLLACX-HNNXBMFYSA-N 400.526 0.862 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)CCN1CCN(Cc2ccccc2)CC1 510408108 BDMZCHOFELTFNG-UHFFFAOYSA-N 423.583 0.843 30 20 HCED COC(=O)[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1C(=O)OC 511355708 SEFHONFUEKCEQO-DOTOQJQBSA-N 422.459 0.426 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCC[C@H]2C(=O)N2CCOCC2)CC1 512467636 DVOXLTQDTHIVOD-OALUTQOASA-N 405.543 0.392 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)OC)C1=O 520732586 MOAUVULCGHRJRM-OAHLLOKOSA-N 401.419 0.420 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 523182303 FMLJYUZCNSMLIR-UHFFFAOYSA-N 417.494 0.724 30 20 HCED CCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(CCOCC)c2=O)c1 523745123 PTFYSCRWERAUNI-UHFFFAOYSA-N 415.515 0.984 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCCNc2ccc(C(F)(F)F)cn2)C1=O 524706659 CQYPXDOUQAMOMJ-UHFFFAOYSA-N 413.356 0.995 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 532501127 IUKKDTILOPENIR-IPELMVKDSA-N 420.535 0.985 30 20 HCED C[C@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)S(C)(=O)=O 534353517 NPTMUUBQBKXSOL-CYBMUJFWSA-N 404.496 0.991 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)n(Cc2ccco2)c1C 534954465 CMVLICOYOXONBV-INIZCTEOSA-N 410.434 0.792 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccc2)CC1 535924264 PKFQEAQZKPAKSW-UHFFFAOYSA-N 410.478 0.316 30 20 HCED CCCNC(=O)CN1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 538071906 KBHLJPONDHFDEO-UHFFFAOYSA-N 417.514 0.555 30 20 HCED C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 543929998 DAEIBBSJBXWOKW-LLVKDONJSA-N 407.427 0.761 30 20 HCED C=CCn1c(Cc2noc(-c3ccc4nnc(O)n4c3)n2)nnc1N1CCOCC1 544244877 OHFRNSWEGWWQBR-UHFFFAOYSA-N 409.410 0.690 30 20 HCED Cc1nnc([C@@H](C)NCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 544515837 PNCNEAXWLWRQAA-CYBMUJFWSA-N 418.479 0.433 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@@H]1C 554306244 UCNJVWWFAZZGHQ-INIZCTEOSA-N 403.479 0.963 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCC(=O)N1CCN(c3ccccc3)CC1)CC2 555771955 LTJAEAVBIJXPEQ-UHFFFAOYSA-N 417.469 0.912 30 20 HCED CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 562223191 IPXSBSKGRTXREQ-SZMVWBNQSA-N 404.492 0.600 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)nc1 564556097 IUEUJRZZHHVQPH-HNNXBMFYSA-N 412.537 0.521 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCO[C@@H](CC(C)C)C3)CC2)c1C#N 571319237 RRFARLJVJQXKNB-SJORKVTESA-N 416.526 0.959 30 20 HCED C[C@H](O)[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 574776309 SMWUHUXHHNTVMV-FUHWJXTLSA-N 420.535 0.484 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2cccc(F)c2)c1 574849156 JWKRPFCRZZFMFZ-UHFFFAOYSA-N 418.450 0.912 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCCC[C@H]3N3CCOCC3)CC2)o1 584330238 FTQABZMXTDLOPK-PKOBYXMFSA-N 416.526 0.736 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4ccccn4)C3)CC2)c1C#N 588765414 LMCMNZAGYWOQOX-MRXNPFEDSA-N 422.493 0.039 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)n1 588781491 SJMZFLGFDKAMGO-GOSISDBHSA-N 424.505 0.509 30 20 HCED Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 588825548 ZHSRPNWRCQMZIX-KRWDZBQOSA-N 421.505 0.984 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@H](N4CCCC4)C3)C2=O)cc1 588869166 FXCWPMSPDGPHIO-PMACEKPBSA-N 423.517 0.862 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 589414915 WQOPEUFUBCYBSK-INIZCTEOSA-N 405.524 0.121 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c1 589799149 FABKZDSVBGYVAZ-UHFFFAOYSA-N 416.478 0.775 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC[C@](O)(C(F)(F)F)C1 590277847 DWEJZGLROXRKJC-YVEFUNNKSA-N 422.367 1.348 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCCNC3=O)CC2)cc1 590333756 YBCOIFHEMDVDBF-INIZCTEOSA-N 404.492 0.601 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2csc(C)n2)c1=O 590903494 GBNNPXISXOWOIP-UHFFFAOYSA-N 418.544 0.883 30 20 HCED N#Cc1c(CCCNC(=O)CN2CCCS2(=O)=O)nn(-c2ccc(F)cc2)c1N 603875688 FJDDNNPLCIGRHD-UHFFFAOYSA-N 420.470 0.550 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)cc1 609199898 WFZBLMUGKBXMEZ-HXUWFJFHSA-N 412.538 0.973 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)NC[C@@H](C)C#N)c(=O)n2Cc1ccccc1 609524248 ZPIWISCMBDPANK-HNNXBMFYSA-N 424.461 0.330 30 20 HCED COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC[C@@](F)(C#N)C1 615608404 RHFBCXYLZQUYNI-RDTXWAMCSA-N 411.455 0.692 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 615627866 ISVFZQXUUAOEBL-FQEVSTJZSA-N 414.441 0.543 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H](O)C3)ccc21 615911800 ZBIWCGFRZJTXFR-IYBDPMFKSA-N 400.435 0.162 30 20 HCED CC(=O)N1CCC(NC(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)CC1 725792339 IDAPPZNSCMSDSW-UHFFFAOYSA-N 417.510 0.283 30 20 HCED CC(C)[C@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 727009823 AITYKVQWWYZBNM-WBVHZDCISA-N 421.475 0.159 30 20 HCED CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 731673177 CKYZDGVTEACYHV-UHFFFAOYSA-N 405.929 0.999 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](N(C)Cc3ccccc3)C2)c1=O 743378677 XZOYHTHTBHRSNM-IBGZPJMESA-N 411.506 0.708 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](O)C2)c1 746814488 VDFNIAQXLVHYLR-OTUOZYHDSA-N 422.507 0.811 30 20 HCED Cn1c(=O)c2cc(C(=O)O[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)cnc2n(C)c1=O 746941816 IDNPBELFCKXJCN-MRXNPFEDSA-N 419.397 0.466 30 20 HCED Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 757155546 BQQZKYYGZKNKPR-GFCCVEGCSA-N 420.477 0.820 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2OC)CC1 761037850 LPZBNDBCIOXPJW-UHFFFAOYSA-N 400.888 0.372 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccn(C)c3)c2=O)cn1 763460514 LURZHYUNUCGJRU-UHFFFAOYSA-N 421.482 0.423 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(CC)c(S(C)(=O)=O)c2)CC1 765783085 OZXIMHYJGSSEEA-UHFFFAOYSA-N 405.520 0.550 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NC1CCN(C(=O)CCOC)CC1 768743767 ASQXHILELLFGRR-UHFFFAOYSA-N 405.426 0.920 30 20 HCED COCCN(CC(=O)O)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 769458908 CCQRWSQBHMOZMY-AWEZNQCLSA-N 411.480 0.699 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 781530459 VQRFPWPSSLGUQZ-BQASMSSTSA-N 424.523 0.613 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 782987185 KDIGPYPTIMLACD-UHFFFAOYSA-N 401.915 0.623 30 20 HCED Cc1c(NC(=O)C(=O)NCCNc2ncccc2C#N)cccc1N1CCNC1=O 787473775 NOPHZNRBRBAFCY-UHFFFAOYSA-N 407.434 0.958 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)n1 789788081 FFZVUNIQOMKMJE-UHFFFAOYSA-N 422.449 0.414 30 20 HCED C=CCN1CC[C@H](OC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)C1=O 798602389 VEIUVJYLBBIQAB-AWEZNQCLSA-N 408.432 0.421 30 20 HCED CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 810365005 CMSVLOJDAGVJNO-NXVVXOECSA-N 401.379 0.738 30 20 HCED C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812431652 OIMNTARITTVYEO-CVEARBPZSA-N 423.539 0.612 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812440218 DVCCGUDSXNEGKC-DLBZAZTESA-N 418.523 0.874 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCNC(=O)OC(C)(C)C)CC2)o1 915381112 NVBGZUYCNMWBEH-UHFFFAOYSA-N 421.454 0.961 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)c1 918617085 PTYBMJPZGVNFKI-NONDHBLVSA-N 407.452 0.426 30 20 HCED C#CCN1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 1006330486 ZXXWMVSQXPMTGZ-ZRSRNVLSSA-N 400.523 0.481 30 20 HCED CN1CCN(C(=O)CN(C)C(=O)COc2ccc(C#N)c(Br)c2)CC1 1149759290 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0.848 30 20 HCED Cn1nc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cc1O 1833404393 OPUVFWLSZJYQLS-JOCHJYFZSA-N 424.457 0.247 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834587592 STJYAIGITDXSQU-UWJYYQICSA-N 419.478 0.430 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)C1 1835123680 RKGCPKJVRQAKOF-KKSFZXQISA-N 407.511 0.714 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cccn5nccc45)C3)C2)CC1 1835346774 RNZRJNLMJMXCNZ-NRFANRHFSA-N 409.446 0.708 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cc(F)ccn3)C2)C1 1835354955 LXDRXSCHWMHUNR-HXUWFJFHSA-N 404.442 0.913 30 20 HCED O=C(C#CC1CC1)N1CCC(OC2CCN(C(=O)[C@H]3CCCS3(=O)=O)CC2)CC1 1836825328 AQMSAZGXIFMYQA-LJQANCHMSA-N 422.547 0.976 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CCC)CCO2 1837678869 BZSLJLDBZGCXOT-GCJKJVERSA-N 421.538 0.941 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)C[C@H](NC)C(=O)O)CC2)CC1 1837886700 SFQVAGGCBDUTBW-SFHVURJKSA-N 407.511 0.851 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCO2 1838017682 NNBOZTWMOLDGBC-QFIPXVFZSA-N 408.458 0.635 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4[C@H]5SC=C[C@H]54)C3)C2)c1 1838740826 WZAQJOLELUZGPV-DZIWXPPMSA-N 414.487 0.831 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCN3C)C2)C1 1839222578 SAMHCIUEUCOCGL-OPYAIIAOSA-N 424.542 0.728 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H](CC)NC(=O)OC(C)(C)C)C2)C1 1839809814 MUMBLIJZXYVZFU-IERDGZPVSA-N 423.510 0.769 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1839838386 HADSUZBEUZTTIN-XKQJLSEDSA-N 408.417 0.968 30 20 HCED COC(=O)C12CC(C(=O)N3CCO[C@]4(COCCN(C(=O)CCC#N)C4)C3)(C1)C2 1840004998 AOZPPOVAVAUOPM-MHJFOBGBSA-N 405.451 0.090 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc4ccccc34)C2)C1 1840042647 GNCVQHJGLXBCAA-HSZRJFAPSA-N 422.437 0.998 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(CN(C(=O)/C=C/c4cnc[nH]4)CCO3)C2)c1 1840343430 GKOQHFNTWHTJSV-IUINOXSKSA-N 410.434 0.393 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840356762 BXCCQBOKTKOJCY-WMZOPIPTSA-N 411.528 0.079 30 20 HCED CCCNC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812258 HVTARDUUIIBGRX-OAQYLSRUSA-N 420.510 0.443 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)C1 1840841305 OZIJICNSQADMQK-JOCHJYFZSA-N 414.458 0.828 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC)C2)C1 1840906614 GICZVHHDYZCRGT-HRAATJIYSA-N 423.510 0.769 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CC[C@@H]2O)C1 1841031539 PGNFPCXBOQVUCZ-YWZLYKJASA-N 405.495 0.831 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1ccccc1-n1nccn1)C2 1841055520 BFMDEEHHIWJGBT-HJWRWDBZSA-N 420.473 0.943 30 20 HCED CN[C@@H](CC(=O)N1CCCC12CN(C(=O)c1cc(C#N)cc(OC)c1)C2)C(=O)O 1842951761 CYCCHVUAICCGMI-INIZCTEOSA-N 400.435 0.447 30 20 HCED CC(C)N(CC(N)=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 25945450 VLAGXTCAQCGWFE-UHFFFAOYSA-N 400.439 0.651 30 20 HCED N#CCCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 27349623 MGTUSEGFGKWXNA-UHFFFAOYSA-N 415.313 0.785 30 20 HCED C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCN(c2cc(C#N)ccn2)CC1 29447071 ACHWNDXODZEQOY-CQSZACIVSA-N 414.491 0.750 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)c1 45335527 RDFRTCMARDWYMF-UHFFFAOYSA-N 401.510 0.258 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(C)nn2CCC#N)c1 109345784 BPNLYUCTIXIHIK-UHFFFAOYSA-N 420.495 0.936 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(Cc4cscn4)CC3)CC2)o1 115842220 GIEUURIWFWJGKE-UHFFFAOYSA-N 415.523 0.778 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CCO1 409572220 SRBIQRHISNWHQF-GFCCVEGCSA-N 406.295 0.980 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCNC(=O)c2ccc(Br)cc2)CCO1 409597205 SHLDBXKVQRYEOK-CYBMUJFWSA-N 417.285 0.238 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)C1=O 410113075 MYZCHLVXYGRWNO-HZPDHXFCSA-N 423.539 0.673 30 20 HCED COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1 435311815 VODIAQVAHYRGIJ-JKSUJKDBSA-N 406.483 0.926 30 20 HCED C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 442515931 XFKQDYAYBBDFKT-CHWSQXEVSA-N 401.398 0.820 30 20 HCED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCNC1=O 443249747 MZDYOIDQEDQJLP-AWEZNQCLSA-N 400.826 1.073 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 448487712 KUGIHDLJOHSFFT-UHFFFAOYSA-N 423.521 0.989 30 20 HCED Cn1cc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)cn1 460600404 VKHHSGUVWAPMAC-UHFFFAOYSA-N 419.449 0.155 30 20 HCED C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)CN1CCN(C)CC1 464907251 FQFORKOIJGWPFU-IRXDYDNUSA-N 400.531 0.452 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3nc(COC)nn3C2)cc1 467716582 TWMBNMXRSOTUIX-AWEZNQCLSA-N 405.480 0.634 30 20 HCED CNC(=O)N[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 468728348 XZDVRDTXSSOVPA-MRXNPFEDSA-N 419.507 0.489 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 474207567 ALLUGHZHADRFQY-UHFFFAOYSA-N 401.510 0.619 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCCS(C)(=O)=O 477287679 SLXDNSRJLVQWQI-CYBMUJFWSA-N 401.510 0.556 30 20 HCED CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 480973240 UGDMYUURTFKFEO-CQSZACIVSA-N 407.496 0.658 30 20 HCED COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CC1 482557283 KEJJRHYLDCGBQC-NSHDSACASA-N 414.512 0.832 30 20 HCED CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 485125834 FOBXTNQUBVOALK-SFHVURJKSA-N 412.471 0.883 30 20 HCED CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 489588123 GBMAVIPUYIPTGZ-RDJZCZTQSA-N 420.539 0.980 30 20 HCED C[C@@]1(c2cccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)NC(=O)NC1=O 495060502 RBHNKZCZZBFJRT-NRFANRHFSA-N 404.430 0.970 30 20 HCED C[C@H](Cc1ccncc1)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 506871467 KJXXPEKAIKVAQY-BEFAXECRSA-N 405.458 0.918 30 20 HCED Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508169925 XIVAGCTUCPVWPP-OAHLLOKOSA-N 402.480 0.702 30 20 HCED Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 510628004 KEWODKRKCYWRAS-INIZCTEOSA-N 411.466 0.780 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(Cl)ccc2C(=O)OC)CC1 513255755 PPZIPVCIIOADIL-UHFFFAOYSA-N 422.869 0.512 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2-n2cnnn2)CC1 514376176 UZELLRZPWVMUCG-UHFFFAOYSA-N 423.458 0.681 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)c(F)c2)c1=O 514478509 APAZQFIPPXZKOS-UHFFFAOYSA-N 407.442 0.864 30 20 HCED C=CCCOCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 533837563 HMIIEIKDAASRMH-SFHVURJKSA-N 417.462 0.348 30 20 HCED COCc1nn(CC(=O)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)c(=O)o1 538529619 UUIAMTHHQHVMNB-INIZCTEOSA-N 401.423 0.400 30 20 HCED COc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 543034252 GPONAIXPQUBQJK-UHFFFAOYSA-N 402.436 0.895 30 20 HCED CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 544871173 AWYBKTXHVQHWGJ-UHFFFAOYSA-N 406.446 0.909 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@@H](CN3CCOCC3)C2)n1 555030953 WHAITMVMQXXQSA-HNNXBMFYSA-N 409.450 0.258 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCO1 558564808 QRCITZQVDNVLTQ-MRXNPFEDSA-N 408.480 0.045 30 20 HCED C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 559760439 XNIBEZMXWRUSJE-LPHOPBHVSA-N 411.506 0.623 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 560053157 RRUQJMGFARRDTH-UHFFFAOYSA-N 410.434 0.661 30 20 HCED C[S@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 571629966 YUEMTOFRJQDYSQ-BCOMRZATSA-N 416.503 0.587 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1CC(N)=O 574305803 WHQZZQFKYLOORU-UHFFFAOYSA-N 424.935 0.529 30 20 HCED CNCCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1C#N 578373165 YJFRACWDPPRXCE-UHFFFAOYSA-N 404.496 0.967 30 20 HCED Cc1cc(C)nc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 580264167 RIAATGJKLBDTNF-UHFFFAOYSA-N 414.491 0.592 30 20 HCED C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 582576864 DOGLJYNXLXZDER-APWZRJJASA-N 419.551 0.321 30 20 HCED C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O)c1cccc(C#N)c1 587674075 LISUUUVVUAQUEW-PBHICJAKSA-N 408.462 0.776 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C1CC1 592993738 XSUHBVNOXPKEAE-UHFFFAOYSA-N 410.434 0.214 30 20 HCED N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)nc1 608981881 SNKYPRNWVXEQJP-UHFFFAOYSA-N 421.504 0.548 30 20 HCED N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 609268177 MRWYPSFUNZCXFW-UKRRQHHQSA-N 408.436 0.746 30 20 HCED CC(C)[C@@H](C#N)N1CCN(CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CC1 609485293 MQWLYOKWIAVITE-HNAYVOBHSA-N 419.551 0.777 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 725763429 KXVZEUYAIVRZAM-UHFFFAOYSA-N 410.434 0.693 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)C1=O 726043212 SMHHJRMOQSLJRF-NSHDSACASA-N 419.390 0.509 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3cccc(F)c3)C2)c1=O 727424985 FQAPLILNIFLGOS-QGZVFWFLSA-N 402.426 0.714 30 20 HCED CCOc1ccc(N(CCC#N)C(=O)COC(=O)Cn2ccc(O)nc2=O)cc1 729827571 KBQGZKLTCMUJST-UHFFFAOYSA-N 400.391 0.838 30 20 HCED Cc1nc(CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cs1 732467741 XOXZDFKOWPVZLU-WUKNDPDISA-N 404.496 0.805 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(Cc2cccnc2)CC1 734236135 SMHKOLOABIMLCG-UHFFFAOYSA-N 413.503 0.901 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)c(N3CCNC3=O)c2)CC1 742067524 LBURAPNFOBCNDM-UHFFFAOYSA-N 413.478 0.122 30 20 HCED CCN(C)S(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 744239621 URQPNDAPVNGDAO-UHFFFAOYSA-N 414.509 0.272 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 749968075 FWBLRSNJNNZDCL-INIZCTEOSA-N 405.480 0.294 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(=O)N(CC(F)(F)F)C1 754462247 VYLYXARIDCKEDT-UHFFFAOYSA-N 418.397 0.696 30 20 HCED COCCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 754749032 WCRDDGJKHQVPAK-VLGSPTGOSA-N 419.525 0.904 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2OC(F)F)c(=O)n1CCOC 756848683 LSKRDPHTRIYAPZ-UHFFFAOYSA-N 423.441 0.715 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758078806 AZGHGDVYYJKCFB-UHFFFAOYSA-N 419.510 0.320 30 20 HCED C[C@@H](CNC(=O)c1cccnc1)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 766398380 QNLLRXITXPKAOE-UONOGXRCSA-N 416.459 0.982 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3cnn(C=C)c3)c2=O)c1 772300857 JBXDDQUIGSUSHO-UHFFFAOYSA-N 401.451 0.426 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2scnc2C2CC2)c1=O 782600453 IGZRQUJNURAVDX-UHFFFAOYSA-N 418.544 0.918 30 20 HCED CCOC(=O)CN(C)C(=O)COC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 782749598 NARFZBYEPBCBRE-UHFFFAOYSA-N 401.423 0.715 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 783544893 IEBZGDNCHTYAJL-UHFFFAOYSA-N 400.522 0.248 30 20 HCED C#CCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 790966740 UUDUJEIRQJIOIF-UHFFFAOYSA-N 404.492 0.618 30 20 HCED C#Cc1cccc(NC(=O)CNS(=O)(=O)c2c(C)nn(CCN(C)C)c2C)c1 795074707 YZKGBTZCJLBTPZ-UHFFFAOYSA-N 403.508 0.960 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCn2cnc(C#N)n2)C1=O 795183234 HQCJJDDLRYDBQN-RJHYDAJSSA-N 412.479 0.224 30 20 HCED C#CCN1CCN(C(=O)CN(Cc2cncs2)C2CCN(C(C)=O)CC2)CC1 795576064 ATXQURBQJYDEGZ-UHFFFAOYSA-N 403.552 0.733 30 20 HCED C#CCN1CCN(C(=O)CN2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 796611364 DPBMIHVDYJNLLA-LJQANCHMSA-N 419.570 0.391 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1C 798742519 OYQSYDLHDGLAEJ-LLVKDONJSA-N 406.424 0.109 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 799288319 YFKQVRAYVLPBBO-ZDUSSCGKSA-N 413.471 0.732 30 20 HCED COc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)c(OC)c1 800606623 ANQMCGSWNJGSJO-MSUUIHNZSA-N 402.407 0.593 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)CC1 805062518 GQLZAJKKZXKEBJ-JKSUJKDBSA-N 406.508 0.503 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)O[C@@H](C)C(=O)NCCN3CCOCC3)CC2)o1 805969276 XDPMKQJGPPKUGB-AWEZNQCLSA-N 419.482 0.451 30 20 HCED 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C=CCOCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](N)[C@H](C)CC)CCO2 1835590182 XOMLMGWAZXMBQJ-QFUCXCTJSA-N 411.543 0.799 30 20 HCED CC(C)N[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)S)C2)C1)C(C)C 1835901841 WNKASAMAICDTBX-BXWFABGCSA-N 401.573 0.784 30 20 HCED C=CC[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CN(CCO)CCO)CC2)CC1 1836535711 ADNITRSBRJCNJB-SFHVURJKSA-N 424.586 0.057 30 20 HCED C#CCCCC(=O)N1CCC(OC2CCN(C(=O)CC[C@H](N)C(N)=O)CC2)CC1 1837883726 PHFJYNPXXOIFFC-SFHVURJKSA-N 406.527 0.381 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc4n(n3)CCC4)CC2)CC1 1838341911 UOQNQBODDRDCNG-UHFFFAOYSA-N 414.462 0.530 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C(C)C)[nH]n3)CCO2)C1 1838694191 SIOKFUNHMVXYKQ-IERDGZPVSA-N 418.494 0.641 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)c1 1838907251 HJJDZVAPHLMHMA-JOCHJYFZSA-N 422.441 0.575 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](O)C(C)C)C3)C2)c1 1839450888 LXRRVYCLIXVHOG-KNQAVFIVSA-N 415.490 0.954 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549353 BMABXSWDDQRBSV-OAQYLSRUSA-N 411.462 0.954 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc3nccn13)CCO2 1839549897 UZWXELIFEXXTSB-QFIPXVFZSA-N 408.458 0.818 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc4cccnn4c3)CCO2)C1 1839562313 VRKMAGRUQZYLJX-AUUYWEPGSA-N 404.492 0.723 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1839640250 WPHYEMRQUYIDAQ-LAUBAEHRSA-N 423.558 0.065 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1)C(F)(F)F 1839893933 YTWVKHMBGAMSSU-MRXNPFEDSA-N 402.373 0.907 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)Cc1ccccc1)CCO2 1839961178 XFRQBYHVLQZRCM-NFBKMPQASA-N 414.502 0.850 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(Cl)ncn3)C2)C1 1840161786 ASODTKPISADIIS-MEDUHNTESA-N 400.888 0.518 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)nn1C(F)F 1840162105 MJJGOPBJUMANFU-SJCJKPOMSA-N 418.466 0.975 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4cccnn4n3)C2)C1 1840162202 OPVAPHZYIGRIMQ-SCLBCKFNSA-N 405.480 0.118 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1840292244 FFIJOHIAYLRORU-GLCJEOIMSA-N 406.479 0.756 30 20 HCED C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840452206 IOOWTPMJSZONOU-IERDGZPVSA-N 414.462 0.609 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H]2CCOC2)CCO3)c1 1840538469 IPOUHXYEWOULAW-HRAATJIYSA-N 417.437 0.804 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC)NC(=O)OC(C)(C)C)CCO2 1840804829 BRPMJFQQDTXNPV-MGPUTAFESA-N 409.483 0.379 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H]2C[C@@H](O)C2)C1 1843845767 MIDSTTWMAQLNNC-OWCLPIDISA-N 405.495 0.877 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)ON=C(C)C)C1 1845251824 QCHPLZASSQDVLJ-ZIAGYGMSSA-N 402.517 0.319 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)c2cnc3c(c2)NC(=O)CS3)C1 1845670457 NPVVJIBOTGRBCN-UHFFFAOYSA-N 400.416 0.031 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C1 1846560772 CHFFHXPLBAWYQH-SJORKVTESA-N 417.510 0.233 30 20 HCED O=C(COC(=O)Cn1cccn1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 11118201 CPEVALRPDIIOQI-UHFFFAOYSA-N 405.436 0.536 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 50170764 PNHCYEJVWOHOBK-UHFFFAOYSA-N 413.478 0.518 30 20 HCED N#Cc1ccnc(N2CCN(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)c1 51877540 DBGIJYUEWNRNNC-UHFFFAOYSA-N 410.522 0.936 30 20 HCED CCc1nc(CN(C(C)=O)[C@H]2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)C2)no1 409481338 AXJFDWYGSBYTNI-HIFRSBDPSA-N 412.516 0.781 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO 409494491 PDXLWHUPWOZDQQ-RTBURBONSA-N 410.540 0.566 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 427310852 XONCPKFDVDLVKP-UHFFFAOYSA-N 412.471 0.428 30 20 HCED COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]1 431675672 YYHSLWFMVJJEPQ-UHFFFAOYSA-N 402.432 0.820 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1cc(C#N)ccc1OC 442313550 WRRPKSMTFIOCSL-XOUADPBQSA-N 415.402 0.457 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(S(C)(=O)=O)nc1 464888677 CFIWBBDQVTYDNE-LBPRGKRZSA-N 401.452 0.889 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c1 465484884 WOHNNQTZEHHVEG-GOEBONIOSA-N 415.537 0.599 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)NC[C@@H]3COc4ccccc4O3)CC2)c1C#N 472153430 JAUSWWRAQIFHFN-MRXNPFEDSA-N 410.478 0.678 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 475851498 PCTPJFRMNOUKDT-UHFFFAOYSA-N 400.418 0.731 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)N2CCCN(c3ccccc3C#N)CC2)n(C)c1=O 478895920 DANAKWATNHGMHF-UHFFFAOYSA-N 421.461 0.044 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1 481018953 SJQICVKLPVXDOT-CHWSQXEVSA-N 414.509 0.775 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481506775 JWCUUFYCSOGWRQ-OAHLLOKOSA-N 406.508 0.942 30 20 HCED COc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C)c1=O 484615880 HCZGLRLRPFXPDY-UHFFFAOYSA-N 401.513 0.534 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 484720043 KHNLURBGJLQLKA-IRXDYDNUSA-N 420.535 0.947 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](COCC2CC2)C1 485554038 YOHXRFIXJMZGOM-WMLDXEAASA-N 407.492 0.879 30 20 HCED Cc1cnccc1CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485961331 JHFXQOQMYSLHBN-LJQANCHMSA-N 405.458 0.838 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(=O)CC)ccc2C)CC1 491227019 YWGKQDYOMBCWSS-UHFFFAOYSA-N 415.494 0.728 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C1=O 497779454 BKZUZBACKWHZSD-UHFFFAOYSA-N 411.443 0.690 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)nc1 502215295 PLCLQGZZJBTREV-UHFFFAOYSA-N 424.552 0.163 30 20 HCED COc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1NC(=O)C1CCCCC1 508959450 JEJWKOXPHGIPGD-UHFFFAOYSA-N 415.450 0.908 30 20 HCED CN(C)C(=O)N1CCN(c2ccc(C#N)c(N3CCN(C(=O)N(C)C)CC3)n2)CC1 515118914 WABPAODUZLLHED-UHFFFAOYSA-N 414.514 0.560 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC)n(-c2cc(C)ccc2C)c1=O 533120452 TVAUWICVMZIWEO-UHFFFAOYSA-N 407.499 0.981 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 533380398 KUNQLUAUHXURSA-HOTGVXAUSA-N 412.899 0.238 30 20 HCED Cc1cnc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 534696626 PQSVGKVCOFJMPA-UHFFFAOYSA-N 414.491 0.915 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n2)c(F)c1 542988350 CDZUCXIWPZYFLK-DTTOXWODSA-N 409.377 0.984 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 547417589 SSQFGVMISOKUJZ-MGBSGCIJSA-N 408.414 0.429 30 20 HCED N#Cc1cc(Br)cc(S(=O)(=O)NCCN2C[C@@H](C(=O)O)CC2=O)c1 548224251 VWFYKMWCHQVNSF-JTQLQIEISA-N 416.253 0.532 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2cccnn2)CC1)C(C)C 551219312 VCSDPTHKJWEWNG-GOSISDBHSA-N 400.527 0.940 30 20 HCED Cc1ccoc1C(=O)NCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 555045412 AEYISTZMKVDFRP-UHFFFAOYSA-N 404.448 0.674 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3ccn(CC(F)F)n3)CC2)c1C#N 569078131 LJDOAJLFITVQNI-UHFFFAOYSA-N 409.422 1.072 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)cc1 569652368 ARDWLQCTUCUGBM-UHFFFAOYSA-N 416.463 1.180 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccn(C3CCCC3)n2)CC1 573641331 ACMVSNPIRJEZAF-UHFFFAOYSA-N 402.499 0.061 30 20 HCED COc1ccc(CCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1OC 579264002 RCJHQWNMEAPBBS-UHFFFAOYSA-N 414.466 0.631 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 583600378 LKKODMGSUMHJOO-GOSISDBHSA-N 420.477 1.110 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N(CCCO)Cc3ccccn3)CC2)nc1 587648152 RVVGUTRNVHAUQI-UHFFFAOYSA-N 422.489 0.844 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CC1 588127316 BZURAOXKZNYLIV-LJQANCHMSA-N 415.563 0.824 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604137055 DKCHZEGBPZSDQJ-UHFFFAOYSA-N 403.420 0.349 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(=O)N(C)C)c2=O)s1 604270016 MNOYBWWWJMGELS-UHFFFAOYSA-N 418.544 0.396 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(=O)N(C)C 604270084 PAPRMEAJDIJFPT-UHFFFAOYSA-N 416.478 0.165 30 20 HCED Cc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(CC(N)=O)c1=O 608911934 WHNPYXWMCNVQGV-UHFFFAOYSA-N 418.478 0.845 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOC[C@H]3CCCO3)CC2)cc1 609679870 MMSUALMCKMQOOE-QGZVFWFLSA-N 422.507 0.770 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 612038065 YDGWIXBTGGNWSM-UHFFFAOYSA-N 404.835 0.790 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 670232349 FRCPGTRGKIXHPT-HZPDHXFCSA-N 412.560 0.765 30 20 HCED COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(CC#N)CC(=O)OC)c1 741157512 WDSZSADKBBOFMG-AATRIKPKSA-N 412.420 0.577 30 20 HCED COCCn1cc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cn1 743427192 KOJREVUYHUVBPC-UHFFFAOYSA-N 407.500 0.307 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 743915302 GTSIZYCXHJKJFA-UHFFFAOYSA-N 412.421 0.989 30 20 HCED COc1ccccc1C(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746122719 XHXWNKSQNWYVEZ-FMQUCBEESA-N 412.446 0.896 30 20 HCED Cn1cc(C[C@@H]2CC(=O)N(CN3CCN(c4oc(C5CC5)nc4C#N)CC3)C2=O)cn1 746374333 LGRJAMMSYWPGNN-MRXNPFEDSA-N 423.477 0.854 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(CC[S@](C)=O)CC1 746471263 ZEPLFDFFOSCEMB-LJAQVGFWSA-N 423.583 0.948 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 746944175 YEDCTAWZERLTKG-NSPYISDASA-N 401.423 0.232 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 747818013 DGQGJXUSTXXAIY-UHFFFAOYSA-N 409.494 0.987 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)CC1 747880401 MCULCJQDXOVNFV-UHFFFAOYSA-N 419.503 0.546 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(-n3cncn3)c(F)c2)c(=O)n1C[C@H]1CCOC1 749856102 BEGMOWMWVSWCCB-CQSZACIVSA-N 422.445 0.693 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3C(=O)CSC3=O)C2=O)cc1 753113879 YBOWSPJUTGHRKA-CQSZACIVSA-N 401.448 0.654 30 20 HCED CC(C)N(CCS(C)(=O)=O)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 753253817 QLIVKBPSAGEEPE-CYBMUJFWSA-N 401.510 0.507 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](Cc1ccccc1)C(N)=O 754844698 FWSYJWQHOOKOAN-SUMWQHHRSA-N 401.444 0.865 30 20 HCED Cn1ccnc(N2CCN(C(=O)C(=O)Nc3ccc(F)cc3OCC#N)CC2)c1=O 761152095 ZNDTVRANELLRHO-UHFFFAOYSA-N 414.397 0.109 30 20 HCED Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 762248544 PHIIZTAZIPSOEN-UHFFFAOYSA-N 418.479 0.170 30 20 HCED CC(C)S(=O)(=O)CCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767677845 BNEXZGNBHYEBAA-ZDUSSCGKSA-N 402.494 0.982 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(F)c(F)cc2F)c(=O)n1CCOC 767881414 VSTBADFIJOCLTC-UHFFFAOYSA-N 423.416 0.779 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C(F)(F)F)c1 771891273 LDJSUSGMTZBHHJ-UHFFFAOYSA-N 404.370 0.805 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)cc1 772296699 QZXPKKNYNSIIGO-UHFFFAOYSA-N 406.508 0.864 30 20 HCED C[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCN1S(C)(=O)=O 776297506 QPCQOPHMSSIKKJ-SCLBCKFNSA-N 405.480 0.248 30 20 HCED CS(=O)(=O)NCCc1ccc(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 782570976 BLVMEHRQGONXPQ-UHFFFAOYSA-N 415.431 0.755 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 784825755 YFQCJWGRGKYWAW-QGZVFWFLSA-N 418.469 0.299 30 20 HCED COc1ccc(CNC(=O)[C@@H](C#N)C(=O)c2nnn(Cc3noc(C)n3)c2C)cc1 786320059 XFRTUNIRECMHPB-HNNXBMFYSA-N 409.406 0.974 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)Cc1nnnn1-c1ccc(OC(F)F)cc1 790614353 QOFSYLHXWGTRCS-UHFFFAOYSA-N 413.366 0.721 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 799287016 MRZATQDWXGOZLI-GBPUDXIESA-N 420.491 0.328 30 20 HCED CC(C)[C@H](CO)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 807452422 SYUDGNMCYGVNKX-KTNMXJNISA-N 424.523 0.819 30 20 HCED C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1)C(C)(C)C 807878836 FOORCERZXWOFST-HOTGVXAUSA-N 414.549 0.932 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1C#N 809501750 RMTMRGDWJIIMBG-MAUKXSAKSA-N 411.462 0.889 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2cncc(C#N)c2)cc1 810056667 ABHFTIILJGGHOL-UHFFFAOYSA-N 423.472 0.520 30 20 HCED C[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C)S1(=O)=O 813136538 DLDIAEZCEZONOB-AAVRWANBSA-N 400.501 0.962 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)c1 915266326 JPDDMQXRLNVQJW-MRXNPFEDSA-N 420.535 0.271 30 20 HCED CCc1ccc(NC(=O)[C@@H](C#N)C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 916913173 NDIBNFHDDFKTND-HNNXBMFYSA-N 422.445 0.734 30 20 HCED COCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918607774 BXPXLXMAAUZUHJ-SDXDJHTJSA-N 417.509 0.499 30 20 HCED C#CCNC(=O)[C@@H](C)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1105717631 VLKLJXYZTLTJLG-IBSXHGQTSA-N 401.507 0.240 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CS(=O)(=O)C3)CC2)cc1 1116193058 JITCEDWIPCFKES-OAHLLOKOSA-N 409.489 0.340 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cnc(O)nc4N)CC3)CC2=O)cc1 1116892662 UTZLEFGOMNXWOV-AWEZNQCLSA-N 407.434 0.338 30 20 HCED Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1290191786 LJRRJTJOJRPIHX-HOCLYGCPSA-N 404.496 0.974 30 20 HCED Cc1nc(S(=O)(=O)N2CCC(C(=O)[C@H](C#N)C(=O)c3nccn3C)CC2)cn1C 1357599228 QZCFZTKWLKWIRP-AWEZNQCLSA-N 418.479 0.455 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1468254151 KPQURTQHGPVKIP-BLLLJJGKSA-N 411.505 0.261 30 20 HCED CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1512700592 XDKWGYMFQXLFQJ-ZOMKSWQUSA-N 414.532 0.414 30 20 HCED CS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1519620643 UGFAPDMSFAIMMH-HNNXBMFYSA-N 424.458 0.274 30 20 HCED CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1552694956 YGNUTVTUPIJERD-GUYCJALGSA-N 412.491 0.491 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CCN2CCCS2(=O)=O)C1 1611768055 YSXAEEPHBDDDNK-YJBOKZPZSA-N 408.528 0.948 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n1 1623090296 YZZJFUDBJPWEIV-UHFFFAOYSA-N 400.418 0.731 30 20 HCED COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)cc1 1635073170 BPNIOHYZSJUCIA-MRXNPFEDSA-N 419.507 0.450 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1663819892 KPANPOWANKHHAN-AWEZNQCLSA-N 414.505 0.996 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCn1ccnn1 1751214006 OJXARJQUGGMZNW-CQSZACIVSA-N 421.531 0.700 30 20 HCED CCCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1765746525 XBUJWZMNGYLNKU-HZPDHXFCSA-N 410.544 0.641 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)nn1C 1779063330 VSXYLVJGEKCRSA-QFIPXVFZSA-N 414.506 0.871 30 20 HCED C=CC[C@H](C(=C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[C@H](O)CN1)C2 1779271828 PKADIOJAMLEBPP-CXRJOHDQSA-N 405.539 0.992 30 20 HCED C[C@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@@H]2CCCCO2)C1 1779423794 HLPCAQLROGMQDB-KHEABUANSA-N 424.498 0.164 30 20 HCED N#CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(=O)nc3cccnn23)C1 1780038313 PJFQTHXRFCIQCT-FOIQADDNSA-N 410.434 0.131 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccccc3C(=O)OCCO)C2)C1 1780157455 ISDOOMZGHRPKHF-XOBRGWDASA-N 422.503 0.598 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2CNC(=O)O2)CCO3)c1 1780168216 GCASBROATBZVGV-JXFKEZNVSA-N 414.418 0.119 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2nccnc2C(N)=O)CCO3)c1 1780599632 POQPJHSSUXGPAJ-NRFANRHFSA-N 420.429 0.204 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c(C#N)c1 1781171446 YRHPTZHKCUMBNR-CWZMJNCASA-N 413.474 0.710 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400825 XMZPOZLXQINCMP-MPGHIAIKSA-N 401.529 0.731 30 20 HCED CC(C)(C)OC(=O)N[C@@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781852594 DQGDLMQAHJTTDN-DJJJIMSYSA-N 410.471 0.209 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)NC(=O)OC(C)(C)C)C2)C1 1781857923 DHUYFXDZGBDOLT-DYESRHJHSA-N 423.510 0.853 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4c3CCC4)C2)C1 1782314895 ZLPKHBAQKJRWIU-RMUOZIPVSA-N 413.478 0.131 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cccc(C#N)c1)CCO2 1782646556 UHZQWVDOTVJYKL-HXUWFJFHSA-N 415.519 0.486 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]3C[C@@H]3N1C(=O)OC(C)(C)C)CCO2 1783055684 VNQGLLLLTXMXGY-CMBDLQSPSA-N 403.479 0.847 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C)O3)C[C@@H]21 1783530913 UQBRNSHEYMRYFA-PPOWJSDDSA-N 405.495 0.392 30 20 HCED Cc1ccc(OCCC(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1 1783554995 GQCOYAPKUKEIRL-NRFANRHFSA-N 400.431 0.682 30 20 HCED CC(C)n1nc(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@H](C)S)C3)C2)cc1C(=O)O 1783885213 DNSFPYNCUPPVOV-KPZWWZAWSA-N 410.496 0.924 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1785378441 CQSUAKIIGAWFFJ-NRFANRHFSA-N 409.446 0.664 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCC(=O)N1)CCO2 1785378717 MYDFLOFJWJIRNF-IERDGZPVSA-N 412.446 0.046 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@@H](C)O3)[C@H]2C1 1788154979 DOAOVJQYEXOEHV-PPOWJSDDSA-N 405.495 0.392 30 20 HCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)[C@H]2C1 1789764154 BJYQFFDQTNFIIB-ATIWLJMLSA-N 402.495 0.671 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]21 1791076091 MATZSBZUBFYNMK-MPGHIAIKSA-N 414.414 0.026 30 20 HCED C=CCSCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn3cccnc3n1)C2 1793822284 OPWYTCVMZYAXKU-XOIINTDNSA-N 401.492 0.852 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1cccc(OC)n1 1793984564 XYRZTWNGVMVEQL-IHSNIMORSA-N 403.479 0.813 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1cncc(OC)c1 1794052301 SHIOLGPBTLWNLP-LAVAIGHBSA-N 415.490 0.651 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1cc(O)nc(O)c1 1796137327 HSLUUZGKLHAEBA-UPHUGPLXSA-N 407.426 0.748 30 20 HCED CC(C)CNC(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/O[C@H]1CCCCO1)C2 1796917181 JDVAKYQNUMBCTM-ZJMMHTSPSA-N 408.499 0.926 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C/c1ccco1 1798519350 YRJRZPQWBRZYHU-GBMCQUCTSA-N 406.439 0.401 30 20 HCED CNC(=O)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(C#N)c1Cl 1798589447 KFSFUMNHGISJML-IVWMJMPLSA-N 404.854 0.551 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(=O)c(OCc3ccccc3)c[nH]1)C2 1800450574 CKNGBHFKHDSGRW-FAQVEIGNSA-N 421.453 0.790 30 20 HCED COc1cccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)c1C 1800781166 KQTHMXQVLZRMFG-VPTLXERWSA-N 400.431 0.224 30 20 HCED O=C(CCN1CCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1802191857 ZBNZUHJBOFRIIA-YRIZPTOHSA-N 402.495 0.774 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)[C@H]2CCc3nc(O)nc(O)c3C2)[C@H]1c1cccnc1 1804570350 YXIHTDBPGBRUPX-ZBQZNYHESA-N 421.457 0.727 30 20 HCED Cn1cnc(C(=O)NC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)[C@@H]2c2cccnc2)n1 1805319774 QWJCLTNVDZHLNK-DLBZAZTESA-N 424.509 0.812 30 20 HCED Cc1c(C(=O)N2CC[C@H](CNC(=O)CC#N)[C@@H]2c2cccnc2)cn2[nH]cnc(=O)c12 1806282536 OXMHENVMEMXEJZ-BEFAXECRSA-N 419.445 0.959 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1808869138 LFADQXDLKFGWDZ-IDHHARJASA-N 400.435 0.976 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@H](CNC(=O)Cn3nccn3)[C@@H]2c2cccnc2)c1 1808947494 CHXCQWZVVBDAQQ-LPHOPBHVSA-N 404.434 0.893 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)CSCC(=O)O)[C@H]1c1cccnc1 1813084005 HQZIOGPZXDROSB-IDHHARJASA-N 419.503 0.944 30 20 HCED CCN1CCC(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@H]2c2cccnc2)CC1 1814244593 KSEVORVVNQMRMB-NQIIRXRSSA-N 412.490 0.907 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)C(OC)OC)[nH]n1 1814434152 QVYXHBUVQNZNGX-CKXPSTMWSA-N 405.455 0.879 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1CCc2nc(NC(=O)c3[nH]nc4ccncc34)sc2C1 1816865595 DZKKODPZLNBILG-SECBINFHSA-N 410.415 0.728 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cnn3ccncc23)n[nH]1 1818736136 DGIYGCNZGDIHRG-CQSZACIVSA-N 407.390 0.846 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)CC2 1819708783 CYPMKJZNLVZULX-OSMZGAPFSA-N 406.508 0.907 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822527837 WGHITTPHSLXIOR-DZGCQCFKSA-N 415.450 0.918 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3ccc4nn[nH]c4c3)sc2C1 1824416693 XRMHLCIRTODAEF-JTQLQIEISA-N 410.415 0.728 30 20 HCED COCc1oncc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1830056486 BFGKULFRRSEVCV-LJQANCHMSA-N 406.439 0.441 30 20 HCED COc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)nc1 1830056645 JUIIAFLSOYIFOU-FQEVSTJZSA-N 402.451 0.710 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)C1 1830057476 FIAWKCPFHNFJMF-PGRDOPGGSA-N 413.474 0.996 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(/C)C(=O)O)C2)C1 1831413677 FESUZAVHDYLLOU-VMTBQTDASA-N 410.467 0.457 30 20 HCED NC(=O)NCC(=O)N1CCCC[C@H]1C1CCN(C(=O)/C=N/O[C@H]2CCCCO2)CC1 1832937559 SZYRVOWWOLDRGD-FNPOSJQDSA-N 423.514 0.803 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1833705216 RQYHHEKFVPCFRF-UHFFFAOYSA-N 422.599 0.317 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833896472 KIKWFYPHBMYMQH-OAHLLOKOSA-N 404.515 0.591 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096141 RMCBBOJKWDRHLK-VGSWGCGISA-N 413.474 0.006 30 20 HCED CC(F)(F)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837441757 CRCWCUQVZPARJO-PGNNWUFWSA-N 402.442 0.570 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CC)NC(N)=O)C2)C1 1837662961 KWHJHUCXQLJGQC-KKSFZXQISA-N 424.542 0.882 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)c1 1838338240 UFMGSPCKQRFQGW-JOCHJYFZSA-N 422.441 0.575 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C)nc1O)CCO2 1838674784 WOZCJKZEDRSZHI-NRFANRHFSA-N 401.463 0.969 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C[C@H](CC)NC(=O)OC(C)(C)C)CCO2 1839212208 SOXYSJBPTTYAIG-KKSFZXQISA-N 423.510 0.769 30 20 HCED CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)ON=C(C)C)CCO2 1839223913 KCGYJEZTWGDUQH-UZLBHIALSA-N 421.498 0.774 30 20 HCED CO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1839422287 MDFITFHFNVRMNW-XOBRGWDASA-N 405.426 0.802 30 20 HCED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1839831097 AVJFRUQYBMEJED-OAQYLSRUSA-N 417.437 0.675 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)[C@H](O)Cc4ccccc4)CCO3)C2)CC1 1839957919 LVYDERXNVUCVCA-GCJKJVERSA-N 413.474 0.350 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)s3)C2)C1 1840041413 LNGYBPUWHOZGDP-KRWDZBQOSA-N 412.851 0.560 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCC(CO)CC3)C2)C1 1840158869 RXRGVXJJGVOMNX-QAVIERHMSA-N 400.541 0.560 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 1840172213 ZJPDGZDJUXKMSW-HXUWFJFHSA-N 404.467 0.167 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCC4)C2)C1 1840842762 ZMYGCJVLGJSUKF-OAQYLSRUSA-N 400.479 0.703 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CN3CCOC3=O)C2)c(C#N)c1 1841484520 BUZYMHMHXWMTTC-UHFFFAOYSA-N 412.446 0.765 30 20 HCED C=CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2CCc3nc(O)nc(O)c3C2)C1 1842056782 MPIHJAWSSPMJPA-ZIAGYGMSSA-N 416.478 0.787 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)c1 1844298517 WBKIWEFNBDNBNZ-JXFKEZNVSA-N 412.490 0.781 30 20 HCED Cc1c(C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)cn2[nH]cnc(=O)c12 1844656597 JNNOBANCYGPHPV-UHFFFAOYSA-N 405.418 0.662 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)c2c[nH]c(=O)cn2)C3)c(C#N)c1 1845139190 NRZMTWSFGAIYEU-UHFFFAOYSA-N 407.430 0.710 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1COc2ccccc2O1 1847262857 KSNPOKBXAIBEKQ-FEZXQPRLSA-N 411.458 0.887 30 20 HCED Cn1c(N2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c(C#N)c(=O)n(C)c1=O 47254691 ZSDBUFRGODSTEG-NSHDSACASA-N 402.842 0.859 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)NC(C)(C)C)cc1 49270060 OUVMTPFEKXXVKT-UHFFFAOYSA-N 410.496 0.463 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1 54848234 QLQINGNSIWHGLE-UHFFFAOYSA-N 408.480 0.824 30 20 HCED C=CCN(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)[C@H]1CCS(=O)(=O)C1 57238093 DMQSBAATAKQLPF-ZDUSSCGKSA-N 409.420 0.522 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 410132377 WGAIIERYHPANFP-UHFFFAOYSA-N 416.450 0.829 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 410154308 MQOPHCGMRIFPEG-UKRRQHHQSA-N 418.516 0.905 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(S(=O)(=O)CCOC)cc1 410397644 LQFYNTZGPNEYKH-AWEZNQCLSA-N 403.526 0.923 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)cc1 442267312 WBXTZLOXJFLBFY-KRWDZBQOSA-N 418.519 0.904 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C(=O)NCC[C@H]2C)cc1 443259619 AEXPVTUUQJCWTP-DOMZBBRYSA-N 408.480 0.072 30 20 HCED C=CC[C@@H]1N(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCCC1(C)C 447424787 YVVCFGRRDAJCMY-INIZCTEOSA-N 417.510 1.274 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 464302434 RHZFSHJJIDTKJA-ZBEGNZNMSA-N 404.423 0.707 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1c(=O)nc(O)c2ccccc21 465464940 IJLJQXSCDNPMKO-ZDUSSCGKSA-N 405.418 0.501 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 473394206 ZVXDWYIENPQSRL-LJQANCHMSA-N 409.490 0.472 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)Cc1ccco1 476741752 FSGQEIUJEZKZDS-ZDUSSCGKSA-N 404.448 0.988 30 20 HCED CN1CCN(C)[C@@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 477596554 IVZNYUAVGWHJTF-KRWDZBQOSA-N 410.526 0.804 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 480210501 CXYPHOQHPRJSOT-UHFFFAOYSA-N 409.467 0.649 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccncc2)c1=O 484516700 QGLKCFFTLMASAG-UHFFFAOYSA-N 400.529 0.793 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 484720044 KHNLURBGJLQLKA-SJORKVTESA-N 420.535 0.947 30 20 HCED CNC(=O)CCOC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 487888139 LSMHDSWGZKGREZ-UHFFFAOYSA-N 422.507 0.322 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(NC(C)=O)ccc2OC)CC1 491075043 BJYWUBKAEDZRPK-UHFFFAOYSA-N 417.466 0.039 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C)c1=O 502011793 BSZCGXZFGAHSMT-UHFFFAOYSA-N 417.535 0.345 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(-c2ccccc2)c1=O 502045202 PFBMQUSWIXOHBM-UHFFFAOYSA-N 405.483 0.758 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@H]34)CC2)c(F)c1 502241647 JICICWJXDDAFKW-FUHWJXTLSA-N 413.453 0.616 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)nn1CCC#N 504494651 BBCHWYCBBYZGDG-UHFFFAOYSA-N 415.498 0.200 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(O)(CC#N)C2)cc1Br 506398973 TZBVAYXQDYFKRX-UHFFFAOYSA-N 402.270 0.800 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 507386368 UZTKGWPRPWYPNP-UHFFFAOYSA-N 424.504 0.999 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 508672732 VVWILNNMNCFQHW-SJORKVTESA-N 419.507 0.777 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 509216034 DOVKJQUCBLFCTE-ZDUSSCGKSA-N 404.489 0.611 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc3c(c2)CCO3)c1=O 511082665 OFUSFKFPLRGOBS-UHFFFAOYSA-N 413.499 0.520 30 20 HCED CCCN1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 517615469 FSAOFVOFVBGTAJ-OALUTQOASA-N 411.506 0.623 30 20 HCED Cn1nnnc1SCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 518337650 RJZSJRMKFNHFBF-UHFFFAOYSA-N 421.508 0.097 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N2CCCC2=O)C1 531963758 SSSUEKZBUGHPKW-ZBFHGGJFSA-N 404.492 0.838 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC4(CCOCC4)CC3)CC2)o1 545277249 JVJPMSCCOKJKOM-UHFFFAOYSA-N 403.483 0.775 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1CC(N)=O 545915803 GHDXNCIIQSRMQD-UHFFFAOYSA-N 416.890 0.162 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 554134122 OBLZIXTVTRNXBI-NVXWUHKLSA-N 412.494 0.365 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)CC1 557732054 LMQMCQGOUBGYTQ-LJQANCHMSA-N 414.506 0.679 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O 557913302 MYCOHKFBQXZESM-GDBMZVCRSA-N 418.881 0.807 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 561414148 PGPPOTJVSZCBGY-AWEZNQCLSA-N 408.524 0.620 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCC2(N3CCC(OC)CC3)CCCC2)C1=O 563291339 AZNRNGBBXMQDKD-SFHVURJKSA-N 420.554 0.772 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1 569480091 MZKVYBDRRSTCDH-UHFFFAOYSA-N 407.434 0.745 30 20 HCED N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(N)=O 589159022 FTNXFQYTQPHAPU-UHFFFAOYSA-N 407.426 0.920 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1 606078279 QRHVVLXMHMMECE-UHFFFAOYSA-N 411.484 0.377 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 608889758 ZFCCWTPADIAUBA-UHFFFAOYSA-N 411.506 0.835 30 20 HCED C=CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1CCS(=O)(=O)C1 609482403 LJWFPQOCDNXPIT-NSHDSACASA-N 407.404 0.393 30 20 HCED N#CCCn1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)n1 609789673 MGXIDNROYONVQQ-UHFFFAOYSA-N 402.436 0.170 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCN(CC#N)CC1 610112176 HLZBWPCIPNBVRW-SFHVURJKSA-N 422.507 0.428 30 20 HCED C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN(C)CCO1 610899753 JSJCFLPSHHEJQO-CRAIPNDOSA-N 421.523 0.293 30 20 HCED C[C@]1(C2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)NC(=O)NC1=O 613156860 BDEGWAMDYRXMGI-LJQANCHMSA-N 408.422 0.981 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccccc2OC)N2CCCC2)C1=O 623206660 PVUXEKJYCAITPD-MRXNPFEDSA-N 414.462 0.925 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 728534889 WTCPOBCMESTGOL-QGZVFWFLSA-N 416.909 0.582 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)CC1 728534985 YWBBIFHWFXEILJ-UHFFFAOYSA-N 420.535 0.061 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 728570825 NSLAATRFMHEUNF-UHFFFAOYSA-N 412.412 0.568 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC2CC2)cc1 731128588 BRGKGYFMZOQGFW-XLNRJJMWSA-N 422.507 0.981 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 733148627 FPDRQKWYODICPG-UHFFFAOYSA-N 419.475 0.642 30 20 HCED CC(=O)NC[C@@H]1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742589123 NECILEPNHGNWOP-HIFRSBDPSA-N 406.508 0.878 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)cc1C#N 752396085 DIEKWSGMFOISNF-OAHLLOKOSA-N 417.422 0.429 30 20 HCED CN1CCN(c2ncc(C=NNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cn2)CC1 755674649 QDJDDVGZFOAWDL-UHFFFAOYSA-N 419.467 0.590 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(OC(F)(F)F)c2)c1=O 758068244 NJLNLUOWSSGLGP-UHFFFAOYSA-N 407.373 0.691 30 20 HCED CCS(=O)(=O)NCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 770413477 RMSAEVKMWUEIBA-NBVRZTHBSA-N 402.498 0.377 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@@H]2CCCCO2)CC1 772330509 ZCLVSEHPGKONFV-INIZCTEOSA-N 421.475 0.503 30 20 HCED C#C[C@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCCO1 773562468 SXUBYZNGRTUZLB-HOTGVXAUSA-N 402.476 0.644 30 20 HCED CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc2c(c1)OCO2 774300405 AUPSPCSXFDFNLT-CQSZACIVSA-N 406.464 0.961 30 20 HCED N#Cc1ccc(N2CCC[C@H](OC(=O)c3ccc(S(N)(=O)=O)nc3)C2=O)cc1 778840070 AODKTRAUWOEJKP-HNNXBMFYSA-N 400.416 0.953 30 20 HCED COC[C@@H](C#N)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 784949153 UYFSOCGJVLIBKV-MRXNPFEDSA-N 423.491 0.690 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786370640 ZCBYKHCPEFSPED-PQINXHLPSA-N 405.451 0.525 30 20 HCED CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 786736519 WFHDHMSVQXCQGI-UHFFFAOYSA-N 416.482 0.633 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1 787746725 HQGHSUKJTIWQEN-QWHCGFSZSA-N 404.448 0.719 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(NC(=O)C3CC3)nc2)n1 789786937 CDFVNQIDSXSKRT-UHFFFAOYSA-N 424.461 0.874 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)n1 789794741 JQAWSCIRBQQCMH-SFHVURJKSA-N 409.446 0.405 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(-c3cccc(F)c3F)o2)c(=O)n1CC(N)=O 790429198 OSSTXWYSSBCJJY-UHFFFAOYSA-N 412.377 0.960 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CO)[C@H](O)C1 798998286 ASESJDGNCXWPCS-VNQPRFMTSA-N 409.508 0.486 30 20 HCED C#CCN(CC#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 799086179 NABYCFHPWAIAML-FVLHSZHDSA-N 423.516 0.365 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1 802560129 OAHLIZXWXMCWMR-UHFFFAOYSA-N 411.430 0.957 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1)[C@@H]1CCCO1 809307197 AIBJTIAIRUZQJY-ROUUACIJSA-N 401.463 0.914 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCc2cc(OC)c(OC)c(OC)c2CC1)[C@@H]1CCCO1 809311098 GBZSGDFLCBFPLN-IRXDYDNUSA-N 416.474 0.937 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1)[C@H]1CCCO1 809312126 LGBUUNZWHKCZHF-JONQDZQNSA-N 409.483 0.424 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)C1=O 809887526 YTFCVHXXTPWRJX-HUUCEWRRSA-N 410.515 0.993 30 20 HCED C#Cc1ccccc1CC(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 811257950 BJOVWDGRYVRCTB-SFHVURJKSA-N 404.488 0.085 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H](O)C2(C)C)c1 813026054 JLSNPPQOPQMGRH-JJTVEENBSA-N 422.507 0.810 30 20 HCED O=CN1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 816270328 BAJFLPFUTKJOFW-UHFFFAOYSA-N 406.508 0.976 30 20 HCED CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 816757405 RKPTZFKBSAYKIE-HUUCEWRRSA-N 415.537 0.891 30 20 HCED CC(C)[C@H](OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 876675319 ISAIRVNKFFVSQP-KRWDZBQOSA-N 423.491 0.542 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1 918613758 XAWXNELUULKRCX-NJZDQMEHSA-N 407.452 0.426 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 918613761 XAWXNELUULKRCX-UEMQISARSA-N 407.452 0.426 30 20 HCED C=CCCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1 996885953 OYDNVEHUQSXXCH-OSBBLCOHSA-N 402.499 0.435 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCOC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1079139814 JNKQNQRVPZZQNY-DUXSEINCSA-N 404.507 0.957 30 20 HCED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CCN(C)CC1 1109302266 ZTMIXHCNQZBRMF-AGRFSFNASA-N 404.555 0.757 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](N2CCOCC2)CC1 1140533851 LLCUGQAPGURLHX-AEFFLSMTSA-N 420.535 0.938 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(NS(C)(=O)=O)CC1 1317907087 LASPZKWHQCCYKM-UHFFFAOYSA-N 404.496 0.691 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2c(=O)n1CC#N 1319300396 LLOXNQYDWKFRMA-CQSZACIVSA-N 417.491 0.045 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)o1 1330351027 RCRKELVDCBKUIN-AWEZNQCLSA-N 424.479 0.261 30 20 HCED COc1ccc(C(=O)[C@@H](C#N)C(=O)NC2CC2)cc1S(=O)(=O)N1CCOCC1 1357543060 KHRBUGYJGABLFK-CQSZACIVSA-N 407.448 0.317 30 20 HCED CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1519524049 UATWXPQOPJVJMI-HNNXBMFYSA-N 402.480 0.563 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H](n1cncn1)C(F)(F)F 1565205332 XHBPTEHIGILRQT-YPMHNXCESA-N 409.376 0.963 30 20 HCED CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1 1618310716 YWKYQAVTVDVBBC-UHFFFAOYSA-N 415.483 0.094 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCCN(CC(N)=O)C3)CC2=O)cc1Cl 1628385917 IKWXORMPPBADHY-KBPBESRZSA-N 403.870 0.630 30 20 HCED COc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1OCCN(C)C 1632711398 TXMSOOHCFAXCIW-UHFFFAOYSA-N 401.423 0.086 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCn1cc(CO)nn1 1692521249 WIRQCSDQHJYNBD-UHFFFAOYSA-N 415.502 0.720 30 20 HCED C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1722480988 VQBPVDOUNKIIQM-QWRGUYRKSA-N 419.305 0.526 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccn(C)n1 1751214966 UJEFEDSGBFADQA-ZDUSSCGKSA-N 406.516 0.800 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1769369163 XNHDBQXWOSVTRV-KRWDZBQOSA-N 408.459 0.945 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCOCC2)cc1 1770735494 LAKRMYIOJHWTGH-SFHVURJKSA-N 409.494 0.851 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](COC)NC(=O)OC(C)(C)C)C1 1778052686 UZDAXOUTCXXLJA-WHSLLNHNSA-N 423.510 0.673 30 20 HCED O=C(/C=C\C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)NC1CC1 1778828472 NIFSYACOBBETRL-VLRJHWBUSA-N 407.470 0.703 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)nc3)C2)C1 1779437726 KRFOWFPSGRVLDP-HXUWFJFHSA-N 403.458 0.946 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(CO)on2)C1 1780217854 CBPMAFPWZVMMHJ-CBGDNZLLSA-N 421.494 0.868 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)n(C)n1)CCO2 1781266957 HFZGBAYCAQVSIH-HXUWFJFHSA-N 404.467 0.681 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)Cc3cc(C)n(C)n3)CCO2)C1 1781393762 VHAJVGSEBOGYJO-JXFKEZNVSA-N 405.499 0.902 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccccc3O)C[C@@H]21 1783530049 BUKHBRSXCNHTQR-LYGXWFJISA-N 413.474 0.844 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3nc(N)n[nH]3)C[C@@H]21 1784535884 DGABRSNMPVFGCR-WFGGJUAMSA-N 410.544 0.254 30 20 HCED CC(=O)Nc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4(C#N)CC4)C[C@@H]32)n1 1785533659 VPZDNRPYJQGMBC-ZOBUZTSGSA-N 411.462 0.937 30 20 HCED O=C(C#Cc1ccccc1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1786563764 CHEBUXJJJGHCKQ-FYQPLNBISA-N 409.486 0.544 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4c(c3)CCCC4=O)[C@H]2C1 1788002114 AIIYFKJDKCNJKI-QRFRQXIXSA-N 424.453 0.887 30 20 HCED CCN(C)[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788603689 NIMLJQRSARSESZ-JOFDJUQZSA-N 407.559 0.778 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C#N)c[nH]3)[C@H]2C1 1789346522 LVOUIKCKYSWGFL-BMFAXAFESA-N 415.494 0.784 30 20 HCED 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N#CC1(F)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 510887782 MIFZDUSFQIVTNK-UHFFFAOYSA-N 412.462 0.986 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12 513984005 XHRAYRNEVGNBPC-IFXJQAMLSA-N 419.507 0.713 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 544879906 FUTISDJBCSQZQR-SWLSCSKDSA-N 405.480 0.288 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 551581328 BGFNPHQMBYTMMC-UHFFFAOYSA-N 402.335 0.904 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)c3c(C)noc3C)CC2)c1C#N 554839465 YSMQFQHMEAAXAQ-LBPRGKRZSA-N 413.482 0.774 30 20 HCED CCN(C(=O)[C@H](C)S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 555472086 XCTSDNGPOZPNDY-WCQYABFASA-N 402.469 0.895 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 556038868 QSRUFWDAJFJEIR-SJORKVTESA-N 411.506 0.891 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)CC1 556614496 CZONUSFHGKHMHN-QUCCMNQESA-N 414.506 0.469 30 20 HCED CN(CC(=O)N[C@@H]1CCO[C@@H](c2cnn(C)c2)C1)S(=O)(=O)c1ccc(C#N)cc1 557191399 PGEDWJYQSRQBCC-SJLPKXTDSA-N 417.491 0.949 30 20 HCED C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 557747114 KORXOYUAVFOFAZ-ARYPMIFLSA-N 409.446 0.153 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)nc1 559554090 CHMXIXYPBHLMBL-UHFFFAOYSA-N 411.393 0.781 30 20 HCED C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1nnnn1Cc1ccccc1 560442580 LWSCAAYKVAYIKB-UHFFFAOYSA-N 423.462 0.930 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 564067530 QITRSIKXSALKFR-BBRMVZONSA-N 420.491 0.061 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 573988807 MBAKDEWLQOOPOL-UHFFFAOYSA-N 411.549 0.991 30 20 HCED COC(C)(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 576790315 UUQBWZRNGRGPDR-UHFFFAOYSA-N 401.510 0.619 30 20 HCED CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 589807116 ZHWQIFHJSPARES-HNNXBMFYSA-N 404.496 0.099 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 603595716 ZVKWIALVJCNKBO-UHFFFAOYSA-N 404.452 0.372 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1 603788766 YAQQEKKQHJBZGB-UHFFFAOYSA-N 420.494 0.950 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OC)cc2)c1=O 603793121 LBKBGWQXTPZCPF-UHFFFAOYSA-N 411.483 0.466 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)c2ccc(OC)c(OC)c2)C1=O 607586692 MDHDKSOENDZTTI-UHFFFAOYSA-N 405.407 0.660 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CNC(=O)c2ccc(C#N)cc2)C1 608891120 URUJUAJXVQEUQC-QGZVFWFLSA-N 414.462 0.548 30 20 HCED CC1CCC(NS(=O)(=O)CC(=O)N(CCC#N)CCN2CCOCC2)CC1 609456862 NFSWHAQFDAUMIC-UHFFFAOYSA-N 400.545 0.559 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 728533528 MIBHTPBIDFRUPJ-UHFFFAOYSA-N 423.521 0.332 30 20 HCED COC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(OC)cc1 729389911 SDOSMOQOSZHLHQ-QGZVFWFLSA-N 417.443 0.764 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 749502537 PCUPLOGCUJCUQV-UHFFFAOYSA-N 424.413 0.630 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 752029275 CSWUQCZDKXAKAN-QGZVFWFLSA-N 406.527 0.964 30 20 HCED C[C@@H](OC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)N(CCC#N)c1ccccc1 756452782 PMUSRCUJARWXND-CQSZACIVSA-N 419.463 0.577 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1CC(N)=O 758589256 NTFUQQQVZLRACQ-UHFFFAOYSA-N 419.532 0.003 30 20 HCED CS(=O)(=O)CCn1cccc(NS(=O)(=O)c2c(F)cc(C#N)cc2F)c1=O 760267165 CUSCLWFRXAGYQE-UHFFFAOYSA-N 417.415 0.844 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nccc(N)n1 762592542 YSQSASRCGMMJSK-ZDUSSCGKSA-N 402.480 0.973 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 763384879 WJTZITZBURSJLI-UHFFFAOYSA-N 401.390 0.572 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 763766845 JPXYWEJHKYPYES-UHFFFAOYSA-N 409.431 0.884 30 20 HCED CS(=O)(=O)NN=C1C(=O)N(Cc2ncon2)c2ccc(Br)cc21 764703843 IHPNGPIKTAJTNF-UHFFFAOYSA-N 400.214 0.632 30 20 HCED Cn1cc(S(=O)(=O)NN=C(CC(F)(F)F)c2ccccc2)c(=O)n(C)c1=O 771890642 HKPZCCUMOMUWCK-UHFFFAOYSA-N 404.370 0.719 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1)[C@H]1CCCO1 773794497 MSTDPPUMEPRMOG-RRQGHBQHSA-N 407.492 0.999 30 20 HCED C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@H]1CCCO1 775340103 KFXTYQOBYHAODZ-SJLPKXTDSA-N 408.476 0.627 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 780050859 PFECASJIFDXLCP-WMLDXEAASA-N 400.435 0.766 30 20 HCED CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1 782129811 CBFYSDLIFZWQSY-UHFFFAOYSA-N 401.448 0.895 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C 783350002 FGAZYFOJSAHURB-UHFFFAOYSA-N 423.491 0.123 30 20 HCED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CCN(Cc2ccccc2)C1=O 787774387 HOZSLRUBUIUERN-GOSISDBHSA-N 420.473 0.741 30 20 HCED COc1ccc2nc(C=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)sc2c1 788720357 LURIZURMALKLIG-UHFFFAOYSA-N 409.449 0.015 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 804465445 NSBZOMNQEJCTEB-AWEZNQCLSA-N 423.491 0.842 30 20 HCED NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 804889151 GAEPAJLPKBHMQH-CQSZACIVSA-N 420.878 0.591 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2nc(C)n(C)c2Br)CC1 804975419 FIQGJYFYUXNCHK-UHFFFAOYSA-N 403.302 0.641 30 20 HCED C[C@@](O)(C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 805580326 QKCGVHZZDIIACT-IBGZPJMESA-N 421.475 0.095 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 806335825 CEFBUJIRPNBTJK-LSDHHAIUSA-N 410.515 0.897 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 807335309 AYKGBVVCXKIKIM-MRXNPFEDSA-N 402.476 0.617 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCCO1 809311580 XZDCLAFGNSOGJB-ROUUACIJSA-N 419.503 0.207 30 20 HCED COc1ccc([C@@H](O)CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 810348949 BHOAMVDLOMEDGK-KRWDZBQOSA-N 406.402 0.936 30 20 HCED Cc1cc(NC(=O)C(=O)NCC(=O)NCC#N)c(C(=O)NCC(F)(F)F)cc1F 810414383 RUBNWFBJROPLMR-UHFFFAOYSA-N 417.319 0.121 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(F)ccc2OC)c1=O 812279569 QTLXXESKUBHAGP-UHFFFAOYSA-N 411.458 0.816 30 20 HCED COc1cc(C#N)ccc1OCCCC(=O)NS(=O)(=O)N1CCN(C(C)=O)CC1 813949720 XZRHIWWEEYJUJD-UHFFFAOYSA-N 424.479 0.251 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C 818158482 HKBOHCFEJRBYMH-XNTDXEJSSA-N 400.395 0.543 30 20 HCED C=CCNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 819799413 PMNROYOSBVYVOC-UHFFFAOYSA-N 411.480 0.233 30 20 HCED O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 820482162 DXEPERZZBJUHPW-LSDHHAIUSA-N 401.423 0.033 30 20 HCED N#C[C@H](C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)N1CCCC1 916869867 WKMLJCZENSOXSL-GOSISDBHSA-N 419.503 0.971 30 20 HCED CCN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 918291607 ZMRMAWZUBXJEHP-HEHNFIMWSA-N 421.523 0.602 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(CCO)C2CC2)c1 918422086 KMKWGSMWURNEIL-SILNSSARSA-N 408.480 0.421 30 20 HCED Cn1c(C=NNC(=S)NCc2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 920364041 NFYCTHNHCYWXLD-UHFFFAOYSA-N 415.435 0.100 30 20 HCED CNC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1152392427 RSSLTJZHEFHQBW-HNNXBMFYSA-N 414.487 1.000 30 20 HCED CS(=O)(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1302460903 ZZBUYKBINQIPJM-CQSZACIVSA-N 415.541 0.355 30 20 HCED N#CC[C@@H]1CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 1307923589 KGJCKDQXQPFABI-KRWDZBQOSA-N 420.535 0.949 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)cn1 1314899748 YCLHXKVBOHTVTB-HNNXBMFYSA-N 405.484 0.232 30 20 HCED C#CCn1cc(CNC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cn1 1347758475 VXARTBFYVMQMDX-LJQANCHMSA-N 402.476 0.588 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(O)CCC1 1360684220 MAOHEMKRIWFAKU-WFASDCNBSA-N 400.480 0.635 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCC1CC1 1541675756 WRLPWRRAOFVGPQ-MRXNPFEDSA-N 414.514 0.119 30 20 HCED CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1547735444 QVYPXAKUOCRNPY-IRXDYDNUSA-N 402.547 0.995 30 20 HCED COCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1555302736 PPOSVDCIJDZFOJ-GJZGRUSLSA-N 409.512 0.726 30 20 HCED N#Cc1ccc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)nc1 1564873291 CHDBPZZGBKLDBZ-UHFFFAOYSA-N 420.417 0.614 30 20 HCED CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1610045963 VPBCAOPWPOIWJO-KRWDZBQOSA-N 422.493 0.897 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2COc3ccc(Br)cc32)c(=O)nc1O 1641970547 MWXKWKFOCUCCSV-LBPRGKRZSA-N 405.208 0.875 30 20 HCED Cc1sc(Br)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1665119336 WPZVDSIWSBHNTE-UHFFFAOYSA-N 419.282 0.932 30 20 HCED COC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)OC 1730462178 ZPPDZCBZASVDEW-KEYYUXOJSA-N 414.532 0.680 30 20 HCED CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1741196695 VQCPPGRATNUWHE-KRWDZBQOSA-N 415.542 0.902 30 20 HCED 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30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc4c(c3)OCO4)CCO2)C1 1835172920 QFPPHOALMVPANK-VBKZILBWSA-N 422.503 0.733 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc5ncsc5[nH]4)C3)C2)CC1 1835344691 QFSIQLWPFIWSQA-LJQANCHMSA-N 415.475 0.998 30 20 HCED Cn1nc2c(c1C(=O)N1CCOC[C@]3(C1)CN(C(=O)C1(C#N)CC1)CCO3)CCC2 1835346497 DSBSARSSVHFINL-NRFANRHFSA-N 413.478 0.283 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3C=CCN3)CC2)CC1 1835713460 YQCHTZXYUTUXRP-OALUTQOASA-N 404.555 0.659 30 20 HCED Cc1noc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)n1 1836067933 LCRRCURASATGJC-JOCHJYFZSA-N 424.457 0.429 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836195793 YXYVKJJYTJUDLO-YLJYHZDGSA-N 406.483 0.239 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cc(CO)on3)CC2)CC1 1836860795 YGMKXMUNWFGNOF-HNNXBMFYSA-N 419.478 0.817 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1837299735 ILNGENYFVMIGJP-DYESRHJHSA-N 422.526 0.482 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)nc3)CCO2)C1 1837840127 GECWSKZEKZHZDI-MGPUTAFESA-N 405.426 0.329 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(O)no3)CCO2)C1 1838105479 GWHUHZMEDMCNAB-IFXJQAMLSA-N 409.439 0.023 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)c1 1838107754 FOBMSHINBYERIB-HXUWFJFHSA-N 412.402 0.636 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ncoc1C)CCO2 1838206127 IWUBNISQMAHNTQ-FQEVSTJZSA-N 421.450 0.562 30 20 HCED CC(C)[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 1838331806 PJZMZQBKRLAGQU-LPHOPBHVSA-N 409.508 0.344 30 20 HCED CC(=O)NCC(=O)N1CCC(OC2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1838409300 FVBNWXBHQJSCFS-LPYMAVHISA-N 418.494 0.833 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCC(OC3CCN(C(=O)[C@H]4CNC(=O)C4)CC3)CC2)c1 1838550940 GHXJFTVXEWGJFA-OAHLLOKOSA-N 413.478 0.635 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCn4cncn4)C3)C2)c1 1838908668 MPQTTXIPFFLBCF-NRFANRHFSA-N 424.461 0.310 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(O)cn3)C2)C1 1839224045 MPHCLHKGPVJPAF-FOIQADDNSA-N 420.466 0.658 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cc4cnc[nH]4)C3)C2)cc1 1839361824 GYZJFQGZGAARJO-JOCHJYFZSA-N 423.473 0.788 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)N(C)CC)CCO2)C1 1839644058 PAWBBFIUDJGZFE-QAPCUYQASA-N 403.470 0.994 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)C2)C1 1839805868 URLNMNPJZWMHTN-NRFANRHFSA-N 421.494 0.476 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1839839850 OKPOMFQOSILVRT-QRWLVFNGSA-N 404.467 0.767 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)n3)C2)C1 1839841448 RRSQOENZSAQLPO-ORAYPTAESA-N 406.439 0.170 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CNC(=O)C3)CCO2)C1 1839870426 LYCLMZPQRRLKFP-CSODHUTKSA-N 405.495 0.347 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1840171090 OBFIBSMCGNQDBE-CTNGQTDRSA-N 404.463 0.761 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3nn[nH]c3C(F)(F)F)C2)C1 1840174237 QERKOSCUQLMNJH-HNNXBMFYSA-N 403.361 0.470 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840274370 DKVMJXVDBANMRF-JSNHQESWSA-N 424.538 0.567 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc(C)s3)CCO2)C1 1840398247 VWGMEKFDXKAGLW-MGPUTAFESA-N 421.519 0.489 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@]3(COCCN(C(=O)C(C)(C)C#N)C3)C2)c1 1840400644 BDDJKBYICOWEKR-OXJNMPFZSA-N 403.483 0.759 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccc5ncnn5c4)C3)C2)CCC1 1840814177 RWIITSFDLYLXAS-NRFANRHFSA-N 424.461 0.493 30 20 HCED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)n(C)n1 1840814442 JGINURFMVAMFFK-OAQYLSRUSA-N 415.494 0.746 30 20 HCED Cc1cnn([C@H](C)C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)c1 1840816542 ZOCCSIKDVPYEHH-DYESRHJHSA-N 415.494 0.903 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3n[nH]c4c3CC[C@@H]4C)C2)C1 1840841983 GLUUUQSYFDLJKF-BTYIYWSLSA-N 400.479 0.943 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCCSc2ccc(C)cc2)c1=O 7837388 MZKOCSBGOKBMTJ-UHFFFAOYSA-N 416.503 0.761 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 46229705 BZAGMTMQVMXGMR-UHFFFAOYSA-N 414.510 0.639 30 20 HCED N#CC1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 60893530 OLEUNEFEVMMCBU-UHFFFAOYSA-N 406.508 0.559 30 20 HCED C[C@H]1CN(Cc2ccc(CNS(=O)(=O)N3CCO[C@H](C#N)C3)cc2)C[C@@H](C)O1 409598461 OKZSSKVWKLKTOC-JTDSTZFVSA-N 408.524 0.855 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)n1 426933276 RZVUGQMOPVVTQB-DGCWBMGLSA-N 422.445 0.901 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1SCCC#N 429925272 ZTPHADSSGWXWMW-UHFFFAOYSA-N 413.525 0.579 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3n[nH]c(C)c3C#N)CC2)cc1 431662385 QEYWMANXVUOQJG-UHFFFAOYSA-N 402.480 0.843 30 20 HCED CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCO1 433890369 KARSXIKGLGZXJR-GFCCVEGCSA-N 402.270 0.846 30 20 HCED N#Cc1cc(F)ccc1NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 435155768 PZRQCTWCLYNALT-UHFFFAOYSA-N 411.459 0.860 30 20 HCED C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCO[C@@H](C#N)C1 436124488 IRJFKQQPBBZRGM-ZBFHGGJFSA-N 408.480 0.259 30 20 HCED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 437159859 IKTFGWYRXTYTLI-UHFFFAOYSA-N 406.442 0.737 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)ccc1OC(F)(F)F 443285220 SKLFGECMIMZMEG-PWSUYJOCSA-N 400.313 0.544 30 20 HCED C[C@H]1CN(C2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CCO1 460598651 NDZOIQBRACTQPG-HNNXBMFYSA-N 423.477 0.789 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2OC(F)F)c(=O)n1C 464986917 SOWLOYGWVIEDTD-UHFFFAOYSA-N 423.441 0.622 30 20 HCED N#Cc1cccn(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1=O 467205286 GUYXUUIUAMMBFX-UHFFFAOYSA-N 404.423 0.392 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 470949481 WTSLPTORTDRVCP-QZTJIDSGSA-N 404.492 0.845 30 20 HCED COc1ccc(N2C(=O)C[C@@H](N3CCN(c4c(C#N)c(C)nn4C)CC3)C2=O)cn1 472094818 GAIKIFYBONPQOV-MRXNPFEDSA-N 409.450 0.458 30 20 HCED CCN(CCCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)S(C)(=O)=O 472105076 ZFPIJFCTQUBDBP-UHFFFAOYSA-N 411.532 0.103 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(Br)ccc1OCCOC 477948087 WNTDQXYAGCABMT-UHFFFAOYSA-N 414.256 0.831 30 20 HCED Cn1c(CC#N)nnc1Sc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 480822310 HNJSBQJZEZIFTA-UHFFFAOYSA-N 424.464 0.961 30 20 HCED CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481248168 WLSFDGJFQIQENA-CJNGLKHVSA-N 424.548 0.993 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC 481580259 SBGMIOHJVICCQL-MRXNPFEDSA-N 412.464 0.182 30 20 HCED C=CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 489025007 MXJUUKZLYIIKIK-AWEZNQCLSA-N 411.483 0.917 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC)cc1 493529269 QJSICQOHAYRHCV-SWLSCSKDSA-N 415.537 0.660 30 20 HCED CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1=O 497853892 SFJQBWYUWILBOS-RBUKOAKNSA-N 410.522 0.935 30 20 HCED N#CCN1CCC(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)CC1 501027646 YPJGAGJDOUZABO-UHFFFAOYSA-N 400.888 0.718 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)cn1C 512173487 XRHAPHGJLYYKJB-UHFFFAOYSA-N 419.482 0.935 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)C3CCN(S(N)(=O)=O)CC3)CC2)nc1 512313375 KGPMRYAJZNLJKS-UHFFFAOYSA-N 407.496 0.675 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 512488701 BCYFJZPRHLZINQ-GOSISDBHSA-N 407.540 0.913 30 20 HCED N#C[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C[C@]12C(=O)Nc1ccccc12 513667318 SWVQHWXHAYKVRE-AOMKIAJQSA-N 407.474 0.413 30 20 HCED CC(C)[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1nnc2ccccn12 519731133 WIRPQELAECGXNK-MRXNPFEDSA-N 423.481 0.811 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2(C#N)CCSCC2)c1 534463333 YEBUMXOXBQDQQZ-UHFFFAOYSA-N 412.537 0.784 30 20 HCED CNCCCc1[nH]nc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)c1C#N 534791115 NFPOTCCFUNIARE-UHFFFAOYSA-N 406.468 0.602 30 20 HCED C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 538594589 DEQMMCHICVZEBS-UHFFFAOYSA-N 408.524 0.959 30 20 HCED CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1 540016815 DDIOFNAUIRZEJB-CQSZACIVSA-N 408.480 0.824 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3nnnn3-c3ccccc3)CC2)o1 542573254 GBCGLXCSZSFMQL-AWEZNQCLSA-N 421.465 0.830 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2OC)s1 547415822 GUGJCLAXNJQYHG-UHFFFAOYSA-N 408.461 0.791 30 20 HCED CCN(CC)CCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 550311537 GCDPCVNFSPANPJ-UHFFFAOYSA-N 414.466 0.913 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n(-c2ncccn2)n1 551064699 KMQSSWOOKLRGCR-OAHLLOKOSA-N 418.417 0.856 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)CC1 553672362 SAOMUQFUYKLBFR-UHFFFAOYSA-N 400.527 0.899 30 20 HCED CNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 554149726 BKUCSALPZRGBAI-CQSZACIVSA-N 403.458 0.671 30 20 HCED CCN(C(=O)[C@H](C)N1CCN(c2cnccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 562361489 ANZPBPMBWBYRNH-DOTOQJQBSA-N 405.524 0.499 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 568793518 RGNMTFHWGNGQJK-UHFFFAOYSA-N 401.448 0.572 30 20 HCED CO[C@]1(C)C[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1(C)C 571272476 ITQZGSCPAKFALC-MGPUTAFESA-N 402.499 0.569 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1)C(C)C 584520771 ZNLJTZLMFNPESV-DLBZAZTESA-N 414.572 0.341 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCC(C(=O)N3CCSCC3)CC2)C1=O 586842017 ITCFEFAIKPHKNM-UHFFFAOYSA-N 422.507 0.214 30 20 HCED CN(C[C@@H](O)CNC(=O)COc1ccccc1C#N)C(=O)COc1ccccc1C#N 590564644 ALMCGBNKBALIEK-SFHVURJKSA-N 422.441 0.823 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2csc(C)n2)c1=O 590897284 JFXBYRFTIGNECK-UHFFFAOYSA-N 418.544 0.907 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1 604530916 NDOVDDFCDCSGJW-MRXNPFEDSA-N 407.517 0.997 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnn(-c2ccncc2)c1 610870315 ZCFAQSMPDPQWRL-AWEZNQCLSA-N 417.433 0.605 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN([C@@H]3CCOC3)CC2)CC1 611431482 RTTPSWWNEGAVKC-RTWAWAEBSA-N 415.513 0.941 30 20 HCED C[C@@]1(c2cccc(C(N)=O)c2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 727656174 ODROPZALIPZYAK-NRFANRHFSA-N 405.414 0.741 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 728573486 PHNYWQCTHXIDOT-UHFFFAOYSA-N 408.506 0.795 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 732467141 VSNXVRMHHGDHLD-ZCXUNETKSA-N 414.422 0.953 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 732496315 RAPVJKZXQQTKFE-PKOBYXMFSA-N 404.426 0.955 30 20 HCED COC(=O)CN(CC#N)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 737859890 HTYWKUTVYGRFJB-UHFFFAOYSA-N 406.464 0.811 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 742066012 WGKZTCGJBBQAMV-QHCPKHFHSA-N 410.518 0.823 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(NC(N)=O)CC1 747991367 WQFPRIZOGFFHBR-HNNXBMFYSA-N 421.523 0.943 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 747993461 KMGUVGRYMVNGJA-UHFFFAOYSA-N 400.410 0.637 30 20 HCED CC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749740251 AGLGETJHZTWTMJ-JEEMYIIMSA-N 410.496 0.715 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(Cc3nc([C@H](C)OC)no3)CC2)CC1 750060305 PHEPJAZERACSIR-KRWDZBQOSA-N 404.515 0.062 30 20 HCED C#CCN1CCN(C(=O)CN2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)CC1 750060310 PHEPJAZERACSIR-QGZVFWFLSA-N 404.515 0.062 30 20 HCED COC(=O)[C@H](OC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 751643836 TYMOZSVBUGLMHE-OAHLLOKOSA-N 408.370 0.575 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 752163532 ZUEIQSHUQKHKPR-GUYCJALGSA-N 403.435 0.918 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758364529 YVMZAKBUCLEIRQ-UONOGXRCSA-N 417.532 0.716 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1C 758587256 WETTUVAVHWAILV-UHFFFAOYSA-N 406.533 0.682 30 20 HCED CC#CCN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 762512555 RDFDENDCMIWOGA-SHUBJWRZSA-N 408.505 0.293 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H]1CCN(c2cnn(C)c2)C1=O 767626530 ICHXKKYIGXQNKK-BLLLJJGKSA-N 417.447 0.307 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1 770418752 WVJJBKVEJMPEOE-UHFFFAOYSA-N 420.539 0.664 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)[C@H]1CCCO1 773794825 JCOHYNFDTNOEFO-GOEBONIOSA-N 409.439 0.601 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 781992175 YGFVVVSGPLPQQH-CYBMUJFWSA-N 420.491 0.989 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2ccc3nc(O)[nH]c3c2)C1=O 783358975 XKSSPWXNJIHKSR-SECBINFHSA-N 415.362 0.116 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)n1 789786844 ALFSZOXZGCORMI-UHFFFAOYSA-N 423.433 0.105 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)cn1 791188413 KKZQWTAFTYWCNK-IBGZPJMESA-N 403.446 0.722 30 20 HCED N#Cc1ccnc(N2CCC[C@H](OC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)C2)c1 791976026 PBRVBBKSVZAALL-OHIZHGFFSA-N 410.430 0.628 30 20 HCED CC[C@@](C)(C#N)C(=O)OCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 803785766 SQWFTMMYDCSCSC-OALUTQOASA-N 402.407 0.976 30 20 HCED CC(C)(C)OC(=O)N1CC(NS(=O)(=O)Cc2ccc(C#N)cc2F)(C(N)=O)C1 805077554 AYBXREJAAXBEGF-UHFFFAOYSA-N 412.443 0.592 30 20 HCED COc1cc(C#N)ccc1OCCOC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 805435292 DMBWJBXAGLBIMS-UHFFFAOYSA-N 422.463 0.899 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)[C@H]1CCCO1 809313783 VDZPEUUFMBELFH-NHCUHLMSSA-N 412.534 0.560 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCCN(c3ccnc(N)n3)C2)cc1 810769716 JHOGAAPTBIKEDU-HNNXBMFYSA-N 415.475 0.796 30 20 HCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cccc(C#N)n2)C1=O 811253438 DRSXFXVBGQOOIU-FQEVSTJZSA-N 407.386 0.999 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2O)cc1 812363089 SVPQYDAERWPDKG-UHFFFAOYSA-N 423.472 0.464 30 20 HCED O=C1CN(S(=O)(=O)c2ccc(C(=O)N(O)Cc3ccc(F)cc3)cc2)CCN1 901375178 DZIXILCLALVAKV-UHFFFAOYSA-N 407.423 0.978 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1=O 913061930 NXVSRVKNXKYIMG-QGZVFWFLSA-N 402.426 0.714 30 20 HCED Cc1n[nH]cc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918267817 ZUVIABDAJATSCJ-XQNSMLJCSA-N 418.479 0.786 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(c(C(=O)O)c1)OCCO2 919728173 NARLPWAFOWWNHO-NSHDSACASA-N 417.461 0.520 30 20 HCED CON(C)S(=O)(=O)c1cccc(C(=O)N=C2NS(=O)(=O)c3ccccc32)c1 1115866445 XCBMRCQLRIZNEW-UHFFFAOYSA-N 409.445 0.747 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)N(CCC#N)CCN3CCOCC3)c2C1 1116773723 VTEPGSKRXGEWNV-KRWDZBQOSA-N 402.499 0.270 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1136575320 ROHVXTBUBZDCJZ-IRXDYDNUSA-N 403.458 0.492 30 20 HCED CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1154571443 RTTHMIFIQQNCRW-UNEWFSDZSA-N 423.491 0.842 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1302955096 XWXDWTXNDZRMMB-LPHOPBHVSA-N 422.555 0.203 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cn2ccsc2n1 1303411472 PCYGEWZIIQUUDL-ZDUSSCGKSA-N 400.468 0.903 30 20 HCED COc1ccc(C[C@@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OC 1312118686 JWNZWQQVSKTKIY-GFCCVEGCSA-N 401.423 0.768 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1C[C@H]1CCOC1 1322078994 BBISBZXEGFSUFU-CQSZACIVSA-N 411.487 0.049 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 1470880766 QZDYBOYWXSOBSN-CXAGYDPISA-N 402.480 0.132 30 20 HCED Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1492707333 RZNNVHGJGPDHEJ-HIFRSBDPSA-N 422.515 0.212 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)CCO1 1521129963 PVYLIQDZEQPFGX-GFCCVEGCSA-N 420.376 0.784 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1568985676 IQCHBOKEJPSLDO-UHFFFAOYSA-N 414.491 0.787 30 20 HCED COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1cc(C#N)c(SC)nc1O 1570121996 XDOZBMDJRVFXIV-CABZTGNLSA-N 424.504 0.964 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2=O)cc1 1626533462 JHSXSKVUWZPEGQ-OAHLLOKOSA-N 407.434 0.772 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@](O)(CC#N)C3)c2)C[C@@H](C)O1 1630966891 WBXUDTCRDLNXIH-KHYOSLBOSA-N 407.492 0.975 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC(C)(C)CC#N)CC2)C[C@@H](C)O1 1673509587 VTIJRUPVRDQRFY-GASCZTMLSA-N 401.533 0.607 30 20 HCED Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNS(C)(=O)=O)cc1 1724438004 IUNRUCPCWLEHEP-INIZCTEOSA-N 420.495 0.444 30 20 HCED CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCOCC2)CC1 1761554516 PGOLGLFRXGCWTI-HNNXBMFYSA-N 415.498 0.608 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2 1778053168 GVOVHRHOPIMHDD-MIZPHKNDSA-N 410.518 0.879 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)c4cccc5c4NC(=O)C5=O)C3)C2)CC1 1778707667 BJUZEWGCNCOIDB-OAQYLSRUSA-N 408.414 0.569 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)Cn3ccnc3)CCO2)C1 1778973507 GLMLANNFTGRGGS-WWMYMODYSA-N 404.511 0.922 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779014858 KECQZBVGFHDNAS-PCPJIXQOSA-N 405.543 0.772 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)CCCn1ccnc1)CCO2 1779020064 GEGWDKFBHQORAE-VQYZLWMVSA-N 416.526 0.965 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cc1cnccn1)CCO2 1779100056 RUZIOJLUUMZUFF-KTFKWIISSA-N 417.466 0.378 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CCO[C@]4(CCN(C(=O)c5cnc(O)[nH]5)C4)C3)c2c1 1779646067 VVPGVALWLYWQET-FQEVSTJZSA-N 421.417 0.621 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(CC)COC2)C1 1781644389 YLBMUHGFCCTPHI-GUEKAFECSA-N 419.522 0.785 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781963180 HCYSJZUKOUTWOV-OXJNMPFZSA-N 417.441 0.588 30 20 HCED CN1CCCn2nc(C(=O)N3CC[C@@]4(CN(C(=O)C#CC5CC5)CCO4)C3)cc2C1 1782560178 TUJDPFPZBPHMOW-JOCHJYFZSA-N 411.506 0.576 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1)n1ccnn1 1782752182 FQECJCFSEJZOBS-IIBYNOLFSA-N 408.462 0.783 30 20 HCED CCC1(C(=O)N2CC[C@]3(CN(C(=O)C#CC4(O)CCCCC4)CCO3)C2)COC1 1782948688 JSUFDKXADOTYDR-QFIPXVFZSA-N 404.507 0.942 30 20 HCED CC(=O)NCCC(=O)N1CC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1783190435 JVKWIJLRVCEHPO-NRFANRHFSA-N 414.462 0.293 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1 1783584789 GYZBDBOBWDCIKN-YRKYUTSNSA-N 421.494 0.913 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@](C)(O)CN3C(=O)OC(C)(C)C)C2)C1 1783644547 GVJBQTVYGPOJRR-ONGXBYRLSA-N 421.494 0.210 30 20 HCED Cc1cn2c(=O)c(C(=O)N3CCO[C@@]4(CCN(C(=O)[C@H](C)S)C4)C3)cnc2s1 1783893801 OMGIIEXLMGIPAN-KPZWWZAWSA-N 422.532 0.826 30 20 HCED N#Cc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)CSCC(=O)O)C3)C2)cc1 1783958085 AHPBMXQZCOWHEN-LJQANCHMSA-N 403.460 0.820 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(CCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1784309091 SEAQYEWHKMUBIA-PNJIQADMSA-N 400.483 0.725 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Cn3ccnc3)C2)C1 1784503439 ZFLURXURYNWHLB-UWJYYQICSA-N 418.494 0.859 30 20 HCED C/C(=C/C(=O)N1CC[C@@]2(C1)CN(C(=O)/C=N/O[C@H]1CCCCO1)CCO2)C(=O)O 1785414178 XHFCOXPMUUCYSP-UKUSSYIWSA-N 409.439 0.376 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)C2)C1 1785612505 HQZOSTJPBWQXIP-QRWLVFNGSA-N 409.483 0.114 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cccc(=O)n4O)[C@H]3C2)c1 1785631622 TZABXFUEZGUSND-LNLFQRSKSA-N 422.441 0.864 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785844926 GEWCQQIBQAVULN-HOSILWTGSA-N 405.455 0.576 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)[C@H]1CCCO1 1787128572 STXJYZJWABAYQQ-KXFSNUTRSA-N 409.483 0.674 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn(C)nc3C(F)F)[C@H]2C1 1787732339 QXAFFHOOLXEGIC-YXWQFLTLSA-N 424.448 0.989 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@]3(F)CCN(C(=O)OC(C)(C)C)C3)[C@H]2C1 1788227213 PVIUTBJNJQTIIG-VCAMNPENSA-N 423.485 0.948 30 20 HCED 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N#CCc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cnc[nH]4)CCO3)C2)cc1 1836488294 LNHCYCRTRQJSBX-QFIPXVFZSA-N 423.473 0.788 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3n(n1)CCCO3)CCO2 1836973654 YUJOUAJPKLRMJY-FQEVSTJZSA-N 402.451 0.149 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836996041 HKQOGTLAIHIFGS-CQSZACIVSA-N 423.535 0.618 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(CC)on3)C2)C1 1837399656 YQWKIVFGGJNMSE-DYESRHJHSA-N 421.494 0.880 30 20 HCED CS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1837771431 WKVOGRSZTVNVID-UHFFFAOYSA-N 411.524 0.723 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@@H]3C[C@@]3(F)Cl)CC2)CC1 1838774117 MQSFPUVYEFNCGC-KSSFIOAISA-N 400.834 0.998 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3csnn3)C2)C1 1839173107 AFMYIBYRQXQEDL-SFHVURJKSA-N 424.479 0.118 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)c(F)c3)CCO2)C1 1839302764 KYVNPTZABCGFQU-BTYIYWSLSA-N 420.437 0.640 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1840129518 XHBQPJCVGNMFQW-KKSFZXQISA-N 422.526 0.340 30 20 HCED CCOc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)nn1 1840162482 YIRCMSISKLUBBZ-ACJLOTCBSA-N 410.496 0.264 30 20 HCED CO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1840210740 NWPIAFGZFZRBRD-IIBYNOLFSA-N 401.463 0.858 30 20 HCED CS(=O)(=O)c1cncc(C(=O)N2CCCC23CN(C(=O)c2cc(C#N)c[nH]2)C3)c1 1842189508 NOKWIFGRJRUMOQ-UHFFFAOYSA-N 413.459 0.816 30 20 HCED N#CC1(C(=O)N2CC3(CCCN3C(=O)c3ccc(-n4c(O)nnc4O)cc3)C2)CC1 1844739251 KPLZFGLCEQNHLB-UHFFFAOYSA-N 408.418 0.799 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC2(CCCN2C(=O)[C@H](C)ON=C(C)C)C1 1845256131 JTLZZEBCAOLLLZ-WMLDXEAASA-N 418.498 0.461 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1 1845582003 FOISQBKGVTUGOZ-CYBMUJFWSA-N 406.446 0.942 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1 1847262969 QCZVNDUBGKUUPE-LUNKNMTDSA-N 414.418 0.974 30 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1=O 462020748 PXXRZOSQMOMMDU-MRXNPFEDSA-N 419.449 1.498 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 464624970 RRAFSCZCVKJCSP-HKUYNNGSSA-N 420.535 0.748 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 465276320 RAZJWCCXSAYISN-HNNXBMFYSA-N 424.486 0.872 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 467141249 IHRRWNHIPWMPAS-UXLLHSPISA-N 422.445 1.186 30 20 HCED C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468276685 AEUWVYGHRJIQJE-BGTOTAHLSA-N 422.485 0.946 30 20 HCED CC(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)C(=O)N(C)Cc1nnc2n1CCC2 471011559 JFUZXDRHMNCWAR-UYAOXDASSA-N 401.515 0.605 30 20 HCED Cc1nc([C@H]2CCCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)C2)n[nH]1 473297811 CFPDRTGQAPWKDL-INIZCTEOSA-N 419.449 0.969 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 473859918 PSHGCOVOQNXRPN-IRXDYDNUSA-N 404.492 0.589 30 20 HCED N#CCc1ccc(NC(=O)CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)cc1 477626020 FNIAJNFJTWXENK-UHFFFAOYSA-N 413.434 0.204 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1 480973945 VYEIHKVHEKIXOQ-FTLABTOESA-N 419.463 0.872 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)N1CCCC1 481252845 PBIHARIPUOBEJV-XJKSGUPXSA-N 422.532 0.749 30 20 HCED CCOC(=O)c1c(NC(=O)Nc2cnn(CC(N)=O)c2)c(C#N)cn1CCOC 481374755 OGMFZZPQWLFDQE-UHFFFAOYSA-N 403.399 0.509 30 20 HCED Cc1ccc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCC#N 482209204 ISDUYOKKILAUKO-UHFFFAOYSA-N 402.358 0.864 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(NC(C)=O)c2)CC1 491019610 PCQPQYAOJDGGPB-UHFFFAOYSA-N 417.466 0.039 30 20 HCED CN(CC(C)(C)C#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 497333606 JHZIQTLAAKGTQV-OCCSQVGLSA-N 410.452 0.727 30 20 HCED CN(C)S(=O)(=O)CCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 498034653 WEEFGOXUWBRORV-UHFFFAOYSA-N 404.496 0.656 30 20 HCED C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCOC1 500217499 IPPUTRBMYZXTQS-DOTOQJQBSA-N 406.508 0.406 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccsc2)c1=O 501762199 MAMKMOQSYZOLDT-UHFFFAOYSA-N 417.512 0.706 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)n1 508351410 VYPGCECBYZQYNJ-UHFFFAOYSA-N 419.449 0.890 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2cc[nH]n2)cc1 508736911 MOMHTEUVXHZGOI-UHFFFAOYSA-N 406.468 0.768 30 20 HCED C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508894147 KCCWMMOPBSZMGK-HNNXBMFYSA-N 419.445 0.933 30 20 HCED COC(=O)CN(CC#N)C(=O)c1cc(C)cc(C(=O)N(CC#N)CC(=O)OC)c1 510260533 VOHDIJYLUCPPEZ-UHFFFAOYSA-N 400.391 0.273 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(NC(C)=O)c2)CC1 514874994 AZNJSEXPABRRFK-HNNXBMFYSA-N 415.494 0.269 30 20 HCED N#Cc1ccc(N2CCC(N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)CC2)cc1 515093307 HEORBGUMWUQPFV-PMACEKPBSA-N 404.536 0.614 30 20 HCED N#Cc1cc(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)ccc1Cl 520895996 CIXNTGVOMFQOKR-HNNXBMFYSA-N 424.910 0.273 30 20 HCED N#CCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 525330233 KERDADQOVSYKAZ-UHFFFAOYSA-N 400.551 0.767 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1Cc1ccon1 532448147 PZZWJQCQTJCTEV-UHFFFAOYSA-N 406.876 0.910 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1 537068441 CLQVWNVHHKMIJV-HOTGVXAUSA-N 402.451 0.293 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)n1 539159019 DCHFXLBJHQBULR-UHFFFAOYSA-N 419.463 0.873 30 20 HCED C=CCN(Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1)[C@H](C)c1cccc(-n2cnnn2)c1 540066638 SDIAQVRRTDSFPL-CYBMUJFWSA-N 421.465 0.685 30 20 HCED COCCN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1=O 540589695 ZIGXKNUYYHRTRU-MRXNPFEDSA-N 405.524 0.248 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)n1 541365265 QNJBUFUYXXGHME-INIZCTEOSA-N 409.450 0.977 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 547417596 SSQFGVMISOKUJZ-WRFANHODSA-N 408.414 0.429 30 20 HCED CCS(=O)(=O)c1ccc(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)cc1 553891546 NBSCGZRMVNBTFZ-UHFFFAOYSA-N 403.464 1.384 30 20 HCED CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 559598686 UQPBWQIHJHIRPN-UHFFFAOYSA-N 417.285 0.703 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@@H](N3CCNC3=O)C2)n1 565452622 INPACWBCRVISKI-CYBMUJFWSA-N 408.422 0.094 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 566701076 UNMTVJZYHYWMSZ-FHLIZLRMSA-N 414.462 0.038 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCC(C(=O)N2CCN(C(=O)C[C@](C)(O)C=C)CC2)CC1 566945548 HWEYLIBVIKWAPW-FGZHOGPDSA-N 421.538 0.550 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 572431577 VARNQNBAPYNHEC-LLVKDONJSA-N 403.888 0.830 30 20 HCED CN(C)CCN(Cc1ccccn1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 581102292 IMCGRQGWCGLHPZ-UHFFFAOYSA-N 401.492 0.822 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](CO)Cc2ccc(F)cc2)c1 582331616 XLBLCMUCHBAICU-MRXNPFEDSA-N 405.451 0.943 30 20 HCED COc1cccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 586840532 GZONHVWZCBCWRD-UHFFFAOYSA-N 410.434 0.792 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)c1cccc(C#N)c1 587672931 FSQZNKMSZRYYLD-CABCVRRESA-N 418.461 0.910 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 588126712 PPVLLYAKXYBCIX-HNNXBMFYSA-N 403.870 0.666 30 20 HCED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 590985041 ZKUFSUFJHFYZBF-UHFFFAOYSA-N 413.499 0.992 30 20 HCED C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 608890049 RBCMEXRMLOEWRM-QGZVFWFLSA-N 411.506 0.833 30 20 HCED N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 609101312 MIWMWXIMKRWDRD-FQEVSTJZSA-N 411.506 0.530 30 20 HCED COc1ccc(C(=O)N2CCC(NS(=O)(=O)N(C)CCC#N)CC2)cc1OC 609825001 UYPFLWZKJTXSNW-UHFFFAOYSA-N 410.496 0.988 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(COC)cc2)c1=O 610245039 BZDHVVQXVZBUNH-UHFFFAOYSA-N 401.488 0.342 30 20 HCED CN(CCN1CCCS1(=O)=O)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 610607170 AWEXFIQHDXKOCO-UHFFFAOYSA-N 416.406 0.592 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 618880073 BKXDDBIBPUPUAW-GOSISDBHSA-N 408.462 0.829 30 20 HCED C#CCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(I)cc2)C1=O 729641868 ADBLORGFKYEICU-HNNXBMFYSA-N 411.199 0.808 30 20 HCED COC1CCN(C(C)(C)CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 730789587 PPVJOPDFMXBFIW-UHFFFAOYSA-N 408.524 0.731 30 20 HCED C[C@@H]1Sc2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2NC1=O 732909114 YOUNIONQTPRPMH-CMPLNLGQSA-N 407.473 0.699 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 733148922 OMRCUNKCYWKNMU-GOSISDBHSA-N 404.417 0.742 30 20 HCED CN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 735586266 UFJCASXRXIMWEB-OQKWZONESA-N 423.539 0.896 30 20 HCED CC(=O)NC[C@@H]1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 742589124 NECILEPNHGNWOP-ZFWWWQNUSA-N 406.508 0.878 30 20 HCED COC[C@H](C)/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc(S(N)(=O)=O)c2)S1 743277191 LGUIJJBKJVIDLY-CABZTGNLSA-N 400.482 0.285 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2nccn2Cc2ccccc2)c1=O 743374966 GOIRWCYPNCEVFP-UHFFFAOYSA-N 422.489 0.878 30 20 HCED NC(=O)Cn1cc(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nn1 745469517 BFGYWTJECAJDLN-UHFFFAOYSA-N 409.324 0.107 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cnc(CC)s2)c1=O 752184250 BIQDGFKIRAYKFB-UHFFFAOYSA-N 420.560 0.994 30 20 HCED COCCN1C(=O)c2ccc(C(=O)NC3(C#N)CCSCC3)cc2S1(=O)=O 756028401 PKVUNHSIIXOWHJ-UHFFFAOYSA-N 409.489 0.997 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 757584214 WIWLKYSXMYNSFW-PQTQVYOHSA-N 414.462 0.669 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 758057790 HNJONNQQXSVSAH-CQSZACIVSA-N 411.483 0.206 30 20 HCED O=C(O)Cn1cc(/C=C2\C(=O)/C(=C/c3cn(CC(=O)O)nn3)CC[C@@H]2C2CC2)nn1 759082646 GQXKWBKXPRPFLD-SOUXACSJSA-N 412.406 0.895 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(-n4nccn4)nc3)CC2)n1 761094854 FEFMILBXBVLXRC-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc2c(c1)OCCO2 763452473 FYMHFOGUGBDGDE-UHFFFAOYSA-N 422.466 0.258 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1 767880535 KBSINPABGIFXIE-UHFFFAOYSA-N 412.496 0.621 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(CCSC)c2=O)cn1 772311019 JFSYQIGEFQATDO-UHFFFAOYSA-N 403.533 0.599 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)OC[C@@H](C#N)Cc2cccs2)n(C)c1=O 772742745 MNTRBPVTUHGJLQ-GFCCVEGCSA-N 401.448 0.811 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2cc(F)cc(C(F)(F)F)c2)c(=O)n(C)c1=O 772843447 HLNOZXBMZSDBSH-UHFFFAOYSA-N 408.333 0.554 30 20 HCED Cn1cc(S(=O)(=O)NN=C2CCCc3ccc([N+](=O)[O-])cc32)c(=O)n(C)c1=O 773070168 YBAJPLMQXVVLES-UHFFFAOYSA-N 407.408 0.011 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CC(N)=O)n2)cc1 782719846 CGECNFJELVTACX-JWGURIENSA-N 419.467 0.825 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1)[C@H]1CCS(=O)(=O)C1 783481623 QWMQOBBKAAVEGR-PBHICJAKSA-N 419.503 0.802 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl 783616651 OHKNMIDBSDCPQA-NSHDSACASA-N 409.917 0.509 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 784926347 YJUQBJCICZGFPQ-UHFFFAOYSA-N 410.474 0.405 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1 787570835 RPPHAAPDRINHEM-QWHCGFSZSA-N 409.464 0.856 30 20 HCED COc1ccccc1N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787757911 GRZRFMRMFJNJNH-UHFFFAOYSA-N 408.462 0.839 30 20 HCED C[C@H](OC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(C#N)CCC1 789114740 PLSQFFLESKWQFP-SJCJKPOMSA-N 406.439 0.096 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 796464302 NFJVQQPBISSZHI-UHFFFAOYSA-N 406.489 0.717 30 20 HCED C=CCc1cc(OC)cc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1O 798190769 KIHUJCMMAVJBEB-UHFFFAOYSA-N 403.479 0.632 30 20 HCED CN(CCC#N)C(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 802563619 TTWMVZYHXDWTKM-UHFFFAOYSA-N 417.470 0.844 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 803686769 PIYJUPLYTAFFCU-UHFFFAOYSA-N 413.522 0.132 30 20 HCED COCCNC(=O)c1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 806626538 ACXZYARBHJWYFU-FBMGVBCBSA-N 401.423 0.711 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)CC1 808294244 WEHIPUKNPVXELY-UHFFFAOYSA-N 420.535 0.224 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](N3CCCCC3=O)C2)cc1 810393092 MLRNYTGGAIMJGB-INIZCTEOSA-N 404.492 0.840 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 810773808 GTRMAEOISZIVJU-SECBINFHSA-N 413.249 0.903 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(F)ccc2OC)c1=O 812279383 QEOOMOPXSOOCGR-UHFFFAOYSA-N 413.474 0.966 30 20 HCED CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)NCCn1cnc(C#N)n1 812511454 DENSPHBTCATDPR-UHFFFAOYSA-N 413.504 0.315 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)CCNC(=O)OCc1ccccc1)n1cnc(C#N)n1 813977236 LEFBHIXZNVMJLE-LBPRGKRZSA-N 406.424 0.083 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 913555805 GLRRFFCWYGQESM-UHFFFAOYSA-N 412.471 0.591 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccc(OC)cc2)c1 918325730 AUPYIAGDCRJFMB-UHFFFAOYSA-N 415.471 0.767 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCn3cc(Cl)cn3)CC2)o1 919575521 QXTNWMYGVCWZKE-UHFFFAOYSA-N 406.830 0.987 30 20 HCED CCO[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CN=c1cc[nH]cc1C#N 1048012770 PKRDBHAKXOMZBS-HDHSKVTNSA-N 400.479 0.702 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCOCC2)CC1 1141869629 RJEZVDRMIQRYFH-MRXNPFEDSA-N 420.535 0.938 30 20 HCED CON1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1230205384 ONCCJIKUGBUKSE-UHFFFAOYSA-N 407.496 0.600 30 20 HCED CCC(O)(CC)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1292268543 UYYCDMDGYYSINZ-WFASDCNBSA-N 402.496 0.881 30 20 HCED CCCNC(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1313481335 QCXUJLUYLFDYHN-NVXWUHKLSA-N 401.515 0.875 30 20 HCED COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316108193 MVSNYLMHLPCOAL-KGLIPLIRSA-N 411.470 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407.467 0.953 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ncccc1Br)CCO2 1838074733 LQZUGYVSDQDJMN-QGZVFWFLSA-N 423.267 0.828 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)CN4CCCCC4)C3)C2)c1 1838734988 RRFXHMLVIIIQGZ-NRFANRHFSA-N 415.494 0.442 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CCN(c3ccccn3)CC1)CCO2 1839051670 BKNBPTWBUFARGP-QFIPXVFZSA-N 412.490 0.388 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1839224226 PFMQRKCACABHNN-HNAYVOBHSA-N 405.455 0.348 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)n1 1839362379 NXLAJXIJXJIACJ-QFIPXVFZSA-N 423.473 0.870 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3c(-c4ccncn4)noc3C)C2)C1 1839809368 ZQQHDFGYANSCKH-HXUWFJFHSA-N 411.418 0.143 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1 1839839132 VXALFYGTHBKWPU-YWZLYKJASA-N 406.483 0.263 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CCn3ccnn3)C2)C1 1839890424 ARQWLZPPWQYPMZ-KRWDZBQOSA-N 413.425 0.336 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@]13C(=O)Nc1ccccc13)CCO2 1840036293 BIARCHDSIRHUFN-USCONSEESA-N 424.457 0.266 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103424 AOHWEYNJKRVAQI-LAUBAEHRSA-N 423.510 0.046 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1840166765 AWCVXLGSHLDGJN-HXUWFJFHSA-N 402.451 0.486 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3ccnc3C)CCO2)C1 1840489418 UXSSYPOBUWKZPT-CSODHUTKSA-N 418.494 0.247 30 20 HCED CCn1nccc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812640 CCWAHLRDVXVGRZ-HXUWFJFHSA-N 401.467 0.667 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCSCC3)CCO2)C1 1840923073 MJBFLRWNSWWTII-OXQOHEQNSA-N 410.536 0.624 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)Cn2cncn2)C1 1843081904 SFFYXHWFEBNYOI-HNNXBMFYSA-N 416.482 0.398 30 20 HCED C[C@@H](C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)[C@@H]1SC(=N)NC1=O 1843404537 TULGWQBXZKGWLI-OLZOCXBDSA-N 420.539 0.274 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](COC(C)=O)OC(C)=O)C1 1844287442 WLFBGYACXIVFKD-INIZCTEOSA-N 424.450 0.194 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847136568 JUBHDHVZSLOFRX-KBPBESRZSA-N 423.441 0.625 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cnn(-c2cccnc2)c1 1847263035 VIDNPCLMPBVTRR-DSQZMVHQSA-N 420.473 0.941 30 20 HCED C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)[C@H]1CCS(=O)(=O)C1 57237905 KZBLHDRBRRUCKK-ZDUSSCGKSA-N 402.494 0.419 30 20 HCED CN(CC(=O)NCCC(=O)NCc1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 65906617 ZAPUYUVXEKBZNP-UHFFFAOYSA-N 415.475 0.396 30 20 HCED CN/C(=N/CC(=O)N1CCC(Cc2ccccc2)CC1)NCCN1CCOCC1 304481419 ILKVNYDALLGCLP-UHFFFAOYSA-N 401.555 0.965 30 20 HCED CC(C)[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C(=O)N(C)Cc1nnc2n1CCC2 410414631 QVXKNEGTQBCCMW-CZUORRHYSA-N 411.532 0.133 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 433529146 QWPGIYMTQLWLKS-UHFFFAOYSA-N 423.404 0.524 30 20 HCED COc1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)sc1S(N)(=O)=O 442262988 HMJGHFXPGHWTRW-UHFFFAOYSA-N 407.477 0.633 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(F)ccc2OC)c1=O 461745507 KCYKLWCPBUNEGQ-UHFFFAOYSA-N 416.474 0.948 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1cccc(C#N)c1 461893359 FKJVGJJIWLYFCO-INIZCTEOSA-N 405.524 0.298 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 461977162 LRVXBBQVCOLDNW-UHFFFAOYSA-N 406.420 0.954 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)c2)nn1 463827526 OKFVSRWWHUQGTM-UHFFFAOYSA-N 400.370 0.847 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)Nc1cc(Cl)ccc1C#N)C2 467289295 SNQUMLGJZCDVSP-UHFFFAOYSA-N 417.857 0.112 30 20 HCED C=CCNC(=O)CNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 468345440 FUIIMBRCDRUWCK-UHFFFAOYSA-N 419.507 0.488 30 20 HCED Cc1ccn(C[C@](C)(O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)c1 468380101 SKFMMVBEAIYSJH-GCJKJVERSA-N 408.458 0.697 30 20 HCED CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@H](C#N)c1ccc(Cl)cc1 469355889 BFVCTEZHQFXLNG-CQSZACIVSA-N 400.888 0.855 30 20 HCED C=C(C)CN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 476553567 WACAZHJVUYDCRP-CQSZACIVSA-N 408.524 0.609 30 20 HCED Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(CCC#N)CCN1CCOCC1 480533115 ZLALYPBUMBPVBY-UHFFFAOYSA-N 412.560 0.298 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1 481033917 KNSKXFBPIAVHLR-STQMWFEESA-N 414.509 0.905 30 20 HCED C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccco1 481487942 DRTRAAUPHMBIMG-STQMWFEESA-N 404.448 0.639 30 20 HCED COCCCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481509709 KRPKEUSLHSRLPD-OAHLLOKOSA-N 408.524 0.842 30 20 HCED C=CCOC[C@@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OC 481603525 ZFGVIUIPIWGCAZ-CYBMUJFWSA-N 405.494 0.729 30 20 HCED COC(=O)CCc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 482206221 DVYBMDYOUQRELT-SNVBAGLBSA-N 423.476 0.821 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2C[C@H](O)COc2ccc(C#N)cc2)cn1 482972225 AGNXNHHVCQTNQN-PKOBYXMFSA-N 404.492 0.986 30 20 HCED CCN(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 488262606 KEZROAHHYDCUBF-IRXDYDNUSA-N 404.492 0.878 30 20 HCED N#Cc1c(CCCNC(=O)N[C@H]2CCS(=O)(=O)C2)nn(-c2ccc(F)cc2)c1N 503463036 FMTQURAKCABANA-ZDUSSCGKSA-N 420.470 0.884 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 504124616 LMUUKJMWDJGDML-HIFRSBDPSA-N 413.521 0.651 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)C2=O)cc1 508102679 DGVORJZEXWOLSZ-HNNXBMFYSA-N 403.402 0.625 30 20 HCED C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)OC)C1 508474686 VXZPUEAXVXGWTN-HNNXBMFYSA-N 406.464 0.913 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2n[nH]c(C)c2C#N)cc1 508738026 PPZJAYBCBFKGOE-UHFFFAOYSA-N 418.479 0.989 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CC(=O)OC)C1 508965842 XLUFFEGMUOAGGX-INIZCTEOSA-N 410.438 0.875 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 510685348 OAEVDYWXRGJOPI-MRXNPFEDSA-N 421.461 0.857 30 20 HCED COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 513295022 VYISYARVBBZFPV-ZDUSSCGKSA-N 408.418 0.811 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H](C)S1(=O)=O 519729467 DYNCXKKPQNXSCP-TXEJJXNPSA-N 402.436 0.111 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc(C)c2)c1=O 522284448 MSXDMDBSOIOEHE-UHFFFAOYSA-N 415.515 0.520 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 532472324 BTIMTIHYRYVOCX-UHFFFAOYSA-N 403.508 0.910 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 536965708 KRTPOCVMDXBMRO-UHFFFAOYSA-N 420.420 0.885 30 20 HCED C=CC[C@H](CO)CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 540412877 BUSXGPNCUPPKRR-INIZCTEOSA-N 410.540 0.607 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(N)=O)C3)n2C[C@H]2CCOC2)cc1 549634409 FCTCPGSPBZYBDE-NVXWUHKLSA-N 412.450 0.456 30 20 HCED CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 551078719 UVXYKQLBZLKXPD-UHFFFAOYSA-N 409.240 0.576 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cnc(CC2CC2)nc1 568421676 JYEBRPHMCRZFTN-ZDUSSCGKSA-N 406.450 0.767 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 576674177 XSQLTSCXMCGCRD-UHFFFAOYSA-N 410.459 0.452 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 578939728 MNNUJTSIXUXXDS-QGZVFWFLSA-N 424.505 0.844 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCCN3CCC[C@@H]3C(N)=O)CC2)c1C#N 579048607 XNAMWEPUJZQJPA-OAHLLOKOSA-N 405.528 0.495 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4n3CCCCC4)CC2)nc1 583885878 MWEYTKSPVAPWLU-UHFFFAOYSA-N 408.466 0.236 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 588719923 YVHMUNALZQBRLK-UHFFFAOYSA-N 411.340 0.748 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1C 604564766 ZHXGRBPKFVZYQZ-UHFFFAOYSA-N 418.523 0.469 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)C1=O 606338416 CCBDJUDOXHJAIT-UHFFFAOYSA-N 418.837 0.488 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 609594711 AEMUPGVKPVGRBD-HNNXBMFYSA-N 404.496 0.691 30 20 HCED CS(=O)(=O)N1CCN(CCNS(=O)(=O)c2cccc(Cl)c2C#N)CC1 611015897 GXIHZROOYLOMOP-UHFFFAOYSA-N 406.917 0.067 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)nc1 729006793 JYNYOONOJSGSTJ-UHFFFAOYSA-N 418.409 0.594 30 20 HCED C[C@H](CC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742641902 DESRCPSNCYUXKM-DJIMGWMZSA-N 420.535 0.561 30 20 HCED C#CCCCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 742788137 LDRIMUPCMOPFBS-OAHLLOKOSA-N 420.940 0.951 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(C#N)c1C 745443398 DSSYYPAZCRWJHS-OFQRWPDDSA-N 415.402 0.801 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cnn(CC(=O)NC2CCCCC2)c1 747017363 PWVLHRIFQZSKJE-CYBMUJFWSA-N 405.455 0.889 30 20 HCED CC(C)CNC(=O)[C@@H]1CSCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 748751417 WOTPJZGURLTMEN-ZDUSSCGKSA-N 410.521 0.399 30 20 HCED C[C@](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)(C(N)=O)c1cccc(Cl)c1 749511281 RAMJEPNHAZMDBJ-GOSISDBHSA-N 420.878 0.895 30 20 HCED CC1(C)C(=O)Nc2ccc(S(=O)(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc21 756766231 TUUXLCMNPPAZTL-NXVVXOECSA-N 404.448 0.721 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1 763436810 MWZPPYIBWVQUIC-UHFFFAOYSA-N 422.510 0.893 30 20 HCED C#CCCOC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 765407097 APXLESOZTKQSDX-UHFFFAOYSA-N 410.430 0.621 30 20 HCED C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(=O)(=O)C1CCOCC1 765786032 ZEFWTQZHHHZLTC-KBPBESRZSA-N 415.512 0.940 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cn1 770853853 VXGKPXPPCJVLIC-UHFFFAOYSA-N 408.461 0.463 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 775046709 YOOSUYPYXIFMOA-FQEVSTJZSA-N 423.517 0.882 30 20 HCED C#C[C@H](NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 775795098 LUCLEFVJWIVTGV-RBUKOAKNSA-N 421.519 0.094 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](c3ccc(F)cc3F)C2)c1=O 777570902 YQRURQMNHDHRNN-KRWDZBQOSA-N 420.416 0.853 30 20 HCED CS(=O)(=O)c1nc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c2ccccn12 781603141 RAWODXQGVQUTPA-UHFFFAOYSA-N 422.419 0.867 30 20 HCED CC1(C)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CCO 781683481 VEAAUMVJIWHXGH-UHFFFAOYSA-N 408.524 0.420 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)NC2(C#N)CCC2)C1 784199877 QNYHTMPBWIJZPS-AWEZNQCLSA-N 424.479 0.798 30 20 HCED CN(CCCC(=O)OCC(=O)NC1(C#N)CCC1)C1=NS(=O)(=O)c2ccccc21 784230025 IVEQROCPPNNQIA-UHFFFAOYSA-N 418.475 0.953 30 20 HCED Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccc21 786913361 SHBJXSQZCABJKV-UHFFFAOYSA-N 412.475 0.655 30 20 HCED C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](CO)O1 787474562 DRCDJIBGYRUPCM-HUUCEWRRSA-N 409.508 0.894 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)c1cc[nH]n1 789960200 OGDLTUHPKDOJCZ-UHFFFAOYSA-N 401.423 0.963 30 20 HCED C[C@H](CC(=O)N1CC[C@H](N2CCCC2=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 791071925 CYJWAXMMUJQEMK-KGLIPLIRSA-N 404.492 0.727 30 20 HCED COCc1nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)sc1C(=O)OC 791339186 MCJKMZPLLMNKRW-UHFFFAOYSA-N 424.460 0.753 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2)nc1 794730139 JGZMJNWYSKBFKR-CQSZACIVSA-N 412.427 0.778 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 807375851 IHACLHFORPFLKP-KGLIPLIRSA-N 408.480 0.846 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccccc1S(N)(=O)=O 807526710 VKKKLNHLWNYLGY-UHFFFAOYSA-N 405.407 0.740 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@]2(C)CCOC2=O)c1 810477110 IJFHCXCKTFFKSO-MKYLKIGJSA-N 422.463 0.260 30 20 HCED C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 810781679 IGIJSGWKTLEBIW-UHFFFAOYSA-N 402.469 0.696 30 20 HCED Cn1cc(-c2nn(C)cc2C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)cn1 816127503 WOKZTAITWYRCLZ-UHFFFAOYSA-N 415.391 0.719 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1CC(=O)N(C)C 918729440 CUOYUWFLHXIGRF-UHFFFAOYSA-N 424.526 0.420 30 20 HCED COc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C(=O)O 1116295951 RHLHHEQVSDVKIZ-UHFFFAOYSA-N 403.416 0.748 30 20 HCED CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1291795148 OMYHAFMXPXAMQO-GJZGRUSLSA-N 403.487 0.548 30 20 HCED CC(=O)N1CCN(Cc2cccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)c2)CC1 1296536809 IWIBYCAKKGCNFI-UHFFFAOYSA-N 410.434 0.123 30 20 HCED COCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1315848275 WGVFMVFYAFQGKD-GJZGRUSLSA-N 404.471 0.401 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1320305414 RZOMYMQWXORLQN-UHFFFAOYSA-N 417.440 0.513 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(C)(C)N1CCN(C)CC1 1322631714 COMNYNXEYMHRCB-OAHLLOKOSA-N 407.540 0.367 30 20 HCED CCc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1S(C)(=O)=O 1343353987 GKKRBNDTKGXUPF-CQSZACIVSA-N 412.489 0.232 30 20 HCED Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C=NNCCCN1CCOCC1 1344575155 YZWKTSAJLYGHGE-AWEZNQCLSA-N 403.936 0.850 30 20 HCED COc1cccc(NC(=O)[C@H](C#N)C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1 1347064045 QLBGVGSYTSKLFL-OAHLLOKOSA-N 407.386 0.602 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CC3CCN(S(C)(=O)=O)CC3)CC2)c1C#N 1459033433 JQBWEEVFALMQJI-UHFFFAOYSA-N 408.528 0.311 30 20 HCED CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1502239759 PYDJLUSTJKFLFY-UHFFFAOYSA-N 420.481 0.938 30 20 HCED CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1548319142 KUWCUTXTALDDHX-CQSZACIVSA-N 415.541 0.355 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)CC1 1560136611 YGDXKOFUSKPXPB-ROUUACIJSA-N 423.558 0.592 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1616925219 WKOPVFSGIKQCEN-RDJZCZTQSA-N 422.555 0.816 30 20 HCED COC(=O)[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1Br 1632535949 YZMMYHSECUWEEO-ZDUSSCGKSA-N 421.207 0.614 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](S(N)(=O)=O)C3)CC2=O)cc1Cl 1636447850 LZJFEPQXMHDPIN-JSGCOSHPSA-N 410.883 0.844 30 20 HCED Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1693546859 QMYVMZNPMOBZCR-UHFFFAOYSA-N 403.512 0.676 30 20 HCED C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1693872137 MDFSXDJVJFVART-LIRRHRJNSA-N 417.491 0.591 30 20 HCED C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722551492 ZOSOGYHHTCHNSS-NWDGAFQWSA-N 402.908 0.500 30 20 HCED CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)nc1 1766430030 XKTZAELWSQQKFI-QGZVFWFLSA-N 413.482 0.823 30 20 HCED Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1769044614 IXTJQAJULQTETO-LSDHHAIUSA-N 404.496 0.980 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(F)(F)F)CCN1C1CC1 1770747270 HMQQXLLFRNONLD-AAEUAGOBSA-N 418.445 0.919 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1(O)CCCCC1)C2)[C@@H]1C=CCN1 1777973185 BFDZEXMREQIHIA-NNMXDRDESA-N 415.534 0.727 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CNC(=O)c3ccco3)CCO2)C1 1778969360 ISXZVESDVDPSJE-IIBYNOLFSA-N 419.478 0.412 30 20 HCED CCOC(=O)C1(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)CC1 1779021332 NEJHSUDZVOQOQJ-YRXLECQKSA-N 420.510 0.631 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1cncn1 1779066872 JPZVXLYPSVKIEE-LAUBAEHRSA-N 415.494 0.368 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(C#N)c[nH]2)C1 1780181113 QYGCEOLLPSBYIE-CSODHUTKSA-N 413.478 0.635 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)cc1 1780692455 VKCBBDGXMPXBSE-JOCHJYFZSA-N 422.441 0.317 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3C)CCO2)C1 1781390913 PAJWAMPBULXOJL-QRWLVFNGSA-N 404.467 0.630 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1782010478 QZHHDSZFZHGWND-RJJSUGEPSA-N 401.419 0.300 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ccncn5)CCO4)C3)c2c1 1782195784 JICXKDBYWHIHBR-NRFANRHFSA-N 417.429 0.982 30 20 HCED C=CCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1C(=O)CSC1=S)C2 1782202790 ZDEWEADGTNPVMR-FZKQIMNGSA-N 411.549 0.937 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccoc1I)CCO2 1783049443 YOGBTSCGXCSXIZ-OAHLLOKOSA-N 414.199 0.961 30 20 HCED 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HCED Cn1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C(C)(C)NCCC#N)c1Cl 1795599248 ZXXBCXYNIDWYBR-AGGWBTHJSA-N 422.917 0.559 30 20 HCED O=C(Cn1cncn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=C/C(=O)c1cccs1)C2 1795852344 WOVAUKDSOYKBLW-GFYLOJAKSA-N 415.475 0.368 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(=O)n2[nH]cnc2n1 1796186002 PEIGBCXVVOUMFS-ZSBIGDGJSA-N 406.393 0.881 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnccc1F)C2 1797811687 RPLVPRISYJRXDL-BCTNPSBSSA-N 420.441 0.953 30 20 HCED O=C(O)C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(-c2ccccc2)no1 1798139458 TUGOCTQJEKJWJA-YVWYUNDQSA-N 409.398 0.633 30 20 HCED COCCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799641708 CZWUOTXVMCJWTK-OPVJXMOQSA-N 401.463 0.619 30 20 HCED C=C(CC(=O)OCC)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)C2 1800105514 DGHXQOMDCYVGTJ-JONQDZQNSA-N 414.524 0.815 30 20 HCED N#CCc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@H](O)N2CCOCC2)C3)cc1 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C=CCOCCCC(=O)N[C@H]1CCc2nc(NC(=O)CC[C@H](N)C(N)=O)sc2C1 1815053206 FBCYFVTTYVAPPE-STQMWFEESA-N 423.539 0.631 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)CC#N)n[nH]2)CC1 1816743576 PYYUJXPNNIUYBM-MRXNPFEDSA-N 401.471 0.480 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CC#N)n[nH]1 1816745706 JCRCULFDFUAWPO-HUUCEWRRSA-N 405.411 0.810 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)c3cc(O)nc(O)n3)sc2C1 1817098932 KNXPEJMGCVBYSP-ZJUUUORDSA-N 417.447 0.608 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)Cn1ccnn1)CC2 1819710779 UJDURDOJBNEIED-FZMZJTMJSA-N 404.496 0.920 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)CN1CCNC1=N)CC2 1823079038 JSFINNMZKAHVSB-NEPJUHHUSA-N 421.527 0.696 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H](O)N2CCOCC2)CC1 1824507596 OPFPBAGVEBFZAH-SFGWALBWSA-N 423.554 0.848 30 20 HCED N#CCCC(=O)N1CC[C@]2(CN(C(=O)CN)CCN2C(=O)OCc2ccccc2)C1 1828956144 DTLRPWRQGSYVND-OAQYLSRUSA-N 413.478 0.701 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4ccc(O)nn4)C3)C2)C1 1829671753 FVBHIOAGBAUUKK-NRFANRHFSA-N 416.478 0.537 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)cc(C#N)c3)C2)C1 1830525915 FMHCYFWFNWYOOW-GHTZIAJQSA-N 401.463 0.708 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cnnn3)C2)C1 1830645904 KBKMNBDXWGGCDT-JXFKEZNVSA-N 418.498 0.459 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)NC(=O)CC)CCO2 1831191282 LHTHHVKAXMNYPL-DYESRHJHSA-N 407.511 0.551 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H](O)CC3)C2)C1 1831438401 QDLBEMKOEACYJA-RYLXDESZSA-N 410.511 0.585 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCn3cncn3)C2)C1 1831499897 YNSGIZYQHUCWBR-SJLPKXTDSA-N 411.528 0.079 30 20 HCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)C(C)(C)C#N)CC2)CC1)n1cncn1 1833149735 AWPLEYYOHPFEMJ-OAHLLOKOSA-N 401.515 0.960 30 20 HCED CN(C)c1cncc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c1 1833361164 LGYXTIKJZIJTPI-FQEVSTJZSA-N 401.467 0.521 30 20 HCED O=C(C#CC1CC1)NC1CCN(C2CCN(C(=O)c3nc[nH]c3[N+](=O)[O-])CC2)CC1 1833427314 WMGCWBFZJAIZPR-UHFFFAOYSA-N 414.466 0.917 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ncnn3C)CCO2)C1 1833842772 YOTYVHWCCWLYLN-UZLBHIALSA-N 403.483 0.654 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cncnc3)CCO2)C1 1834307452 IAIWFHSSBRHIQP-DNVCBOLYSA-N 405.455 0.348 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)C2)C1 1834763526 NNPGOQYMQBYBMS-FQEVSTJZSA-N 410.434 0.455 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H]2CCCO2)CCO3)cc1 1836216651 CGGRMCTYXAIRBT-DENIHFKCSA-N 413.474 0.736 30 20 HCED CC(=O)O[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1)C(C)C 1837214345 VVTKKJRUIBWASN-FPOVZHCZSA-N 406.479 0.444 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1837398474 BKCJETIJDXPFSD-HRAATJIYSA-N 420.510 0.670 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC=CO3)CCO2)C1 1837416054 WMLZVOMZMIQTFB-FUHIMQAGSA-N 409.483 0.936 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1837443822 KJSILVBVISUZIH-CCULFSDZSA-N 416.482 0.018 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(CC)noc3C)CCO2)C1 1838055031 RQPVAARNPSLMBF-HRAATJIYSA-N 419.478 0.654 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(-c3cnccn3)c1)CCO2 1838593530 ZLIXLCACEDNNSB-JOCHJYFZSA-N 406.442 0.847 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc4ncnn4c3)CCO2)C1 1839049663 PERJNMFRESHLEG-LIRRHRJNSA-N 419.507 0.047 30 20 HCED CN1CCC[C@H](C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)C1 1839065359 COHGPZZHSCAKFE-LAUBAEHRSA-N 415.494 0.298 30 20 HCED Cc1ccc(CC(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)cc1[N+](=O)[O-] 1839188410 BPAORBZZWMTANO-FQEVSTJZSA-N 416.434 0.816 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1839223633 BFKLHSYBAWNVNK-UZLBHIALSA-N 406.483 0.896 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3cc(C)cn3)C2)C1 1839224908 RPPZMZRCYVUAQJ-FXAWDEMLSA-N 421.498 0.449 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1839878705 FRBHUZBWLNBEKG-BTYIYWSLSA-N 414.462 0.153 30 20 HCED CC(=O)NCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1839885433 VMWJNQBWORUJFJ-OAQYLSRUSA-N 414.462 0.154 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1839887686 MDNGENWMXMIJSL-GOSISDBHSA-N 417.453 0.426 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1)C(F)(F)F 1839892057 PUIRMHUEXKPBNI-MRXNPFEDSA-N 400.357 0.665 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](O)Cc1ccccc1)CCO2 1839956157 HRBADQFQMFXJIN-NZQKXSOJSA-N 412.486 0.460 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1840166080 UDBRJUZVVARSHE-QIIPPGSGSA-N 401.529 0.066 30 20 HCED C[C@@H](Cn1ccnc1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840430126 NCMDWSTUWQSMTB-OXJNMPFZSA-N 401.467 0.279 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncc(OC)cc3F)C2)C1 1840841206 IXLXBDMNCFSYEJ-HXUWFJFHSA-N 405.426 0.713 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H](O)c1ccc(OC)cc1)C2 1841053447 QTCNWEKDYNGUJC-GDCKJWNLSA-N 413.474 0.790 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)CN3C(=O)CNC3=O)C2)c1 1841849110 YMMRHYFCMTXKLL-CQSZACIVSA-N 409.446 0.682 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)CNC(=O)c1cccnc1)C2 1842919234 JMZGXGBVMSZYLM-UHFFFAOYSA-N 412.494 0.297 30 20 HCED CCOC(=O)N(CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)Cc1ccco1 1846531287 WZNMKWIURPOHIT-UHFFFAOYSA-N 417.418 0.530 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccccc1Oc1ncccc1C#N 41404544 DJCIEADXKMSANH-UHFFFAOYSA-N 403.420 0.349 30 20 HCED CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 409493406 JHSUVFJLMUCNGK-IPMKNSEASA-N 413.588 0.725 30 20 HCED CCOc1ccc(NC(=O)C(=O)NCCC#N)cc1S(=O)(=O)N1CCOCC1 427889292 WEVOVVRBJUNYOW-UHFFFAOYSA-N 410.452 0.075 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C1CCC1 430983792 ISSHZUIIXSTWDH-UHFFFAOYSA-N 419.528 0.971 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 431447433 GOZORNQZIHLENC-CBZJRKILSA-N 422.532 0.830 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1)C1CC1 435027043 DAXHKVZVTSCZRA-AWEZNQCLSA-N 423.491 0.878 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NS(C)(=O)=O)cc2OC)C1=O 440256913 PHBOIOTVVZOJJK-CQSZACIVSA-N 424.479 0.251 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)C1=O 440275641 KDQBBEHESGWLNS-MRXNPFEDSA-N 401.467 0.371 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443477345 WQNXXKALPTYMSG-UHFFFAOYSA-N 408.299 0.587 30 20 HCED C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 468031362 VOIRVCSPIWIZMB-DSFJHFMVSA-N 422.485 0.753 30 20 HCED C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 474788361 DYKVRFWYPGDIBN-JKSUJKDBSA-N 407.540 0.367 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCC(=O)NCc1ccccn1 477787911 IGQCMQXOYLAKNJ-AWEZNQCLSA-N 415.475 0.443 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CC1 481974391 CMXNTWMVISABLU-UHFFFAOYSA-N 414.512 0.834 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 482785430 DLFVVFIPIXWFPF-HNNXBMFYSA-N 422.551 0.929 30 20 HCED CS(=O)(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 489509406 JPMFJARWUDHITL-UHFFFAOYSA-N 414.509 0.032 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)CCO1 490526213 GUOHKCJAACBYMN-GWCFXTLKSA-N 408.249 0.680 30 20 HCED COC[C@@](C)(CNC(=O)Cc1noc(C)c1C#N)NC(=O)Cc1noc(C)c1C#N 499846816 QMRPITSLNNHJIY-LJQANCHMSA-N 414.422 0.446 30 20 HCED CN(C)C(=O)[C@@H]1CSCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505429871 VDYZTTDSLNUKCK-CABCVRRESA-N 415.475 0.753 30 20 HCED N#Cc1c(CCCNC(=O)NCCN2C(=O)CCC2=O)nn(-c2ccccc2)c1N 506792377 CCOWNAUZHMTIOV-UHFFFAOYSA-N 409.450 0.707 30 20 HCED C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508917480 JJVDPBADXZXIAE-OAHLLOKOSA-N 411.470 0.555 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CS(=O)(=O)CCO3)C2)c(F)c1 509214561 YEVNECZBGIXMCH-GJZGRUSLSA-N 410.471 0.779 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccnc2N2CCCCC2)CC1 509216272 BXWFLYGOLSVMHQ-UHFFFAOYSA-N 414.510 0.457 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 509956658 ZRZPJEAOXSKZII-CQSZACIVSA-N 423.495 0.282 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 510028232 WUWZHUBOSCFANY-HNNXBMFYSA-N 401.577 0.881 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511903915 ANBBJTJFJJWSRJ-JLAWEPINSA-N 417.510 0.978 30 20 HCED C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1C[C@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12 513666542 MTBCJKHOYPEOQS-ODCFSMADSA-N 416.503 0.366 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)nc2n(C)c1=O 515746226 NKZHAMBNACSRMA-GOSISDBHSA-N 418.457 0.655 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)CSc3nnnn3CC(F)(F)F)CC2)c1 521578270 WQZFZNJEMGSEJP-UHFFFAOYSA-N 412.401 0.943 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc([N+](=O)[O-])cc3)c2=O)cn1 523574594 UWKFFMJJFQPMHO-UHFFFAOYSA-N 424.442 0.273 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1c(C)c(C)nn1-c1ccc(C#N)cc1 534171833 IQXAIWDEPIPPJN-UHFFFAOYSA-N 418.479 0.355 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 535328545 ALBAUVRLQHVQPS-HNNXBMFYSA-N 413.503 0.018 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1 539382377 MFKMOIJOODFGDR-HUUCEWRRSA-N 422.507 0.321 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O 539649834 YIKSHTPCOXZSGY-UHFFFAOYSA-N 418.269 0.210 30 20 HCED C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 543862725 KRNOBGLRRYIDAX-UHFFFAOYSA-N 419.484 0.770 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cc3c(cc2OC)OCO3)c(=O)n1CC 545369127 YTLZHQALBHGBMI-UHFFFAOYSA-N 415.471 0.696 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545493784 MADLOALEXBRCOZ-UHFFFAOYSA-N 411.422 0.151 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)n1 550018835 KJIPLHBKLBFTGL-FQEVSTJZSA-N 418.501 0.993 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc(F)cc3F)CC2)c1C#N 550429911 FTYSYRDYZMQWMI-UHFFFAOYSA-N 402.405 0.843 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccc(F)cc1F 551920398 KVWOSFPQYXWYNQ-UHFFFAOYSA-N 415.425 0.468 30 20 HCED CCn1cc(-c2noc(-c3ccc(C)c(S(=O)(=O)NCC#N)c3)n2)c(O)nc1=O 554839552 UPWCLOMBOJLKGK-UHFFFAOYSA-N 416.419 0.796 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cc1 558337635 IBKADYBQCCPYDL-VQTJNVASSA-N 412.490 0.609 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)n1 559038101 DFSRQHZCPBJHFA-GOEBONIOSA-N 410.409 1.091 30 20 HCED N#CCNC(=O)CNC(=O)c1c[nH]c2ccc(I)cc2c1=O 561470679 HYCDBZYPGSOGGZ-UHFFFAOYSA-N 410.171 0.502 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC(n4ccnc4)CC3)C2=O)cc1 561708096 XKXQZUVYDFRQIP-IBGZPJMESA-N 420.473 0.836 30 20 HCED CCNC(=O)C(C)(C)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 561797277 PEAXHPDITZMVPE-UHFFFAOYSA-N 403.458 0.624 30 20 HCED CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cn1 561859315 FWEDUMBZRWUDGB-MJGOQNOKSA-N 408.462 0.869 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)O)C[C@H]2C(N)=O)cc1C(F)(F)F 562321446 CEASWFBNKSSRDI-UFBFGSQYSA-N 405.354 0.916 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)Oc2cccc(OC)c2)CC1 565500403 RQWBPDQOTLHTCE-INIZCTEOSA-N 418.494 0.025 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)NCC(=O)NCCN2CCCCCC2)CC1 573519073 LUKLAMAQYMRFCS-UHFFFAOYSA-N 413.526 0.777 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1Cc1ccon1 582375823 QXSBFGFMDUAKRT-UHFFFAOYSA-N 406.423 0.941 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 582385904 AJVAYWAGEJLZDJ-UHFFFAOYSA-N 403.464 0.972 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCC[C@@H](N4CCCC4)C3)C2=O)cc1 588869167 FXCWPMSPDGPHIO-UXHICEINSA-N 423.517 0.862 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)ccc1Cl 604160772 GGUAEUFUCGUEKX-UHFFFAOYSA-N 403.870 0.917 30 20 HCED COCCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 610491399 DZDXARWKVWNCNH-UHFFFAOYSA-N 422.507 0.542 30 20 HCED CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1CCO 614920065 CPNXMHDVRCGTDI-HXUWFJFHSA-N 417.529 0.923 30 20 HCED CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726400816 MDHHVKHZOBHTRY-ZWNOBZJWSA-N 405.480 0.378 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)c1 731123426 QCMPZSZPQQYTOJ-UHFFFAOYSA-N 401.444 0.732 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 735857855 UETCDUCYJXEHBE-ORIGZDJFSA-N 420.466 0.163 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 749968055 FHFAXFRMNTZJKY-CRAIPNDOSA-N 405.480 0.296 30 20 HCED COC(=O)[C@]1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 755735958 DZKKBXYOHJWCCR-IBGZPJMESA-N 423.491 0.734 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2ccnn2C)c1=O 758078549 PGHGWJCGEYZPLN-WMLDXEAASA-N 409.515 0.474 30 20 HCED COc1cc(/C=C/C(=O)c2cnc(O)n(C)c2=O)c([N+](=O)[O-])cc1OCC(=O)O 761811988 KTHOVDBLSPDDLG-ONEGZZNKSA-N 405.319 0.762 30 20 HCED C[C@@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)S(N)(=O)=O 768617019 ZPQQGBXBUGCPBD-LBPRGKRZSA-N 416.525 0.079 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769642984 IVDUDFHVUFXRRK-UHFFFAOYSA-N 403.420 0.036 30 20 HCED C#C[C@@H](C)N(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 769655958 NLQKCMFMYXELQD-OAHLLOKOSA-N 409.483 0.919 30 20 HCED C[C@H](O)c1ncc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 773018600 MSUZTKNYVVPCIJ-LBPRGKRZSA-N 410.525 0.974 30 20 HCED CCS(=O)(=O)CCN(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 776003209 QJKYCEPQSPDMHU-SFHVURJKSA-N 410.515 0.901 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C[C@H](C)O)CC1 779189857 HEZQNMPTFMFEAK-DOTOQJQBSA-N 422.551 0.665 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)o1 780075574 PLUVPQRMFUSZBX-UHFFFAOYSA-N 415.362 0.974 30 20 HCED Nc1ncc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 781572230 QZOXWADMURVFFT-UHFFFAOYSA-N 407.412 0.434 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1-c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 783480234 IKUIQVKFXINUMC-HNNXBMFYSA-N 404.423 0.599 30 20 HCED CN1C(=O)CN(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 785303973 BMDADSNRJKYEOA-UHFFFAOYSA-N 401.770 0.261 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)CC2)cn1 791286206 RFBXSVLCLLSKHS-UHFFFAOYSA-N 419.239 0.327 30 20 HCED Cn1c(CC#N)nn(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1=S 794621959 WYXZTCXZJVEEAY-UHFFFAOYSA-N 417.520 0.741 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 795109829 ARAFLXWVDZRRLT-UHFFFAOYSA-N 410.452 0.049 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC1 796183411 ADAOFLYOAFUZMG-ZDUSSCGKSA-N 409.530 0.155 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 797514929 KPDZCNDEKXCBOZ-LJQANCHMSA-N 423.491 0.747 30 20 HCED CCOC(=O)NCc1ccc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798813162 QNHDRJCDNOKIIZ-NSHDSACASA-N 406.424 0.462 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 799286882 KTXSTAGCVDWGPM-NVXWUHKLSA-N 421.519 0.936 30 20 HCED CC[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)N(CCC#N)CCOC)C1=O 800131641 YUNYHBPUBFSRNH-KRWDZBQOSA-N 409.468 0.455 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2cc(C#N)ccn2)c(O)nc1=O 803848655 UNWNYYZKLUKYRQ-UHFFFAOYSA-N 414.422 0.808 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2nnc(S)n2C2CC2)cc1 810373534 VTEGSXNLRXZJHC-UHFFFAOYSA-N 406.493 0.411 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(O)C2=O)ccc1Br 820482740 QSUIELKPKDYCTO-LLVKDONJSA-N 420.285 0.809 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 857673311 MWSLSBDOABLFIS-CQSZACIVSA-N 423.491 0.128 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)/C=C\c1ccccc1 893607974 NMADQFKYVRGUGW-QLKUMGTLSA-N 409.464 0.910 30 20 HCED COc1ccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 917036867 PJTJCTRTHFUQAW-KYYHFZFISA-N 407.426 0.827 30 20 HCED O=C(NC1CC1)[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 918593222 ZGIHDJDOGJOCHO-HNNXBMFYSA-N 404.492 0.775 30 20 HCED C=C[C@H](COC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1116622690 FKRXBXCOABQXHX-MRXNPFEDSA-N 409.508 0.617 30 20 HCED CC(=O)OC[C@H](CO)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1116869473 KKHIAHISEODPIG-ZFWWWQNUSA-N 411.480 0.180 30 20 HCED C[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)N1CCc2sccc2C1 1221626834 MSCUSUGBGUHQCC-LBPRGKRZSA-N 402.480 0.628 30 20 HCED CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1251341390 CKOQMLODUMPPJE-YOEHRIQHSA-N 412.446 0.534 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1315068880 NGQPRSWZZRXZIH-KRWDZBQOSA-N 410.450 0.999 30 20 HCED COC1(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1315263962 YIHIMUPHKAKOGE-ZIAGYGMSSA-N 412.516 0.576 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC2)cc1 1317818319 SYKOEEGNOUBTMR-HNNXBMFYSA-N 411.505 0.216 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1325284249 VQYNABYGZGYZRC-ZDBRSUKYSA-N 412.450 0.398 30 20 HCED C[C@H]1CN(c2cccc(CN(C)C(=O)NCCn3cnc(C#N)n3)c2)S(=O)(=O)C1 1478603656 ISEXAQOVDITQBC-AWEZNQCLSA-N 417.495 0.777 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCS(C)(=O)=O 1492911789 RURQYHGTICZVLZ-CYBMUJFWSA-N 404.500 0.398 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 1539803382 ISSSMWXPYHXIEZ-GFCCVEGCSA-N 417.919 0.403 30 20 HCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1593800962 ZMMKKDJBRATCHP-UHFFFAOYSA-N 403.874 0.923 30 20 HCED CN(C)CCOc1cccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1629114504 PNJMGMYVVXUTKN-UHFFFAOYSA-N 400.439 0.260 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cc[nH]n2)C1 1712875983 KGYZPUOSYFONGQ-IBGZPJMESA-N 409.429 0.859 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)n1 1726141732 SZUWKFIPVBMSBB-GOSISDBHSA-N 414.514 0.591 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](CC)NC(N)=O)C1 1777985190 ZLMXYEOSAFMYFX-WSOZGMELSA-N 424.542 0.520 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1778974267 XXRJQKCRYNOACR-IIBYNOLFSA-N 413.478 0.975 30 20 HCED N#Cc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C2=NNC(=O)C2)C3)cc1 1780410397 WKJOELQJTBZQDK-DYESRHJHSA-N 409.446 0.562 30 20 HCED COc1ccnc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c1OC 1780446583 NPKMGEPTGMNZTM-HXUWFJFHSA-N 400.435 0.846 30 20 HCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)N1CCN(C)CC1 1780637237 SPIUJZDNRFNGNH-KKLQWCBXSA-N 416.566 0.550 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1780807147 PTPKLNOFOGTLEO-WFXMFSGNSA-N 421.502 0.549 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1781390455 IUKGEGYTPPPTSL-IFXJQAMLSA-N 406.439 0.330 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(CN(C(=O)c5ncon5)CCO4)C3)c2c1 1782196959 TUPFKQAPHWFYPP-IBGZPJMESA-N 407.390 0.575 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3ccc(O)nn3)C2)C1 1782632119 MBSZAAHHRTUHBJ-MJGOQNOKSA-N 408.524 0.899 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1ccc3c(c1)NC(=O)CC3)CCO2 1783565295 KWFJESUPCWXXKY-OAQYLSRUSA-N 411.414 0.103 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)c3ccco3)[C@H]2C1 1783565308 LYTMXEJIYHNSRT-YECZKDOJSA-N 406.479 0.866 30 20 HCED CSCC[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1783969584 YAJCVQHIGUICGT-NQIIRXRSSA-N 402.516 0.982 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3cccc(OC)n3)C[C@@H]21 1784478553 ASWMHGLZPZPCMA-NEPXVJNWSA-N 415.490 0.651 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(CO)c(F)c3)C2)C1 1785262331 CXOZHEUZXAJPOR-VFNWGFHPSA-N 404.438 0.800 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C#N)CCC3)C[C@@H]21 1788743808 HJUMQMANRJSCLO-QAETUUGQSA-N 404.511 0.965 30 20 HCED 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CC(C)(C)OC(=O)N1CC=C(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CC#N)C1 1795077312 BTQJKRSADDQBEP-SCAQPMJSSA-N 404.467 0.667 30 20 HCED N=C(N)SCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1795588507 MUDSBVCYWDVDIJ-KQORWNQDSA-N 407.496 0.305 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])o1)C2 1797705057 QVUIOYLQHRJKPD-FAXLKDOZSA-N 407.423 0.964 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=N/O[C@H]1CCCCO1 1798494913 APVWEVDQJUSMKC-XLXDHNHBSA-N 423.514 0.861 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H](C)CS(C)(=O)=O)C2 1799389519 NXWZMWZBSHWODK-DGADGQDISA-N 417.528 0.058 30 20 HCED N#Cc1c[nH]c(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(=O)nc4cccnn24)C3)c1 1799420181 MVNBIGJYNMQUPV-QDMKHBRRSA-N 417.429 0.855 30 20 HCED Cn1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)ccc2F)cn1 1799748750 UZJTVQOMNMWNMG-CWPLJXCYSA-N 411.437 0.877 30 20 HCED 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C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3c(C)nn(C)c3C)C2)C1 1840170458 HJMIVFOGOKANEE-QFIPXVFZSA-N 416.522 0.839 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1CC(C)(C)C1)CCO2 1840222438 GQVUCUCRZVSPHL-LXHZQTKUSA-N 419.522 0.737 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCCC12CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 1841625780 ADXLZVUYGQPSFA-OAHLLOKOSA-N 417.597 0.816 30 20 HCED C[C@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)C1 1843105226 NMNHZGXJGDBABX-IHRRRGAJSA-N 413.540 0.878 30 20 HCED CCOC(=O)c1ncn2cc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)ccc12 1843125299 OJLPLGOGISSEGA-UHFFFAOYSA-N 424.413 0.416 30 20 HCED C[C@@H](NC=O)C(=O)N1CC2(CCCN2C(=O)c2ccc(C#N)nc2C(F)(F)F)C1 1843169853 KRIWISRJNFITOR-LLVKDONJSA-N 409.368 0.924 30 20 HCED C=CCOCCCC(=O)N1CC2(CCCN2C(=O)c2cc(=O)nc3cccnn23)C1 1844672875 ZZPWIMTXELIWBB-UHFFFAOYSA-N 411.462 0.889 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCCC23CN(C(=O)CN2C(=O)CSC2=S)C3)c1 1844797575 RWWUANSDVTVPEY-UHFFFAOYSA-N 403.489 0.564 30 20 HCED C[C@](O)(C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(F)(F)C(F)(F)C(=O)O)C(F)(F)F 1847990765 ZVJJWXUKOFLGED-HFJPGXAFSA-N 424.269 0.857 30 20 HCED CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 56067818 XFVONVULDSIZMX-UHFFFAOYSA-N 404.414 0.972 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 139084867 NQOAGWAURIYUHV-HNNXBMFYSA-N 404.496 0.691 30 20 HCED COC(=O)c1c(C)[nH]c(C(=O)CO/N=C(/N)C2=C(N)C3(CCCC3)N(C)C2=O)c1C 148763457 FIRPOUHUOMZJPC-UHFFFAOYSA-N 417.466 0.887 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1=O 410115347 KPTAGBOTLRVION-INIZCTEOSA-N 424.523 0.124 30 20 HCED COc1ccc(C)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 410129407 HVZBLPHFZDHPAW-GDBMZVCRSA-N 408.480 0.876 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C1=O 440264354 FDLPXSKWXMLROL-CQSZACIVSA-N 415.475 0.819 30 20 HCED Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 441629602 XFIUUYDROLYHKT-OAHLLOKOSA-N 408.397 1.314 30 20 HCED CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443296014 KXQCWZPTUHVJID-LLVKDONJSA-N 420.369 0.545 30 20 HCED COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443350046 HXEJGNRSMJEMNF-DGCLKSJQSA-N 415.324 0.920 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NC(C)C)C1 460781060 DQLMWEYFSZNRSU-HNNXBMFYSA-N 410.544 0.997 30 20 HCED Cn1c(=O)c2ccn(CC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)c2n(C)c1=O 465049898 NDXWJYYMHRFWLU-UHFFFAOYSA-N 420.473 0.255 30 20 HCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)ccc21 465274571 HVDDRXZBPMMSTQ-CYBMUJFWSA-N 419.445 0.722 30 20 HCED C=CC1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 478201861 WFFFRSQEIDRNGY-UHFFFAOYSA-N 420.491 0.170 30 20 HCED CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 480290878 OHMUTIMDGFXORS-UHFFFAOYSA-N 402.432 0.104 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CC1 481975482 GNEVCSZGMXNCST-LLVKDONJSA-N 414.512 0.832 30 20 HCED CN(C)[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 484203486 QTEARSHDJCHAEN-OTWHNJEPSA-N 411.506 0.764 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 484416966 ANAJZXAOFPBPHV-MRXNPFEDSA-N 410.434 0.938 30 20 HCED N#Cc1cccnc1OC1CCC(N2C(=O)[C@H]3CS(=O)(=O)CCN3C2=O)CC1 484482473 IZVZMMXCLDRBKV-YMAMQOFZSA-N 404.448 0.704 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(S(N)(=O)=O)cn1C 486061191 JGSHLFIHUGSPLW-UHFFFAOYSA-N 403.508 0.677 30 20 HCED CN(CC(C)(C)C#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 497395873 QAYMDLSECWXBAL-OAHLLOKOSA-N 415.537 0.776 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 498180643 CKKPSDGWCFWIGX-UHFFFAOYSA-N 415.269 0.363 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 504411920 SQBVNXXARATXIM-WBVHZDCISA-N 419.507 0.634 30 20 HCED C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 504416880 VNQPXMDLYTVGER-HRAATJIYSA-N 408.414 0.864 30 20 HCED CCCn1c(CCC(=O)N2CC(O)(CC#N)C2)nc2cc(S(N)(=O)=O)ccc21 506373630 UTSBNQMNMRTJRW-UHFFFAOYSA-N 405.480 0.513 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccnc4c(C(N)=O)cnn34)C2=O)cc1 508102683 DGVORJZEXWOLSZ-OAHLLOKOSA-N 403.402 0.625 30 20 HCED C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508812236 VVXZMNWLPHPXIS-UHFFFAOYSA-N 411.445 0.529 30 20 HCED N#Cc1ncn(CCNC(=O)NC[C@@H](O)COc2ccccc2Br)n1 510609007 WZFKRCGHUNQMMP-LLVKDONJSA-N 409.244 0.651 30 20 HCED Cc1ncc(S(=O)(=O)N[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)O)cc1C#N 515009367 DZIXBWNFKCKLPY-QGZVFWFLSA-N 412.431 0.817 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)n1 541365267 QNJBUFUYXXGHME-MRXNPFEDSA-N 409.450 0.977 30 20 HCED COC(=O)COc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)cc1 542933881 BCGSJJZEDRLTCR-UHFFFAOYSA-N 415.471 0.026 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](N2C[C@@H](C(=O)O)CC2=O)C1 548245559 VENCDBTYIALHKC-WDEREUQCSA-N 408.392 0.163 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 549203028 LTCRVEQASPYXDI-KRWDZBQOSA-N 402.470 0.752 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CCC#N 549305063 WEAFBUAHAVKGAB-UHFFFAOYSA-N 410.452 0.027 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ncn(Cc4ccccc4)n3)C2)nc1 551065379 DLUJMXMKTAPUBD-KRWDZBQOSA-N 417.429 1.211 30 20 HCED Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 561135850 JTDDHXRMMCMRPV-NVXWUHKLSA-N 421.461 0.201 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)O)cc1Br 571479005 PDKKTJFCHNTYBJ-WSVYEEACSA-N 407.267 0.527 30 20 HCED CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 573410752 GJJAXUXLRXFEEY-UHFFFAOYSA-N 424.523 0.568 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNS(=O)(=O)c1ccccc1F 576391907 SERNCPCCXOWOCQ-CYBMUJFWSA-N 418.454 0.503 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)C 578018665 WXARUFVWASCBTF-MOPGFXCFSA-N 420.554 0.651 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 603793154 QVBIWRHGHCLRTO-UHFFFAOYSA-N 414.443 0.270 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NCCc2cc(F)cc3c2OCOC3)CC1 604174642 KYGFIYUOBAAXEU-UHFFFAOYSA-N 406.458 0.864 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C(=O)NCCOC)CC1 604421654 ANACIZVVRQUWCN-UHFFFAOYSA-N 402.451 0.897 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)cn1C 727014368 WDMJNRMKUSWFIC-OAHLLOKOSA-N 417.447 0.227 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 728570357 AGMZUBZJRFVMKB-QGZVFWFLSA-N 414.506 0.946 30 20 HCED CN(C)CCOc1ccccc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732457898 VQDBLXMFAMNOCI-HNENSFHCSA-N 401.467 0.953 30 20 HCED COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 735054985 LPTPKONSUAAJCW-JPWUFHEYSA-N 421.475 0.748 30 20 HCED CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)CS(C)(=O)=O 742669904 ROHJRBCAZNKXKO-STQMWFEESA-N 415.537 0.785 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 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HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)[C@H]2CCC=CO2)CC1 787029586 YSNXGLLSDJJQAI-MRXNPFEDSA-N 419.459 0.627 30 20 HCED C[C@@H](OC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1(C#N)CCC1 787558992 KRGPLIKXSLJZBP-CYBMUJFWSA-N 418.475 0.999 30 20 HCED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1 787645092 SPRIBHVAOWFQLU-STQMWFEESA-N 409.464 0.453 30 20 HCED CNC(=O)CNC(=S)NN=Cc1ccc(Br)cc1N1CCOCC1 788715695 ONFCRUVLZYSWIM-UHFFFAOYSA-N 414.329 0.830 30 20 HCED C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC(=O)Nc1cccc(C#N)c1 789109320 BUXRUEYCJPTMDI-LJQANCHMSA-N 414.418 0.656 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2sccc2C(=O)OC)n1 789789521 YCONMFBHFNMGLM-UHFFFAOYSA-N 404.448 0.978 30 20 HCED C#C[C@@H](CCC)NC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 792449987 NTDCGVDTTIGUJC-KRWDZBQOSA-N 400.479 0.605 30 20 HCED C#CCC[C@H](O)CNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 799212897 ZCGFRMGSTHCLRJ-IBGZPJMESA-N 401.511 0.793 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)C1=O 809774282 IEVPOLJEWAMQAZ-MRXNPFEDSA-N 420.510 0.915 30 20 HCED C#CCN=c1nc(N2CC[C@H](n3cccn3)C2)[nH]c(N2CC[C@@H](n3cccn3)C2)n1 812485449 SVBCYZXEUNIVMC-CALCHBBNSA-N 404.482 0.634 30 20 HCED CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CCC#N)ccc1Br 821582184 GJGFSXWCXPRVRZ-UHFFFAOYSA-N 424.298 0.673 30 20 HCED C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 915483105 QPUVGQZORBSESQ-AWEZNQCLSA-N 423.491 0.845 30 20 HCED C=CCn1cccc1C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 990915577 FVFBHHWIVMUMQJ-KOCLDHPWSA-N 422.489 0.871 30 20 HCED Cn1cc([C@@H]2C[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)cn1 1183571989 PSWAXXMMQGIAHN-RDJZCZTQSA-N 403.464 0.607 30 20 HCED CCOc1c(OC)cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC 1292268439 RZIJFNWDRWJLKC-UHFFFAOYSA-N 402.407 0.943 30 20 HCED CC(C)NS(=O)(=O)N1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1299203613 OHMLOLUSEIBZPV-UHFFFAOYSA-N 405.402 0.973 30 20 HCED 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Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)[nH]c1C 478963591 STIMCESNWIYSCB-UHFFFAOYSA-N 401.448 0.405 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1Cc1ccon1 480955400 PIKPFQISQQXSCV-UHFFFAOYSA-N 413.484 0.516 30 20 HCED Cc1ncc(S(=O)(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 489653856 KVZAZJGMQYLUIQ-OAHLLOKOSA-N 415.435 0.807 30 20 HCED CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N(CCC#N)CCN1CCOCC1)C2=O 494426927 DAIFUDVFXIJCMW-NRFANRHFSA-N 419.526 0.952 30 20 HCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 499328755 RYAWDCGDYGYDAO-CHWSQXEVSA-N 401.510 0.459 30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 500259331 SHPFXQIGQAMXTO-OLZOCXBDSA-N 410.224 0.784 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 504332589 UMCRILZJEUSOHK-CYBMUJFWSA-N 407.473 0.818 30 20 HCED CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(C)cnn2C)c1=O 505664126 ONUUMRKXJVWUNW-AWEZNQCLSA-N 400.504 0.861 30 20 HCED C=CCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 508902619 LEHFQGQYYXVYGG-QGZVFWFLSA-N 411.510 0.895 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1F 511770644 HGDKSUVHRNXITK-LBPRGKRZSA-N 408.455 0.956 30 20 HCED COC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 513755522 QKAGRTYSYCXYSU-LJQANCHMSA-N 407.474 0.976 30 20 HCED C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C(N)=O)C1 514846688 GUYFVUAOHRBSPS-OAHLLOKOSA-N 409.450 0.459 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2csc(CC)n2)c1=O 517985504 GOFCQMMGGLXBRX-UHFFFAOYSA-N 416.528 0.477 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)C1=O 520993498 MVLCSPMOJIZLIM-ZDUSSCGKSA-N 420.422 0.643 30 20 HCED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(C)c2=O)c1 524198579 XDBLVDPWGJBBSM-UHFFFAOYSA-N 403.504 0.973 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 543258741 OYAWUADSNCLBHT-HUUCEWRRSA-N 404.467 0.747 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 551380583 IGBOPFUXDDLDBX-UHFFFAOYSA-N 406.464 0.574 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3cccc(C(N)=O)c3)CC2)nc1 552811714 QOMOOPOHONQWNI-UHFFFAOYSA-N 406.446 0.060 30 20 HCED CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 555799335 NBBWCZZLOQQZGO-UHFFFAOYSA-N 404.474 0.911 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)Nc3sccc3C#N)no2)cn1 556165714 NUWMLYOAUHNYFF-GFCCVEGCSA-N 413.419 0.942 30 20 HCED C[C@@H]1CCCCN1CCCCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 556170002 DHHHHZRVPWIKKC-OAHLLOKOSA-N 403.531 1.025 30 20 HCED Cc1c([C@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnn1C 556292864 VLYYQRKMVJIKDL-UGSOOPFHSA-N 408.462 0.695 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)NC1(CNS(=O)(=O)N(C)[C@H](C)CC#N)CCC1 557345596 QIGQHNJOTUDMAA-KGLIPLIRSA-N 420.561 0.046 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccc4c(c3)OCO4)C2=O)cc1 559309298 BKRPZMSWOVLUNE-QGZVFWFLSA-N 420.425 0.820 30 20 HCED CN1CCC(C#N)(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 565686594 OTDQMHMLTCXGGV-UHFFFAOYSA-N 415.313 0.832 30 20 HCED N#CC1(CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 567331005 KZZBSICGQHLNRK-UHFFFAOYSA-N 422.482 0.859 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(ncn(CC)c3=O)C2)c1 571914693 VOWNTPFGKYADKQ-UHFFFAOYSA-N 402.476 0.926 30 20 HCED CC[C@@H](NC(=O)N1CCN(c2snc(C)c2C#N)CC1)C(=O)N1CCOCC1 574093793 QWMYORASZVVKDI-OAHLLOKOSA-N 406.512 0.792 30 20 HCED COCCNC(=O)Cn1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cn1 574627917 DSEYHFXRNYSRHD-UHFFFAOYSA-N 412.454 0.266 30 20 HCED C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1 576317081 PZSZKQIYKOCDKT-AWEZNQCLSA-N 400.460 0.658 30 20 HCED CN(C)c1cccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 584134791 DKNONOIMDHXSKU-GOSISDBHSA-N 420.473 0.553 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 588055934 IEDWLYDHKJWKQQ-INIZCTEOSA-N 412.494 0.673 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCCO1 589142531 WJUFVWNROPAVSP-CVEARBPZSA-N 417.466 0.382 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 608911404 DPPRRYDESIJYSI-UHFFFAOYSA-N 416.890 0.174 30 20 HCED COCCNS(=O)(=O)c1ccc(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 609676591 RKJQBBDMECXXHD-GOSISDBHSA-N 402.476 0.799 30 20 HCED C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)N1c1cnn(C)c1 610406310 OWXRMQJLTPVJGK-YOEHRIQHSA-N 408.466 0.712 30 20 HCED Cc1ccc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 610438403 AZCQNGHXGHXCDT-OAHLLOKOSA-N 423.491 0.980 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 610797229 ZJVHZNSIUPINFB-GFCCVEGCSA-N 422.488 0.772 30 20 HCED CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1F 611277622 MUKGOPMQYOEFEP-UHFFFAOYSA-N 404.489 0.854 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)n1 612850069 FFIRTMFDEWXRKT-UHFFFAOYSA-N 406.402 0.571 30 20 HCED CC(C)(C#N)C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 731709433 GMJKDQQXZJCAKM-MRXNPFEDSA-N 401.419 0.590 30 20 HCED CN(C[C@H](O)COCc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732891622 PIBFXBIKUJNEEW-NXDJFEHLSA-N 402.451 0.732 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cn1C 734587686 QUHDDZOBJCRKTJ-INIZCTEOSA-N 405.436 0.038 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2sc(C)nc2C)c1=O 736584988 TXJJGSJRJSAYEA-UHFFFAOYSA-N 418.544 0.755 30 20 HCED C[C@@H](CC(=O)NCCCN1CCC(O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742689646 ICLRRJUFFNGILG-AWEZNQCLSA-N 408.524 0.467 30 20 HCED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 746961696 BZULZDQLLVRDHW-UHFFFAOYSA-N 411.439 0.676 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)CC1 747736512 JIUAJRFENZQNED-IBGZPJMESA-N 410.478 0.762 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 747742165 PDGBXNRZJIZBJX-MRXNPFEDSA-N 411.458 0.799 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 747854770 PZLSGOVNHWPGOT-UHFFFAOYSA-N 400.479 0.825 30 20 HCED NC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 752711434 WCNJGOFOOSIQPX-HNNXBMFYSA-N 422.507 0.292 30 20 HCED CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cn1 762011092 NYDPWYDBKDWBTR-INIZCTEOSA-N 414.443 0.895 30 20 HCED C#C[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 766375751 RMVVLYSHTFJPJE-HNNXBMFYSA-N 408.476 0.873 30 20 HCED CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NN2CC(=O)NC2=O)cc1 770236865 NRCBCSKQFJLFMM-KGENOOAVSA-N 422.467 0.868 30 20 HCED COC(=O)N1CC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 770430914 OGTIBVXDWIJJMM-UHFFFAOYSA-N 407.452 0.025 30 20 HCED C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CCO[C@H](C#N)C2)C1=O 771468491 MMDYWDQANXSPSS-DYVFJYSZSA-N 421.251 0.967 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1CCOC 772279115 PRCSVARQUDNBAP-UHFFFAOYSA-N 413.499 0.679 30 20 HCED C#C[C@H](NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCO1 775795857 PWYBBDHWQKGQPQ-ROUUACIJSA-N 416.503 0.162 30 20 HCED C=C[C@](C)(CCOC)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 782443606 NZJPCGGLNDAEPP-MAUKXSAKSA-N 402.513 0.090 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](CO)C2CCOCC2)cc1C#N 782836219 QSYQWZGAJMFDPZ-MRXNPFEDSA-N 404.423 0.969 30 20 HCED O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 790237797 NDNAVTBDMOELII-UHFFFAOYSA-N 423.391 0.587 30 20 HCED O=C1CN(CCN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccsc2)CCN1 790742350 NQIOPIDEOVPNBM-AWEZNQCLSA-N 421.548 0.780 30 20 HCED Cn1ccnc1N1CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 793954168 WTDAHSSCERVSRI-UHFFFAOYSA-N 402.480 0.244 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 796202647 SGRADPMKYHBSQM-UHFFFAOYSA-N 409.508 0.540 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 800080147 RFDBQPWNGWWYIL-MJBXVCDLSA-N 404.489 0.070 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(OCCO)CCOCC2)C1 800716568 ZOQJMFHKKKWRJY-LSDHHAIUSA-N 412.487 0.603 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 807098061 VMLAYLSQNUORGB-HUUCEWRRSA-N 403.501 0.666 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)c2ccc(NC(=O)CC#N)cc2)n(C)c1=O 916451576 JWPQNKWCQXYJPW-UHFFFAOYSA-N 410.390 0.143 30 20 HCED C=CCn1c(Cc2noc(CCCNC(=O)C3CC3)n2)nnc1N1CCOCC1 1116589785 SDXWVDYSYIQFTC-UHFFFAOYSA-N 401.471 0.733 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1116916180 OWLCYCWVEUCVPS-CQSZACIVSA-N 422.573 0.276 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1CS(C)(=O)=O 1158733667 LCRJIYNHCDJKAZ-HIFRSBDPSA-N 413.521 0.651 30 20 HCED CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1cc(Br)cc(C#N)c1 1194849540 KBHPILJEODMYDO-ZDUSSCGKSA-N 412.269 0.679 30 20 HCED CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCN(c2snc(C)c2C#N)CC1 1251209083 XKGBRMJRZOIMKP-LBPRGKRZSA-N 400.530 0.483 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)n1 1290629083 QIVISJGZAQQIAH-QGZVFWFLSA-N 410.404 0.963 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccs1 1303866810 LHQQSHYLSPJFIO-STQMWFEESA-N 410.525 0.921 30 20 HCED Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1449230565 RVGOEEZPQVTWRC-OAHLLOKOSA-N 417.491 0.008 30 20 HCED N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccn(CC(=O)N3CCOCC3)n1)C2 1623120222 NUUHRHSKYJBINP-UHFFFAOYSA-N 415.479 0.847 30 20 HCED CN1CCN(c2ncc(Br)cc2NC(=O)Cn2cnc(C#N)n2)CC1 1640789497 OWENVBQPFNYYJN-UHFFFAOYSA-N 405.260 0.698 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cnc(C#N)cc2=O)c1 1652063137 JFDGUORTWVNFGI-UHFFFAOYSA-N 419.463 0.793 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1697025837 PBGKDHRRAOICAT-GOSISDBHSA-N 422.486 0.869 30 20 HCED CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709832410 LYJJYHMNWPBQEF-HZPDHXFCSA-N 414.514 0.322 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)CCO1 1712884506 NDWKUPKGNPVVKX-MRXNPFEDSA-N 417.495 0.028 30 20 HCED Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)n(C)n1 1742662022 KBNHXQOOJCECGV-WBMJQRKESA-N 410.479 0.421 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)CCO1 1770749479 YYOHIMFLVBWMPB-LSDHHAIUSA-N 401.471 0.361 30 20 HCED COCC1(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)CC1 1779060508 DMRDJCGNAJNHLP-QFIPXVFZSA-N 404.507 0.942 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CCc1ncc[nH]1)CCO2 1779067316 SHUZJWUCQBKVID-JOCHJYFZSA-N 414.506 0.871 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1)n1cncn1 1779137713 CJDOXYRAVNTSMH-RSYVAIHRSA-N 400.439 0.381 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1779252254 BEOJJWAHWFLMAG-XOBRGWDASA-N 401.467 0.635 30 20 HCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@H](NC)C(=O)O)C2)C(F)(F)F 1781804573 DTFCSMSJXOPPEZ-OGHNNQOOSA-N 421.416 0.682 30 20 HCED CC(C)(C)OC(=O)N[C@H](O)C(=O)N1CC[C@]2(C1)CN(C(=O)C(C)(C)C#N)CCO2 1781852598 DQGDLMQAHJTTDN-YJYMSZOUSA-N 410.471 0.209 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(CN(C(=O)CN4CCNC4=N)CCO3)C2)c1 1782056475 CQXABMVVAYWQQM-NRFANRHFSA-N 410.478 0.150 30 20 HCED C#CC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)CCO2 1783046920 XZNLKGHQTIHXIO-JXFKEZNVSA-N 419.503 0.125 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](S)C(C)C)C[C@@H]21 1783529269 JQPOVLAXJZACIF-DRGZHYIVSA-N 409.552 0.779 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccnc3C)C[C@@H]21 1783530536 BOZZUWZQCRDFIW-PKTYMYEJSA-N 415.494 0.030 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1ccon1 1786218920 CQFQCMNAGDAEER-OSGACCQASA-N 406.439 0.797 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CS(C)(=O)=O)[C@H]3C2)c1 1786649028 CARBPPLGSOCAKM-SZMVWBNQSA-N 419.503 0.505 30 20 HCED N#CCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc4c(c3)CCNCC4)C[C@@H]21 1786705778 CNEYPYQSHSNVJT-QRFRQXIXSA-N 411.506 0.667 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1 1788504731 LTQTVSRGSVPDJL-AJNGGQMLSA-N 421.502 0.100 30 20 HCED Cc1noc(N)c1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788677955 NMHSTQYQGWNTBS-HXQLYZRLSA-N 415.450 0.871 30 20 HCED 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C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(C)oc3C(F)(F)F)C2)C1 1839807613 HVFFRXFOLPBPOL-MRXNPFEDSA-N 401.341 0.705 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCN3CCN(C)CC3)C2)C1 1839840559 ISBGKHZZJWXOFX-UGKGYDQZSA-N 422.570 0.293 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CC(=O)NC 1847765828 BUNKEVZMCACXRN-KKUMJFAQSA-N 406.483 0.241 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2ccc(C(=O)OCC)cc2)c1=O 7394474 ZFGCPNZFVUVYQA-UHFFFAOYSA-N 414.418 0.359 30 20 HCED CCN(CC(=O)N(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 52880658 PTQZKWRJNDVIFB-UHFFFAOYSA-N 406.508 0.896 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C(=O)NCC4CC4)C3)CC2)o1 52932079 QPVZRGWZBGEQMD-KRWDZBQOSA-N 414.510 0.742 30 20 HCED CC(C)OC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 53562809 ILKRQBLXNDNDSO-UHFFFAOYSA-N 408.480 0.916 30 20 HCED N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCN(CCO)CC1)CCCC2 97286774 GJNNRPSUIPEODL-KRWDZBQOSA-N 415.538 0.966 30 20 HCED 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COc1ncc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C(N)=O 475543938 BCWPWFKPMYHYGT-OAHLLOKOSA-N 422.401 0.904 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CSC[C@@H]1C(=O)N(C)C1CC1 481254225 JTAPDVNBTDEMAN-MLGOLLRUSA-N 422.532 0.747 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486633838 WAWZNWCMNINWRF-IRXDYDNUSA-N 420.491 0.521 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)CC1 488553511 CINGOTAMKQACQZ-QGZVFWFLSA-N 424.505 0.496 30 20 HCED COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 491447076 NXIRZLYGHBWURF-KRWDZBQOSA-N 411.466 0.364 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)Nc2ccnn2-c2ccc(C#N)cc2)n(C)c1=O 498031273 ZIGOHKTWEAZEKB-UHFFFAOYSA-N 418.417 0.520 30 20 HCED C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CC1 498697830 VOAQMKPCPPNXMT-CQSZACIVSA-N 423.429 0.736 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2cc(C#N)ccc2F)ccc1F 499051409 GPBNYXMQFCSOQW-UHFFFAOYSA-N 408.386 0.999 30 20 HCED CC(C)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCOCC1 504564752 YEDYMOJWMFBWDO-KRWDZBQOSA-N 413.478 0.990 30 20 HCED CN(CC#N)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 504603027 AHOQEGAEUHMKFT-UHFFFAOYSA-N 405.480 0.509 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCN(C)C)[C@H]1CCS(=O)(=O)C1 506615561 OKRGEZOBEQPRRW-KRWDZBQOSA-N 409.556 0.924 30 20 HCED Cc1noc(-c2ccc(C(F)(F)F)cc2NC(=O)C(=O)NCC(=O)NCC#N)n1 508972498 XZUYMQWRDDQCAQ-UHFFFAOYSA-N 410.312 0.758 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 509559758 RQLWDVMDMYNDCG-UHFFFAOYSA-N 402.480 0.686 30 20 HCED COCC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 510942380 ARUQSFPRLSPWSM-UHFFFAOYSA-N 408.480 0.246 30 20 HCED C[C@@H]1COCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 520528030 NWUCWIPCOWDPDE-MRXNPFEDSA-N 420.535 0.796 30 20 HCED N#Cc1cccc(CS(=O)(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c1 521731457 XWHORVUTGJWIAA-UHFFFAOYSA-N 414.491 0.507 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 522166933 HSADFIAJCGLLBS-UHFFFAOYSA-N 424.523 0.772 30 20 HCED CN(CC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 532174241 RAQFEYOMYQKQJX-OALUTQOASA-N 420.535 0.938 30 20 HCED CCN1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 543560522 GMLBIBABMWZUQS-UHFFFAOYSA-N 412.450 0.619 30 20 HCED COCc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(N)n1 548437002 LCCWNICDJASLMY-UHFFFAOYSA-N 416.463 0.224 30 20 HCED COC(=O)c1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1OC 550236187 RCWDGOFBMABNEP-UHFFFAOYSA-N 417.443 0.948 30 20 HCED COC(=O)Cn1cc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)nn1 552370204 WIXFRISVBVGJAO-UHFFFAOYSA-N 400.414 0.995 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(NC(=O)CC)c2)CC1 555962035 OSZUIIKMGKBMCR-UHFFFAOYSA-N 415.494 0.098 30 20 HCED C[C@]1(C(N)=O)CCN(c2cc(N3CC[C@@](C)(C(N)=O)C3)c(C#N)cc2[N+](=O)[O-])C1 557671275 PIZUXDOMJYKMOD-MOPGFXCFSA-N 400.439 0.870 30 20 HCED Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(C#N)(c3ccccn3)CC2)n(C)c1=O 558594305 RBSBJQIMCROUTA-UHFFFAOYSA-N 421.461 0.303 30 20 HCED Cc1nsc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)CC2)c1C#N 560840798 IBVJULCCYKHXAR-UHFFFAOYSA-N 410.459 0.968 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(CC(F)(F)F)CC2)c1 573101193 PPOJXMGPYITACG-UHFFFAOYSA-N 404.414 0.979 30 20 HCED CC1(C)CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCS1(=O)=O 573293412 NPJVEAJGKHWYAV-UHFFFAOYSA-N 416.463 0.503 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccc(C(=O)OC)cc2OC)C1=O 576998958 RQMFMYUYEZIMOB-UHFFFAOYSA-N 403.391 0.117 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CC[C@@](O)(C(F)(F)F)C3)n2)cc1 590278968 KJDUMCUVXRMWDD-GUYCJALGSA-N 422.367 1.099 30 20 HCED CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(c4ncccc4C#N)CC3)cc2C1=O 604169161 QHCLIGSEQFDFSX-UHFFFAOYSA-N 418.413 0.466 30 20 HCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 604465897 IDXZSEODVJIRPQ-SFHVURJKSA-N 408.524 0.655 30 20 HCED N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 604546516 BAQWNBKIJVMORJ-QGZVFWFLSA-N 420.470 0.469 30 20 HCED CCN1CCN(C(=O)CC2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)CC1 609425688 XNWBHXKNHYVSFV-UHFFFAOYSA-N 404.559 0.950 30 20 HCED N#Cc1nccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 609431732 HWVHORVQEXEPLD-UHFFFAOYSA-N 400.420 0.190 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1C 615255912 BQRRZNMIOBFVJE-UHFFFAOYSA-N 402.451 0.795 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1=O 726043660 XHOCLHIUJYBCHF-UHFFFAOYSA-N 415.318 0.665 30 20 HCED N#Cc1ccc(N2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)nc1 726873310 UMOCDZBGDRCNAK-UHFFFAOYSA-N 415.475 0.718 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1OC 729428202 AXRNRNPIXQBKAJ-CQSZACIVSA-N 409.402 0.644 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCCn1ncc(C#N)c1N 731772866 ZWOHYYNMOXXRLH-UHFFFAOYSA-N 419.463 0.523 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)ccc2c1=O 740745478 ZZMQRPVRMINBNC-GFCCVEGCSA-N 408.505 0.764 30 20 HCED C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NC(=O)NCc1ccccc1 741339964 KDPTVZNDKPMRHM-RDCVWBNRSA-N 414.418 0.861 30 20 HCED COc1cc(OC)cc([C@@H](O)CNC(=O)C(=O)Nc2cc(C)nn2CCC#N)c1 746412558 WFNNOXHSMDXTKC-INIZCTEOSA-N 401.423 0.911 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 756312251 ZLAJIMOAMHYGJG-STQMWFEESA-N 405.459 0.852 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(C)cc2)c1=O 758049340 AKNFDLABVFWZEE-UHFFFAOYSA-N 420.538 0.519 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758057961 ISDONFCIWWOXSH-UHFFFAOYSA-N 409.515 0.183 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)c1C 761968995 XAQCKOVSGPZASZ-KRWDZBQOSA-N 407.434 0.883 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(C(=O)OC)CC2)ccc1F 770250349 FZXIWHFEACWSAI-UHFFFAOYSA-N 400.428 0.430 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(OC(F)(F)F)cc1 771892893 VUGJNWZBRPUBJE-UHFFFAOYSA-N 420.369 0.685 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(CC(F)(F)F)CC1)c1cc[nH]n1 772153286 VSFYZYWYFHZZNL-UHFFFAOYSA-N 405.377 0.836 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 773414914 BSEDZDPNHDKXFF-LBTBCDHLSA-N 407.426 0.560 30 20 HCED C[C@H](OC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1)C(=O)NC1(C#N)CCC1 787680945 IKAOMXHXTJSWQO-APHBMKBZSA-N 403.410 0.895 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2c(OC)cc(OC)cc2OC)C1=O 790102417 UAYXPPWAVRAATC-HNNXBMFYSA-N 405.451 0.574 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(Cn2cc3c(c(C#N)c2=O)CCCC3)C1 793517755 RHUJYAHLPXZNQB-KRWDZBQOSA-N 422.551 0.929 30 20 HCED CCOC(=O)Cc1cccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 795829168 MDHVZCIFPFMEJF-ISLYRVAYSA-N 407.448 0.597 30 20 HCED C=CCSCCNC(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 803210804 XKGNWFRXSLTUDS-UHFFFAOYSA-N 417.475 0.700 30 20 HCED C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 804436156 MPHTZEPBSRXKCB-CVEARBPZSA-N 420.535 0.827 30 20 HCED C=CC[C@H](NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccncc1 805808090 QECPCRFUHDWZBP-KFGODFMUSA-N 408.458 0.738 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H](C)CC3(C)OCCO3)CC2)c1C#N 807424077 SYAODPORQQCQRZ-AWEZNQCLSA-N 418.498 0.154 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(N)=O)cc2OCC(F)F)CCN1C1CC1 810364063 MDBUHUMULFQGAO-ZDUSSCGKSA-N 421.404 0.567 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 810786648 RIAUYYYKZQIQKN-KBPBESRZSA-N 414.505 0.567 30 20 HCED C=C[C@@H](O)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 814541064 KGOWKDOWQUURDW-GOSISDBHSA-N 422.503 0.488 30 20 HCED CN(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1(C#N)CCCCC1 821739254 FVMFPVUUHBKVCR-UHFFFAOYSA-N 418.475 0.953 30 20 HCED N#CCN1CCC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)C1 1252536403 BFYCUGSAWJFBAF-MRXNPFEDSA-N 405.524 0.834 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1299279577 OXTIDJFSPLILDF-QGZVFWFLSA-N 411.466 0.694 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCC1 1360684218 MAOHEMKRIWFAKU-IUODEOHRSA-N 400.480 0.635 30 20 HCED Cn1cc(N2C[C@H](C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 1435874503 YXHPPACYICKCLN-CRAIPNDOSA-N 406.446 0.956 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1539803774 NJEHULCLFDEKAE-STQMWFEESA-N 405.908 0.589 30 20 HCED N#Cc1cn(CC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2)c(=O)nc1O 1543380903 ROJBLYLETLDGMK-GFCCVEGCSA-N 405.361 0.817 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CCC1 1555557568 VDTPSTPBZXLEGP-HJFSHJIFSA-N 408.528 0.897 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)CCO1 1555992779 BQSMJYAWDPATKY-ZIAGYGMSSA-N 422.536 0.998 30 20 HCED COC(=O)[C@H](COC1CCC1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1596030451 ZMCNIVOMXXIJCS-DYVFJYSZSA-N 423.491 0.794 30 20 HCED CC(C)NC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1610019116 VCBYJURGEXKXMV-SFHVURJKSA-N 400.418 0.892 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1637851972 LFUQRUUTCKKTQH-AWEZNQCLSA-N 424.475 0.913 30 20 HCED Cc1ccc(N2C[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CCC2=O)cc1C 1641034212 VGWKRKBTOCWKGB-OAHLLOKOSA-N 409.446 0.997 30 20 HCED N#Cc1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 1641190310 MNAFXEDDEOKPMC-UHFFFAOYSA-N 400.460 0.394 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1664138590 YNEOOVXEGHSNRY-CYBMUJFWSA-N 403.530 0.181 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1722867234 VZTRWJNZPYJMSO-UKRRQHHQSA-N 406.516 0.698 30 20 HCED C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740811050 LHEFKDXTUJOGHG-VXGBXAGGSA-N 401.876 0.574 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCOCC2)n1 1762459692 OAKBPYRRRAWWLU-MRXNPFEDSA-N 401.471 0.410 30 20 HCED C#CC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3O)C2)C1 1778087675 QDNACZMGTFWGLG-VWKPWSFCSA-N 421.494 0.067 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cc4cn[nH]c4cn3)CCO2)C1 1778971330 JOHYUNCZFJRZPZ-UTKZUKDTSA-N 413.478 0.975 30 20 HCED 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C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3c3ccccc3)C2)C1=O 464539574 VYWDEHYLQGOZKG-BZUAXINKSA-N 410.430 0.236 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)cn1 475630813 JKZJVTKLFGYAKQ-UHFFFAOYSA-N 417.857 0.663 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccsc1 479396006 OHYVGPXKQSJSGD-UHFFFAOYSA-N 413.528 0.969 30 20 HCED CCN1CCN([C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)CC1 481779203 NCQPGWVDAMJGFQ-FUHWJXTLSA-N 419.551 0.463 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cn1C 483521094 AVKGUSBLNKFRJK-RDTXWAMCSA-N 410.544 0.478 30 20 HCED CS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 497868349 LZHHQGGRELDTIP-UHFFFAOYSA-N 403.258 0.315 30 20 HCED C[C@@H](CS(C)(=O)=O)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 503475864 MRRWKIOPSQKCIN-ZDUSSCGKSA-N 404.496 0.991 30 20 HCED COC(=O)[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C(=O)OC)C1 504872795 KIGSNSCLTDYPOW-HOTGVXAUSA-N 422.459 0.426 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cncc4ccccc34)CC2)C1=O 507905753 ZJILRZJDZWKPKI-UHFFFAOYSA-N 407.430 0.860 30 20 HCED C=CCn1c([C@@H]2CCCO2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 508841845 USIPEVLRUHLBLT-HNNXBMFYSA-N 412.516 0.015 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(F)(C#N)CC2)CC1 510888456 VVBHTUSZGQYGKI-UHFFFAOYSA-N 419.482 0.719 30 20 HCED CCOC(=O)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1 511657913 HIWOQFNIQYMBPX-UKPHBRMFSA-N 423.491 0.700 30 20 HCED C[C@@H](CC#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 512008942 NKDAJUPPHXMMGY-FZMZJTMJSA-N 421.928 0.840 30 20 HCED C[C@H](CNC(=O)N1C[C@@H](C#N)[C@]2(C1)C(=O)Nc1ccccc12)CN1CCN(C)CC1 514026727 KHTNPWIKAYXLPQ-YVHKJVDXSA-N 410.522 0.925 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(=O)n(Cc2cc(O)n3ncc(C#N)c3n2)c1 515131330 OUTVJLOKQBYRKU-UHFFFAOYSA-N 402.436 0.547 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccn(CCN3CCOCC3)n2)cc1 520929049 NLGHATRSBKCQBA-UHFFFAOYSA-N 417.491 0.640 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 523210436 ZJIFSWVTPUXTRP-SFHVURJKSA-N 413.526 0.728 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccccc2)c1=O 523745085 IUPCSWPCLFOBLT-OAHLLOKOSA-N 415.515 0.600 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 527352559 JWRMSQARHCODIQ-GPANFISMSA-N 407.496 0.976 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccon1 531684679 JAVFBOGWFIJUHC-UHFFFAOYSA-N 402.382 0.473 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CC1 541582027 JEZUWELDPXLPOG-GJZGRUSLSA-N 411.553 0.210 30 20 HCED COC(=O)c1cn([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)nn1 546932452 HCEWAMLVWPFFAE-WBVHZDCISA-N 403.487 0.004 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)c(C(F)(F)F)c1 548584799 LNHXSMYFSIUECD-SNVBAGLBSA-N 412.367 0.449 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CCC[C@@H](C)C2)CC1 550778441 NSQDDKBFRUSJBR-GOSISDBHSA-N 407.559 0.061 30 20 HCED CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N 550837012 KPACDWQHZQODNE-ZDUSSCGKSA-N 419.507 0.709 30 20 HCED CNC(=O)COc1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 553958639 JOBBCSHNXROXIQ-OAHLLOKOSA-N 423.477 0.893 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 557057591 HTCLSOOFVMHKCP-UHFFFAOYSA-N 410.434 0.756 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 557730605 HMLMOELJWPBKQS-UHFFFAOYSA-N 402.499 0.291 30 20 HCED Cc1ccc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 560893509 DQQYXUCTXLLHEL-LJQANCHMSA-N 405.458 0.838 30 20 HCED CN1CCC(C#N)(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 563937732 QVXAQDCVFPPBFC-MRXNPFEDSA-N 406.508 0.862 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1[C@H]2C[C@H]3[C@H]([C@@H]2O)[C@@H]2C[C@H]3[C@@H](O)[C@H]21 565468657 APVQSJHCVRMYAF-ZLQJMPCFSA-N 407.474 0.737 30 20 HCED COc1cc(C)ccc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 576139417 SVPXFFYBGCQEOM-UHFFFAOYSA-N 410.478 0.882 30 20 HCED C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 577667598 XSWHUHDHCATMRE-QGZVFWFLSA-N 416.526 0.823 30 20 HCED Cc1cccc(C(=O)NCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 589328872 CTJFFZACIWJBDE-UHFFFAOYSA-N 400.460 0.691 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 608911023 DLLCHBVXBVVQSE-UHFFFAOYSA-N 422.919 0.235 30 20 HCED COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615635397 WIWDCVUDYTUHKB-QGZVFWFLSA-N 410.427 0.539 30 20 HCED C=CCN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(OC)cc2)CC1 679794917 RZFYWDHJKFMJLT-LPHOPBHVSA-N 423.535 0.586 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 685085506 MQFAQMDVLJLBRP-HIFRSBDPSA-N 415.537 0.548 30 20 HCED CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1=O 726989143 RHDJRMWMMYTNSQ-UHFFFAOYSA-N 410.390 0.556 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCCCCC#N)cc2)CC1 729065909 XCGMUOUJSVWERZ-UHFFFAOYSA-N 401.467 0.730 30 20 HCED CNC(=O)CCOc1ccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)cc1 729785662 KVVBGDJHGXBBLB-UHFFFAOYSA-N 410.434 0.635 30 20 HCED COc1ccc(CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(OC)c1OC 732910918 WHHJFNWDORFBHX-AWEZNQCLSA-N 424.475 0.611 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 733852001 PKBVTGSIQKEIGB-MRXNPFEDSA-N 412.454 0.408 30 20 HCED N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)N3CCCCC3)C2=O)cc1 733858857 XDQGNASGHCAYBG-OAHLLOKOSA-N 419.463 0.610 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 744902318 VDPVOWUZRSPITM-RYUDHWBXSA-N 415.493 0.845 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 746554476 MOYVNUWYUVYDTP-UHFFFAOYSA-N 422.353 0.922 30 20 HCED Cc1c(C(=O)OCC(=O)N(CC#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 748435795 RWUIAEXMIASESZ-UHFFFAOYSA-N 421.413 0.654 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1 753693911 VADNWLWVCIYLPH-SJORKVTESA-N 410.517 0.780 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)c1 756318919 YWFVLIIPZKUMAC-QGZVFWFLSA-N 412.490 0.792 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2csc(C)n2)c1=O 758091983 ZMKKDDHUQSXOBJ-UHFFFAOYSA-N 416.528 0.354 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 761030748 LQXNVBFLTSZIRX-QAPCUYQASA-N 415.943 0.864 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 761036502 HBMGCFXISOFNPL-UYAOXDASSA-N 407.536 0.527 30 20 HCED CNC(=O)[C@@H](NC(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)c1ccccc1 762736785 FSNKXVRGFOGZAD-KRWDZBQOSA-N 418.475 0.331 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(OC)c(OC)cc2OC)CC1 766409863 UWTPAXYCMRXNMX-UHFFFAOYSA-N 403.435 0.639 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CC(C)(C)C#N)C2=O)cc1 776140602 CFYRQVOBTWXXLT-GOSISDBHSA-N 422.463 0.458 30 20 HCED CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 781537529 MXOWYFRXDGHVGU-UHFFFAOYSA-N 407.427 0.715 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(CN2CCCCC2=O)c1 783347544 ORIHSPRRQSKOEX-UHFFFAOYSA-N 407.492 0.855 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)c2nccn2C)cc1 783350421 KWOSKDMGNCMOIK-UHFFFAOYSA-N 404.448 0.307 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(Cl)ccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 783481857 YTTVAVIYJFKPPB-LBPRGKRZSA-N 412.851 0.714 30 20 HCED N#Cc1c(N2CCN(CC(=O)NCc3ccccc3)CC2)cccc1S(N)(=O)=O 784556959 LKVQMUMBZXNDLT-UHFFFAOYSA-N 413.503 0.644 30 20 HCED C=CCN(C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C)[C@H]1CCS(=O)(=O)C1 786742755 XPNBXPRIYALQHR-AWEZNQCLSA-N 418.541 0.833 30 20 HCED COC(=O)CC[C@]1(C)NC(=O)N(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 793589082 GJOKQQDUFRPQAX-KUHUBIRLSA-N 401.423 0.628 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)NCC(F)F 797762928 ARXSCEGONPDKAA-GFCCVEGCSA-N 416.450 0.637 30 20 HCED CC[C@](C)(C#N)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 803783381 WDVSJFAATUUZKY-LJQANCHMSA-N 423.491 0.807 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1[C@@H]1CCCO1 804394380 QNAFPTUDXWFVEA-CVEARBPZSA-N 407.492 0.912 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 805059672 AKCNCVIEHUBJQO-UHFFFAOYSA-N 400.439 0.348 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@H]1CCCO1 805531928 QSQZBVYCRXWCRG-QZTJIDSGSA-N 402.495 0.917 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)n1 809236245 KGBYMFWIXVFIDI-DZWYUUEJSA-N 422.551 0.687 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](O)C2(C)C)cc1 813026611 DGUIVADDFOHQBF-SSPLZPMDSA-N 422.507 0.810 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3COc4cc(O)ccc43)nc2)CC1 915948535 UOZNODLMLMCNGJ-UHFFFAOYSA-N 403.464 0.932 30 20 HCED CCOC(=O)C1=C(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)NC(=O)N[C@H]1C 916606458 CELNGMWDAHLXCJ-YBTHPKLGSA-N 411.418 0.844 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 916870055 DSOFVZHSAVXJQI-INIZCTEOSA-N 408.480 0.344 30 20 HCED C=CCNC(=O)[C@H](C#N)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 919667454 VZAOZXCAOMYBDS-UKRRQHHQSA-N 417.443 0.635 30 20 HCED N#C[C@@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1176000054 QTYCZAISDPASFI-KRWDZBQOSA-N 406.508 0.559 30 20 HCED N#Cc1cn(CCNC(=O)CCNC(=O)c2ccc3ccccc3c2)c(=O)nc1O 1301212299 STEOIOJCQWFNDC-UHFFFAOYSA-N 405.414 0.910 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1319170895 GYPDPVOHAGDDLN-OAHLLOKOSA-N 416.503 0.984 30 20 HCED Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 1319891226 UGGADHXUMRHFFU-PWBREFGWSA-N 402.455 0.544 30 20 HCED C=C[C@H](COC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1325638602 JFXZFVQDUSVTBX-CYBMUJFWSA-N 421.475 0.892 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C)CCOCC1 1510223974 SBMZRMAAGPXTFB-KBPBESRZSA-N 412.516 0.434 30 20 HCED CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1517240005 RMBHYPMOQJHJEY-OAHLLOKOSA-N 404.496 0.839 30 20 HCED CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1618845726 NWUFBEANPCKVAL-CQSZACIVSA-N 416.511 0.804 30 20 HCED N#Cc1cn(CC(=O)N2CCCC[C@@H]2COC(=O)NC2CCCC2)c(=O)nc1O 1629246215 YAAJFRRXEASMAB-OAHLLOKOSA-N 403.439 0.870 30 20 HCED N#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1643822854 XFBTVNNQSZTPNW-UHFFFAOYSA-N 415.313 0.785 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(Cc3cncs3)CC2)cc1 1648266371 IZAOBSFBRFOASQ-UHFFFAOYSA-N 405.505 0.637 30 20 HCED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648940295 UZRYUVUSPHBXTO-MRXNPFEDSA-N 403.458 0.752 30 20 HCED CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1cc(Br)ccc1C#N 1662057417 SAVSUHQNDORXAC-NSHDSACASA-N 410.315 0.927 30 20 HCED CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1729706582 UYNAWCYFQCCGGS-UHFFFAOYSA-N 423.481 0.868 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@@H](C)Nc3cnccn3)CCO2)C1 1778972222 SLKQWXMNTSTPDO-VWKPWSFCSA-N 417.510 0.680 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C)nc3O)C2)C1 1780268984 SVFZABJBULOBTB-IZRJCCQOSA-N 414.462 0.398 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)CC(=O)Nc3ccc(F)cc3)C2)C1 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C[C@]1(C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)NC(=O)NC1=O 443362670 ZNBCGZJLVAJKJY-MRXNPFEDSA-N 407.408 0.465 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(O)c([N+](=O)[O-])c2)CC1 444826899 IXXIBGJGSFOPOP-UHFFFAOYSA-N 417.403 0.714 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 446766106 CIKLRLPDMNAGEC-UHFFFAOYSA-N 413.478 1.035 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](CN2CCCC2)C1 460601904 OJMCFTNVSPYINJ-QGZVFWFLSA-N 407.478 1.330 30 20 HCED Cn1c(=O)nc(O)c2cc(S(=O)(=O)N3CC(Oc4ccc(C#N)cc4)C3)cnc21 460920824 INQWIIKBVUDBDX-UHFFFAOYSA-N 413.415 0.358 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(c2ncon2)CCOCC1 461550597 WBVIECLIUUMDDH-GFCCVEGCSA-N 405.436 0.430 30 20 HCED Cc1ccc(C[C@H](CO)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 467338084 YEJQKAJMBMDBFE-GOSISDBHSA-N 418.457 1.414 30 20 HCED CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 468072508 AWCMWOASUMFMHJ-OAHLLOKOSA-N 409.450 0.829 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)c1C#N 472073551 IIEYYOKPFUNZSE-HOCLYGCPSA-N 403.487 0.068 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCc2csc(N3CCCC3)n2)C1=O 476461332 OBEBYQCQCPOCJL-HNNXBMFYSA-N 405.524 0.647 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(CCC#N)Cc1ccccn1 476724758 LPCGZJOVPCLJSG-CQSZACIVSA-N 415.475 0.790 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(CCOC)C(=O)C2)c(C#N)cn1CCOC 481451564 MSNWDHDMPHGYIQ-UHFFFAOYSA-N 421.454 0.505 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H]2CCCS(=O)(=O)C2)c(C#N)cn1CCOC 481502590 PMMZLQBNZGFKSA-ZDUSSCGKSA-N 412.468 0.882 30 20 HCED C[C@H]1CN(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 481805944 JNPBJIUWBRNHOG-JKSUJKDBSA-N 420.535 0.937 30 20 HCED Cc1nnc2n1C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 482185740 SQGLKCSQFSMXHR-DOMZBBRYSA-N 402.480 0.504 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1=O 488045073 SSIJKINEEPQFEJ-ZDUSSCGKSA-N 422.800 0.677 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)c1 502313160 MTTWGFHMEIVQNW-UHFFFAOYSA-N 400.526 0.700 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)c(=O)n2C 505953103 FRZUXQIJXHRHNS-LBPRGKRZSA-N 420.351 0.834 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4c(c3)NC(=O)CNC4=O)C2=O)cc1 506868592 SIHFBSZDUZWPSZ-QGZVFWFLSA-N 417.425 0.771 30 20 HCED Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1S(=O)(=O)NCC#N 511009171 DQGPBFISKUEMPV-OAHLLOKOSA-N 407.540 0.410 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCCN2CCSCC2)n1 513024657 VQRUESMZFJYWPC-UHFFFAOYSA-N 402.455 0.987 30 20 HCED Cc1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1-n1cnnn1 516012769 WSMKVGODIRZUPO-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 532478203 UJEOOGZPKWVNHJ-TZQQIIETSA-N 403.527 0.729 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCCO1 533884665 KGXNEIGIGBATSB-HNNXBMFYSA-N 415.519 0.242 30 20 HCED CCCCn1c(=O)nc(O)c2c1nc(CN(C)CCCc1[nH]nc(N)c1C#N)n2C 535546489 YKSFVJYZFOQNBX-UHFFFAOYSA-N 413.486 0.877 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1C#N 536300390 IAAYFRSEVYKJLB-NSHDSACASA-N 422.515 0.089 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 543258739 OYAWUADSNCLBHT-CABCVRRESA-N 404.467 0.747 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccn(C)n2)cc1 546197375 FZTOXSKRSXOVRG-UHFFFAOYSA-N 405.480 0.524 30 20 HCED CN(CCNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)CC(F)(F)F 553079118 YQBXFBUNFVNIKD-UHFFFAOYSA-N 411.428 0.813 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(C#N)cc1 563289326 RSTFPEQAJNZKEH-CQSZACIVSA-N 418.461 0.761 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)n1 571575952 KHEIHDQLZKENAA-UHFFFAOYSA-N 417.495 0.844 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCC(=O)N2CCc3ccccc32)n1 573292913 UXTBGKDIEDPRPX-UHFFFAOYSA-N 415.413 0.783 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1=O 573833663 RHSDYWXIVAOQRS-OALUTQOASA-N 414.506 0.115 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1=O 576353879 LZXVEDZQNIVHPH-ZDUSSCGKSA-N 414.384 0.884 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)NCCn2cnc(C#N)n2)cc1OCC 583030324 HXJUHCGLBPKALD-UHFFFAOYSA-N 422.467 0.042 30 20 HCED COc1cccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 586840661 TVEZWSKQKFHXIW-KRWDZBQOSA-N 407.430 0.890 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1cncc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 589291320 DDQLNDHWYNBBHX-QGZVFWFLSA-N 417.495 0.452 30 20 HCED COc1ccc(CNC(=O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 589335554 OJBGIQLOTKYYTK-UHFFFAOYSA-N 416.459 0.278 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c1 607159126 PPZMHJTXRHASIQ-GOSISDBHSA-N 420.535 0.530 30 20 HCED N#Cc1ccc(CC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 609522167 TUBISAGDLSMYMQ-LJQANCHMSA-N 405.520 0.839 30 20 HCED COCCN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 609920446 MNEVQDFMDJUPOL-KRWDZBQOSA-N 421.523 0.295 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 673595193 ITIBOJQDJSUDIK-UHFFFAOYSA-N 409.508 0.619 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 727752264 HBAVJARMCLDLOC-IBGZPJMESA-N 411.487 0.933 30 20 HCED C#CCOc1ccccc1CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 734172710 RYGMDBQEGKGKEQ-UHFFFAOYSA-N 400.479 0.385 30 20 HCED C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1ccc(C#N)nc1 734601577 WKTFSHRSSUXNKO-LLVKDONJSA-N 400.416 0.735 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C 735753981 UAPFMSNVBDNDRU-FOCLMDBBSA-N 407.452 0.599 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 736269597 FHKPHBUKGYHJBZ-OLZOCXBDSA-N 413.521 0.539 30 20 HCED COc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC)cc1Cl 737308233 YPILYNUZRDDTHG-FOCLMDBBSA-N 422.825 0.938 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H]1CCOC1 743942069 XBJUAKWIZLGVQP-UMUMURGJSA-N 422.507 0.979 30 20 HCED Cn1cc(C[C@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 746627782 XAQLAAKTEVALSI-CQSZACIVSA-N 401.492 0.940 30 20 HCED Cc1nn(C)c(N2CCOCC2)c1C=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 755673596 KNLKCCPDEDOXFX-UHFFFAOYSA-N 422.467 0.927 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 758039392 CRNBDWGKQBXEGP-UHFFFAOYSA-N 423.494 0.650 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cccs2)c1=O 758085508 YGOBLBFQYMGGOV-UHFFFAOYSA-N 401.513 0.650 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)CCCOC)cc1)[C@H]1CCCO1 773788832 KOIIGLPULPXFNC-IAGOWNOFSA-N 408.476 0.732 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCC(N(C)C)CC2)c(F)c1 777287857 PXLRGOCYOXIHER-UHFFFAOYSA-N 405.474 0.713 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)C2=O)n(C)n1 780062363 ZMYCUDIGLCEART-UKRRQHHQSA-N 410.434 0.880 30 20 HCED Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780209424 JDIXYPLHOGZSFS-KRWDZBQOSA-N 403.416 0.729 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)c1 783464669 SJSPJFURHITIEB-UHFFFAOYSA-N 400.416 0.160 30 20 HCED COC[C@H](C#N)OC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 784953201 DIBGSRWQNAUDIL-NSHDSACASA-N 400.413 0.775 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCNc3ncccc3C#N)CC2)c1 787775739 BAAKQXZWBIIYAB-UHFFFAOYSA-N 404.434 0.097 30 20 HCED CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](CC(N)=O)c1ccccc1 794282758 UHMUVFZEVWXUTH-HNNXBMFYSA-N 400.460 0.800 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 799288203 XCSMKHGOEZFNGI-IBGZPJMESA-N 400.479 0.180 30 20 HCED COC[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)C1 810382836 UHDBIUUXHYFZKU-UHPIZROJSA-N 422.482 0.903 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 810778908 QRNHUTIZTYMTAK-AWEZNQCLSA-N 411.505 0.753 30 20 HCED O=C(NC1CC1)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 812038354 MPZIYKMWZQYYLQ-VUAZUDAXSA-N 405.455 0.966 30 20 HCED C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812198689 UMXPQLKUVWKLLU-MRXNPFEDSA-N 406.512 0.732 30 20 HCED COCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1 814883197 DKNWRAJYMPSZGI-UHFFFAOYSA-N 400.844 0.066 30 20 HCED CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N(C)[C@H](C)CC#N 1321728055 XJGRIMSQQIQZRY-ZIAGYGMSSA-N 418.516 0.950 30 20 HCED C#CCN=c1nc(N2CCCN3CCC[C@H]3C2)[nH]c(N2CCCN3CCC[C@H]3C2)n1 1328522869 LOTQTZCQNITKJU-OALUTQOASA-N 410.570 0.688 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c2c(nn1C)CCCC2 1475100033 OCXMJGSLQSCQEA-ZDUSSCGKSA-N 401.496 0.860 30 20 HCED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1475461102 RCXNZOHVAUUACZ-CMPLNLGQSA-N 403.254 0.865 30 20 HCED CO[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1503942377 XPIKIXWVQPPDHY-MCIONIFRSA-N 400.505 0.384 30 20 HCED C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCOCC1 1541120041 VFMBRYSJYBPHLY-SJORKVTESA-N 403.531 0.965 30 20 HCED CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1554240054 LUMBRXLENURYPS-HNNXBMFYSA-N 404.496 0.839 30 20 HCED COC(=O)c1ccc(OC)cc1S(=O)(=O)N(CCC#N)CCN1CCOCC1 1621753346 NNPDJEXZENHIJM-UHFFFAOYSA-N 411.480 0.718 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 1671521573 POTDMDJSDUSQIB-GFCCVEGCSA-N 424.449 0.941 30 20 HCED N#C[C@H]1CN(C(=O)NCCS(=O)(=O)C2CCOCC2)CCN1Cc1ccccc1 1681278836 MONZGGXLJCWAOZ-SFHVURJKSA-N 420.535 1.000 30 20 HCED COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1697636064 QCCGDBOTFDOZBC-CABCVRRESA-N 418.479 0.361 30 20 HCED COCCN1C[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1712469888 LVWCVVUUGVHELT-LPMFXHHGSA-N 419.461 0.166 30 20 HCED CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CCO1 1741104962 QLFRSNYLQBLGCZ-GOSISDBHSA-N 421.465 0.450 30 20 HCED Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)n(C)n1 1742661910 KBNHXQOOJCECGV-LRDDRELGSA-N 410.479 0.421 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1750208219 LQUZVGSRZJMBCU-HUUCEWRRSA-N 417.495 0.493 30 20 HCED N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)C1 1750379001 UUPZXYDVCHWVFR-LJQANCHMSA-N 412.429 0.498 30 20 HCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cn1 1768649386 XWZKCFONJQGPHG-PXAZEXFGSA-N 423.474 0.782 30 20 HCED CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1769379881 IHIBFCJLMXDWCM-UHFFFAOYSA-N 406.516 0.429 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778158600 JTGROLYLQZZKBT-HXUWFJFHSA-N 423.466 0.168 30 20 HCED Cn1cc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)cn1 1779102471 YWABVOKRWXUSRL-URNPZBAUSA-N 405.455 0.393 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H]3CNC(=O)C3)C2)c1 1781779848 YRSZGELMZDFFCY-NJNPRVFISA-N 410.474 0.822 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1782194928 QXLQKJMWZAGMGX-HXUWFJFHSA-N 420.433 0.320 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](O)C(C)(C)C)[C@H]2C1 1784023920 FWPUFBRYUVWESS-OVWQWFNUSA-N 410.511 0.883 30 20 HCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)CC)[C@H]2C1 1784443996 BHOACBSJUNXLRR-QZWWFDLISA-N 413.540 0.097 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784616863 XIKCKCBZVQJGOU-JLADKGLHSA-N 411.462 0.178 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)c1cc(O)no1 1788974708 MURLQJHVRZBWQL-GLTHTGBTSA-N 405.455 0.445 30 20 HCED COc1cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)ON=C(C)C)C[C@@H]32)nn1C 1789401970 CQLSPKICNATDIR-JKQORVJESA-N 421.498 0.823 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H](C)N(C)CC)C[C@@H]21 1789891688 OCUNQPIGBXWNLW-XSLAGTTESA-N 409.527 0.816 30 20 HCED CCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](C)ON=C(C)C)[C@H]2C1 1789952327 AYHOESJPFVHNJU-WOYTXXSLSA-N 410.515 0.682 30 20 HCED N#CC1(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COC(=O)C(F)(F)F)C[C@@H]32)CCC1 1792141052 PPKAFPKVLCLAHX-AVGNSLFASA-N 417.384 0.765 30 20 HCED C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCc1cccc(C#N)c1)C2 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CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc2ccnn12 1799902695 RFFWIGHJZIWHJM-HGKCTWBKSA-N 424.505 0.819 30 20 HCED C[C@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2)N1CCN(C)CC1 1799967335 DFZLJBCXZMSXJE-JZRSKUOQSA-N 418.586 0.732 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(C(N)=O)cc2)c1 1801654461 MQYAMCIZHSFZCR-ALXJQNPVSA-N 407.430 0.502 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1CCN(C(=O)C2CC(=O)C2)[C@H]1c1cccnc1 1802500230 XVBPDAMMWHLGHR-GLPQSPQZSA-N 410.474 0.925 30 20 HCED Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1803798212 RIEGBTOUXSLVNV-OXQOHEQNSA-N 409.446 0.840 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)[C@@H](O)NC(=O)OCC)CC2)C1 1806027210 WNBQTLBJKHTGGE-HZPDHXFCSA-N 411.499 0.873 30 20 HCED N#CCC(=O)N1CC[C@H](CNC(=O)c2cc(=O)n3[nH]cnc3n2)[C@H]1c1cccnc1 1807352452 GYNSIOYMKRBROQ-CXAGYDPISA-N 406.406 0.046 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1c1cccnc1 1810390623 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C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3csc(C)n3)C2)C1 1831386642 HULAWFHPOXNVQV-FOIQADDNSA-N 421.519 0.489 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3)C2)C1 1831391036 DWPQFYRSTOCWKU-UWJYYQICSA-N 401.463 0.498 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@](C)(O)C(F)(F)F)C2)C1 1831419571 NHYUHFJKUXVJRE-KBRIMQKVSA-N 424.416 0.347 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)c3cccn3C)C2)C1 1831438508 SZXWDGDKTLVKSU-HRAATJIYSA-N 419.478 0.255 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1831483844 PQSVXRQBOSNUHP-IEBWSBKVSA-N 408.524 0.430 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831668266 CLYPMBBVJUTGHJ-RBUKOAKNSA-N 412.490 0.659 30 20 HCED Cc1ccn(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)n1 1833080849 POBWJOLDEPZKNT-PKOBYXMFSA-N 410.540 0.602 30 20 HCED C#CCO[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@H](C)N(C)CC)CC2)CC1 1833466758 NWZDBLYWTFFEHW-ROUUACIJSA-N 406.571 0.937 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3ccc(CO)o3)CC2)CC1 1833468853 YPFMXLJFRNANGL-MRXNPFEDSA-N 417.506 0.995 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cnnn3C)CC2)CC1 1833896416 HKQCRWDWNMXOBC-QGZVFWFLSA-N 408.572 0.955 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc[nH]1)CCO2 1834103117 XTGOKWDDBVZUBE-OAQYLSRUSA-N 416.478 0.178 30 20 HCED CCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834990906 UAICUNZZTBSCBK-OAQYLSRUSA-N 417.462 0.430 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1835832067 ZATIBHIHNIPPMM-INIZCTEOSA-N 415.538 0.943 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccncc1)CCO2 1839058277 QZUKRYJJNOWJOS-HXUWFJFHSA-N 405.520 1.000 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ncc[nH]3)C2)C1 1839228972 VLYAAGTUNHFBSZ-OXQOHEQNSA-N 421.498 0.600 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840088416 CZMKTJUVQNZALZ-KUHUBIRLSA-N 410.471 0.270 30 20 HCED COc1ccc(CCC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@H](C)S)CCO3)cn1 1840158108 HAZNZGHTXHVPMR-YWZLYKJASA-N 423.535 0.798 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](CN)c3ccccc3)C2)C1 1840167508 UQKOZCGCCPEDIM-NFBKMPQASA-N 413.518 0.989 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CC3(OC)CCC3)CCO2)C1 1840614555 PKUVZQJJDFDODR-UWJYYQICSA-N 410.511 0.993 30 20 HCED CN1CCN(c2ccc(C(=O)N3CCCC34CN(C(=O)C#CC(=O)O)C4)cc2)CC1 1841036618 PUTSHVVCDWRPTE-UHFFFAOYSA-N 410.474 0.343 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)n4[nH]cnc4n3)C2)c1 1843009409 SGTGMXFSCPCUBO-UHFFFAOYSA-N 421.392 0.559 30 20 HCED O=C(CCc1ccc(O)nn1)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1 1844260007 GVSJBSJVUVHOCI-FYJGNVAPSA-N 400.483 0.790 30 20 HCED C=C(C(=O)N1CC2(CCCN2C(=O)Cn2cc(C)c(O)nc2=O)C1)C(F)(F)F 1846971192 QGRXBTGARBTKAM-UHFFFAOYSA-N 400.357 0.579 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2CCN(CCOc3ccccc3Cl)CC2)CCO1 409545391 XZALKOHEIDVVIK-HNNXBMFYSA-N 414.915 0.806 30 20 HCED 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N#CCCn1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Cl)n1 441656510 GEZWBXAFBKPZTP-HNNXBMFYSA-N 400.826 1.088 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCN1CCN(c2ncccn2)CC1 443102552 IDDGLFKTBZBMOX-UHFFFAOYSA-N 417.451 0.357 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1OC(F)(F)F 443347346 OIERLSZTCSQBBX-NSHDSACASA-N 420.369 0.675 30 20 HCED C[C@@H](Nc1ccn(CC(=O)N2CCOCC2)n1)C(=O)N(CCC#N)c1ccccc1 444415776 VPJMISWCZMJCQR-QGZVFWFLSA-N 410.478 1.489 30 20 HCED C[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)CN1CCN(C)CC1 464907246 FQFORKOIJGWPFU-DLBZAZTESA-N 400.531 0.452 30 20 HCED CCOC(=O)C1CCN(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 465491217 KFDQHQBSQMRWJM-AWEZNQCLSA-N 422.511 0.379 30 20 HCED Cc1ccc(C(=O)N2CCN(CCOC(C)C)CC2)cc1S(=O)(=O)NCC#N 470228555 QFQUDLSYEHFDFL-UHFFFAOYSA-N 408.524 0.980 30 20 HCED C[C@H](CCN1CCN(C)CC1)NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 472110812 PMBXJRCJJDJMAZ-MRXNPFEDSA-N 407.540 0.321 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2ccncc2)CC1 479905697 SSYHJZGDWHBGMD-INIZCTEOSA-N 413.503 0.964 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-n3cccn3)c(F)c2)CC1 480088578 YEFLZWSHVWHREL-UHFFFAOYSA-N 414.441 0.396 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cnccn2)CC1 480109945 PDOMTCNPHULNPI-AWEZNQCLSA-N 400.464 0.364 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2n1CCCCC2 480428878 RRSAFOYYIKMWSO-CYBMUJFWSA-N 402.480 0.859 30 20 HCED C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OC 481608650 WPXANNMPOXWXOH-HNNXBMFYSA-N 418.493 0.150 30 20 HCED C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 499314376 IKDGCADMNGGGEJ-CHWSQXEVSA-N 401.510 0.772 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)NCCCNS(=O)(=O)c1ccccc1Cl 499731114 DJVKRMLTMVNERK-GFCCVEGCSA-N 408.933 0.934 30 20 HCED C=CCN1CC[C@H](N(C)[C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1=O 500015893 UBDVRPVDDLWKGF-PBHICJAKSA-N 408.524 0.983 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 501000038 JJSVOZCWWWCVHJ-MGBSGCIJSA-N 403.435 0.924 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1 505690667 URUJCQBZUWHMGL-UHFFFAOYSA-N 423.498 0.207 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 509410508 MJGSSYXMXZUXNU-ZDUSSCGKSA-N 410.525 0.352 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 510584333 LZMZXLOAFPHOBI-LBPRGKRZSA-N 416.516 0.704 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C)cc2)c1=O 523089477 FRCAKKHKLMMXEX-UHFFFAOYSA-N 415.515 0.520 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC2(C#N)CCN(C)CC2)cc1 530577046 VYEBIMOXSNRGRX-UHFFFAOYSA-N 408.480 0.246 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCN1CCN(C)CC1 532449440 UONJYVCPQVOPGZ-MRXNPFEDSA-N 407.540 0.369 30 20 HCED Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC3(C#N)CCOCC3)CC2)c1 534588784 YSMNJXDQUCLFED-UHFFFAOYSA-N 406.508 0.636 30 20 HCED COCCCNC(=O)CN(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 539461953 UHTZQMZQVWTEGM-INIZCTEOSA-N 407.540 0.541 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 542343264 MUDZBWZMUSYGID-ZDUSSCGKSA-N 424.479 0.014 30 20 HCED CCOC(=O)[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCOC1 543485783 JLHPNTNFBAWKQO-YJBOKZPZSA-N 419.482 0.451 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCCS(=O)(=O)NC(C)(C)C 545905248 NORQKINONPKTLV-UHFFFAOYSA-N 405.484 1.287 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cn1C 548698049 GBTYGNHWWLIXIQ-UHFFFAOYSA-N 408.440 0.434 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 552935625 SRFUXIRRSHPCJO-UHFFFAOYSA-N 404.486 0.757 30 20 HCED N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 554891745 GHOGRLXQQZCHJX-UHFFFAOYSA-N 402.454 0.486 30 20 HCED Cc1cccc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 575082169 VXWVWRPGYHBMCC-LJQANCHMSA-N 405.458 0.838 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)C2=O)cc1 588056075 UOXITEJLOPEIKK-HKUYNNGSSA-N 409.490 0.770 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)[C@H]1CN(C)CCO1 589138347 BOSLXXNDIVBXPU-KBXCAEBGSA-N 419.913 0.696 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 604017939 QRLBTLNXTNAHGH-GFCCVEGCSA-N 419.912 0.526 30 20 HCED Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1S(=O)(=O)NCC#N 608868050 RKLFDLRXTWIODW-KRWDZBQOSA-N 406.508 0.734 30 20 HCED CN(C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O)c1ccccc1 609570950 VFGAMTUHLNFIAH-UHFFFAOYSA-N 424.507 0.623 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)cn2)c1 609603246 FCECXBSOCUJCPX-UHFFFAOYSA-N 408.374 0.352 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2=O)cn1 609815912 FGCDVDJNBHXWHV-MJGOQNOKSA-N 407.478 0.945 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 610797086 DSNLWAFWAGNDAR-RDJZCZTQSA-N 406.508 0.548 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C 615255737 RLVFPICFYIZOTH-UHFFFAOYSA-N 402.451 0.795 30 20 HCED Cn1ncc2c1C[C@@H](C(=O)NCC#CCNC(=O)[C@@H]1CCc3cnn(C)c3C1)CC2 684979958 OQBDMYMHBJRCHG-IYBDPMFKSA-N 408.506 0.299 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1 728532340 VQHHGWVNXBILHI-UHFFFAOYSA-N 405.886 0.033 30 20 HCED N#CCNC(=O)COC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 731240763 MSBBWLPHXIKOSC-UHFFFAOYSA-N 411.344 0.542 30 20 HCED CN(CCOC(=O)CSCc1ccc(C#N)cc1)S(=O)(=O)N1CCOCC1 731292101 SRBDSTBLXXUURU-UHFFFAOYSA-N 413.521 0.843 30 20 HCED Cc1cccc(N2C[C@H](C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)CC2=O)c1C 732909772 GKKLFJATOHQPAB-HZPDHXFCSA-N 417.487 0.622 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1 733364612 NYNFJWPUOQWUTP-UHFFFAOYSA-N 411.418 0.746 30 20 HCED CNC(=O)C1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742593456 POVXFTIUQKETJP-HSBZDZAISA-N 406.508 0.925 30 20 HCED CS(=O)(=O)CCOCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 743640046 NRIDDLWHCMMILC-UHFFFAOYSA-N 408.524 0.837 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 744907468 SBWIAZCIJATGGJ-JSGCOSHPSA-N 417.418 0.963 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)n2)cc1 749629152 TYSZVHAYHDRKSR-UHFFFAOYSA-N 415.417 0.632 30 20 HCED C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 753384126 VOXAODCPFJKSQA-UHFFFAOYSA-N 415.493 0.200 30 20 HCED C#CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2cnn(C)c2)c1=O 758060379 ZLCLMKJFHIWRCX-UHFFFAOYSA-N 403.467 0.443 30 20 HCED COCCN(CCOC)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758645553 RHRUCJKNKOHSNN-KBPBESRZSA-N 406.505 0.175 30 20 HCED C[C@H](CC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21)/N=C1/NS(=O)(=O)c2ccccc21 758776761 MZRKROIMSQPIRN-BPLDGKMQSA-N 404.492 0.773 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760377291 IQJALLQQPWUFNV-UHFFFAOYSA-N 420.922 0.941 30 20 HCED C#C[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 760519052 ZZRLXAFSWJZTIP-ZYHUDNBSSA-N 405.398 0.756 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1cccnc1 763461108 YDKBYTDXWKJJHG-UHFFFAOYSA-N 421.526 0.915 30 20 HCED C[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCS(=O)(=O)C1 764471780 NGQWTIOEIOVPAU-MCIONIFRSA-N 400.501 0.822 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cncs2)c1=O 767885189 ZJLMPSOPMNPNTB-UHFFFAOYSA-N 422.532 0.059 30 20 HCED C#CCN1CCN(C(=O)CNc2cc(F)ccc2C(=O)N[C@H](C)C(=O)OC)CC1 768384066 BSBRVKLDUZSVQZ-CQSZACIVSA-N 404.442 0.306 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 769640928 LRAWWGRZEXWLKT-UHFFFAOYSA-N 413.411 0.676 30 20 HCED Cc1cc2c(cc1C)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCS2 777443486 LICUOAVLBCHUEI-UHFFFAOYSA-N 408.505 0.879 30 20 HCED CCN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1=O 779251534 UENPAEQSQIAPKQ-CYBMUJFWSA-N 406.508 0.973 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 780481899 VXUBWMZCMWKJCI-UHFFFAOYSA-N 404.474 0.950 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)(C)O 784065420 HWYDPUISZLIQQO-GHTHLWOPSA-N 410.496 0.714 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)CC1 787480186 JWCVWXUEQLQKPD-UHFFFAOYSA-N 411.462 0.451 30 20 HCED COC(=O)c1cc(S(=O)(=O)NCC(=O)NCC#N)c(Br)cc1F 796217064 KJLUPUVINYAXKJ-UHFFFAOYSA-N 408.205 0.293 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(N)(=O)=O)ccc1F 798331890 MUSXMYNSEBBPCZ-LLVKDONJSA-N 404.427 0.486 30 20 HCED C#CCC[C@@H](O)CNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 798372505 YWRBGYJWLWKBKK-SJORKVTESA-N 409.508 0.717 30 20 HCED C=CCN1CC[C@H](OC(=O)c2cncc(C(=O)O[C@H]3CCN(CC=C)C3=O)c2)C1=O 798597171 NPEOBBPAZMUAHC-IRXDYDNUSA-N 413.430 0.969 30 20 HCED CCOC(=O)C1=C(COC(=O)[C@H](C)n2cnc(C#N)n2)NC(=O)N[C@H]1c1ccco1 798748591 YRPMRQWJTPKNEE-BONVTDFDSA-N 414.378 0.718 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 799287912 VEKYLDWJAGIARP-MRXNPFEDSA-N 421.519 0.999 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCOc3cccnc3)C2=O)cc1 804075884 LIRKNVPGHAXOHX-GOSISDBHSA-N 407.430 0.366 30 20 HCED CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 806892535 HREBNCIXKCHUMN-UHFFFAOYSA-N 403.258 0.315 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1)[C@@H]1CCCO1 809307107 YSASGCSYFNEXAX-SJORKVTESA-N 403.866 0.921 30 20 HCED COc1ccccc1N1C[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1=O 813984478 WCGONGGYKWNZNO-CYBMUJFWSA-N 400.416 0.820 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 814546951 PCUHEAZSEJLBJA-HNNXBMFYSA-N 409.464 0.966 30 20 HCED C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 815478114 IXJRULKSXFPDDI-KCJUWKMLSA-N 405.354 0.821 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCO1 815848792 JNDDOQDZKJXHSS-SFKFPXOQSA-N 408.480 0.685 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2nnn(-c3ccn(C)n3)c2C)cc1 815913009 FSAFNCZHIRPSOZ-MRXNPFEDSA-N 407.434 0.999 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl 815941321 XXSBLAXJKIHXRB-BETUJISGSA-N 407.835 0.968 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CCCN2C(=O)CNC2=O)cc1C(F)(F)F 916180800 XUFVLLCJUAEEJE-UHFFFAOYSA-N 418.353 0.714 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCCNS(=O)(=O)c2ccccc2)cc1 920527995 IAZMTENWISGZSF-UHFFFAOYSA-N 422.484 0.995 30 20 HCED CN1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)CC1 1109301860 NNTAXAHZJOBOMS-JGLNRKDHSA-N 403.527 0.095 30 20 HCED CCOC(=O)Cn1nc(C)cc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1144355792 PCWWUCXGOXSUNP-UHFFFAOYSA-N 419.463 0.822 30 20 HCED N#Cc1cn(CCNC(=O)CNC(=O)c2ccccc2C(F)(F)F)c(=O)nc1O 1167523770 RPHRXVHERCHSJT-UHFFFAOYSA-N 409.324 0.386 30 20 HCED N#Cc1cn(CCNC(=O)CSc2nccn2Cc2ccccc2)c(=O)nc1O 1301213275 MHXWXTKSJFLMNX-UHFFFAOYSA-N 410.459 0.974 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1306201519 YPENIGFGTASCHU-QGZVFWFLSA-N 409.494 0.929 30 20 HCED CS(=O)(=O)[C@H]1CCCN(CC#CCN2CCC[C@@H](S(C)(=O)=O)CC2)CC1 1322277943 QSOIFADXUOIPHE-HDICACEKSA-N 404.598 0.788 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(C(=O)NCCCO)CC2)cc1 1322710724 YBVOXIIEJOKBET-UHFFFAOYSA-N 407.492 0.210 30 20 HCED 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COCCN(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698024968 DBMAYIJFBAQLAJ-MJGOQNOKSA-N 417.558 0.927 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CCCS1 1723956123 QPVQYAMKFLKFRX-ZENOOKHLSA-N 414.557 0.903 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CCO1 1769242498 OXQIABJEIHVGQK-GOSISDBHSA-N 420.477 0.744 30 20 HCED C[S@@](=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1771369517 PCSFFKHJGJXSFU-CAMPQQCRSA-N 415.479 0.565 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCCO1)CCO2 1779099200 SCTOPPHWAGPFJR-ILSLNFBPSA-N 409.483 0.914 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103741 YFOOYZWNUSDIAE-QKAUEFMNSA-N 422.482 0.036 30 20 HCED Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)o1 1779104758 NRKKZOAVOFMEBX-VYUJJKDHSA-N 421.454 0.279 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780597251 NMURBBQQCRUZDV-UZLBHIALSA-N 416.434 0.066 30 20 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GSAXKSQPRLGHLQ-KXBFYZLASA-N 407.471 0.589 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4sccn4c3)C2)C1 1840041978 SVRPKKKROWGPHF-LJQANCHMSA-N 417.443 0.159 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)Cn2ccnc2)CCO3)C1 1840428752 VXKAYIMDRXFCHD-LAUBAEHRSA-N 402.495 0.942 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H]2CCOC2)CCO3)cc1 1840532149 IVVCWDQCLKRODI-KNQAVFIVSA-N 413.474 0.594 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1 1840882517 PIIJQSDCTYZKPP-FQEVSTJZSA-N 409.483 0.582 30 20 HCED N#Cc1ccc(CCC(=O)N2CCCC23CN(C(=O)Cn2ccncc2=O)C3)cc1 1841006697 GNQWNNRPANZSTH-UHFFFAOYSA-N 405.458 0.951 30 20 HCED CN1N=C(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@@H]2CCCCO2)C3)CCC1=O 1841864878 XVGDOLYBXUXBMY-MLHZQLSASA-N 405.455 0.327 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nncn1C 46961899 CMKNXNSINLCAEC-ZDUSSCGKSA-N 403.468 0.464 30 20 HCED Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 105293920 BLFSCJWBAIWIDU-UHFFFAOYSA-N 408.418 0.380 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O 410117874 GNMZGCMUUNEDTB-QGZVFWFLSA-N 410.496 0.493 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C2CCC2)CC1 431041776 ZBZNKQSOYGHLAE-UHFFFAOYSA-N 423.542 0.697 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)c2ccc(C#N)nc2)c1 433763494 VSFMCEOCWYQRGQ-UHFFFAOYSA-N 415.435 0.767 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CCN2CCN(c3ccccc3)CC2)n1 441111488 ILEREISMWMHOLN-UHFFFAOYSA-N 423.521 1.555 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 443420442 UDXNZFCUHSQNFC-UHFFFAOYSA-N 401.408 0.570 30 20 HCED CSCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccsc2)c1=O 443552665 NWPLOAIDIQMSFB-UHFFFAOYSA-N 421.569 0.696 30 20 HCED COc1ccc(OC)c(CN(CCO)C(=O)C(=O)Nc2ccn(CCC#N)n2)c1 444567203 GWOSCCGQEBRIGJ-UHFFFAOYSA-N 401.423 0.774 30 20 HCED C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H](C)N1CC(=O)N[C@](C)(C#N)C1CC1 448525309 PRHJDZBUYKQLJG-VYXDICFBSA-N 414.554 0.998 30 20 HCED CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 467285836 LWHQIGJHDURMCV-QGZVFWFLSA-N 423.477 0.016 30 20 HCED CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472278161 NFPKVKHOUWHOPL-QGZVFWFLSA-N 422.555 0.843 30 20 HCED C=CCN(CC(=O)Nc1cc(-n2nnnc2C)ccc1F)[C@H]1CCS(=O)(=O)C1 472724090 GYXPOQCNJAWTFX-AWEZNQCLSA-N 408.459 0.723 30 20 HCED Cc1cc(NC(=O)CN2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 478430359 MBFGTPBIUCEWDC-UHFFFAOYSA-N 417.491 0.885 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 480950107 CUPAAVRHSWCVFW-HUUCEWRRSA-N 418.460 0.918 30 20 HCED C[C@@]1(C2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)NC(=O)NC1=O 481143467 RYLLANIUOTULRX-SFHVURJKSA-N 403.826 0.987 30 20 HCED Cc1cccc(N(CCC#N)C(=O)CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)c1C 482054691 JHHUFBLVWBTVAM-INIZCTEOSA-N 412.450 0.577 30 20 HCED COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)CC#N)c(=O)n2Cc1ccccc1 484840707 YUIPMLNRHJRYOG-HNNXBMFYSA-N 424.461 0.473 30 20 HCED N#Cc1ccc(CSCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 502726897 XCOUMXVGWAYNOA-DLBZAZTESA-N 409.533 0.405 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505165616 LKIFJTYGJJXMPY-QGZVFWFLSA-N 410.434 0.651 30 20 HCED Cc1sc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 508295362 IORFCQWCCOODGZ-UHFFFAOYSA-N 420.516 0.931 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(OC)c3OC)n2C)CC1 508406805 QHQFCJNYHHTEKC-UHFFFAOYSA-N 400.483 0.924 30 20 HCED CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 509275777 WQJDMBGRCQMUSR-GDBMZVCRSA-N 409.450 0.887 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)C2)n1 510150578 WTSUFODXHDJDJY-WBVHZDCISA-N 405.524 0.876 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 513190170 QRKQVJXGRPGBRE-CYBMUJFWSA-N 414.397 0.185 30 20 HCED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCO[C@@H](C#N)C1 517307583 RKAUTWVAZRFUJJ-KBXCAEBGSA-N 423.491 0.902 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3cnn(C)c3)CC2)c1 519282018 WGPIYLQGBFYXAA-UHFFFAOYSA-N 403.508 0.842 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1CCc1ccccn1 523857595 PMDIVYRXUKSCCQ-UHFFFAOYSA-N 408.458 0.936 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N2C[C@@H]3CCCN3c3ccccc32)CC1 530920895 AASLOWUQGLVTBL-KRWDZBQOSA-N 411.506 0.448 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 533380400 KUNQLUAUHXURSA-JKSUJKDBSA-N 412.899 0.238 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(S(N)(=O)=O)CC2)CC1 538376110 ROYOTHMPAQAKLI-HNNXBMFYSA-N 411.553 0.210 30 20 HCED C=CCNC(=O)CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 538594626 FJXHLWNIWCUIEC-KRWDZBQOSA-N 407.492 0.851 30 20 HCED CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCCCC#N 541451919 UBKAGNCBQZSEBC-CQSZACIVSA-N 421.928 0.842 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCC(=O)NCC3CC3)n2)c(Cl)c1 542062052 SYCSNQPAIGYRAB-UHFFFAOYSA-N 400.826 0.978 30 20 HCED C=CCn1c(Cc2noc(-c3c([N+](=O)[O-])c(C)nn3C)n2)nnc1N1CCOCC1 547059341 UVKXOMNDOILMLC-UHFFFAOYSA-N 415.414 0.892 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 554291685 CXMLKZCXOXWYSF-SFHVURJKSA-N 423.525 0.789 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCOCC2)C1=O 555740349 BASKLNLFYBXWBO-LJQANCHMSA-N 414.506 0.380 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H](O)COc1ccc3c(c1)OCO3)CC2 555800106 ZIASDENTTZZBOD-HNNXBMFYSA-N 409.398 0.732 30 20 HCED CC(=O)NCCN(C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C1CCSCC1 562758725 LRNDTJDDROIUHU-UHFFFAOYSA-N 420.539 1.309 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCCOC[C@H]3CCCO3)CC2)cc1 574998203 MBOCBDXFFPTGFW-HXUWFJFHSA-N 414.506 0.904 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 576265792 AAVBTJAVRXFEOK-WBVHZDCISA-N 406.458 0.771 30 20 HCED CN(Cc1nnc2n1CCCCC2)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 578403899 ZTUNHGRXDNXOJP-UHFFFAOYSA-N 402.480 0.813 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 581219154 GCURPISWQNCDFO-CYBMUJFWSA-N 402.484 0.976 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)C2)nc1 590272865 PYKNOAMWWHOMCC-AWEZNQCLSA-N 407.386 0.903 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)C2CCN(CCc3ccccn3)CC2)C1=O 591169062 XPBQVDSQPDUZQA-UHFFFAOYSA-N 413.478 0.524 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N2CCN(CC(F)(F)F)CC2)CC1 600875926 BXOMDBVTJZIDLO-UHFFFAOYSA-N 410.400 0.308 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)NCCCOC)n(CC)c2=O)c1 603994843 CJPBMCCQWOWZHA-UHFFFAOYSA-N 415.515 0.984 30 20 HCED COCCN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 609138777 YVTTWZSGISKPEH-UHFFFAOYSA-N 417.509 0.258 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 609778366 PFFUVFUJSZFAEU-UHFFFAOYSA-N 404.430 0.526 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NC2CCN(CC#N)CC2)c(OC)c(OC)c1 610377903 KXOCVZOODKREBM-UHFFFAOYSA-N 404.423 0.533 30 20 HCED CCN(C[C@H](C)C#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 611633178 SDAFEWDABSGCKJ-IPYPFGDCSA-N 410.452 0.727 30 20 HCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@](F)(C#N)C3)cc2)CC1 615632444 OLODUVFLZIDVCV-HXUWFJFHSA-N 401.442 0.406 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619707275 DUKVJPXGWVFWEK-UHFFFAOYSA-N 408.484 0.653 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N[C@@H](C)Cc2c(F)cccc2F)C1=O 726043645 WYXDAWXEJRUSIT-NSHDSACASA-N 423.372 0.532 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 729764067 XQRUIIQRTLODQZ-UHFFFAOYSA-N 407.448 0.137 30 20 HCED C#CCOc1ccccc1CNS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 734150650 LUPZORVBEFSHQL-UHFFFAOYSA-N 400.416 0.525 30 20 HCED C=CC[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccncc1 734684139 UCHBWJKXXFGGKX-QGZVFWFLSA-N 401.467 0.411 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c(=O)n(C)c1=O 735208765 RQXXMKPCTVBFDG-UHFFFAOYSA-N 416.337 0.093 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2sc(C)cc2Br)CC1 742290104 KATBHVAOFDWHCW-UHFFFAOYSA-N 420.354 0.875 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1CCOC 747080900 SPEMNTNSTLZBRG-UHFFFAOYSA-N 409.414 0.407 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 747545976 MONVEQGARQHROY-MSUUIHNZSA-N 419.463 0.775 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1 747738718 MDWSTOCTMBKSOA-UHFFFAOYSA-N 420.535 0.801 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1nc(O)n[nH]1 747995645 IYIRCOQJTGWUJF-CYBMUJFWSA-N 420.495 0.857 30 20 HCED COc1ccc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1C#N 749523661 YKEFUJQENXEYJQ-MRXNPFEDSA-N 413.521 0.201 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cn(-c3cccc(C)c3)nn2)C1=O 752542973 CBQAOZGRSDCGLX-UHFFFAOYSA-N 411.374 0.278 30 20 HCED COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)c[nH]1 753356650 FMVWVRKXBXYVDN-UHFFFAOYSA-N 419.422 0.139 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 753469149 ZECVRUDRJIZHBK-HNNXBMFYSA-N 416.521 0.475 30 20 HCED COc1ccc(CCC(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1O 754965271 XTSZFNNBONIDLC-UHFFFAOYSA-N 410.452 0.085 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCCOC)c1=O 758049823 KNHDKYUWIPHVTK-UHFFFAOYSA-N 423.494 0.350 30 20 HCED C#CCN(CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 765059729 LPVNEZVWBZBZPO-UHFFFAOYSA-N 409.483 0.921 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)cn1C 766742376 CBRVKNDWYFZLFZ-UHFFFAOYSA-N 416.459 0.342 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 766977791 MFGRBPYNZJAFDU-MWDDYTRKSA-N 415.427 0.179 30 20 HCED CC#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 767668930 XKFPRMLCIDNRSN-UHFFFAOYSA-N 411.480 0.861 30 20 HCED CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccon1 767886775 AXBRIMVTHAOFQA-UHFFFAOYSA-N 415.500 0.678 30 20 HCED Cc1nc2scc(C3CC3)n2c1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897736 QXDDFATYGHPXIH-UHFFFAOYSA-N 422.492 0.291 30 20 HCED CCOC(=O)CON=C(C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21)c1cc[nH]n1 772277903 SGVHDICBNFVVDK-CYBMUJFWSA-N 406.420 0.338 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1=O 773785969 CNBSEOVFFJIZBM-QWHCGFSZSA-N 408.455 0.867 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774512649 YUGIGDPSYJLWTH-UHFFFAOYSA-N 408.483 0.254 30 20 HCED C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CN2CCSC[C@H]2C#N)C1=O 774641836 CABWRSUQOXTVGW-DYVFJYSZSA-N 408.505 0.756 30 20 HCED C#C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCCO1 774867484 XZENAVWHUUZWNQ-FHWLQOOXSA-N 403.454 0.612 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)OC)c(F)c2)CC1 783333105 OPPOVAJBLBALFA-UHFFFAOYSA-N 421.429 0.389 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)c1C#N 793710587 STTUNMZIJSXGEA-HNNXBMFYSA-N 401.515 0.239 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@@H](C)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 798589173 WMALJDCCUGGVQG-CJNGLKHVSA-N 423.491 0.385 30 20 HCED C=CCN1CC[C@H](OC(=O)c2ccc(C(=O)O[C@@H]3CCN(CC=C)C3=O)nc2)C1=O 798596333 FDHGCCFIONSXQX-DLBZAZTESA-N 413.430 0.969 30 20 HCED C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 798747039 BNFSTLKSCKQFOS-VXGBXAGGSA-N 420.451 0.531 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 800009757 YVGNJIIKJHNDKD-HNNXBMFYSA-N 403.549 0.855 30 20 HCED CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1ccc(F)cc1OCC#N 800660051 HBVIWXNVYDYWOO-DGCLKSJQSA-N 412.443 0.501 30 20 HCED CN(CCCC(=O)NCCn1cnc(C#N)n1)C1=NS(=O)(=O)c2ccccc21 803551196 RXXSCSHBQWVXPV-UHFFFAOYSA-N 401.452 0.127 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1 807298869 HPTUSXKKQPJXEZ-OAHLLOKOSA-N 407.492 0.767 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)n1 809236247 KGBYMFWIXVFIDI-PCNYRWPCSA-N 422.551 0.687 30 20 HCED CCOC(=O)C1=C(Cn2cncc(C#N)c2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 809970087 MWBDZVBRNUPCQD-QGZVFWFLSA-N 409.402 0.995 30 20 HCED COCCN1C(=O)/C(=C(\Nc2cccc(C#N)c2)[C@@H](F)C(=O)OC)C(=O)NC1=S 814375588 IFEWQABALCKBIO-NXXVSJRMSA-N 420.422 0.625 30 20 HCED 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Cc1nc(N)sc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835342696 KZPJTGWSUPRSFH-SFHVURJKSA-N 405.480 0.408 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc([N+](=O)[O-])[nH]4)C3)C2)CC1 1835345520 OZNZUTJBMAIDQD-GOSISDBHSA-N 403.395 0.297 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3)CCO2)C1 1835378034 MECPGVHTMNNXBZ-RXVVDRJESA-N 424.542 0.730 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](N)c1ccccn1)CCO2 1835707638 MGVZFZDNXPKGRL-MDKPJZGXSA-N 402.495 0.750 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)no3)CC2)CC1 1835973243 QMJKUXYQWLEHRX-CQSZACIVSA-N 404.467 0.604 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnnn3C)C2)C1 1837300224 CSENDDNVBOVPRW-OXJNMPFZSA-N 403.483 0.654 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(Cl)c3nncn3c1)CCO2 1837373030 OOVANVCLZNFCST-SFHVURJKSA-N 403.826 0.086 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1837395041 OKZLXLCLWJOLTK-LAUBAEHRSA-N 405.495 0.668 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(F)n3)CCO2)C1 1837902201 LWCXIESOVNKRFG-QRWLVFNGSA-N 407.442 0.882 30 20 HCED CCc1oncc1C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838734546 AEYIMONURZCDCB-HXUWFJFHSA-N 413.434 0.821 30 20 HCED CC(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838908373 WXETUAWECPEURT-BTYIYWSLSA-N 414.462 0.153 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(O)cc3F)CCO2)C1 1839315029 QKAUXMGMOXAHFO-QVKFZJNVSA-N 420.437 0.640 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](O)c3ccco3)C2)C1 1839886940 QTDOFQAJDQRYRG-MAUKXSAKSA-N 414.405 0.981 30 20 HCED Cc1ncc(/C=C/C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)s1 1840044513 ZLGLUBPURYRQFR-PHXNAMCJSA-N 419.459 0.009 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840106319 JXVKNKVUSHQWGG-DYESRHJHSA-N 407.511 0.668 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4ccnn4c3)C2)C1 1840163582 KOAQWEAXZFTUMX-IFXJQAMLSA-N 404.492 0.723 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCNC(=O)C1)CCO2)C(F)(F)F 1840233490 LYRCEXMGLVADMT-CXAGYDPISA-N 419.400 0.088 30 20 HCED N#Cc1cc(CC(=O)N2CC3(CCCN3C(=O)C[C@H]3NC(=O)NC3=O)C2)ccc1F 1841961718 XXHFQINOOMRDOJ-OAHLLOKOSA-N 413.409 0.041 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1843837062 WITHUWADDQCWAS-HNNXBMFYSA-N 413.540 0.453 30 20 HCED C=CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1n[nH]c3ccc(C#N)cc13)C2 1844372642 UQJXARGFCVAOLO-ZDUSSCGKSA-N 406.446 0.942 30 20 HCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197514 YPPJKWCQBCKIJX-KRWDZBQOSA-N 415.421 0.164 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O 1848029981 LJQMPOHAQAYMGA-HOTGVXAUSA-N 418.570 0.791 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])cn1 1848165958 YADRPOLOXGUUCN-IRXDYDNUSA-N 415.450 0.692 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N2CCSc3ccccc32)c1=O 25521830 FUOAAYNMUJMUMB-UHFFFAOYSA-N 400.460 0.683 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)n1 426808098 KRFTYDVYCNQSDJ-HNNXBMFYSA-N 409.450 0.258 30 20 HCED N#CCCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 427651689 RFYATZSLNYDZQR-LBPRGKRZSA-N 406.386 0.648 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 437494455 MINKOVNNSFHPFS-CRAIPNDOSA-N 407.492 0.518 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 439207635 USJHVQZHJQATLG-HOCLYGCPSA-N 400.435 0.792 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)C1=O 440278342 ZZEXHPDVWKYBGY-MRXNPFEDSA-N 412.446 0.914 30 20 HCED COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(F)cc1C#N 442324370 NPRBQTOEWFXYTL-KBXIAJHMSA-N 403.366 0.587 30 20 HCED C[C@H](O)CN(C)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 444349618 FFXJBCHNTPZYSP-HNNXBMFYSA-N 408.524 0.482 30 20 HCED CN1CCOc2ccc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)cc21 446527108 PACGBGJOMPFTOL-UHFFFAOYSA-N 401.467 0.528 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCc1cn2c(n1)CCCC2 460596351 GKYFBZRTLIQMAN-UHFFFAOYSA-N 418.461 1.278 30 20 HCED Cc1ccc(C(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 461204343 WGOBIGLOIYJFDF-INIZCTEOSA-N 406.508 0.591 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)CCC(=O)Nc2ccc3nc(O)[nH]c3n2)cn1 461749182 TVJZLLPBGPBTPQ-UHFFFAOYSA-N 417.389 1.473 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)C1=O 468424587 CUJWGHFPDKJWKZ-OAHLLOKOSA-N 401.419 0.756 30 20 HCED COc1ncc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1C(N)=O 475551869 ZDSGTFDABWDISE-UHFFFAOYSA-N 403.420 0.552 30 20 HCED CCn1cc([C@H]2CS(=O)(=O)CCN2C[C@@H](O)COc2ccc(C#N)cc2)cn1 482972221 AGNXNHHVCQTNQN-IEBWSBKVSA-N 404.492 0.986 30 20 HCED C[C@H]1CCc2c(sc(NC(=O)CCN3CCN4C(=O)C(=O)NC[C@H]4C3)c2C#N)C1 485425083 AEDMGIZSUIYZGP-STQMWFEESA-N 415.519 0.716 30 20 HCED N#CC(C(=O)[C@H]1CCOC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 489014138 OJUREYJQOUTAPN-JSGCOSHPSA-N 417.512 0.654 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(-c3n[nH]c(C)n3)cc2)CC1 491246609 IHZKLEJSGLWKDD-UHFFFAOYSA-N 411.466 0.165 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccnn1-c1ccc(C#N)cc1)c(=O)n2C 497944115 MCZNLFKVCLJYGG-UHFFFAOYSA-N 404.390 0.130 30 20 HCED CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 498322080 HPKHQXNKJIILKV-UHFFFAOYSA-N 417.285 0.705 30 20 HCED CC(C)Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccnn2C)c1=O 502011517 QZEUFAAYKCXDCP-OAHLLOKOSA-N 415.519 0.098 30 20 HCED CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 504607415 PQDMNHZKZHCSFU-GOSISDBHSA-N 408.462 0.952 30 20 HCED N#C[C@@H]1CN(C(=O)CSCC(=O)N2CCOCC2)CCN1Cc1ccccc1 511789450 CMVWARMDHBLOMC-GOSISDBHSA-N 402.520 0.815 30 20 HCED COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC(=O)NCC#N)CC1 511903184 ZUCMIABCQGTTAJ-INIZCTEOSA-N 407.858 0.521 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 512544793 JTGQPEDOHHLTIR-IBGZPJMESA-N 411.506 0.388 30 20 HCED N#Cc1ccc(NC(=O)C(=O)Nc2cnn(C[C@@H](O)CN3CCCC3)c2)cc1F 519791470 IYLDRIPPJZRJSW-INIZCTEOSA-N 400.414 0.928 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCS(=O)(=O)NCC3CCC3)cc2)c1N 521888208 IOVQAOYULBXRIF-UHFFFAOYSA-N 402.480 0.775 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(C)o2)c1=O 522284396 DMQMSFSGGZDIBN-UHFFFAOYSA-N 419.503 0.504 30 20 HCED Cc1ccc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1S(=O)(=O)NCC#N 537129430 UOOJGPQUODPGHO-CABCVRRESA-N 408.480 0.163 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1C 539161939 SLFZSYLXCNQPDO-KRWDZBQOSA-N 409.446 0.987 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)n(C)n1 540266861 GIRWOKSTTKNGIS-CYBMUJFWSA-N 412.454 0.412 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)no2)C1=O 545641313 WEYCWXDMGPAJDZ-UHFFFAOYSA-N 419.419 0.464 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)CCc2ccc(OC)cc2)CC1 551129712 PBDXXCSBCBUUME-KRWDZBQOSA-N 416.522 0.579 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2cccc(OCC(C)C)c2)CC1 552167488 ZYNAEQNWOXHLPF-UHFFFAOYSA-N 416.522 0.784 30 20 HCED N#C[C@H]1CN(C(=O)C(=O)NCc2cccc(C(N)=O)c2)CCN1Cc1ccccc1 556141365 CUBSPYIXLFJATQ-IBGZPJMESA-N 405.458 0.638 30 20 HCED COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(=O)NCC#N)c2)cc1 557782594 BPTWDXSUXBYWBO-UHFFFAOYSA-N 416.459 0.890 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 557945354 YXMKJOXABBVZMS-UHFFFAOYSA-N 419.489 0.782 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 558113558 WKWYXDWVHASBKF-GOSISDBHSA-N 409.490 0.330 30 20 HCED CC(=O)NC[C@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)CCO1 561512399 NJFCYVAMQBDFMH-NSHDSACASA-N 402.270 0.846 30 20 HCED C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 563227841 GRZHGPDBSHLDMZ-UHFFFAOYSA-N 418.542 0.950 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 567540050 BLYWKMGCBFTPDN-FHLIZLRMSA-N 414.462 0.480 30 20 HCED C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 567954060 NBJZUWCXPMCLRP-IPELMVKDSA-N 412.490 0.927 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCCn2cccn2)CC1 568375828 KEYLKOQRDHATAF-UHFFFAOYSA-N 409.406 0.468 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 589410506 OSYSGRORQWMNPQ-SJORKVTESA-N 409.450 0.135 30 20 HCED C=C(C)CN1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 592351927 KRMGYQYGZWFSAE-UHFFFAOYSA-N 405.499 0.030 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 611265651 CANDJGAXNBNWTH-DAWZGUTISA-N 413.478 0.887 30 20 HCED CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 676748823 SDXZZXFSLUJAOI-SFHVURJKSA-N 412.471 0.570 30 20 HCED C[C@@]1(c2ccc(CNC(=O)C(=O)Nc3cccc(OCC#N)c3)cc2)NC(=O)NC1=O 726314912 HBMQYBXLLNTXRX-NRFANRHFSA-N 421.413 0.898 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 728534885 WTCPOBCMESTGOL-KRWDZBQOSA-N 416.909 0.582 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(C(=O)NC4CC4)CCC3)CC2)o1 729737592 YQOIQPLAMUQDIY-UHFFFAOYSA-N 415.450 0.495 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 733148890 MRZQOAQSJUEXCB-FQEVSTJZSA-N 422.529 0.812 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CCn2cnc3sccc3c2=O)CC1 733149530 IVFSQVSFXJDPIC-UHFFFAOYSA-N 401.492 0.132 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 741007665 LWFPGDAFKFYVQB-INIZCTEOSA-N 409.508 0.535 30 20 HCED O=C(CCN/C(O)=C1/N=CC=CC1=O)OCCN1C(=O)c2ccccc2S1(=O)=O 741339228 CXSDMIZYXFKJPO-MSUUIHNZSA-N 419.415 0.291 30 20 HCED Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746414879 NHTUIPLPTROIRU-INIZCTEOSA-N 424.461 0.792 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)cc1 746616751 IHMJSNGNSJFCEO-HNNXBMFYSA-N 407.492 0.308 30 20 HCED N#Cc1cnn(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1N 746891060 SZWUZTRYKCCZPO-NSHDSACASA-N 404.408 0.986 30 20 HCED C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 747117657 GRBLQCCAMSGJBE-CHWSQXEVSA-N 401.485 0.455 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)CC1 747993452 JNCCLDSYWNQVGP-UHFFFAOYSA-N 421.457 0.269 30 20 HCED C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2c(=O)n(CC)c(=O)c3ccccc32)c1 749504106 GYXIDPQZPZQAIR-UHFFFAOYSA-N 418.453 0.944 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 756316169 YSMBFLUSLLMTJC-UHFFFAOYSA-N 422.503 0.719 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 758061164 WRGKDKRTWOTTKY-UHFFFAOYSA-N 409.515 0.882 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(c2cccnn2)CC1 758181680 OEBPKXMRZPCTGJ-UHFFFAOYSA-N 400.464 0.300 30 20 HCED C[C@H](CC(=O)N1CC[C@H](NC(=O)NC2CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 761023976 JCWISWPGKJHKPP-OCCSQVGLSA-N 419.507 0.566 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C1CCN(C)CC1 767885425 SGKLUVXSHYUSAL-UHFFFAOYSA-N 417.560 0.661 30 20 HCED COC(=O)Cn1cc(C(C)=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)nn1 772842125 YEQFXWOKFSECCG-UHFFFAOYSA-N 421.483 0.903 30 20 HCED C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@H]1CCCO1 775329659 REPASTQYESACPG-HYVNUMGLSA-N 418.471 0.921 30 20 HCED C#CCNC(=O)C1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 779511264 SKTOBFUUUHZWQP-CRAIPNDOSA-N 421.519 0.011 30 20 HCED N#Cc1ccc(C2(C(=O)OCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 781397153 CDMMDJSJVCMKCE-AWEZNQCLSA-N 405.432 0.146 30 20 HCED C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(C)(C)O 781862449 QXAMGEWGXPFVNI-CQSZACIVSA-N 408.524 0.419 30 20 HCED C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(OCC(=O)OC)cc2)c1=O 782250727 XUBMULPLCFOKOC-UHFFFAOYSA-N 424.478 0.823 30 20 HCED Cc1nc(Cn2nnc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)c2C)no1 784083519 MTIWEEYBDVJUSE-ZDUSSCGKSA-N 416.442 0.911 30 20 HCED C#CCn1ccc(CN(CC)C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n1 788827416 VDRCQNJTMABHOV-UHFFFAOYSA-N 405.458 0.937 30 20 HCED C#CCSCCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790855169 YTFCMSSVQJRXCQ-UHFFFAOYSA-N 418.562 0.661 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N(C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1 807098384 XREMKAITDGMUCD-CQSZACIVSA-N 409.574 0.679 30 20 HCED CN1CC[C@@H](C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1=O 809124418 AJHHHKRIKDGQDV-QMMMGPOBSA-N 404.217 0.743 30 20 HCED CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O 810393941 KZLRWCIAPWMKOB-ZDUSSCGKSA-N 418.397 0.458 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(F)cc1 813039614 RBVFGXFMXPZTPC-QGZVFWFLSA-N 413.409 0.310 30 20 HCED COc1cc(/C=C/C(=O)c2c(O)n(C)c(=O)n(C)c2=O)ccc1OCCC(=O)O 821012866 PFQVFUDKDVBXHV-GQCTYLIASA-N 404.375 0.548 30 20 HCED CC(=NNc1nnc(C)c(O)n1)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 916282589 IVBCEGLNPNVYFN-UHFFFAOYSA-N 408.440 0.865 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)cc2c1OCO2 920397936 ABLVWBQBFMVBCK-UHFFFAOYSA-N 424.482 0.940 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2NS(C)(=O)=O)c1 1115875178 FDTXPGXBUGSEPR-UHFFFAOYSA-N 421.500 0.900 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCCN3C(=O)NC(C)(C)C3=O)CC2)c1C#N 1122096328 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424.509 0.157 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1n[nH]c(C)n1 1762302621 LTQDAGRFFJAARG-CQSZACIVSA-N 401.475 0.595 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc4cccnc4[nH]3)C2)C1 1778584907 ZNWDZWJGNQMQQS-QJKPHDSHSA-N 423.473 0.865 30 20 HCED C[C@@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1778943294 KUFIROBTHXXWME-LHSJRXKWSA-N 409.446 0.633 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)CCn1cncn1)CCO2 1779104560 BKLXTGRPBBXJRU-IYVWXJGLSA-N 420.470 0.027 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)c3cc(C)on3)C2)C1 1779120420 IQMWSIKOXQWZCS-FOIQADDNSA-N 420.466 0.134 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3c(O)cc(O)cc3O)C2)C1 1781811596 KTURAPCIFTTZKZ-ZUOKHONESA-N 406.435 0.838 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)COCCO)CCO3)C2)c(Cl)c1 1781974052 CSGYQFZIOBTYBE-IBGZPJMESA-N 407.854 0.664 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(Cl)nc3n[nH]cc13)CCO2 1783562977 UQBWJYHQPPMFJV-SFHVURJKSA-N 417.809 0.143 30 20 HCED C[C@H](S)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)NC(=O)c1ccccn1)CCO2 1783893740 FMWOWZCXIJITNY-CKFHNAJUSA-N 406.508 0.348 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)OC)C2)C1 1783997329 SPISQUPPTRCVJB-XFQAVAEZSA-N 423.510 0.768 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)CCc3cnccn3)C2)C1 1784558490 JCIWPZMUXITJEU-SGSZHJQISA-N 414.510 0.711 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(CCN(C(=O)/C=C/c3cnccn3)C2)C1 1784622103 RAPSWMPNRDMBIF-RHXCMKCPSA-N 412.494 0.791 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)CCO2 1785421181 MNLYQHIQCFLSPK-YWZLYKJASA-N 409.483 0.115 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21)c1cnc[nH]1 1785998042 CTLBBBFRLHNSAQ-QZUSHNPLSA-N 405.455 0.532 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(C)cn3)[C@H]2C1 1786151995 DQIDELDLNFMZGY-SAWCTPMISA-N 412.490 0.842 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC3CCOCC3)[C@H]2C1 1786735119 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CC(C)=NO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1[N+](=O)[O-] 1798009633 BDPCQZXKEJUPRX-FMSGJZPZSA-N 408.415 0.322 30 20 HCED O=C(O)c1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=N/N2CCCCC2)ncn1 1798430940 SHUCZPXMQTUZLM-NHDOHCAUSA-N 414.466 0.898 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 1798695753 INWUEANGOFQBEO-KYHPRHEASA-N 401.467 0.394 30 20 HCED Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C/N=C/c1ccco1)C2 1799416072 DXMNYBYLBMHLPR-QKNZCCDQSA-N 413.478 0.871 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(C#N)c[nH]1 1799418754 SGZADOCMHVPRTI-REBRKWNGSA-N 407.496 0.466 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccncc1O)C2 1801991932 KPPMYCKSRHQPAD-VPTLXERWSA-N 422.441 0.941 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN(C)C)C2 1802124909 KMIZSWOIWJFTTI-DFGXFYAUSA-N 422.526 0.054 30 20 HCED C=CCSCC(=O)NC[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1c1cccnc1 1804173379 PJWJRRGCZCZQTA-MAUKXSAKSA-N 401.496 0.693 30 20 HCED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)[nH]n2)C1 1814392862 WUEPVEMRMDPKCX-CQSZACIVSA-N 400.439 0.920 30 20 HCED C#CCO[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)NC(=O)OCC)[nH]n1 1815198536 UAXYTANGMNNZSG-HACGYAERSA-N 421.454 0.505 30 20 HCED O=C(Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)c1cc(=O)n2[nH]cnc2n1 1817464828 QJZHTPWHHFFZAT-OAHLLOKOSA-N 420.433 0.860 30 20 HCED N#Cc1c[nH]c(C(=O)Nc2cc([C@@H]3CCCCN3C(=O)CN3C(=O)CNC3=O)[nH]n2)c1 1820305279 UYHQATKYYRLGDR-AWEZNQCLSA-N 424.421 0.467 30 20 HCED CC(C)=NO[C@H](C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)[C@@H]2C[C@H](O)CN2)[nH]n1 1820972427 OUXOBRCYEWWXBR-BFJAYTPKSA-N 406.487 0.926 30 20 HCED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)c3cc(=O)nc4cccnn34)sc2C1 1821265316 VVNABIXPNBAOKX-SNVBAGLBSA-N 409.431 0.685 30 20 HCED C[C@@H](C(=O)N1CCCC[C@@H]1c1cc(NC(=O)C#CC(=O)O)n[nH]1)n1ccccc1=O 1822200953 RBQMISMXCXTLEJ-DZGCQCFKSA-N 411.418 0.913 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CN2C(=O)C=CC2=O)n[nH]1 1822527134 MTRJEQQHOKJYJB-UKRRQHHQSA-N 413.434 0.365 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H](O)CN2)CC1 1823747669 AGAJZLNNYYSOEV-OXPKLIQGSA-N 418.538 0.187 30 20 HCED Cn1nc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)c2c1CCC2 1825667210 ISDRFABDOCDPPA-JTQLQIEISA-N 413.459 0.679 30 20 HCED Cc1cn(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CC#N)CC2)c(=O)nc1O 1826323693 BJYIPAISIPUCOJ-INIZCTEOSA-N 401.467 0.791 30 20 HCED Cn1nc(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c2c1CCC2 1831213513 OXSVYIWZFMCOOE-JOCHJYFZSA-N 412.490 0.392 30 20 HCED CC[C@H](C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1831512230 DHKWMQKJIYWFJW-GZRFBZBPSA-N 404.467 0.363 30 20 HCED C=CCSCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccco3)C2)C1 1832448124 PZLVCAJDIIMWJH-IEBWSBKVSA-N 410.492 0.689 30 20 HCED CC(C)[C@H](S)C(=O)NC1CCN(C2CCN(C(=O)c3cnnn3C)CC2)CC1 1833489899 WGGPLSQXNJYFLS-KRWDZBQOSA-N 408.572 0.955 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cccc(C#N)c4)C3)C2)n(C)n1 1834165408 LTUXMHZXLWCFCL-JOCHJYFZSA-N 423.473 0.984 30 20 HCED C[C@@H](C(=O)N1CCC(N2CCC(NC(=O)CC#N)CC2)CC1)N1CCN(C)CC1 1834402313 IPPRTNQBJGAFEA-KRWDZBQOSA-N 404.559 0.108 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834410940 FWIUCYYOIDQAJG-UZLBHIALSA-N 404.467 0.011 30 20 HCED CN(C)C(=O)C(=O)NC1CCN(C2CCN(C(=O)C/N=C/c3ccco3)CC2)CC1 1834633559 BTJQYGGKGKJEEU-HYARGMPZSA-N 417.510 0.358 30 20 HCED COCCOCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](S)C(C)C)C2)C1 1835240297 YHGTVOKGVXSFER-WMZOPIPTSA-N 404.529 0.060 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccno3)C2)C1 1835673072 VJUUALWONYLXHL-LJQANCHMSA-N 405.455 0.026 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CC[C@H](N)C(N)=O)CCO2)C1 1835743817 PIHVOTWEQBRVRA-KKSFZXQISA-N 424.542 0.028 30 20 HCED C[C@@H](Cn1cncn1)C(=O)NC1CCN(C2CCN(C(=O)CCC#N)CC2)CC1 1835809004 YKOGJGZTYGDXEA-INIZCTEOSA-N 401.515 0.790 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cncn3)CCO2)C1 1836136444 XDDUVGKOJXCSOA-PXNSSMCTSA-N 403.483 0.503 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)[C@@H]4CNC(=O)O4)CC3)CC2)CCC1 1836903552 FIPLIVOBNPZNSZ-INIZCTEOSA-N 404.467 0.787 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ncn(C)n3)C2)C1 1837301076 JPQIZTCNSJQKCQ-OXQOHEQNSA-N 403.483 0.654 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1837395002 NJRBGZJFVXBHLV-UTKZUKDTSA-N 420.510 0.372 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1837404923 DDHIKDBSJNYRIQ-KKSFZXQISA-N 405.495 0.710 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCCO3)C2)C1 1837440677 TVQAGAYHZGBICI-WJOMKEERSA-N 422.526 0.484 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)CC1 1837589533 FYQYKEZEWDZLCG-UHFFFAOYSA-N 402.403 0.340 30 20 HCED C[C@@H](Nc1ccccn1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC#N)C2)C1 1837741193 JMTIZIFIWNJNTL-OXQOHEQNSA-N 401.467 0.642 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838529886 NCRIPFKTPVCWFH-FQEVSTJZSA-N 421.519 0.375 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3c(C)n[nH]c3C)CCO2)C1 1839238350 HDZUWCZHDZIKIO-LAUBAEHRSA-N 418.494 0.064 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)COc3cccnn3)C2)C1 1839845451 PHKIFLABOIBIOX-UZLBHIALSA-N 404.467 0.524 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)CSCC(=O)O)C2)C1 1839890666 LRUZGFVFSQSIMH-INIZCTEOSA-N 422.450 0.472 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)O)CCO3)c1 1840025674 MMPXTBBZSZXNEW-JLTOFOAXSA-N 403.435 0.018 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CN1CCCCC1=O)CCO2 1840107266 IVSSUNOOMRVDHN-QFIPXVFZSA-N 419.522 0.649 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)S)CCO2 1840162594 ASKURDZNACOGEW-KBXCAEBGSA-N 400.497 0.271 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccccc1Cl)CCO2 1840316719 LRPIOCRWHFWJIE-IEBWSBKVSA-N 407.854 0.743 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)CC1(O)CCC1)CCO2 1840594430 UJVQLTJPEJLCCQ-XZEIMLRBSA-N 419.478 0.460 30 20 HCED CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841542309 FUKFNRPPMNPGIO-INIZCTEOSA-N 405.495 0.879 30 20 HCED CS(=O)(=O)Cc1ccc(C(=O)N2CCCC23CN(C(=O)C#CC2CC2)C3)cn1 1843215437 SCGNHTNQLXJEBO-UHFFFAOYSA-N 401.488 0.857 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)COCCO)C2)c(C(F)(F)F)n1 1845211617 RCFXIGUMULQRSB-UHFFFAOYSA-N 412.368 0.798 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1 1847054759 NNKGZRWZCWDSDR-LBPRGKRZSA-N 412.537 0.851 30 20 HCED COC(=O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)/C=N/O[C@H]1CCCCO1 1847815200 OBCXZPOMGHLAIH-RQOVZUKZSA-N 413.496 0.623 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)COCCO 1847941325 SMMUQNJLIGACDY-JYJNAYRXSA-N 411.499 0.667 30 20 HCED CS(=O)(=O)NCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 32966183 HCMPLOZPKJYSPR-UHFFFAOYSA-N 407.452 0.688 30 20 HCED COc1ccc(Cn2ccc(=NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)[nH]2)cc1 425928851 WEZCSLHPARNEPD-UHFFFAOYSA-N 422.449 0.226 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Cn2cncn2)CC1 427975889 UYRHNMLAMWZTKQ-AWEZNQCLSA-N 402.480 0.755 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2OC)c(=O)n1C 429801375 LYGBRSIZFRPNAR-UHFFFAOYSA-N 421.482 0.446 30 20 HCED CS(=O)(=O)N1CC(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 433345239 XFPSEWQMTLDZJA-UHFFFAOYSA-N 408.299 0.490 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)nc1 435498843 AEHKYMJFWQDMOE-QGZVFWFLSA-N 418.457 0.844 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1 444577824 WWSTXNXUUOZPOW-HNNXBMFYSA-N 409.425 1.531 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(C(N)=O)n(-c2ccccc2)n1 465271877 FTIFASCTNSDKFY-AWEZNQCLSA-N 416.445 0.984 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 470750537 DYDAOUMNKZZQAO-SJORKVTESA-N 402.476 0.392 30 20 HCED CCN(C(=O)CN1CCN([C@@H](C#N)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 471149315 TYSMWMFEEQHGHV-OALUTQOASA-N 404.536 0.904 30 20 HCED CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)CC1 471319329 ZZJDDKPTUJTVQB-UHFFFAOYSA-N 421.479 0.641 30 20 HCED Cc1nn(C)c(N2CCN([C@H](C)C(=O)N3CCN(c4ccccn4)CC3)CC2)c1C#N 472162455 YKQGEWRWKVLJQK-GOSISDBHSA-N 422.537 0.855 30 20 HCED Cn1ncc(C(=O)NC[C@H](Cc2ccccc2)NC(=O)c2cnn(C)c2C#N)c1C#N 475167862 DIEYWLPEBQKLFZ-HNNXBMFYSA-N 416.445 0.668 30 20 HCED N#C[C@H]1CN(C(=O)NC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CCO1 477509558 KTUSAELHXVKMAE-YJBOKZPZSA-N 400.435 0.751 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 489540992 XXYQOWYSCKXPLG-ZDUSSCGKSA-N 417.495 0.288 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sn1 497721121 RENIJNAUWNLIJA-UHFFFAOYSA-N 419.488 0.795 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 499807641 GPJUHZNYYBPZHS-SJORKVTESA-N 400.435 0.805 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 500123720 LYKKUYAVQBJLLQ-OAHLLOKOSA-N 411.553 0.663 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(=O)NCCF 506442254 ABSZXTNGRWBAPC-JTQLQIEISA-N 406.805 0.926 30 20 HCED C=CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508712998 IXYDWOVXWFEUNB-JKSUJKDBSA-N 411.528 0.946 30 20 HCED CCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccco2)c1=O 514645727 ONFSHXKRYDQQKD-UHFFFAOYSA-N 400.504 0.580 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(N)=O 517557532 LVHDJFYUOKJRFZ-LLVKDONJSA-N 401.463 0.961 30 20 HCED N#CCCCS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1 522571422 VYHHEJAODIQQEC-UHFFFAOYSA-N 401.448 0.714 30 20 HCED COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 541144082 PZFFGTAHUPBBCH-CYBMUJFWSA-N 415.381 0.612 30 20 HCED C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2S(=O)(=O)NCC)C1=O 543682159 GDZILHZROMSLJH-ZDUSSCGKSA-N 401.510 0.392 30 20 HCED CN1CCN(C(=O)c2cc(NC(=O)NCCCc3[nH]nc(N)c3C#N)ccn2)CC1 544590649 MVILRJWRMQXWIU-UHFFFAOYSA-N 411.470 0.400 30 20 HCED N#CCCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 553610679 VXEWMADKFIHTMN-INIZCTEOSA-N 415.498 0.208 30 20 HCED CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H](C)S1(=O)=O 553804791 NXSXKNGDIPROQV-KCQAQPDRSA-N 413.521 0.649 30 20 HCED CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 553964325 PFZYPCVGWPPQFC-SJORKVTESA-N 420.491 0.027 30 20 HCED C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 555246508 KNQKATLLADHHEF-INIZCTEOSA-N 415.542 0.879 30 20 HCED CCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2CCCOC)c1=O 555426163 KHMUJWDUJHLRHM-AWEZNQCLSA-N 416.503 0.271 30 20 HCED COc1ccc(OC)c(CNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 555919626 DGYVRADITKMPCY-UHFFFAOYSA-N 409.446 0.935 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)ccc1-n1cnnn1 556389386 DXLZTVUHMKGIRZ-UHFFFAOYSA-N 417.433 0.525 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CCCCCC2)c1 557130415 SDXXMNIWEQWMFK-UHFFFAOYSA-N 422.551 0.873 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)C2)nn1 583666883 XKYLWYTVZDNQRV-HNNXBMFYSA-N 408.418 0.689 30 20 HCED CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 589398006 ONVOQQFYHCDIGS-AWEZNQCLSA-N 409.450 0.842 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nnnn2-c2ccccc2)cc1 609327641 SNVCMOFLQCASJE-UHFFFAOYSA-N 411.447 0.784 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)n1 610326060 UIEPHNOYZATJDH-UHFFFAOYSA-N 421.439 0.027 30 20 HCED CCCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 610531454 NUWWALKKVMSTFD-UHFFFAOYSA-N 407.496 0.881 30 20 HCED N#CC(C#N)=c1sc(=Cc2cccc3c2OCO3)c(=O)n1-c1ccc(C(N)=O)cc1 726577319 NQYXRZJPIHBAQJ-UHFFFAOYSA-N 416.418 0.753 30 20 HCED N#CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 730504510 SKEVHVYTWMRVNN-MTCRFPMVSA-N 409.490 0.894 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCN(C)S(=O)(=O)N(C)C 731142846 UIPQVUGNUXUYIN-UHFFFAOYSA-N 408.484 0.432 30 20 HCED C[S@@](=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 741294593 HXDIOYWFUGIALT-AREMUKBSSA-N 411.549 0.900 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cn1 746365931 TXFOMOCCUZBATE-UHFFFAOYSA-N 414.853 0.912 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)c2cc(C#N)c[nH]2)CC1 748228917 ZUDVMDZYVPUKJD-UHFFFAOYSA-N 421.435 0.181 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2O)c1 749665104 ODPWIXIIDPHMHN-ZEBKQRNQSA-N 422.507 0.858 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 749850380 LJZUITGKKSQZFM-JSGCOSHPSA-N 403.464 0.525 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 751140379 PRWFQPMWTGECMS-UHFFFAOYSA-N 409.471 0.946 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@H](N3CC(=O)Nc4ccccc43)C2)n1 759412199 GSXLYWXNHXJGEV-AWEZNQCLSA-N 407.434 0.795 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 761038637 XKAZDCTXNMJHQM-UHFFFAOYSA-N 415.859 0.272 30 20 HCED N#Cc1cnn(CCOC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1N 761154720 KRQZLJQFQMKDEZ-HNNXBMFYSA-N 419.463 0.651 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCC(=O)NCc2ccccc2)cn1 763372196 AQGZJPGDOIAEKG-UHFFFAOYSA-N 403.402 0.510 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC(C)C)sc(=Cc2ccn(C)c2)c1=O 763466002 NTENZWFFGJFVDM-UHFFFAOYSA-N 412.515 0.316 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@H]2CCCO2)CC1 765526815 OIDRHUWOJMZDHY-CRAIPNDOSA-N 420.535 0.985 30 20 HCED C[C@H]1CC(=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CN(Cc2ccccc2)C1 767388669 UXBCIMWFFWIEBJ-AWEZNQCLSA-N 419.507 0.260 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 773093588 JRDLPRSZXKWBCX-CQSZACIVSA-N 417.409 0.881 30 20 HCED C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCCO1 773560445 RLQGGIKYZGMVJT-ZWKOTPCHSA-N 407.492 0.892 30 20 HCED CN1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 779523782 TWKYZHNEBVPKIM-FXBPSFAMSA-N 421.523 0.602 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 783351521 YNOWNHPQTVDOTA-UHFFFAOYSA-N 423.900 0.367 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccnc2N2CCOCC2)c1 783464340 CTBNNBCXCLXUJX-UHFFFAOYSA-N 407.430 0.593 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCn2c(nnc2-c2ccccc2)C1 787773508 ABRQVDCXVKSVAH-UHFFFAOYSA-N 416.445 0.782 30 20 HCED CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787776749 WOHKGIUPMBBIFW-UHFFFAOYSA-N 401.471 0.134 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CCCOC(=O)NC(N)=O 795493097 CWVIKLVRHMLIBG-UHFFFAOYSA-N 408.440 0.885 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(NC(=O)OC)c2C)CC1 798038635 IZUUYCKQSXRTEJ-UHFFFAOYSA-N 417.466 0.558 30 20 HCED CCOC(=O)CON=C(C(=O)NC1CCN(c2nccs2)CC1)c1cc[nH]n1 799058407 QBTCLURIJXZOGX-UHFFFAOYSA-N 406.468 0.935 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)cn1 807332990 GCQIOEJURINSCU-HXUWFJFHSA-N 421.505 0.764 30 20 HCED N#CC1(OCCOC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 809085399 YLJGFMBKTSCJJM-UHFFFAOYSA-N 424.475 0.954 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCOC1(C#N)CCOCC1 809086726 XDACFNSINFAGNS-AWEZNQCLSA-N 407.448 0.858 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)[C@@H]1CCCO1 809307245 BLNWPKGXLQNVGQ-ROUUACIJSA-N 401.438 0.797 30 20 HCED CC(C)(C)OC(=O)N1CC(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810798326 WLSKJIHQSPIBPP-UHFFFAOYSA-N 408.480 0.820 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 819077200 VQCAGVHKLIORJF-QGZVFWFLSA-N 403.504 0.975 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C(=O)NCC(C)C)CC3)CC2)o1 915216514 OAXJUBYFXDVCLQ-UHFFFAOYSA-N 416.526 0.988 30 20 HCED N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 917509927 UZCQPWSHWQYYCV-GFCCVEGCSA-N 404.404 0.657 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCC3(CC2)OCCO3)c1 919020844 PSSJRUGQRSRGJH-UHFFFAOYSA-N 422.459 0.120 30 20 HCED C=CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1049135333 SDRQOHVXGRFKHU-LYPURALISA-N 404.507 0.813 30 20 HCED C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1303645743 PWMCODQEZZOUII-DZGCQCFKSA-N 416.507 0.952 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)CCCC(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1330806863 KPEQVWSTZCYTED-OALUTQOASA-N 402.543 0.860 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359075869 JDXWDKXHVBBKDJ-LLVKDONJSA-N 412.292 0.539 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1359476861 MMQQRHIKBFOVOQ-NSHDSACASA-N 401.393 0.675 30 20 HCED N#Cc1ccsc1N1CC[C@@H](N2CCC(N3CCS(=O)(=O)CC3)CC2)C1=O 1473343919 WMUSJEZLQUIQPZ-MRXNPFEDSA-N 408.549 0.920 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)C1 1521064067 XUQMNWNGRQULEX-YOEHRIQHSA-N 407.475 0.909 30 20 HCED C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1545123681 SZDRTUPHIUCZGI-INIZCTEOSA-N 409.494 0.816 30 20 HCED COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1=O 1570029191 SDAWZYVTELPVIB-AWEZNQCLSA-N 413.400 0.881 30 20 HCED CC(=O)N1CCN(Cc2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)CC1 1597777299 UVVDOZUFNGSWSO-UHFFFAOYSA-N 410.434 0.123 30 20 HCED COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 1656041285 KKWNKUBHXPZJIJ-GWCFXTLKSA-N 402.375 0.952 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C[C@@H](C)O1 1660664707 XRMGXHUBWKMGLL-HUUCEWRRSA-N 422.573 0.228 30 20 HCED C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1708039776 SKDOVSHRPFNJLS-FSZRXZPDSA-N 409.512 0.460 30 20 HCED COCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1712425742 KJEUJYFIEGOEFP-RHSMWYFYSA-N 414.507 0.200 30 20 HCED COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCOC2)cc1 1768745422 WIBXYQXVZWBDOV-PXNSSMCTSA-N 415.450 0.746 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)cc2)CCO1 1770748044 VYFVRYVHZIXGEM-INIZCTEOSA-N 409.450 0.390 30 20 HCED CC(C)CNC(=O)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1778117930 FOHQGEQSQFCUHN-IIBYNOLFSA-N 404.511 0.966 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1779103091 NHWXKACOTDFJGO-RTAJLIBNSA-N 421.450 0.744 30 20 HCED N#Cc1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C3=NNC(=O)C3)C2)cc1 1779306177 OIXMWESYCWBQMR-XMSQKQJNSA-N 423.473 0.491 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(CN(C(=O)CCC#N)CCO2)C1 1781864409 NICHHCTWYUEZBK-MJLBXUHQSA-N 400.435 0.890 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCC(N)=O)CCO3)C2)c(Cl)c1 1781973249 UBYKKBXKKROUDN-IBGZPJMESA-N 404.854 0.921 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@@H]2C[C@H](O)CN2)CCO3)c(Cl)c1 1781975121 XMBBHSIQHUGLAI-VHFSOBRXSA-N 418.881 0.378 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cn3c(Cl)cccc3n1)CCO2 1783561598 ATROFHDCWCNEHT-LJQANCHMSA-N 416.821 0.519 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(C)nc3O)C[C@@H]21 1784486142 ZTYCVOZIZWLVJB-LAQRGFTBSA-N 401.463 0.727 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(O)nn3)[C@H]2C1 1785844928 GEWCQQIBQAVULN-YXWQFLTLSA-N 405.455 0.576 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3ccc(S(C)(=O)=O)cc3)[C@H]2C1 1786702102 MPYAOAUDQPDVIU-SZMVWBNQSA-N 404.488 0.246 30 20 HCED C[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc4c3NC(=O)C4=O)[C@H]2C1 1788436708 KGLRPSRTGPYYEQ-PKIAMQTDSA-N 417.487 0.733 30 20 HCED O=C(C/N=C/c1ccco1)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@@H]21 1788682202 DTKLCBUHQOPPEQ-PHJBCUSKSA-N 401.463 0.571 30 20 HCED CS(=O)(=O)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CC#N)cc3)[C@H]2C1 1790141299 CZYYGDRJFVLJGE-BZSNNMDCSA-N 419.503 0.391 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H](CCC)NC(C)=O)[C@H]2C1 1792182928 IBWXHNNXINNLCX-GBBGEASQSA-N 407.511 0.309 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccccc1C(N)=O)C2 1792567557 TVYGDGGYPDQMSB-KFHOSZCASA-N 410.474 0.896 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C)c([N+](=O)[O-])cn1)C2 1793343236 PRGHGJIZNIAWSM-AFIMGQEJSA-N 416.434 0.540 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc3n(n1)CCCO3)C2 1793358123 RLACZDVSMSJMKX-AFIMGQEJSA-N 404.467 0.460 30 20 HCED COc1cnc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)ON=C(C)C)C3)cn1 1794950030 AVCTUBQYTQGORY-VWPFQQQWSA-N 405.455 0.489 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(F)nc1)C2 1797814991 GLTBQBCHKGVFJH-XOMSMDBKSA-N 420.441 0.953 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C\C(=O)NC1CC1 1798297447 PVMZZWRFPJKCNU-KHVGYNOKSA-N 403.479 0.969 30 20 HCED COc1ccc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)Cc2ccc(C#N)cc2)C3)nn1 1798369637 NAZQBUFTVVTVAA-UPHUGPLXSA-N 421.457 0.803 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NC(C)=O)C2 1799301564 AYHDWUNEWMLTDH-SCAQPMJSSA-N 409.483 0.000 30 20 HCED Cn1nccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)Cc1ccc(F)c(C#N)c1 1799324346 DNBACQPBLSWOCR-CWPLJXCYSA-N 411.437 0.877 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1800767568 DZTMAGRQGCKSEJ-XLMAVXFVSA-N 405.495 0.856 30 20 HCED COC(=O)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)S)s1 1800988776 SDLFJHZDOFXSHU-OVZMXSCWSA-N 412.533 0.985 30 20 HCED CSCC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)ON=C(C)C)C2 1801029151 SAJFPDMSPATPHJ-IBEHDNSVSA-N 401.529 0.491 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)/C=N/N1CCCCC1)C2 1802326468 DXSUJJJYIAKWRT-RCIZOPMDSA-N 408.499 0.712 30 20 HCED N#CC1(C(=O)NC[C@H]2CCN(C(=O)CNCP(=O)(O)O)[C@@H]2c2cccnc2)CC1 1806847023 JNJUYPDSUGKNBX-GDBMZVCRSA-N 421.394 0.116 30 20 HCED N#CC1(C(=O)NC[C@@H]2CCN(C(=O)CN3C(=O)C=CC3=O)[C@@H]2c2cccnc2)CC1 1806854500 DLYHBPQKLXOSDA-HNAYVOBHSA-N 407.430 0.316 30 20 HCED Cc1nn(C)c(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)c1F 1812874988 PWNJFDWLBGJJQS-RDTXWAMCSA-N 413.409 0.670 30 20 HCED C#CCCCC(=O)N1CC[C@@H](CNC(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813179190 SCAIAZGEADJQHH-JTSKRJEESA-N 408.458 0.816 30 20 HCED C#CCCC(=O)NC[C@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1814101020 BVODZOLKEBOKHF-VGOFRKELSA-N 408.458 0.816 30 20 HCED N#Cc1c[nH]c(C(=O)N[C@@H]2CCc3nc(NC(=O)[C@@H](N)CCC(N)=O)sc3C2)c1 1814808130 QPXYDWDFMOIQOA-MNOVXSKESA-N 415.479 0.161 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3cncn3)sc2C1 1815669152 ONZATGYTPOAXNO-GFCCVEGCSA-N 418.479 0.856 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@H]1CCc2nc(NC(=O)Cc3cnc[nH]3)sc2C1 1817040311 UYOHCYCAEMKPJT-FJOGCWAESA-N 414.491 0.879 30 20 HCED CC(C)(C#N)C(=O)N1CCCC[C@H]1c1cc(NC(=O)[C@H](O)N2CCOCC2)n[nH]1 1819441509 DKIJAJBXJGVFLC-YOEHRIQHSA-N 404.471 0.602 30 20 HCED CCOC(=O)N[C@H](O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)C#N)CC2 1819457852 CDHPUQKUVRJZGR-TVQRCGJNSA-N 409.468 0.669 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1cc([C@H]2CCCCN2C(=O)C2=NNC(=O)C2)[nH]n1 1820895450 CUMSRUCPOKOHPJ-CQSZACIVSA-N 416.438 0.787 30 20 HCED C=C(CC(=O)OCC)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)Cn1cnnn1)CC2 1822922343 KSGLDDJLXSEEBW-LLVKDONJSA-N 419.467 0.251 30 20 HCED CN[C@@H](CC(=O)N[C@H]1CCc2nc(NC(=O)C3(C#N)CCC3)sc2C1)C(=O)O 1828009131 IVVICHBERRVGFI-JQWIXIFHSA-N 405.480 0.812 30 20 HCED CC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C#N)cc3)CCO2)C1 1829898373 AMJOMJFIWJKPNM-RXVVDRJESA-N 401.463 0.328 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3CC)C2)C1 1831391145 IHJYPIULXBRVHF-FOIQADDNSA-N 405.451 0.345 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1831406546 WREFGJGPXNTWDF-NRFANRHFSA-N 420.462 0.693 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3csnn3)CC2)CC1 1833465009 FRXNKGTZLVBXQP-CQSZACIVSA-N 405.524 0.762 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2 1833976702 JMPYPNWZIODXNJ-HXUWFJFHSA-N 418.450 0.056 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)CS(C)(=O)=O)CC2)CC1 1834569044 KXAGOMQBMZDXBX-OAHLLOKOSA-N 415.556 0.194 30 20 HCED COCCC(=O)N1CCC(N2CCC(NC(=O)C(C)(C)NCCC#N)CC2)CC1 1834714815 UCIHCCDANAUQPK-UHFFFAOYSA-N 407.559 0.876 30 20 HCED COC(=O)[C@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)CC1 1834756152 SIBFRNKTTZDGPJ-JXXFODFXSA-N 407.467 0.336 30 20 HCED CCC(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1834814882 SRKQZBDWBZADBG-OAQYLSRUSA-N 401.463 0.976 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3nc[nH]n3)CC2)CC1 1834951851 ITWGBKSTNBAWRO-AWEZNQCLSA-N 405.503 0.791 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1835267760 DSIMVCWNWBEJJJ-JOCHJYFZSA-N 422.522 0.302 30 20 HCED CCc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)ON=C(C)C)C3)C2)n[nH]1 1836280905 LRINDHLOHXBKHJ-MGPUTAFESA-N 421.498 0.843 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)ccn1C)CCO2 1838529887 NCRIPFKTPVCWFH-HXUWFJFHSA-N 421.519 0.375 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(=O)ccn3C)CCO2)C1 1838535223 XVCYEMBCLFPPKO-IIBYNOLFSA-N 403.479 0.668 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccno3)C2)C1 1839174143 IROVFLKLIPNNCZ-LJQANCHMSA-N 407.423 0.254 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3nc[nH]c3[N+](=O)[O-])C2)C1 1839840889 JSWFMBMSANITCN-UGSOOPFHSA-N 407.427 0.600 30 20 HCED C[C@@H](Nc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1840042385 RVNUGTZUQHMVBI-IERDGZPVSA-N 415.446 0.031 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](O)c4ccco4)C3)C2)CCC1 1840811663 RZLZCXQDHOFAPG-UZLBHIALSA-N 403.435 0.463 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2ccc(C#N)cc2)C1 1841098997 NZYNVRJTONEPAT-OAHLLOKOSA-N 418.519 0.632 30 20 HCED C=CCSCC(=O)N1CC2(CCCN2C(=O)c2n[nH]c3c2CS(=O)(=O)C3)C1 1843129701 OPGUHTRYWJKBIU-UHFFFAOYSA-N 410.521 0.574 30 20 HCED COc1cc(C(=O)N2CC3(CCCN3C(=O)C#CC3(O)CCCCC3)C2)nn1C 1844283273 JOWDNEIZJIPQLG-UHFFFAOYSA-N 400.479 0.944 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196963 GWBHITLSTISJGM-AWEZNQCLSA-N 405.451 0.677 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCOC)C2 1847070535 YYEFGHHSYCVSCS-MRXNPFEDSA-N 423.510 0.769 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCn2cccn2)cc1 41453951 MJKJSRRMVFBUPS-UHFFFAOYSA-N 405.480 0.835 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)cc1 410185446 PMBCYPKFEAQZDV-QZTJIDSGSA-N 416.503 0.696 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3(CO)CC4(CCC4)C3)n2)cc1 435155661 OLCILHAWGLLXIC-UHFFFAOYSA-N 408.462 1.196 30 20 HCED Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCN(C)CC2)c1=O 440386180 FDYGIKHHMNBXHQ-UHFFFAOYSA-N 412.515 0.860 30 20 HCED CCCc1c(NC(=O)C(=O)NC[C@@H]2CN(C)CCN2C)cnn1-c1cccc(C#N)c1 443730566 HEIDMSOEVREPNZ-GOSISDBHSA-N 423.521 0.997 30 20 HCED CN(CCOCC1CC1)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 446720961 YNOHYJKFDZVCAL-UHFFFAOYSA-N 420.535 0.750 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](c2nccn2C)C1 460692082 PVSPOBGOIKSBIA-HNNXBMFYSA-N 404.434 1.136 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)NCCNS(=O)(=O)Cc2ccon2)cn1 462093335 PDUIEIWWOWVYCE-UHFFFAOYSA-N 416.423 0.368 30 20 HCED COCC[C@@H](C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 463689325 ISOFDWAIZCTLCO-CQSZACIVSA-N 401.510 0.619 30 20 HCED CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 468081515 CAXYCVLRGHSFLM-LBPRGKRZSA-N 415.841 0.866 30 20 HCED COCCc1noc(CN(C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 468105071 UMDNXNAIIQZXJH-UHFFFAOYSA-N 403.443 0.207 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 470765161 KDRMXECFBBHVIJ-FZKQIMNGSA-N 406.464 0.259 30 20 HCED COC(=O)C[C@H](C)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 471763986 ZWXLOYHXYWYRTN-HNNXBMFYSA-N 422.507 0.506 30 20 HCED Cc1cc(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)on1 479881231 OFINMPIIWAVOBX-OAHLLOKOSA-N 417.491 0.866 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O 480246204 CZEZNFJTEXFJHL-UHFFFAOYSA-N 423.416 0.827 30 20 HCED Cc1nc(O)sc1S(=O)(=O)NCCNC(=O)Nc1cc(C)n(CCC#N)n1 480913054 NZFPOLZWTRQZIF-UHFFFAOYSA-N 413.485 0.676 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@@H](CO)c2cnn(C)c2)c(C#N)cn1CCOC 481347341 NZVKYOVZBIIVIO-AWEZNQCLSA-N 404.427 0.771 30 20 HCED CC[C@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC)CC1 485116811 MNOMZTXNYJLZMM-QZTJIDSGSA-N 411.528 0.456 30 20 HCED N#Cc1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1Br 487879474 LOGQYRJBZHKKGB-UHFFFAOYSA-N 416.301 0.759 30 20 HCED N#Cc1ncc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cn1 488784036 MTCKZVPBTUGXFF-UHFFFAOYSA-N 401.448 0.401 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1F 489595262 HGEQNWLIBDEGDT-KRWDZBQOSA-N 418.450 0.579 30 20 HCED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 509675994 REPUCDWKJBQSIY-CYBMUJFWSA-N 400.464 0.960 30 20 HCED CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 517976482 PPOMTFLBBRIUHD-CQSZACIVSA-N 411.466 0.805 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccccc1Cn1cncn1 527339284 RIJIWDMQJWSOPG-UHFFFAOYSA-N 407.438 0.533 30 20 HCED C[C@H](N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N(CCC#N)c1ccccc1 533379669 YXCUZKTXMZLIIC-QXAKKESOSA-N 420.535 0.409 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1 536966399 LQDOLKXNXQAPAQ-CYBMUJFWSA-N 401.471 0.085 30 20 HCED C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 538167308 KLQVDHNAYPRRGF-MRXNPFEDSA-N 409.446 0.784 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 550646747 HRRJYZFDBVYMRR-QAPCUYQASA-N 413.478 0.007 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1Cn1cccn1 555839695 QZFWPYJDOIPJFL-UHFFFAOYSA-N 420.477 0.816 30 20 HCED CNC(=O)c1ccc(CN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 560496515 RMDJVKZOVCBGOR-UHFFFAOYSA-N 400.460 0.855 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)ccn1 564478261 MAZUXFHNIIZWCD-MRXNPFEDSA-N 415.431 0.573 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 571919614 SLZOVYKJGOTKJQ-SFHVURJKSA-N 401.511 0.384 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1CCC[C@@H]1C(N)=O 573232900 ZARSJGZPWXRFMP-CYBMUJFWSA-N 415.313 0.939 30 20 HCED CCO[C@H]1C[C@](O)(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1(C)C 577310360 PSWINIJQMFDMFE-YWZLYKJASA-N 412.450 0.760 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 582113947 FBWCMDHXCRPTDX-ZDUSSCGKSA-N 409.450 1.165 30 20 HCED CCN(C(=O)CN1CCN(c2snc(C)c2C#N)CC1)[C@H]1CCS(=O)(=O)C1 582294043 KWGJHKRPGJGCGX-AWEZNQCLSA-N 411.553 0.481 30 20 HCED Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 588125080 WEQAWXQIBJHWJM-OAHLLOKOSA-N 406.508 0.378 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(CCN3CCCC3)CC2)n1 589392835 WUHLLNDOUZYFCX-UHFFFAOYSA-N 422.493 0.317 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCCC(=O)OC 608826554 GPYNOMUGTUBIBO-ZDUSSCGKSA-N 416.503 0.715 30 20 HCED C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(CCC#N)CCN1CCOCC1 608879378 JSIKAKXQWFNMLG-OAHLLOKOSA-N 403.439 0.788 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)cc1 609199896 WFZBLMUGKBXMEZ-FQEVSTJZSA-N 412.538 0.973 30 20 HCED C[C@H](O)[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609316067 VJEDZUMOBWEHTH-WMZOPIPTSA-N 420.535 0.626 30 20 HCED N#CCCCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 609464925 FEPMSEFQLCFSQZ-UHFFFAOYSA-N 415.541 0.147 30 20 HCED 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746407176 WPYVDCABZFDACI-GOSISDBHSA-N 421.461 0.295 30 20 HCED Cc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c1 756848600 JXCVVMWFSCFPEX-UHFFFAOYSA-N 418.425 0.934 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC(F)F)cc2)CC1 761022651 BREZNCAJQNQKBE-UHFFFAOYSA-N 402.423 0.312 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 761038854 ZPEVRIGGUOKPPO-IBGZPJMESA-N 410.515 0.724 30 20 HCED CCN(CC)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1F 771896766 IMOHSMUPANCXBA-UHFFFAOYSA-N 411.459 0.382 30 20 HCED O=C(O)C[C@@H]1CSCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776623187 GCJZXDXGIAAXJU-GFCCVEGCSA-N 411.505 0.924 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2nnn(C)n2)C1=O 783009508 JNSDMZLHYZZRJJ-ZDUSSCGKSA-N 419.467 0.495 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCNC(=O)[C@@H]1c1c(C)nc2ccccn12 783224775 WLABASITNYVMSS-INIZCTEOSA-N 405.480 0.426 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 783306218 VAGHISSPYJYRHN-UHFFFAOYSA-N 409.464 0.484 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)NCCC)cc1)[C@@H]1CCS(=O)(=O)C1 783474802 JSQDQASUWMRXPZ-MRXNPFEDSA-N 405.476 0.414 30 20 HCED CC(C)C[C@@H]1C(=O)NCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 783746074 VONHQGBOKDQHOV-DZGCQCFKSA-N 406.508 0.877 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)C(=O)NCCNc2ncccc2C#N)cc1F 786656870 OFBKNTJBPYRLDG-UHFFFAOYSA-N 412.425 0.475 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCN(Cc2cscn2)CC1 787774757 KJIDLHQRDDDJBO-UHFFFAOYSA-N 413.507 0.672 30 20 HCED CCCCOc1ccc(C(C)=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 789036527 CQNBGAGNLNRBFQ-UHFFFAOYSA-N 408.480 0.965 30 20 HCED COc1nccnc1C=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 792871744 JKPFEXOJWXJVRJ-UHFFFAOYSA-N 422.423 0.860 30 20 HCED C[C@@H](C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)n1cnc(C#N)n1 798939131 ICFJVEQZJVNHLE-KBPBESRZSA-N 419.486 0.590 30 20 HCED Cc1c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 801293162 FTARRORWXYPCIT-UHFFFAOYSA-N 419.445 0.170 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccncc1 805815768 VHEUFEQSXIGPDJ-KRWDZBQOSA-N 408.462 0.658 30 20 HCED C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)C(C)(C)C 808316028 OPTDNVVZAFMFJQ-OWCLPIDISA-N 400.545 0.716 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@H]1CCCO1 809306076 MYEUSYZOLVSZSB-RTBURBONSA-N 415.465 0.726 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@]2(C)CCOC2=O)cc1 810480018 SKPYHYWUNFADKD-SXZORUHJSA-N 422.463 0.260 30 20 HCED N#CCCOCCOC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1 815169054 PAPJAUNAJCSRRW-ZDUSSCGKSA-N 421.269 0.562 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2F)c1=O 838176891 HFPFAQQXNVLFHB-ZDUSSCGKSA-N 419.478 0.349 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2CCCS2(=O)=O)cc1C(F)(F)F 916780176 MNDWDCZUVWXMJH-UHFFFAOYSA-N 411.383 0.417 30 20 HCED Cn1cnnc1[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 918101235 CFQBFFHJSSCKJY-CYBMUJFWSA-N 402.480 0.650 30 20 HCED C=CCn1c(Cc2noc([C@H]3CC(=O)N(CCOC)C3)n2)nnc1N1CCOCC1 1116610062 WUTHQGUXRFOZMD-AWEZNQCLSA-N 417.470 0.237 30 20 HCED COC(=O)c1cccn(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1=O 1156592578 YTPHPPCZXYRROQ-KRWDZBQOSA-N 408.414 0.424 30 20 HCED CCN1CCN(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1251842613 KYIXGDYLMULXEM-GOSISDBHSA-N 412.494 0.517 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@](F)(C#N)C2)C1 1316352417 UEGYCLIFSKEABN-CXAGYDPISA-N 407.475 0.997 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)c1n[nH]cc1I 1320606283 FCERXLFNMYZVOT-UHFFFAOYSA-N 403.224 0.702 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCC34OCCO4)CC2)cc1 1479160995 IYINLJMAOLBXSO-QGZVFWFLSA-N 420.491 0.870 30 20 HCED C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507855963 VXJKDCZMKZNWKE-RWMBFGLXSA-N 407.924 0.881 30 20 HCED N#C[C@H](C(=O)CCc1nnc(-c2ccsc2)o1)C(=O)N1CCS(=O)(=O)CC1 1515066701 LTKDHLWPWVUPAK-GFCCVEGCSA-N 408.461 0.697 30 20 HCED CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1519607813 ZYBSUXPGVCYIMX-HNNXBMFYSA-N 401.452 0.095 30 20 HCED CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCCn2cnc(C#N)n2)cc1 1525621057 SLJBAWXWPONQEX-HNNXBMFYSA-N 400.464 0.880 30 20 HCED CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1548317096 YXUVLWIWKFAKDJ-CQSZACIVSA-N 416.507 0.918 30 20 HCED CN(CCS(=O)(=O)N1CCN(CCC#N)CC1)S(=O)(=O)c1ccc(F)cc1 1561846506 MCKGLWKRNLJORB-UHFFFAOYSA-N 418.516 0.307 30 20 HCED COC(=O)C1(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCOCC1 1658660055 XZXPOBOYRDRQJG-OAHLLOKOSA-N 406.508 0.769 30 20 HCED CS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1698308346 VSXGEDMZBVADQL-CQSZACIVSA-N 415.541 0.355 30 20 HCED C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1722541158 KKBNXGXZEODWDM-MRXNPFEDSA-N 418.523 0.928 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC2CC2)CCO1 1770752163 SEKQGCLEYKYJRE-QGZVFWFLSA-N 416.507 0.817 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777849698 YNGKJPRWJOLQTJ-CMPZQBNXSA-N 417.462 0.659 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H]3CCc4nc[nH]c4C3)CCO2)C1 1778973389 FLDQMEALGBIRCQ-LZFQIVBZSA-N 416.522 0.918 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@H]3NC(=O)NC3=O)CCO2)C1 1779238524 ZBJLWQVEABYLMN-VBKZILBWSA-N 406.483 0.407 30 20 HCED C=CC(=O)N[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779537759 PHPMOPOXBJDJFC-WHSLLNHNSA-N 402.495 0.885 30 20 HCED COc1ccc(C(=O)N2CC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)cc1OC 1780658488 KDAYFCFXYZMSGU-FQEVSTJZSA-N 402.403 0.235 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1781029042 IVOWCBAXVFZVTH-AUSIDOKSSA-N 417.550 0.999 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H](C)n2ccnn2)C1 1781545312 DXUHAURIZFXRER-WOCWXWTJSA-N 403.483 0.391 30 20 HCED CC(=O)N[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4ccc(C#N)cc34)C2)C1 1782198270 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CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CNC(=O)CC#N)[C@H]1c1cccnc1 1806290462 QOMGLXQQUAZESD-ILZDJORESA-N 423.477 0.472 30 20 HCED O=C(COCCO)NC[C@H]1CCN(C(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1808613568 KWZOQOKCVLIHFX-JPFMVSBKSA-N 414.462 0.808 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cn4cccnc4n3)sc2C1 1819029730 CNGFEVRBTNMIOP-JTQLQIEISA-N 410.415 0.500 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2ccncc2=O)n[nH]1 1821651586 ROMPDBFQPZXPOO-ZBFHGGJFSA-N 412.450 0.697 30 20 HCED COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](NC(=O)C#CC(=O)O)CC3)nn1C 1821778691 RDRXOLYLOCALCV-VIFPVBQESA-N 403.420 0.199 30 20 HCED CC(=O)N1CCN(CC(=O)N2CCC([C@@H]3CCCCN3C(=O)CC#N)CC2)CC1 1826321043 RNFOZIKRIVYSRB-IBGZPJMESA-N 403.527 0.684 30 20 HCED C=C1CC(C(=O)N2CCO[C@]3(COCCN(C(=O)c4ccnn4CCOC)C3)C2)C1 1829668668 YRBRWCFFLBMELJ-OAQYLSRUSA-N 418.494 0.566 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1829782406 SZCIQVWFVUNDDJ-IERDGZPVSA-N 424.542 0.028 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1830625880 DTDZADSSKYKHIJ-SFRQHRMHSA-N 424.542 0.322 30 20 HCED COC(=O)[C@@H]1CC[C@@H](C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)C1 1830708764 LFZSGIYJPCJVKA-QINHECLXSA-N 407.467 0.336 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCc1ccccc1C(=O)OC)CCO2 1830891807 SDDJJNDCTHNKMW-JOCHJYFZSA-N 414.458 0.495 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccnc1)CCO2 1830973360 VXYDIFYFSAPYSF-GHTZIAJQSA-N 420.510 0.883 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)C)no3)C2)C1 1831396224 CCMDRQCIIVNVNR-IIBYNOLFSA-N 419.478 0.906 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1831414575 ZMSMTPBMWCXRGS-FXAWDEMLSA-N 421.498 0.278 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)Cn3cccn3)C2)C1 1831485453 UZOSEFBCVIODQM-FUHIMQAGSA-N 424.567 0.930 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3csnn3)CCO2)C1 1831754014 BIOPOCLNZKOOFD-CXAGYDPISA-N 411.484 0.409 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](CC=C)NC(=O)OC(C)(C)C)CCO2 1832000535 SIKAQTOYJVCEMT-HRAATJIYSA-N 421.494 0.545 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cn(C)cn3)CCO2)C1 1834448376 SZXHOKKQQMQDAF-KXBFYZLASA-N 407.471 0.291 30 20 HCED Cc1nn[nH]c1C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1836305072 ZUKWZDBHAJOWLE-NRFANRHFSA-N 424.461 0.563 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)[C@H]3C[C@H]3F)C2)C1 1837492371 GYMDJGACJWTLJB-CSODHUTKSA-N 408.470 0.499 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)c1 1838906456 KLCSVOXGHWPEDM-OAQYLSRUSA-N 407.430 0.732 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(F)cc(F)c1)CCO2 1839003366 DBFQMMDPTZXSPX-IBGZPJMESA-N 408.357 0.123 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CC=CCC1)CCO2 1839125343 NCFCJSXNIJWQKO-IYOIXKLHSA-N 417.506 0.658 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)nc2nccn12 1839549987 PPXHSRUBBWBLMV-AUUYWEPGSA-N 419.507 0.426 30 20 HCED N#Cc1cccc(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4ncc[nH]4)CCO3)C2)c1 1840325565 FWBYOSRPACUDIV-QFIPXVFZSA-N 423.473 0.984 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)n3cnnn3)CCO2)C1 1840478128 YCXPHUWTFJFNRF-SQGPQFPESA-N 418.498 0.459 30 20 HCED COCCOCCOCCOCC(=O)N1CC2(CCCN2C(=O)C(C)(C)C#N)C1 1841138519 HQCNZZFZJYCTER-UHFFFAOYSA-N 411.499 0.436 30 20 HCED CN(C)C(=O)C(=O)N1CCCC12CN(C(=O)c1ccc(C#N)nc1C(F)(F)F)C2 1842836398 FVTNYRHFCVIFFN-UHFFFAOYSA-N 409.368 0.877 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H]2C=CCN2)C1 1843334603 OPAYHCLQQUSOTM-JKSUJKDBSA-N 402.495 0.634 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)c1cn3[nH]cnc(=O)c3c1C)C2 1844237602 BHGRAXGBRJDGSE-OAHLLOKOSA-N 413.478 0.721 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195526 AIHRFFYOEMLZFV-HXUWFJFHSA-N 419.478 0.925 30 20 HCED N#Cc1ccc(CCC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2C(=O)C=CC2=O)cc1 1847215073 KNPHAUOOJYDRLN-ROUUACIJSA-N 406.442 0.618 30 20 HCED COC(=O)[C@H](F)C(Nc1sc2c(c1C#N)CCC2)=C1C(=O)NC(=S)NC1=O 9954063 IREOCVMTLQJOLG-SNVBAGLBSA-N 408.436 0.816 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 15808391 SQUGPFKADQVCER-GFCCVEGCSA-N 400.428 0.694 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)NCCOC 31221595 NYSKZVNSAFTTTL-UHFFFAOYSA-N 414.256 0.977 30 20 HCED COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1 409515231 SNKPZVXQGPXIJZ-HNNXBMFYSA-N 409.512 0.588 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCO1 409543341 LIXUYQCKUHOCHV-KRWDZBQOSA-N 407.496 0.148 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 410143689 DMTWNZQQHYASJV-KRWDZBQOSA-N 419.551 0.920 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(Cc2nn[nH]n2)cc1 427067647 QWALXNXCNMLZDJ-LBPRGKRZSA-N 411.447 0.968 30 20 HCED CS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 427329391 RVJPCFDHIHOGFL-UHFFFAOYSA-N 402.379 0.106 30 20 HCED CCN(C(=O)[C@H](C)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@H]1CCS(=O)(=O)C1 428811489 VGDHCHSNEYZJAJ-BHYGNILZSA-N 406.508 0.830 30 20 HCED Cc1cccc(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c1C#N 433881361 GCZJVSCISUUMPD-CQSZACIVSA-N 404.434 0.980 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OC 436993977 JMWLIGKYQLXOQT-OAHLLOKOSA-N 412.464 0.651 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H]2C[C@H](N(C)C)CC[C@@H]21 437753501 CBEPULWRVUZLFY-QNDJGXFYSA-N 420.535 0.935 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439289198 IQYBSSWXOOSAIP-AWEZNQCLSA-N 413.466 0.492 30 20 HCED COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 439816615 YPDZHGVJDMLHAH-QBPKDAKJSA-N 423.429 0.891 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)C1=O 440278259 CWRHMTNVYLPRDV-LJQANCHMSA-N 413.522 0.618 30 20 HCED CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442017120 ZZDMDPNJDYVRTB-MSOLQXFVSA-N 407.478 1.222 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1N 446520519 YRQALLHDCHJFBT-LBTBCDHLSA-N 416.441 0.863 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 460617522 FXPGMDWHJIKSBD-QGZVFWFLSA-N 407.478 1.473 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CCO)Cc1cnn(CC)c1 460783080 WYJGCLCSLJFZFB-CQSZACIVSA-N 411.532 0.680 30 20 HCED CNS(=O)(=O)c1ccc(O)c(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 461460362 MGFFRJSXXHKCLD-UHFFFAOYSA-N 424.460 0.089 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(S(=O)(=O)N(C)C)o1 465257506 FZMVCKMERYSVHT-LBPRGKRZSA-N 404.452 0.542 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H](CO)O1 469980806 HEJDEIOPVOOBJT-LSDHHAIUSA-N 415.450 0.536 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)Cc1ncnn1CC(F)F 470570763 RXWYBJNIOANVSV-LLVKDONJSA-N 412.422 0.740 30 20 HCED Cc1nn(C)c(N2CCN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)c1C#N 472095463 PTKKPVMXAWMZIO-QGZVFWFLSA-N 423.433 0.963 30 20 HCED COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472212736 MVAPQMLTUYNJBZ-GDBMZVCRSA-N 409.512 0.784 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cn(C)nc2OC)cc1 475454192 QFIJTOMJYHJJOS-UHFFFAOYSA-N 407.452 0.812 30 20 HCED CC#CCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 477438379 UEAWGNIYYXWPLU-AWEZNQCLSA-N 406.913 0.561 30 20 HCED CS(=O)(=O)N1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 487153750 GIAMYECSEPMVTL-QGZVFWFLSA-N 419.507 0.336 30 20 HCED Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)nn1CCC#N 504293093 JLKYFKYHHSBQLI-CYBMUJFWSA-N 416.463 0.744 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(C2CCN(C)CC2)c1=O 505654819 BHQVMTYMSNSZLC-UHFFFAOYSA-N 413.547 0.947 30 20 HCED C=CCc1ccc(OCC(=O)N[C@@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(OC)c1 505956792 LVGGHZOINLIZEV-HOCLYGCPSA-N 424.519 0.858 30 20 HCED CN(C)S(=O)(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)C(F)(F)F 507053959 RMOYHONRWRGXHG-LLVKDONJSA-N 410.349 0.574 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 508709848 POFRWBNWSLFEHB-UHFFFAOYSA-N 424.571 0.769 30 20 HCED CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCC[C@H]1O 511565922 LKWOZNQCRBWYHB-IAGOWNOFSA-N 406.508 0.236 30 20 HCED COC(=O)CCN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 516691683 SFAHZOWKKNWWLX-OAHLLOKOSA-N 409.464 0.407 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC(CCO)CC2)CC1 518582293 NTIBEAKBOWLZAN-UHFFFAOYSA-N 420.535 0.486 30 20 HCED C=CCN(CC#CCN(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 530464300 WWUILPWKRWNRJY-HDICACEKSA-N 400.566 0.340 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 531256300 YWEJHNDOEZZPGS-UHFFFAOYSA-N 402.418 0.821 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O)c1C 534198260 RCVQFNCPATZCBY-NSHDSACASA-N 403.464 0.849 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)n1 538102945 RUYJWGUHJNCYCW-NZBPQXDJSA-N 424.461 0.372 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 539690879 XFWRAXOOXYTLJG-SFHVURJKSA-N 424.505 0.995 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N 545350603 USJIVYHNCKIEBW-UHFFFAOYSA-N 414.915 0.623 30 20 HCED Cn1ncc2c1CCC[C@@H]2NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 551009565 PDSSPKCHGSGXMW-ZWKOTPCHSA-N 420.473 0.703 30 20 HCED CS(=O)(=O)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 551576544 LPAKXLAZSDZXMZ-NSHDSACASA-N 401.391 0.991 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)CC1 554827259 BYCPNVHNDAZQLJ-JXFKEZNVSA-N 415.519 0.773 30 20 HCED CC(C)COCCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555778400 XZYHPHWKLPICBE-SFHVURJKSA-N 400.479 0.954 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN4CCCC[C@H]34)C2=O)cc1 556361242 SSBXNUWKZNRFEL-GBESFXJTSA-N 409.490 0.913 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)n1 572687368 ZAMYALGFHIJDJE-HIFRSBDPSA-N 407.434 0.595 30 20 HCED COCCn1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1 573768019 CNEAQXBHLGKRDQ-UHFFFAOYSA-N 403.468 0.453 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OC 578036931 KRCRBTQUMJTDGA-UHFFFAOYSA-N 404.467 0.667 30 20 HCED CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC 580680439 HUUDIGWBMGJVKS-ZDUSSCGKSA-N 401.510 0.508 30 20 HCED CC[C@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C[C@H](C)S1(=O)=O 584798363 JNOVPQQUXDOPAG-ZFWWWQNUSA-N 413.521 0.603 30 20 HCED N#Cc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Cl 588043118 IQGDYEOGSATIEU-SCFUHWHPSA-N 416.825 0.575 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(=O)Nc2ccccn2)n1C 589244437 ACARLYDSCXNHEK-ZDUSSCGKSA-N 404.438 0.839 30 20 HCED COC[C@@H]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 740508282 SVLBDEONTUKGBA-LQFHHUIYSA-N 422.507 0.933 30 20 HCED COCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 742142952 DLEPHZZTXOZVSQ-UHFFFAOYSA-N 424.482 0.218 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2occc2C)c1=O 743725570 VCYARICKMBAQTO-UHFFFAOYSA-N 419.528 0.536 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cc1Cl 744114359 PYLAPBLCVJOOCB-GBOPCIDUSA-N 423.834 0.179 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 746355122 RKPYBCSTMFHLFH-UHFFFAOYSA-N 400.826 0.983 30 20 HCED Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 748427660 KPUOJBUFKXVRAK-UHFFFAOYSA-N 419.463 0.637 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1F 752508717 YWGLTEXYISLSSC-UHFFFAOYSA-N 403.439 0.963 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)S(C)(=O)=O 754235697 HMNUBHAIQQTBKB-OCCSQVGLSA-N 415.537 0.833 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758051908 PBIICRPOEKNHHP-UHFFFAOYSA-N 423.494 0.589 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C)ccc2F)c1=O 758076339 GKOCWNJGAVIJKX-AWEZNQCLSA-N 413.474 0.645 30 20 HCED C[C@H]1CC(=NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)NO1 765377898 JSHPHEBMGJSQMB-AAEUAGOBSA-N 403.482 0.007 30 20 HCED C[C@H]1CC(=NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)NO1 765377900 JSHPHEBMGJSQMB-WCQYABFASA-N 403.482 0.007 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1CCCOCC 767872552 QSUWEUCAAAFRIT-UHFFFAOYSA-N 406.533 0.822 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncs2)c1=O 767874564 XXMSWZOVILLDTQ-UHFFFAOYSA-N 418.544 0.918 30 20 HCED N#C[C@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)C(=O)N1CCS(=O)(=O)CC1 770867346 ZQHYHKGWUKUUHB-LLVKDONJSA-N 414.365 0.933 30 20 HCED CN(CCOC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)S(=O)(=O)N1CCOCC1 777318472 ODOLKZDEDFYLHB-SFHVURJKSA-N 422.507 0.579 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C)nc1Br)[C@@H]1CCS(=O)(=O)C1 783480435 JUXXXYGQKDGCFP-LLVKDONJSA-N 414.281 0.740 30 20 HCED CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)=NO1 788661553 MBEHGVFHCFGAFF-QSJBWMMGSA-N 407.427 0.299 30 20 HCED COc1c(O)nc(O)nc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789960667 RZZQHDXWANKBNQ-CIAFOILYSA-N 421.435 0.962 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCC4(CC3)OCCO4)CC2)o1 796277696 ADGSLNOZGRJCCF-UHFFFAOYSA-N 418.450 0.980 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NS(=O)(=O)NC)cc2)c1 798143633 CJWIPXMEVBQHPO-UHFFFAOYSA-N 422.488 0.727 30 20 HCED COc1ccccc1N(CCC(N)=O)C(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798744537 UJGNAFZLCUMSQA-GFCCVEGCSA-N 400.395 0.171 30 20 HCED COC(=O)NCCc1ccc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)s1 798860588 ZJRQEHQXRONXET-SECBINFHSA-N 412.453 0.176 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)c2C1 801287979 MGFAFOACXGXANN-INIZCTEOSA-N 407.478 0.811 30 20 HCED Cc1c(-c2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)c(O)nc(=O)n1C 904908946 FTSDCZVFIMKIKC-UHFFFAOYSA-N 416.419 0.703 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2C(=O)N[C@H](CCS(C)(=O)=O)C2=O)cc1C 913607220 QDDONYVZJNTARZ-MRXNPFEDSA-N 420.491 0.905 30 20 HCED Cc1oc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)c(C#N)c1C 914654948 WBBOVQSEHXLCOU-QWHCGFSZSA-N 423.447 0.285 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 916890479 IMLIAVINMHIFSX-AWEZNQCLSA-N 409.464 0.565 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NC2CCN(CC#N)CC2)CC1 1117326672 LVQMVEYZUYIPRE-UHFFFAOYSA-N 400.501 0.126 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C(=O)NCCO)CC3)C2=O)cc1 1312628110 YVIRCDAAMZVRIG-GOSISDBHSA-N 413.478 0.189 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC2=O)cc1 1318074832 VGZVYDWODIXDIV-LLVKDONJSA-N 412.324 0.842 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](n2cncn2)C(F)(F)F)c1 1457972021 RGGPZMXWIZYZKR-LBPRGKRZSA-N 402.358 0.348 30 20 HCED N#Cc1cn(CCNC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c(=O)nc1O 1470360927 LVGMBZATLZPOMS-JTQLQIEISA-N 419.800 0.782 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 1533849251 NGBQQPMOYNCBON-CJNGLKHVSA-N 419.445 0.526 30 20 HCED COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 1562623912 UBWRGMPGRFSCSN-UONOGXRCSA-N 408.480 0.941 30 20 HCED C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1613010524 LATOETAXOIXWNX-INIZCTEOSA-N 409.494 0.816 30 20 HCED CN1CCN(CCCS(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 1621610691 UFSGPKJBXSJHHG-FQEVSTJZSA-N 405.568 0.836 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2=O)cc1 1626533461 JHSXSKVUWZPEGQ-HNNXBMFYSA-N 407.434 0.772 30 20 HCED N#Cc1cn(CC(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)c(=O)nc1O 1632503982 SECQYPHAHFYZLH-ZDUSSCGKSA-N 403.395 0.500 30 20 HCED Cn1cc(C(=O)C[C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1636727518 YBPQKXHVTNWGAG-MRXNPFEDSA-N 415.475 0.834 30 20 HCED CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1706647585 SITCPPNIZBMPCU-HNNXBMFYSA-N 408.528 0.835 30 20 HCED Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCS(C)(=O)=O)n1 1707601173 JMZSDABIXARNLM-MRXNPFEDSA-N 415.523 0.870 30 20 HCED CNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1711403558 XVHVFZFOYRQRGZ-AWEZNQCLSA-N 409.498 0.743 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCCS1 1723956121 QPVQYAMKFLKFRX-WOSRLPQWSA-N 414.557 0.903 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCOC1 1741916217 VHVNABGMAWHKHS-DYVFJYSZSA-N 412.516 0.170 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)F)C1 1750379274 SHNPSMOVTFMNIC-BMIGLBTASA-N 420.417 0.003 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1750751743 KWTWIZXNILCRFM-KRWDZBQOSA-N 423.587 0.981 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(CCN(C(=O)CCN3CCOC3=O)C2)C1 1778160445 GMPQVAYIGXMIJL-QGZVFWFLSA-N 401.410 0.870 30 20 HCED COc1cscc1C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC(=O)O)C2 1778340490 SHWGJWVHSOEGJS-DNVCBOLYSA-N 406.460 0.972 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1778553974 NGWUAFNQMBEENM-FOIQADDNSA-N 402.451 0.147 30 20 HCED Cc1ncncc1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020524 QZJXUOLBHWOQDU-QOOAHNBZSA-N 400.483 0.700 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)c1cnsn1)CCO2 1779063384 XCRSCKZSNJKIJE-LJQANCHMSA-N 404.492 0.680 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@]3(CN(C(=O)Cn4nccn4)CCO3)C2)c1Cl 1780191255 BOKNNTJJPWMEBZ-IBGZPJMESA-N 414.853 0.947 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cnc(C)nc1)CCO2 1781264753 BUBKREVAJGPFRS-HXUWFJFHSA-N 402.451 0.738 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Cn3ccnc3)C2)C1 1784492833 CQTNYPRTUCWIQL-FPSSLUBQSA-N 415.494 0.208 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C[C@@H]21 1788571574 NZCSDMWHVUNBFO-DKIMLUQUSA-N 404.511 0.895 30 20 HCED CC(C)N(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@@H]3CCCCO3)[C@H]2C1 1788661787 YKDMMRZMCBFDKP-WXDQZKEGSA-N 424.542 0.835 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(Cl)nc3F)C[C@@H]21 1791073962 GYIRZQHGNKUWGL-DRZSPHRISA-N 409.801 0.555 30 20 HCED C[C@H](C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/N3CCCCC3)C[C@@H]21)n1cccn1 1791641347 YDUYCBVUVWBVFB-QOHMCUEZSA-N 416.526 0.896 30 20 HCED Cn1nccc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145118 IMYCHMXFALJFJL-ZWOKBUDYSA-N 423.473 0.964 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@H](C)ON=C(C)C)C3)C1 1792973315 PTXJORCWHCTUIU-SOMFZHDCSA-N 423.510 0.966 30 20 HCED Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC2CC2)cc1 1793262961 YESPMAFALXVHJG-HATOLVCRSA-N 409.486 0.728 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCC(=O)N1CCCC1)C2 1793340512 JVWYAWVCNKGLLY-PDOICOKGSA-N 405.495 0.017 30 20 HCED Cc1cc(C(=O)NCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](S)C(C)C)no1 1793383862 GHAHZMZNSHVAQZ-RMHZUWNSSA-N 424.523 0.257 30 20 HCED Cn1ccc(CC(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C#CC2(O)CCCCC2)C3)n1 1795812305 CGHIJKJHUQUVCY-UPHUGPLXSA-N 414.506 0.251 30 20 HCED C[C@@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)C(C)(C)NCCC#N)N1CCN(C)CC1 1796044098 BKHNJDYSUXLDAL-OKYOBFRVSA-N 418.586 0.542 30 20 HCED Cc1cnc2c(C(=O)N[C@@H]3[C@H]4COC[C@@H]3CN(C(=O)c3cc(C#N)c[nH]3)C4)cnn2c1 1797418918 FIABEBJWGNAPQO-JLVBRIDZSA-N 419.445 0.755 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccn2ccnc2c1 1797445708 WCUNAYKTTJOQQE-IZZQQSIFSA-N 424.505 0.819 30 20 HCED 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CNCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991057 AYCLQIWMDWSDMK-UPHUGPLXSA-N 400.479 0.526 30 20 HCED CCOC(=O)N1CCC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C#CC(=O)O)CC1 1801992033 GDJKRHBQUCDUPH-MUJYYYPQSA-N 405.451 0.581 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC2(CCN(C(=O)[C@@H](N)CCC(N)=O)CC2)C1 1809772606 CCVFSQHLBRPQHW-INIZCTEOSA-N 420.558 0.092 30 20 HCED C#CC(=O)NC[C@H]1CCN(C(=O)c2cc3n(n2)CCCNC3=O)[C@H]1c1cccnc1 1812528098 DMOJXDUXTSTMLN-BEFAXECRSA-N 406.446 0.364 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1c1cccnc1 1812872681 GRGLVOGAGWTUOH-ACJLOTCBSA-N 412.358 0.990 30 20 HCED C=C1CC(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3NC(=O)NC3=O)[nH]n2)C1 1814392386 KIJFTJGRERIISB-ZIAGYGMSSA-N 400.439 0.966 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@H]2CCCCN2C(=O)C(=O)N(C)C)[nH]n1 1814435775 BYORWBNRJZGQJE-QIAWRQBBSA-N 402.455 0.348 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cc(C(=O)O)ncn2)n[nH]1 1816156122 MSTPKSPJVLEKNK-CYBMUJFWSA-N 412.362 0.292 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1C1CCN(C(=O)[C@H](C)NC=O)CC1 1823748635 SDHXCLMAYVTFOL-UGKULVSSSA-N 404.511 0.599 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)CCO2 1829621015 FSVYLWHOBVWQOI-FQEVSTJZSA-N 416.434 0.897 30 20 HCED C[C@H](NNc1ccccc1)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1 1829806471 DSYMLRBYFWODTP-OXJNMPFZSA-N 401.467 0.362 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831213688 ZGQSLIIITCOVKL-OAQYLSRUSA-N 402.495 0.138 30 20 HCED COC(=O)CCCCCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3CC3)CCO2)C1 1831224403 LBUBKUPTHIUDCW-QFIPXVFZSA-N 420.506 0.980 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1831438800 WMJFQLPGVKSEIQ-OXJNMPFZSA-N 406.483 0.010 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(O)ncn3)CCO2)C1 1831738768 OAOSPNSGJKIQMK-IFXJQAMLSA-N 421.454 0.053 30 20 HCED C[C@H](S)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CNCP(=O)(O)O)CC1 1831838560 CGFRPFOXSVJDJE-JSGCOSHPSA-N 407.473 0.649 30 20 HCED 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C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)CC)CCO2)C1 1834819719 JXAOYCJWKRMFLH-IIBYNOLFSA-N 423.510 0.769 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)Cc3nnc(C)o3)CC2)CC1 1834831882 PRTUBLJQBMIETO-HNNXBMFYSA-N 417.510 0.530 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4[nH]nc5ccncc45)C3)C2)CC1 1835342563 VRNASVJQTRFYFW-FQEVSTJZSA-N 410.434 0.332 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1835357432 YVVACBRLLXTWCZ-FQEVSTJZSA-N 401.419 0.789 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 1835445617 RZWIZGRFVMCTRY-IPELMVKDSA-N 407.555 0.902 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(F)CCC3)C2)C1 1835680661 JEODRNGTSCQXJK-LJQANCHMSA-N 410.490 0.617 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)[C@@H](C)CC)C2)C1 1837393611 WTFHLTYFUWYXSC-OPOADAIRSA-N 412.527 0.423 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(F)c3)C2)C1 1837394694 IANUSHGILGUIAP-UTKZUKDTSA-N 421.469 0.864 30 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CN(CC(=O)N1CCOC[C@H]1C#N)S(=O)(=O)c1ccc(Br)cc1 461844469 GSDPYKOUCFNGTO-GFCCVEGCSA-N 402.270 0.821 30 20 HCED COC(=O)C[C@@]1(NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOC1 464606950 JMFOOCAPILMUIT-NQIIRXRSSA-N 418.469 0.846 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)C1=O 465111332 IYCGTTDIDIURBE-INIZCTEOSA-N 412.446 0.313 30 20 HCED C[C@H]1CN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCO1 470067552 QOFKDMAFYIHPMX-JKSUJKDBSA-N 408.524 0.842 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1C 480244682 AUKSODLLBUACOM-UHFFFAOYSA-N 411.405 0.731 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(C#N)cs2)c1=O 481974341 CAHKDZUPCXQCEL-UHFFFAOYSA-N 416.528 0.909 30 20 HCED CCc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(CC)CC3)n(C)c2=O)cc1 489176169 DVYMALXATYEIJG-UHFFFAOYSA-N 410.543 0.676 30 20 HCED C=CCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 490049194 XXUACVRAGOMGKA-UHFFFAOYSA-N 409.508 0.802 30 20 HCED Cn1cc([C@@H](CO)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 494807954 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30 20 HCED COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 514734252 DYDDUKYSKMAHKV-OLZOCXBDSA-N 410.224 0.784 30 20 HCED C=CCN(C(=O)CCC(=O)N1CC(=O)Nc2ccccc21)[C@H]1CCS(=O)(=O)C1 517764605 MMJBIBUEGPRRIP-AWEZNQCLSA-N 405.476 0.954 30 20 HCED C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCO[C@@H](C#N)C1 518004044 XSCUDDAEPHTDGJ-HOCLYGCPSA-N 408.480 0.259 30 20 HCED C[C@@H](C#N)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 521068542 FXFVFAAEMVWNRM-AWEZNQCLSA-N 419.507 0.803 30 20 HCED C=CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)[C@H](C)c1cccc(-n2cnnn2)c1 532961457 MQCUKKWLJQFFQY-CYBMUJFWSA-N 424.465 0.074 30 20 HCED C=CC[C@H](CO)CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 538218893 NGDYRUUDHAPUPJ-HNNXBMFYSA-N 411.524 0.688 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 543394335 IMUDUSLJWHQKLC-NSHDSACASA-N 420.882 1.000 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)c1ccc(C#N)cc1 550979603 PEWATPMYHDIQKV-GJZGRUSLSA-N 418.461 0.910 30 20 HCED N#Cc1ncn(CCNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)n1 552332721 CWGORGRGAVMGKR-UHFFFAOYSA-N 412.269 0.643 30 20 HCED CN(C)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1O 556975322 SNLQEWNDVVOVON-ROUUACIJSA-N 406.508 0.092 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 559440263 JADOKULRSISWOT-SFHVURJKSA-N 414.510 0.075 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C)S1(=O)=O 563755626 TVSHJYAMMZHBHC-VXGBXAGGSA-N 402.436 0.111 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 565058311 VDZDOPIRQCGBLN-UHFFFAOYSA-N 424.442 0.297 30 20 HCED CC[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H](C)S1(=O)=O 574423356 CMWSESYZOPGRMF-UKRRQHHQSA-N 409.512 0.401 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCOC[C@@H]3CCCO3)CC2)nc1 586830939 RMQYWRKUCKNQFZ-KRWDZBQOSA-N 401.467 0.350 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)cc1 588843632 YLMVOHHEROVBHL-KRWDZBQOSA-N 417.491 0.884 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 603661908 RBQNVXCLCBUAGZ-BEFAXECRSA-N 407.540 0.899 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@]3(C#N)CCSC3)c2)CC1 603883137 JYANCCLCBRZHAR-SFHVURJKSA-N 422.532 0.668 30 20 HCED COCCN(CCC#N)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 610391733 LWIMHXMYDPMSAI-UHFFFAOYSA-N 424.523 0.186 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)C1=O 623217213 IINAEHHYIPYOEO-UHFFFAOYSA-N 416.409 0.477 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 645624621 ZXOJUGJEPSCTAV-WMLDXEAASA-N 406.508 0.594 30 20 HCED CCC(=O)N[C@@H](C)C(=O)OCCc1c(C(=O)OC)[nH]n(-c2ccc(C#N)cc2)c1=O 729089283 JRHBRHZDCSUMGS-LBPRGKRZSA-N 414.418 0.824 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1n[nH]cc1Br 729281105 PBZRHMSRBZBPFJ-UHFFFAOYSA-N 412.269 0.917 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 733149609 NDCXLZSIBDEGIC-NRFANRHFSA-N 412.515 0.899 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)CC1 733150090 AIIWSRURCCWQGM-INIZCTEOSA-N 408.568 0.608 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCN(C3CCOCC3)C2=O)c1 746939099 CJSVWHDPIBWBTF-KRWDZBQOSA-N 406.460 0.535 30 20 HCED COC(=O)[C@@H](OC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1cccc(C#N)c1 748417097 JXOCUTTUTWHPJV-INIZCTEOSA-N 422.397 0.883 30 20 HCED N#Cc1ccc(N2CC[C@H](OC(=O)CCn3cc(S(N)(=O)=O)cn3)C2=O)cc1 749327968 JKFSNZFWRISXOC-HNNXBMFYSA-N 403.420 0.141 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC1CCS(=O)(=O)CC1 753574305 CDOYVVMKBLHDHQ-GFCCVEGCSA-N 400.478 0.593 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 758091987 ZQEUEMPPGGCIEF-UHFFFAOYSA-N 409.515 0.455 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 766413060 VFMUCQDYRHNBRF-CQSZACIVSA-N 420.872 0.726 30 20 HCED C#C[C@H](C)N(C)C(=O)CCC(=O)N(CCOC)c1c(O)nc(=O)n(CCC)c1N 767254371 LXXXXAZGQJCHRO-ZDUSSCGKSA-N 407.471 0.181 30 20 HCED COC[C@](C)(C#N)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 771580022 SVUIXTCRDPPKOE-UGSOOPFHSA-N 407.448 0.669 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(Cn2cccnc2=O)c1)c1cc[nH]n1 772121673 JVIGRPAYASXJCD-UHFFFAOYSA-N 424.417 0.937 30 20 HCED C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)[C@@H]1CCCO1 776231298 OSFLQRPIZLRTMC-HOTGVXAUSA-N 421.475 0.311 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCCn1ncc(C#N)c1N 777311168 OJFMOMZSFLGKHS-CYBMUJFWSA-N 406.443 0.396 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 780062178 LEOXUMOSZNNROE-CYBMUJFWSA-N 408.480 0.798 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(CC(C)C)nn3C)CC2)c1C#N 788340059 RVOXPCBNNCLDQJ-UHFFFAOYSA-N 412.498 0.820 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccnn2-c2ccc(C)nn2)n1 789789417 VAQSLZODORMCHC-UHFFFAOYSA-N 422.449 0.414 30 20 HCED C=CCN1CC[C@@H](N(C)CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)C1=O 799177417 NNTSRVMRYWBEKD-IERDGZPVSA-N 413.478 0.594 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CCO1 800080144 RFDBQPWNGWWYIL-BFHYXJOUSA-N 404.489 0.070 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)C1 803133686 CDTQWLQEZOOMFL-HNNXBMFYSA-N 407.515 0.854 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3CSCCS3)C2=O)cc1 806470640 ZSIDYQHJNISBHY-CVEARBPZSA-N 418.544 0.740 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1 806781502 YMFCKJBDOMHQDO-HYEKCJMVSA-N 404.471 0.492 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 807098057 VMLAYLSQNUORGB-CABCVRRESA-N 403.501 0.666 30 20 HCED C#Cc1cncc(C(=O)NCCC(=O)N2CCN(C(=O)c3cncc(C#C)c3)CC2)c1 807173617 ABHWYNNTSVSOQV-UHFFFAOYSA-N 415.453 0.544 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC(CNS(C)(=O)=O)CC1 807311102 FHTBTYXXLNSAMZ-CYBMUJFWSA-N 408.480 0.704 30 20 HCED COc1ccc(CCN2C[C@@H](C(=O)N[C@H]3CCCN(O)C3=O)CC2=O)cc1OC 820476250 JSTRGSNWNDLENK-GJZGRUSLSA-N 405.451 0.591 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(C)cc1 839237549 KVJQEDJHXHNHSI-UHFFFAOYSA-N 407.499 0.970 30 20 HCED COCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 918639677 HPVGONJQNDHAEF-NNLSSIJJSA-N 422.507 0.933 30 20 HCED CC(C)NC(=O)CN1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 1116318938 DNJZQHRIQYYIGJ-INIZCTEOSA-N 410.478 0.654 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1266230304 RYSCLUDUTXRXAI-JSGCOSHPSA-N 424.910 0.962 30 20 HCED CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)c3ccccc3C#N)c2C1 1345411719 LTDPHWHAADBRDN-ZDUSSCGKSA-N 401.448 0.572 30 20 HCED CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1503282564 NFGIQNHOOUZMTL-UHFFFAOYSA-N 417.495 0.034 30 20 HCED N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)CCO1 1555994572 XVMIPLWTDGXEEM-CQSZACIVSA-N 403.468 0.104 30 20 HCED N#CC[C@]1(O)CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1564703667 SVMBOQWKUABBGB-UTKZUKDTSA-N 418.469 0.903 30 20 HCED CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1S(C)(=O)=O 1722861560 OIEVJEOFGFJSCK-UONOGXRCSA-N 411.532 0.436 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)CC1 1731186725 XKEPUUJDIFIJKH-KRWDZBQOSA-N 401.515 0.816 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1751928468 OHQXHZCUUIYUIR-INIZCTEOSA-N 401.496 0.615 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760699104 WSKZRKLGQHELBF-GJZGRUSLSA-N 423.543 0.278 30 20 HCED N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOCC2)C1 1771530745 SQNHRJLBXLVLHD-LJQANCHMSA-N 405.478 0.565 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4n(n3)CCC4)CCO2)C1 1778971907 OGCMSOKKTYOKNE-DYESRHJHSA-N 402.495 0.846 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4[nH]ncc4c3)CCO2)C1 1778974261 XXRJQKCRYNOACR-HRAATJIYSA-N 413.478 0.975 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC4(O)CCCCC4)C3)C2)n[nH]1 1779066220 LARFXMFFLWBJAZ-OAQYLSRUSA-N 400.479 0.860 30 20 HCED 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414.462 0.038 30 20 HCED C=CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCC(=O)NCCC)C[C@@H]21 1784500434 PZTJGWRLTZLGPX-OWSLCNJRSA-N 409.527 0.864 30 20 HCED Cn1cc(CC(=O)N2CC[C@@]3(CN(C(=O)Cc4ccc(C#N)cc4)CCO3)C2)cn1 1784570603 JPDKLNXWNVZTKZ-QFIPXVFZSA-N 407.474 0.907 30 20 HCED CN1CCN(C2(C(=O)N3CCO[C@]4(CCN(C(=O)C5(C#N)CCC5)C4)C3)CC2)CC1 1785367490 RZOQGIXUUSYIST-NRFANRHFSA-N 415.538 0.290 30 20 HCED C#CCCC(=O)N1CC[C@]2(C1)CN(C(=O)c1ccc(S(C)(=O)=O)cn1)CCO2 1785421233 XDTRFUXGCHZQEE-IBGZPJMESA-N 405.476 0.342 30 20 HCED Cn1ncnc1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C/N=C/c3ccco3)C[C@@H]21 1785849712 SBADLOPDOSDZNB-RMFFEMKYSA-N 400.439 0.121 30 20 HCED N=C(N)SCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1 1788601964 ZAHHLRCCINBZHQ-NWAMADTHSA-N 424.571 0.455 30 20 HCED COc1cc(C#N)cc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCC(N)=O)C[C@@H]32)c1 1789260072 YZYNCDQOWMGUOC-WBAXXEDZSA-N 414.462 0.426 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21)C(F)(F)F 1790882475 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N#C[C@]1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCOC1 478653849 CIHWQYHAIDFBTR-SUMWQHHRSA-N 408.436 0.794 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](N2CCCC2=O)C1 484406249 GYFWMBQZOJFLJM-HNNXBMFYSA-N 407.434 0.609 30 20 HCED C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1 485408392 QDTNATPWMISECV-UONOGXRCSA-N 401.492 0.519 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 504968742 IEOBRILWGHHTFN-CJNGLKHVSA-N 418.479 0.173 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)n1 508340587 LLGITBTWNADKGD-UHFFFAOYSA-N 417.429 0.835 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)C(=O)C1 508842950 ADSDBLSQRNQTRU-UHFFFAOYSA-N 409.454 0.402 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 510230035 SJTVPLNUEGLWNV-RDTXWAMCSA-N 422.507 0.886 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)N[C@@H](C)COC)n(CC(C)C)c1=O 512720852 PINWUKGIXYKUSY-AWEZNQCLSA-N 417.535 0.436 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 514419123 MLFBFMORYKRQBZ-GMYLUUGSSA-N 406.483 0.810 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3)c2=O)cn1 523859357 LJKVYXLMQIOSKV-UHFFFAOYSA-N 405.483 0.897 30 20 HCED COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 525848509 FGPHTDZHXCFHSR-UHFFFAOYSA-N 420.376 0.958 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4nc(N)ns4)CC3)CC2)o1 526021387 HRZYSFPYLMWBRR-UHFFFAOYSA-N 402.484 0.854 30 20 HCED CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCCC#N)c2)CC1 544150993 WDVCRAYORJNKBF-UHFFFAOYSA-N 407.496 0.371 30 20 HCED Cc1ccc(-n2nc(CCCNC(=O)C(=O)Nc3nc(C)n(C)n3)c(C#N)c2N)cc1 550638163 HOXMVDAQOWYHRD-UHFFFAOYSA-N 421.465 0.759 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)nc1 550661890 VSZMXLYWRBDQIR-UHFFFAOYSA-N 416.445 0.762 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 551188438 NGVLNITWIHJBRQ-OAHLLOKOSA-N 409.450 0.474 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCOC[C@H]3CCCO3)CC2)cc1 552347218 SGGSRPYMJWMYGL-HXUWFJFHSA-N 414.506 0.904 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 554262519 CCGMLQIBYCMDLO-UHFFFAOYSA-N 423.157 0.926 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)CC1 554677044 PNAHZUUKYJUZGC-ROUUACIJSA-N 419.570 0.202 30 20 HCED CN1C(=O)COc2cc(NC(=O)C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc21 556326683 BTXYPEKAMONFPL-OAHLLOKOSA-N 421.413 0.927 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCn3cnc(C#N)n3)CC2)cc1C 560757200 SWCQJWDIZCIAAU-UHFFFAOYSA-N 416.507 0.984 30 20 HCED COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2cc(C#N)ncn2)CC1 578953900 NFZRVEGXGOHKAZ-UHFFFAOYSA-N 405.436 0.856 30 20 HCED CCCCN(C(=O)Cn1cnnc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 590653954 MQNJAYHCLWGNBK-UHFFFAOYSA-N 422.449 0.876 30 20 HCED CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@H](C#N)C2)o1 609268145 BSTKZNYZQKXTOI-OLZOCXBDSA-N 411.436 0.360 30 20 HCED N#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 609332467 HPEWXOBRCPWKPR-KRWDZBQOSA-N 406.508 0.862 30 20 HCED CCOC(=O)c1c[nH]nc1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 611016907 PYZKFIIWCPLFTG-UHFFFAOYSA-N 404.452 0.800 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1=O 726041973 ANCGEKZWMJPKJD-LBPRGKRZSA-N 405.382 0.865 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1=O 726042565 JXJKJGQZUVUXGU-LBPRGKRZSA-N 401.375 0.736 30 20 HCED CS(=O)(=O)N1CCCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726585316 ZSQGBSDGSYIBDP-UHFFFAOYSA-N 405.480 0.247 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 727010641 HAGNAWYLVPNHRV-UHFFFAOYSA-N 416.415 0.117 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c1 731127737 JXBYAEGGVSWZES-OAHLLOKOSA-N 412.398 0.922 30 20 HCED CN1CCC[C@@H](N2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 734453789 QKSYKYHBFBNCSM-MRXNPFEDSA-N 419.551 0.354 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742601067 CQZXUEWJVQYAGW-CQSZACIVSA-N 416.503 0.492 30 20 HCED COc1ccc(CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)cc1F 746354045 CBCAKXTYNCLYET-UHFFFAOYSA-N 400.414 0.837 30 20 HCED CNS(=O)(=O)c1cc(C(=O)OCC(=O)NCc2cccc(C#N)c2)ccc1OC 746554477 MPUAPNROBBZJPD-UHFFFAOYSA-N 417.443 0.948 30 20 HCED COc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 749628666 NDPSJWULBBZFQV-QGZVFWFLSA-N 420.429 0.995 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(F)cc1OCC#N 761082163 JGCPRWRCBJBLJH-INIZCTEOSA-N 419.457 0.725 30 20 HCED N#C[C@@H](C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCS(=O)(=O)CC1 764643414 XKNFZVNCDLNJSN-LBPRGKRZSA-N 417.403 0.360 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 765566646 NHDVRSHFMGSWST-GFCCVEGCSA-N 408.480 0.961 30 20 HCED COC(=O)C[C@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 771657003 RCDBGRLPKOAOMP-GOSISDBHSA-N 409.464 0.344 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1C)[C@H]1CCCO1 773793044 QQRLUXWMDSGIII-NVXWUHKLSA-N 419.503 0.980 30 20 HCED CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)C1 774226130 LMGBFKVJADSBSA-NZBPQXDJSA-N 401.419 0.850 30 20 HCED C#C[C@@H](NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCCO1 775795094 LUCLEFVJWIVTGV-MOPGFXCFSA-N 421.519 0.094 30 20 HCED C=CCS(=O)(=O)CCNC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1 783618713 VLGVZMNJRVQLID-UHFFFAOYSA-N 407.448 0.212 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 786994504 CMTZUECZZSARIT-JXFKEZNVSA-N 408.499 0.297 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cccc(C(=O)NC)c2C)n1 789789086 ZEZOABPROPISMJ-UHFFFAOYSA-N 411.462 0.798 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(F)c1 802553612 FCIPVCKGCRSVEX-UHFFFAOYSA-N 404.417 0.651 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c(F)c1 802576257 KZKSFMOIEVQFCV-ZDUSSCGKSA-N 411.430 0.911 30 20 HCED C=CCCN(C)C(=O)C(=O)NCCNc1ncnc2c1c(Br)nn2C 804850485 KGGHRBAKZVLOJX-UHFFFAOYSA-N 410.276 0.688 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)N2CCN(CC)CC2)c1 805697922 KUOGVGQZPUVBCK-HNNXBMFYSA-N 407.492 0.308 30 20 HCED CN1CCC(N(C)c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 807367674 YCFKLARDDQQVBF-UHFFFAOYSA-N 410.482 0.435 30 20 HCED COc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1C#N 809504570 MCOJMYATLOGNEO-UHFFFAOYSA-N 422.445 0.026 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 811312717 LLPMPAGQLYROBW-ZDUSSCGKSA-N 421.500 0.737 30 20 HCED COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCc3ccc(C#N)cn3)c2)nn1 812982970 UXAOERXBCBBPQY-UHFFFAOYSA-N 405.374 0.575 30 20 HCED COC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 815813129 ATBFWYQSKGZHQX-IXPAQYDLSA-N 408.480 0.685 30 20 HCED O=C(CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)N[C@@H]1CCCN(O)C1=O 820482813 SBTJLXZUBVXCHN-MRXNPFEDSA-N 410.496 0.915 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 916866712 CJWNMOHGTFZQLZ-ZDUSSCGKSA-N 413.452 0.166 30 20 HCED N#C[C@H](C(=O)NCc1ccccc1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 916888881 BOYJXWDNQREUFC-XHSDSOJGSA-N 403.460 0.047 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 917001707 BKSBEJJCZPKOLF-AWEZNQCLSA-N 407.448 0.329 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1 918938477 SVAKLMLFPCZNOM-LBPRGKRZSA-N 416.887 0.955 30 20 HCED CC1(C)C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 1289006366 SJTGHQZTUISUII-RBSFLKMASA-N 424.527 0.386 30 20 HCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1313498890 ZYRBFIYVVMZGDK-UHFFFAOYSA-N 411.466 0.533 30 20 HCED CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1314739924 JYUOGIMINSYTOJ-KRWDZBQOSA-N 423.477 0.596 30 20 HCED COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2cc[nH]n2)c1 1315566680 JOZDUQPDIIKPPE-MRXNPFEDSA-N 422.449 0.836 30 20 HCED N#CCN1CCC(CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1 1319138058 OWTMSDZHLUXHNZ-KRWDZBQOSA-N 411.462 0.268 30 20 HCED Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCS(=O)(=O)N(C)C 1492927652 YEFJQZVOGIOTEF-UHFFFAOYSA-N 417.539 0.672 30 20 HCED Cc1cnc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nn2c1 1588158203 RGUBTWAYHHOYGX-UHFFFAOYSA-N 411.447 0.451 30 20 HCED Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1607425653 KJIDUEDTWQVYDE-AWEZNQCLSA-N 405.480 0.315 30 20 HCED CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1617411358 GMLHEIDHEHEVML-HYDGNGQDSA-N 416.507 0.537 30 20 HCED CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682384695 JGPGSUOZCAFMKR-QZTJIDSGSA-N 406.508 0.634 30 20 HCED CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1695918983 ZWUDSNRHCXLXLO-ZIAGYGMSSA-N 410.544 0.938 30 20 HCED C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1726638259 LQTMCIURBSZWJK-ZDUSSCGKSA-N 402.480 0.528 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCn1cncn1 1741931953 WCPQGITZWBLNGE-XJKSGUPXSA-N 407.504 0.310 30 20 HCED CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(=O)NC)CCOC1 1767474848 XVSCRODPAGSDRS-JXFKEZNVSA-N 417.514 0.243 30 20 HCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(CN(C(=O)CCC#N)CCO4)C3)cnc2c1 1777995293 LAXAVWOCWRFZPR-OAQYLSRUSA-N 409.446 0.750 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1778520497 DPRGOKWBBPMKAU-IIBYNOLFSA-N 411.462 0.520 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)Nc3cnccn3)C2)C1 1779051672 OKZYLSYDEIVIAF-YRNRMSPPSA-N 401.467 0.145 30 20 HCED COc1nccnc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134046 AXIWXUQKLOLFOX-YUSOBQLHSA-N 413.434 0.641 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](O)N3CCOCC3)CCO2)C1 1779241120 UGUCILNOEYQIBG-LAUBAEHRSA-N 409.527 0.459 30 20 HCED C#CCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCNC(=S)NC)C1 1779382013 KENQMTQFHPFIHH-OXQOHEQNSA-N 408.568 0.788 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C)n(CC)n3)C2)C1 1779713836 HHHMATIDLBCWOI-IZRJCCQOSA-N 415.494 0.513 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@]3(CN(C(=O)CCN4C(=O)C=CC4=O)CCO3)C2)cc1 1780692457 VKCBBDGXMPXBSE-QFIPXVFZSA-N 422.441 0.317 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)Cc3ccc(OC)cc3C#N)C2)C1 1781171460 ZCEPORJJZOSRJP-RXVVDRJESA-N 401.463 0.710 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(CN(C(=O)/C=C/C(=O)OCC)CCO2)C1 1781267226 PJVBOOZXPVDMRJ-ROUKRRSUSA-N 408.451 0.445 30 20 HCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CCc3nc(O)nc(O)c3C1)C2 1781690997 XJAMGFHMONPKNQ-CQURBHOASA-N 414.462 0.140 30 20 HCED C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C2 1781692496 QSSMFEWFTOMNNY-WHSLLNHNSA-N 423.510 0.409 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-n4cccn4)cc3)C2)C1 1781719230 MLDWANAHGBWOHL-OAQYLSRUSA-N 408.414 0.404 30 20 HCED C=C(C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CCCS1(=O)=O)CCO2)C(F)(F)F 1783211569 WNULMFFDLBFQSZ-DOMZBBRYSA-N 410.414 0.512 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])CCO2 1783567837 CDTNJKJSYQLFBG-RRFGBZISSA-N 413.386 0.526 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H](C)CN)CCO2)C1 1783766712 OEOKIBSWBCMRIU-GCKMJXCFSA-N 424.542 0.881 30 20 HCED C[C@H](S)C(=O)N1CC[C@]2(CN(C(=O)c3cnc4c(c3)CCNCC4)CCO2)C1 1783895848 VJBQUSUVZMTIFA-VBKZILBWSA-N 404.536 0.532 30 20 HCED C[C@@H](S)C(=O)N1CC[C@@]2(CN(C(=O)c3cnc4c(c3)NC(=O)CS4)CCO2)C1 1783897036 MSTSQNCHHBGBDB-ZMZPIMSZSA-N 422.532 0.888 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4CCNC(=O)C4)C3)C2)cc1 1784031889 SSJJBWJDTUJEST-XMSQKQJNSA-N 410.474 0.457 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ccnn4c3)C[C@@H]21 1784482785 SOGAUZPHIXQSCA-UHMOLFJZSA-N 410.474 0.966 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(=O)n3O)[C@H]2C1 1785632467 LFNFSAZODQLADF-NXNVCVFFSA-N 419.478 0.252 30 20 HCED Cn1cnc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)COc4ccccc4C#N)C[C@@H]32)n1 1785877556 QTARSKOJTPNZSB-BQFCYCMXSA-N 424.461 0.359 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 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0.346 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cc(C)no3)C2)C1 1837393562 VKURUQPVMXFUOX-LAUBAEHRSA-N 421.494 0.555 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)S)C2)C1 1837679336 HWDKSVGBFDIJMD-HBUWYVDXSA-N 401.529 0.066 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4CC(=O)C4)C3)C2)cc1 1839364043 JBGXVGVQPWQSIZ-JOCHJYFZSA-N 411.458 0.802 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(OC)c(OC)c1O)CCO2 1839377169 OJYLNQGEUVSCDC-HXUWFJFHSA-N 404.419 0.113 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc3ccoc3c1)CCO2 1839536931 HGVFDQOBKAMUPG-OAQYLSRUSA-N 412.398 0.591 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4c5c(nn4C)CCC5)CCO3)C2)C1 1839581928 XLHLCXFYWPOUKQ-JOCHJYFZSA-N 414.506 0.945 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)c1 1839722315 MOVRIASCOKHJRN-JOCHJYFZSA-N 423.473 0.903 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)C34CCC(C(=O)OC)(CC3)CC4)C2)C1 1839808735 YUCAISXIHHPAEC-LZBANZJXSA-N 418.490 0.590 30 20 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N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCCNC2=O)CC1 45666699 RAMCRZJNDZCMQQ-OAHLLOKOSA-N 405.480 0.243 30 20 HCED N#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 110930865 YGIQULKJPGNASN-UHFFFAOYSA-N 407.315 0.457 30 20 HCED CC/N=C(/NCC)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 305767699 ICNGCNNWBFSTOL-UHFFFAOYSA-N 406.530 0.366 30 20 HCED C[C@H]1CN(CCOC2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)C[C@@H](C)O1 409482229 DKFQVVHTYCLCAY-YESZJQIVSA-N 402.561 0.913 30 20 HCED CCc1nc(CN2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)cs1 409575978 LLLNLARYKOJOBY-UHFFFAOYSA-N 401.558 0.930 30 20 HCED Cc1nsc(N2CCN(C(=O)CN(C)C(=O)[C@@H](C)n3cccn3)CC2)c1C#N 427590623 CDSSSICTFVXHHV-CQSZACIVSA-N 401.496 0.888 30 20 HCED CS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)cc1F 433427995 RJXZKWORCDPTCF-UHFFFAOYSA-N 404.489 0.711 30 20 HCED N#Cc1ccnc(N2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)c1 437249005 SIXNJZPPBNTZRF-UHFFFAOYSA-N 413.419 0.214 30 20 HCED N#CCCn1ccc(NC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)n1 438316572 WPSGFGSTUDHLTO-UHFFFAOYSA-N 407.478 1.536 30 20 HCED N#Cc1cccc(NC(=O)CN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 439268555 CCLXKHSJIQMPIT-UHFFFAOYSA-N 419.429 0.947 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)C1=O 440255879 NRMLUAXFDPFPSB-INIZCTEOSA-N 401.467 0.410 30 20 HCED C=CCN(CCNS(=O)(=O)c1cnn(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 441319137 UQXWRPMASHHZKF-HNNXBMFYSA-N 416.511 0.923 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N(C)C[C@H](O)CO)c2)c1 441766411 WWMCVEWDWSSEDS-IBGZPJMESA-N 410.426 0.623 30 20 HCED N#Cc1c(Cl)cccc1S(=O)(=O)NCCS(=O)(=O)N1CCSCC1 443066166 JEVCXRGBGGNRMU-UHFFFAOYSA-N 409.942 0.869 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 460686835 VAHKWKQHMDWAKZ-QAPCUYQASA-N 418.457 1.494 30 20 HCED CCN(CCCNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)S(C)(=O)=O 464950494 KEKIJFOTKMMTBD-CQSZACIVSA-N 409.516 0.240 30 20 HCED CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465460002 RONNHBRFQISSKN-DOTOQJQBSA-N 420.539 0.980 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CC2)c1C#N 472212819 XJOQCTHAEYMNSO-UHFFFAOYSA-N 417.417 0.870 30 20 HCED CC(C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nn[nH]n1 475006914 BFDPXVDFSGDBMA-UHFFFAOYSA-N 403.468 0.524 30 20 HCED COC(=O)c1c(CC(=O)N(CCC#N)CCN2CCOCC2)[nH]c(C(C)=O)c1C 478231037 GUQJJHRJQKXEJY-UHFFFAOYSA-N 404.467 0.929 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)C1=O 479242162 JVHAIARCZOAYRY-UHFFFAOYSA-N 403.410 0.699 30 20 HCED C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 480931257 SKLDUMYIFMBNMN-UHFFFAOYSA-N 402.494 0.670 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)N1CCc2ccccc21 481528061 LKEIVDYYEVXBLO-AWEZNQCLSA-N 412.471 0.931 30 20 HCED Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1[N+](=O)[O-] 497999320 VNAKJSRMMBCHEK-UHFFFAOYSA-N 418.435 0.655 30 20 HCED C=CCN1CC[C@H](N2CCN([C@@H]3CCN(CC=C)C3=O)[C@H](c3cnn(C)c3)C2)C1=O 499616501 BBNCLCDCEIHYNL-ZCNNSNEGSA-N 412.538 0.653 30 20 HCED COCCc1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)n1 505273041 JBONSYSLUUPDMW-KRWDZBQOSA-N 424.461 0.731 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1C#N 506242019 ZIKWRFUXDUMQHC-LLVKDONJSA-N 419.912 0.526 30 20 HCED CC[C@H](C)NC(=O)CN1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512461678 FHHWRRSQGRFOPM-RBUKOAKNSA-N 406.575 0.211 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 517827249 VDIGRFCJAFYOAK-UHFFFAOYSA-N 406.508 0.839 30 20 HCED COc1ccnc(N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)n1 539169094 HDUOLWAHCMENSY-UHFFFAOYSA-N 412.454 0.596 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 539355345 UIMZZWXDSOROTO-UHFFFAOYSA-N 416.916 0.948 30 20 HCED CNC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 540551756 RWZFNIHGQOUXGP-IEBWSBKVSA-N 401.486 0.993 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 540788303 ALPXDQYWNCFIPI-UHFFFAOYSA-N 421.255 0.446 30 20 HCED Cn1c(Nc2cnc(N3CCOCC3)c(Br)c2)c(C#N)c(=O)n(C)c1=O 542138184 XOFUBNNLHFGWKG-UHFFFAOYSA-N 421.255 0.693 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC(F)F)cc2F)CC1 549714858 NLRQUICMROUSAH-UHFFFAOYSA-N 414.384 0.812 30 20 HCED COCCN1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1=O 549721393 FIAPOSYTVPJFNT-UHFFFAOYSA-N 414.340 0.713 30 20 HCED Cc1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1S(=O)(=O)NCC#N 549998249 VRBRNCPSYGAJCJ-UHFFFAOYSA-N 416.463 0.524 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)Sc2ccccc2)CC1 554624440 QRMPRNQUTTVCBU-MRXNPFEDSA-N 404.536 0.730 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)[nH]c21 557474459 NZTUICIPBZSDCI-GFCCVEGCSA-N 409.406 0.241 30 20 HCED Cc1noc([C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCN2C)n1 565497175 LFWKPOGDMPHOSY-INIZCTEOSA-N 418.479 0.386 30 20 HCED COCCN(C)CCCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 573945267 WDDBFTUDSZJXNU-IBGZPJMESA-N 401.511 0.307 30 20 HCED CC(C)OCCN1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 575961063 JFUYAKRKWUJSOA-UHFFFAOYSA-N 408.524 0.842 30 20 HCED CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H]1c1ccnn1C 578581685 OWOUEXJGRLSHPV-OXQOHEQNSA-N 422.493 0.880 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1 579530755 GJTQWZCZQKLAIE-INIZCTEOSA-N 404.492 0.601 30 20 HCED CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 583896840 QEQUCAHMVNWXDP-WBVDLGDASA-N 417.535 0.798 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCc3c[nH]nc3C2)CC1 588251661 ALVBTUQXOXAMAA-AWEZNQCLSA-N 409.450 0.469 30 20 HCED Cc1ccc(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1S(=O)(=O)N(C)C 589427942 SHHVMCXZIKIQEG-UHFFFAOYSA-N 418.479 1.241 30 20 HCED CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589492841 FJSWCKMCLSZHMZ-QGZVFWFLSA-N 416.459 0.522 30 20 HCED COCCN(CCC#N)C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 609136604 FVOVMEBVUSQBHP-UHFFFAOYSA-N 408.524 0.836 30 20 HCED N#CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 609432796 DIHHQMQAMNVBAU-UHFFFAOYSA-N 421.479 0.727 30 20 HCED Cn1cc(N2CC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)cn1 609788634 LCQKCJRIGPQNMT-INIZCTEOSA-N 401.448 0.128 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CCN(S(=O)(=O)C3CC3)CC1)CC2 611138454 YSAHFXDSNQIOME-UHFFFAOYSA-N 402.476 0.520 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN([C@@H]3CCOC3)CC2)CC1 611431438 IPZKLSRPJQYMEA-MSOLQXFVSA-N 403.552 0.863 30 20 HCED COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[C@](F)(C#N)C1 615629398 KPDGNKSNERZDLO-IBGZPJMESA-N 404.398 0.570 30 20 HCED CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 619763525 ZTTWLCLGXQLHFI-XUJLQICISA-N 405.480 0.433 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)CC(F)(F)C2)cc1 682605244 ZEUGSDNCOPWYIQ-CYBMUJFWSA-N 417.434 0.660 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 726682557 RZPNRCCSIGPDPM-HIFRSBDPSA-N 403.435 0.987 30 20 HCED N#CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 731239935 WRQNFDPVMONYQI-UHFFFAOYSA-N 423.447 0.041 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 732416299 PFNRTVNGHZOIAN-MSUUIHNZSA-N 419.463 0.874 30 20 HCED Cc1cccc([C@@H](CC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)NC(N)=O)c1 732910790 SDNODZXUNMFGQC-HUUCEWRRSA-N 406.464 0.060 30 20 HCED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)N1CCS(=O)(=O)CC1 732911053 XOZBPQSZNASUID-CHWSQXEVSA-N 407.423 0.144 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)C1=O 733230363 NKVIETPQCIZEQA-AWEZNQCLSA-N 414.418 0.969 30 20 HCED CN(C)CCn1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1=O 756067949 QQKLBLAANZOOND-UHFFFAOYSA-N 403.464 0.087 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 757580204 UMRDZCJODBPDHS-AHIOURIWSA-N 403.439 0.778 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cc(C#N)cs2)c1=O 758051523 WSADQMBXLATFDS-LBPRGKRZSA-N 412.496 0.130 30 20 HCED N#Cc1cccn(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1=O 758183420 WXXYUIVHCAWWPB-UHFFFAOYSA-N 403.420 0.592 30 20 HCED CCN(CCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(C)(=O)=O 758386333 CENSUSKXMWELKF-ZIAGYGMSSA-N 417.532 0.716 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(O)CC2)c1 760118528 KIADAZDJZBWDAY-LTGZKZEYSA-N 422.507 0.811 30 20 HCED C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)S(=O)(=O)C1CCOCC1 765786035 ZEFWTQZHHHZLTC-ZIAGYGMSSA-N 415.512 0.940 30 20 HCED NC(=NOCc1nnnn1CC1CCOCC1)c1ccc(CN2CCOCC2)cc1 766113324 KTWDNJJJXDDDTQ-UHFFFAOYSA-N 415.498 0.769 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(N2CCOCC2)nc1 766990385 LKHPXQJBBKKSRG-UHFFFAOYSA-N 402.432 0.917 30 20 HCED C#CCC(C)(C)C(=O)OCC(=O)N1CCN(C(=O)COC(=O)C(C)(C)CC#C)CC1 767651727 YCTKSWXOOSILKT-UHFFFAOYSA-N 418.490 0.843 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)NS(=O)(=O)CC2(C#N)CCC2)c1=O 771070880 HUOFFYXJWXUFSF-UHFFFAOYSA-N 404.448 0.323 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@@]3(CCc4cc(Cl)ccc43)C2=O)CC1 771871991 TUXCAEVIMQWPRW-HXUWFJFHSA-N 400.866 0.811 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 776474893 JKQOWCWKMHLUOL-UHFFFAOYSA-N 418.860 0.957 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)NS(=O)(=O)c1cccc(F)c1C#N 781598990 GPPJTWCMGYWJOM-UHFFFAOYSA-N 414.415 0.143 30 20 HCED CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cn2)cc1OC 782131347 YHDFKORMMJRGNU-UHFFFAOYSA-N 417.447 0.978 30 20 HCED C=CCS(=O)(=O)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 782628728 ZVPCWNHMKNMFFN-UHFFFAOYSA-N 417.509 0.079 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cn3ccsc3n2)n1 785585588 VTCVTCZFJUQGFU-UHFFFAOYSA-N 400.464 0.517 30 20 HCED C[C@H](OC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)NC1(C#N)CCC1 787689333 XTHPVPZDFVTDDC-LBPRGKRZSA-N 407.448 0.489 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787776326 FHUGCACJILPFRY-UHFFFAOYSA-N 402.455 0.561 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1F 788115692 WTWGJSLSBXJILE-UHFFFAOYSA-N 420.470 0.610 30 20 HCED C#CCN(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 792305916 LYIQVGZVYKWAHY-UHFFFAOYSA-N 409.508 0.998 30 20 HCED C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C2=O 793200607 CTYKFZJBUSJARX-XIKOKIGWSA-N 410.496 0.873 30 20 HCED Cn1ncc(I)c1C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 796607817 RIQGZZWQJQLZKF-CYBMUJFWSA-N 402.192 0.990 30 20 HCED CCOC(=O)C(C)(C)C(=O)COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 798564624 JGAGKIAVQSKRQL-UHFFFAOYSA-N 410.448 0.817 30 20 HCED C=CCN1CC[C@@H](OC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 798633044 QFCJRCDOVYLKAD-IAGOWNOFSA-N 412.446 0.866 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 800079499 UYHCMIHJFZTPER-UHFFFAOYSA-N 417.509 0.344 30 20 HCED CCCCN(C(=O)CN1CCN(c2ccc(C#N)nc2)CC1)[C@H]1CCS(=O)(=O)C1 801553050 YQRHNWLXIQQMPR-IBGZPJMESA-N 419.551 0.891 30 20 HCED N#CC1(OCCOC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCOCC1 809082740 BFJYUZGBWVBUEI-UHFFFAOYSA-N 403.347 0.823 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 810350938 ATJNMAPNMVKYNZ-UHFFFAOYSA-N 411.459 0.367 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1COc2ccccc2[C@H]1O 811571100 FHVQZFPRBVVYSE-RDTXWAMCSA-N 401.444 0.726 30 20 HCED CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274825 BBOKATNEWJUBNO-UHFFFAOYSA-N 409.462 0.876 30 20 HCED CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 815373458 YMISSZCVJJWSQE-UHFFFAOYSA-N 408.418 0.959 30 20 HCED CCc1ccc(C#CC(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 815646689 PFZNVPFPASLENY-LJQANCHMSA-N 417.531 0.048 30 20 HCED COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)C2 815814794 XBBGUSASZNFIDQ-UHFFFAOYSA-N 402.386 0.489 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@@H](C)CC)c1 815860697 XBOSDFFIXIOFIQ-HNNXBMFYSA-N 408.524 0.773 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC)c(OC)c2OC)c1=O 916199206 LKEVLWXVFCMCSK-UHFFFAOYSA-N 401.444 0.609 30 20 HCED CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 916924978 DQXNAHBEXFHMLI-ZDUSSCGKSA-N 421.413 0.992 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cc1nnn(C(C)(C)C)n1 1002955611 FKZAPJOJULXVCH-SUJAAXHWSA-N 402.499 0.810 30 20 HCED CCN(CCC#N)C(=O)CN1CCO[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1108083392 COBBGEQJMIJDHU-VYUOOHEOSA-N 404.511 0.379 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(F)cc1C#N 1184534493 PHLMEYITWICOLQ-CQSZACIVSA-N 417.484 0.320 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H](C)c2ncn(C)n2)C1=O 1324270083 VIMBAUOPJAKSPZ-MFKMUULPSA-N 415.479 0.743 30 20 HCED C#CCOCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1341255349 DQFJKLRNCBNQGM-UHFFFAOYSA-N 415.462 0.379 30 20 HCED C=C[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1342730085 UGGDFMURUWFVSL-OCCSQVGLSA-N 417.509 0.475 30 20 HCED CC(C)(O)CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359602170 XDDLCDDUXBGZHJ-MRXNPFEDSA-N 401.515 0.738 30 20 HCED COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCO1 1504723707 YEMWTFLPDVEVPP-WIYYLYMNSA-N 412.494 0.735 30 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N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ncc(Cl)cn4)CCO3)C2)CCC1 1833792056 KSQZNWCCUVBHSR-LJQANCHMSA-N 419.869 0.894 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)C(F)(F)C(F)(F)C(=O)O)CC2)CC1 1834396327 SWRQSEJUGYQIQV-UHFFFAOYSA-N 422.379 0.827 30 20 HCED Cn1cnc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C#N)cc4)C3)C2)c1 1834447980 ZBYAFTKSRWMNFO-OAQYLSRUSA-N 409.446 0.676 30 20 HCED Cn1ncc(C(=O)N2CCOC[C@]3(CN(C(=O)CC#N)CCO3)C2)c1C(F)(F)F 1834756216 OQJURWPFXFAQRY-INIZCTEOSA-N 415.372 0.423 30 20 HCED CC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=N/N3CCCCC3)C2)C1 1835458428 UCOPVDQRKYZJLC-NIQDBXHUSA-N 402.442 0.570 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@@H](NC)C(=O)O)CCO2)C1 1835761959 YJTQHVHNHANRNX-LZJOCLMNSA-N 423.510 0.274 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](COC)NC(C)=O)CC2)CC1 1835844284 QHQHYHVWMNTDDW-OXQOHEQNSA-N 422.570 0.921 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](N)[C@@H](C)CC)C2)C1 1837396465 DEQIAKVYPNDNGY-IAGYGMIVSA-N 411.543 0.389 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c[nH]nc3C)C2)C1 1837401218 VWQXIAVJUZHEAR-JXFKEZNVSA-N 406.483 0.361 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1cncn1)CCO2 1837648134 CUVLUXPUCSRPKD-ZWOKBUDYSA-N 405.499 0.583 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cccnn2)CCO3)cc1 1837867941 LARYVBMDLMEJCH-QFIPXVFZSA-N 421.457 0.661 30 20 HCED C#CCCC(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 1838510404 UMEJZDPGFHMKML-UHFFFAOYSA-N 413.478 0.601 30 20 HCED Cn1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838906508 NDFXGYVVMWFAEK-OAQYLSRUSA-N 409.446 0.676 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)NC=O)CCO3)c1 1839164580 RLAPVWNUVLXLIW-IIBYNOLFSA-N 414.462 0.071 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc4nccn34)CCO2)C1 1839549352 BMABXSWDDQRBSV-NRFANRHFSA-N 411.462 0.954 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1)C(F)(F)F 1839894060 GUNNWKVWLGMCEP-WMLDXEAASA-N 407.433 0.902 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(F)c[nH]3)CCO2)C1 1840067119 VYVMRRRNWWLHHP-OXJNMPFZSA-N 409.458 0.797 30 20 HCED CCO/C=C/C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1840310319 XXXDUBYPHDUCES-AKRGLTEBSA-N 405.451 0.705 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc[nH]n4)C3)C2)c1 1840713341 BHYAFXBSDNCSKG-VFNWGFHPSA-N 424.461 0.816 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3ccnc(OC)c3)C2)C1 1840840520 VSMKPZIWSWNLMR-JOCHJYFZSA-N 415.490 0.893 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Nc3nccs3)C2)C1 1840841959 FHJXIZYBWYYCDU-HNAYVOBHSA-N 406.508 0.813 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cccc(NC(C)=O)n2)C1 1842163024 NCXZXVMISDIYTG-HJWRWDBZSA-N 411.462 0.715 30 20 HCED O=C(c1n[nH]cc1[N+](=O)[O-])N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301553 VHKRBJCXEPBNFT-FRSZACSASA-N 406.399 0.664 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@@H](C)[C@@H]1SC(=N)NC1=O)C2 1845253031 KCFNQEZZUIJKAP-XQQFMLRXSA-N 409.512 0.793 30 20 HCED C[C@H](S)C(=O)N1CCCC12CN(C(=O)c1ccc(-n3c(O)nnc3O)cc1)C2 1846369532 MUNMEVXEIUJDSP-NSHDSACASA-N 403.464 0.814 30 20 HCED C[C@H](C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(C#N)cc1)N1CCN(C)CC1 1847308406 RLIKBNYTKUORJH-QMMLZNLJSA-N 409.534 0.938 30 20 HCED COc1ccc(N/C(N)=N/CCS(=O)(=O)NC[C@@H]2CCCCO2)cc1OC 304761327 UHFFUFUCEIGTBF-AWEZNQCLSA-N 400.501 0.919 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)N2CCSCC2)n(C2CCC2)c1=O 430977049 JKKJENZHXXDGAZ-UHFFFAOYSA-N 415.544 0.447 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 434990764 KIXNSNCIMOAQTR-JSGCOSHPSA-N 424.479 0.509 30 20 HCED C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 438764918 HFUSZAVLSQFATE-OAHLLOKOSA-N 409.494 1.325 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)C1=O 440259981 XOZHUKSJEWJZCF-HNNXBMFYSA-N 400.435 0.764 30 20 HCED Cc1nn(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c(=O)c(C#N)c1C 440573124 DJDOFKMHBULUHG-UHFFFAOYSA-N 424.504 0.456 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CC(n3cc(C(N)=O)nn3)C2)ccc1OC(F)(F)F 443328376 JCAZNZLWDADGDK-UHFFFAOYSA-N 423.311 0.169 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](OCCN2CCCC2)C1 443865868 GIYFCFMKKRNVHA-WMZOPIPTSA-N 420.535 0.938 30 20 HCED COCCn1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n1 446189919 YUTVBDGPPSBGDP-UHFFFAOYSA-N 412.450 1.241 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N3CCOCC3)on2)c1 447438306 GKJQLKNBAMYYTO-DLBZAZTESA-N 416.459 0.441 30 20 HCED CC(C)(NS(C)(=O)=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 460760068 XBHNLSOTIZJMAY-UHFFFAOYSA-N 407.452 0.783 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CCCN1S(C)(=O)=O 462018253 UDEVZQMUOCUDDN-CQSZACIVSA-N 403.468 0.993 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 472102679 VLNLSSHABZCLDG-PXNSSMCTSA-N 409.490 0.632 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(COC)o2)c1=O 481589374 SFFSVSNDCLYVTD-UHFFFAOYSA-N 419.503 0.715 30 20 HCED N#Cc1ccncc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 485569579 GQTFJNIIJLQUNK-UHFFFAOYSA-N 412.431 0.682 30 20 HCED Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(CCC#N)CCN2CCOCC2)cc1 501423907 FKEKGIZRHLNPFJ-KRWDZBQOSA-N 408.524 0.736 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccc1 502048835 HDUSWWGPIFZHRF-UHFFFAOYSA-N 421.526 0.914 30 20 HCED C=CCNC(=O)CS(=O)(=O)c1nnc(N2CCOCC2)n1-c1ccccc1C 506965459 WGPKZOZLHREPCY-UHFFFAOYSA-N 405.480 0.488 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3COCCN3CC(F)(F)F)CC2)c1C#N 507824178 IZQHXHQFGPECQO-CQSZACIVSA-N 400.405 0.512 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1 509412605 AKZAUCFEZOTKAX-CQSZACIVSA-N 404.496 0.932 30 20 HCED CC[C@H](NC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)C(=O)N1CCOCC1 514018237 QHEHAPXNCQOJIY-WDUKFBBWSA-N 411.462 0.679 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C)c2=O)c1 515688216 XFLAGAYNDGGJHT-UHFFFAOYSA-N 415.515 0.747 30 20 HCED N#CC1(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCC1 525877728 BHPQLDZJJXITNU-UHFFFAOYSA-N 424.435 0.557 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 540348994 ILUFIDXQFXODNS-FQEVSTJZSA-N 412.538 0.600 30 20 HCED COC(=O)c1cc(C)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 552924108 AULHILPYLCJYBD-UHFFFAOYSA-N 401.448 0.954 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)CC1 555847314 JCYMIVBPMXEKLJ-UHFFFAOYSA-N 416.445 0.880 30 20 HCED C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)CC(=O)N1CCOCC1 558456595 HSRZBKNPRRZDIL-UHFFFAOYSA-N 419.507 0.830 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 558994161 UHBOAWKDKDECFC-UHFFFAOYSA-N 418.502 0.844 30 20 HCED C=CCSCCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 572140466 KRUIGQRSYCFVFG-UHFFFAOYSA-N 411.549 0.696 30 20 HCED CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NC1CCN(CC#N)CC1 588127715 PWFKLIJGAOJICJ-UHFFFAOYSA-N 407.465 0.959 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCOC[C@H]3c3ccco3)C2=O)cc1 588869080 XEDWFFMTMSRILH-MSOLQXFVSA-N 422.441 0.968 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 589477768 IZZGDJUOUGEJTR-HNNXBMFYSA-N 400.451 0.935 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 590907493 PYNNEACPBCUMRO-AWEZNQCLSA-N 415.515 0.983 30 20 HCED CC(C)[C@@H](OC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 727009821 AITYKVQWWYZBNM-NVXWUHKLSA-N 421.475 0.159 30 20 HCED C=CCN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 731482665 JVBAAHRLKHKSQW-AWEZNQCLSA-N 412.512 0.338 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)CC1 733149891 WQQRTWAMYBZMSC-FQEVSTJZSA-N 410.518 0.965 30 20 HCED COCCN(CCC(=O)OC)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742672266 FALAMOHNXPRHDI-CYBMUJFWSA-N 411.480 0.542 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)nc3)c2=O)cn1 743728196 LZLSLWLOXMNVQO-UHFFFAOYSA-N 408.443 0.172 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(O)CCOCC1 743760037 NJZGMKIXFXUHAM-HNNXBMFYSA-N 409.508 0.942 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 745433446 IULPUOOZEAPIFC-IBGZPJMESA-N 423.491 0.760 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 746105816 IGQKKBBEPBDNRM-MRCUWXFGSA-N 408.462 0.895 30 20 HCED CN(C(=O)COC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)C1(C#N)CCCCC1 746944554 YTPIMFXVUGFRRW-UHFFFAOYSA-N 413.434 0.474 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 747741471 GWIHIYZDWVIVCV-UHFFFAOYSA-N 419.503 0.309 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CCO)C2CC2)c1 749747333 ZBBJAHSPWXAIAP-ZESIPNTPSA-N 422.507 0.715 30 20 HCED CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749774124 CNWQAYLNNSUVEF-NNLSSIJJSA-N 422.507 0.933 30 20 HCED CS(=O)(=O)CCN1CCC(NC(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 756176577 FRDUUPKCHNKQGU-UHFFFAOYSA-N 412.899 0.775 30 20 HCED CCOC(=O)c1cnn(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1C#N 758867972 MZBJPNBEIXJEMR-IBGZPJMESA-N 410.390 0.430 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 761025574 VQXWMRHEALFULO-CQSZACIVSA-N 415.313 0.061 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 761061686 ODVFLKLVDWDJTL-CYBMUJFWSA-N 401.427 0.997 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)CNS(=O)(=O)c2ccc(C(=O)O)cc2)c1 766872992 KCWUFYXWIOOTNM-UHFFFAOYSA-N 415.427 0.399 30 20 HCED CCOC(=O)[C@]1(CCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCC1=O 767256090 RSYDQBNZMILELM-IBGZPJMESA-N 422.459 0.961 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770659021 XVXAGWICUCLZEF-UHFFFAOYSA-N 424.438 0.241 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCO1 773785598 DXVWXBXQCZTXRP-SJORKVTESA-N 405.476 0.707 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776832523 RKMMBPIXHOKKKL-OAHLLOKOSA-N 423.514 0.542 30 20 HCED C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCCC#N 776974519 XMZHQZJQKPGBJL-FZKQIMNGSA-N 419.459 0.441 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3cccc(CN4C(=O)CNC4=O)c3)nc12 782652813 RWSSTPHPPFLNGX-UHFFFAOYSA-N 406.358 0.715 30 20 HCED Cc1c(Cl)cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 784161592 AXCHIPPFQBIQOL-GFCCVEGCSA-N 418.928 0.554 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CCC(=O)OC)C[C@H]1C 785217086 MVTHGZAMNBQQEG-CQSZACIVSA-N 405.426 0.872 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCCn2c(C)nc3ccccc32)n1 785495764 HRBLFCTXSKXNLW-UHFFFAOYSA-N 422.489 0.966 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 792872456 OCTFXSHUHDJOKP-HXUWFJFHSA-N 406.552 0.363 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2nnnn2Cc2ccccc2)c1 795326822 FAXPZLXVTNVDME-UHFFFAOYSA-N 412.431 0.615 30 20 HCED N#Cc1ncn(CCNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1 796142408 KYTSYETVBCEVHO-UHFFFAOYSA-N 401.202 0.799 30 20 HCED C[C@H](OC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 798796843 GXEBBPJNIBQXTL-XJKSGUPXSA-N 416.459 0.935 30 20 HCED C#CCC[C@@H](O)CNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 799072331 HSAPSEGCEUZATH-CQSZACIVSA-N 406.508 0.917 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 807337543 RPEMQRHXAOZGIP-LJQANCHMSA-N 409.490 0.905 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(C)(C)C 807534032 KEVSETFASIFNKA-QGZVFWFLSA-N 420.535 0.725 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C(=O)OC)C(C)C)c1 811066236 SUMDPHJJWPVNOZ-INIZCTEOSA-N 410.448 0.069 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1CCOC 838166357 QICYFAGHTSTNLP-UHFFFAOYSA-N 416.459 0.494 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C(=O)C2CC2)CC1 880112215 KSTPDIVDCGHKMD-UHFFFAOYSA-N 404.492 0.632 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2cc[nH]n2)c1 918269675 GSDATXOZGIUBID-PXLXIMEGSA-N 404.452 0.477 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](n2cncn2)C(F)(F)F)cc1 1151543654 BKTFZDBWIXIQCT-ZDUSSCGKSA-N 401.370 0.984 30 20 HCED C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1288518202 IOYXNRPSCQFURW-CVEARBPZSA-N 402.547 0.994 30 20 HCED C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301966565 VWHLNFHAPILYQE-KGLIPLIRSA-N 404.500 0.612 30 20 HCED N#CC1(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CCOCC1 1305274516 JZRKPIGORMBPEY-KRWDZBQOSA-N 411.462 0.973 30 20 HCED CN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1314639717 YWDRNARHXJDHOX-GOSISDBHSA-N 410.417 0.451 30 20 HCED CCN(CC)S(=O)(=O)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1323309183 OFQRHISQVZAEST-LLVKDONJSA-N 402.498 0.207 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N1CCOCC1 1360203987 XOVREDNAWOAMNP-UHFFFAOYSA-N 417.514 0.795 30 20 HCED COc1ccc2c(c1)OC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1447321348 MYCXGVGTHUNBIJ-OAHLLOKOSA-N 401.444 0.965 30 20 HCED CNC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1464528393 PAGYRGPUDCVJRK-LBPRGKRZSA-N 401.370 0.936 30 20 HCED CN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1516969616 QGRVJJFDMIFPRH-LLVKDONJSA-N 408.260 0.853 30 20 HCED 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N#Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1770740256 MXTVGBAAZIQJPH-SFHVURJKSA-N 403.464 0.203 30 20 HCED COCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770982602 YTRBZEGJCIQETK-JXFKEZNVSA-N 412.498 0.699 30 20 HCED COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1=O 1771136561 TXJSBWBFCWDHNO-UHFFFAOYSA-N 411.466 0.200 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1779100598 DMEBDJMOSDOQEP-VEBPXIEJSA-N 405.455 0.242 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cnc(O)nc1O)CCO2 1779136261 JBRBOPBOQUSFJC-HBRDKIMXSA-N 415.406 0.043 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)n[nH]1)C2 1779332980 RUTGTIBZMMIDEI-STXHMFSFSA-N 406.483 0.816 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(F)nc3C)C2)C1 1779820844 JBAPEOUQTCGRJT-NGXITPROSA-N 416.453 0.831 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccnnc2O)C1 1779964655 ZWFCCILGOSUMRF-AKCHCHLHSA-N 402.451 0.348 30 20 HCED 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0.492 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(OCF)cn3)C[C@@H]21 1784478768 IWICKFMIHHVYRF-JKQORVJESA-N 420.441 0.414 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](OC(C)=O)C(C)C)C[C@@H]21 1784485551 PUWGAHUGLFSHPG-RFZNHBKKSA-N 408.495 0.592 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ncccn3)C[C@@H]21 1784490111 VSTQRMBRHWSFAX-BZSNNMDCSA-N 402.495 0.982 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CN4C(=O)CSC4=S)C3)C2)CCC1 1785546196 IHDPHEDVSBNWOJ-GOSISDBHSA-N 422.532 0.370 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1785574169 AEFIWCVRYZJVAQ-HRAATJIYSA-N 423.510 0.769 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nccnc3C(N)=O)[C@H]2C1 1789093966 FXBNYSIXMYEXNI-JYJNAYRXSA-N 413.478 0.362 30 20 HCED COCCOCCOCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)S)C[C@@H]21 1791135938 HZDWJIIRIDBWTQ-QZWWFDLISA-N 418.556 0.354 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3CCCCC3=O)[C@H]2C1 1791181494 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CCOC(=O)N[C@H](O)C(=O)NC[C@@H]1CCN(C(=O)[C@H](C)S)[C@@H]1c1cccnc1 1810095506 QTGISADAISSUOP-YYWXWVFPSA-N 410.496 0.470 30 20 HCED CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)C/N=C/c2ccco2)[C@@H]1c1cccnc1 1810389359 WWZOKNRQSIRYMZ-MDVBVJDWSA-N 411.462 0.936 30 20 HCED Cn1nc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c2c1CCC2 1812878615 ZVHNMRMJFYJKCB-VFNWGFHPSA-N 421.457 0.711 30 20 HCED CCOC(=O)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1814173402 KEQBERYUZLUOMZ-QAPCUYQASA-N 415.446 0.765 30 20 HCED C=CCOCCCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCNC3=N)sc2C1 1814916317 RRWKTUOTWUMFET-CYBMUJFWSA-N 420.539 0.878 30 20 HCED N[C@H](CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)c1cccnc1 1815182905 SDTYPSDLDLNFRV-QWHCGFSZSA-N 413.459 0.628 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)n2)n[nH]1 1818028626 NIQNGZTZEALJEH-RISCZKNCSA-N 414.422 0.955 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CC2 1819710086 PBHHDUKGVZYAKE-COPLHBTASA-N 423.539 0.221 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C#CC(=O)O)CC2 1819835843 KMIXAYQRBXUQKD-GHMZBOCLSA-N 414.447 0.434 30 20 HCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C(C)(C)C#N)CC2 1820184792 WEZBVKUQEIYZDT-DGCLKSJQSA-N 407.496 0.756 30 20 HCED NC(=O)c1ccc(C(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cc1 1825674760 OMYDSPRMIJFCSY-LBPRGKRZSA-N 412.427 0.556 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828965959 WQURPOHGFBWKRY-YFVAEKQCSA-N 421.538 0.295 30 20 HCED N#CC1(C(=O)N2CCC([C@@H]3CCCCN3C(=O)[C@H](O)N3CCOCC3)CC2)CCC1 1828971773 HQGNYJNXFFTTNW-OALUTQOASA-N 418.538 0.951 30 20 HCED COc1ccccc1OCC(=O)N1CCO[C@]2(COCCN(C(=O)CCC#N)C2)C1 1830227161 IQEMJFARYBNMPK-NRFANRHFSA-N 417.462 0.834 30 20 HCED COC(OC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1831035448 LJSFCVPNGUFQJF-FQEVSTJZSA-N 403.435 0.247 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnc(C)n3)C2)C1 1831427836 WCGQSUXHPZXSJE-FOIQADDNSA-N 404.467 0.446 30 20 HCED CC(C)NCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831487123 LEIMIUGAMYXCEY-HKUYNNGSSA-N 401.573 0.785 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831967611 KZYPOEOAZXALDD-PIGZYNQJSA-N 401.435 0.748 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cn1ccc3sccc3c1=O)CCO2 1832896305 OQNXCZHZMMBJHL-FQEVSTJZSA-N 415.471 0.153 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3cc(C)n(C)n3)CC2)CC1 1833463479 MJWDDLSAOBQCPO-QGZVFWFLSA-N 415.538 0.952 30 20 HCED CCc1[nH]nc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](C)S)C3)C2)c1F 1833740169 ZSIMXOGGOPAOHE-GTNSWQLSSA-N 400.476 0.500 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(C(C)=O)[nH]n1)CCO2 1833828005 XWVRXZHIZRCDHJ-NRFANRHFSA-N 416.478 0.876 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)cc4nn[nH]c34)C2)C1 1834763704 SKADEPZTUCHPEM-SFHVURJKSA-N 418.841 0.595 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc4n(n3)CCCO4)C2)C1 1835356683 GAACLHPCOOGNNC-LJQANCHMSA-N 403.439 0.039 30 20 HCED O=C(/C=N/N1CCCCC1)NC1CCN(C2CCN(C(=O)C3CC(O)C3)CC2)CC1 1835729496 HNYLGCCIHNTUCA-XQNSMLJCSA-N 419.570 0.801 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836184840 QBVJTHCUDKWZJI-UTKZUKDTSA-N 401.463 0.119 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)c3cnnn3C)CC2)CC1 1836858698 XHJLFDBJXJXREU-HNNXBMFYSA-N 403.483 0.466 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3CCOCC3)C2)C1 1837397583 QRDFANLXEGPGAX-GCJKJVERSA-N 424.538 0.833 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCC(OC2CCN(C(=O)Cn3ccnn3)CC2)CC1 1837980424 QOSBOQJWFVOQEV-GOSISDBHSA-N 419.526 0.850 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(O)no2)CCO3)cc1 1838107971 LWACNJPATFMYJU-HXUWFJFHSA-N 412.402 0.636 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCS4)C3)C2)c1 1838742204 XLPZHIITJCRSCO-VQIMIIECSA-N 404.492 0.852 30 20 HCED N#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838794141 DTYVFQAXQORFFT-OAQYLSRUSA-N 424.461 0.641 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1838905372 CHKSRURNPLTLQV-RXVVDRJESA-N 401.463 0.645 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3nnc(C)o3)C2)C1 1839225105 XVXFTJXQTCRJPN-IFXJQAMLSA-N 423.470 0.178 30 20 HCED N#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccccc1C(N)=O)CCO2 1839350460 YWNCZKKKUYEZSE-FQEVSTJZSA-N 400.435 0.159 30 20 HCED C=C1CC(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc5nn[nH]c5c4)CCO3)C2)C1 1839627849 AQJDQCSNHCAIRH-NRFANRHFSA-N 411.462 0.994 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1C[C@@H]1F)CCO2 1839771945 IYJQNSUWMZHWOK-XGHQBKJUSA-N 417.437 0.751 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(OCCCO)cc3)C2)C1 1839808797 BGCURBNJIGVYEW-NRFANRHFSA-N 402.447 0.151 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc(OC)cc3F)C2)C1 1839810783 RYXVWXSCUXLJFP-XYASWCNUSA-N 402.422 0.937 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC[S@](=O)CC)C2)C1 1839842207 OFUSTJDYHJZYEZ-QAZDYGKNSA-N 400.541 0.814 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nc[nH]c4[N+](=O)[O-])C3)C2)CCC1 1840813822 XMHRXQJCROWWRX-SFHVURJKSA-N 418.410 0.082 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)NC(=O)c1cnccn1)C2 1841609757 UMOYWRIWKWKGOF-GJZGRUSLSA-N 401.467 0.389 30 20 HCED O=C(NCCC(=O)N1CC2(CCCN2C(=O)/C=N/N2CCCCC2)C1)c1ccc[nH]1 1844258202 BPVLLSHCGSXVFJ-ZVHZXABRSA-N 414.510 0.810 30 20 HCED O=C(Nc1cccnc1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844301626 YOJCYJMNTHERKZ-QQZPLFJDSA-N 415.450 0.753 30 20 HCED N#Cc1ccc(CCC(=O)N2CC3(CCCN3C(=O)c3nccnc3C(N)=O)C2)cc1 1844594562 JAZBDAIBKQJFQG-UHFFFAOYSA-N 418.457 0.897 30 20 HCED CS(=O)(=O)c1ccc(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cc1F 1846197261 MREYQRGLZMDDOR-UHFFFAOYSA-N 408.407 0.134 30 20 HCED CCn1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 28173070 ZIIFWCBHTPVVSE-UHFFFAOYSA-N 420.520 0.795 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)c1 31747555 VHMCCPJJTIXMJO-UHFFFAOYSA-N 423.516 0.989 30 20 HCED C[C@@H](NS(C)(=O)=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 47830180 QMMZVNLPOUCMBN-LLVKDONJSA-N 408.459 0.452 30 20 HCED Cn1c(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 57141619 RTYXREVKZPYPSH-UHFFFAOYSA-N 401.854 0.962 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(C(=O)N=c2cc[nH]cc2)cc1 409569666 HVMFEGQXNPZSBT-UHFFFAOYSA-N 417.491 0.952 30 20 HCED CC[C@@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 427894185 LGHATMPBCMQNIA-OAHLLOKOSA-N 414.441 1.049 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC3(CC2)CCS(=O)(=O)CC3)CC1 428687301 DNELVMUIEVRGLD-GOSISDBHSA-N 410.584 0.970 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 439553661 YLFPAWARKWBMFV-HNNXBMFYSA-N 401.467 0.830 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)C1=O 440258278 HVMHLPJCILLDDM-AWEZNQCLSA-N 400.414 0.899 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 442132746 UMDOWTKPDGTERS-XTZNXHDOSA-N 421.360 0.593 30 20 HCED CCS(=O)(=O)NCCCNS(=O)(=O)c1cc(Br)cc(C#N)c1 443481844 GVIPJNXTPFCAAJ-UHFFFAOYSA-N 410.315 0.928 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)n1 444506233 HIZUYJJMMNFBJC-UHFFFAOYSA-N 400.483 1.376 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1C#N 461385458 YTVVEKKCDWHLRG-UHFFFAOYSA-N 406.467 0.907 30 20 HCED C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 467312583 GQVBSYFRKCLLAG-LLVKDONJSA-N 421.866 0.981 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)C[C@@]2(O)CCO[C@@H]2C)C1=O 468728125 JTZGOAIUCTULOM-VFNWGFHPSA-N 415.446 0.532 30 20 HCED C[C@H]1CN(CC(C)(C)O)CCN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 474202438 TZDQSZOHFUHZLY-HNNXBMFYSA-N 408.524 0.482 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccsc1 479368162 UVVIOHLUFAYRAU-UHFFFAOYSA-N 411.512 0.982 30 20 HCED C=CC[C@@H](CO)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 480696292 VAIAPXRARYXXBB-OAHLLOKOSA-N 418.537 0.479 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)C[C@@H](C)C2)CC1 481015460 PCXBRTCQFWAPGY-HDICACEKSA-N 421.586 0.306 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 481021688 WAAHASGLZXOQEH-WCQYABFASA-N 400.482 0.657 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 484112817 JZQTZSGEEWQXAM-SFHVURJKSA-N 420.535 0.530 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 484631292 YOPDLZOFCGRMLK-UHFFFAOYSA-N 405.451 0.524 30 20 HCED CC1CCN(C[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 487761800 XXCSKYRWRZYPSZ-NVXWUHKLSA-N 408.524 0.434 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cnc(C#N)nc3)CC2)cc1 488755019 ROZQONQJMZKSJL-UHFFFAOYSA-N 417.447 0.269 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H](CO)c2ccc(Br)c(F)c2)CCO1 490526214 GUOHKCJAACBYMN-GXFFZTMASA-N 408.249 0.680 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 492556415 FQGOAWZPPDRVTM-UHFFFAOYSA-N 401.383 0.854 30 20 HCED COC(=O)CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccs2)c1=O 501765579 MOFZJIIANFYTCD-UHFFFAOYSA-N 417.512 0.706 30 20 HCED N#CCCCCS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 503238761 VZAHSTMXQBDVNU-UHFFFAOYSA-N 415.493 0.444 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CS(=O)(=O)CCO3)C2=O)cc1 504411503 PMAGVKNJTPBTCA-HOTGVXAUSA-N 406.464 0.166 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 504747274 DFKCSTINZUORBP-AWEZNQCLSA-N 424.454 0.289 30 20 HCED C=CCOc1ccc(C(=O)N[C@H](C)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1OC 505963108 VOICJXPPNGKPRB-KGLIPLIRSA-N 410.492 0.929 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C 507428285 ZHSYUKGMEDZANF-ZDUSSCGKSA-N 420.495 0.283 30 20 HCED N#Cc1ncn(CCNC(=O)C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)n1 508368429 ZYHLSLZOJHCSEP-UHFFFAOYSA-N 415.841 0.794 30 20 HCED COC[C@@H](NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CC1 510849049 CKCJVZGSLGCRSE-OAHLLOKOSA-N 413.434 0.996 30 20 HCED CCOC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 511653937 PCEJMSQXPYGFSF-AEFFLSMTSA-N 408.476 0.948 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCC(=O)NC)cc1 511886182 RSOYYCGPNUQQEF-UHFFFAOYSA-N 410.496 0.416 30 20 HCED CCCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CC(=O)N(C)C1=O 513925427 HGIYFRONAZEZQX-OAHLLOKOSA-N 406.464 0.488 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 517424447 PDTVXOKTNOPNEA-UHFFFAOYSA-N 415.450 0.092 30 20 HCED C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 518443601 JLIIDTHPRVYIDS-HNNXBMFYSA-N 422.497 0.853 30 20 HCED CCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 532201739 LZXRVCDXZWHLOS-HIFRSBDPSA-N 413.521 0.651 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)n1 536973986 HRKTUBWPSJBTAE-UHFFFAOYSA-N 410.482 0.737 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)CC1 550789771 AOPDUFRWDRNVNY-OALUTQOASA-N 421.586 0.307 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N(C)CC(C)(C)C#N)cn2)C[C@H](C)O1 551847778 ZUWIXGDFXFTSAR-KBPBESRZSA-N 404.471 0.466 30 20 HCED CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1 556538564 GBKFGKANRRUBCT-INIZCTEOSA-N 422.445 0.991 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 557546132 UAMLGAYRMBQRFW-CQSZACIVSA-N 408.524 0.539 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 558007457 VLPGFMQYLSOKTN-UHFFFAOYSA-N 416.522 0.927 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NCCn3cnc(C#N)n3)CC2)cc1 563694075 YVSINVGVEZFSRD-UHFFFAOYSA-N 417.495 0.551 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 565683181 JUIAFWHIUPUZDS-QZTJIDSGSA-N 402.495 0.845 30 20 HCED C[C@@H](C[S@@](C)=O)NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 572108409 XCCROFMVZXLZJS-MLNJSSBLSA-N 413.503 0.638 30 20 HCED CN1[C@H]2CC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 578776900 SQBIJCDKOOBXKV-GBESFXJTSA-N 409.490 0.470 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cc1 609957268 JPUSGWKGMKROBZ-UHFFFAOYSA-N 416.459 0.426 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)c1cccc(C#N)c1 610357752 SPCBCFDEYVXWKD-INIZCTEOSA-N 420.539 0.439 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 610529157 NNJSBKBVVHWYQI-INIZCTEOSA-N 406.512 0.645 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cn2)c1 615403534 VRPNQBIDYRATEC-KRWDZBQOSA-N 423.429 0.784 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O 726042420 IKRHXBRUIHMGLD-NSHDSACASA-N 418.362 0.750 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCn2cc[nH]c(=O)c2=O)cc1 730097488 AZMMRDMJJINEHG-RCCKNPSSSA-N 419.463 0.378 30 20 HCED COc1cc(C=NNC(=S)NCC(N)=O)c([N+](=O)[O-])cc1OCC(F)(F)F 731927924 CIGFFPFAMSNOKC-UHFFFAOYSA-N 409.346 0.828 30 20 HCED CCN(CCC#N)C(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 738677784 MDOJKWIFHUGLPK-UHFFFAOYSA-N 412.424 0.521 30 20 HCED C#CCNC(=O)C1CCN(C(=O)/C(=C/c2cccc(OC)c2)n2nnnc2C)CC1 747736947 SKNNXELPRURKEX-RGEXLXHISA-N 408.462 0.976 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc(OCC)n2)c1=O 758049367 BIGNZYNIRDUGNS-UHFFFAOYSA-N 408.483 0.462 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCCO1 758096307 SXGUGZWQVRYPIZ-OAHLLOKOSA-N 415.519 0.240 30 20 HCED COCC(=O)NC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758756623 YRLUHJYIHVNSTF-UKRRQHHQSA-N 409.487 0.682 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc3onc(CC)c3c2)CC1 762536533 MCBRXHVAIXDDQS-UHFFFAOYSA-N 405.480 0.231 30 20 HCED N#Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)nc2)ccc1N1CCC(O)CC1 762746459 WFAOBRGMWQYMID-UHFFFAOYSA-N 401.448 0.814 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCOCC 763435516 PAIPFMXTDQIWHT-UHFFFAOYSA-N 402.520 0.704 30 20 HCED COCc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)o1 765145886 UFIHDCZIVQXJAF-UHFFFAOYSA-N 406.423 0.764 30 20 HCED CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1sc(C(C)(C)C)nc1C 771897951 LLNRMKJNKLQDDR-UHFFFAOYSA-N 413.525 0.849 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 773424236 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C#CCN1CCN(CN2C(=O)N[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)CC1 812282298 UEFGPIMXACPHAE-HXUWFJFHSA-N 405.499 0.516 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 813065935 LFIDQSHJLJASSK-NXVVXOECSA-N 410.496 0.656 30 20 HCED COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 815561883 RYIDZQXYKSJNPN-CMPLNLGQSA-N 420.426 0.020 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCS(=O)(=O)Cc1ccccc1 917117436 LIJKKEAXPNLFEC-UHFFFAOYSA-N 421.500 0.456 30 20 HCED CN1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 918288369 FPYSJWGSHFZESY-SILNSSARSA-N 407.496 0.212 30 20 HCED C[C@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)Nc1ccccc1C#N 920606045 OUGULESGNJQPCD-NSHDSACASA-N 409.402 0.631 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)NC(=O)C1(C)C 1006384751 SLBUIPIRCAHPRW-ZSAUSMIDSA-N 404.467 0.156 30 20 HCED N#Cc1ccc(N2CC[C@H](N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)C2=O)cc1 1169234131 QCVXNTRKGGRUKK-INIZCTEOSA-N 400.464 0.393 30 20 HCED C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1288642172 WUHYKTFVTZPJOL-WBVHZDCISA-N 423.525 0.773 30 20 HCED CC1(C)CN(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1289044534 QMICUAWZLKDHMJ-HXUWFJFHSA-N 419.505 0.953 30 20 HCED CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1294913815 RRKXVIHQEITMEW-UHFFFAOYSA-N 411.466 0.581 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1299322940 UNVOMRHUCMDCHN-CQSZACIVSA-N 420.495 0.503 30 20 HCED C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300824814 XXNAPJQUPJDFTC-LLVKDONJSA-N 420.333 0.948 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)n1 1323225343 MVSWANCNIZNTAW-UHFFFAOYSA-N 403.449 0.191 30 20 HCED Cc1nc(Cn2cc(C(=O)[C@@H](C#N)C(=O)NCc3ccc(F)cc3F)nn2)no1 1344413345 CIWDFBZQJPVOGJ-GFCCVEGCSA-N 401.333 0.935 30 20 HCED C[C@H](CC(=O)N1CCC[C@H](N2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1449807848 ZTVMARNXJRSOGZ-CVEARBPZSA-N 420.535 0.827 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCSC1 1541921883 YRGWZBWRYJHINH-MLGOLLRUSA-N 414.557 0.496 30 20 HCED Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCS2(=O)=O)cn1 1554333650 QQKVNMFCTPYXOU-HUUCEWRRSA-N 405.484 0.375 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1=O 1618483148 VKBBAEYPANBWEM-UHFFFAOYSA-N 406.450 0.789 30 20 HCED CCOC(=O)[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC12COC2 1644135954 RKWWSYREIZEBGV-CJNGLKHVSA-N 421.475 0.263 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1761238333 PEDMFPHRJCWQQL-INIZCTEOSA-N 423.477 0.479 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN2CCN(C)CC2)C1 1778852343 MDWLRRIPTFLYFB-NFBKMPQASA-N 418.582 0.941 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1779016842 QTCAFRCGYDFWAP-PIUNUONSSA-N 415.494 0.150 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1ccc(O)cn1)CCO2 1779062301 HVOBUXSNDNFBND-QFIPXVFZSA-N 413.474 0.929 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1779063360 VZFAFCDUSZLKTK-QFIPXVFZSA-N 414.458 0.782 30 20 HCED CC(C)(C)[C@H](O)C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779099088 PLGQIRCMFPZDDC-MEKXBXQXSA-N 411.499 0.752 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3nnc(-c4ccccc4)o3)C2)C1 1779117153 WMIGAADVEYFAJP-FQEVSTJZSA-N 410.386 0.268 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1779218648 AGJBWYHRIKFCCP-FRQCXROJSA-N 406.487 0.545 30 20 HCED C[C@H](CN)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779395368 SSSASXMGXSLODN-DBXWQHBBSA-N 405.539 0.794 30 20 HCED C[C@@H](NC=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC2(O)CCCCC2)C1 1779397283 SGICQGVWHMXUKM-DBXWQHBBSA-N 419.522 0.333 30 20 HCED CN(C)C(=O)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=N/O[C@H]2CCCCO2)C1 1779421291 HNHWRYDMIBCLCM-IWHDTAQISA-N 424.498 0.118 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc(OC)c3)C2)C1 1779555925 KNZLKBDAETXOAC-NYPGBQQYSA-N 414.462 0.392 30 20 HCED COc1cc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)ccn1 1779557715 RUGVLWPNXROKAI-OAQYLSRUSA-N 415.494 0.816 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C)nc3OC)C2)C1 1779737793 FIGHMPMOCADPLS-IERDGZPVSA-N 401.463 0.880 30 20 HCED Cc1c(C(=O)N2CC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cn2[nH]cnc(=O)c12 1780022406 SDBXDGMINXSFMZ-KZULUSFZSA-N 405.480 0.093 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c1 1780168928 WIRASFAOFKXKEG-FQEVSTJZSA-N 410.434 0.453 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1781271565 DWJSKXFCDCBMKY-IBGZPJMESA-N 408.451 0.279 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)C[C@H]1OCCc3ccccc31)CCO2 1783557265 DOVQNFZZTXVISL-GCJKJVERSA-N 412.442 0.608 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)CNC(=O)C(F)(F)F)C2)C1 1783982631 MYDWTKQRSGHXRY-SJKOYZFVSA-N 421.416 0.068 30 20 HCED C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCN3C(=O)Cc4ccccc4C3=O)[C@H]2C1 1784160853 IDFVNLWFASKSHI-WDSOQIARSA-N 423.469 0.215 30 20 HCED C=CCOCCCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NC(C)=O)C[C@@H]21 1784489502 STCPHHGNBAYUJN-BZSNNMDCSA-N 409.527 0.864 30 20 HCED CC(C)[C@@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)COc3ccc(O)nn3)C[C@@H]21 1784539054 IEEHBIHTTCAWPX-WZTLGTBRSA-N 424.523 0.495 30 20 HCED CN1CCN(CCC(=O)N2CCO[C@]3(CCN(C(=O)C4(C#N)CCC4)C3)C2)CC1 1785365684 OLHMNQHXPAWZFU-OAQYLSRUSA-N 403.527 0.148 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccccc3=O)[C@H]2C1)C(F)(F)F 1787018195 ORGVOXQCONPRDM-KKUMJFAQSA-N 413.396 0.947 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccnc(OC)c3F)[C@H]2C1 1787137080 FODQUGKHCGFYCI-OTRWWLKZSA-N 419.453 0.861 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ccccn4n3)[C@H]2C1 1787261960 WPKZCKJJDCUSJK-QAETUUGQSA-N 411.462 0.361 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21)c1ccncn1 1787566927 BYVXSBKLFWIKFJ-GMSDGEQASA-N 417.466 0.599 30 20 HCED 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CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 483590357 IYQYWAIELWYAHP-SWLSCSKDSA-N 414.509 0.918 30 20 HCED Cc1ccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1S(=O)(=O)NCC#N 484032835 JCYPCGLTLJHZEV-QGZVFWFLSA-N 420.535 0.981 30 20 HCED COC(=O)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 486438456 RCOOPLLYFIDPSB-UHFFFAOYSA-N 406.464 0.527 30 20 HCED Cc1nc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)ccc1C#N 487910528 LPKCJRFEUXVQNJ-UHFFFAOYSA-N 421.504 0.420 30 20 HCED CC1CCC(C#N)(N(C)C(=O)[C@H](C)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 489458348 QZYGFJYCFZOWAJ-YJTLQXIOSA-N 412.556 0.541 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1=O 500486520 OGKBBEUFBTWNHX-DLBZAZTESA-N 413.478 0.758 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCN3CCSCC3)C2=O)cc1 505516912 UYWHSEWASFECNH-INIZCTEOSA-N 401.492 0.928 30 20 HCED Cc1csc([C@H](C)CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 507730721 CYZKRSDPGZQOMF-GFCCVEGCSA-N 415.523 0.934 30 20 HCED CCOC(=O)c1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1C 508146634 CIZNGTJUBQILGU-UHFFFAOYSA-N 405.436 0.728 30 20 HCED C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508945079 IVZZAJGRXXIVJN-INIZCTEOSA-N 422.555 0.111 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N1CCN(CC(=O)Nc2nncs2)CC1 509692275 DNRWSLMRZJBHMB-UHFFFAOYSA-N 416.463 0.580 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCOC2)c1=O 512725189 KWNZGGBQYARIMW-AWEZNQCLSA-N 415.519 0.190 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1=O 522983669 WHNVTTUTAQALNJ-LBPRGKRZSA-N 423.223 0.069 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523179167 CUOOIUJLEZLSKU-UHFFFAOYSA-N 417.494 0.724 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 525875926 QAQGDTAZIOLADF-UHFFFAOYSA-N 414.466 0.717 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 539644839 GOESFLCZCUXHQC-UHFFFAOYSA-N 422.507 0.527 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 542451830 RGGOTUAKFRUABE-CABCVRRESA-N 421.475 0.558 30 20 HCED C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 549791187 DYDILGGBZWSTHN-CQSZACIVSA-N 418.479 0.609 30 20 HCED COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 550655093 PSNHPMRFOZULRT-UHFFFAOYSA-N 409.240 0.576 30 20 HCED C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 555274172 GHSXRYQBMCTKMT-KBPBESRZSA-N 417.557 0.226 30 20 HCED C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 569705386 LGFMCOFFMIODJR-KRWDZBQOSA-N 423.517 0.993 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 570997511 PCJGGMFJEFRGKT-INIZCTEOSA-N 402.499 0.107 30 20 HCED CN1CC[C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@H]2C1 572517812 JYWYOZZAIIUKKC-QYZOEREBSA-N 409.490 0.328 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cn1C 573846334 IVBOOWOQAGFUGH-UHFFFAOYSA-N 409.493 0.959 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2c3ccccc3C[C@H]2C)CC1 575344339 BDRZJMQSJDVCHP-QGZVFWFLSA-N 413.522 0.000 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1 588292280 WGLRURYAYWXGBB-QFWMXSHPSA-N 400.482 0.574 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588866322 NQURUBWZZUHZRN-WQIZZMQYSA-N 402.476 0.197 30 20 HCED C[C@H]1c2nncn2CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 588866583 MSKXWQOMMCGTLP-BBRMVZONSA-N 407.434 0.365 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCCC(=O)OC 590990345 LEUQOXUHMJLKOD-UHFFFAOYSA-N 419.528 0.954 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H]3CCCCCN3C(C)=O)CC2)C1=O 596920878 YNRILMJMADILHE-KRWDZBQOSA-N 418.494 0.993 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3c2OCCO3)c1=O 603986307 SBOQMVWBENDOME-UHFFFAOYSA-N 423.494 0.992 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609093805 ASNZPFGUJAWTEZ-FUHWJXTLSA-N 418.519 0.679 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 676748822 SDXZZXFSLUJAOI-GOSISDBHSA-N 412.471 0.570 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(Cl)ccc2OC)c1=O 725763082 DAUNUUPPBXOENY-UHFFFAOYSA-N 421.906 0.857 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)Cc2ccccc2C)C1=O 726043927 WCCCVVLMXMEATF-AWEZNQCLSA-N 401.419 0.862 30 20 HCED COc1ccc(-n2c(=C(C#N)C(=O)C(C)C)sc(=Cc3cnn(C)c3)c2=O)cn1 726961297 GQMJPVUKEUBWIH-UHFFFAOYSA-N 409.471 0.764 30 20 HCED CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccc(C#N)cc2)NC(=O)N[C@@H]1C 727010511 BNHYXTCICLEVCT-LLVKDONJSA-N 400.391 0.350 30 20 HCED Cn1cc(CN2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)cn1 729974509 IXCPZSRHSPZHRW-UHFFFAOYSA-N 416.507 0.193 30 20 HCED N#Cc1ccc([C@@H](OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(N)=O)cc1 734565580 FHHBAMHVQBQSCS-GOSISDBHSA-N 410.342 0.962 30 20 HCED N#C[C@@H](C(=O)c1csc(Nc2ccccn2)n1)C(=O)N1CCS(=O)(=O)CC1 737341011 FIQSDIQXWQDIAW-NSHDSACASA-N 405.461 0.861 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(CCc3cccnc3)c2=O)cn1 743727984 IKKMAYIKODRVNV-UHFFFAOYSA-N 406.471 0.417 30 20 HCED CCN(CC)CCO[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 746571187 UEDGVYHYWKNBBL-OAHLLOKOSA-N 408.524 0.684 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)s1 750396357 YOHGIFPUEOPSED-STQMWFEESA-N 412.489 0.971 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cn1C 750622291 WGSZUJMNINIPGN-LBPRGKRZSA-N 419.463 0.839 30 20 HCED C#CCOCCC(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 756302587 NLIQXBRBCNAGQD-HNNXBMFYSA-N 424.475 0.618 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756890047 AVMAUZBFWKYKOM-UONOGXRCSA-N 418.516 0.206 30 20 HCED NC(=O)c1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 757903811 OOHYIHHIXIZYQQ-UHFFFAOYSA-N 404.452 0.746 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([C@H]3C[C@H]3C)o2)c1=O 758069239 OBKHLDRRYDHVQB-HIFRSBDPSA-N 411.483 0.525 30 20 HCED COC(=O)COc1ccc(C(C)=NO[C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 759004031 NIRCTMQTTGKQCS-DZGCQCFKSA-N 412.464 0.671 30 20 HCED CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 763375159 WFSJFPGGDZRWSS-CQSZACIVSA-N 411.422 0.815 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 765298909 YBEMLYFQCJTGHC-UHFFFAOYSA-N 420.473 0.907 30 20 HCED COc1cccc([C@H](C#N)NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1OC 768151381 FOJNMFRJNITEQB-OZTIPCMYSA-N 413.430 0.936 30 20 HCED COCCCS(=O)(=O)NCC(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 770169045 UXXICGSONMIGBZ-UHFFFAOYSA-N 403.844 0.649 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nnc2ccccn12 775225843 RKUFERPCNXGFHU-UHFFFAOYSA-N 412.475 0.907 30 20 HCED C#C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)[C@H]1CCCO1 775325323 BTANZSCBFBHOEC-ZWKOTPCHSA-N 421.519 0.744 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cccc(C(=O)OC(C)(C)C)c2)c1=O 777946148 YLNLPLXTKWIMIE-UHFFFAOYSA-N 423.494 0.747 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2scnc2C2CC2)c1=O 782586011 HTGUQRRBSDOJEO-UHFFFAOYSA-N 418.544 0.919 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 786203422 XEIOTNXRYQNELI-LLVKDONJSA-N 401.441 0.013 30 20 HCED COCCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 800014293 WNQPBYCLMZVAGR-QGZVFWFLSA-N 423.539 0.585 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCCC4(C3)OCCO4)C2=O)cc1 808236343 BKRLYFVUFYAQBU-QGZVFWFLSA-N 412.446 0.141 30 20 HCED C#CCN(C)CCCNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 818602743 BISNIABIPRAWRY-UHFFFAOYSA-N 419.551 0.828 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CCOC[C@H]3CCCO3)CC2)o1 915539975 LAQCAAJHUISQMV-OAHLLOKOSA-N 406.439 0.632 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CCOC 916198189 FCNBRURORMCMGM-UHFFFAOYSA-N 423.441 0.100 30 20 HCED COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 917035007 PBEFYQCQAJVAIU-KRWDZBQOSA-N 407.492 0.734 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 917134377 RRKHENVJXWTGSR-HNNXBMFYSA-N 403.508 0.761 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cnn(C)c1 1157776498 VJZYBPYXTWDMET-HNNXBMFYSA-N 417.491 0.872 30 20 HCED CCC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)C1 1319152921 IJMQUGKRQLRPMQ-UONOGXRCSA-N 406.512 0.982 30 20 HCED C[C@@H](CC(=O)N1CCC(N2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1454249958 WUWSEUXRUQAWMT-HNNXBMFYSA-N 420.535 0.827 30 20 HCED CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1517610307 UUAAYWBMUBUQSQ-UHFFFAOYSA-N 406.454 0.455 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(CC(N)=O)CC3)CC2)cc1 1529087297 ZFNJGGRSOPRQCN-UHFFFAOYSA-N 404.492 0.731 30 20 HCED C[C@@H]1C[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1543710446 KAGFYJJYLPKNGD-WBOJAVRRSA-N 412.491 0.709 30 20 HCED N#Cc1cn(CCNC(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c(=O)nc1O 1563656861 XAISIVAHIQWOQX-KRWDZBQOSA-N 412.450 0.193 30 20 HCED CNS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1 1618846042 YBCHFAUIROMMJH-GOSISDBHSA-N 403.512 0.943 30 20 HCED CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CN1CCOCC1 1626309814 QFGAMAZHZMJHSH-UHFFFAOYSA-N 408.524 0.684 30 20 HCED N#Cc1cn(CCC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c(=O)nc1O 1629546751 PAURHCJCSDMULB-UHFFFAOYSA-N 413.409 0.724 30 20 HCED C[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)N1CCO 1643117648 WXPRUEVPINUSID-FGTMMUONSA-N 405.568 0.844 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1690994090 VQKXMLGMIAIQID-KGLIPLIRSA-N 415.589 0.533 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC 1727232165 PPNPCNDMUBDPMN-CQSZACIVSA-N 412.516 0.360 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCOCC1 1761217741 ZDYRBIIAUZHZSB-GOSISDBHSA-N 407.450 0.107 30 20 HCED CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1765634437 YDRUBAZTCVOCHU-UHFFFAOYSA-N 424.509 0.163 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3nc4ncccn4n3)C2)C1 1777830825 LDYDILWQVRDINI-AUUYWEPGSA-N 415.454 0.369 30 20 HCED 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COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)cn1 475606473 UMOZUQQNSWKAIG-UHFFFAOYSA-N 404.814 0.748 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2C)CC1 476179143 XFEKRTKFCOOSMK-UHFFFAOYSA-N 412.515 0.123 30 20 HCED N#CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCCCC1 476528477 ACQGMLGCVJGKLX-INIZCTEOSA-N 419.569 0.917 30 20 HCED CCO[C@@H]1C[C@@](O)(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1(C)C 476845640 CSSRPRKZWRMXCY-VQIMIIECSA-N 409.508 0.861 30 20 HCED CCN1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 480820171 JWXNSZMSFPXCSF-MRXNPFEDSA-N 407.540 0.369 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 499685876 VBQBBMDKUCDDDP-OAHLLOKOSA-N 411.553 0.663 30 20 HCED CN(CC(=O)N1CCN(Cc2ncc[nH]2)CC1)S(=O)(=O)c1ccc(C#N)cc1 499719319 FGJZIYWNFLRDNJ-UHFFFAOYSA-N 402.480 0.246 30 20 HCED C=CCn1c(COCC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 508810884 QNYKXTZPILAAOW-UHFFFAOYSA-N 414.514 0.954 30 20 HCED C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508923066 SRYSRGLWLDLPHB-KGLIPLIRSA-N 414.441 0.890 30 20 HCED Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1S(=O)(=O)NCC#N 524164585 IRLLGVTYSFUMQZ-UHFFFAOYSA-N 400.464 0.549 30 20 HCED CC(=O)N1CCc2c(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cccc21 527090135 BFMSZTOEIJBXII-UHFFFAOYSA-N 409.450 0.802 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 538255158 RYRFCRDDIJZTGI-GFCCVEGCSA-N 415.479 0.493 30 20 HCED Cc1cc(NC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)nn1CCC#N 539716516 OEHWTZLDBVSEIZ-MRXNPFEDSA-N 403.487 0.502 30 20 HCED CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCSC[C@H]2C#N)c1 540428822 DYQOIIANTPATBP-OAHLLOKOSA-N 424.548 0.914 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C)n(CCC#N)n3)CC2)cs1 547761508 LTMKYDFMKWEKRY-UHFFFAOYSA-N 423.524 1.409 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3C[C@H]4[C@H]([C@@H]3O)[C@@H]3C[C@H]4[C@H](O)[C@@H]32)c1 550114578 HVUFTCQCWBXLAV-LWIWOBKBSA-N 404.488 0.352 30 20 HCED C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)C1 550380754 VCJLLILCIZMJSW-DOTOQJQBSA-N 412.494 0.731 30 20 HCED CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 554134124 OBLZIXTVTRNXBI-WBVHZDCISA-N 412.494 0.365 30 20 HCED C=CCN1CCC(NC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 555875634 UFJRIAURZVVBCV-UHFFFAOYSA-N 414.506 0.542 30 20 HCED N#Cc1ccc(N2CC[C@H](C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)C2)c(F)c1 560987681 ISGXPFXBSADDOK-DLBZAZTESA-N 420.510 0.855 30 20 HCED CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 562117027 HERCYXHPZVYWBC-INIZCTEOSA-N 406.508 0.847 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 564497281 MTCAASMYHCYELG-QRTARXTBSA-N 407.492 0.803 30 20 HCED CN(C)C(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 572028633 HOZPKRZEYQLYSV-MRXNPFEDSA-N 412.450 0.589 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 573754715 BXIWIEAXECLHLO-SFHVURJKSA-N 403.479 0.963 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(OCC(F)(F)F)nc2)C1=O 580457098 FDEQIYGQBXLRLI-CYBMUJFWSA-N 414.384 0.884 30 20 HCED N#Cc1ccc2c(c1)CC[C@@H]2Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 588035778 XVFXHSCDHHMRBR-SWQDORGXSA-N 408.418 0.409 30 20 HCED Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC3CCN(CC#N)CC3)C2)n1 588122962 NRZBSLLZOJEXKF-INIZCTEOSA-N 412.494 0.671 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 588289052 OKHPGRFISCALDP-JTQLQIEISA-N 403.424 0.152 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C)cc1 603553013 ZOMXLAPBQXYILI-UHFFFAOYSA-N 423.498 0.207 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CC1 604168654 HJNXOBRTRQZWOJ-UHFFFAOYSA-N 403.406 0.216 30 20 HCED C[C@]1(C#N)CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 612366976 JNIIQHQHUUHZEC-DHSIGJKJSA-N 422.463 0.871 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 725907919 RYQTVRYYLWWESH-SFHVURJKSA-N 420.535 0.271 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](CC)C(=O)Nc2ccc(OC)cc2)C1=O 726042390 BNOSKNDCYYCZHP-CQSZACIVSA-N 403.391 0.932 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(OC)cc2OC)C1=O 726044015 YLHNNLUITNRFSZ-UHFFFAOYSA-N 405.363 0.162 30 20 HCED COC(=O)c1coc(C(=O)COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 729114220 KYUGCESMIXMFHR-UHFFFAOYSA-N 420.399 0.921 30 20 HCED CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732466267 LWXWTQZNKCAJKC-ZGTROFRASA-N 413.500 0.016 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 732662378 DNAHOEHZDGDAGO-LBPRGKRZSA-N 401.510 0.397 30 20 HCED C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CC(=O)Nc2ccccc21 741344328 XJZMCQAFAUGKHS-AKDSAVJFSA-N 412.402 0.820 30 20 HCED COc1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1-n1cnnn1 743904431 VNCVNYHAQWBVCW-UHFFFAOYSA-N 407.390 0.828 30 20 HCED O=C(Cn1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1)NC1CCCC1 747545649 CFXSRJSWHOCADU-ZCXUNETKSA-N 415.454 0.590 30 20 HCED Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755544272 FPCNRAIWRDUKSG-ZFWWWQNUSA-N 415.450 0.908 30 20 HCED C#CCOCCC(=O)OCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 756305617 UHGWNMOFUUARIW-UHFFFAOYSA-N 415.490 0.969 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758056827 XFOBAJNZPAAFRI-UHFFFAOYSA-N 419.510 0.343 30 20 HCED CC(C)c1ncc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(C)c2=O)s1 758584279 HEQXHOGKXLSDDW-UHFFFAOYSA-N 404.517 0.389 30 20 HCED COC(=O)CS(=O)(=O)Cc1ccc(CN[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 759677553 VVERPWPPWDVTKX-LJQANCHMSA-N 415.471 0.962 30 20 HCED C[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 760787132 BZUZCLRCSAJRRS-CYBMUJFWSA-N 413.521 0.541 30 20 HCED Cn1c(=O)c2ccc(C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)nc2n(C)c1=O 762300832 WYCZTOXTPVIJAR-QGZVFWFLSA-N 405.414 0.718 30 20 HCED C#C[C@H](C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 769975233 BHSMOTCFGAFXCH-INIZCTEOSA-N 421.519 0.634 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1=O 777558863 VQRCETDBHJLFIY-NRFANRHFSA-N 409.446 0.097 30 20 HCED CS(=O)(=O)CCn1c(=C(C#N)C#N)sc(=Cc2ccc(Cl)cc2F)c1=O 782340224 RZPBCCRKCGONCJ-UHFFFAOYSA-N 411.867 0.774 30 20 HCED CCOCCn1c(=C(C#N)C#N)sc(=Cc2cc(Br)nn2C)c1=O 782700550 KXLAPBILPSAUFA-UHFFFAOYSA-N 408.281 0.469 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 783052314 WXIYPCTXKXFKNH-UHFFFAOYSA-N 424.523 0.704 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1 783059702 IOWGSOJRYRFZII-OKILXGFUSA-N 413.500 0.241 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccnn1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 783481326 WTOLPSDNFUDZNN-AWEZNQCLSA-N 420.516 0.889 30 20 HCED CN1CCC(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(F)cc3OCC#N)C2)CC1 784804496 SQXZHKNQGVHTCP-OAHLLOKOSA-N 403.458 0.951 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)CCO[C@@H]1C 790254545 FGVAYCHKQONCKK-FRIZHTMISA-N 409.508 0.940 30 20 HCED COC(=O)Cn1ncc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 793852400 UJIYEXPYRBTMKO-LLVKDONJSA-N 419.463 0.820 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC)[C@H]1CCS(=O)(=O)C1 799260978 HGWIUFZUCVZLEP-ZDUSSCGKSA-N 409.420 0.581 30 20 HCED N#CCN1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 809392951 MNLSSZCKEGOPGK-GOSISDBHSA-N 422.507 0.495 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809501939 XPGRBXRMJDOXMV-HOCLYGCPSA-N 416.478 0.573 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc1C#N 810495419 LFLCNQNLXLFYMH-UHFFFAOYSA-N 411.440 0.073 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1CCOC 838181139 TZWKTRCZYZYXNL-UHFFFAOYSA-N 401.488 0.594 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 849001268 KYMSJRQAZWJGNX-UHFFFAOYSA-N 411.572 0.618 30 20 HCED C#CCNC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 852018072 JSZSXPFHJMBCSF-CQSZACIVSA-N 423.491 0.128 30 20 HCED Nc1nc(Cl)c(C=NN=C2NS(=O)(=O)c3ccccc32)c(N2CCOCC2)n1 914599385 GWOMHQZKDDALGJ-UHFFFAOYSA-N 421.870 0.621 30 20 HCED C#CCN(CC)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 919876336 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0.704 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)Cc1ccc(O)cc1 427907078 SJEVVWJHNPYDNH-CJNGLKHVSA-N 403.460 0.650 30 20 HCED N#Cc1ncccc1S(=O)(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1 428263190 VJDBXJHKSFCNFI-UHFFFAOYSA-N 405.524 0.956 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)C1=O 430521376 AHUBRQIKCLPRNX-IXDOHACOSA-N 404.511 0.529 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(C(=O)c3ccccc3O)CC2)nn1CCC#N 436552683 CMMUHKQQOGUXCG-UHFFFAOYSA-N 410.434 0.734 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1=O 440253072 GNKHFTXTTSQWIB-LBPRGKRZSA-N 411.256 0.332 30 20 HCED Cc1cccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1C#N 441618566 GRDYZFDVROSGEX-GOSISDBHSA-N 421.457 0.524 30 20 HCED N#Cc1cc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)ccc1Cl 443259579 DYKAMBKVIOBRET-UHFFFAOYSA-N 400.932 0.880 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)ccc21 448409197 CZXNVQGFFNXFOE-SJLPKXTDSA-N 414.462 0.864 30 20 HCED CN(C)CCn1ccc(NC(=O)C(=O)NCCSCc2ccccc2C#N)n1 448512402 ZKGVIBJASRBHSN-UHFFFAOYSA-N 400.508 1.304 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)cn1 462096535 JJIDNFQBNIMXGI-UHFFFAOYSA-N 422.449 0.437 30 20 HCED N#CCCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccc2c(c1)OCCO2 463502142 PMDPUYFHCATBPI-OHDICMOHSA-N 411.414 0.867 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)c(F)c1 467142092 NCUCMMLCNXQXHP-UHFFFAOYSA-N 407.402 0.841 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(C(=O)NC)C3)nnc12 468703003 GGOWVWRKSPCCSX-UHFFFAOYSA-N 412.475 0.527 30 20 HCED C=CCc1cc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC 469090683 WPRIRVISEASZCZ-UHFFFAOYSA-N 411.524 0.626 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 471317986 RHJDXYBSSVJMKL-NSHDSACASA-N 402.454 0.416 30 20 HCED C=C(C)COCCNC(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 475463371 CIFDHGZXUAFUCC-UHFFFAOYSA-N 405.451 0.572 30 20 HCED N#CCN1CCC[C@@H](CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 478312352 QRQCVOPZURABCI-INIZCTEOSA-N 406.508 0.673 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1=O 479277603 ZKGHFKPHGDLXEI-ZDUSSCGKSA-N 407.448 0.250 30 20 HCED COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482285479 JJQKZGVKWCOPJT-NOLJZWGESA-N 409.464 0.404 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@@H]2CCCO2)sc(=Cc2ccc(C#N)s2)c1=O 482553465 VAGZQGFRYWVMKO-NSHDSACASA-N 400.485 0.178 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)[C@@H]3CCOC3)sc(=Cc3ccccn3)c2=O)CC1 489010807 VSOUZWANOUKOHA-OAHLLOKOSA-N 424.526 0.680 30 20 HCED C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)NCC 490643833 LKGWYKIVFPCZKB-CYBMUJFWSA-N 422.550 0.349 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCCN3CCCCC3=O)n2)cc1 491347677 QKPMOJHCETUECY-UHFFFAOYSA-N 409.450 0.655 30 20 HCED CN1CCC(N(C)CCN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 498436810 RZPMNXOVFCKRKR-UHFFFAOYSA-N 421.567 0.977 30 20 HCED CS(=O)(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 498692138 BYVJHPBJEKRKNF-INIZCTEOSA-N 405.476 0.764 30 20 HCED COCCCS(=O)(=O)NCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 504122776 JOPMGZUEAKYGFE-INIZCTEOSA-N 408.480 0.126 30 20 HCED CN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1=O 507408102 SLCJNORLJVQVLE-QGZVFWFLSA-N 411.462 0.897 30 20 HCED N#Cc1ccc(CSCC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 508366719 GGNQFLXGLXIKBS-DLBZAZTESA-N 409.533 0.094 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N(C)CCCN(C)S(=O)(=O)N(C)[C@H](C)CC#N 509223103 JHTCRUBRGFWJPB-GASCZTMLSA-N 422.577 0.198 30 20 HCED O=C(NC[C@H]1CS(=O)(=O)CCO1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 511452696 DCZAZSPPKJWWBX-IBGZPJMESA-N 412.467 0.955 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](CCSC)C(=O)NC)cc1 511734137 GMACTZKVEQXUGW-AWEZNQCLSA-N 407.496 0.917 30 20 HCED CCN(CCCNC(=O)N1C[C@@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513983760 TYKAGFHELJKGDC-AUUYWEPGSA-N 419.507 0.713 30 20 HCED CN(CC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 532174242 RAQFEYOMYQKQJX-RBUKOAKNSA-N 420.535 0.938 30 20 HCED C=CCCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 534579385 NUAGCOJFNZMARZ-UHFFFAOYSA-N 422.507 0.790 30 20 HCED CO[C@@H]1CC[C@@H]2OCCN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 535859154 FEHZFWQPUYHEJZ-NJAFHUGGSA-N 407.492 0.974 30 20 HCED N#Cc1c(CCCNC(=O)NCC(=O)N2CCOCC2)nn(-c2ccccc2)c1N 540667872 NOMXABNUNCHJAO-UHFFFAOYSA-N 411.466 0.417 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1sccc1C#N 555952040 BCKNGHMGQBSSRY-UHFFFAOYSA-N 422.488 0.487 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@H]3CCc4n[nH]cc4C3)C2=O)cc1 559896249 VFTKCBWJHFFGSB-WMZOPIPTSA-N 406.446 0.172 30 20 HCED C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 562036782 OJWDWBAIQUTKMT-CABCVRRESA-N 411.470 0.705 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c2ccccc2O1 562151709 SVRPTHAVQMAPBB-SFHVURJKSA-N 408.414 0.723 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)CC2)n1 565736212 FRINLXXLAUYXLI-INIZCTEOSA-N 423.452 0.531 30 20 HCED C=CC[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 577895709 VKBNOWNEKBVKNF-CYBMUJFWSA-N 411.480 0.735 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)Cn1cccn1 585737190 XDWSQCKPFSIGHU-CQSZACIVSA-N 411.466 0.721 30 20 HCED Cc1cc(C)cc(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC(N)=O)c1 589159833 VMNCIWAQCRVWIO-UHFFFAOYSA-N 418.478 0.793 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCCNC3=O)CC2)cc1 590333758 YBCOIFHEMDVDBF-MRXNPFEDSA-N 404.492 0.601 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cn1 608944464 MCINZWLCXIBNQT-UHFFFAOYSA-N 404.452 0.102 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(F)c(C(N)=O)c1 610700776 RYMMUSRERAJNCS-NSHDSACASA-N 411.397 0.262 30 20 HCED N#C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCO1 612596436 VIQRRJYENANYDI-CQSZACIVSA-N 400.395 0.323 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 613104217 BWYBNWGFCAFPPD-HOTGVXAUSA-N 410.434 0.792 30 20 HCED C[C@H](NC(=O)C1CCCC1)C(=O)NCC#CCNC(=O)[C@@H](C)NC(=O)C1CCCC1 681338236 ARRIHEQDDPOHLT-IYBDPMFKSA-N 418.538 0.612 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCN(C(N)=O)CC1 726380871 SWEILKHTDDLGTR-HNNXBMFYSA-N 421.523 0.897 30 20 HCED COc1ccc(Cn2cc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cn2)cc1 732909013 VTYCYARYLWDFSR-QGZVFWFLSA-N 416.459 0.519 30 20 HCED N#C[C@@H](C(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)N1CCS(=O)(=O)CC1 732910340 OVKMMDVFPFVQPR-INIZCTEOSA-N 412.471 0.940 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(c3cccc(F)c3F)CC2)c1=O 734473431 JFJLVSRXIJLWGS-UHFFFAOYSA-N 419.432 0.602 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCS(=O)(=O)NCC1CCC1 743906813 WZNXVCSCBURSSQ-UHFFFAOYSA-N 411.455 0.612 30 20 HCED C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)CC1 747797651 DGBIGFIKXJRGJL-FQEVSTJZSA-N 413.434 0.781 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 749850382 LJZUITGKKSQZFM-OCCSQVGLSA-N 403.464 0.525 30 20 HCED COc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCCNc1ncccc1C#N 752095592 BDQJMHZTPSNJKV-UHFFFAOYSA-N 410.434 0.830 30 20 HCED C#CCOCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 755419756 CFOKPYFTUKHLOK-UHFFFAOYSA-N 411.436 0.476 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)c1 760302806 PRJVBKHRSHCOCA-UHFFFAOYSA-N 417.429 0.954 30 20 HCED CS(=O)(=O)[C@@H]1CCCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 769732783 KDWQGINEMGHOIB-CYBMUJFWSA-N 413.521 0.541 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)n(C)c1=O 771898536 ZDXOLQAWACMLKR-UHFFFAOYSA-N 422.797 0.651 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 780047739 MXAISHMODUKSGF-KGLIPLIRSA-N 408.480 0.704 30 20 HCED CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 780205991 OVWXELVTQIEPNC-KRWDZBQOSA-N 413.415 0.714 30 20 HCED Cn1c(N)c(C=Nn2c(S)nnc2CSc2ccccc2)c(=O)n(C)c1=O 782245225 PDHXQLBQHOMFNU-UHFFFAOYSA-N 403.493 0.721 30 20 HCED N#Cc1cnn2c(O)cc(COC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)nc12 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Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCCOC1(C#N)CCOCC1 809086160 BMAXQPOLAWDXHS-CYBMUJFWSA-N 414.484 0.336 30 20 HCED CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2[N+](=O)[O-])CC1 816754827 MUNWCXZSBDZGPX-CQSZACIVSA-N 405.411 0.373 30 20 HCED CNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc2c(c1)OCCO2 914556234 AAOWJZMYLAJJBX-OAHLLOKOSA-N 418.475 0.804 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1 915200470 AYRGXPNENAELTL-UHFFFAOYSA-N 414.443 0.066 30 20 HCED Cn1cc(/C=C\C(=O)[C@H](C#N)c2nc(N)nc(Nc3ccccc3)n2)c(=O)n(C)c1=O 916879777 HDNPRVKIRQLMHS-CKXPSTMWSA-N 418.417 0.484 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 918329270 AEPLHLOOBDLEPV-WBVHZDCISA-N 417.487 0.100 30 20 HCED C#CCN1CCC(C(=O)NC[C@H]2COCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 964231092 QKSIOIVOVOQEMM-ROMHJBHXSA-N 401.507 0.099 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(Br)c(C#N)c1)c(=O)n2C 1129357126 PNAXCDTTWPAEFF-UHFFFAOYSA-N 417.223 0.707 30 20 HCED 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NOGUMFZYHDOFCA-FPXQBCRKSA-N 402.557 0.804 30 20 HCED Cc1nn(C)cc1C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1831867934 LZRBKEXXXHYCEU-APWZRJJASA-N 410.540 0.753 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832166878 SSQCETRYACQZHT-IAGOWNOFSA-N 406.401 0.560 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cc(F)ccn3)CCO2)C1 1832854205 FLKHLCGJMOYUMT-KUHUBIRLSA-N 411.499 0.928 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)c3csc(N)n3)CC2)CC1 1833464825 WHTCFSSOOFNZRC-CQSZACIVSA-N 419.551 0.949 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)c(C)nn1C)CCO2 1833708511 CKJLQSBRGVFGQY-HXUWFJFHSA-N 406.458 0.741 30 20 HCED Cc1cnc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#Cc4ccccc4)C3)C2)cn1 1834081197 KXHIRMDURDWLJW-QHCPKHFHSA-N 420.469 0.907 30 20 HCED CC(C)(NCCC#N)C(=O)NC1CCN(C2CCN(C(=O)c3cn[nH]c3)CC2)CC1 1834715278 NEHHUVGXLVHRDL-UHFFFAOYSA-N 415.542 0.877 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5c(c4)CNC5=O)C3)C2)CC1 1835344656 OIUHPBSTVJSCLJ-JOCHJYFZSA-N 424.457 0.304 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCOC3)C2)C1 1835680266 GHOLWLAJGOYOSW-LAUBAEHRSA-N 422.526 0.151 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)CC1 1835717949 SZUJJGQTVMVWMQ-BEFAXECRSA-N 422.570 0.656 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)n1cccc1C=O 1835952310 PRBYVMYOKPYFIB-KKSFZXQISA-N 416.478 0.868 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c4ccccc34)CCO2)C1 1836944939 SDDYNMIXKYVHEN-DJJJIMSYSA-N 404.492 0.951 30 20 HCED Cc1cc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)on1 1837093669 HZKGWMMOMYOSCM-UHFFFAOYSA-N 403.435 0.612 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)NCC(C)C)C2)C1 1837305179 RUVMDIDCXBBOGY-XMSQKQJNSA-N 421.538 0.983 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)/C=N/N1CCCCC1)CCO2 1837440127 CRGFFYTUVRSFKI-PIUNUONSSA-N 402.495 0.328 30 20 HCED C[C@@H]1C[C@]1(C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837445383 WBKDYAQNDLSUNX-NUOUPWMNSA-N 406.527 0.961 30 20 HCED CC(=O)Nc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)o1 1837450332 HAXAJORMQFZJSY-HXUWFJFHSA-N 416.434 0.612 30 20 HCED Cn1ncc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1Cl 1838307353 IBQQMVDVUTWZEB-GOSISDBHSA-N 407.858 0.447 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccnn3)C2)C1 1839226831 FIRQOVIURLPJIS-DNVCBOLYSA-N 405.455 0.348 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236463 BMLAAZLHEJNRDT-XLIONFOSSA-N 403.483 0.503 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc3c(c1)CCNCC3)CCO2 1839694511 MQXJTCFUTOCPQE-QFIPXVFZSA-N 414.506 0.416 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)Cc4cc[nH]n4)CCO3)C2)cc1 1839721921 MNLXEAKZKZVBAC-NRFANRHFSA-N 409.446 0.594 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cccc(C#N)c3Cl)C2)C1 1840025778 PIZYVEVDDKSRMG-BFUOFWGJSA-N 407.854 0.662 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc4ccccn34)C2)C1 1840156999 AZMVKEVLPAKBFE-MGPUTAFESA-N 418.519 0.652 30 20 HCED COc1ccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1 1840157590 VLYLBMKKVBIFEU-FOIQADDNSA-N 424.519 0.849 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(=O)N(C)C)C1 1842838562 GQBLJAVJXIBTHG-CQSZACIVSA-N 406.483 0.195 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccc(N3CCOCC3)n2)C1 1843527203 HUXWPOMPFVETGE-KRWDZBQOSA-N 412.490 0.774 30 20 HCED CS(=O)(=O)CCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844303185 MCSOCZHKSIUBMT-GYKGCMEESA-N 401.485 0.154 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846195675 QNRFDNPWIJIIRB-CQSZACIVSA-N 405.451 0.535 30 20 HCED CC(C)(C)OC(=O)N1CC(CC(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846197386 BNPXMQHZZBIOSC-UHFFFAOYSA-N 405.451 0.535 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC2(CCCN2C(=O)CNC(=O)C(F)(F)F)C1 1846399641 SRGDCNRACSKBFX-DKNGMTOASA-N 420.388 0.397 30 20 HCED NC(=O)[C@H](N)CCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccc(Cl)cc1 1847473554 PLMUTIWPIPWSPP-IKGGRYGDSA-N 402.882 0.486 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(N2C(=O)C=CC2=O)cc1 1847806505 ZFBDWZJMUKNKDT-SNRMKQJTSA-N 421.453 0.970 30 20 HCED N#CCc1ccc(OC[C@@H](O)CN2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 51403259 NCKSLGRXKPYLCS-SFHVURJKSA-N 400.479 0.259 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccccc2Br)C1=O 61348465 YDUSKUNRSDUPRZ-UHFFFAOYSA-N 423.223 0.481 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)N1CCCC1 62110590 QMKNOHHGKTWAFL-CQSZACIVSA-N 421.523 0.696 30 20 HCED CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 427110916 NXFVKJLQRYFDON-UHFFFAOYSA-N 418.435 0.830 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 430417724 MNLJYGANDNPYQK-SCTDSRPQSA-N 420.554 0.675 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 439544383 CDSFNDSJMRMGOE-YOEHRIQHSA-N 400.435 0.448 30 20 HCED N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)n1 440958064 WHRKLMJQECTGPY-KBPBESRZSA-N 414.853 1.496 30 20 HCED CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@](C)(O)CN1CCOCC1 442051150 OBDJZJSCBMBCEE-FQEVSTJZSA-N 404.467 0.483 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C)c2C#N)c1 443077408 YSHHAIPKHXTGAA-UHFFFAOYSA-N 422.488 0.692 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCC4=O)c3)CC2)n1 448301807 JBBCYYHLPGMKTO-UHFFFAOYSA-N 404.430 0.977 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(F)(F)F)CC1 460602864 DLLBIZZCVXQDCL-UHFFFAOYSA-N 421.383 1.092 30 20 HCED CCc1c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cnc2c1c(=O)n(C)c(=O)n2C 461738790 UNHUWKBFKHQJEB-UHFFFAOYSA-N 419.441 0.970 30 20 HCED COC(=O)c1cn(C2CN(C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)nn1 466917718 FIYGZNLQTMIHMK-UHFFFAOYSA-N 410.369 1.350 30 20 HCED C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 475596313 QEVLERGEGLAHKK-ZYHUDNBSSA-N 419.912 0.429 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCCN1CCC[C@H]1CO 476442434 GLJWTYGRWAFPNC-WBVHZDCISA-N 408.524 0.578 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C(N)=O)o2)cc1 476807900 OZFFUGNWRMQZFI-UHFFFAOYSA-N 420.447 0.440 30 20 HCED CC#CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 477625314 HYFCXDVTBGZGGM-UHFFFAOYSA-N 407.492 0.297 30 20 HCED N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccncc2)c(=O)n1Cc1ccon1 478846271 RATQCJLKLYZJNU-OAHLLOKOSA-N 422.466 0.840 30 20 HCED CCN(CC)C(=O)[C@H]1CSCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481265729 WLWHABZSOPHPOZ-XJKSGUPXSA-N 424.548 0.995 30 20 HCED COC(=O)CCc1nnc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 482206816 FLKXJZLDKNSPJC-SNVBAGLBSA-N 423.476 0.821 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CC(N)=O)C1CCOCC1 482485477 BHXDEVKDESMRMC-MLGOLLRUSA-N 408.480 0.012 30 20 HCED CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 506716753 DQMPIZJWVSONJU-ZDUSSCGKSA-N 410.500 0.331 30 20 HCED C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)CCOC)CC1 508799996 CNBPHJKFUODLGQ-UHFFFAOYSA-N 423.481 0.792 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCNC(=O)[C@@H]1Cc1nc2ccccc2o1 509270054 NEZRFYBWAAEPFO-ZFWWWQNUSA-N 405.480 0.897 30 20 HCED C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 510486959 DJUVOACEFWUMLS-UHFFFAOYSA-N 419.573 0.664 30 20 HCED CCOC(=O)[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCCOC1 511659044 OLLDJEDQLDQZLA-YJBOKZPZSA-N 423.491 0.653 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1cnn(CC)c1 512747997 WTANZCAQUSAVAL-UHFFFAOYSA-N 423.502 0.137 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc(F)cc3C)c2=O)cn1 522390344 GICVJMSNZNYWCJ-UHFFFAOYSA-N 411.462 0.812 30 20 HCED CCc1c(C(=O)Nc2n[nH]c(CCCNC)c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 534791258 SEGIQPYYQXUUFU-UHFFFAOYSA-N 424.465 0.194 30 20 HCED C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCC2 536482869 STZNIJAEJSKSMF-ZDUSSCGKSA-N 402.480 0.984 30 20 HCED CN(C)C(=O)NCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 539707482 CPRDDAZSXPTCNL-UHFFFAOYSA-N 407.496 0.346 30 20 HCED C=CCNC(=O)CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 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30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccc(C#N)cn4)CC3)CC2)o1 195594411 CFGJCIYQVVDACU-UHFFFAOYSA-N 420.477 0.592 30 20 HCED COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 410399754 GIFVTISPMSGXIJ-UONOGXRCSA-N 412.516 0.302 30 20 HCED CC(C)Cn1c(N)c(C(=O)Cn2cc(C#N)c(=O)c3ccccc32)c(=O)n(C)c1=O 432558543 UDSCYJYZCRTGMG-UHFFFAOYSA-N 407.430 0.855 30 20 HCED COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443023638 MDUYXQJYLWFUTG-LBPRGKRZSA-N 417.465 0.681 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@H]3CCOC3)CC2)c1 448481356 LIWYXHJRUAEBPE-MRXNPFEDSA-N 409.450 0.474 30 20 HCED N#C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CCN1Cc1ccccc1 463733905 FOEIDYZIAWEAMN-QKMNUUQDSA-N 408.458 0.385 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1 465122724 RADCSMDFBJZXKG-OAHLLOKOSA-N 414.491 0.706 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 472710723 BRMDSPGKMLRPRO-UHFFFAOYSA-N 400.464 0.561 30 20 HCED 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518019227 NJVSIOIESSOZDD-UHFFFAOYSA-N 416.511 0.369 30 20 HCED Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(F)F)cc2)c1=O 526038272 FBBFBKGWNNCBPQ-UHFFFAOYSA-N 405.426 0.746 30 20 HCED COc1cccc(N2C[C@@H](NC(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2=O)c1 533318211 BLZDUCNMOAKYPW-AWEZNQCLSA-N 410.434 0.974 30 20 HCED N#CCCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 544151628 FUWAWZPUNFUQEV-UHFFFAOYSA-N 414.871 0.719 30 20 HCED COC(=O)C1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCSCC1 548315657 PHYNICMVUYEKFY-GFCCVEGCSA-N 411.505 0.780 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N[C@@H](C)Cc1c(F)cccc1F 551587830 ITPSDRBFEMHEEP-JTQLQIEISA-N 400.407 0.969 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 563764613 UBYXBLFYTZIBMV-UHFFFAOYSA-N 421.504 0.372 30 20 HCED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCC#CCO)CC2)c1 573109858 JHJAVDGVHBAWKA-UHFFFAOYSA-N 421.519 0.028 30 20 HCED COC(=O)c1cncc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 574708976 RADWCHGOCXRXEX-GFCCVEGCSA-N 402.436 0.429 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(C3CC3)c2C#N)C1 580352765 JTDUPXJOWFPWHV-ZDUSSCGKSA-N 417.495 1.538 30 20 HCED C=CCOC[C@@H]1NC(=O)N(Cc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1=O 583016571 YOHBXMXDIIVUHE-WBVHZDCISA-N 423.491 0.767 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1-n1cnnn1 604168558 CUGCHZVTFXSAIV-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 609077582 XJEKBDDZPOSJSH-SFHVURJKSA-N 420.535 0.532 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnnn3C3CCOCC3)CC2)o1 609261535 UWKJDBPTISFWBH-UHFFFAOYSA-N 418.483 0.634 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2ncccn2)CC1 610798832 VHEZKQGHQNWMBG-CQSZACIVSA-N 414.491 0.800 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCNC(C)=O)nnc12 641991061 XSPGNHZTBPETOD-UHFFFAOYSA-N 414.491 0.965 30 20 HCED COCCNC(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725765920 QYNPTKFJQAKPEF-NRFANRHFSA-N 413.478 0.757 30 20 HCED CCN(C(=O)[C@H](C)OC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 727013072 ONUHCSISUOTBBO-XJKSGUPXSA-N 421.475 0.255 30 20 HCED COc1ccc(Br)cc1C=c1sc(=C(C#N)C#N)n(CC(N)=O)c1=O 727162584 MEYIMHMIRAZDSA-UHFFFAOYSA-N 419.260 0.193 30 20 HCED C#CCNC(=O)CN1CCN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1 728573331 NYQVHYCUHKFJTE-UHFFFAOYSA-N 413.522 0.034 30 20 HCED COC(=O)NCCC(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 730922031 JSPRYUXQRPSZPC-OAHLLOKOSA-N 403.395 0.698 30 20 HCED C[C@H]1CN(C[C@@H]2CCCN2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 732467532 YZJZLXXSZRWYAQ-GIEFCVHXSA-N 405.499 0.796 30 20 HCED CNS(=O)(=O)[C@H]1CCCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C1 733299725 JCYTWYLQIJSRMZ-INIZCTEOSA-N 405.480 0.294 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 735197093 AVMFSKUVHYUIQQ-UHFFFAOYSA-N 416.415 0.609 30 20 HCED CN1CC[C@H](N(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 737949732 USSPBRMZJKLEFI-HNNXBMFYSA-N 406.508 0.975 30 20 HCED C[S@](=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 741144035 SLDZKGFZRUPFSZ-SANMLTNESA-N 412.537 0.015 30 20 HCED CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 741238082 FSUKCYLKKJHZDD-HZPDHXFCSA-N 407.492 0.504 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CC(=O)NCCOC)C1=O 743513443 GDFROXASTUAHDS-CQSZACIVSA-N 410.471 0.964 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 747735157 KLQVOVPTNQWMSS-UHFFFAOYSA-N 408.458 0.046 30 20 HCED C#CCNC(=O)C1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 747817977 BDQUEEPQHOQSOP-GJZGRUSLSA-N 420.535 0.361 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Cn1c(S)nc2ccccc2c1=O 748323857 PZFPXOKRHAGSRL-UHFFFAOYSA-N 401.492 0.760 30 20 HCED C#CCOCCC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 755442115 WIASKMPZNYJSGB-UHFFFAOYSA-N 400.478 0.408 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc(OC(F)F)c2)c1=O 758040886 MZGULYGZWNZTSV-UHFFFAOYSA-N 415.421 0.926 30 20 HCED N#Cc1ncccc1S(=O)(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 758073276 NJSXLAFUNLWWML-UHFFFAOYSA-N 409.445 0.742 30 20 HCED COC(=O)c1cccc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 758356505 PNGSCMXKPOZGIA-UHFFFAOYSA-N 416.411 0.938 30 20 HCED CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 762010275 GFBUHRXSVUVYRP-MRXNPFEDSA-N 410.434 0.382 30 20 HCED C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1cccc(C#N)c1 762391450 IPAXASLURGSZHJ-GFCCVEGCSA-N 400.416 0.926 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCc1cccnc1 763459724 BYXBHWOJRZTZQN-UHFFFAOYSA-N 419.510 0.691 30 20 HCED C#CCOc1ccccc1CN1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 768249189 AZSBQDASENUUKS-QGZVFWFLSA-N 412.533 0.333 30 20 HCED C/C=C\C[C@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 770798943 BHVBJNZZSHXNSW-GYWFVORLSA-N 422.507 0.881 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 770836835 UNQUBOUKJLXMIF-UCLAIMLFSA-N 417.487 0.826 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)cc1 775207960 GHZXNOZKHNODMH-OAHLLOKOSA-N 407.492 0.308 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 783012517 FZMWYJKWTRPCKB-MRXNPFEDSA-N 400.545 0.315 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)n1 789786988 DEBUXCJOHTVVDQ-GOSISDBHSA-N 414.466 0.506 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCN(c2nc(C)ns2)CC1)c1cc[nH]n1 789987696 WOHRFDUSLIWKEA-UHFFFAOYSA-N 421.483 0.592 30 20 HCED C#CCCS(=O)(=O)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 810785872 STHCLXZERVVGQJ-UHFFFAOYSA-N 411.505 0.755 30 20 HCED N#CCSc1ccccc1NC(=O)COC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 815263638 MDVOSYYVECADRH-GFCCVEGCSA-N 412.493 0.699 30 20 HCED CC1(C)C(=O)N[C@H]1C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 819071756 ZRRQAEROXWYXRW-INIZCTEOSA-N 404.492 0.488 30 20 HCED Cc1ccc2nc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc(=O)n2c1 916602037 QLBHTRXEANGUET-UHFFFAOYSA-N 412.427 0.896 30 20 HCED CS(=O)(=O)NC[C@H]1CCCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 917102324 TYQXMQZUXPFVGP-HIFRSBDPSA-N 417.491 0.915 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)Cn1ccc(=O)n(C)c1=O 917507171 QGSPHFWSXASHOE-GFCCVEGCSA-N 400.391 0.260 30 20 HCED COCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918607773 BXPXLXMAAUZUHJ-OBGWFSINSA-N 417.509 0.499 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 921130525 OFVCHLYKVCYWST-UHFFFAOYSA-N 406.258 0.832 30 20 HCED C#CCNC(=O)CC(=O)N(CC)CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1081101710 MMGQPKCNVPSBNJ-ATOXUGOLSA-N 401.507 0.636 30 20 HCED COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1116119759 NTZQHYHZXHGXDP-ZFHSLQLHSA-N 407.423 0.246 30 20 HCED CN(C)CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1252815918 OGBRLRKWWKGWEM-GOSISDBHSA-N 411.506 0.828 30 20 HCED COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1301835101 LIPBPLNXLKJXHE-OAHLLOKOSA-N 412.516 0.387 30 20 HCED CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1302438734 LEONCISRQRHHIQ-MRXNPFEDSA-N 412.479 0.732 30 20 HCED CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1306548234 YZMAQDXRDACMGI-HZPDHXFCSA-N 417.514 0.795 30 20 HCED CN1CCN(CCCS(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 1309179147 OWTILPPTCBUVPP-FQEVSTJZSA-N 405.568 0.664 30 20 HCED Cn1c(N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)c(C#N)c(=O)n(C)c1=O 1319301171 CXWWTMCEQFTWBX-UHFFFAOYSA-N 407.430 0.468 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)CC2=O)cc1 1322942898 RJHRAIGRJVXGMD-INIZCTEOSA-N 422.445 0.605 30 20 HCED C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)CC1 1359146403 XODZRGMMBARVDH-UHFFFAOYSA-N 420.886 0.908 30 20 HCED CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3cncc(C#N)c3)C2)ccn1 1464062548 SVXUMCYQAUAAAP-HNNXBMFYSA-N 401.448 0.940 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1513975672 SBKHGXCJHCZEAZ-HNNXBMFYSA-N 417.495 0.081 30 20 HCED N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2nccc(C(F)F)n2)CCO1 1555995482 QEAOQJRSEAVUNR-GFCCVEGCSA-N 418.408 0.905 30 20 HCED CCOC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1616033897 XGCGZRPOBHSHSI-STQMWFEESA-N 400.505 0.432 30 20 HCED N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCS(=O)(=O)CC2)C1 1698484971 XTXGBXWOTCNJGF-MRXNPFEDSA-N 408.459 0.655 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1712876630 RJSRBTXWTLKWSS-DLBZAZTESA-N 406.443 0.332 30 20 HCED Cn1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1729582508 SLOONZPIMGXAAN-GUYCJALGSA-N 407.475 0.598 30 20 HCED CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1748278564 PRTBDJBWRPAZPM-KRWDZBQOSA-N 405.459 0.848 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CC[C@]2(CN(C(=O)CN3CC(=O)NC3=O)CCO2)C1 1778880419 ZLIRAMFUZOBAQV-YWZLYKJASA-N 404.467 0.137 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1778966800 GHVNMQJVVDSMNC-MGPUTAFESA-N 405.451 0.102 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CCN3CCOCC3)CCO2)C1 1778969499 NQQODCVITQJZJG-DYESRHJHSA-N 409.527 0.112 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3nc4ncccn4n3)CCO2)C1 1778972049 PCOFYBMFAURSIH-XOBRGWDASA-N 414.466 0.141 30 20 HCED Nc1ncc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@@H]4CCCCO4)C3)C2)s1 1779104033 FHXGIUJCSNHVHN-LDSVYWLUSA-N 423.495 0.698 30 20 HCED N#Cc1cccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)CN2CCNC2=N)C3)c1 1780347393 FMVBTRWVAXPBDT-XMSQKQJNSA-N 424.505 0.526 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1781271672 GXFMORQHWQUDHP-FIKGOQFSSA-N 408.495 0.877 30 20 HCED CC(=O)NCC(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)ON=C(C)C)C2)C1 1781393402 NMTIRDVCSNQVSN-QRWLVFNGSA-N 410.515 0.780 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cn4ncccc4n3)CCO2)C1 1781394207 AMSRDXMLMQKSQS-MGPUTAFESA-N 414.466 0.974 30 20 HCED C=C(C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)OC)C2)C(F)(F)F 1781808062 LMLRJRXYRCILBE-MLGOLLRUSA-N 407.389 0.975 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)[C@H](C)n2cnnn2)CCO3)c1 1782061018 VEUBICNMVOLNQH-YWZLYKJASA-N 409.450 0.558 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HCED CCOC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCOCC1 534756288 SHDVMCAXPBRSLU-SFHVURJKSA-N 408.476 0.948 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCSC[C@H]1C#N 537148553 ICXNFNSWVLCPHV-CYBMUJFWSA-N 411.505 0.797 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCO1 542106889 YIKUSRVMBLYOCN-AWEZNQCLSA-N 401.354 0.222 30 20 HCED CN(C)CCNC(=O)Cn1cc(NC(=O)C(=O)NC2(c3cccc(C#N)c3)CC2)cn1 556565550 AYGYUFIJMXAJAY-UHFFFAOYSA-N 423.477 0.177 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)c(N3CCOCC3)cc2F)C1=O 557774442 SCKKTWCCTNWWOO-UHFFFAOYSA-N 408.361 0.717 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCN(C4CC4)CC3)C2=O)cc1 563963252 JAULUWYYGCPGLI-LJQANCHMSA-N 409.490 0.913 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CC)CS(=O)(=O)c2ccccc2)C1=O 572520801 OBHONYBRBBZLHY-WBVHZDCISA-N 421.519 0.600 30 20 HCED N#Cc1cncn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1=O 575240180 MIBLEVYEBFARST-UHFFFAOYSA-N 421.866 0.301 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)CC2 577072460 GUNBAETXMCPTEM-AWEZNQCLSA-N 419.484 0.460 30 20 HCED Cc1ncc(S(=O)(=O)NCCNC(=O)NCc2cccc(C(=O)O)c2)cc1C#N 578946100 DYNAGKBSKQTJTM-UHFFFAOYSA-N 417.447 0.738 30 20 HCED N#Cc1ccsc1NC(=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 581324985 ZTTLWWCEVBXNCU-CQSZACIVSA-N 413.459 0.277 30 20 HCED CN(C)C[C@](C)(C#N)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 582522132 XEGUOFKFMPEOEH-IBGZPJMESA-N 408.524 0.600 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C 585761261 MDSHZXQNWILGCK-CABCVRRESA-N 414.466 0.660 30 20 HCED CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 604140491 KFPWAZGOYAHRQM-UHFFFAOYSA-N 417.447 0.740 30 20 HCED N#C[C@@]1(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCSC1 604544837 OXLCNMRMKKMCMO-HNNXBMFYSA-N 401.535 0.827 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nnnn2C2CC2)cc1 608547332 SLTMQJBLTVPUEA-UHFFFAOYSA-N 419.467 0.069 30 20 HCED N#CCN1CCC(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 609330595 RQWSIZPGVVJEBH-UHFFFAOYSA-N 420.535 0.744 30 20 HCED COC(=O)c1ccc(OC)cc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 615049670 SGBYVULGIPNWTL-UHFFFAOYSA-N 414.422 0.688 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCc1cccnc1 727814222 OVIYJONZKMHFCO-UHFFFAOYSA-N 422.514 0.310 30 20 HCED N#Cc1cnn(CCOC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1N 729806994 UGWFVZUOPBGQBY-UHFFFAOYSA-N 405.436 0.215 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cnc2N(C)C)CC1 733258323 WIFHKPZMLZKSJQ-UHFFFAOYSA-N 408.300 0.417 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2c(C)nc3cc(O)nn3c2C)cc1 733883845 GQWKJSWUBSOBNV-UHFFFAOYSA-N 413.459 0.893 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCc2c(C)nc3cc(O)nn3c2C)c1 733883973 KZNMMAIIPOLVPI-UHFFFAOYSA-N 413.459 0.893 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCCC2)cc1 735591078 RIPHWGSUNGHPDI-XLNRJJMWSA-N 421.523 0.650 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(N)=O)C2)cc1 747977277 NECDLFOXHPDDLG-MYKQLWFJSA-N 409.468 0.217 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)CC1 747993192 AHIWJGVOYVFSCJ-UHFFFAOYSA-N 411.506 0.365 30 20 HCED C[C@H](N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1)C(F)(F)F 749420227 VYGIFUUOXBHDNZ-NSHDSACASA-N 404.414 0.820 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C2CCN(S(C)(=O)=O)CC2)C1 756897236 WDMFFJHIBANRBE-KGLIPLIRSA-N 400.501 0.533 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)o1 756919131 ATPBLEDVTNOSGO-DGCLKSJQSA-N 412.468 0.985 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(F)cc2C(F)(F)F)c1=O 758049702 JPJSELXEJCVZNE-UHFFFAOYSA-N 409.364 0.950 30 20 HCED NS(=O)(=O)c1ccc(NC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)cc1 761219722 LWBBEOVPYLMHKR-UHFFFAOYSA-N 402.384 0.596 30 20 HCED C=CCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccn(C)c2)c1=O 763432604 HHCVBLHSNQPUCX-UHFFFAOYSA-N 411.531 0.101 30 20 HCED CC(C)(C)OC(=O)NCC(=O)NCC(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 766985632 XPTWXEIKQQUTCQ-HNNXBMFYSA-N 416.434 0.848 30 20 HCED C[C@@H](CC(=O)N1CCN(CCO)C(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 781676224 DYODVKJKJUQVDV-AWEZNQCLSA-N 408.524 0.419 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 783350902 RSPAQLOYYQUMKD-HOTGVXAUSA-N 423.535 0.951 30 20 HCED COCC(=O)Nc1cccc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1 787093603 LYGXBSABDQCRIC-UHFFFAOYSA-N 410.434 0.383 30 20 HCED CN(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1 796679475 VRWFORRBFQWPJX-UHFFFAOYSA-N 421.500 0.997 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 803924181 CQYLXBIHWCKBKI-UHFFFAOYSA-N 418.469 0.751 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)cn1 805092419 FRRLJFSDNQLAII-UHFFFAOYSA-N 413.419 0.214 30 20 HCED N#Cc1ccc(F)c(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c1 805187353 JSAHJEDSWCXYOK-HNNXBMFYSA-N 409.421 0.808 30 20 HCED Cn1cc(S(=O)(=O)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cc1C(N)=O 805842802 BSRQOGSRVZYHLV-GFCCVEGCSA-N 419.438 0.466 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ncnc3sc(C)cc23)CC1)[C@@H]1CCCO1 809310480 JMPJJEUTLJVSJR-HOTGVXAUSA-N 413.503 0.945 30 20 HCED N#Cc1cccc(S(=O)(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 916809014 LIOCBLHWZGUUSR-FQEVSTJZSA-N 424.438 0.757 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@@H](C#N)C(=O)Nc2ccc(Cl)cc2)n(C)c1=O 916885426 WRMFMHOWUGJMRD-GFCCVEGCSA-N 414.809 0.435 30 20 HCED CN1CC(=O)N(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 918640253 SROIKUQEYUNFHQ-RGEXLXHISA-N 407.452 0.332 30 20 HCED CN(C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(C)(C)C#N 919183059 SIGHBWLTXCCRBG-GDBMZVCRSA-N 405.426 0.634 30 20 HCED C=CC(C)(C)C(=O)N1C[C@H](n2ccnn2)[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 990926789 XQAIDEJZWIEUIR-ZOFXXKQRSA-N 403.483 0.410 30 20 HCED COC[C@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1116248547 UQIHRWOIQBNYEX-KUHUBIRLSA-N 402.407 0.458 30 20 HCED N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1131532039 WOOLFMYGTJABGJ-IFWNTPBBSA-N 402.495 0.035 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(=O)NC[C@@H]3c3ccccc3)CC2)o1 1198043108 VQHYGRIETDAAQT-GOSISDBHSA-N 408.462 0.676 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)o1 1256338453 FPRHHVHINBKKRS-GOSISDBHSA-N 416.526 0.594 30 20 HCED C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1291322676 YZMYDMGCRRWWGG-IQUTYRLHSA-N 413.438 0.194 30 20 HCED N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)CC1 1316535674 XMAXWNNDCCNPCZ-OAHLLOKOSA-N 404.500 0.602 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1318632247 YJBPICWLNXCEJV-LJQANCHMSA-N 402.543 0.869 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCNC(=O)c2ccccc2C(F)(F)F)CCO1 1321232191 RRCFMKTWOLGKIU-NSHDSACASA-N 406.386 0.494 30 20 HCED CC(=O)N1CCN(C(=O)CCNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 1338860258 GSJQJDFUBPSCCW-UHFFFAOYSA-N 416.482 0.268 30 20 HCED Cn1cc([C@H]2C[S@](=O)CCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1344549919 QFWIJZXNCBVMCV-XGCWNURASA-N 420.516 0.539 30 20 HCED Cn1c(O)nc(N2CC[C@@H](NC(=O)c3ccn(-c4cccc(C#N)c4)n3)C2)cc1=O 1456432640 LQAVNTPXZXOTRT-CQSZACIVSA-N 405.418 0.552 30 20 HCED Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1543067669 VXZGRXRQHQURDS-HOTGVXAUSA-N 419.511 0.303 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C)C(C)(C)C1 1608406658 WMBNKBFWHUHBEL-HXUWFJFHSA-N 420.537 0.884 30 20 HCED N#Cc1cn(CCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(=O)nc1O 1624425216 VHJVQDVLUVKTTP-UHFFFAOYSA-N 409.446 0.766 30 20 HCED N#Cc1cn(CC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(=O)nc1O 1627423606 ZOOBEBFHQHKHOI-MRXNPFEDSA-N 417.853 0.664 30 20 HCED N#Cc1cn(CCC(=O)NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c(=O)nc1O 1633918369 OAJLNLUNPLMEAI-HNNXBMFYSA-N 409.402 0.455 30 20 HCED N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC(=O)N2CCOCC2)cc1 1712879272 UTRXJZCWOZVCDR-UHFFFAOYSA-N 423.477 0.377 30 20 HCED CCOC1CC(O)(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)C1 1746946181 MTWFSDQYRAPQMC-LFDOHDQPSA-N 420.514 0.855 30 20 HCED CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1747420964 YVRICLTUPWUZBN-SFHVURJKSA-N 408.528 0.965 30 20 HCED C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1760379460 UMJCUJLUKBEIBV-UHFFFAOYSA-N 416.935 0.625 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnn4ccncc34)C2)C1 1777977966 YCUIFSGLVGOJIF-UWJYYQICSA-N 413.478 0.746 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)N3C[C@@H]4C[C@H]4C3)C2)C1 1778869999 JDSJSIYLRAPDSZ-UONLAYADSA-N 406.527 0.957 30 20 HCED O=C(/C=C/c1cnc[nH]1)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779107490 VMKMSDZYAYNGAW-RIBDNXHWSA-N 417.466 0.782 30 20 HCED O=C(CCN1CCOCC1)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137260 KJWKGUYAZYGKEV-PIUNUONSSA-N 418.494 0.251 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cncc(C(F)(F)F)c3)C2)C1 1779748649 JHYZAEHGWOHPDM-KRWDZBQOSA-N 411.336 0.632 30 20 HCED N#CCC(=O)N1CCO[C@@]2(CCN(C(=O)c3n[nH]c4c3CCc3ncccc3-4)C2)C1 1780034695 YOYXXGDCIFLHPF-NRFANRHFSA-N 406.446 0.927 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2c(O)cc(O)cc2O)CCO3)c1 1780337332 LTOIYWAEFSHBJK-HXUWFJFHSA-N 412.402 0.760 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2[nH]nnc2C)CCO3)c(C#N)c1 1781174588 QJOOGPDMPTZENW-NRFANRHFSA-N 424.461 0.680 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781400827 XMZPOZLXQINCMP-RLFYNMQTSA-N 401.529 0.731 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)c4cc(O)ncn4)CCO3)C2)c1 1781961871 VXSFBNOOFRYBRS-FQEVSTJZSA-N 411.393 0.950 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1)n1ccnn1 1782763371 SMBAAPFGEZOBIN-UWJYYQICSA-N 415.494 0.368 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nsnc3NC)[C@H]2C1 1783519263 XLRMOFUMEKCXSA-XUXIUFHCSA-N 407.496 0.211 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)COc1ccc(Cl)c(F)c1)CCO2 1783557258 DOMJEMDHDDKHAA-LJQANCHMSA-N 424.812 0.776 30 20 HCED Cc1ccc(CC(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)cc1[N+](=O)[O-] 1783566033 WPJZFSWKDYGKTD-HXUWFJFHSA-N 415.402 0.364 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccn4nccc34)C[C@@H]21 1784482356 KEXAGAFXOZVUOG-DUPRYPCISA-N 410.474 0.966 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(CCN(C(=O)C3(C#N)CCC3)C2)C1)N1CCN(C)CC1 1785367234 DHTHBCINHRSHJH-DYESRHJHSA-N 403.527 0.146 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(C(C)=O)[nH]n3)[C@H]2C1 1785840688 IQHYFZHQDQRMCL-DFEHZGFQSA-N 418.494 0.779 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/N3CCCCC3)[C@H]2C1)n1ccnc1 1788602225 QALOUQAWNVRQFC-LMFZDUPYSA-N 416.526 0.896 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cccc(C#N)c3)[C@H]2C1 1789510734 VXPZBCJXIRNSTB-VJANTYMQSA-N 410.474 0.772 30 20 HCED CC(C)=NO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCNC(=O)C3)C[C@@H]21 1789957157 IXRISXPZRWATOR-NRKLIOEPSA-N 408.499 0.293 30 20 HCED C#CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C3(C)CN(C(=O)OC(C)(C)C)C3)C[C@@H]21 1790792528 QIWLRHJJUAZAOR-JYJNAYRXSA-N 405.495 0.856 30 20 HCED 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CCC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2ccccc2C#N)C3)COC1 1800387500 UAXKILQFJXXPBT-XEMDLRDOSA-N 413.474 0.953 30 20 HCED C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@]13CCN(C(=O)OC(C)(C)C)C3)C2 1800454789 CRDPTQNLAPEVBM-KMWNMMNJSA-N 417.506 0.856 30 20 HCED C[C@H](S)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(N3CCOCC3)n1)C2 1800985339 CPNKHRYQDOODGF-AFIMGQEJSA-N 420.535 0.440 30 20 HCED C#CCCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CNC(=O)c1cccnc1)C2 1801164320 DIGZNQBHPSREKV-RMFSNUHRSA-N 412.490 0.595 30 20 HCED C=CCO[C@@H](C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Cc1cnc[nH]1)NC(C)=O 1802837354 GQVQPPSYOHBXOF-FKNOUYQLSA-N 417.510 0.686 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC2(CCCN(C(=O)C(C)(C)NC(C)=O)C2)CC1 1806045121 GPQFSILWCPCUCK-FPLPWBNLSA-N 418.538 0.991 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2ccc3ncnn3c2)[C@H]1c1cccnc1 1812881075 PYILLHWVVQCOFA-QRWLVFNGSA-N 418.413 0.532 30 20 HCED C[C@H](S)C(=O)NC[C@H]1CCN(C(=O)c2nccnc2C(N)=O)[C@H]1c1cccnc1 1813040521 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404.410 0.607 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)F)CCO2 1835482905 PUCLLCWMJVYGHP-IBGZPJMESA-N 400.447 0.700 30 20 HCED CC[C@@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1835913434 ARBVDWVBYNUZOV-KNQAVFIVSA-N 414.506 0.821 30 20 HCED Cc1nocc1C(=O)N1CCOC[C@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837561655 ZLGOQZOMBVKNLP-JFOGYLRVSA-N 416.434 0.765 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(CC)noc3C)CCO2)C1 1838055033 RQPVAARNPSLMBF-IIBYNOLFSA-N 419.478 0.654 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)c3cc[n+]([O-])cc3)CC2)CC1 1838510865 INXXZDJKCDMUHY-UHFFFAOYSA-N 401.419 0.020 30 20 HCED CSCC[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838742018 MGHPOXONRHAIHB-LPHOPBHVSA-N 422.507 0.070 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OCC)nn1)CCO2 1838832114 REJBWCODUZVIQA-FQEVSTJZSA-N 402.451 0.359 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839234911 KDSJOGSCUSMEPB-FQEVSTJZSA-N 405.499 0.727 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(Cl)c(O)cc1O)CCO2 1839252562 LOXIDEZBQOOZGN-GOSISDBHSA-N 409.826 0.735 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H]4C=CCN4)C3)C2)c1 1839452083 FFGPVRAJIFEDJW-SIKLNZKXSA-N 410.474 0.465 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(Cl)ccc1OC)CCO2 1839790854 HDUAGNFNNPTLAQ-FQEVSTJZSA-N 406.866 0.981 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)C/N=C/c4ccco4)C3)C2)CCC1 1840814353 DXAUJZMKFVONFB-HOGCTVLVSA-N 414.462 0.849 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)CCc4cnccn4)C3)C2)CCC1 1840816068 NVWHCHOOGBQJIK-NRFANRHFSA-N 413.478 0.559 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4cc(F)ccc4n3)C2)C1 1840842537 NMTYLXJURNVUFE-NRFANRHFSA-N 414.437 0.957 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)[C@H](C)[C@H]1SC(=N)NC1=O)C2 1841604937 CPPIYSFZSKAUHQ-UKRRQHHQSA-N 408.524 0.975 30 20 HCED COC(=O)CSCC(=O)N1CCCC12CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1841614090 LUBCRMYCJKBWQW-AHUIGUKZSA-N 413.496 0.625 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)CS(C)(=O)=O)C1 1841618830 YXQJYKBXUJJVSL-AWEZNQCLSA-N 400.497 0.380 30 20 HCED O=C(O)C#CC(=O)N1CC2(CCCN2C(=O)CSc2ccccc2[N+](=O)[O-])C1 1846303775 OJDVYPKWJZNSOZ-UHFFFAOYSA-N 403.416 0.978 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1ON=C(c2ccccc2)O1 1847261670 AXALAPRQOAOHMR-ZITMXRORSA-N 424.457 0.781 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 9628330 DFEJEFPOHGGTLA-UHFFFAOYSA-N 423.491 0.951 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)cc1 52658223 LNWXRZULXKCIPA-IBGZPJMESA-N 415.538 0.929 30 20 HCED C[C@H](C(=O)N(C)CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)n1cccn1 53477417 DAMFXTBTUKALBL-CQSZACIVSA-N 411.466 0.988 30 20 HCED CC[C@H]1CN(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CCO1 427890914 DAZJTHIOBYBWBK-AWEZNQCLSA-N 414.441 1.049 30 20 HCED CCc1ccc(C(=O)Nc2n[nH]c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 431677000 BKQPTIZFHGOAMO-UHFFFAOYSA-N 403.464 1.425 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)n2)c1 437321963 HWFUXVGYJAAXCH-ZDUSSCGKSA-N 419.488 0.900 30 20 HCED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 439214821 UBZKIDTZIIRTNV-KRWDZBQOSA-N 417.558 1.323 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N(CCO)CCOCC(F)(F)F)n1 439975733 FAPIENJBEVHIDW-UHFFFAOYSA-N 405.377 0.848 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)C1=O 440264385 FHCWBSVXUQPSEO-OAHLLOKOSA-N 402.451 0.757 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(N2CCOCC2)CCSC1 443013659 LZTLYHQNRFPDNN-MRXNPFEDSA-N 412.493 0.953 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCNS(=O)(=O)c1cccs1 443510425 NLWDYYFLHUNWPQ-UHFFFAOYSA-N 416.462 0.785 30 20 HCED CCCc1c(NC(=O)C(=O)N[C@H](CCOC)C(N)=O)cnn1-c1cccc(C#N)c1 443693148 NQHFGKWLGYNEFH-OAHLLOKOSA-N 412.450 0.642 30 20 HCED COC(=O)c1ccc(N2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)[C@@H](C)C2)cc1 444512331 SWLIOKDLNDJAHR-HNNXBMFYSA-N 424.461 1.259 30 20 HCED CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1(C)C 447290239 KUAKDUBSGKIXIE-FOIQADDNSA-N 412.450 0.760 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)cc1 447456476 AXKMKEVSRPIGGV-CRAIPNDOSA-N 419.478 0.413 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1 464324427 BJHHIDFZRBZTFQ-INIZCTEOSA-N 404.423 0.974 30 20 HCED CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 465328683 YQNZQISSSUKLFM-SFHVURJKSA-N 423.477 0.146 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2 465418106 SCLKPPWRKFBPDY-ZDUSSCGKSA-N 419.445 0.909 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)CC2)c1C#N 472059969 YOZBGAGRCLCKRU-CYBMUJFWSA-N 413.404 0.595 30 20 HCED COC(=O)c1sccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472207521 SIDKROUXNOHVGK-UHFFFAOYSA-N 409.493 0.959 30 20 HCED CCCN(CC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 480129832 DSAKXZXAHWWXPH-UHFFFAOYSA-N 410.496 0.890 30 20 HCED C=CCOC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 481568728 FIMCHLXQWDFNOC-CVEARBPZSA-N 402.513 0.831 30 20 HCED CN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCN(S(C)(=O)=O)C1 490231772 RZSRPPYLQYIAPS-DLBZAZTESA-N 419.507 0.334 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 492193615 CQNLJAUYNILMET-UHFFFAOYSA-N 404.442 0.907 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnn(CC)c2)cc1 508329000 XRXPBHHSGMRZTG-UHFFFAOYSA-N 405.480 0.964 30 20 HCED CCN1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H](C)C1 511621442 DFBDWPQWESIZTD-KRWDZBQOSA-N 419.551 0.417 30 20 HCED Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 517116836 CMPFVECQVPYRAS-UHFFFAOYSA-N 417.433 0.525 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C1CCN(C)CC1 518724243 MTPJLAZKUICSER-UHFFFAOYSA-N 400.479 0.565 30 20 HCED N#CCCN(CCN1CCOCC1)CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 532987627 IPCDFSXTXLOCEN-UHFFFAOYSA-N 417.466 0.654 30 20 HCED COc1ccc(C(=O)NCCN2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1 533062472 JYCPOKPDIWFFKT-JOCHJYFZSA-N 413.522 0.851 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)C1=O 536443821 KFURNQGUNOHTQZ-CYBMUJFWSA-N 402.382 0.414 30 20 HCED COC(=O)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccc(O)c1 539409922 KSAXLJJHMNWPOW-YVEFUNNKSA-N 417.443 0.961 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 540102698 DYICWOPNAIQCCZ-YXAMBPQSSA-N 411.418 0.719 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)n1 540269606 SRFMNAYKVZFVKM-AWEZNQCLSA-N 402.455 0.372 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3cc(C(N)=O)no3)n2)c(Cl)c1 543932564 GUCWMIYMYFSXNV-UHFFFAOYSA-N 413.781 0.739 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCOC2)sc(=Cc2ccc(C#N)o2)c1=O 548618266 BLXRCKPPGCWHIF-CYBMUJFWSA-N 413.455 0.520 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCCN3CCCC3=O)CC2)c(F)c1 550302503 WDSIEMMLWQUCJP-UHFFFAOYSA-N 401.442 0.475 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 550799528 NOCGDDUBUQYUFF-UHFFFAOYSA-N 416.463 1.158 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CCOCC2)C1=O 555740348 BASKLNLFYBXWBO-IBGZPJMESA-N 414.506 0.380 30 20 HCED CN(C)S(=O)(=O)N(CC#N)CC(=O)Nc1ccc(I)cc1 555956548 ZMZNCFNBIKRNQL-UHFFFAOYSA-N 422.248 0.862 30 20 HCED COc1ccc(CN2CC[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)C2=O)c(OC)c1 561548899 QNIBLJDPEPGMSH-XJKSGUPXSA-N 410.496 0.731 30 20 HCED C=CCCOCCNC(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 561743538 PGYIXRQXDWIDAU-OALUTQOASA-N 414.506 0.410 30 20 HCED Cc1ccoc1C(=O)NCCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 564466983 RRTOLTCVAOQEBO-UHFFFAOYSA-N 421.417 0.915 30 20 HCED CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 565622912 VZYVNBQVJGEAHP-WMLDXEAASA-N 414.462 0.575 30 20 HCED N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1Br 568906519 CLACNMSMHYBVCQ-LLVKDONJSA-N 415.269 0.539 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3nnc4n3CCCCC4)CC2)n1 571825372 LUNDQIKTYPRQNL-UHFFFAOYSA-N 422.493 0.279 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C#N)c(Br)c1)c(=O)n2C 575090793 MBHKGXDXSRJFKY-UHFFFAOYSA-N 417.223 0.707 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 577094793 CCLXZQFRARGGPA-MSOLQXFVSA-N 423.473 0.415 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(C4CCC4)CC3)C2=O)cc1 577139312 QTERHVGZVYCKCB-IBGZPJMESA-N 409.490 0.472 30 20 HCED COC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 577683177 BDTCQVWNTKDQJI-UHFFFAOYSA-N 417.491 0.827 30 20 HCED Cn1ccc(CCNC(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 580978189 QOJPWFUCAYBZLU-UHFFFAOYSA-N 423.433 0.547 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)CC1 583960656 NSIBCTNARIYFNQ-HKUYNNGSSA-N 416.522 0.104 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1 585685515 PLMWVVWMEDLEOM-LJQANCHMSA-N 417.485 0.419 30 20 HCED N#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 589400160 LMOMKAAWXXNSPQ-UHFFFAOYSA-N 415.313 0.832 30 20 HCED Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 604196078 IPOZWPBCWDUELM-ZDUSSCGKSA-N 418.479 0.574 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)cc2)c1N 608924859 QWSACPPPMBRFGL-UHFFFAOYSA-N 421.461 0.233 30 20 HCED CC[C@@H]1CN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1CCOC 609768339 KQULCRJQEGGAQC-QGZVFWFLSA-N 408.524 0.748 30 20 HCED C=CCn1c(SCC(=O)NC(=O)N2CCC[C@H]2C(N)=O)nnc1-c1ccncc1 610217005 AINQTGCAZWHAGB-ZDUSSCGKSA-N 415.479 0.804 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCO[C@H]([C@H]2CCCO2)C1 613104216 BWYBNWGFCAFPPD-CVEARBPZSA-N 410.434 0.792 30 20 HCED CN(CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)S(C)(=O)=O 617013734 CFOUIGVTEFOQNX-MRXNPFEDSA-N 407.496 0.240 30 20 HCED C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 619741782 YUMSBZYLEMCERD-UHFFFAOYSA-N 421.483 0.968 30 20 HCED C#CCOc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 741686474 KUHVUDLRPJNHEU-UHFFFAOYSA-N 401.444 0.975 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1CCOCC 743726129 FOEYFLIZFKWJOX-UHFFFAOYSA-N 406.533 0.741 30 20 HCED C[C@@H](CC(=O)OCCOCCn1cccn1)/N=C1/NS(=O)(=O)c2ccccc21 744104449 LWISYCRBEINWFR-AWEZNQCLSA-N 406.464 0.960 30 20 HCED Cc1cccc(O[C@H](C)C(=O)N2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)c1 746414882 NHTUIPLPTROIRU-MRXNPFEDSA-N 424.461 0.792 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCCNc1ncccc1C#N 747805849 CIAVOMZSAZSARI-LBPRGKRZSA-N 406.468 0.626 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 757146659 BYPOHIXPTPLXOG-BLLLJJGKSA-N 413.463 0.115 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2ccnn2C)c1=O 758078547 PGHGWJCGEYZPLN-RHSMWYFYSA-N 409.515 0.474 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1CCOC 762989374 IOCOPVBQPKYOQK-UHFFFAOYSA-N 420.853 0.469 30 20 HCED COc1cc(C#N)ccc1CN1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 766914928 YDSVWBDEGPLKPR-INIZCTEOSA-N 413.521 0.201 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 772155594 SDGZRNLXHJIRKJ-ZDUSSCGKSA-N 411.484 0.463 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCCC)c2=O)cn1 772274253 CWZHVRYGSKQCNT-UHFFFAOYSA-N 413.503 0.369 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 773399262 XMSIOSPKOJQPHR-UHFFFAOYSA-N 407.492 0.910 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 778964818 WXQCVOQIGLYZAX-GZWQCKSXSA-N 422.507 0.858 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(CCC(=O)N(C)C)CC1 780064745 MFSWAHCRMKWNOE-OAHLLOKOSA-N 401.467 0.538 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CCN2CCNC(=O)C2)C1=O 781104067 KLQZXKLJFKJXKN-HNNXBMFYSA-N 419.507 0.195 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 783348020 VGORPVAMKVMTKP-OKILXGFUSA-N 410.496 0.351 30 20 HCED CC(C)(C)OC(=O)CNC(=O)CON=C(N)c1ccc(N2CCC(O)CC2)cc1 784050689 KXBHAGHJEYECHV-UHFFFAOYSA-N 406.483 0.743 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)c1 790958909 TZPLWSRMTSJTMZ-HNNXBMFYSA-N 409.446 0.989 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NN=c2nc3[nH][nH]cc-3c(O)n2)C1 794508186 SDNNYNPKOCNTMP-NSHDSACASA-N 418.458 0.593 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N(C)c1nccs1 801287996 LXFUYCSVIMIHTJ-LLVKDONJSA-N 408.461 0.888 30 20 HCED CN(Cc1ccccc1NC(=O)C(=O)NCC(=O)NCC#N)C(=O)OC(C)(C)C 807401964 AZIVJPXHXKUXKE-UHFFFAOYSA-N 403.439 0.748 30 20 HCED C#CCn1ccnc1C=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 807943792 KYNVWGUUBCTQLY-UHFFFAOYSA-N 418.435 0.891 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 808329090 YNTARMCXKLWRRR-HOTGVXAUSA-N 415.560 0.950 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 808719413 FPZWPOOZLLOOPV-UHFFFAOYSA-N 401.506 0.727 30 20 HCED C#C[C@@H](CC)Oc1ccc(COC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cc1 816047135 WVDGVRCOZAFYBJ-HNNXBMFYSA-N 410.430 0.968 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCCN1C(=O)c2ccccc2C1=O 821731594 CKCBKFKQIJREAR-UHFFFAOYSA-N 413.411 0.565 30 20 HCED 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C[C@H](S)C(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813042962 FHRNDUORLDVGRI-XAYKYTGQSA-N 402.476 0.331 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H](CNC(=O)COc2cccnn2)[C@H]1c1cccnc1 1813390874 HEFAGJWPVKPWHM-FOIQADDNSA-N 409.402 0.044 30 20 HCED C#CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)[C@@H](C)NC(=O)NCC)sc2C1 1819683371 SPASMGMTNNYTAQ-JHJVBQTASA-N 421.523 0.801 30 20 HCED CN(CC(=O)Nc1cc([C@H]2CCCCN2C(=O)C#CC2CC2)[nH]n1)C(=O)C(=O)O 1821712720 GLIPYDCSFVMGHM-CQSZACIVSA-N 401.423 0.358 30 20 HCED N#Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)cc1 1829627258 BGVHSWAOGVSNBA-JOCHJYFZSA-N 423.473 0.984 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2ccc3ncnn3c2)CC1 1830158412 VBXRSKDUHJBLBF-SFHVURJKSA-N 423.473 0.980 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)n(C)n1 1831485267 AVUOPDRKTXIJNV-LPHOPBHVSA-N 410.540 0.753 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1831499283 TWOGLMOZSFPRJK-HYIIBOEBSA-N 408.524 0.834 30 20 HCED COc1cccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](C)S)C3)C2)n1 1832826043 KVRXTDNDXKIVQH-FOIQADDNSA-N 423.535 0.798 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(OC)c(F)c1)CCO2 1833488191 DSHKPPGMONGYDD-FQEVSTJZSA-N 405.426 0.713 30 20 HCED C=CCSCC(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CNC(=O)O3)CC2)CC1 1833704939 MXTHKYMENSONRV-INIZCTEOSA-N 410.540 0.586 30 20 HCED Cc1nocc1C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1834338744 XDCLHNOHJDBEET-JFOGYLRVSA-N 416.434 0.765 30 20 HCED CCn1nccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1834419008 QSVOVYUJIKKPMF-HXUWFJFHSA-N 401.467 0.667 30 20 HCED C=C(C(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2)C(F)(F)F 1834609163 JHEMLLKOIUBKCY-QGZVFWFLSA-N 416.352 0.828 30 20 HCED C[C@@H](NNc1ccccc1)C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834753370 HSJPKZQTBBDZLO-UZLBHIALSA-N 401.467 0.362 30 20 HCED C=CCO[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)c3[nH]nnc3C)CC2)CC1 1834931899 ZBRKTLOSZVRKMC-OAHLLOKOSA-N 404.515 0.889 30 20 HCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)COc3ccccc3C#N)C2)C1 1834977653 SPECOQCDPSTTIN-HXUWFJFHSA-N 403.435 0.040 30 20 HCED C[C@@H](S)C(=O)N1CCC(N2CCC(NC(=O)c3cc(O)nc(O)n3)CC2)CC1 1835077699 MSOJCVOWVBMHJR-LLVKDONJSA-N 409.512 0.391 30 20 HCED Cc1c(C(=O)N2CCOC[C@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)cnn1C 1835097077 RFALIZLRHZDBMX-QHCPKHFHSA-N 422.485 0.850 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)CCN3CCCCC3)CCO2)C1 1835128947 TTZFJSHQZJLSJC-NRFANRHFSA-N 406.527 0.869 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)noc3C)C2)C1 1837394405 AAOPMHVZYMPSEI-IERDGZPVSA-N 421.494 0.935 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1837795371 WGZMGWZCURJDRC-HNNXBMFYSA-N 407.515 0.996 30 20 HCED C=CC[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC[C@@H](N)C(N)=O)CC2)CC1 1837882770 MRJFSFQUUMHIFO-CRAIPNDOSA-N 408.543 0.790 30 20 HCED C[C@H](NC=O)C(=O)N1CCC(OC2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1838548939 MLWXRMOTQGNRNH-AWEZNQCLSA-N 401.467 0.633 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CNC(N)=O)CC2)CC1 1838654161 ZKTNERANWRORFF-CQSZACIVSA-N 411.503 0.454 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c[nH]nc3C)CCO2)C1 1838680955 QVLPDRGFHCNTRO-JXFKEZNVSA-N 406.483 0.361 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@@]3(CN(C(=O)c4cccc(C#N)c4)CCO3)C2)n1 1838906638 WCCJFYYGQAOPOO-HXUWFJFHSA-N 410.434 0.071 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc(F)cc3)CCO2)C1 1838953614 GIAHIYVQXVVHCI-IIBYNOLFSA-N 404.438 0.934 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nn3)C2)C1 1839224845 ZRAVAGJDDKRNDH-LIRRHRJNSA-N 421.454 0.053 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(-n3cncn3)c1)CCO2 1839437848 UIRYZCIYBXQDEJ-QFIPXVFZSA-N 423.473 0.751 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CCC(=O)OC)C2)C1)C(F)(F)F 1839892373 KLMDJKVGFARXNP-MRXNPFEDSA-N 408.373 0.515 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1840156539 QMLHVLUWYSLTDS-LIRRHRJNSA-N 423.491 0.912 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnccn3)CCO2)C1 1840484310 LJDAAHUIPVSOGG-HCIHWQEHSA-N 416.478 0.537 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCS(C)(=O)=O)CCO2)C1 1840550786 QOUHNAZVGUWQFX-CRAIPNDOSA-N 402.513 0.090 30 20 HCED COC(=O)C1(C(=O)N2CCOC[C@@]3(CN(C(=O)C4(C#N)CCC4)CCO3)C2)CC1 1840816053 NJDZOMOTIPZVGN-LJQANCHMSA-N 405.451 0.090 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cccnc1CS(C)(=O)=O)C2 1841599323 VDLXMKNWPXFEFX-HNNXBMFYSA-N 419.503 0.482 30 20 HCED N#Cc1cccc(CCC(=O)N2CC3(CCCN3C(=O)[C@H](O)N3CCOCC3)C2)c1 1844293305 BPTFDGCIXHTNIJ-FQEVSTJZSA-N 412.490 0.345 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CNC(=N)N)C2 1847080998 YQVAWSKTUFTBFC-ZUOKHONESA-N 420.514 0.142 30 20 HCED CNC(=O)c1cccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)c1 23135651 ODVHIQXEVNOANN-UHFFFAOYSA-N 400.460 0.855 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)Sc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 25645542 ZEXHAJWNMIWMTA-KGLIPLIRSA-N 424.527 0.786 30 20 HCED COCCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)CC(C)C 26450181 KJWUAAUPJSVFDC-UHFFFAOYSA-N 422.551 0.996 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)C3CC3)CC2)cc1 43308128 QQBHEMUMIMVXHV-UHFFFAOYSA-N 405.480 0.100 30 20 HCED CS(=O)(=O)Nc1nnc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)s1 57269435 HVLJSMHODQTAFI-UHFFFAOYSA-N 415.478 0.335 30 20 HCED COc1ccc(NC(=O)CN(C)C[C@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 143260930 LRHAJFSXZOXJPW-CQSZACIVSA-N 410.496 0.746 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(CS(N)(=O)=O)CC3)C2=O)cc1 409670934 XVKDJHVLKGGHKK-KRWDZBQOSA-N 419.507 0.369 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N(CCO)Cc2cccc(Br)c2)CCO1 410410674 IQPXQKNWGWDIAN-AWEZNQCLSA-N 404.286 0.713 30 20 HCED COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 426560659 RDEJEOOCQRAHDD-AEFFLSMTSA-N 410.478 1.266 30 20 HCED C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CC[C@H](Oc2ccc(C#N)cn2)C1 428791179 CMJYBGUXNRTGTI-WMZOPIPTSA-N 407.478 0.934 30 20 HCED Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)no1 433535064 UDSOUYZAQYFEML-UHFFFAOYSA-N 414.397 0.715 30 20 HCED NS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 440383688 PTKWFACXPZYZKQ-GOSISDBHSA-N 412.471 0.699 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(CC)Cc2cn(C)nn2)cc1 441629068 BYABLLXWGZJVEE-UHFFFAOYSA-N 420.495 0.609 30 20 HCED CCn1cc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c([N+](=O)[O-])n1 443422803 OGSPJMCGQZLXTL-UHFFFAOYSA-N 402.396 0.795 30 20 HCED CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC1CCN(CC#N)CC1 444086605 QWCDSMCRVHVRGP-UHFFFAOYSA-N 400.526 0.451 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ncn(Cc3cccc(F)c3)n2)n1 445214625 VBAIZFOUQZLRKA-UHFFFAOYSA-N 410.413 1.369 30 20 HCED COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1nn(-c3ccc(C#N)cn3)cc1C)CC2 460586442 XMQWQRXGKQZHCM-HNNXBMFYSA-N 422.445 1.188 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)c1 470395941 BIGHFDUVZYMASS-RDJZCZTQSA-N 412.508 0.637 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)cc1 473972683 YKGBVHDLCSQBQO-SFHVURJKSA-N 423.535 0.714 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 476212073 XRVKVRULMZRJHB-UHFFFAOYSA-N 401.485 0.581 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 481807450 LKZWTBCHTZEFCX-WBVHZDCISA-N 408.524 0.794 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(Cc2ccon2)CC1 482427111 OMKYZJBBKCSVOR-AWEZNQCLSA-N 403.464 0.557 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCC(C#N)CC2)cc1C 485372009 HYQCJWKUEAPNCN-QGZVFWFLSA-N 406.508 0.978 30 20 HCED COc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c1 496758212 WOOXBJGXNNMSJK-UHFFFAOYSA-N 421.425 0.838 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1 498560086 MICBAFVPXHFUGF-UHFFFAOYSA-N 404.448 0.939 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1=O 500497167 SEURXKWFPXDSLO-INIZCTEOSA-N 421.475 0.658 30 20 HCED COC(=O)Cn1cc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cn1 501888039 GFXCSQCCPWJPDU-QGZVFWFLSA-N 403.464 0.627 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 502232850 MTZBQKCOMAWVEW-OALUTQOASA-N 409.490 0.472 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)CS(=O)(=O)c2ccc(C)cc2)C1=O 508104076 IOHPTPSPNPZDKM-RDJZCZTQSA-N 421.519 0.519 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 508815164 YGUHLGKUUAPZIA-HOTGVXAUSA-N 412.560 0.623 30 20 HCED C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508948767 FOOFQQUDMRBOSO-INIZCTEOSA-N 410.478 0.807 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C1CCN(C)CC1 513057198 KNOCLIOEWDRXMR-UHFFFAOYSA-N 411.531 0.599 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC(=O)N(C)C1=O 513944086 JXZGOBGFAMLQEW-SWLSCSKDSA-N 406.464 0.221 30 20 HCED CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(=O)Nc1cccc(C#N)c1 523045991 GVEKEIXDAIDACE-UHFFFAOYSA-N 416.459 0.426 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 531706856 CDZWUERBHJCJIV-BJJXKVORSA-N 413.521 0.697 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N(C)CCCO)CC1 534727484 NANDJORDZMQLHZ-OAHLLOKOSA-N 408.524 0.530 30 20 HCED C=CCOc1cccc(CN2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c1 538738342 PCCRJVMYYHLFSG-SFHVURJKSA-N 407.536 0.672 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)C1=O 551528420 SCTGTIBOEPMLNL-UHFFFAOYSA-N 414.462 0.753 30 20 HCED CN1CCC(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 552622389 QZAAESXZADXEOO-IBGZPJMESA-N 411.506 0.623 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 552867304 IMHYELILNAPYLJ-XLIONFOSSA-N 414.506 0.549 30 20 HCED CCNC(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 554961953 FWHRPBNGEQZJQV-UHFFFAOYSA-N 416.459 0.990 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cccnc3)CC2)c(F)c1 556089545 VOXKSEVEWJBNGO-UHFFFAOYSA-N 424.436 0.287 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)Cc3ccccc3S(C)(=O)=O)CC2)c1C#N 556438086 ORBQMIGCSAXDFH-UHFFFAOYSA-N 401.492 0.895 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCO[C@]4(CCOC4)C3)C2)c(F)c1 558040520 LIYMUWZITPMJNN-IIBYNOLFSA-N 416.453 0.800 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1=O 558728931 HLINBWXWKUUJEA-MRXNPFEDSA-N 412.446 0.313 30 20 HCED COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 562775935 YWTJAEIZXKDRJC-QGZVFWFLSA-N 407.430 0.890 30 20 HCED CN(C)CCOc1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccn1 578267918 GQKZNXZEAZFNMD-UHFFFAOYSA-N 417.491 0.488 30 20 HCED Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1C#N 578943564 NKTQDEJQDOQKTN-UHFFFAOYSA-N 420.476 0.094 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccnc(-n4cccn4)c3)CC2)nc1 579213465 CCWKTMAXMLXZRO-UHFFFAOYSA-N 416.445 0.499 30 20 HCED C[C@@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(-n2cncn2)cc1 585689998 KTUVVRVQUFDFGG-CYBMUJFWSA-N 421.465 0.713 30 20 HCED C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654931 VHFOERNDQGMHDW-MRXNPFEDSA-N 414.510 0.217 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 588124803 LBUWTNGZZKBSAF-KRWDZBQOSA-N 416.457 0.652 30 20 HCED C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC1CCN(CC#N)CC1 588127389 FTWVCAOWEVSAPD-SFHVURJKSA-N 412.538 0.417 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CC(N)=O)c2=O)c1 589158649 GXTINOHQWGYEML-UHFFFAOYSA-N 413.499 0.912 30 20 HCED C=C(C)CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 592076622 QIBDHXWAVGCVQB-UHFFFAOYSA-N 410.540 0.816 30 20 HCED CN1CCC[C@@H](N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)C1 609665370 LNSGNQHLGLOFPN-GOSISDBHSA-N 419.551 0.731 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)cc1 609951986 OBYDDHSSAVMAQD-UHFFFAOYSA-N 411.480 0.890 30 20 HCED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 611224186 DFMIYTKEZZCQOK-AWEZNQCLSA-N 423.429 0.736 30 20 HCED CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 619567602 CTTYXGNJNOKDJF-LJQANCHMSA-N 413.522 0.999 30 20 HCED COc1ccc(C)cc1N1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 731861129 LUAPIAQBNXYRTP-MPHHAOFMSA-N 412.446 0.999 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733183230 FNHPNFQICZHYAX-GFCCVEGCSA-N 401.510 0.397 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)ccc1OC 733278249 RSXMFXUTFYYALP-CQSZACIVSA-N 421.479 0.704 30 20 HCED CN1CC[C@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 737242266 RKTQEXLINUBXPK-CHOFAJOMSA-N 421.523 0.506 30 20 HCED CN(CC(=O)NCc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 737963361 HCQLDDMHOZGLTI-UHFFFAOYSA-N 414.487 0.890 30 20 HCED C[C@H](CC(=O)NCCCN1C(=O)CCC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742641827 GVQDVISFKSFBIM-GFCCVEGCSA-N 406.464 0.159 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 745355944 FPEMNRIXPFRKEX-SJKOYZFVSA-N 413.500 0.301 30 20 HCED CN(C)C(=O)CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 745981074 LHTIWTKXFNIYRK-UHFFFAOYSA-N 400.460 0.847 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 755495617 ZWEYJCCHOGAGLN-HNNXBMFYSA-N 422.507 0.929 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)ccc1=O 755538863 VPMZRBVUSBCOTR-GXTWGEPZSA-N 403.439 0.682 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 755553630 RFFQWGOEYKISTK-QWHCGFSZSA-N 401.427 0.611 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2=O)cn1 758765619 ZDVGVJYWTLTNSE-ZFWWWQNUSA-N 417.470 0.537 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 761030396 GXWMJCJEXXEVJF-CQSZACIVSA-N 407.496 0.057 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1 761038506 VTAJZBWJAWOOCK-KRWDZBQOSA-N 419.551 0.699 30 20 HCED CC(=NNc1ccc(-n2ccnc2)nn1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 761831521 QRCQCOJYKXMABP-UHFFFAOYSA-N 415.435 0.861 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1cccc(OCC#N)c1 763023314 NIQRRKPVIDPXFM-GFCCVEGCSA-N 402.432 0.993 30 20 HCED C=CCN(CC(=O)OCC)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 765222127 NTPDIYHDOPBGCW-UHFFFAOYSA-N 411.480 0.244 30 20 HCED CS(=O)(=O)NCC(=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 766711245 KCFAMCHZTWFDPW-UHFFFAOYSA-N 412.449 0.827 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCn1nnc2ccccc2c1=O 766979546 ZKXRJWGDZULGSH-UHFFFAOYSA-N 413.415 0.567 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N(C)CC(F)(F)F 767680097 LAMISAUODZGNFR-JTQLQIEISA-N 407.370 0.789 30 20 HCED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 770868404 IZAPBURITBZALW-HNNXBMFYSA-N 402.432 0.646 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCOCC)c2=O)cn1 772301260 CYOYQAJYCYPMRU-UHFFFAOYSA-N 401.492 0.271 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)c1 772792756 LSWQIQUCZUQNCG-WBVHZDCISA-N 410.492 0.084 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H]1O 774407594 XEWZKDNHNUITHX-NMXWQETNSA-N 408.480 0.277 30 20 HCED C#C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)[C@@H]1CCCO1 776160676 DLKRFOGBWLBRDN-IRXDYDNUSA-N 408.476 0.754 30 20 HCED C#CCCN1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 780535930 KIESIAFHIFUOLY-AEFFLSMTSA-N 409.483 0.117 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc2ccn(CCOC)c2c1)[C@@H]1CCS(=O)(=O)C1 783479558 DCUIKHQUFZNVIE-QGZVFWFLSA-N 417.487 0.875 30 20 HCED CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 787068390 WJUYLIYYWYTYEC-CYBMUJFWSA-N 408.418 0.662 30 20 HCED COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)cc1 789402781 HBPXKUWNHVVJFE-CQSZACIVSA-N 409.402 0.545 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NN1C(=O)c2ccccc2C1=O 789805738 ILQBHMOWOGNDGZ-UHFFFAOYSA-N 412.427 0.833 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(=O)o[nH]1 790076628 IQCVZLQLGKNVBG-GFCCVEGCSA-N 407.452 0.175 30 20 HCED Cc1cccc(=O)n1C[C@](C)(O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 792320496 DENQJTSXIZOJBI-AVYPCKFXSA-N 404.467 0.783 30 20 HCED C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCn2cnc(C#N)n2)c1 795184725 QYLUBLMSIGFHPN-OAHLLOKOSA-N 407.459 0.899 30 20 HCED N#C[C@@H](C(=O)CCn1cnccc1=O)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 796763851 MXCQLVKBUNETEN-NSHDSACASA-N 413.346 0.660 30 20 HCED COC(=O)CN1CCN(c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)CC1 797538842 OSJZWUJZIDMSSG-UHFFFAOYSA-N 413.478 0.730 30 20 HCED C=CCN1CC[C@H](OC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1=O 798606062 SBEYJHKEKZPCGV-ZDUSSCGKSA-N 414.505 0.837 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 799269691 JRZRJEHUBIWCJC-DOMZBBRYSA-N 401.423 0.890 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 807664392 JEQDIJMTPMICPC-UHFFFAOYSA-N 421.502 0.674 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COc2ccc(F)nc2C#N)CC1 808046285 LWYNHFPSEYARTP-UHFFFAOYSA-N 423.426 0.609 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)N2CCN(C(C)=O)CC2)c1 820844267 CPCODOKWKOLWAL-CQSZACIVSA-N 423.491 0.387 30 20 HCED N#CCN(C(=O)COC(=O)CCNS(=O)(=O)c1cccnc1)c1ccccc1 914905542 JFORPKLXNHOJDU-UHFFFAOYSA-N 402.432 0.850 30 20 HCED N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cn1nc(-c2ccccc2)ccc1=O 1124723457 MSYACWHRHOLGAO-UHFFFAOYSA-N 405.418 0.980 30 20 HCED C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 1611767785 SWTYECIJFJGJLS-RDTXWAMCSA-N 421.527 0.395 30 20 HCED COc1ccc(CN(CCO)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1636677925 XETOFJFWPKJCRH-UHFFFAOYSA-N 403.460 0.866 30 20 HCED Cn1c(N2CC[C@H](Oc3cncc(Br)c3)C2)c(C#N)c(=O)n(C)c1=O 1642863156 UOZCOKHUHAYVHR-NSHDSACASA-N 406.240 0.771 30 20 HCED COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCO1 1697889598 PDMQYWKDSUSZNB-MRXNPFEDSA-N 405.480 0.713 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCOCC1 1698061246 NKYJHKDRYVHYRG-INIZCTEOSA-N 411.528 0.973 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1741477852 HUWXLKNQKYJHAQ-SFHVURJKSA-N 415.542 0.902 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOC[C@H]1C 1741904831 PTRXFQRCPJJAJF-ZNMIVQPWSA-N 413.548 0.347 30 20 HCED CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1769363784 HVWXFJMDEWPNSR-UHFFFAOYSA-N 409.516 0.193 30 20 HCED COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1ccn(C)n1 1771109232 JMENBKUDDNOBKU-UHFFFAOYSA-N 400.487 0.857 30 20 HCED Cc1ccn2c(=O)c(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@@H](C)S)CCO4)cnc2c1 1777996617 OBPOLGSMJKLXBJ-JLTOFOAXSA-N 416.503 0.765 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H](C)OC(=O)OCC)CCO2)C1 1778974506 QQVHXJZOIAIVKH-AVYPCKFXSA-N 412.483 0.951 30 20 HCED Cc1nn[nH]c1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779104824 ONRCDLZCEKYYGE-XLJFCMABSA-N 406.443 0.086 30 20 HCED O=C(CCN1CCOC1=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136788 UFCQNCMGGAAHHL-JLDPKJTDSA-N 418.450 0.371 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCOC1=O)C2 1779330012 GJIHTQFPYBAAJR-GCKMJXCFSA-N 423.510 0.526 30 20 HCED CCS(=O)(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781960946 BVZYTTWEVJBLOQ-LJQANCHMSA-N 423.466 0.576 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)n2cnnn2)C1 1782596171 QOOHZMMCEYBTOY-LUXYFRNMSA-N 410.544 0.702 30 20 HCED C=C(C(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCS3(=O)=O)C2)C1)C(F)(F)F 1782960961 LNMJBKFYUIWTGH-SWLSCSKDSA-N 410.414 0.512 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN1CCN(C(C)=O)CC1)C2 1783165431 GDCMPETXBUHQCP-DENIHFKCSA-N 418.538 0.078 30 20 HCED O=C(O)C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)CCc1c[nH]c3ncccc13)CCO2 1783568106 MHKQZMDOEZQXCA-OAQYLSRUSA-N 410.430 0.413 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)CN3CCCCC3=O)C2)C1 1783758312 KZENVBKZYOQDIV-OXJNMPFZSA-N 408.499 0.630 30 20 HCED C#CCCCC(=O)N1CC[C@]2(C1)CN(C(=O)CNC(=O)c1cc(C)on1)CCO2 1783907898 XIZXGLHCVHBZNB-FQEVSTJZSA-N 402.451 0.346 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(CCN(C(=O)CNC(=O)C(F)(F)F)C3)C2)CCC1 1783982530 KORAEFZQTHSGMO-MRXNPFEDSA-N 402.373 0.189 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3nc(C)cc3C)C[C@@H]21 1784479181 ZNABKGWKKDGTNB-XWSJACJDSA-N 402.495 0.518 30 20 HCED C#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CNC(=O)c3cccs3)[C@H]2C1 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404.515 0.441 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3coc(Cl)n3)CCO2)C1 1833552073 IGBSCUCAPXDZAX-UGSOOPFHSA-N 413.858 0.989 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)c3cccnc3C(N)=O)CC2)CC1 1833921219 DHVKBTKRBXOPSJ-UHFFFAOYSA-N 411.506 0.779 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(O)cn3)CCO2)C1 1834587589 STJYAIGITDXSQU-LAUBAEHRSA-N 419.478 0.430 30 20 HCED CC(C)(O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1835271918 PZBAPKFRLCPKKR-NRFANRHFSA-N 419.453 0.928 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4cnc5ccccn45)C3)C2)CC1 1835338626 NSJCMGGNLLMQQF-QFIPXVFZSA-N 423.473 0.637 30 20 HCED Cc1cc(/C=C/C(=O)NC2CCN(C3CCN(C(=O)C#CC(=O)O)CC3)CC2)no1 1835778828 ISWSNRPULMXVLF-NSCUHMNNSA-N 414.462 0.656 30 20 HCED N#Cc1cccc(C(=O)NC2CCN(C3CCN(C(=O)C(O)O)CC3)CC2)c1Cl 1836128394 XBAIJLRJSKJADZ-UHFFFAOYSA-N 420.897 0.708 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1837492772 SCVSHUPUHNIDCR-HXUWFJFHSA-N 408.470 0.644 30 20 HCED 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N#Cc1ccc(S(=O)(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1Br 433886124 APWATACFUIQNCZ-JTQLQIEISA-N 409.283 0.413 30 20 HCED C=CCCN(C)C(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 435318060 FIVBPEPVWPQFAS-AWEZNQCLSA-N 411.480 0.735 30 20 HCED CN1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc(F)cc3C#N)CC2)CC1 435663735 PJRGLFHOYGOVPG-UHFFFAOYSA-N 401.442 0.648 30 20 HCED Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)C[C@@H](C)C#N 437408105 HKROXAVXUHIBHZ-ZDUSSCGKSA-N 408.480 0.573 30 20 HCED CCOC(=O)c1cc(C)sc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 441590946 YELYXQWXJGCTJW-UHFFFAOYSA-N 404.452 1.098 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)NCCOc2ccc(C#N)cc2)c2ccccc2O1 442255596 FWBKQQQWJXSRLL-GOSISDBHSA-N 408.414 0.593 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1 460730571 VPWKTUZKYWLXEU-IRXDYDNUSA-N 407.478 1.329 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cc(F)ccc2C)c1=O 477218234 HGLZPBZYBHHMDQ-UHFFFAOYSA-N 401.463 0.809 30 20 HCED CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)C(=O)N(C)Cc1nnc2n1CCC2 480589335 PJDAVGQKIJTMQU-KRWDZBQOSA-N 417.495 0.452 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(CC(=O)N(C)C)n1 481284220 IWGMAKXCVGBUBS-GFCCVEGCSA-N 404.452 0.148 30 20 HCED C=CCCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 488147962 LJRZMHIKFMEYCO-CQSZACIVSA-N 411.528 0.422 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 488659856 KXRIELYJLYXZEO-QGZVFWFLSA-N 424.461 0.647 30 20 HCED CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 490049542 ODMNOGUBJLKRRG-CQSZACIVSA-N 422.488 0.703 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](N(C)C)C2)cc1 490633816 XRKDSNYAJVFSSO-INIZCTEOSA-N 408.524 0.984 30 20 HCED C[C@@H]1CCC[C@H](CO)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501030252 VCMIEEIDVBJLTL-SJLPKXTDSA-N 420.535 0.626 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2C)c1=O 507080385 UMLDZGTVKAHQJF-UHFFFAOYSA-N 401.463 0.809 30 20 HCED N#Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1 508037676 LXAMMOYQUPEHFP-UHFFFAOYSA-N 411.443 0.599 30 20 HCED C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 508809771 NCTOUNDSVPYKEZ-GOSISDBHSA-N 423.521 0.734 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 508960666 RYAFPVLPMHYGPC-UHFFFAOYSA-N 408.340 0.645 30 20 HCED CCN(C(=O)Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1)c1ccccc1 508986941 LBQXEBPDHZJAAE-UHFFFAOYSA-N 421.457 0.977 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 510344158 VDGHPBYMMKPTCO-OAHLLOKOSA-N 409.487 0.953 30 20 HCED C=CCN1CCC(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 517341289 NHSNFWZNRZJBTA-UHFFFAOYSA-N 411.484 0.823 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 521553256 ZLCRYANWDMCTRH-UHFFFAOYSA-N 402.432 0.954 30 20 HCED N#Cc1ccc([C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(N)=O)cc1 523734706 DHYTWPCAKNNXPR-INIZCTEOSA-N 403.420 0.561 30 20 HCED CCOc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3CC)c2=O)c1 533120255 RVLPQCLSLLAVJA-UHFFFAOYSA-N 423.498 0.763 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 538169859 HJPLQNHCIDRXID-ZDUSSCGKSA-N 412.512 0.242 30 20 HCED COc1c(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cccc1C(N)=O 542073436 HJSVWGYPXJLXGL-INIZCTEOSA-N 421.457 0.969 30 20 HCED CN(CC(=O)OC(C)(C)C)[C@@H]1CN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1O 550652784 ADTBKCDEUKEZSY-BHIYHBOVSA-N 405.495 0.617 30 20 HCED Cn1c(=O)c2cc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cnc2n(C)c1=O 552898318 LVPZSEKQMFQTSE-CQSZACIVSA-N 406.402 0.192 30 20 HCED COCCN(CCC#N)S(=O)(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 554534811 KJOSUBHNHUKDEU-IBGZPJMESA-N 409.556 0.672 30 20 HCED COCC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555177511 RWSLQEHGAASDKT-MRXNPFEDSA-N 410.496 0.626 30 20 HCED C[C@@H](c1ccccc1)[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C(N)=O 563308683 WZSDINJBWQFQPR-LIRRHRJNSA-N 414.487 0.953 30 20 HCED CC(C)(C#N)CCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 568048916 BOACNXCPQZATGP-UHFFFAOYSA-N 400.526 0.580 30 20 HCED Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 572018849 KVWDXUBEFSJZEJ-UHFFFAOYSA-N 403.420 0.100 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCC(S(=O)(=O)N3CCCC3)CC2)nc1 577913963 DRSGQTOECUSGNF-UHFFFAOYSA-N 412.537 0.617 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCCN3CCC[C@H]3C(N)=O)CC2)c1C#N 579048606 XNAMWEPUJZQJPA-HNNXBMFYSA-N 405.528 0.495 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)N1CCCC[C@H]1C 580489391 HYSCCXHELIZMRM-KGLIPLIRSA-N 409.450 0.983 30 20 HCED CN(CCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)S(C)(=O)=O 604524570 YYHBHKYYPYFNJB-UHFFFAOYSA-N 401.510 0.775 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC 615256310 LOJNLFCMQHNXHF-UHFFFAOYSA-N 418.450 0.495 30 20 HCED Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)no1 619474679 QWPOVESJZXPWNH-UHFFFAOYSA-N 403.464 0.994 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 672510024 SEBKITQQOSAKJI-DOTOQJQBSA-N 409.508 0.796 30 20 HCED CC(=O)N[C@@H](CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1)c1ccc(C)cc1 732908386 JTNHYVRDAWKYRW-IRXDYDNUSA-N 405.476 0.528 30 20 HCED N#CCCNC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 733012825 DIZPBLMMHPIDNH-CQSZACIVSA-N 410.408 0.321 30 20 HCED N#CCn1cc(NC(=O)C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cn1 746382722 XYMPYZHOAPOTGY-KRWDZBQOSA-N 400.414 0.674 30 20 HCED Cn1nc(Br)c2c(=O)n(CC(=O)NC[C@H]3CCCN(CC#N)C3)cnc21 748321991 LNHMJVSWOGADHS-LLVKDONJSA-N 422.287 0.244 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 748547635 SKLUSBVHOFHCPQ-SFHVURJKSA-N 418.519 0.152 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(Cc3cccc(OC)c3)CC2)C1=O 748563096 ZYIFNYSKJKOCPP-UHFFFAOYSA-N 414.462 0.753 30 20 HCED CCN(CC)C(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748741711 CNRQXVKIBBZJOG-AWEZNQCLSA-N 424.548 0.885 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 749663859 NGMNZRITXYYPIY-CQSZACIVSA-N 416.453 0.588 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 755494104 SQSRWDRGUPHHED-FJGOLAJPSA-N 408.480 0.491 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2ccc3c(c2)CCO3)c1=O 758079445 JBQDIYSFBCCQQF-UHFFFAOYSA-N 407.495 0.897 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N2CCc3sccc3[C@H]2CC)CC1 761036350 DJEPAABOHWJWDK-MRXNPFEDSA-N 410.565 0.669 30 20 HCED Cc1ccc(F)cc1NC(=O)C=NOCC(=O)NCCCN(C)S(C)(=O)=O 762728017 ZDNXGPAWBMMTDJ-UHFFFAOYSA-N 402.448 0.473 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1CCCC(=O)OC 763447474 VFIACFWTHGMXAU-UHFFFAOYSA-N 414.487 0.007 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(Cc2nnn(C)n2)C1=O 783026261 RFDLVWZCIPEHBT-GFCCVEGCSA-N 407.431 0.626 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 783349874 CXIWQEORGFVYID-UHFFFAOYSA-N 416.459 0.989 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 784869061 TWMBGQRBUXAULQ-UHFFFAOYSA-N 405.476 0.806 30 20 HCED CN(C)S(=O)(=O)c1ccccc1NN=Cc1nc2c(c(O)nc(=O)n2C)n1C 793183256 UXRSKZREXHBMIA-UHFFFAOYSA-N 405.440 0.069 30 20 HCED COCCN1C[C@H](C(=O)OCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1=O 800132889 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Cn1cc(C#N)c(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)n1 1215497386 JMTVNHPUFWWGEA-UHFFFAOYSA-N 403.468 0.476 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCc2cccnc2N2CCN(C)CC2)CC1 1311761915 VWYUTUZOVSCEKN-UHFFFAOYSA-N 400.483 0.822 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(=O)OC)nn2-c2ccccc2)CC1 1318555092 LDVSSLJIDBQDPE-UHFFFAOYSA-N 423.473 0.556 30 20 HCED Cn1cc([C@H](O)CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1330070014 PAEOXXZVUYOZSA-GOSISDBHSA-N 417.491 0.542 30 20 HCED COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cc2nc3ncccn3n2)cc1OC 1342522239 UZQVBSXANZBJNW-CQSZACIVSA-N 408.418 0.752 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CCOCC1 1499164214 LJWPYDFJXOKAQS-OAHLLOKOSA-N 412.498 0.759 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1517627189 LWTLJLUGJWDQQC-HNNXBMFYSA-N 404.496 0.839 30 20 HCED COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cc1 1554930971 VPVILSLIKUTLNG-CZUORRHYSA-N 420.495 0.674 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)cc1 1555991465 UKQZCRZKPVPCQA-ROUUACIJSA-N 410.434 0.873 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[C@](O)(CC#N)C3)c2)CC1 1570694500 CPOZINONTRQOQM-LJQANCHMSA-N 420.491 0.030 30 20 HCED COc1cc(Br)c(CNC(=O)Cn2cc(C#N)c(O)nc2=O)cc1OC 1584775523 RXQVHKRURBDOCN-UHFFFAOYSA-N 423.223 0.917 30 20 HCED CCOC(=O)c1cnn(C2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)c1 1622154662 ZWWITQSJOLVXJD-UHFFFAOYSA-N 413.500 0.804 30 20 HCED C[C@@H]1CN(CCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1708245780 LTWXPUAXCFPOJX-IAGOWNOFSA-N 412.498 0.965 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1722543253 NKCZFUQLNZNFOI-SNVBAGLBSA-N 400.896 0.561 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCN1CCCO 1729071443 XBQOVFWEOQESFK-RTBURBONSA-N 417.558 0.838 30 20 HCED N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)CCO1 1731186936 UVOJXVXGZCROSZ-HNNXBMFYSA-N 422.511 0.068 30 20 HCED N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)CCO1 1731186938 UVOJXVXGZCROSZ-OAHLLOKOSA-N 422.511 0.068 30 20 HCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1761258541 ULICBEXHXCWYFA-QGZVFWFLSA-N 422.493 0.897 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cc1 1761500312 IOZJRWVCPOHVMD-DOMZBBRYSA-N 408.459 0.804 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC[C@H]1OC 1771111512 NRFPGLLEOPUGOI-HRCADAONSA-N 406.487 0.647 30 20 HCED CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)C1 1778121869 OSFPRPLIYUTPDY-NRFANRHFSA-N 418.494 0.987 30 20 HCED CC(=O)N(C)CCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@H]3CCCCO3)C2)C1 1779099943 QKDBSWLSPFMZGW-LAAGDHCCSA-N 424.498 0.214 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ncnn1C)C2 1779334479 YFCODCHMASMIGZ-BXTJHSDWSA-N 405.499 0.516 30 20 HCED COc1nn(C)cc1C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)ON=C(C)C)C2)C1 1781391816 XFUMWMFJDMXNEL-LIRRHRJNSA-N 407.471 0.673 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(O)ccc1O)C2 1782015355 MQZCXDDLTJIFMA-OXQOHEQNSA-N 402.403 0.313 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C[C@](C)(O)CC(=O)O)C2 1782187715 KQKYSYPSLMVXIJ-RUZGCFLTSA-N 402.513 0.434 30 20 HCED N#Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CN(C(=O)[C@H]3CCC(=O)N3)CCO4)c2c1 1782194640 LHQAAAUCSRTDPI-IIBYNOLFSA-N 422.445 0.157 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4ccncc4=O)C3)C2)cc1 1782664719 PIGRYORVSLANEU-JOCHJYFZSA-N 421.457 0.453 30 20 HCED O=C(O)C#CC(=O)N1CC[C@]2(C1)CN(C(=O)c1n[nH]c3c(F)cccc13)CCO2 1783564374 JJHPROAQMPSGQT-IBGZPJMESA-N 400.366 0.234 30 20 HCED C=CCC(CC=C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CNC3=O)C[C@@H]21 1784030588 GMFUYQQPPHXZIJ-ULQDDVLXSA-N 418.494 0.286 30 20 HCED O=C(C#CC1CC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C[C@@H]21 1784385529 SSWKUJKJNUCHCW-QFCUHJEHSA-N 403.479 0.909 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]21 1784539461 SSAMPXYSABPNSB-GVRJEKJASA-N 418.581 0.498 30 20 HCED CN1CCC[C@H]1C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1784827390 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CCS(=O)(=O)c1cccc(CNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c1 440162331 PYZPMBSRVIDOFE-UHFFFAOYSA-N 403.464 1.384 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)N(C(=O)NCC)CC3)C1=O 440261689 ZCJBXNVGVRAETE-MRXNPFEDSA-N 413.478 0.962 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCc3ccc(S(=O)(=O)NC)cc32)CC1 441822469 OWGYTWQLPZVRNK-UHFFFAOYSA-N 420.535 0.641 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 443742139 GLJCOZHYTGCWBR-UONOGXRCSA-N 403.468 0.406 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)NC)cc1 443780751 UCBQRIBBYCMJLB-UHFFFAOYSA-N 408.480 0.105 30 20 HCED C=CCN1C(=O)C(=O)N(Cc2nc(CC(=O)NCc3ccc(F)c(F)c3)no2)C1=O 445717257 BGCXYGBMBJLWHJ-UHFFFAOYSA-N 419.344 0.684 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 445848692 ILYWKBMHMMNJQT-HNNXBMFYSA-N 418.523 0.549 30 20 HCED CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 476553495 VLWPRYNZQYPHPK-IRXDYDNUSA-N 407.492 0.018 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 480839553 CBSLICQXILOHKY-HNNXBMFYSA-N 407.452 0.394 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC 481897940 VGCNGXBOIALRCR-KGLIPLIRSA-N 415.537 0.897 30 20 HCED CC(C)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 482154627 GDKMXKTTZVPSOC-VQIMIIECSA-N 421.567 0.613 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 488250454 PJJCBGOOKNTLJU-SFHVURJKSA-N 406.446 0.521 30 20 HCED CCN(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 488262605 KEZROAHHYDCUBF-IAGOWNOFSA-N 404.492 0.878 30 20 HCED Cn1cc(N2CCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CC2)cn1 491139805 FUKIKFYVEXJVDZ-UHFFFAOYSA-N 419.449 0.219 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C1CC1 497554558 GBGFPRTUWNGGKW-UHFFFAOYSA-N 404.517 0.747 30 20 HCED C[C@H]1CCC[C@@H](CO)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 501030253 VCMIEEIDVBJLTL-WMZOPIPTSA-N 420.535 0.626 30 20 HCED C[C@H](NS(=O)(=O)c1cccs1)C(=O)N(CCC#N)CCN1CCOCC1 502570108 OAKCPPYMHBTSQA-AWEZNQCLSA-N 400.526 0.489 30 20 HCED Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508414086 CQUQIFJAFFGSGQ-KRWDZBQOSA-N 416.507 0.985 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CNC(C)=O)C1 508886595 CFSFVKUOMNCIKU-AWEZNQCLSA-N 404.496 0.797 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1nnnn1-c1ccccc1 512600891 BCMVONXEXRGGPN-HNNXBMFYSA-N 418.465 0.787 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(-c3cccnc3)cc2)CC1 518242442 KQCMOJUPWJTROB-UHFFFAOYSA-N 421.501 0.811 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2C[C@H]2CCOC2)cc1 518403975 OTLGRCHBVDILPU-SJORKVTESA-N 423.477 0.979 30 20 HCED CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(F)cc(F)c2)c1=O 534404783 YTKUSDBGQOBHEA-UHFFFAOYSA-N 407.442 0.864 30 20 HCED C=CCNC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 538599368 ZXVOJHUCAHTXRM-UHFFFAOYSA-N 423.491 0.277 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)Cn1c(=O)c(I)cn(C)c1=O 539856532 WNBPJPPACDWOLG-VIFPVBQESA-N 404.208 0.160 30 20 HCED C[C@@H](NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)c1ccc(C#N)cc1 556036889 BQPMBYCWOVDEHX-QGZVFWFLSA-N 411.506 0.892 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N[C@@H](CO)c2ccc(Br)c(F)c2)n1 556488614 FCJYOPRYLBQHIJ-ZDUSSCGKSA-N 424.230 1.487 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)CC1 569795609 FPTYKVJGNLONKD-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 570623871 NYWHMRIVHCTQEA-UHFFFAOYSA-N 407.434 0.745 30 20 HCED Cc1csc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 572863977 NGSDQOJOHHVINM-UHFFFAOYSA-N 405.505 0.950 30 20 HCED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 572906573 PHWFMBBYEFLTOZ-UHFFFAOYSA-N 422.466 0.267 30 20 HCED CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1=O 609214294 VTYHOSXRULTDHY-MOPGFXCFSA-N 410.522 0.935 30 20 HCED CCCn1c(CCC(=O)N2CCO[C@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 609269109 HBRBXLOLLVALOU-CYBMUJFWSA-N 405.480 0.777 30 20 HCED CN(CCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 611543576 OYILQBLGWFRVMR-MRXNPFEDSA-N 407.496 0.634 30 20 HCED COC(=O)c1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1C 615050439 KLLVHUZMJWHNQJ-UHFFFAOYSA-N 402.451 0.795 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725953066 RXTXMVHVONDZSB-XOKHGSTOSA-N 405.426 0.952 30 20 HCED C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCC)sc(=Cc3cnn(C)c3)c2=O)c1 726581311 QTRKGFVIEQYGBN-UHFFFAOYSA-N 417.494 0.643 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1 728536395 YWOJYNFXNWKDIC-CMDGGOBGSA-N 422.529 0.832 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 728589388 DEENDUHAIQHNMA-UHFFFAOYSA-N 414.325 0.813 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(OC)ccn3)CC2)cc1 729423033 DIDZFUCROFARNB-UHFFFAOYSA-N 414.487 0.964 30 20 HCED COCCOC(=O)c1c(C)[nH]c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C 731863291 TVOONGKKMGTGLH-FBMGVBCBSA-N 404.423 0.691 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)C1=O 732104042 KNIOBHOSKRIFEI-IBGZPJMESA-N 408.455 0.773 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 741343110 ZCYMSIUZMBPHLX-XAGMJWQQSA-N 407.423 0.248 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743729205 YCPHFJSVVVBTIM-UHFFFAOYSA-N 415.519 0.214 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCO)s2)c1 745147370 ZWCCCKFLSCNBNT-UHFFFAOYSA-N 409.445 0.686 30 20 HCED NC(=NO[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(CN2CCOCC2)cc1 747832143 PEZAQKSXMMAFMN-LJQANCHMSA-N 402.495 0.936 30 20 HCED CC(C)N1C(=O)C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 751399568 MVHMJYNEXIDSST-ZDUSSCGKSA-N 406.464 0.157 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3ccc4c(c3)NC(=O)C4)CC2)o1 752045157 VSJLWPCXVWRCNE-UHFFFAOYSA-N 423.429 0.784 30 20 HCED CCOC(=O)N1CCC(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 757419358 SRAAJOZAXVHQDV-HNNXBMFYSA-N 415.498 0.596 30 20 HCED C[C@@H](NC(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1)C(=O)N1CCCCC1 762735446 ASADGEULVWVPDE-CYBMUJFWSA-N 410.496 0.244 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCS(=O)(=O)N(C)C)c1 765471549 BPTNYQNCJQQAOU-SDXDJHTJSA-N 416.525 0.719 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)nc2)CC1 766503051 DFAFXADCVJDFTO-UHFFFAOYSA-N 410.272 0.229 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 766991529 YDHUXVDEERJTBI-OKILXGFUSA-N 419.459 0.937 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)cn1 772312837 YBGOKYDFUOIFJE-UHFFFAOYSA-N 410.459 0.271 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(C(=O)NC(C)(C)C)CC1)c1cc[nH]n1 772566548 DJBDMMFWWKTSPN-UHFFFAOYSA-N 408.459 0.346 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C)(NC(=O)OC(C)(C)C)CC2)C1=O 781777299 CWJYOFYBDLCVBV-UHFFFAOYSA-N 408.455 0.869 30 20 HCED COC(=O)Nc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 782904991 KCEDAZSWEVMFNM-UHFFFAOYSA-N 403.439 0.878 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 783479809 GAZVUVRDZGYIAY-MRXNPFEDSA-N 400.460 0.519 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c1 784679936 NEQXQCXVDDYEDT-GOSISDBHSA-N 409.464 0.765 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 787289375 GJBVVRUTRJVWRS-UHFFFAOYSA-N 422.489 0.630 30 20 HCED COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2C(C)C)c1=O 794582225 UWOMUDBQUPZFCQ-UHFFFAOYSA-N 403.508 0.361 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 799286474 HWLFHXURAPIOMP-CQSZACIVSA-N 402.476 0.962 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCc3nc(C)sc32)CC1 807646751 XDDJACNHDRXRGK-OAHLLOKOSA-N 405.524 0.392 30 20 HCED N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2nncn2-c2ccccc2)nc1 809175584 AYCCEPYUGQVBMA-UHFFFAOYSA-N 417.472 0.923 30 20 HCED C#CC[C@]1(C(=O)N2CCN(S(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 816528246 SUMCVJQZDYYVIS-GOSISDBHSA-N 414.528 0.388 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccc2C)sc(=Cc2cnn(C)c2)c1=O 838241353 GVQCGVFVSJJQKQ-UHFFFAOYSA-N 423.498 0.740 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 895893980 GXVQHEZUIMSEAP-NWDGAFQWSA-N 409.464 0.954 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)cc1 914879190 BALFBWSBMNMDTM-GOSISDBHSA-N 405.520 0.925 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 916869351 XFGFCDSXJSPKAT-CYBMUJFWSA-N 404.379 0.572 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCS(=O)(=O)C1 1288773891 SYVBYXMLIIVEPP-AVGNSLFASA-N 418.545 0.061 30 20 HCED N#CCCN1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1302597191 SGLLIWJYZREUMM-UHFFFAOYSA-N 420.535 0.698 30 20 HCED CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1306548232 YZMAQDXRDACMGI-CVEARBPZSA-N 417.514 0.795 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CC[C@](F)(C#N)C2)C1 1316352481 UEGYCLIFSKEABN-DYVFJYSZSA-N 407.475 0.997 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccncc1 1360685282 UYGISQYZKPQHBQ-CXAGYDPISA-N 407.475 0.968 30 20 HCED CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCCC1=O 1509695076 MJIWEWNQBFXGMH-INIZCTEOSA-N 417.514 0.938 30 20 HCED CN(CCOc1ccc(S(N)(=O)=O)cc1F)[C@H](C(N)=O)c1ccc(C#N)cc1 1618471916 RBRMWWHJEWZHBB-KRWDZBQOSA-N 406.439 0.882 30 20 HCED Cc1c(C#N)c(=O)n(CC(=O)N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c(=O)n1C 1644133805 NKATUNIGOZTACH-AWEZNQCLSA-N 415.494 0.224 30 20 HCED N#Cc1ccc(N2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cn1 1644412755 RSBYZONOLQGXBA-UHFFFAOYSA-N 414.491 0.751 30 20 HCED CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1645093066 XQMXNRDCEAATKX-LXZKKBNFSA-N 423.491 0.842 30 20 HCED CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)N1CCOCC1 1692516115 AYGBBVWPYKUWOB-UHFFFAOYSA-N 403.487 0.405 30 20 HCED CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695872702 KGSZRUHBOATITM-JXXFODFXSA-N 418.521 0.697 30 20 HCED Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cn1 1729573865 KOBKGVDPADMDGA-IBGZPJMESA-N 408.470 0.962 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1731007719 RVXYMCFTFZZXEG-UHFFFAOYSA-N 402.480 0.563 30 20 HCED 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422.522 0.583 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840158375 JXNKMOKZKUPWBH-SJKOYZFVSA-N 414.459 0.171 30 20 HCED C=CCOCCCC(=O)N1CCCC12CN(C(=O)Cn1cccc([N+](=O)[O-])c1=O)C2 1841606264 YFGORBWLWAJDLB-UHFFFAOYSA-N 418.450 0.943 30 20 HCED COc1cc(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc(OC)c1OC 1841785899 NUBVZUFCFQCZJG-UHFFFAOYSA-N 416.430 0.546 30 20 HCED CN[C@@H](CC(=O)N1CC2(CCCN2C(=O)/C=C/C(=O)c2cccs2)C1)C(=O)O 1843418105 JFJHGUPTCFDGLS-GFUIURDCSA-N 405.476 0.753 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2 1844155768 PCYMOMUBKPRKMB-QGZVFWFLSA-N 400.435 0.369 30 20 HCED O=C(NCC(=O)N1CC2(CCCN2C(=O)/C=N/O[C@@H]2CCCCO2)C1)c1ccco1 1844299995 FQYCTCOTTOUASG-FNLSEGDXSA-N 418.450 0.742 30 20 HCED CC#CC[C@H](C(=O)N1CCCC12CN(C(=O)C[C@H]1NC(=O)NC1=O)C2)c1ccccc1 1844334641 LLLAHCSECADWBC-ZWKOTPCHSA-N 422.485 0.985 30 20 HCED C[C@H](Cn1cncn1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1844347876 IAXYXURTRBBODW-XVDYNPRASA-N 404.471 0.647 30 20 HCED 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Cn1c(=O)c2cc(C(=O)Nc3ccccc3-n3cnc(C#N)n3)cnc2n(C)c1=O 464681045 CTDNAJSJGJWGMV-UHFFFAOYSA-N 402.374 0.337 30 20 HCED CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 466811999 AKWZPWKQRPHACY-UHFFFAOYSA-N 411.422 0.151 30 20 HCED COC(=O)CN(CCN1CCOCC1)S(=O)(=O)c1c(F)cc(C#N)cc1F 467141204 HUCRCBOWHKEDMW-UHFFFAOYSA-N 403.407 0.332 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)ccc1OCC(F)(F)F 471008197 AUODZPCZRKHIRO-AAEUAGOBSA-N 414.340 0.587 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C(=O)NC3(CCCC3)C2=O)c1 476600939 JSUILCDRSKHNGJ-UHFFFAOYSA-N 420.491 0.745 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1C 479381670 KXDUBLQLTUFCCP-UHFFFAOYSA-N 413.499 0.501 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1ccccc1F 480670055 LDAJXXQQNLIILV-CYBMUJFWSA-N 418.450 0.910 30 20 HCED COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 481749282 LKXJHVWDNCEZDD-SUMWQHHRSA-N 423.491 0.557 30 20 HCED COC(=O)CC1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCOCC1 482846899 UVKSNHAMABAEQU-CYBMUJFWSA-N 409.464 0.454 30 20 HCED C=CCn1c(-c2cccc(OC)c2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508883438 AAUROYKQFOYUPK-ZDUSSCGKSA-N 412.450 0.295 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(S(=O)(=O)NC)c2)c1 511046967 NKSIFDBPDHFAAW-UHFFFAOYSA-N 423.516 0.989 30 20 HCED C[C@H](CC#N)NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 512008943 NKDAJUPPHXMMGY-RISCZKNCSA-N 421.928 0.840 30 20 HCED N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCCN3C(=O)CNC3=O)c2)cc1 523039007 PYSHSZANFLMZQT-UHFFFAOYSA-N 407.386 0.957 30 20 HCED CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 524424415 WQZYYOQWBONVCD-UHFFFAOYSA-N 402.379 0.202 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)c1C 534928610 PXAAMGFOXBPEFI-UHFFFAOYSA-N 422.445 0.955 30 20 HCED C=C(C)Cn1c(COCC)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 549291394 XUADPHUQPJNHNP-UHFFFAOYSA-N 401.533 0.879 30 20 HCED COC[C@@H](C)n1ccc(=NC(=O)C(=O)N=c2ccn(-c3cccc(F)c3C#N)[nH]2)[nH]1 549794364 LZYCDAOWYWLQTH-GFCCVEGCSA-N 411.397 0.708 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 550967782 UAJHYTOQTBOXEU-UHFFFAOYSA-N 409.240 0.575 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCN(C2CCC2)C1 551277387 HWUOWWRUHIQGSW-INIZCTEOSA-N 421.505 1.469 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC3(O)CCOCC3)CC2)cc1 554269236 KGSBVSZFHWQVKG-UHFFFAOYSA-N 422.507 0.506 30 20 HCED CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 561782422 CPRNMSLMRLACLV-IAGOWNOFSA-N 417.485 0.571 30 20 HCED CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 581481035 MGPKDOFVFLFCBI-SJORKVTESA-N 416.526 0.959 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)CC1 608796280 NXQQEZPKGWSXSP-UHFFFAOYSA-N 402.418 0.821 30 20 HCED CCC(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609055216 WHBSRAUSARHDEY-HNNXBMFYSA-N 422.532 0.703 30 20 HCED CCOC(=O)[C@H]1CCCN(S(=O)(=O)N(CCC#N)CCN2CCOCC2)C1 609157920 JZUFYOFRSIARED-INIZCTEOSA-N 402.517 0.054 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)c(C)c2)c1=O 609220521 RFLBGIYQDWIDTD-UHFFFAOYSA-N 401.463 0.809 30 20 HCED C=CCc1ccc(OCC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(OC)c1 619960627 FHYPTZKEUFYPTQ-UHFFFAOYSA-N 411.524 0.496 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(NC(C)=O)c2)C1=O 726043109 JQQRCQDMBGITRT-UHFFFAOYSA-N 402.363 0.104 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1CCCOCC 732561387 NWXWCRYUAKOELU-UHFFFAOYSA-N 415.519 0.358 30 20 HCED CN(C)CCOC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 733154637 SIJZFYJPTQYZCB-UHFFFAOYSA-N 408.524 0.684 30 20 HCED CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CCOC)c2)c1=O 743727425 MCBJEVHTVJOECL-UHFFFAOYSA-N 417.535 0.580 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](N2CCNC2=O)C1 744354618 IQZCQEYHOXXALN-AWEZNQCLSA-N 419.507 0.522 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745476165 BZEJVLVHYOLITN-OMNBBPDLSA-N 417.805 0.856 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1 746012608 AESMVUXSPYLQCB-LJQANCHMSA-N 418.475 0.048 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CNS(=O)(=O)c2cccc(F)c2)cc1 746566397 GQYQBEMNPNYGLY-UHFFFAOYSA-N 405.407 0.835 30 20 HCED C[C@H](CC(=O)NCCN1CCC(N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 748746340 LKCBROZYWIPPID-OAHLLOKOSA-N 421.567 0.646 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1 756752015 RZQHHZGGGXEAIN-QWHCGFSZSA-N 411.484 0.361 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ccccc4)n3)CC2)n1 761096731 RBBRFQPAKXPFHB-UHFFFAOYSA-N 402.418 0.821 30 20 HCED NS(=O)(=O)c1ccc(N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)cc1 761948573 YZYSVTGJAWYKTO-UHFFFAOYSA-N 413.455 0.763 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(C(N)=O)cc3)c2=O)n1 763313994 XWABYDPUMKBWPG-UHFFFAOYSA-N 417.450 0.818 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COC2(CCOCC2)O1 777425731 LXVQFORMXYSXLU-ZFWWWQNUSA-N 409.464 0.263 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 780058518 FXZINGFTZHULCV-UKRRQHHQSA-N 410.434 0.961 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 783547466 KAIOJIYSILVDHN-GOSISDBHSA-N 409.464 0.179 30 20 HCED C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 784925257 WDLNIBAESFWEEN-CQSZACIVSA-N 415.421 0.931 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 785587776 NFPXATKHZFFDFU-UKRRQHHQSA-N 405.407 0.568 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 786130944 BQDVKDRIJFXAMP-ZDUSSCGKSA-N 413.438 0.472 30 20 HCED C[C@@H](O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789783010 STZAJZROOSIJSM-QIAIEURZSA-N 410.496 0.715 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1Br 790838030 BXLCGGMVELMKOI-UHFFFAOYSA-N 414.197 0.931 30 20 HCED C=CCOC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 796457382 ALYXJDBVLRBTMV-FOIQADDNSA-N 403.435 0.622 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@H](C)C(=O)NCCF)cn1 799862596 YHPLVVILTRDCNE-BXUZGUMPSA-N 424.502 0.977 30 20 HCED Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n(C)n1 802659599 WULZLFHMPQKLDC-UHFFFAOYSA-N 405.436 0.716 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(-n3cncn3)c2)n1 805746510 ZRCWJNBIMPMSCC-UHFFFAOYSA-N 421.461 0.388 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1)[C@H]1CCCO1 809311557 VLVQRWIFMHXACC-RBUKOAKNSA-N 418.538 0.124 30 20 HCED N#Cc1cncc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 810047785 KONOHXRXNUFHNQ-UHFFFAOYSA-N 412.415 0.793 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 815676016 ATLRDATWRNHXLJ-UHFFFAOYSA-N 413.478 0.848 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCn1cnccc1=O 816278832 SICUMFJPPIGJMB-HNNXBMFYSA-N 418.475 0.940 30 20 HCED CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N[C@H]3CCN(O)C3=O)c2c1 816693448 LBRFWNMGJHKLHX-HNNXBMFYSA-N 422.463 0.691 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)c(Cl)c1 918730302 YASUXAOODIPICZ-UHFFFAOYSA-N 402.863 0.687 30 20 HCED CCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 919182818 UGCDDWZXOMTJLP-WBVHZDCISA-N 405.426 0.635 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CO)C(=O)OCc2ccccc2)c1 1116593609 XARRLRTVAMIKGZ-SFHVURJKSA-N 418.471 0.985 30 20 HCED Cc1ccc([C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)N2CCOCC2)cc1 1136335220 RZIKSWZGHWVXRH-GOSISDBHSA-N 411.462 0.709 30 20 HCED N#C[C@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1256280216 VBZCKGVDCMMKOL-IAGOWNOFSA-N 410.927 0.826 30 20 HCED Cc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1289889734 JSCPGNKBYBTQAL-IAGOWNOFSA-N 423.477 0.696 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CCO1 1309752688 WFBBTWROJAKUTE-AAEUAGOBSA-N 402.835 0.643 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1322901199 MZVTZMIGBYIAEJ-UHFFFAOYSA-N 406.512 0.214 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(Cl)cc2Cl)CC1 1341698536 CJCDEMAEBDPCOX-UHFFFAOYSA-N 405.307 0.834 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)N1CCOCC1 1360646476 PSGNNXLDANWRLH-KFWWJZLASA-N 413.548 0.347 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](c2nccn2C)C1 1451306456 NZFMRSCPXBMYRW-YSVLISHTSA-N 417.491 0.995 30 20 HCED CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1541162081 YCDGLQNHLDGIGS-AWEZNQCLSA-N 423.499 0.412 30 20 HCED CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1618842362 QVMSADRLNNKYHJ-OAHLLOKOSA-N 418.479 0.365 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNc1ccc(S(C)(=O)=O)cc1 1630585414 NPCRUYAVGDKSHA-CQSZACIVSA-N 414.491 0.901 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)CC1 1636469717 SVWUQWPPAOWOTM-ZDUSSCGKSA-N 409.464 0.265 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)CCOC1 1696097906 VCWZPQLZSRAGEF-HNAYVOBHSA-N 420.470 0.501 30 20 HCED COCCN1C[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1698077116 WTAKFHPYJIDQHU-IFXJQAMLSA-N 416.461 0.615 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC(=O)N(CCOC)C1 1727608842 YRKXMBLZYOMXSS-DOTOQJQBSA-N 401.515 0.512 30 20 HCED CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1741699179 OHZXDTIWFCUMJJ-INIZCTEOSA-N 408.466 0.555 30 20 HCED C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCCS1(=O)=O 1761364242 NFFFMUDHTYDWEO-CQSZACIVSA-N 409.516 0.174 30 20 HCED C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CCO1 1763090712 YRTZMZFPUHXADQ-CQSZACIVSA-N 404.496 0.933 30 20 HCED N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CC(=O)N2CCOCC2)c1 1770747820 QVPVINPRJNRYHX-UHFFFAOYSA-N 410.478 0.884 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)CN3CCN(C)CC3)C2)C1 1778257020 GZBUJXVPJPDXJS-NRFANRHFSA-N 408.543 0.047 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)CC[S@@](=O)CC)C2)C1 1778815222 NSLUORCSLWYOMY-WINIVTDRSA-N 400.541 0.958 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)Nc3cnccn3)C2)C1 1779051668 OKZYLSYDEIVIAF-QINHECLXSA-N 401.467 0.145 30 20 HCED CC(C)CNC(=O)C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779102233 UGGOAKDBCBPQPM-RNWBSVKLSA-N 424.498 0.118 30 20 HCED COc1cc(C#N)cc(C(=O)N2CC[C@]3(C2)CN(C(=O)C(OC)OC)CCO3)c1 1780169744 XGDBXBGLFOZSRI-FQEVSTJZSA-N 403.435 0.629 30 20 HCED COc1cc(C(=O)N2CC[C@@]3(CN(C(=O)C#Cc4ccccc4)CCO3)C2)nn1C 1780434528 XEFQAENORMNNMA-JOCHJYFZSA-N 408.458 0.924 30 20 HCED COc1ccc(CC(=O)N2CC[C@@]3(C2)CN(C(=O)C(=O)C2CC2)CCO3)c(C#N)c1 1781171185 LINZLRZAHAPWOK-JOCHJYFZSA-N 411.458 0.918 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(CCN(C(=O)Cn4nccn4)C3)C2)c1 1781421684 RAXDDWSZVPKPEA-HXUWFJFHSA-N 410.434 0.302 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)CN4CCOC4=O)CCO3)C2)c1 1781961265 KULKFKDDPUJRKH-FQEVSTJZSA-N 416.409 0.593 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)/C=C/c2ccc(O)c(O)c2O)C1 1783221608 HBMAKYPBGAVSQJ-BBDJDOAOSA-N 400.431 0.964 30 20 HCED COc1cc(C(=O)N2CCO[C@]3(CCN(C(=O)C#CC(=O)O)C3)C2)ccc1[N+](=O)[O-] 1783567847 DFTZHTLIRBLEQN-IBGZPJMESA-N 417.374 0.135 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)[C@H](C)O)CCO2)C1 1783771626 UQYZGOBRROHZRY-MDOVXXIYSA-N 411.499 0.667 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3csc4c3CCCO4)[C@H]2C1 1787260201 GIWKYFUCPHWHGC-NOLJZWGESA-N 418.471 0.754 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nccnc4c3)[C@H]2C1 1788031244 VXSDCNJTLXQBMS-MPGHIAIKSA-N 408.414 0.311 30 20 HCED COC(=O)C1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)c4cc(C#N)c[nH]4)[C@H]3C2)CC1 1789346438 UQFPLIDVLARYNF-DZKIICNBSA-N 400.435 0.433 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cn3ccncc3=O)[C@H]2C1 1790584332 MTNFNTNHDHWPHS-KKUMJFAQSA-N 410.421 0.434 30 20 HCED C=C(C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCCS3(=O)=O)C[C@@H]21)C(F)(F)F 1790885169 UMVUZPHTHJJTTH-XUXIUFHCSA-N 424.441 0.662 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)Cc3cc(F)ccc3F)[C@H]2C1 1792136717 QQJZTJBSCCMZAJ-NUTKFTJISA-N 406.385 0.575 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CSCC(=O)OC 1793584938 JPLJOPQVZQNKQS-BSBPSHLESA-N 409.508 0.389 30 20 HCED O=C(Cn1cccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#CC1(O)CCCCC1)C2 1795870773 WTOHQZPCKWYOCD-XEMDLRDOSA-N 400.479 0.171 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CCNC(=S)NC)C2 1797649487 ZLMVVIDMEMGNAB-DFGXFYAUSA-N 408.568 0.828 30 20 HCED CC(C)=NO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H](C)Cn1cncn1)C2 1799394837 XPXADPXWFQAFLD-NNXHMXCWSA-N 406.487 0.305 30 20 HCED C[C@H](CC(N)=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(C#N)ccc1F 1799744747 AUAPNSRPEBHYTN-GNTLTTKYSA-N 402.426 0.412 30 20 HCED C=C(C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nsnc1NC)C2)C(F)(F)F 1800547733 IBZYMXNDXCXACE-ILWJIGKKSA-N 405.402 0.902 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1801972150 IDPQWEFZPLSQJF-MTYFHHLFSA-N 407.426 0.623 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2cc(O)n(C)n2)[C@@H]1c1cccnc1 1804890199 XJYQQRKEYKFFTI-ALKREAHSSA-N 411.462 0.879 30 20 HCED Cn1ncnc1C(=O)NC[C@@H]1CCN(C(=O)C(C)(C)NCCC#N)[C@H]1c1cccnc1 1805275623 KTWOJOGCPXGOLF-IRXDYDNUSA-N 424.509 0.812 30 20 HCED C=CCSCC(=O)N1CC[C@H](CNC(=O)CN2CCNC2=N)[C@@H]1c1cccnc1 1807112761 VBKZLKVBUVEMLC-APWZRJJASA-N 416.551 0.847 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@H](O)CN2)[C@H]1c1cccnc1 1807706288 JGNQFNCNFBUDAO-GYFISPQKSA-N 417.510 0.611 30 20 HCED CCc1cc(C(=O)NC[C@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)n(C)n1 1810921231 NDSIKKAQVBODMJ-FOIQADDNSA-N 409.446 0.785 30 20 HCED C#CCCCC(=O)NC[C@@H]1CCN(C(=O)CN2C(=O)C=CC2=O)[C@@H]1c1cccnc1 1813051566 RCWIYKSDQHABRT-HTAPYJJXSA-N 408.458 0.816 30 20 HCED CCC[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@@H]1c1cccnc1 1814130903 GYOZXMNUSVLOFA-ABSDTBQOSA-N 414.462 0.480 30 20 HCED C#CCO[C@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)Cn3ccccc3=O)sc2C1 1815441040 VEYVRACLELFBQT-KGLIPLIRSA-N 414.487 0.955 30 20 HCED CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC#N)n[nH]1 1816749655 QJVFZESAWCQQGV-CVEARBPZSA-N 412.454 0.786 30 20 HCED CCCC(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2 1820118066 UEBCSGQHQFHRFL-QWRGUYRKSA-N 406.464 0.448 30 20 HCED N#Cc1c[nH]c(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CC[C@@H](N)C(N)=O)CC3)c1 1821600535 YWQHWNRAHPBVBO-GHMZBOCLSA-N 415.479 0.161 30 20 HCED Cc1nnc(CC(=O)N2CCCC[C@@H]2c2cc(NC(=O)C#CC(=O)O)n[nH]2)s1 1822200671 QIORKXGQIBQBNE-GFCCVEGCSA-N 402.436 0.892 30 20 HCED N#CCC(=O)N[C@@H]1CCc2nc(NC(=O)CN3C(=O)CSC3=S)sc2C1 1828242215 FCIJBYFDYQLZTI-MRVPVSSYSA-N 409.518 0.829 30 20 HCED C=CCCC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCNC(=O)C3)C2)C1 1829786907 HAYCVLVVQWHKIA-HTAPYJJXSA-N 421.538 0.961 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCCC3=O)C2)C1 1830064477 LZGOJFAWGCRELX-FQEVSTJZSA-N 406.483 0.005 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)CC[C@@H](N)C(N)=O)CC1 1830415054 JRZPYCHUFBBHAX-NXHRZFHOSA-N 423.558 1.000 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](O)[C@@H](C)CC)CCO2)C(F)(F)F 1831517371 HNZMQHZFQHWGGT-JDFRZJQESA-N 408.417 0.968 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)NC(C)=O)CC2)CC1 1833468857 GYQDEXJWOIAKCY-HZPDHXFCSA-N 406.527 0.121 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1cccc(O)n1)CCO2 1834189039 VFDBCFPXXJMPKZ-QHCPKHFHSA-N 421.453 0.909 30 20 HCED COC(=O)c1ccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc1 1834769013 VGHHFELYQNEKAU-OAQYLSRUSA-N 415.446 0.386 30 20 HCED Cn1ncc2cc(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)ccc21 1835356487 ALQOBNRPENUJRR-NRFANRHFSA-N 411.462 0.947 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccco3)C2)C1 1835672576 FBLLIAJEHWNINB-FQEVSTJZSA-N 404.467 0.631 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](N)c1ccccn1)CCO2 1835708796 YPOJXVNUDYLUGD-IFMALSPDSA-N 414.506 0.731 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cc(C)cn3)CCO2)C1 1836195792 YXYVKJJYTJUDLO-XLIONFOSSA-N 406.483 0.239 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)on3)C2)C1 1837395361 YCRFYDXXMNLPDO-OXJNMPFZSA-N 407.467 0.626 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1839224416 ROERGQKUMAFSPF-AUUYWEPGSA-N 408.455 0.854 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3nccn3)CCO2)C1 1839236464 BMLAAZLHEJNRDT-YLJYHZDGSA-N 403.483 0.503 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCC[C@@H](C(=O)OCC)C3)C2)C1 1839806039 XYLFQQZWMKALMO-FVJLSDCUSA-N 406.479 0.446 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccsc3)C2)C1 1840041178 WRMQQXKGHKBSIB-VQSDEBNRSA-N 404.444 0.306 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cnc4ccccc43)CCO2)C1 1840103021 INWXGLJTHAWJMA-MGPUTAFESA-N 418.519 0.811 30 20 HCED Cc1nnc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)s1 1840159617 IRVXSKRFSMSLJQ-BZNIZROVSA-N 400.526 0.164 30 20 HCED CCOC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](C)S)CCO2)C1 1840165008 LWNIKJLJIMYJGE-ACJLOTCBSA-N 402.513 0.350 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](CCC)NC(C)=O)C2)C1 1840171137 QVCBNMUHLWUVLC-NQIIRXRSSA-N 407.511 0.551 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC2(CCCN2C(=O)[C@H](C)Nc2cnccn2)C1 1844280049 PNJXXDHDUIQASS-HNNXBMFYSA-N 401.467 0.990 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1847512663 NIGYDKXHMVOYEA-FXUDXRNXSA-N 409.483 0.112 30 20 HCED CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 25489400 RRJLKOXYGPAXOF-UHFFFAOYSA-N 408.461 0.465 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31296149 YLQKQEDMXRWPKE-AWEZNQCLSA-N 405.480 0.265 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1 261452720 QBJRVXSFYGYPHY-SFHVURJKSA-N 404.536 0.450 30 20 HCED C[C@@H](C#N)CN(C)S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 409503631 WIJCZJGYQZCWFW-VIFPVBQESA-N 400.935 0.606 30 20 HCED CN(Cc1cc2c(cc1OC(F)F)OCO2)S(=O)(=O)N1CCO[C@H](C#N)C1 410127673 NTXBNCLGBIHCEA-LLVKDONJSA-N 405.379 0.918 30 20 HCED C=CC[C@@H](C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 427469252 KYRRATJKNHQVEZ-RTBURBONSA-N 419.547 0.794 30 20 HCED Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1C#N 427768687 SNAPPXJTJFTPCS-UHFFFAOYSA-N 423.476 0.478 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 430396264 SQVKQVHJZFUJPX-LXZKKBNFSA-N 409.508 0.951 30 20 HCED COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 435024720 FXWYAMLKSCMNEP-KRWDZBQOSA-N 404.448 0.908 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N(CCO)Cc3cccnc3)n2)c(F)c1 439411580 QURYPPDEVGOOBI-UHFFFAOYSA-N 408.393 1.238 30 20 HCED CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1 440981192 HLDAIMHPSDPFCT-KRWDZBQOSA-N 404.467 0.459 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 442425344 ZFAKRZWRHNXQRH-MRXNPFEDSA-N 424.461 0.505 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCCN(C(=O)c3ccsc3)CC2)n1 444507531 PAGSTZXRZZJBOW-UHFFFAOYSA-N 400.464 1.171 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C 460612201 HKRILBBMTNIGTF-UFEGIJMPSA-N 400.464 0.754 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)CC1 463608209 BHEPONSQAKQSQP-JYBIWHBTSA-N 408.458 0.759 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CCOc1ccc(S(N)(=O)=O)cc1 464861660 VVSGOLRZFZGGSJ-AWEZNQCLSA-N 402.480 0.585 30 20 HCED CCn1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 465321956 JTJHJXCBFFIQOY-UHFFFAOYSA-N 416.463 0.246 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cc1 465418921 DQPATUJZGMHJJX-GDBMZVCRSA-N 422.507 0.375 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCCN3C(=O)[C@@H]3CCCO3)CC2)c1C#N 472247851 IKNRMDCBKIGFBL-MSOLQXFVSA-N 414.510 0.809 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCCC)nc2)CC1 477326057 NYAQWPBRYUSRHS-UHFFFAOYSA-N 403.483 0.645 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CCCCn2cc(C(=O)OC)cc(C#N)c2=O)c1 479211583 CYZHTPDBMDBFDG-UHFFFAOYSA-N 410.386 0.807 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn1 480291215 LSADCDIEMKAIIC-UHFFFAOYSA-N 407.477 0.263 30 20 HCED CCOC(=O)CN1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 506581434 SDARAVJLKGPQHL-UHFFFAOYSA-N 422.507 0.276 30 20 HCED CC[C@@H](C(=O)OC)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 514806457 WHELCSLPIGRPAJ-PBHICJAKSA-N 422.507 0.321 30 20 HCED CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 517976481 PPOMTFLBBRIUHD-AWEZNQCLSA-N 411.466 0.805 30 20 HCED Cc1cccc(OC[C@@H](O)CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 518445424 JLMWCISAXAQPSQ-INIZCTEOSA-N 403.460 0.701 30 20 HCED COCC(=O)N1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)CC1 534936249 JZHDCRYVWKMGGO-UHFFFAOYSA-N 424.461 0.617 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CC[S@@](C)=O)cc1 537006476 MVXNUTPNPIGWDN-WHDAMIPWSA-N 415.537 0.705 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 538094573 ZCEBYMFOHFDRAW-UHFFFAOYSA-N 416.482 0.341 30 20 HCED C[C@H](CS(C)(=O)=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 539367970 FLWLCJJJNPNZKW-QAPCUYQASA-N 410.515 0.899 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N(CC)CC)c1 539690968 ZDCRVKRFBGQHBB-UHFFFAOYSA-N 413.478 0.867 30 20 HCED CCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 542766971 SVSAEIFRULZRQJ-ROUUACIJSA-N 422.507 0.768 30 20 HCED COc1cc(C#N)ccc1NC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 547417783 YQIAXAXLFCBJRS-HNNXBMFYSA-N 401.467 0.964 30 20 HCED CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 552898191 GJSIWQMCNJJSDE-LSDHHAIUSA-N 412.537 0.994 30 20 HCED CCN(C[C@H](O)COc1ccc(CCOC)cc1)c1c(C#N)c(=O)n(C)c(=O)n1C 555230000 SGFKDMZLOBHPKE-INIZCTEOSA-N 416.478 0.411 30 20 HCED C=CCCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 562162184 QNIGCMDCYBDMRY-QGZVFWFLSA-N 416.526 0.871 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)C1=O 564062076 DBITYESRVIBGIQ-LBPRGKRZSA-N 424.383 0.610 30 20 HCED N#C[C@@]1(NC(=O)CN(CC(=O)N[C@@]2(C#N)CCOC2)Cc2ccccc2)CCOC1 569779213 SYHADTJLTYUVKN-OYRHEFFESA-N 411.462 0.086 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)C1=O 576859990 QRNHTUPIDQFJIV-UHFFFAOYSA-N 403.345 1.374 30 20 HCED CCOC(=O)c1csc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 576991952 RUXQJDDBKHFJGQ-UHFFFAOYSA-N 422.488 0.829 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)CC1 585683875 MWMICZCKXISZRG-INIZCTEOSA-N 405.524 0.342 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(CC(N)=O)cc1 589534243 XAXDHPJMXBHMHB-ZDUSSCGKSA-N 400.460 0.569 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2C2CC2)CC1 590999290 YDXJUNZEQJREOC-UHFFFAOYSA-N 414.556 0.973 30 20 HCED COc1cc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc(OC)c1OCC(N)=O 604560910 JRRWGNRJLNBKOQ-OAHLLOKOSA-N 404.467 0.874 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038374 NVUGVDRDUSEFDX-UHFFFAOYSA-N 419.510 0.970 30 20 HCED COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NC2CCN(CC#N)CC2)C1=O 610460690 OGXQGGATNYDMBU-CQSZACIVSA-N 405.480 0.927 30 20 HCED Cn1cnc2c(C(=O)NCC#CCNC(=O)c3ccnc4c3ncn4C)ccnc21 673064399 NWZCPNFOYUBMJR-UHFFFAOYSA-N 402.418 0.413 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c1=O 725780138 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30 20 HCED CCOC(=O)c1cnn2c(O)cc(CN3CCN(c4nccnc4C#N)C[C@@H]3C)nc12 756911075 PZUBIWDARGOAEX-ZDUSSCGKSA-N 422.449 0.984 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)CCS2(=O)=O 757727179 FUZJJIKJGVRSCV-UHFFFAOYSA-N 419.484 0.371 30 20 HCED C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)OCC(=O)N(CCC#N)CCC#N)C2=O 757835656 DEVJAWCLVLEYTQ-HUUCEWRRSA-N 417.466 0.932 30 20 HCED C#CCSCCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 759503598 JMVSQQPYBJFFCO-UHFFFAOYSA-N 403.464 0.667 30 20 HCED C#CCOc1ccccc1CN1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 769464251 XXVMHMYTYKVFAO-GOSISDBHSA-N 405.520 0.120 30 20 HCED COCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)C(=O)c3nccn3C)cc2S1(=O)=O 770872107 RSIXRHNJWCGDQH-CYBMUJFWSA-N 416.415 0.416 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1)[C@@H]1CCCO1 773787841 JKHXNVLKIXPDIF-KGLIPLIRSA-N 409.464 0.181 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1 774014447 XEGABPAURJYMEH-GOEBONIOSA-N 408.426 0.649 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCCn1ncc(C#N)c1N 777311169 OJFMOMZSFLGKHS-ZDUSSCGKSA-N 406.443 0.396 30 20 HCED CN(C)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 782681595 UEXDBAYIMDQBGX-CAPFRKAQSA-N 409.512 0.458 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 783482135 VENSNZCRMFJLAN-HUUCEWRRSA-N 406.460 0.442 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)n1 787239857 DWIGLAXTVVTHMR-UHFFFAOYSA-N 421.461 0.388 30 20 HCED NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 788019744 VEYXNOHAAVKRDR-XNJGSVPQSA-N 404.492 0.618 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2C(C)C)c1=O 794647113 KQUPNOGEUCDBOA-UHFFFAOYSA-N 409.515 0.882 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N([C@@H](C)C(=O)NCCF)C1=O 799863308 BKUBWCNLIYWBBF-IINYFYTJSA-N 424.454 0.957 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1)c1cc[nH]n1 804131679 FTWNYRXNEPSCIQ-UHFFFAOYSA-N 413.434 0.877 30 20 HCED C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CC=C)[C@H]1CCS(=O)(=O)C1 809885271 WTAUDODRKMGGFJ-AWEZNQCLSA-N 400.464 0.738 30 20 HCED O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCCN/C(O)=C1/N=CC=CC1=O 810382441 OBTWPCAENWNNTG-NXVVXOECSA-N 412.855 0.261 30 20 HCED CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCN(O)C1=O 820475879 BVAJPLVDLCUBQX-KBPBESRZSA-N 410.452 0.943 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 916930569 JFRAYCLAQQPIDI-CYBMUJFWSA-N 400.416 0.840 30 20 HCED COCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 918277786 KKQSVWLAYQGDEI-PGMHBOJBSA-N 410.496 0.981 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 919732772 GBFATXANQNBOAK-HNNXBMFYSA-N 423.491 0.951 30 20 HCED C=CCn1nnn(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1=S 919939268 BBOWWUBERBPLSU-UHFFFAOYSA-N 405.509 0.719 30 20 HCED COc1ccc(CC(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N1CCOCC1 1126708692 JMQBZQOWYSYAOW-UHFFFAOYSA-N 419.463 0.502 30 20 HCED Cc1ccc(CC(=O)N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 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N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N(CCO)CCN2CCOCC2)c1 437249732 KKYPFRQKALFOFY-UHFFFAOYSA-N 412.393 0.251 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CC(C)C)C(=O)C1 441305840 SCVVZRGDDDKWMZ-UHFFFAOYSA-N 409.450 0.713 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 442131067 GCDZZCBPJDLARC-GFCCVEGCSA-N 410.377 0.885 30 20 HCED C=CCN(C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1)C1CC1 442405534 KKYPHHKSYSFDMZ-UHFFFAOYSA-N 400.479 0.864 30 20 HCED CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c1 443310586 VGOOWROHKJUNBK-AWEZNQCLSA-N 408.480 0.763 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)C1=O 464935280 RXIOBMHMNJRPTI-LLVKDONJSA-N 413.390 0.899 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3CCC2CC3)cc1 471224876 WHLINGMDUGRAOX-UHFFFAOYSA-N 406.508 0.738 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472081471 AVBPXYLXBYLNDT-UHFFFAOYSA-N 400.487 0.937 30 20 HCED CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1C 472205066 JGAPMMMRYQXNEF-UHFFFAOYSA-N 420.495 0.626 30 20 HCED COc1cc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc(-n2cccn2)c1 472569918 MAZMADPJYIEODX-UHFFFAOYSA-N 408.422 0.745 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1 474338599 CSPKBMYUVDYHON-UHFFFAOYSA-N 420.494 0.868 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 475955358 HWVJKMSVKCLRLL-RBUKOAKNSA-N 410.474 0.945 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 480392154 CUIBDNHAUIBJPD-INIZCTEOSA-N 416.503 0.838 30 20 HCED CCN(CC)S(=O)(=O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481749708 XERHKSFKEUGYCY-ZDUSSCGKSA-N 416.525 0.013 30 20 HCED Cc1nc(S(=O)(=O)N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)cn1C 486115952 MVDRUFCQDIBPRQ-CQSZACIVSA-N 416.507 0.934 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C 507763765 POMZFGXYSNEDDS-WBVHZDCISA-N 416.478 0.844 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(Cc2cc(C)on2)CC1 508883451 ACJOQPSESRSAAG-CQSZACIVSA-N 409.516 0.693 30 20 HCED COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1 510023681 OIHAEVUSNLHDDL-CYBMUJFWSA-N 404.514 0.180 30 20 HCED C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 513295942 ZCVXKQWPILGPTP-AWEZNQCLSA-N 413.457 0.574 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]43)CC2)cc1 515444506 JDGIXWRALWEQIC-CGTJXYLNSA-N 405.476 0.443 30 20 HCED CCS(=O)(=O)N1CCC([C@H](C)N(C)S(=O)(=O)N(CCC#N)CCOC)CC1 516889975 VCRYIKUJEATGSD-HNNXBMFYSA-N 424.589 0.475 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)c(F)c1 523571059 JNTSYXZTYCAXCD-UHFFFAOYSA-N 404.471 0.978 30 20 HCED CN(CCC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 532649915 NINYIVXKGZNEOZ-UHFFFAOYSA-N 408.480 0.136 30 20 HCED C=CCCOCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 536039769 SSNJRELTQUFBAM-IYBDPMFKSA-N 404.533 0.260 30 20 HCED COC(=O)c1c(F)cccc1S(=O)(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 548697900 YZLJAWVJIOICEQ-UHFFFAOYSA-N 409.399 0.844 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccnc3-n3cncn3)C2)nc1 556327920 ZLZVAGVEWPTGFK-AWEZNQCLSA-N 404.390 0.547 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c1 559722596 IHCPECWSYHXVAR-UHFFFAOYSA-N 411.506 0.768 30 20 HCED CN(CC(=O)NCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 562796504 XIMUWKWUWWSKDC-UHFFFAOYSA-N 400.460 0.611 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)C1=O 563729051 BBLBQMGDEJXYBD-UONOGXRCSA-N 403.460 0.991 30 20 HCED CSc1nnc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 567147723 YGFHTKQNOQFSPR-UHFFFAOYSA-N 403.493 0.492 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(OC)nc1 577407813 PVQAZVBRWMQKEJ-UHFFFAOYSA-N 419.466 0.503 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(S(C)(=O)=O)CC1 577614086 JTTZTTLACSCOEN-UHFFFAOYSA-N 424.552 0.927 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 578803404 VKUCVYAAUGCAAN-KRWDZBQOSA-N 414.462 0.492 30 20 HCED COC(=O)c1cn([C@H]2CCCN(C(=O)C(=O)Nc3ccc(F)c(C#N)c3)C2)nn1 584145600 HVZYZUOXDZMIJA-ZDUSSCGKSA-N 400.370 0.878 30 20 HCED COC(=O)[C@@H](CNC(=O)Cn1cnc(C#N)n1)Oc1ccc(Br)cc1 586841610 KZOMXEHHWHSMCR-GFCCVEGCSA-N 408.212 0.649 30 20 HCED COC[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H](C)O1 587648125 QXBMCCHWJJSVCC-WMLDXEAASA-N 401.467 0.301 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)nc1 588781440 QXQRYIIHMVFAIK-SFHVURJKSA-N 424.505 0.509 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(c3ncccn3)CC2)n1 589393349 TXKXZHZXQCFWGP-UHFFFAOYSA-N 403.406 0.216 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 604169307 ZNCQXNNRDXRNGD-UHFFFAOYSA-N 412.837 0.993 30 20 HCED N#Cc1ccc(N2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)CC2)nc1 604196019 BAQWKRWVFPEBRE-UHFFFAOYSA-N 419.239 0.327 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C(N)=O)C3)CC2)cc1 609483376 RAKLGWJVEFUUER-INIZCTEOSA-N 404.492 0.683 30 20 HCED N#Cc1ccccc1OCC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 609984640 TZGCIEVQKHVHTK-UHFFFAOYSA-N 408.462 0.912 30 20 HCED COCCNC(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 610798169 LGNHLOMUWPJKMX-CQSZACIVSA-N 422.507 0.226 30 20 HCED C=CCN(C(=O)Nc1ccccc1CN1C(=O)CNC1=O)[C@@H]1CCS(=O)(=O)C1 678887661 YYLBKFBRSKINQT-CQSZACIVSA-N 406.464 0.945 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)NCCc2ccccc2C)C1=O 726043266 MJCLQCJKRHKAMS-CQSZACIVSA-N 401.419 0.562 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 726669436 BPTAXCOUWCSOHO-CYBMUJFWSA-N 409.464 0.546 30 20 HCED CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OCC#N)cc2)c2ccccc2O1 727947054 CQQHZWPHGOKCRF-SFHVURJKSA-N 408.414 0.745 30 20 HCED N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)cc2)nn1)C(=O)N1CCS(=O)(=O)CC1 732910678 RYWRAMSMDNUEDH-ZDUSSCGKSA-N 407.839 0.500 30 20 HCED CN(C)c1ncc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1C 733970474 WHQNMZBWZTVXKR-UHFFFAOYSA-N 404.496 0.621 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(C#N)CCC2)CC1 736841558 GTYXIFDKQHDGCF-UHFFFAOYSA-N 416.459 0.628 30 20 HCED CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 744022943 BMVIOTPMYHIOSQ-NHMWIVBRSA-N 405.451 0.179 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NNc3nccn(C)c3=O)CC2)cc1 748079066 JHCSUXBPZCHJJH-UHFFFAOYSA-N 418.479 0.991 30 20 HCED COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1cccc(C#N)c1 751657158 LTRWJABQTNZRKT-QGZVFWFLSA-N 420.447 0.726 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](Cc1ccccc1)C(N)=O 754847379 WKVZBNBRVZUWAM-DYVFJYSZSA-N 401.444 0.865 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccccc2C(F)(F)F)CC1 755323065 ZGEOIVLVSGUXCF-UHFFFAOYSA-N 410.396 0.329 30 20 HCED CCS(=O)(=O)CCN(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 760041508 QPLDLQJSOLSWMC-LBPRGKRZSA-N 401.510 0.397 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2csc(CC(=O)OC(C)C)n2)CC1 761037811 QHJGOBGCCIEAGH-UHFFFAOYSA-N 400.526 0.222 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccn(C)c2)c1=O 763438479 VYBWBCOPPMCCLU-UHFFFAOYSA-N 409.471 0.431 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)cc1 764073604 HXOLGKKXNSKYQX-FXAWDEMLSA-N 418.563 0.696 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1Cc1ccon1 765145555 JQCUEDCNDQZJSZ-UHFFFAOYSA-N 415.862 0.552 30 20 HCED C[C@@H](CC(=O)NCC1(N2CCOCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 765698687 PVFNPPGMZBDYOE-AWEZNQCLSA-N 406.508 0.485 30 20 HCED C[C@H](CNC(=O)c1cccnc1)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 766398381 QNLLRXITXPKAOE-ZIAGYGMSSA-N 416.459 0.982 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN(Cc2cscn2)CC1)c1cc[nH]n1 772145849 LAISIIOONFPLON-UHFFFAOYSA-N 406.468 0.494 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(NS(=O)(=O)CC)c(OC)c1)[C@@H]1CCCO1 773802319 ZSTNYEXWSVVRTH-HIFRSBDPSA-N 409.464 0.692 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)C(F)(F)F)CC2)c1=O 774667353 TVAKLDYXWAKJTH-UHFFFAOYSA-N 402.373 0.345 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)N1CCOCC1 776718243 QWFOEQWLQVSBRJ-HNNXBMFYSA-N 422.507 0.115 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(C(=O)O)cc1 777371417 PTGBAXYCGMGDEQ-UHFFFAOYSA-N 403.416 0.619 30 20 HCED Cc1nc2c(cnn2C(C)C)cc1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 778308539 GMKMXLJLPKEXHR-HNNXBMFYSA-N 403.464 0.900 30 20 HCED COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1NC(N)=O 787700422 LONOUXYWFZIDED-UHFFFAOYSA-N 403.420 0.863 30 20 HCED C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 788346329 YDPJTUACEBUYLS-NIVANCOJSA-N 408.480 0.420 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 799270275 CKZUQAMUQVSBEQ-KGLIPLIRSA-N 402.407 0.479 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnn(CC(F)(F)F)n2)cc1 799462331 MXDMGRHNBIEJKB-UHFFFAOYSA-N 403.342 0.504 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2[C@@H](C)C(=O)NCCF)cn1 799862599 YHPLVVILTRDCNE-SMDDNHRTSA-N 424.502 0.977 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N([C@@H](C)C(=O)NCCF)C1=O 799863923 MBPUOBFJJFVHSB-CMPLNLGQSA-N 411.459 0.632 30 20 HCED C=CCOC[C@H]1NC(=O)N(c2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)C1=O 804204970 CZYVAGBYLXAQJV-GOSISDBHSA-N 415.494 0.524 30 20 HCED C#CCNc1nc(N[C@H]2CC(=O)N(C(C)C)C2)nc(N[C@@H]2CC(=O)N(C(C)C)C2)n1 804406311 WUAUPQGMORTXQX-GASCZTMLSA-N 414.514 0.759 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 807375840 IBWSJQZSAWRZNA-CQSZACIVSA-N 411.455 0.707 30 20 HCED CC#CCS(=O)(=O)NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 810777900 QLMZZSBBPRWEHH-IHRRRGAJSA-N 400.522 0.753 30 20 HCED C#CCN(C)c1cnc(-c2noc(-c3ccc(S(=O)(=O)CC(N)=O)cc3)n2)cn1 813340577 DJKGYXLYWCHJCT-UHFFFAOYSA-N 412.431 0.522 30 20 HCED CN(C)c1c(COC(=O)CSCc2ccc(C#N)cc2)c(=O)n(C)c(=O)n1C 814060197 GROKTZPJHZASJY-UHFFFAOYSA-N 402.476 0.998 30 20 HCED CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814883154 CFIRAVQQVYNGOL-HOCLYGCPSA-N 420.491 0.701 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F 815861590 PHGBMIWZHJQWNK-UHFFFAOYSA-N 410.471 0.375 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)NC(=O)c3cc(C#N)cc(N(C)C)c3)cc2C1=O 816036642 ROURWQXBNADOLE-UHFFFAOYSA-N 412.427 0.969 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)Cc1cccnc1 816335075 XYZZIGZIWKRFJE-OAHLLOKOSA-N 402.476 0.478 30 20 HCED CC#CCN(C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c1ccccc1 819249325 IRGUAAOUUOEYQR-JBXOJTMHSA-N 412.533 0.862 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 920002471 YDTFTIPBMNNPQB-DOTOQJQBSA-N 421.519 0.601 30 20 HCED CCS(=O)(=O)c1ccc(O)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 921243760 XFEKAAWCMABFEA-UHFFFAOYSA-N 423.472 0.863 30 20 HCED C#CCN1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 997356968 HQXZOWKPIWMIRW-LFZDHENXSA-N 402.539 0.299 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)CC1 1116943989 DVTDSHNSCFNVOY-UHFFFAOYSA-N 411.455 0.012 30 20 HCED COC(=O)[C@@H](COC1CCC1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1150790384 NGJGHUAUPLIBAN-CXAGYDPISA-N 423.491 0.794 30 20 HCED 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C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4c3OCCC4)C2)C1 1840169749 DKISQAKBRMYLSU-OAQYLSRUSA-N 416.478 0.539 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)[C@H](S)C(C)C)C3)C2)no1 1840365703 KGDMSUVSDODANB-IEBWSBKVSA-N 411.524 0.936 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Cn1ccnc1)CCO2 1840434021 OKOFPPPKLNCKPJ-RXVVDRJESA-N 402.495 0.779 30 20 HCED CSCC[C@@H](O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816046 NIBANIFKJSPDDW-BEFAXECRSA-N 411.524 0.251 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)CNCP(=O)(O)O)C3)ccc1F 1845202675 YKWKRGVVXIDIGR-UHFFFAOYSA-N 424.369 0.168 30 20 HCED CCS(=O)(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(C#N)ccc2F)C1 1845484593 IJSACUPOSNPYKH-ZDUSSCGKSA-N 422.482 0.842 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)NCCC#N)CC2)c1 10263150 PUPWQSUWWXUMOY-UHFFFAOYSA-N 421.475 0.863 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 15450469 HJJMCEJLNDFWRL-UHFFFAOYSA-N 400.298 0.505 30 20 HCED N#CCCNC(=O)COC(=O)CCNS(=O)(=O)c1cccc(Br)c1 24779294 NGJXZYAFKDIFJW-UHFFFAOYSA-N 418.269 0.691 30 20 HCED CCCN(CC#N)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 58910702 GGWAQDLGOMJAAR-UHFFFAOYSA-N 424.523 0.772 30 20 HCED CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC 427686882 SVCSMOQOJYAIOJ-NEPJUHHUSA-N 404.423 0.468 30 20 HCED CS(=O)(=O)C[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 429372468 MMSNUSHNECZNPL-CVEARBPZSA-N 410.565 0.823 30 20 HCED C=CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 431194426 TUHOUHINHZXCLA-CYBMUJFWSA-N 408.523 0.470 30 20 HCED Cc1cccc(S(=O)(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1C#N 443257779 QMCHOFNNNWOGGH-UHFFFAOYSA-N 423.516 0.958 30 20 HCED CC(=O)Nc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)ccc1C 446528019 STSMWJNKZILAQL-UHFFFAOYSA-N 401.467 0.966 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ccnn2C)C1 447041467 XXFJNMZDPWDRGM-HOTGVXAUSA-N 409.498 0.971 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2cccnc2)c1 448347661 BHJXCFDUDAHEDJ-UHFFFAOYSA-N 424.504 0.254 30 20 HCED N#C[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 464802183 NBVRAMZGIBUSSS-LBPRGKRZSA-N 402.270 0.868 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)CC2(C#N)CCC2)c1 477530787 PFVZUHAFOUZARG-UHFFFAOYSA-N 400.482 0.146 30 20 HCED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2C(=O)C(=O)NC[C@H]2C1 485423628 OIWBNSBZUASBOF-STQMWFEESA-N 415.519 0.858 30 20 HCED CCN(CC#N)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 492181092 LFAWNNDAJSQVBJ-CQSZACIVSA-N 421.928 0.794 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](CN(C)C)C2)cc1 503276898 SOUVNUIBXWLODJ-OAHLLOKOSA-N 408.524 0.842 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2nc(C)no2)C2CCOCC2)CC1 506783633 YCTFBSCIOJAETI-KRWDZBQOSA-N 406.487 0.475 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)CCN1Cc1ccccc1 513064716 OCFFLUURDDTRON-LJQANCHMSA-N 416.445 0.837 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 516760338 MHRLJDINKYUWNZ-GOSISDBHSA-N 402.520 0.987 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1=O 523002643 VIXGRNQPOPPKCV-LBPRGKRZSA-N 407.448 0.586 30 20 HCED COCCCN(C(=O)C(=O)Nc1ccc(C#N)cc1OC)[C@@H]1CCS(=O)(=O)C1 526095607 YQMTVXLBLXWVCH-CQSZACIVSA-N 409.464 0.558 30 20 HCED N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c[nH]1 538708527 LRIJELSXYYNYKU-UHFFFAOYSA-N 415.431 0.364 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 542830237 XZYVHEFHWOUZSU-UHFFFAOYSA-N 424.509 0.786 30 20 HCED CN(C)S(=O)(=O)c1ccc(S(=O)(=O)CC(=O)N(CCC#N)CCC#N)cc1 558872900 QUIJIYKZACDYQW-UHFFFAOYSA-N 412.493 0.367 30 20 HCED C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 561729281 GRCRCWYDOZMHFV-LBPRGKRZSA-N 403.478 0.846 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1 568032531 GXGHBDYSCNQSSK-CQSZACIVSA-N 401.510 0.257 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4ncccc4F)C3)CC2)c1 569497009 FGTJOXCMWCAMTA-INIZCTEOSA-N 423.452 0.531 30 20 HCED CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 575032583 SBBNLJDIDRATEB-OLZOCXBDSA-N 416.463 0.549 30 20 HCED COCc1noc(CN2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n1 576380481 SUKVCKZKTVYWHA-UHFFFAOYSA-N 406.468 0.074 30 20 HCED CCO[C@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1(C)C 577310358 PSWINIJQMFDMFE-MGPUTAFESA-N 412.450 0.760 30 20 HCED Cc1nn(C)c(C)c1CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 585723206 NSWOSTFFKSGSCI-UHFFFAOYSA-N 411.466 0.739 30 20 HCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 589159623 WRYZZQDGUZZFOM-UHFFFAOYSA-N 413.455 0.982 30 20 HCED COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 601909086 PBXDSSPUHQHUHW-UHFFFAOYSA-N 414.443 0.887 30 20 HCED COc1cc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)c(C(=O)N2CCCC2)cc1OC 609283060 RKYULJQMIRIHAG-ZDUSSCGKSA-N 416.434 0.629 30 20 HCED CN(CCC#N)C(=O)CCN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 611302661 OLDZALGGCUKKQL-UHFFFAOYSA-N 406.508 0.610 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)C1 727010518 BSKWRJDJLMVOCI-MRXNPFEDSA-N 401.419 0.633 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)[C@H]2CCOC2)c1 730396231 OBPBNQGOKHRCKJ-IXPAQYDLSA-N 408.480 0.685 30 20 HCED N#Cc1c[nH]ccc1=NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 735439274 QVTFPIKSMKFPAH-CQSZACIVSA-N 412.427 0.951 30 20 HCED C#CCCN1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 740736247 KXBLNUHHIFRGPL-UHFFFAOYSA-N 420.535 0.388 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC)Nc2c([N+](=O)[O-])c(C)nn2C)CC1 741140523 KQWBJIKLTFZYIU-HNNXBMFYSA-N 419.486 0.111 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1C1CC1 743726232 JPLRBPLYQIZHHV-UHFFFAOYSA-N 401.492 0.117 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 747278284 NRYMDGNYMYZVAT-UHFFFAOYSA-N 418.519 0.407 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)CC1 747737746 FYLZKUPNADABCM-QFIPXVFZSA-N 410.474 0.750 30 20 HCED CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(=O)(=O)c1cccnc1 754386528 RWOPSQSXQDBNRT-AWEZNQCLSA-N 423.495 0.674 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 755491013 BLSAHWZFVFWADI-IKBYJFNHSA-N 408.480 0.491 30 20 HCED C[C@H](CC(=O)N[C@H](CO)Cc1ccc(O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 757671937 OYKYCWHAHHKIEI-HIFRSBDPSA-N 417.487 0.929 30 20 HCED C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3ccc(C)c(OC)c3)no2)CC1 761032926 OYOLZONHQXYLCJ-UHFFFAOYSA-N 405.480 0.639 30 20 HCED C#CCOc1ccc(COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 765131061 IHGBKWUSCSMDEL-OAHLLOKOSA-N 404.444 0.907 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 766985901 JPOVKYAOWWQNJO-UHFFFAOYSA-N 418.387 0.710 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)COc2ccccc21 766989580 CCRKACOKPRKOKS-UHFFFAOYSA-N 401.400 0.797 30 20 HCED COC(=O)C[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 768548575 WUZHWSJTQBNAIN-GOSISDBHSA-N 409.464 0.344 30 20 HCED CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 770797751 KCWZBWHGVDXPMN-OAHLLOKOSA-N 411.422 0.484 30 20 HCED Cn1ncc2c(N3CCN(C(=O)COC(=O)C#Cc4ccccc4)CC3)ncnc21 773451028 FQEWOUPEBKWVJX-UHFFFAOYSA-N 404.430 0.607 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)COC)cc1)[C@@H]1CCCO1 773796518 LUAWOFQYYXECKT-COXVUDFISA-N 423.491 0.235 30 20 HCED CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1cc(O)cc(C#N)c1)C2=O 776278729 GAZXVJMRXIRHND-UHFFFAOYSA-N 400.391 0.953 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 780051296 UZPFPVGCYDODJP-INIZCTEOSA-N 413.478 0.683 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC2(CCOCC2)C1 784806318 DNCJUYIOWCEPNY-UHFFFAOYSA-N 407.492 0.771 30 20 HCED C[C@@H](C#N)CNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786403734 WOSSPVZZJLLUGT-ZDUSSCGKSA-N 417.470 0.748 30 20 HCED C=C(Br)CNC(=O)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C 787473698 NUCBZXGGLBJEJB-UHFFFAOYSA-N 407.290 0.590 30 20 HCED CCN(CC)C(=O)C1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787775642 ANGXXRGFYDJIET-UHFFFAOYSA-N 400.483 0.588 30 20 HCED C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC2(CCOCC2)O1 791058955 IQNGYXJUDHWDRZ-AWEZNQCLSA-N 407.492 0.912 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2=O)cc1 792658600 MDYSVTMRIFKLGU-MRXNPFEDSA-N 416.434 0.876 30 20 HCED CC(=O)NCC(=O)N1CCc2cc(C(=O)NS(=O)(=O)CC3(C#N)CC3)ccc21 793204941 UUXJVTGWPOYXCR-UHFFFAOYSA-N 404.448 0.075 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)C1=O 793643658 GHJDABNDYCVRHD-CABCVRRESA-N 408.499 0.651 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(N3CCOCC3)ccc2C)CC1 797531971 BHXBXVGKVJTSKV-UHFFFAOYSA-N 412.490 0.758 30 20 HCED C#CCC[C@H](O)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 799078172 ZPZKOFLFKFDKHN-AWEZNQCLSA-N 406.508 0.647 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)c(F)c1 802559224 IYXFYWOPENOJCE-UHFFFAOYSA-N 401.373 0.327 30 20 HCED CCc1cc(N2CCC(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)CC2)ncn1 808446512 KQTABIVJIWHWJZ-UHFFFAOYSA-N 422.493 0.619 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273159 AIKUQHDQKRMJCG-UHFFFAOYSA-N 407.446 0.773 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274051 SJYNVWZODPSPBA-UHFFFAOYSA-N 407.446 0.796 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)OCC(=O)N(CCC#N)CCC#N)c1=O 875114290 YKXRFDJFDJWRNH-UHFFFAOYSA-N 411.418 0.382 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn(-c4ccccc4)nn3)CC2)o1 915390305 PLTFUYJHNLUKON-UHFFFAOYSA-N 421.417 0.941 30 20 HCED COc1ccc(C(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1 916869173 DEMWXVBJTZYKRZ-OAHLLOKOSA-N 421.475 0.661 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 916891156 QOINGXXPMQLWFF-CYBMUJFWSA-N 422.235 0.907 30 20 HCED C=CCn1cccc1C(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](OC)C1 944840017 CFMCSPXNFIQBKV-AEXBHSQCSA-N 403.479 0.681 30 20 HCED Cn1cc([C@H]2C[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)cn1 1183571988 PSWAXXMMQGIAHN-NVXWUHKLSA-N 403.464 0.607 30 20 HCED CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 1298879237 NROYHSJBJGMOFN-VGSWGCGISA-N 423.521 0.975 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301966556 VWHLNFHAPILYQE-KBPBESRZSA-N 404.500 0.612 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1316127386 VYUTTWWNSZMCBV-UHFFFAOYSA-N 407.482 0.762 30 20 HCED CS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1316348753 OGJHOANAOVIOAS-MRXNPFEDSA-N 407.431 0.412 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(n3cc(Cl)cn3)CC2)c1=O 1320193099 YOQLCIXQEAMZSH-UHFFFAOYSA-N 406.874 0.688 30 20 HCED COc1ccc(OC)c2c1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C[C@H]2O 1322603641 XDBKHHWSFWKEOV-BVGIJJTOSA-N 401.419 0.996 30 20 HCED CC(=O)N[C@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1324632069 SZYDCCPCQFYVGG-SJORKVTESA-N 412.446 0.581 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCC1 1359473821 ITXRDXBEXBHCPG-KGLIPLIRSA-N 412.516 0.122 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CCS(=O)(=O)C1 1492912107 VTWDFZDNICWRRI-HIFRSBDPSA-N 416.511 0.398 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CCOCC1 1499164213 LJWPYDFJXOKAQS-HNNXBMFYSA-N 412.498 0.759 30 20 HCED CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1554503701 JIEVMSHGJOJDDM-UHFFFAOYSA-N 414.495 0.699 30 20 HCED Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1618437760 ZJRBYAIIZXEVIA-IBGZPJMESA-N 418.523 0.963 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NCCn2ccc(C(F)(F)F)n2)c1 1639026729 RRVWNQHJCOUWIV-UHFFFAOYSA-N 401.370 0.868 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(O)CCOCC1 1706071863 YSQJYSFQKAWNDA-ZIAGYGMSSA-N 414.532 0.416 30 20 HCED N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)CCO1 1712884298 JVQWBMWESWFGGZ-HIFRSBDPSA-N 400.443 0.402 30 20 HCED C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1722557332 WJTCJQKJLJVQTF-HZSPNIEDSA-N 419.935 0.977 30 20 HCED COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1)OC 1730470130 OBASWNUFRITEQP-IRXDYDNUSA-N 411.466 0.692 30 20 HCED N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(=O)NCC(F)F)cc1 1731184340 KISNAUARNYWSGV-UHFFFAOYSA-N 403.393 0.524 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CCc3nc(N)n[nH]3)C2)C1 1778849241 DLFUECVSFZZZRE-QRWLVFNGSA-N 402.499 0.918 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@@H]3CC[C@H](C(=O)OC)C3)CCO2)C1 1778964199 FASKDXDQRIXSHR-VLMPBXDWSA-N 422.522 0.979 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(=O)n3O)CCO2)C1 1778966802 GHVNMQJVVDSMNC-YWZLYKJASA-N 405.451 0.102 30 20 HCED CCCC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1779253747 JSKHVMRKAJOAAX-ROUXWODSSA-N 418.494 0.833 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C2 1779329881 FGYYCZZXHLURHZ-YJPQMCDFSA-N 409.527 0.585 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(CCN(C(=O)c4cnncc4C(=O)O)C3)C2)c1 1779528809 KAPNBYOQKBPXJV-IBGZPJMESA-N 410.390 0.132 30 20 HCED CN1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1781028157 YBOLKADTKAJDHY-DYESRHJHSA-N 405.543 0.582 30 20 HCED C[C@@H](C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2)N1CCN(C)CC1 1781096832 JJPLMGDPDVAPIQ-UWJYYQICSA-N 403.527 0.146 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(CC)nn1C)CCO2 1781270793 WKOBZSLPZMNTLX-NRFANRHFSA-N 418.494 0.935 30 20 HCED CCNC(=S)NCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1782638281 AVHSJOVPQABDGT-PBHICJAKSA-N 402.586 0.255 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C2(C#N)CCC2)C1 1783127281 OFIJFNBCFSWJFY-QFIXIFRTSA-N 421.494 0.810 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC[C@H]3CCOC3)C[C@@H]21 1783533053 MSIHNJUSXOABMD-QVOCJYIESA-N 419.522 0.641 30 20 HCED COC(=O)NCC(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(C)cc(C#N)c1)CCO2 1784262552 VSHJDXUSRAEWAH-HXUWFJFHSA-N 400.435 0.666 30 20 HCED C[C@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#CC3CC3)[C@H]2C1)[C@H]1SC(=N)NC1=O 1784383152 SADUWEVPHSPJQY-KDUQRTNCSA-N 418.519 0.182 30 20 HCED CC(C)(C)OC(=O)NCCCC(=O)N1CC[C@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1785570190 INXCTYNWPFPGNM-HXUWFJFHSA-N 423.466 0.209 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(O)n3)C[C@@H]21 1786857245 HFRRYANFUNIHIQ-ZOBUZTSGSA-N 415.494 0.662 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]2C1 1786893535 KFDNNOQOWJPEKG-QAETUUGQSA-N 411.499 0.012 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CC(F)(F)C(=O)O)[C@H]2C1 1787437294 ZCRLQYSNYNMLCD-XUXIUFHCSA-N 418.437 0.649 30 20 HCED CCC1(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)/C=N/N4CCCCC4)[C@H]3C2)COC1 1788603761 RFNUSHRTSBKOBH-QTMVJWEZSA-N 406.527 0.864 30 20 HCED C=CCC(F)(F)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cnc(O)nc3O)C[C@@H]21 1790877769 VEQMPYPJKHMACC-DRZSPHRISA-N 412.393 0.693 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(C)nc1C)C2 1792490389 ZKOURXWPAWKKDK-KAXDBTLWSA-N 412.490 0.760 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC(=O)OC(C)(C)C 1793588280 IQBSTSGUIYFIBQ-BBVDOIIUSA-N 421.494 0.166 30 20 HCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cc2ncccn2)ccc1F 1794190300 KKIIZVLYDKZZRU-FAQVEIGNSA-N 423.448 0.862 30 20 HCED N#Cc1cccc(CCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCCC2=O)c1 1795448906 PGAJRDHAFSNPDV-BBIADKPPSA-N 424.501 0.703 30 20 HCED CC(C)(NCCC#N)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC1CCOCC1)C2 1795598485 HZMGLARVVXAPCY-IZZQQSIFSA-N 406.527 0.675 30 20 HCED O=C(Cn1cccn1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1795870892 YMHALPNKSLIAKH-UJMKQVNYSA-N 405.455 0.002 30 20 HCED CN[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3ccc(C#N)cc13)C2)C(=O)O 1796095650 XBLXVICJMHMOSB-LOUJCGABSA-N 424.461 0.749 30 20 HCED C#CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1nn(-c2ccccc2)c2c1COC2 1796099401 YKRKIRAGSUVYJV-YVWYUNDQSA-N 406.442 0.739 30 20 HCED C#CCCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](C)[C@@H]1SC(=N)NC1=O 1796428050 HTOYMYXUHHCUGN-WDTWZTHCSA-N 420.535 0.572 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnc(C)s1 1796733431 SVIXFEGONRBRGS-OLDVJPBNSA-N 404.492 0.513 30 20 HCED O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2)c1ccc2ncnn2c1 1797556853 DZQNACCBBKJPFD-HATOLVCRSA-N 415.453 0.984 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1797708045 AIGXWSSBFVFHRM-LOUJCGABSA-N 405.451 0.269 30 20 HCED CC(C)O[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@@H]1CCCCO1 1797815673 TUYAYWRUBPLDMQ-FZRVHKMUSA-N 411.499 0.919 30 20 HCED CN1CCC[C@@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)C(C)(C)NCCC#N)C3)C1 1799114130 XETAJHXEXPXYQJ-ZJPYXAASSA-N 405.543 0.200 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2 1799304844 AQBLCSPDMKGBMO-ZSBFGKGUSA-N 419.434 0.205 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc(O)nc(O)n2)C3)c1 1799799778 XNRUPPRSFLSFCS-JLVBRIDZSA-N 423.429 0.585 30 20 HCED C=CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@H](O)Cc1ccccc1 1800632103 KKEBFBIHOMESNG-XIKSMUEASA-N 402.491 0.771 30 20 HCED Cn1cncc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccccc1C#N 1801991455 VSSPQZLYHVKMTG-CWPLJXCYSA-N 409.446 0.574 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cn2ccccc2=O)[C@@H]1c1cccnc1 1803543517 MIYUHODTGPHBCR-ZWCUEREDSA-N 422.485 0.988 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCC2(CCCN(C(=O)CN3C(=O)CNC3=O)C2)CC1 1806582997 ZKBGLNQNHVQXPG-MRXNPFEDSA-N 410.540 0.724 30 20 HCED CC(C)(C#N)C(=O)N1CC[C@@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807045377 YQKIRBMHKYRHKH-YQQAZPJKSA-N 400.483 0.230 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)c2ccnnc2O)[C@H]1c1cccnc1 1811220349 DEMQOUDBMXSFAY-UWWQBHOKSA-N 409.446 0.935 30 20 HCED C#CC(=O)N1CC[C@H](CNC(=O)c2cc(=O)nc3cccnn23)[C@H]1c1cccnc1 1811337215 JKRTYFMKCFHMNK-FOIQADDNSA-N 402.414 0.437 30 20 HCED CCOc1ccc(C(=O)N2CC[C@@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1 1812877810 PURUZVKKPRPFPM-MGPUTAFESA-N 423.429 0.678 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C#CC2CC2)n[nH]1 1815118015 JCPLRWKBNXUIBI-YOEHRIQHSA-N 403.439 0.880 30 20 HCED COc1ccc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)C(O)O)[nH]n2)c(C#N)c1 1820835440 YWBYUDDBZXPAQR-INIZCTEOSA-N 413.434 0.835 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCC(C)CC3)C2)C1 1831419345 KUPZHBQEJMPPCP-UGKGYDQZSA-N 423.554 0.766 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc5nonc5c4)C3)C2)CC1 1835341738 CDOIINXEKYWXFL-HXUWFJFHSA-N 411.418 0.597 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(C=O)s4)C3)C2)CC1 1835342712 MEQBCCFFCOSYKH-LJQANCHMSA-N 403.460 0.934 30 20 HCED COCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674686 DVYIDBFLBJVENK-HXUWFJFHSA-N 410.515 0.151 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3ccnn3)CCO2)C1 1836209632 WJMPLEVEUPSXFY-YLJYHZDGSA-N 403.483 0.503 30 20 HCED C[C@H](NC=O)C(=O)N1CCC(N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 1836259570 RBGRLPCQGKTXPK-INIZCTEOSA-N 411.506 0.878 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCCN3C)C2)C1 1837390887 FJJAXFBAQKYFNX-SPEDKVCISA-N 423.554 0.500 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC[C@@H](N)C(N)=O)C2)C1 1837663097 NZGGTJHXOFOAJE-IERDGZPVSA-N 424.542 0.028 30 20 HCED C[C@@H](CN)C(=O)N1CCC(OC2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1837829913 JOAONQZLYNDGLU-INIZCTEOSA-N 407.559 0.862 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnc(C)c3)CCO2)C1 1837934816 NNRZWEMHIHENFY-DYESRHJHSA-N 401.463 0.498 30 20 HCED COc1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc(Cl)n1 1838228331 BIMNVSCQWCVJNN-GOSISDBHSA-N 408.842 0.727 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccncc3)CCO2)C1 1839060405 QISJPQGURUMBHO-GCJKJVERSA-N 417.506 0.654 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCN(C)CC3)C2)C1 1839222611 SZMFHVYHFBOJHY-LAUBAEHRSA-N 424.542 0.586 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CC(O)C4)C3)C2)c1 1839450893 MHCIMBKLTVRAEK-AJTFCVKESA-N 413.474 0.708 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2 1839778314 RQPXXTRRLXQBNI-NRFANRHFSA-N 424.494 0.379 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)OCC)C2)C1 1839888194 WVEAQJKMSKWWSH-DUMMIQTOSA-N 416.421 0.774 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C2)C1 1840044222 RDVXEUDAJUQSFT-JBYIUTFZSA-N 412.442 0.335 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1[C@H]3COC[C@H]31)CCO2)C(F)(F)F 1840609758 SWOGFNPIHJCUSA-CFAJVAMVSA-N 404.385 0.454 30 20 HCED O=C1CN(CC(=O)N2CCCC23CN(C(=O)C#Cc2ccc(Cl)cc2)C3)C(=O)N1 1841890553 VHHOMNLWBUDXQM-UHFFFAOYSA-N 414.849 0.447 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(CC#N)c3)CC2)C[C@H](C)O1 52561646 NLWPUHZJYZPPJI-HOTGVXAUSA-N 406.508 0.864 30 20 HCED COc1ccc([C@H](CNS(=O)(=O)N2CCO[C@@H](C#N)C2)N2CCOCC2)cc1 409518689 GHLHAJHNPMSIQP-ROUUACIJSA-N 410.496 0.127 30 20 HCED CCC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)N1CCc2sccc2C1 410121715 XRYPIIQHZZFIST-GJZGRUSLSA-N 412.537 0.860 30 20 HCED COc1c(C)cnc(Cn2cnc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)n2)c1C 434832277 CVGFSISWNSIZJH-UHFFFAOYSA-N 411.466 1.438 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H]2C[C@@H](N(C)C)CC[C@@H]21 437753500 CBEPULWRVUZLFY-OYSPMZIOSA-N 420.535 0.935 30 20 HCED CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 438735307 BYFGMCAIUZFZQH-UHFFFAOYSA-N 415.494 0.791 30 20 HCED CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 443475819 MVHVWFQRYXTHOM-IRXDYDNUSA-N 412.537 0.580 30 20 HCED Cc1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)ccc1C#N 443872496 AMSDVJIOVFZTAG-QGZVFWFLSA-N 413.521 0.682 30 20 HCED Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)nn1[C@H](C)C1CC1 446523117 NFZKSKMKDKBYEA-MRXNPFEDSA-N 402.499 1.176 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1 446532531 RCJXXEGSUIQVJX-UHFFFAOYSA-N 407.858 0.452 30 20 HCED N#Cc1ccccc1CSCCNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 468151392 XLSPEOPKWRPZBJ-UHFFFAOYSA-N 422.488 0.578 30 20 HCED CCN(CCO)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 469639630 AGRLGJXPQUFYDS-UHFFFAOYSA-N 404.858 0.766 30 20 HCED N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 470554232 XAOQZALDRRBLHG-LSDHHAIUSA-N 416.459 0.955 30 20 HCED CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C1 476315127 PDCSJPJQOUCGHH-MSOLQXFVSA-N 418.519 0.978 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cccc(OCC)c2)CC1 477886046 ZKOXGDCULMIDOJ-MRXNPFEDSA-N 402.495 0.709 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(CS(N)(=O)=O)c1 481502222 OKABYLKHUOGSGV-GFCCVEGCSA-N 422.488 0.652 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(COC)o2)c1=O 481588352 UAHAORKRBGCQDK-UHFFFAOYSA-N 417.487 0.491 30 20 HCED N#CCCN(C(=O)CN1C(=O)[C@@H]2CN(C(N)=O)CCN2C1=O)c1cccc(Cl)c1 482060533 JTWXRMYPSZUWAN-AWEZNQCLSA-N 418.841 0.614 30 20 HCED CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)C(=O)N2CCc3ccc(C#N)cc32)cn1 488623195 CTAZSEACOIYQHF-RBSBEOHCSA-N 411.487 0.996 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)CC1 499904978 BXTKNJWLQLNAFK-DLHHKTKFSA-N 423.494 0.718 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc4occc4c3)c(=O)n2C)CC1 505661364 MSPCGLXRJGXTSA-UHFFFAOYSA-N 422.510 0.860 30 20 HCED COCCCS(=O)(=O)NCC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 508391608 LRTCSRHDGJGOJX-UHFFFAOYSA-N 410.496 0.715 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)c1 509390079 UNYYCQWZMYYTDP-GOEBONIOSA-N 424.475 0.718 30 20 HCED C=CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377943 JDRRVZCMSLOWDM-CYBMUJFWSA-N 408.480 0.015 30 20 HCED CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(CC#N)CC2)c(OC)c1 534148033 NQKSRYXCCWVSQO-UHFFFAOYSA-N 416.525 0.677 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCCN3CCC(O)CC3)n2)c(F)c1 542066770 XWMDXDXNAMMPOX-UHFFFAOYSA-N 414.441 0.785 30 20 HCED CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 543266839 CPPOXFMKVRLIIX-AWEZNQCLSA-N 424.479 0.062 30 20 HCED CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)CCSC1 550833951 CAYABXRAACMOOJ-FQEVSTJZSA-N 401.536 0.760 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1ccn(-c2ccccc2)n1 552966801 QEQZVMUJOYIHEF-UHFFFAOYSA-N 420.477 0.799 30 20 HCED C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nnc2n1CCC2 555860534 GAHVKFIXDGLKJW-OAHLLOKOSA-N 409.494 0.864 30 20 HCED CNS(=O)(=O)NC1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 556790723 HKQZKLXZAXLUJO-UHFFFAOYSA-N 410.496 0.771 30 20 HCED Cc1nnc2n1C[C@@H](CNC(=O)C(=O)N1CCN(c3ccccc3C#N)CC1)CC2 557868792 ASRBXNSKWIYDDW-MRXNPFEDSA-N 407.478 0.486 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N(CCO)C3CCOCC3)C2)c(F)c1 561782140 AKLBCCXNQYVVRB-INIZCTEOSA-N 418.469 0.782 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 566553793 WQEAYTNLQNZYSI-MRXNPFEDSA-N 409.450 0.176 30 20 HCED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 567019330 CETAXBZDDHQFLV-LPHOPBHVSA-N 400.479 0.513 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cncc(C#N)c3=O)CC2)cc1C 568142572 UXDKXURAWBGYRG-UHFFFAOYSA-N 415.475 0.265 30 20 HCED COCCNC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 570862904 TUVULGDROVFIQQ-INIZCTEOSA-N 410.496 0.130 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 576364902 QJOKJJVONUWPQV-INIZCTEOSA-N 400.435 0.839 30 20 HCED Cn1cnnc1[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 588865035 BYHBLHVBOSFKGR-IRXDYDNUSA-N 421.461 0.662 30 20 HCED C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 592076684 ZBRRQQCUJCVOTC-UHFFFAOYSA-N 420.535 0.577 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1CC(C)C 603796043 JRWATPFDFFBFGS-UHFFFAOYSA-N 403.479 0.971 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1Cl 604031799 OWIRLTAUHXHAGS-NSHDSACASA-N 405.885 0.183 30 20 HCED CCOC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 604273800 LARRVKLMMDPSNH-UHFFFAOYSA-N 420.535 0.892 30 20 HCED N#CCn1c(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc2ccccc21 609170886 ZLOVKXSPGAJBKP-YJBOKZPZSA-N 402.476 0.392 30 20 HCED Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)N1CCO[C@H](C#N)C1 609282796 SCNJQBNJRYMSKS-CQSZACIVSA-N 408.480 0.713 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1[C@H]1CCOc2ccccc21 610245134 WKBRKINIFWBOPZ-KRWDZBQOSA-N 418.478 0.926 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 615256264 IFDMTBCHYHXGTB-UHFFFAOYSA-N 401.467 0.401 30 20 HCED CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cc2)CC1 615632443 OLODUVFLZIDVCV-FQEVSTJZSA-N 401.442 0.406 30 20 HCED C=CCN(C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)[C@H]1CCS(=O)(=O)C1 681430296 INGHUMAJXOHGLT-GJZGRUSLSA-N 406.464 0.644 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCCCCN2C(=O)c3ccccc3C2=O)C1=O 726043577 YCOLFTHIFNNCGC-UHFFFAOYSA-N 413.386 0.583 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1 728533346 GSIOMQZJOCNLLD-UHFFFAOYSA-N 412.490 0.624 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 734433575 CABZKPIWDAWZBH-FXAWDEMLSA-N 416.909 0.753 30 20 HCED CCN1CCN(CCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742538427 CXZKGXGLGPTOBO-INIZCTEOSA-N 421.567 0.648 30 20 HCED CC(=O)N1CCC(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742643852 YTPMGDBOIBXKMS-CYBMUJFWSA-N 406.508 0.878 30 20 HCED Cn1cc(C#N)c(=O)n(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1=O 743260574 CCIBIJGTSVVBDF-IRXDYDNUSA-N 414.462 0.916 30 20 HCED CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)cc21 743883425 IEMDAPDDZGCRFM-UHFFFAOYSA-N 419.445 0.821 30 20 HCED CC(C)[C@H](CCO)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749728933 TXGKWGYITDIOSJ-UDWOFDDZSA-N 424.523 0.961 30 20 HCED COC[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C1CC1 750303602 XLOFBRPXWTWEDB-VBUUPXLYSA-N 422.507 0.979 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)cc1C#N 752405935 UKVIBHUHBFZAAA-CYBMUJFWSA-N 403.439 0.590 30 20 HCED CC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC1 752768436 NVQSROBQXJBPRU-OAHLLOKOSA-N 422.507 0.259 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc4ncccn34)nc2)CC1 755552426 HWAWYEZLLLOPJH-UHFFFAOYSA-N 400.468 0.506 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1 756919653 HRXMNOHKPWEXFK-OLZOCXBDSA-N 405.455 0.726 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)cc1 757291798 LRBKSIHMKJJHAK-AWEZNQCLSA-N 417.433 0.605 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OCC)C2CCOCC2)cc1 759951074 VWRCIEJCSQOTTC-QGZVFWFLSA-N 408.476 0.686 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 761031274 PONKPOJVCYCVQR-INIZCTEOSA-N 421.498 0.546 30 20 HCED Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCCO3)c2=O)c1 763466669 SXIYFEGWMGRFQU-MRXNPFEDSA-N 412.515 0.599 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(C[C@@H]2CCCO2)CC1 765523883 CDVAJMNRGUVFAO-QAPCUYQASA-N 420.535 0.985 30 20 HCED COC(=O)c1cc(C(=O)OC)n(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 765672346 AAJFVBRUWMVZFW-UHFFFAOYSA-N 414.422 0.973 30 20 HCED C[C@H](CC(=O)N1CCC[C@@H]1c1nncn1C)/N=C1/NS(=O)(=O)c2ccccc21 768010729 GCMQJCAWTJTSGS-TZMCWYRMSA-N 402.480 0.996 30 20 HCED C[C@H](CC(=O)N1CCO[C@H](c2ncon2)C1)/N=C1/NS(=O)(=O)c2ccccc21 771466224 WRKPJEDXXMOZGL-YPMHNXCESA-N 405.436 0.487 30 20 HCED Cc1cc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)n1-c1nccs1 771898174 VVIBNTOJHJHWIJ-UHFFFAOYSA-N 422.492 0.260 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)cn1 772311741 QBJFYZXSQGBNIS-UHFFFAOYSA-N 408.443 0.025 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C(=O)Nc3ccccc3S2(=O)=O)CC1 779761061 HGHPREJPPILNPS-OAHLLOKOSA-N 405.480 0.915 30 20 HCED C[C@H](O)C[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 783362835 IYWBGSYTXSAMHV-ZUINKLJDSA-N 410.496 0.714 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)c1 783452519 FSIGOWNKMGNDNJ-UHFFFAOYSA-N 406.442 0.992 30 20 HCED C#CCN(C(=O)C(=O)N1C[C@H]2CCCN2c2ccccc21)[C@@H]1CCS(=O)(=O)C1 783481758 XRBGGBYJFZOQAC-HZPDHXFCSA-N 401.488 0.651 30 20 HCED NC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 784960927 XDPLLOGNASBJNI-OAHLLOKOSA-N 419.434 0.894 30 20 HCED 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0.564 30 20 HCED CN(C)c1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)nc1 1825664114 PYIRSUKTUFSMCH-LLVKDONJSA-N 413.459 0.918 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)C#CC(=O)O)CC1 1827644005 OZJFPXSKSJHKTO-RBUKOAKNSA-N 412.490 0.659 30 20 HCED O=C(C#CC1CC1)N1CCC([C@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)CC1 1828963757 HOTVNOHVGGZZKT-TZIWHRDSSA-N 403.523 0.670 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)COc4cccnc4)C3)C2)C1 1829663003 CWZMYQPTZBRPSE-OAQYLSRUSA-N 401.463 0.883 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCCS3)C2)C1 1829773660 PSEGQAHHHUKXEV-FRWFVBGZSA-N 423.535 0.197 30 20 HCED N#Cc1ccc(CC(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H]4CCOC4)C3)C2)cc1 1829907302 FYTSQZMUVXIJMZ-UGKGYDQZSA-N 413.474 0.594 30 20 HCED Cc1cc(Cl)ccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC(=O)O)C2)C1 1830124785 SLCQDMGFZVWUPY-HXUWFJFHSA-N 420.849 0.806 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c1 1831225738 YPBRPLFWEWDNIN-LAUBAEHRSA-N 400.479 0.622 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ncccn3)C2)C1 1831406471 QQWRXKUECBRKEN-HXUWFJFHSA-N 404.467 0.529 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cn[nH]c3)CCO2)C1 1832942138 IMRICPPLJXJLMJ-OXJNMPFZSA-N 421.498 0.600 30 20 HCED CC(C)[C@@H](S)C(=O)NC1CCN(C2CCN(C(=O)CN3CCNC3=N)CC2)CC1 1833490379 LGITXZIJRJTSPM-GOSISDBHSA-N 424.615 0.352 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cncn1-c1ccncc1)CCO2 1833656501 GXUCTWMOBUSFJI-QFIPXVFZSA-N 423.473 0.751 30 20 HCED N#Cc1ccc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnc[nH]2)CCO3)cc1 1834097717 QKADSHPMCFWWHW-OAQYLSRUSA-N 409.446 0.594 30 20 HCED CC(=O)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835672935 ODVGGGIYHSALKF-HXUWFJFHSA-N 408.499 0.094 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1836169618 KRTPWBZYUCRSFA-YUSOBQLHSA-N 415.450 0.052 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1837397698 SHLRYOCONPCLQN-OXQOHEQNSA-N 423.535 0.715 30 20 HCED CCN(C)[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837446018 FORGVNQQOJMAIQ-RZBRSOPZSA-N 423.558 0.255 30 20 HCED C[C@H](Nc1cnccn1)C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1837479973 VASDPJMSTSLFAZ-MGPUTAFESA-N 414.466 0.037 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)n1ccccc1=O)CCO2 1837691438 QEMOMUOONMAKBN-DOXZYTNZSA-N 409.508 0.184 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(F)nc3C)CCO2)C1 1838261611 GPCMSLNMTHANEJ-IERDGZPVSA-N 419.453 0.637 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc(C#N)c[nH]2)CCO3)no1 1838742114 RVEZTSLMTAVCTO-HXUWFJFHSA-N 413.434 0.496 30 20 HCED C#CCCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(CO)on1)CCO2 1838804964 CIUIKOSDQPXIOT-HXUWFJFHSA-N 405.451 0.431 30 20 HCED CCOc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)nn1 1838829608 HUSYZNYWLLRZJX-NRFANRHFSA-N 414.462 0.359 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](C)N(C)CC)CCO2)C1 1839641255 BXSQAFFZLIYHGD-FIKGOQFSSA-N 411.543 0.356 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)C2)C1 1840166503 MGPWHYMUIUFODK-KNQAVFIVSA-N 421.538 0.797 30 20 HCED CCC[C@@H](NC(C)=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1 1840856029 BWRJFVCKBRTAFU-UTKZUKDTSA-N 420.510 0.441 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CCOCCOCCOC)C2 1841055740 TZJVYYQJHWKDKJ-WAYWQWQTSA-N 423.510 0.118 30 20 HCED CCS(=O)(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)ON=C(C)C)C2 1841582195 MUWBFJCAIFQCDY-KGLIPLIRSA-N 402.517 0.319 30 20 HCED CN1CCN(CCC(=O)N2CCCC23CN(C(=O)C/N=C/c2ccco2)C3)CC1 1842827935 DPISYIXDTOCDEL-HYARGMPZSA-N 401.511 0.539 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2cnc3snnc3c2)C1 1844676037 GYHXGHGBEKUVTD-PLNGDYQASA-N 412.475 0.762 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)Cc1ccc(C#N)cc1)C2)N1CCN(C)CC1 1845096285 JPQAESPHYPTKGF-GOSISDBHSA-N 409.534 0.940 30 20 HCED N#Cc1cc(CC(=O)N2CCCC23CN(C(=O)Cn2ccncc2=O)C3)ccc1F 1845203583 BTMRZJVMGSMLJU-UHFFFAOYSA-N 409.421 0.700 30 20 HCED C=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)COCCO)C3)N(C(=O)OC(C)(C)C)C1 1846449774 OKNQCKUVLDEJFT-INIZCTEOSA-N 423.510 0.764 30 20 HCED COC(=O)CSCC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1(O)CCCCC1 1847814759 JLCUJDYOEUKGNY-HOTGVXAUSA-N 408.520 0.793 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)Nc2cc(C(=O)OC)ccc2C)c1=O 6112943 IZXVWGXFOSBVJV-UHFFFAOYSA-N 414.418 0.277 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(N)=O)CC1 53310406 NFMRVMLOLFKSFA-SFHVURJKSA-N 412.494 0.194 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2cccc(COC)c2)c1=O 53576868 SNVKRIFFOGRPIO-UHFFFAOYSA-N 400.435 0.007 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(CS(N)(=O)=O)CC3)C2=O)cc1 409670935 XVKDJHVLKGGHKK-QGZVFWFLSA-N 419.507 0.369 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)n1 439084078 ILUVTBHMJUMNNG-HNNXBMFYSA-N 413.413 1.297 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)C1=O 440262799 CZFFDZCAMKIKMK-INIZCTEOSA-N 412.446 0.519 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 446525967 DKPSXVCHXMFSEO-LSDHHAIUSA-N 409.439 0.831 30 20 HCED Cc1cc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)no1 460572545 JLXAYZKYJSNGMF-UHFFFAOYSA-N 420.433 0.718 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCCCn1ccnc1C 460617182 GZTXNKYJNJVRBE-UHFFFAOYSA-N 406.450 1.487 30 20 HCED N#Cc1cc(F)ccc1NC(=O)C(=O)Nc1cnn(C[C@H](O)CN2CCCC2)c1 462877615 ZEYHFNJPHVUYDT-MRXNPFEDSA-N 400.414 0.928 30 20 HCED N#Cc1c(CCCNC(=O)C(=O)Nc2cncnc2)nn(-c2ccc(F)cc2)c1N 467495958 XGMXTLGBVCPOHZ-UHFFFAOYSA-N 408.397 0.943 30 20 HCED CN1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCC1=O 471040046 IBNJONLPBIMOFB-INIZCTEOSA-N 411.462 0.945 30 20 HCED CCN(CCC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 478048734 WPSDWKJRSBMBRR-UHFFFAOYSA-N 410.496 0.890 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1cccnc1 480788261 QWDABXBHACCFOW-CYBMUJFWSA-N 401.448 0.166 30 20 HCED CCOC(=O)c1c(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c(C#N)cn1CCOC 481406594 ZKHSSTUNGJGKCV-ZDUSSCGKSA-N 419.438 0.840 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCN(C)C1CCN(C)CC1 482160826 CICJPQGMGWSMHV-INIZCTEOSA-N 421.567 0.709 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](N2CCCC2=O)C1 484394002 ZJTAQIQNJGWLTE-OAHLLOKOSA-N 400.435 0.745 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@H](C)O[C@]2(CCOC2)C1 485096924 XOTBNFPTRAAWRR-VBKZILBWSA-N 403.435 0.928 30 20 HCED C=CCNC(=O)[C@H](C)S(=O)(=O)c1nnc(N2CCOCC2)n1Cc1ccccc1 506925403 IGSRGKJKAXMLRK-HNNXBMFYSA-N 419.507 0.627 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N=c2cc(C)o[nH]2)CC1 509011633 NIQODGSMGKNFKD-HNNXBMFYSA-N 401.471 0.447 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)c1 509390073 UNYYCQWZMYYTDP-GDBMZVCRSA-N 424.475 0.718 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 509998056 ZJHBIVOMIHQZCU-NSHDSACASA-N 401.470 0.893 30 20 HCED N#Cc1ccc(NC(=O)CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1Cl 511867715 GSMNDLZABZFTAG-UHFFFAOYSA-N 417.853 0.443 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)n1 513274611 VRLFXPVFHBXJLU-LLVKDONJSA-N 405.411 0.515 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(c3cnccn3)CC2)n1 514087001 FHZOLMOMCUTTQY-UHFFFAOYSA-N 420.408 0.960 30 20 HCED CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 515091543 KAICASRHKCLEAR-PVLCWKDFSA-N 408.528 0.451 30 20 HCED N#C[C@H]1CN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CCO1 519281761 JWMSBRRVKNVVKI-QMMMGPOBSA-N 402.226 0.693 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 538576953 GZJVFSLYQBAXQB-OAHLLOKOSA-N 423.491 0.546 30 20 HCED C=CCNC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 540798562 UZLFHPGSQDZDCR-GFCCVEGCSA-N 413.452 0.028 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn(C)c1=O 541946350 ACOUYQNRTJQCNV-QGZVFWFLSA-N 407.430 0.816 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1C 542005243 WATQYYAKPUIISO-UHFFFAOYSA-N 422.488 0.462 30 20 HCED C=CCn1c(Cc2noc(-c3cnc4c(c3)NC(=O)CO4)n2)nnc1N1CCOCC1 546348532 BHYMDFYZPQPJNM-UHFFFAOYSA-N 424.421 0.667 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 547455107 IACNPPDAHPMOII-FQEVSTJZSA-N 405.458 0.659 30 20 HCED C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1 554991330 KBECQZHTBOOUJU-CQSZACIVSA-N 400.460 0.658 30 20 HCED CC(C)COCCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555778397 XZYHPHWKLPICBE-GOSISDBHSA-N 400.479 0.954 30 20 HCED C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)CN1CCOCC1 560884867 QIFCCEBOUAPSFR-QUCCMNQESA-N 413.522 0.307 30 20 HCED Cc1c([C@H]2[C@@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cnn1C 561432380 KPLHBEBWAIJXHH-OXJNMPFZSA-N 407.478 0.863 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)C1=O 571546348 UOUSRVQYVUBHNX-MRXNPFEDSA-N 407.492 0.093 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(C#N)cn3)CC2)cs1 573868068 ZRPZLUZNAOZTDF-UHFFFAOYSA-N 420.476 0.190 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CO)C3CCOCC3)n2)c(Cl)c1 582143450 SQTBZRDCOWNRSX-HNNXBMFYSA-N 417.853 1.240 30 20 HCED CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 589297248 FMUKCNUMTXMGFB-AWEZNQCLSA-N 413.525 0.718 30 20 HCED CN(C)c1noc([C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 589518084 VHHGYIGUQJCDHK-CQSZACIVSA-N 418.479 0.692 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 610804958 FQTIZFKGVFHNFI-SFHVURJKSA-N 413.526 0.598 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCc2c1cnn2CCO 610859082 DMLNIPFJVVBEAS-DYVFJYSZSA-N 417.491 0.608 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccnn1-c1ccncc1 611545857 CTROMEQLPPMOEJ-AWEZNQCLSA-N 417.433 0.605 30 20 HCED N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 615632844 OEWGIKWLTAOPEQ-FQEVSTJZSA-N 417.441 0.151 30 20 HCED C=CCc1ccccc1OC[C@@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 652505131 DTIWGVDEDFHFIU-FQEVSTJZSA-N 403.523 0.631 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 685057371 SFPKKKOFQVGMJQ-WMZOPIPTSA-N 421.519 0.940 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2sc(C)nc2C)c1=O 736588436 VAZGBYYYGQYTGU-UHFFFAOYSA-N 418.544 0.825 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 737252604 XGININVCSPZTHQ-UHFFFAOYSA-N 414.462 0.802 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2nnnn2C2CC2)C1=O 742214415 YIECWKKUDLKOHQ-LBPRGKRZSA-N 416.467 0.679 30 20 HCED COc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1-n1cnnn1 743897218 UNLYVIQJPLVSMD-UHFFFAOYSA-N 407.394 0.104 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 756909016 JQWKTVSOCDTIHM-RDTXWAMCSA-N 401.492 0.996 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)cn1C 760404667 RATFWABZPQXNJD-UHFFFAOYSA-N 417.491 0.707 30 20 HCED Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 766281372 AWDXWCCQRGIAOX-LLVKDONJSA-N 407.408 0.882 30 20 HCED N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc(S(N)(=O)=O)ccc3O)C2=O)cc1 769783873 GYJBQYBQDKWVBO-MRXNPFEDSA-N 401.400 0.874 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C)c2cn(CC(=O)OC)nn2)cc1 770699007 IHFHHTMTBAZIKG-GFCCVEGCSA-N 408.436 0.833 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777946047 WFKLALFLODXIND-UHFFFAOYSA-N 414.418 0.620 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 780063469 NQTMWXMFKSTQAQ-RDJZCZTQSA-N 413.478 0.681 30 20 HCED C[C@@H](O)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789783007 STZAJZROOSIJSM-IQQDNESTSA-N 410.496 0.715 30 20 HCED C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CC1)C2=O 793200596 CTYKFZJBUSJARX-KZULUSFZSA-N 410.496 0.873 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)C1=O 807481404 KSBYLDQHVRXOPT-CABCVRRESA-N 408.499 0.651 30 20 HCED CCOCc1nc([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 812315229 RLMPTBUXCFJDSM-NSHDSACASA-N 407.452 0.912 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccccc1 814249774 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CCS(=O)(=O)N[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)CC#N)CC2)CC1 1836843710 RFHDPMGQKKKSGC-CQSZACIVSA-N 414.528 0.226 30 20 HCED CCS(=O)(=O)CC(=O)N1CCC(OC2CCN(C(=O)[C@@H](C)S)CC2)CC1 1836848440 JUFNBZRRPGNIOW-CYBMUJFWSA-N 406.570 0.738 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(CN(C(=O)CC[S@](=O)CC)CCO2)C1 1837234616 JBGRNAPKUSNVKN-DNOBIOAJSA-N 418.581 0.521 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCNC(C)=O)C2)C1 1837311183 AXYKVTKUUKXCEB-NQIIRXRSSA-N 407.511 0.737 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)c4ccc(F)nc4)CCO3)C2)CCC1 1837850989 CGXYEAZEUVGRMF-HXUWFJFHSA-N 402.426 0.985 30 20 HCED CN(C)c1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)cn1 1838193153 QWIRTKKXUHQYHW-FQEVSTJZSA-N 401.467 0.521 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3nc(C)c(C)s3)CCO2)C1 1838404015 BUFMOTLTNBUGMV-MGPUTAFESA-N 421.519 0.868 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1)C1(O)CCC1 1838732947 FRXRWWHNNUNYRD-QRWLVFNGSA-N 416.478 0.507 30 20 HCED C[C@@H](C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1)n1cccn1 1838774233 SHJGJMLSJHALDA-HNNXBMFYSA-N 402.451 0.531 30 20 HCED Cn1cnc(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc(CC#N)cc4)CCO3)C2)c1 1839362197 CWQDMUCJTWVDTC-QFIPXVFZSA-N 423.473 0.870 30 20 HCED CN(C)CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CC#N)cc1)CCO2 1839362478 VXAMUZUSYNPEAY-JOCHJYFZSA-N 414.506 0.774 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[nH]n4)C3)C2)c1 1839419867 YXOJWXBDINCSHN-FQEVSTJZSA-N 413.409 0.804 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C)COC4)C3)C2)c1 1839450726 FKBUMQVBPHPUCH-QFIPXVFZSA-N 413.474 0.973 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C(C)=O)[nH]n3)C2)C1 1839840132 XWWMQZBUUNKDMF-JLTOFOAXSA-N 404.467 0.895 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCc1cnc3[nH]ccc3c1)CCO2 1840080328 CEOSXORNPGAHLA-NRFANRHFSA-N 411.462 0.866 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840161639 WMDIWQJOEFFLKV-SJCJKPOMSA-N 410.521 0.784 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840167482 SENZTVCHQUIKAQ-NRFANRHFSA-N 401.463 0.108 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cc(C)cnc34)C2)C1 1840842556 OKJOVMWBRWSUDV-OAQYLSRUSA-N 411.462 0.521 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840877308 PGBLJDYDNSUSEB-LAUBAEHRSA-N 424.494 0.379 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCN(CC)CC3)CCO2)C1 1840927016 DZJWKCPKPLRXME-AVRDEDQJSA-N 423.554 0.766 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)C1 1841432128 FNOCSVUFYVJNQN-CHWSQXEVSA-N 401.529 0.784 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CCNC(=O)c1ccc[nH]1)C2 1844235447 CTPAORIRMKOPGJ-MRXNPFEDSA-N 402.495 0.911 30 20 HCED COc1ccc(CC(=O)N2CCCC23CN(C(=O)[C@H]2CCNC(=O)C2)C3)c(C#N)c1 1845139802 HGQNIFJLYPFXGA-INIZCTEOSA-N 410.474 0.839 30 20 HCED CCn1cc(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1=O 10853943 ACVIFNRTPMNGCV-UHFFFAOYSA-N 416.459 0.497 30 20 HCED Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)CN3CCOCC3)CC2)c(C#N)c1C 28177037 GALZYGVDQFSWIY-OAHLLOKOSA-N 403.483 0.572 30 20 HCED Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)NCCNS(C)(=O)=O 41404535 UOYWQCZRFUMYBK-UHFFFAOYSA-N 417.447 0.658 30 20 HCED N#CCn1cc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 139821484 XAVAVXXAVWACQQ-UHFFFAOYSA-N 405.436 0.875 30 20 HCED C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 146637461 GNJYEHQEEIWPLP-NVXWUHKLSA-N 407.492 0.975 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCC)NC(=O)Cc2ccccc2)CC1 303579454 MJJHMZBQRFECPX-HXUWFJFHSA-N 412.534 0.798 30 20 HCED N#C[C@H]1CN(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CCO1 409542285 GGLRZEUNPBWVSC-ROUUACIJSA-N 404.492 0.505 30 20 HCED COc1cccc(C(=O)N2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)c1OC 409583651 GHZVPTSVOJPXFU-CQSZACIVSA-N 410.496 0.798 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)C1=O 410120233 PNTUSNXYJHUZTO-KRWDZBQOSA-N 407.492 0.803 30 20 HCED CCOc1cc(NC2CCN(C(=O)C(=O)Nc3ccn(CCC#N)n3)CC2)ncn1 442582597 MXKYBITUCSDVCQ-UHFFFAOYSA-N 412.454 1.027 30 20 HCED COc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccn(CCC#N)n3)C2=O)cc1 444586811 RKSLEPNHQUORMA-MRXNPFEDSA-N 410.434 0.661 30 20 HCED C[C@@H](NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ncn(C)n1 444743753 MOBSVPAKNYQUGK-CYBMUJFWSA-N 410.438 0.934 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)cc1 445189797 HITWNGQBPKJDGV-CABCVRRESA-N 404.423 0.458 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1cccc2c1OCCC2=O 446531826 PXYSMNDSQVJSRU-UHFFFAOYSA-N 400.435 0.665 30 20 HCED CC(C)S(=O)(=O)N1CCC(NC(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 447418577 OSGNDOTYLJSRSD-UHFFFAOYSA-N 404.492 0.766 30 20 HCED CN(C(=O)CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1CCCCC1 465336622 PGDANXSAGOZZNQ-UHFFFAOYSA-N 423.477 1.044 30 20 HCED COc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N[C@@H]1CCOC1 466352460 LDJFKGNJSLKVFD-WCQYABFASA-N 420.451 0.425 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 467141395 XIQZPWXFGYNMAC-IMJJTQAJSA-N 408.418 0.878 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCCn1c(=O)ccn(C)c1=O 468185604 GTFCVLGKTVGGMT-UHFFFAOYSA-N 409.450 0.217 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 470765165 KDRMXECFBBHVIJ-UGSOOPFHSA-N 406.464 0.259 30 20 HCED COc1ccnc(N2CCC(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2)n1 471706571 RAAWLOZHIDMFRY-UHFFFAOYSA-N 424.509 0.964 30 20 HCED CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 473571822 SGJUKNRRBUODNF-IRXDYDNUSA-N 405.886 0.819 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1 476284467 PUOREGAYXOTCFC-RCCFBDPRSA-N 418.519 0.883 30 20 HCED COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 476410704 WKQOAEMRRVDLQB-LZWOXQAQSA-N 407.496 0.920 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C#N)c1ccccc1F 476751081 WCHJDUOGROBGCI-BZNIZROVSA-N 404.423 0.972 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)cc1 483602319 QOTWKJLLYQTARH-AWEZNQCLSA-N 419.507 0.800 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(CCC(N)=O)CC3)n2)cc1 504798068 VCURGNOZZUCVFP-UHFFFAOYSA-N 409.450 0.641 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C 509316982 NGKZMAHNJILJAG-RDJZCZTQSA-N 416.523 0.371 30 20 HCED N#CCNC(=O)CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 511895565 IYNOGZPJBGILRC-OAHLLOKOSA-N 405.480 0.193 30 20 HCED C=CCSCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 514142998 ZDOTZEMNGQNTHI-UHFFFAOYSA-N 413.569 0.752 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 515160309 SOEQZVWABYEQNP-MOPGFXCFSA-N 420.535 0.721 30 20 HCED C[C@@H]1Oc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2NC1=O 517116875 FCSQXFFBZLWDOK-ZDUSSCGKSA-N 420.429 0.960 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCNS(=O)(=O)c2ccccc2)cc1 520022416 HPMBEPUVHCCNRE-UHFFFAOYSA-N 421.500 0.568 30 20 HCED Cc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1S(=O)(=O)NCC#N 521295123 VMKIEUPJTXHRRM-UHFFFAOYSA-N 401.448 0.352 30 20 HCED CN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 522780836 PMYHHPGAGKHDEE-UHFFFAOYSA-N 422.507 0.530 30 20 HCED COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)cc2OC)C1 527357482 QBGUKKOBQWJQHD-ZFWWWQNUSA-N 402.451 0.895 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c(F)c1 532869733 RMBRMQONKXWQCT-INIZCTEOSA-N 418.450 0.579 30 20 HCED C=C[C@H](CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 535406450 RIWGYUDEYQVHAL-MJGOQNOKSA-N 419.547 0.794 30 20 HCED C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 539213802 XLSYFUNRVQBPNE-MCIONIFRSA-N 408.480 0.699 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H](O)C3CCOCC3)n2)c(F)c1 541145898 CYRBTACSJDXIKR-INIZCTEOSA-N 401.398 0.725 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2n[nH]cc2Br)cn1 545185665 GXCPBFWBGPJCAB-UHFFFAOYSA-N 415.211 0.879 30 20 HCED C=CCOC[C@@H]1NC(=O)N(C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1=O 552728485 XBWGOGKWBARUBN-WMZOPIPTSA-N 419.453 0.966 30 20 HCED CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)c2cccc(Br)c2C#N)C1 553532981 GQWCNSUWIMTICY-SNVBAGLBSA-N 422.326 0.881 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)C1=O 553740975 OKLFMJYYEGWTNM-NXEZZACHSA-N 422.467 0.157 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(C(N)=O)nc3)C2)c(F)c1 554156108 WWVUYWZAMFECET-HNNXBMFYSA-N 424.436 0.593 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1 554296423 KCAZPXLQMYCDIY-UHFFFAOYSA-N 411.422 0.939 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(S(C)(=O)=O)CCCC1 557677446 TXVHHRPVFWZRJI-CYBMUJFWSA-N 413.521 0.699 30 20 HCED Cn1ccc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)c1=O 557695122 SEESRTHTNCLGRD-AWEZNQCLSA-N 411.462 0.917 30 20 HCED CN(CCc1ccncc1)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 576068090 VSQBGRYOSKGFFA-IBGZPJMESA-N 405.458 0.871 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CCN4CCC[C@@H]4C3)C2=O)cc1 585725556 VCCUKFYIKQDLJD-UHOSZYNNSA-N 409.490 0.913 30 20 HCED COc1ccc(C)cc1CNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 585728058 LYHFQHFWJINXDW-UHFFFAOYSA-N 410.478 0.882 30 20 HCED C[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc(C#N)c1 587689899 MFAYTZGQRXIOKG-VDMKFOLZSA-N 406.442 0.659 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cccc(F)c2)c1=O 603793492 QPIYMOUMUUVKEC-UHFFFAOYSA-N 401.463 0.891 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1 606003268 FQUROEVDORBUCB-UHFFFAOYSA-N 403.439 0.298 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)cn2)c1 610610780 VEKXSNNEVSJKFC-OAHLLOKOSA-N 406.402 0.920 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 615255574 QDQGPKMRAVVNRJ-UHFFFAOYSA-N 412.443 0.693 30 20 HCED C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NS(C)(=O)=O)CC1 669805782 IYSQHUBLUXLCHW-UHFFFAOYSA-N 424.552 0.974 30 20 HCED C=CCCCCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 681172333 ZIDJVEXCMXVACG-UHFFFAOYSA-N 409.512 0.574 30 20 HCED C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 683879531 RTAYOYXCXTUZRU-MRXNPFEDSA-N 421.523 0.669 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CCN(CC(F)(F)F)C1=O 735705619 QCODJKSCQKJUDJ-NSHDSACASA-N 419.381 0.822 30 20 HCED Cc1noc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 737255513 ZAPPRFGPNCUHAF-HYARGMPZSA-N 420.451 0.446 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 743894397 MWQYCFVWZYXPKN-UHFFFAOYSA-N 415.425 0.677 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 745353527 NCWDQWNUQBMBLP-ZFWWWQNUSA-N 412.512 0.836 30 20 HCED CCN(CCS(C)(=O)=O)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753735506 WHBDBMVWUGQHGT-GFCCVEGCSA-N 401.510 0.397 30 20 HCED COCCN(C(=O)CON=C1CCN(C(=O)C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 756860106 UDUYMNZFODPBIR-MRXNPFEDSA-N 417.528 0.300 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 761036797 JSFWXIYOMJOFRQ-UHFFFAOYSA-N 400.545 0.719 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)cc1 764073620 HXOLGKKXNSKYQX-YLJYHZDGSA-N 418.563 0.696 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 766262062 SJYWDXREJYNSTN-INIZCTEOSA-N 420.491 0.063 30 20 HCED C#CCCOC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 766287373 OJMHPPSQHNSJBG-UHFFFAOYSA-N 408.476 0.875 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)c1C 766320063 HMNCWECZCCLUJG-UHFFFAOYSA-N 416.463 0.337 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCOc1ccccc1C(N)=O 766366001 PNAJECTZLNUNPH-ZDUSSCGKSA-N 417.443 0.946 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNC(=O)CSCC#N)cc1)S(C)(=O)=O 773649861 AQJQNFCPSBVQQO-UHFFFAOYSA-N 421.522 0.164 30 20 HCED C=CCOCC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 773653422 ZLXBJVYVSVDJAV-UHFFFAOYSA-N 406.482 0.110 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@@H]1CCCO1 773793796 LDEYVBUFLYOSQA-ZBFHGGJFSA-N 404.854 0.512 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cn3cc(Br)ncc3n2)C1=O 779537000 QHOMTIKFSSWWAH-UHFFFAOYSA-N 407.184 0.407 30 20 HCED C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)S(N)(=O)=O 779597258 BQZBHKBFLAITDQ-PFMFLNCGSA-N 417.513 0.298 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)OCC)CC1 781477356 YIMOSOHIQUGROM-UHFFFAOYSA-N 403.410 0.929 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1 783462629 SGUFLBFMEIACLJ-UHFFFAOYSA-N 413.455 0.906 30 20 HCED C=CCS(=O)(=O)CCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 783618325 OZQDWNOBMZSWGX-HJWRWDBZSA-N 421.519 0.617 30 20 HCED CN(C(=O)C(=O)NCCNc1ncccc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O 787776322 DYWYUDRJCRNFEI-GFCCVEGCSA-N 412.372 0.103 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(-n2cccn2)cc1C)[C@@H]1CCS(=O)(=O)C1 789590164 RPLKVVXHFGOZKM-MRXNPFEDSA-N 400.460 0.768 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2c(C)cnn2C)c1=O 795198026 RYAWLICKGYFXFA-RHSMWYFYSA-N 423.542 0.783 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2c(C)cnn2C)c1=O 795198671 ZSRPWCPCCDKPTM-UHFFFAOYSA-N 404.455 0.122 30 20 HCED CCOC(=O)C1=C(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)NC(=O)N[C@@H]1C 796493892 ZDMSHHDNCQIEBC-OLZOCXBDSA-N 407.471 0.950 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](CO)[C@@H]2CCOC2)cc1C#N 797392082 LWBKQOVJRHEQIS-TZMCWYRMSA-N 404.423 0.826 30 20 HCED CCCCn1c(=O)nc(O)c2c1nc(COC(=O)[C@H](C)n1cnc(C#N)n1)n2C 798742089 HBEFZPFDWZHNNW-JTQLQIEISA-N 400.399 0.403 30 20 HCED C#CCC[C@@H](O)CNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 799287478 PWONECNGYYHRTB-LJQANCHMSA-N 412.490 0.803 30 20 HCED CC(C)N(CCCNC(=O)CN1CCN(c2ccc(C#N)nc2)CC1)S(C)(=O)=O 801552280 GLVSRRSMLISJRP-UHFFFAOYSA-N 422.555 0.252 30 20 HCED Cc1nn[nH]c1C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 805548085 OKNUWNLPWYOUFQ-UHFFFAOYSA-N 411.378 0.738 30 20 HCED COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)C1 809501350 FNQSVUSOAAPIIX-NVXWUHKLSA-N 405.451 0.055 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)CCNC(=O)N2CCc3ccccc3C2)c1 813981844 ZFOMWCQPPHVBKU-UHFFFAOYSA-N 413.459 0.916 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)[C@@H](C#N)C1 815754850 ALCIOJZHDXYNES-SOUVJXGZSA-N 402.451 0.909 30 20 HCED COc1cc(N2C[C@H](C(=O)N[C@@H]3CCCN(O)C3=O)CC2=O)cc(OC)c1OC 816759503 NYHQGPAEGAKYMC-DGCLKSJQSA-N 407.423 0.562 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2ccc(O)nc2=O)cc1 918610621 OHPWPIYZRLJESF-XSFVSMFZSA-N 405.436 0.400 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cc(C(N)=O)cn1C 998829661 LZYNSTWAYRUOEC-IMPIEMTGSA-N 400.479 0.967 30 20 HCED Cc1nsc(N2CCN(C(=O)NCCN3CCC4(C3)OCCO4)CC2)c1C#N 1313329755 UHZQRGRQZWLUAF-UHFFFAOYSA-N 406.512 0.604 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)CC1 1321298379 GDUAIZHBSCLMOI-MRXNPFEDSA-N 420.535 0.968 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1338445928 JJAYGTCAIKNUAJ-MJGOQNOKSA-N 411.506 0.970 30 20 HCED COc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 1342603659 AFHFPQGQBPMAKY-CYBMUJFWSA-N 407.386 0.602 30 20 HCED CCN(CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1515719529 SDPFABRNTAZVJM-UONOGXRCSA-N 411.532 0.639 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1546588913 WUQHZVNKELROCK-INIZCTEOSA-N 411.466 0.532 30 20 HCED CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1626724910 XRGFQJJRMKQIGV-UHFFFAOYSA-N 403.262 0.329 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 1627618334 QZRFNFVSFSDIER-MAZHCROVSA-N 411.505 0.403 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(C#N)CCOCC2)c1 1640487032 JNCJCCHZJBXBRY-UHFFFAOYSA-N 408.480 0.103 30 20 HCED COC[C@@]1(CO)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1653629093 STXPHQROMUNKKO-CTNGQTDRSA-N 404.486 0.865 30 20 HCED COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1682227526 URTDFRVPLADGCX-BRWVUGGUSA-N 400.435 0.225 30 20 HCED CC1(C)COCCN1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1724032954 VQGBUHDFVHZENN-INIZCTEOSA-N 417.514 0.240 30 20 HCED CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1741009647 IXFVQIVJVJWBQT-UHFFFAOYSA-N 420.481 0.836 30 20 HCED CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C[C@@H]1C 1746446340 OWGWPDLQKCZCJA-HNNXBMFYSA-N 417.539 0.896 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CCO1 1767713352 RQDCPVZBTNQJMR-INIZCTEOSA-N 411.466 0.246 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)C(C)(C)NCCC#N)CCO2)C1 1778969478 NDXJGDHPHLOINL-IIBYNOLFSA-N 406.527 0.671 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)Cn1cccn1)CCO2 1779104281 HWXFTPKDNZMLLI-FLLPAOQRSA-N 405.455 0.242 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccn3nccc3c2)C1 1779167339 WPHXDFZQZZYJNP-DYESRHJHSA-N 410.430 0.550 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2ccccc2C(=O)OCCO)C1 1780082512 DMDCSXUZGLDXFX-XMSQKQJNSA-N 414.458 0.596 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1 1780697936 BVOKXWRJXRHVSP-NHCUHLMSSA-N 415.446 0.618 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(O)ccc3F)C2)C1 1781601062 HSXDHRPXIBQMLU-QEVIJRNUSA-N 417.437 0.833 30 20 HCED C[C@H](CC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(C#N)ccc3F)C2)C1 1781961226 ICFNFALQDMIHDH-ZUOKHONESA-N 402.426 0.652 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccnc1Cl)C2 1782011279 SXCPQKBSAAUWEL-FOIQADDNSA-N 419.865 0.879 30 20 HCED NC(=O)c1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)cc1 1782017927 SWVDILUWQCWJKL-IIBYNOLFSA-N 413.430 0.001 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@H](C)OC(=O)OCC)C2)C1 1782700787 UETXGKUSLBSVGP-ZEGWDFLXSA-N 423.466 0.236 30 20 HCED C=CCC(F)(F)C(=O)N1CC[C@]2(CN(C(=O)CCNC(=S)NC)CCO2)C1 1783197437 KBNJFIOYMXDVNZ-INIZCTEOSA-N 404.483 0.512 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3[nH]ccc3C)C[C@@H]21 1783529246 IYTNYSQXOYPVFS-YPHDOGSUSA-N 400.479 0.775 30 20 HCED CN(C)C(=O)NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]21 1783674957 RSZHOERAJYFRHD-BZSNNMDCSA-N 413.478 0.423 30 20 HCED O=C(CCn1ccnn1)N1CC[C@@]2(C1)CN(C(=O)C/N=C/c1ccco1)CCO2 1784534892 VFMMNYYFANYLCI-FUNKKEAFSA-N 400.439 0.210 30 20 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C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)C1 571008623 BQZUOKPDSSXITM-NVXWUHKLSA-N 405.524 0.954 30 20 HCED COCC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 573955992 ASAVVZIOAAXPAF-GOSISDBHSA-N 411.480 0.765 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 582879905 BHLDARYGXLERSN-UHFFFAOYSA-N 407.456 1.091 30 20 HCED C[C@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@H](C)N1CCOCC1 587658603 CARFFMWGSDLVSY-HOTGVXAUSA-N 414.510 0.264 30 20 HCED CCOc1cccc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(CC(N)=O)c2=O)c1 589158947 QXPBKGHYEGZFAY-CYBMUJFWSA-N 413.499 0.912 30 20 HCED N#CC(C(=O)c1ccccc1F)=c1sc(=Cc2ccsc2)c(=O)n1CC(N)=O 589159038 GDPGHDFYWVIAPQ-UHFFFAOYSA-N 413.455 0.982 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 589773783 YPSBCHIDRSFPQC-UHFFFAOYSA-N 400.395 0.381 30 20 HCED CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 604174592 KVEGHBKYJZHQJZ-QAPCUYQASA-N 407.492 0.723 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 608050125 IDSCXDAPYXEEMW-GUYCJALGSA-N 417.491 0.808 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 609038786 YSNNYYBSYBZHIH-UHFFFAOYSA-N 417.494 0.724 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccccc2[C@@H]1C(N)=O 610805898 OIKDLPKLDZPRCL-SCLBCKFNSA-N 412.471 0.836 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN([C@@H]4CCC[C@H]4O)CC3)C2=O)cc1 617055607 JEVNKCFQOQCTPR-XUVXKRRUSA-N 411.506 0.900 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1=O 726042193 FPXBCDMLFVOUEO-UHFFFAOYSA-N 404.335 0.362 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 729763996 WNOJUMQJBQHDQK-UHFFFAOYSA-N 400.428 0.404 30 20 HCED N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)c(Cl)c2)c(=O)n1CC(N)=O 731494776 HSJOEVGFYGNZGO-UHFFFAOYSA-N 410.789 0.677 30 20 HCED C[C@H](OC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)C(=O)NC1(C#N)CCCCC1 745443749 GJXDRPYFNZRIMY-DERJNBNXSA-N 417.462 0.812 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(CC(=O)NCC=C)CC1 749666901 NBKWODSRJLIDRX-UHFFFAOYSA-N 402.426 0.223 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 753301555 PKUWJLVYQLXZAQ-INIZCTEOSA-N 405.520 0.477 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](C)S(C)(=O)=O 754234822 DKLLPHLFWRBBDZ-OCCSQVGLSA-N 415.537 0.689 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc(C(N)=O)c(F)c2)C1 755538229 PGKLSLAIPKDHNN-IINYFYTJSA-N 419.413 0.738 30 20 HCED COC(=O)C1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758643500 VSZPJBMBXYSBJU-KBPBESRZSA-N 416.500 0.465 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc4nccnc4c3)CC2)o1 759810471 GJPJQPXGADOARM-UHFFFAOYSA-N 407.390 0.699 30 20 HCED NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C#Cc1ccc2c(c1)OCO2 769283945 VYSBZMQJAFNROG-KRWDZBQOSA-N 407.426 0.486 30 20 HCED O=C(COC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(F)(F)F 769666663 CAKGGSZDGPBQAP-UHFFFAOYSA-N 407.370 0.727 30 20 HCED CCCOc1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC 771898767 RFTDUULKLICKMU-UHFFFAOYSA-N 410.452 0.194 30 20 HCED C[C@H]1C(=O)N(C)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 779275575 DDYRWOPJXQFEOH-AWEZNQCLSA-N 406.508 0.975 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3cnccc3c2)c(=O)n1CCOC 782601824 WFFNNEYHRQJEGE-UHFFFAOYSA-N 420.494 0.910 30 20 HCED C#CCN(CC#C)C(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 784870798 ANPTXVFJZMMFNH-ZDUSSCGKSA-N 401.394 0.541 30 20 HCED COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)OCC(=O)NCC#N)c2)cc1 785404874 KRCSAEYYHLENQE-UHFFFAOYSA-N 419.415 0.998 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 785587775 NFPXATKHZFFDFU-HIFRSBDPSA-N 405.407 0.568 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 786362985 MMHCJQHGNYLQLM-OHDICMOHSA-N 411.414 0.270 30 20 HCED CS(=O)(=O)c1ccc(CNC(=O)C(=O)NCCNc2ncccc2C#N)s1 787775398 PHYJFWFCEBLNJI-UHFFFAOYSA-N 407.477 0.263 30 20 HCED C#CCC[C@H](O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 799205112 NNIMOUSEAVDYDX-AWEZNQCLSA-N 411.480 0.612 30 20 HCED C=CC[C@H](NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccncc1 805808091 QECPCRFUHDWZBP-NNPSNHGLSA-N 408.458 0.738 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)[C@H]1CCCO1 806985669 CWEYWPGOYGDAOC-GDBMZVCRSA-N 424.475 0.351 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 807375850 IHACLHFORPFLKP-KBPBESRZSA-N 408.480 0.846 30 20 HCED COc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCCOC2(C#N)CCOCC2)cc1 809083138 BXWWRQUEHKPXAF-CQSZACIVSA-N 412.464 0.995 30 20 HCED Cc1nsc(N2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)c1C#N 810088356 YXFXSBBYYNLYEB-UHFFFAOYSA-N 413.525 0.529 30 20 HCED Cn1c(S)nnc1[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 810355238 WGYBKGLGVPXMDX-ZDUSSCGKSA-N 420.520 0.660 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 811678248 BNDKNPAPZQKHQW-QWHCGFSZSA-N 411.480 0.289 30 20 HCED C[C@H](CC(=O)N1CCC(F)(F)[C@@H](CO)C1)/N=C1/NS(=O)(=O)c2ccccc21 812646389 LEKVPZSMYBXZNV-VXGBXAGGSA-N 401.435 0.980 30 20 HCED CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 813565048 QRZXUWSKINXVPJ-GXFFZTMASA-N 405.480 0.825 30 20 HCED CN(C)c1cc(C#N)cc(C(=O)NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 816029175 XHZJZTXXMVGFQN-UHFFFAOYSA-N 413.459 0.933 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCCC2)cc1 816746220 NQHQDXJUGJWZQY-UHFFFAOYSA-N 420.535 0.320 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2csc(C)n2)c1=O 838222975 PBLBFNUYOHZPPO-UHFFFAOYSA-N 404.517 0.447 30 20 HCED COc1cc(N2C[C@H](C(=O)OCC(=O)NCCC#N)CC2=O)cc(OC)c1OC 913363659 RJDFEFCMWSFJDD-GFCCVEGCSA-N 405.407 0.638 30 20 HCED N#Cc1ccc(NCCNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)nc1 919725068 NDFGDWMJJBATBL-UHFFFAOYSA-N 404.404 0.813 30 20 HCED COC(=O)[C@@]1(F)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1116223772 DLLXYLLPORXRKO-IFXJQAMLSA-N 402.382 0.877 30 20 HCED 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CC[S@](=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1552428726 KBVLUGRXSSJUPS-ZIBDJOFNSA-N 403.505 0.391 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCn2c(nnc2C(F)F)C1 1556430092 OIDIGQBSUKQXAW-SNVBAGLBSA-N 410.406 0.797 30 20 HCED CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1696839455 YCGSIRCMKCLDTB-MRXNPFEDSA-N 405.480 0.713 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1698483971 MGNWVQOWJKDADQ-IAOVAPTHSA-N 413.475 0.511 30 20 HCED CS(=O)(=O)CC1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1731001667 WQCSZLXXQKAJJE-MRXNPFEDSA-N 416.507 0.817 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(F)c1 1751235686 OQPAUOXYNBLKHK-WFASDCNBSA-N 408.459 0.804 30 20 HCED CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1763109396 GTFVORXOFPVGMS-HZPDHXFCSA-N 407.544 0.441 30 20 HCED N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCOCC2)c1 1770736023 SJRFBKIGFGQKPN-GOSISDBHSA-N 421.461 0.794 30 20 HCED 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CC(C)=NO[C@H](C)C(=O)N1CCCC12CN(C(=O)[C@H](C)[C@@H]1SC(=N)NC1=O)C2 1845253030 KCFNQEZZUIJKAP-UPJWGTAASA-N 409.512 0.793 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]2C[C@]21C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846196982 IENYDWFHJVZQNC-LHSJRXKWSA-N 417.462 0.677 30 20 HCED CC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847014702 PNPKWKOWNLYKJY-KRWDZBQOSA-N 415.421 0.164 30 20 HCED C=CCNC(=O)COC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O 9082849 XATHTDGKYWFUJU-SCLBCKFNSA-N 406.460 0.713 30 20 HCED CC(C)C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCCC#N 10847790 OUUHODNORUSCBK-AWEZNQCLSA-N 406.464 0.713 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1 24732473 PAQSHTKYACPVNR-UHFFFAOYSA-N 423.458 0.681 30 20 HCED CN(CC(=O)N1CCN(Cc2cccnc2)CC1)S(=O)(=O)c1ccc(C#N)cc1 43689832 ZKBIQLUARJRVNI-UHFFFAOYSA-N 413.503 0.918 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2cc(C#N)ccn2)CC1)[C@H]1CCS(=O)(=O)C1 47857468 KCLHFZXOIRKRKO-WBVHZDCISA-N 405.524 0.499 30 20 HCED COC(=O)c1ccccc1NC(=O)CO/N=C(/N)C1=C(N)C2(CCCC2)N(C)C1=O 63456374 IBSZFAAJAAIDKB-UHFFFAOYSA-N 415.450 0.698 30 20 HCED CCCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 65581217 MOBGMYDRDKMMBI-INIZCTEOSA-N 407.496 0.618 30 20 HCED CC(C)(C)Cc1cc(=NC(=O)C(=O)N=c2ncn(Cc3ccc(C#N)cc3)[nH]2)[nH][nH]1 426594409 FGMCUGPYSXJRBS-UHFFFAOYSA-N 406.450 0.931 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CCN1c1nccn2cnnc12 433876148 YILVRTCGIDOVFZ-GFCCVEGCSA-N 408.397 0.811 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(C(=O)c3ccccc3O)CC2)C1=O 436947588 RGILFLRFZDIPEY-UHFFFAOYSA-N 414.418 0.090 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)C1=O 440250994 AJTHUGHYRMJZNH-MRXNPFEDSA-N 402.451 0.385 30 20 HCED COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 443287007 QMTWCFDPTBOPMQ-UHFFFAOYSA-N 415.324 0.922 30 20 HCED CCOC(=O)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 443318914 KLZDEZBOZNFZQS-OAHLLOKOSA-N 403.313 0.826 30 20 HCED CCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 446854279 WJXZOSMFVDLIPD-UHFFFAOYSA-N 408.480 0.631 30 20 HCED C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 448512602 MIHJOCQXNWMJRT-UHFFFAOYSA-N 422.489 1.240 30 20 HCED Cc1nsc(N2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)c1C#N 461196537 LWLLDHGARICDJZ-UHFFFAOYSA-N 420.520 0.735 30 20 HCED Cc1ccc(S(=O)(=O)NC2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)cc1 461271483 UMFIEAKKQNMNCD-UHFFFAOYSA-N 412.471 0.786 30 20 HCED N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1 470993526 CRLTZMJZYBAHEC-CZUORRHYSA-N 409.402 0.833 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cnn(CC(F)(F)F)c3)CC2)nc1 475160114 AGXACFFQEUHZJN-UHFFFAOYSA-N 407.356 0.999 30 20 HCED Cc1nc(C#N)c(N2CCC(C(=O)N(CCN(C)C)[C@@H]3CCS(=O)(=O)C3)CC2)o1 476231589 VNEXBIKHRYBBMG-MRXNPFEDSA-N 423.539 0.648 30 20 HCED COC(=O)CCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1=O 480967807 SFSHXUOKJWYHDO-DOMZBBRYSA-N 422.463 0.658 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)cc1 498687737 VLTSFOAKAPPUIH-JKSUJKDBSA-N 422.507 0.463 30 20 HCED C[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H](C)CO1 501784778 MPTVHOJJHZPFGO-CVEARBPZSA-N 406.508 0.500 30 20 HCED COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 502374283 AEAQKIOWYNHIRE-ROUUACIJSA-N 407.492 0.899 30 20 HCED CNC(=O)Cn1nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1C 503898797 VHUYWOMBGUQKQH-LBPRGKRZSA-N 404.452 0.115 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 504968744 IEOBRILWGHHTFN-XJKSGUPXSA-N 418.479 0.173 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)n1 510289913 KNJPYPDSGSHMIJ-KGLIPLIRSA-N 400.505 0.763 30 20 HCED COC(=O)c1cn([C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)nn1 516517468 QIWMOIWVZRSVCS-CYBMUJFWSA-N 400.370 0.878 30 20 HCED CN(CC(=O)N[C@H]1CCc2nc(N)sc2C1)S(=O)(=O)c1ccc(C#N)cc1 516961921 VUABKSOWYOHJLO-LBPRGKRZSA-N 405.505 0.891 30 20 HCED C=C1CCN(C(=O)CCC(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)CC1 519461190 UJDAWGNVXQQRGU-UHFFFAOYSA-N 421.498 0.879 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CCCSC 527030536 HQXOMGVAZJXNJL-UHFFFAOYSA-N 405.549 0.689 30 20 HCED N#Cc1cc(F)ccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 531437784 VIRCBOKVTVPXRM-UHFFFAOYSA-N 421.410 0.928 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C(=O)NC)nnc12 535236185 DVUZSSPRANPNIV-NSHDSACASA-N 400.464 0.573 30 20 HCED CC(C)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 539789047 NYHSETXEIZBTEQ-UHFFFAOYSA-N 400.526 0.697 30 20 HCED CCOC(=O)c1cnn(CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1C#N 544748561 CEXSJRXIRLGBML-UHFFFAOYSA-N 405.436 0.820 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1CN1CCCC1 550173603 XOGFAZRIKQSHQA-UHFFFAOYSA-N 423.521 1.167 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)CC1 551193754 QPWNWPRIFBJULP-UHFFFAOYSA-N 403.406 0.216 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3Cn3ccnc3)C2=O)cc1 561707757 SMDYLYLSFSRKFI-RBUKOAKNSA-N 420.473 0.663 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCCN3C3CC3)CC2)c1C#N 578559555 MBJLBTCHAZNLGS-KRWDZBQOSA-N 413.526 0.382 30 20 HCED Cc1nsc(N2CCN(C(=O)N=c3nc(CS(C)(=O)=O)[nH]o3)CC2)c1C#N 589333479 BUHUISZSMNDMQT-UHFFFAOYSA-N 411.469 0.027 30 20 HCED CC(C)[C@H](C#N)N1CCN([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 609486901 UCGHKZJWPGQJBF-APWZRJJASA-N 421.567 0.547 30 20 HCED CC(C)[C@@H]1C(=O)NCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 611409195 DGYHUNIAPGKQDS-AZUAARDMSA-N 401.486 0.991 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1=O 670325628 ZHFLWEIVUTUCMY-AWEZNQCLSA-N 402.426 0.902 30 20 HCED CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CNC(=O)c2ccc(C#N)cc2)C(C)C)CC1 727010048 KJGQPBYJUQLEPB-IBGZPJMESA-N 414.462 0.547 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 729762549 DALORXMTHLAKGK-UHFFFAOYSA-N 416.883 0.919 30 20 HCED COC(=O)COc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731851451 WZJWYTGPQJGDFM-WUKNDPDISA-N 409.420 0.043 30 20 HCED C#CCN1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)CC1 748651580 OUBTYVRUGOTERL-FQEVSTJZSA-N 420.416 0.832 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cc2ccc(S(N)(=O)=O)s2)C1 756894661 ODBBWSMDEXXSJK-JQWIXIFHSA-N 414.509 0.813 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 758079481 LDYDCUINUFDBIP-UHFFFAOYSA-N 423.494 0.756 30 20 HCED O=c1c(C=NNc2ccc(-n3ccnc3)nn2)c(N2CCOCC2)nc2ccccn12 761861014 SCVBEJLGIPRADO-UHFFFAOYSA-N 417.433 0.953 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCc2ccnn2C)C1=O 762416999 DVGYCGDZFGAPLO-OAHLLOKOSA-N 414.491 0.829 30 20 HCED C#CC[C@]1(C(=O)N(C)C[C@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 764613563 QCPRGILWXMBREL-LAUBAEHRSA-N 409.527 0.931 30 20 HCED CCn1c(S)nnc1CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765470706 WVKBLHAJTLYDPQ-NSHDSACASA-N 408.509 0.484 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)c1 766598033 YLHHOADTEUODRF-SRMPHAGFSA-N 422.507 0.811 30 20 HCED C[C@H](C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 767354192 SDEVIDXQBMQHFN-VJORHOHGSA-N 423.425 0.758 30 20 HCED C=CCNc1ncc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)s1 770106774 CFVKVINZTOBGCH-UHFFFAOYSA-N 423.539 0.957 30 20 HCED CC(C)(C)NC(=O)CNC(=O)CON=C(N)c1ccc(CN2CCOCC2)cc1 772885527 RTVSAUUDDAERNN-UHFFFAOYSA-N 405.499 0.187 30 20 HCED N#CCCCS(=O)(=O)NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 776123087 WXDINNZDIPHGRW-ZDUSSCGKSA-N 405.432 0.825 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 778792698 MYJUPWUDHVOVNC-OAHLLOKOSA-N 410.386 0.574 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCC3CN(S(C)(=O)=O)C3)ccc2c1=O 779330815 DKNCLQSJFUOYFB-UHFFFAOYSA-N 408.505 0.492 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 785165357 QJVNZSKXOLZDNG-GOSISDBHSA-N 400.479 0.557 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)c2cnc(Br)c(OC)c2)CC1 788504102 NOQGJRJJYCUBIN-UHFFFAOYSA-N 409.284 0.750 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)nc1 789705714 MYYYNRSNZWLJBF-UHFFFAOYSA-N 416.551 0.959 30 20 HCED CCOC(=O)CON=C(C(=O)NC[C@](C)(O)c1ccc(F)cc1F)c1cc[nH]n1 789987859 YAXSTZHTHIPARY-SFHVURJKSA-N 410.377 0.996 30 20 HCED C=CCOC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OC 797761666 IBJJUYACJOESDC-GFCCVEGCSA-N 421.269 0.571 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 809307567 FTACTTZSGOJKPL-IRXDYDNUSA-N 403.866 0.921 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)[C@@H]1CCCO1 809310798 URBTUBFWWCQICD-IRXDYDNUSA-N 403.866 0.808 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 810786389 HHTPNUDGTHRUIN-AWEZNQCLSA-N 411.505 0.753 30 20 HCED CS(=O)(=O)c1nc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c2ccccn12 813980914 KUPDIIBPILYIIA-UHFFFAOYSA-N 405.417 0.123 30 20 HCED Cn1c(S)nc2cc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)ccc2c1=O 813982227 VFOYGSPZJVQQBQ-UHFFFAOYSA-N 401.429 0.608 30 20 HCED C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NS(=O)(=O)c1cncc(C#N)c1)C2=O 813982904 YSESLNMIZRFNJR-KSPBDQMDSA-N 419.463 0.505 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 815861116 RCWHLBIBIWATAO-UHFFFAOYSA-N 420.535 0.871 30 20 HCED O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCN(O)C1=O 820477423 YNTODEMEKOPSFX-LLVKDONJSA-N 411.358 0.360 30 20 HCED COCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccccc2C)c1=O 916199090 AKPUTDRYSYUXJB-UHFFFAOYSA-N 413.499 0.227 30 20 HCED COCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 917688978 YFHXLROMFVLEEH-NNLSSIJJSA-N 422.507 0.933 30 20 HCED C[C@H](OC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)C(=O)NC1(C#N)CCCCC1 920605649 LCALLRKLYWJZRX-LBPRGKRZSA-N 415.450 0.464 30 20 HCED CS(=O)(=O)c1c(F)cccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1129641925 QJYGPHZVIOFOGW-UHFFFAOYSA-N 411.436 0.906 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1 1203939929 VZHFQKCNVKBUSL-CYBMUJFWSA-N 402.436 0.942 30 20 HCED CCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1313888336 NOVSROYKANTGQI-HRCADAONSA-N 408.528 0.251 30 20 HCED CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1446136990 JLIGMKWTUSLSBU-CVEARBPZSA-N 400.483 0.660 30 20 HCED C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1509954409 PGJXSDZREJRDLZ-ZIAGYGMSSA-N 406.516 0.698 30 20 HCED CCN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1515719527 SDPFABRNTAZVJM-KGLIPLIRSA-N 411.532 0.639 30 20 HCED CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1541013549 JOTMYJNIXHPCBV-IRXDYDNUSA-N 409.450 0.965 30 20 HCED CN(C)S(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1552891561 OWARSRXSRKBMKF-GOSISDBHSA-N 423.543 0.422 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)NCC(=O)N2CCOCC2)cc1Br 1621973153 RGVOVNPHILTNKJ-UHFFFAOYSA-N 406.233 0.597 30 20 HCED COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1698077117 WTAKFHPYJIDQHU-KUHUBIRLSA-N 416.461 0.615 30 20 HCED 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C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)CCNC(C)C)CCO2 1835880440 UGRPJBPKGFKEEC-OAQYLSRUSA-N 411.543 0.814 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1837395372 YNXIOANYCWOMIC-JXFKEZNVSA-N 404.467 0.120 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCC=CO1)CCO2 1837413292 UGZJMKVFSYZAOU-WDFHVHJUSA-N 420.510 0.607 30 20 HCED O=C(/C=N/N1CCCCC1)N1CCO[C@]2(COCCN(C(=O)c3cncnc3)C2)C1 1837441132 TYJDKYFKVIVKPX-NVAXRVGSSA-N 416.482 0.018 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(OC)nn3)CCO2)C1 1838352826 SXWYPUZMKZILHZ-YWZLYKJASA-N 404.467 0.767 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(F)ccc1F)CCO2 1838860557 MGAVGPMTHUZORI-LJQANCHMSA-N 408.357 0.123 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(F)c(F)c1)CCO2 1839011275 QEHDNBDATIHMNS-LJQANCHMSA-N 408.357 0.123 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccn(C)c3)C2)C1 1839174339 UTKFFXNWJYNMFX-OAQYLSRUSA-N 419.478 0.605 30 20 HCED 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C#CCNC(=O)[C@H](C)Sc1nnc([C@@H](CC)N(C)C)n1CCN1CCOCC1 29483775 QJBATOVUFGMURO-JKSUJKDBSA-N 408.572 0.853 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 109383314 NFOPGDWVIHPMPR-UHFFFAOYSA-N 407.473 0.639 30 20 HCED C=CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)c1 143498783 QEEPFIJNBBHZNR-UHFFFAOYSA-N 414.462 0.483 30 20 HCED C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2)C[C@@H](C)O1 409562975 UIEQSXVQRPUPFC-RKVPGOIHSA-N 422.507 0.495 30 20 HCED CN(CCCOc1cccc(S(C)(=O)=O)c1)S(=O)(=O)N1CCO[C@H](C#N)C1 409585672 QENIDDTUPBOKHL-OAHLLOKOSA-N 417.509 0.260 30 20 HCED CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 409597565 NMCVRVTUVQWJSJ-MRXNPFEDSA-N 401.577 0.883 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 409598206 UKIWWULLGNDBOY-OAHLLOKOSA-N 421.589 0.450 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1 410135034 LDQGBJRPLUCFQK-HNNXBMFYSA-N 402.542 0.932 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O 410145185 KIOSZWSWRVPABX-DGCLKSJQSA-N 414.509 0.956 30 20 HCED CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)C1=O 410390318 YJSCOILIAQAOSK-RBSFLKMASA-N 416.544 0.879 30 20 HCED CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)n1 410392577 YPTQQLBKJAUVMM-UHFFFAOYSA-N 414.488 0.268 30 20 HCED C=CCNc1ncc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)s1 432927462 HKNXYARKWONHTK-UHFFFAOYSA-N 409.493 1.018 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C 435306393 LNNRVZMLHLDMKD-NWDGAFQWSA-N 405.455 0.626 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 437525389 IFDWSZIRIVESKQ-QAPCUYQASA-N 409.508 0.764 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cn1 440093451 ADFFTYFAOJOASP-OLZOCXBDSA-N 408.340 0.992 30 20 HCED N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)n2)c1 440401721 XANGNPGXWOXYGL-CYBMUJFWSA-N 419.488 0.900 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)Nc1ccc(F)cc1C#N 442324372 NPRBQTOEWFXYTL-TUVASFSCSA-N 403.366 0.587 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCS(=O)(=O)NCC1CCC1 443070691 MEIVODCARITGKW-UHFFFAOYSA-N 402.454 0.464 30 20 HCED CC(C)(C)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 460608391 KUDFGTUSECQZEG-UHFFFAOYSA-N 409.450 0.794 30 20 HCED Cc1ccn(C[C@@](C)(O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)c(=O)c1 461188624 FQRSGSRMZGFKLA-LJQANCHMSA-N 401.492 0.893 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(Cc2nccn2C)CC1 462015016 KHKAIGLJTKUAJI-UHFFFAOYSA-N 405.466 1.531 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 465472003 KTRMVISDVVNGJT-LBPRGKRZSA-N 414.447 0.693 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)CC1 467228594 IXHAQZIZZGGJRY-UHFFFAOYSA-N 424.505 0.874 30 20 HCED C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 469592956 MYLSWMIUFZZRKG-OAHLLOKOSA-N 418.519 0.799 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 470994830 RZGSHFSBTFVNAQ-IAGOWNOFSA-N 414.462 0.588 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)ccc1C 472883854 TXRJZHBMPPRKLX-UHFFFAOYSA-N 424.461 0.983 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 475454184 QAHXXTDUFZSWKX-CQSZACIVSA-N 402.498 0.388 30 20 HCED COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cc1 478851739 HUXALODEIAVNJI-HNNXBMFYSA-N 412.467 0.732 30 20 HCED COC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 478951881 DFNNXPPGVBRHCR-CQSZACIVSA-N 422.445 0.740 30 20 HCED C[C@H]1CN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)O1 480454186 OETUGBLKWRENRL-XHSDSOJGSA-N 408.524 0.841 30 20 HCED CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481892482 LCOPIRNTSBUWIF-OLZOCXBDSA-N 401.510 0.507 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C)C2=O)cc1 484055014 HGTJSRMITCLXMQ-OAHLLOKOSA-N 408.480 0.169 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)CC1 488553510 CINGOTAMKQACQZ-KRWDZBQOSA-N 424.505 0.496 30 20 HCED CC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)N1CCOCC1 504442202 LBVJXSMLDFXVKA-MSOLQXFVSA-N 413.478 0.990 30 20 HCED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 505411949 TUKURNVGCHAULL-IBGZPJMESA-N 408.458 0.778 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cn1 507529377 LFMVRZXERIZUOE-UHFFFAOYSA-N 400.869 0.863 30 20 HCED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1OC 509415832 NAMIQCAUBSYZEM-AWEZNQCLSA-N 410.496 0.940 30 20 HCED CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 509838591 WGBCFLOWJDMEOU-HUUCEWRRSA-N 421.523 0.877 30 20 HCED CS(=O)(=O)N1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 511437033 MGGZQLCVHANFOB-NSHDSACASA-N 402.454 0.559 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 511742091 KHJATCBKRZFTPH-JTQLQIEISA-N 418.397 0.913 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(CC(=O)N3CCCCCC3)CC2)nc1 520881270 IHNKTZORBXTISA-UHFFFAOYSA-N 419.551 0.747 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)NC(C)(C)C 531941718 XBXRSJAYBKFVTP-LBPRGKRZSA-N 416.525 0.059 30 20 HCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccnn3CC)c2=O)cc1 533120213 WRCYKFMGPQNVRZ-UHFFFAOYSA-N 423.498 0.763 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccon1 534402315 SLIDRUFQOYDIMK-UHFFFAOYSA-N 402.382 0.473 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 535333185 PSNOOCVPXQEVRG-INIZCTEOSA-N 410.499 0.656 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 541365539 WKALJCGOJAYPEM-INIZCTEOSA-N 424.461 0.772 30 20 HCED COC(=O)C1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCOCC1 542908209 LXZXREWQPVCADG-ZDUSSCGKSA-N 409.464 0.311 30 20 HCED C[C@H](Nc1cnn(CC(=O)NCCO)c1)C(=O)Nc1sc2c(c1C#N)CCC2 545122947 NJRMODIKCRAYMC-NSHDSACASA-N 402.480 0.853 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)c2cc[nH]n2)CC1 554939964 XVEIVAXCNHSGIR-QGZVFWFLSA-N 406.508 0.884 30 20 HCED CC1CCN(CCNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 556071922 XTVRRYCOJBFEHW-IBGZPJMESA-N 411.506 0.623 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCCN(c3nc(CC)ns3)CC2)CC1 557731973 ZZVDQHBNJSCVMY-UHFFFAOYSA-N 406.556 0.906 30 20 HCED N#Cc1ccc(C(=O)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 560751877 AAGWNVQMPBHASS-UHFFFAOYSA-N 402.432 0.520 30 20 HCED Cc1c([C@@H]2[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cnn1C 561432386 KPLHBEBWAIJXHH-UZLBHIALSA-N 407.478 0.863 30 20 HCED CCN(C(=O)[C@@H](C)N1CCN(c2cnccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 562361492 ANZPBPMBWBYRNH-WBVHZDCISA-N 405.524 0.499 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@H](c3ccccc3)N(C)C)CC2)c1C#N 563730481 HYFFOQCSTGEEDZ-LJQANCHMSA-N 423.521 0.668 30 20 HCED C=CCC[C@@H](NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 574546938 IGSZEJLFHNFMIU-QGZVFWFLSA-N 411.466 0.168 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1 575209712 GEINWZCTPBMOQC-IBGZPJMESA-N 420.473 0.893 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1 582136965 OPAHLMNKNYKMNH-UHFFFAOYSA-N 417.451 0.984 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1cccc(CN2CCCC2)c1 584364981 BJDQXCJKJADQJI-UHFFFAOYSA-N 423.521 1.167 30 20 HCED Cc1ccnc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 589372708 YFELRLVGFLNLPC-UHFFFAOYSA-N 401.448 0.637 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NC(=O)Nc3ccn(CCC#N)n3)cn2)CC1 615834600 ZBOMCWPEEGXHKV-UHFFFAOYSA-N 418.483 0.917 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(C)c2)c1=O 725763763 TVXIMEVDIYQZHY-UHFFFAOYSA-N 415.519 0.242 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC(=O)Nc2cccc(C)c2C)C1=O 726043954 WQXVNNJELFYGCS-UHFFFAOYSA-N 416.390 0.472 30 20 HCED Cn1nc(C(=O)N2CCN(CCOC(=O)Cc3ccc(C#N)cc3)CC2)ccc1=O 727772270 XSEJVNCOSOLUMD-UHFFFAOYSA-N 409.446 0.196 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)CC1 729257877 VRGOHFCBLSSPDJ-OAHLLOKOSA-N 421.523 0.327 30 20 HCED C#CCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 741448694 DBIHFKQXOYPLIL-MRXNPFEDSA-N 415.519 0.808 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1CC(=O)N(C)C 743726320 MSJLVEQHTNRLAC-GFCCVEGCSA-N 412.471 0.581 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1 748061923 ZMJIORSQYHDIQS-UHFFFAOYSA-N 412.899 0.354 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 748814095 ZFNBDRBMRMCLLS-UHFFFAOYSA-N 403.571 0.076 30 20 HCED Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N 750407249 ICEFAJGTLFAQJD-CYBMUJFWSA-N 419.463 0.757 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)C1=O 751070775 LOUKYLNLEOBCGD-ZDUSSCGKSA-N 414.418 0.511 30 20 HCED CNC(=O)Cn1nc(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 757821420 AGVMICOTRVROFS-OLZOCXBDSA-N 405.459 0.818 30 20 HCED CNC(=O)CNC(=S)NN=Cc1ccc(OCCN2CCOCC2)c(Cl)c1 759196124 UDXXCRBYEZUMDO-UHFFFAOYSA-N 413.931 0.595 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)CC1 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420.425 0.588 30 20 HCED N#Cc1c[nH]c(C(=O)NC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2c2cccnc2)c1 1811539765 WLWSTEHNNWTQKI-FRQCXROJSA-N 406.446 0.880 30 20 HCED O=C(O)C#CC(=O)NC[C@H]1CCN(C(=O)c2cc3cn[nH]c3cn2)[C@@H]1c1cccnc1 1812879744 CYLGCLMFVOZDSY-JLTOFOAXSA-N 418.413 0.761 30 20 HCED C#CCCCC(=O)NC[C@H]1CCN(C(=O)CNCP(=O)(O)O)[C@H]1c1cccnc1 1813044743 CHZQTQAOPPNNQD-APWZRJJASA-N 422.422 0.616 30 20 HCED COCCn1ccc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C#CC(=O)O)[nH]n2)n1 1818261687 DBCHEOIJZVVOBF-OAHLLOKOSA-N 414.422 0.647 30 20 HCED C#CC(=O)Nc1nc2c(s1)C[C@H](NC(=O)[C@@H]1CCc3nc(O)nc(O)c3C1)CC2 1825014307 HKNITRQABXLZRL-NXEZZACHSA-N 413.459 0.695 30 20 HCED NC(=O)CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)/C=N/N1CCCCC1)CC2 1825181570 OTTAFQQJSZPAOL-ZICWZVMQSA-N 406.512 0.792 30 20 HCED COc1ccc(C(=O)N[C@@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)cn1 1825661028 FSQNYPHMKCMWJS-LLVKDONJSA-N 400.416 0.861 30 20 HCED C=CCC(CC=C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)N(C)C)C2)C1 1830635065 RZFIDLLMXIFXEM-OAQYLSRUSA-N 422.526 0.482 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C)n(C)n3)C2)C1 1831421205 GPEZWQXULNRRIH-UZLBHIALSA-N 406.483 0.390 30 20 HCED COc1nccnc1C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](S)C(C)C)CCO2 1831484952 JUNKWZOTQRCKAQ-DNVCBOLYSA-N 424.523 0.510 30 20 HCED C[C@@H](Nc1cnccn1)C(=O)N1CCC([C@H]2CCCCN2C(=O)C#CC(=O)O)CC1 1831670943 HBTBRILLFRTWSN-NVXWUHKLSA-N 413.478 0.985 30 20 HCED Cc1cc(CC(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)on1 1832575670 ZIXLLPRUOGDRHM-HXUWFJFHSA-N 402.451 0.676 30 20 HCED C=CC[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CCO2)C1 1832800041 FRNRMOSTIVQJQR-HNAYVOBHSA-N 421.454 0.460 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)CC1 1833522037 GMQLEEMZOAPLLO-CVEARBPZSA-N 423.558 0.870 30 20 HCED CN(C)CC(=O)NC1CCN(C2CCN(C(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1834465020 FMLDBEXFGIZXGH-FNNTWHHHSA-N 423.558 0.649 30 20 HCED N#CCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)C1 1834753303 DYFGEYNPKLEIDN-IBGZPJMESA-N 402.407 0.507 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1 1835187450 AMKHYQHSBNUGAC-NRFANRHFSA-N 422.526 0.151 30 20 HCED C[C@H]1CCc2c(C(=O)N3CCOC[C@]4(CN(C(=O)CCC#N)CCO4)C3)n[nH]c21 1835356890 ATLUPYGIFFEOCQ-XOBRGWDASA-N 401.467 0.833 30 20 HCED CC(C)Oc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)CN)CCO3)C2)cc1C#N 1835556057 SCPVSOXQDJBNLX-OAQYLSRUSA-N 416.478 0.374 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCC(OC2CCN(C(=O)Cc3noc(C)n3)CC2)CC1 1836858734 ZWNOTRWXOCZZED-HNNXBMFYSA-N 418.494 0.957 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@@H](CC)NC(N)=O)CC2)CC1 1836859594 QJKDBKXGRWKJJZ-CRAIPNDOSA-N 422.526 0.470 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)[C@H](O)C=C)CCO2 1837393652 YCRHHXKENOETQB-UZLBHIALSA-N 412.552 0.935 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C3CCOCC3)C2)C1 1837396639 HTSCDFVWWVNVQY-UWJYYQICSA-N 410.511 0.443 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCOC3)C2)C1 1837567544 QQHRYPCMMLLWLH-RXAHGGBOSA-N 405.451 0.191 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CNC(=O)O3)C2)C1 1837661716 PGCRMIVAQZEBLJ-YWZLYKJASA-N 409.483 0.544 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)c1ccnnc1O)CCO2 1838369748 USIWZISVLYFDMQ-QFIPXVFZSA-N 422.441 0.304 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4=CCCS4)C3)C2)c1 1838732797 ARBKZBNDXYRRSU-LJQANCHMSA-N 402.476 0.977 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(O)no4)C3)C2)c1 1838907434 SGQBOQFDFJMMMK-HXUWFJFHSA-N 412.402 0.636 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnccn3)C2)C1 1839224820 ZFDIAKCQQDXLAX-DNVCBOLYSA-N 405.455 0.348 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cc[nH]n3)C2)C1)C(F)(F)F 1839894557 FCBNKEIVFSWERJ-INIZCTEOSA-N 402.373 0.527 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840230750 UDCDWADVTNAXTR-VGSWGCGISA-N 421.538 0.961 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(=O)c1cccn1C)CCO2 1840484865 ODXRWBFHQFNBGN-NRFANRHFSA-N 401.463 0.468 30 20 HCED C[C@H](NC(=O)c1ccccc1)C(=O)N1CCO[C@]2(COCCN(C(=O)CC#N)C2)C1 1840900854 STVAOBHUCQLRGS-KKSFZXQISA-N 414.462 0.175 30 20 HCED O=C(c1cnc(O)nc1O)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844282592 HVASRNCOLNSVKU-UHFFFAOYSA-N 400.435 0.403 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2 1844286366 KGTWCCHJUOYNLR-LASGFXPTSA-N 422.482 0.156 30 20 HCED CCc1nn(C)c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)c1Br 1846195326 BYPUXPOWXITJOB-UHFFFAOYSA-N 423.267 0.650 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)C2(C#N)CCC2)C1 1846973359 SLWJURDFDUJRAK-CQSZACIVSA-N 406.483 0.769 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)[C@@H]1CNC(=O)C1)C2 1847068688 GEUQLAWRQJQKBH-LSDHHAIUSA-N 418.494 0.243 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CC2)cc1 26017076 HXKUVSMKOWNVEP-OAHLLOKOSA-N 402.476 0.402 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1 26017083 HXKUVSMKOWNVEP-HNNXBMFYSA-N 402.476 0.402 30 20 HCED COCCN(CCC#N)S(=O)(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 409551923 JOIKNMOHEDLNEQ-ZDUSSCGKSA-N 404.514 0.434 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 429843134 FGZXEALAHIRZAU-CYBMUJFWSA-N 409.464 0.558 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 443135843 WCPWZFJNRSSGBA-UHFFFAOYSA-N 401.511 0.683 30 20 HCED C[C@](O)(CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)CN1CCOCC1 443248727 LQVJHEBTYMHPOO-HNNXBMFYSA-N 407.414 0.939 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1cccc2c1OCO2 460617800 HBJWIGPIBUIOKU-UHFFFAOYSA-N 404.386 1.431 30 20 HCED COC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465417551 OQGLHULGBUFVEX-AWEZNQCLSA-N 422.445 0.740 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 465417648 PHSJVOCXAFTJFO-NSHDSACASA-N 414.495 0.595 30 20 HCED CC[C@@H](CC#N)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 475015162 QPFKMPZYAXQTTK-JSGCOSHPSA-N 414.509 0.966 30 20 HCED C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN([C@@H](C(=O)O)C(C)C)C3=O)cc2C1=O 478963345 PODUKLXHYOUIHT-JKSUJKDBSA-N 413.430 0.909 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cc1 479470770 MOTQEENYAJKAFC-UHFFFAOYSA-N 418.475 0.454 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccon3)c2=O)nc1 480932515 HSSPCKUSWGXANR-UHFFFAOYSA-N 409.471 0.677 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCC(=O)NCc1cccnc1 481498156 YDBLJIIEDMCVGN-CQSZACIVSA-N 415.475 0.443 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 483935287 SJNNKXHSIDKXCK-GOSISDBHSA-N 420.535 0.530 30 20 HCED CN1CCN(C(=O)[C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 498502550 HSIULNDJQIZQPP-SFHVURJKSA-N 418.519 0.238 30 20 HCED C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1CO 498989393 FRGORIYUQOJDBD-SJLPKXTDSA-N 420.535 0.484 30 20 HCED N#Cc1ccc(CN2CCCN(S(=O)(=O)N3CCS(=O)(=O)CC3)CC2)cc1 500318221 TYPWGQRULWNEPQ-UHFFFAOYSA-N 412.537 0.041 30 20 HCED COCCOc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C)c2=O)cc1 501197079 RLPGMPIHMRQSEK-UHFFFAOYSA-N 413.499 0.597 30 20 HCED CS(=O)(=O)N1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 503225898 NBRDICADRNMNOQ-RDJZCZTQSA-N 419.507 0.777 30 20 HCED C=CCOc1ccc(C(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1OC 508387753 JNRMKSJBWJXECX-JKSUJKDBSA-N 410.492 0.176 30 20 HCED C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 508809015 JQQNEPASBDWAIG-UHFFFAOYSA-N 415.479 0.862 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCc3nnnn3-c3ccccc3)CC2)c1C#N 512608752 YEPRSHZCJVWORO-UHFFFAOYSA-N 420.481 0.650 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCCc1nn(C)c2ccccc12 517201010 NGNNGCYDNWWMSW-UHFFFAOYSA-N 408.466 0.500 30 20 HCED CCN(CCCNC(=O)N1CCN(c2snc(C)c2C#N)CC1)S(C)(=O)=O 519042792 WGWTTWOBADRSGU-UHFFFAOYSA-N 414.557 0.826 30 20 HCED Cc1ccc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1S(=O)(=O)NCC#N 524230468 WIBPSRDERACMHT-KRWDZBQOSA-N 408.524 0.884 30 20 HCED CN(C)CCN(CCN(C)C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 525882408 HFAPERDBNZVPDO-UHFFFAOYSA-N 412.498 0.088 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1C#N 525892598 FEFQTCVIBKIKQI-HUUCEWRRSA-N 400.483 0.813 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c1C#N 536300389 IAAYFRSEVYKJLB-LLVKDONJSA-N 422.515 0.089 30 20 HCED Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 539015763 ZCDAUURKWWVYAF-UHFFFAOYSA-N 404.408 0.347 30 20 HCED COc1ccc(CCNS(=O)(=O)Cc2cccc(C#N)c2)cc1S(N)(=O)=O 539857832 ABORKWJTGDRYGL-UHFFFAOYSA-N 409.489 0.876 30 20 HCED CS(=O)(=O)N1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 550436177 YNJMLTXSGXQCTA-UHFFFAOYSA-N 422.326 0.977 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)nc3)CC2)nc1 555985756 RCYASLIVKRWPAV-UHFFFAOYSA-N 419.489 0.913 30 20 HCED N#Cc1cccc(C2(NC(=O)C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)c1 556568347 HPLBJNTUJWDGAS-UHFFFAOYSA-N 422.445 0.358 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC1CCN(C(=O)COC)CC1 556596484 URKUTEDLNPHPDE-UHFFFAOYSA-N 403.479 0.963 30 20 HCED N#Cc1ncn(CCNC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n1 557939853 OWRWDGKSYNMKMS-UHFFFAOYSA-N 402.890 0.925 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 559781266 YCRMVOVIMTYLAX-MRXNPFEDSA-N 400.479 0.765 30 20 HCED CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cn1C 560052471 HQAWXHAISBJLJS-UHFFFAOYSA-N 410.434 0.756 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)CC1 561450492 MRKBBSKBADSXLQ-HXUWFJFHSA-N 405.587 0.772 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 561952873 VEWHAPUJKPCSOT-STEAMIEHSA-N 423.469 0.791 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3C[C@H](OC(C)C)C3(C)C)CC2)c1C#N 572406025 YIFHDRVPANWNDN-IRXDYDNUSA-N 416.526 0.957 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1 573599729 PSTDDVQQWMABAT-CQSZACIVSA-N 411.459 0.413 30 20 HCED C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 576889836 OIGDBLRYZUFMEO-QGZVFWFLSA-N 410.478 0.718 30 20 HCED CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 576989025 CGCZQTSNFLUPPC-CXAGYDPISA-N 409.450 0.887 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C#N)c2)C1 578913967 COKKEVBHUHVVOP-QGZVFWFLSA-N 422.507 0.073 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)c1C 581027083 HXVZKOVYVCPJHP-INIZCTEOSA-N 415.475 0.993 30 20 HCED C=CCCC[C@H](C)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 582076810 HQDSXFVECOLDAT-HNNXBMFYSA-N 400.479 0.736 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cc1 589490149 RAFHMCWCDWCRMI-SFHVURJKSA-N 416.434 0.675 30 20 HCED C=CCN(C/C=C\CN(CC=C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 595578065 GXXSYMCACYQCFQ-OSFIAYCASA-N 402.582 0.893 30 20 HCED Cc1nc(S(=O)(=O)NCC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cn1C 608852647 VGFVKIJEWBDCAW-QGZVFWFLSA-N 416.507 0.416 30 20 HCED CS(=O)(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 611564696 AQMUZLIPWAQGCV-NVXWUHKLSA-N 419.507 0.777 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)cc1Cl 619838429 XKAQHGQDPFBGOX-UHFFFAOYSA-N 416.869 0.995 30 20 HCED CC(=O)NCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726398339 BPPPQOHDTAOZAQ-OAHLLOKOSA-N 417.491 0.522 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 726709444 VOACOCMZWWERQG-UHFFFAOYSA-N 423.481 0.193 30 20 HCED C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(C(C)=O)cc2OC)CC1 728573484 XRTBMNAJZCSJLX-GOSISDBHSA-N 403.479 0.005 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1OC 729435774 ZHZHXTOCJVWTNO-NVXWUHKLSA-N 416.478 0.565 30 20 HCED C#CCNC(=O)C1CCN(C(=O)COc2cc([N+](=O)[O-])c(C=O)cc2OC)CC1 731621922 LOPNWBNTZFUHRY-UHFFFAOYSA-N 403.391 0.783 30 20 HCED N#C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CCN1Cc1ccccc1 733946031 CXKYXTGNSFZBDC-KRWDZBQOSA-N 411.487 0.721 30 20 HCED C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)cc2C)CC1 734074358 RKYIPRQAMJUJAW-UHFFFAOYSA-N 405.476 0.325 30 20 HCED Cc1cc(C(=O)OCC(=O)NCc2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 738859602 GMBCYQIRIINRAC-UHFFFAOYSA-N 421.413 0.286 30 20 HCED C[C@H](OC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCC#N 745498706 ZWBKRVBCKZIVPF-OLZOCXBDSA-N 406.464 0.807 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)COc2ccc(S(N)(=O)=O)cc2)cc1 750172206 ZDXRSMGRNDKWIT-UHFFFAOYSA-N 403.416 0.961 30 20 HCED CC(C)OCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 755476854 ZWMKJWBWHGCPKS-PGMHBOJBSA-N 410.496 0.979 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 756930461 QJTVYARNTJYHQQ-UHFFFAOYSA-N 406.527 0.965 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O 761369971 BPQWUSDADGLAQI-STQMWFEESA-N 424.454 0.104 30 20 HCED C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 765781832 XMMSHNUSZDEELL-UHFFFAOYSA-N 402.476 0.887 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767629595 WGSYPTSWHJQYFN-NEPJUHHUSA-N 408.436 0.169 30 20 HCED C#CCN1CCN(C(=O)CN(C)[C@H](C(N)=O)c2cccc(Br)c2)CC1 772397725 DZZUWZRKLQMWER-KRWDZBQOSA-N 407.312 0.685 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1)[C@H]1CCCO1 773798656 QOZRBGBELVZQDP-RTBURBONSA-N 412.490 0.239 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)CC1 780478970 ACRPQXJWBSURMB-KRWDZBQOSA-N 414.481 0.771 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 782999338 JPFCWTSTFTZDSS-UHFFFAOYSA-N 408.524 0.990 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)c1 785072765 FNKUMOCDKSFQNN-UHFFFAOYSA-N 413.455 0.804 30 20 HCED C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789119506 RDRURHOBZJHRKH-AUUYWEPGSA-N 409.483 0.958 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2c(C)cnn2C)c1=O 795186724 AIDDTXKZSBGBLN-UHFFFAOYSA-N 424.486 0.135 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)C1=O 799267701 UBEGUUBMUBDDEV-ADKRDUOOSA-N 421.519 0.766 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2N)cc1 800234312 MLSVKTFJYQMWJW-UHFFFAOYSA-N 402.432 0.795 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 800659364 UGDXNKFMHMYDHC-JSGCOSHPSA-N 411.455 0.610 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)C1=O 801335338 FOKAZRFARJGSID-CQSZACIVSA-N 412.402 0.208 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nnc(S(C)(=O)=O)s2)cc1 803270159 NELXOWGUOMYMTD-UHFFFAOYSA-N 415.474 0.210 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)CC1 806785981 DZZNYSZVGWSRMA-KRWDZBQOSA-N 400.376 0.436 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1=O 807481407 KSBYLDQHVRXOPT-GJZGRUSLSA-N 408.499 0.651 30 20 HCED C#CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 810214285 UQEJMMJOJVUUBX-UHFFFAOYSA-N 400.298 0.505 30 20 HCED C#CCCS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 810786315 CLTPOUGSOSSIKJ-LBPRGKRZSA-N 410.448 0.535 30 20 HCED N#CCCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 818192928 OGNUTKRKQIQFAW-UHFFFAOYSA-N 414.871 0.709 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CCCOCC 837368478 JBVMVADYINPHTA-UHFFFAOYSA-N 403.508 0.099 30 20 HCED COc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3cnn(C)c3)c2=O)c1 839303972 VNUNHHUNQSFMDQ-UHFFFAOYSA-N 421.482 0.423 30 20 HCED CCN1CCN(C(=O)[C@H](C)OC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 916605000 VCDFGRGWPJVIHL-AWEZNQCLSA-N 422.507 0.211 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 916870954 PBNHVQZYESWLRW-YWZLYKJASA-N 416.434 0.324 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(=O)NC)c2)cc1 918353226 CSTWCEBOJKLJIL-UHFFFAOYSA-N 415.471 0.653 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1nc(OC)cc(OC)n1 1003857908 IMGFQODWVQIVTM-ZSAUSMIDSA-N 402.451 0.947 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1141968885 QEQXXZGWHKEQMS-SJORKVTESA-N 417.491 0.565 30 20 HCED CCN(CCC#N)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCO1 1201021492 BCRVOGWAIBASFE-SGTQZHETSA-N 404.511 0.379 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)CC2=O)cc1 1251519377 NFOFICKUPKUBRI-LPHOPBHVSA-N 409.490 0.852 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1304148930 SFIHHTJNHMFIMW-HNNXBMFYSA-N 413.482 0.541 30 20 HCED Cn1cc(N2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)cn1 1318924784 YZARHLCBIZGLDJ-GOSISDBHSA-N 421.461 0.846 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](CO)CC1CCOCC1 1321194959 TVCKKLKBQHPMPM-PBHICJAKSA-N 409.508 0.766 30 20 HCED N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2=O)cc1 1321198355 XCLUPIPNGKJNKY-KBMXLJTQSA-N 411.418 0.720 30 20 HCED Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 1463491693 NTVOHONWKGWVIP-UHFFFAOYSA-N 415.512 0.889 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 1468254158 KPQURTQHGPVKIP-WBMJQRKESA-N 411.505 0.261 30 20 HCED CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1541162082 YCDGLQNHLDGIGS-CQSZACIVSA-N 423.499 0.412 30 20 HCED CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548319675 YSMLVTZKFIIJTQ-OAHLLOKOSA-N 403.512 0.884 30 20 HCED CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1597318632 XEQMVIXQYDMJSF-IBGZPJMESA-N 405.455 0.974 30 20 HCED Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)c2cnn(C)c21 1611244499 JOCGCCXUMANINS-BXUZGUMPSA-N 400.439 0.761 30 20 HCED CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCC1 1622144599 PRYVCLFKKSWVKY-INIZCTEOSA-N 418.516 0.930 30 20 HCED COCCN1C[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1698077115 WTAKFHPYJIDQHU-AUUYWEPGSA-N 416.461 0.615 30 20 HCED C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1707952524 MZRNJEKOUNGYBB-AWEZNQCLSA-N 416.507 0.918 30 20 HCED Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc(C(N)=O)nc3)CC2)c1C#N 1742669754 QKPSTBIFIVBMCH-UHFFFAOYSA-N 420.481 0.369 30 20 HCED CC[S@@](=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747449077 GMQDTABYJWFBKD-WQIZZMQYSA-N 407.544 0.361 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)[C@@H](N)CN)C2)c1Cl 1778000964 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N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC[C@H](OCC4CC4)C3)n2)cc1 427036349 BCOSHBNDBHPDBU-SFHVURJKSA-N 408.462 1.554 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 430378741 STDNJSFRIRSXCK-HKUYNNGSSA-N 408.543 0.487 30 20 HCED C=CCOC[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)OC 435935148 JCXZXBXLCYLPBZ-HNNXBMFYSA-N 412.464 0.182 30 20 HCED CCOC(=O)[C@](C)(NC(=O)Cn1cnc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 435974790 VKJHCRHINBYRAA-QGZVFWFLSA-N 405.436 0.148 30 20 HCED COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCC(=O)NCCO)c2)c1 439261725 WSPNPHXUVBVRBB-UHFFFAOYSA-N 423.425 0.036 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1=O 440275730 TWHRZAQKZLPBSC-MRXNPFEDSA-N 410.409 1.067 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1=O 441003116 MECPCPIRGURAPV-CQSZACIVSA-N 409.450 0.793 30 20 HCED C[C@H](C[S@](C)=O)N(C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 442039659 CCGPYTBGQRIPIN-DQQVXTMASA-N 407.883 1.561 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 442300295 HKWKRYVCIXIQSZ-UHFFFAOYSA-N 424.498 0.972 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)ccc1OC(F)(F)F 443293594 GFESJNZMMRHQHL-UHFFFAOYSA-N 422.323 0.732 30 20 HCED N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 443489350 VKFBBFPDDVTMHE-MRXNPFEDSA-N 418.450 0.579 30 20 HCED COc1ccc([C@H](C#N)N2CCN(C(=O)CSc3nc(N)cc(N)n3)CC2)cc1 444400353 DCBHVFKCXOTEGG-HNNXBMFYSA-N 413.507 1.151 30 20 HCED CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 460733447 IIDZBFMLQKSYSW-INIZCTEOSA-N 409.450 0.937 30 20 HCED C=C[C@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 465343710 QORHJCZWIRBRNT-ZDUSSCGKSA-N 410.496 0.261 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 472737671 SZTMXXCUTZRJNW-QGZVFWFLSA-N 414.487 0.748 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NCCC(=O)NC3CCCCC3)CC2)nc1 476513938 KUNICTHFTMHQSJ-UHFFFAOYSA-N 412.494 0.557 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCC2CCN(CC#N)CC2)cc1 478856875 RKCHQLHWOJYTNG-UHFFFAOYSA-N 406.508 0.909 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c(C#N)cn1CCOC 481443004 XQAFWMRSQQATQU-CHWSQXEVSA-N 407.427 0.337 30 20 HCED C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CN1CCN(C)CC1 482185447 ZVPULSVMIXHYEZ-HZPDHXFCSA-N 407.540 0.225 30 20 HCED N#Cc1c(NC(=O)CCN2CCN3C(=O)C(=O)NC[C@H]3C2)sc2c1CCCCC2 483495497 YVXFUFTXMRYXNA-ZDUSSCGKSA-N 415.519 0.860 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2C)C1 486619458 ANYYWXOYCIHOJV-INIZCTEOSA-N 415.537 0.928 30 20 HCED N#Cc1ccc(Br)c(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 492517714 YOJJXJHHBAGNGA-JKSUJKDBSA-N 414.325 0.908 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 493945804 UQFRLNJFWUDMCC-NSHDSACASA-N 416.406 0.638 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CCCN2C2CCCCC2)CC1 496282458 IZOUQAQEZHBSQO-IBGZPJMESA-N 419.570 0.346 30 20 HCED C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(C#N)cn2)CC1 497495470 QZIFAFUXYIDNRO-QGZVFWFLSA-N 406.494 0.603 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 499399666 JOUAKCRJFYXLGK-UHFFFAOYSA-N 413.521 0.872 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 502268616 OFAIRVBIJBECCQ-WOJBJXKFSA-N 423.517 0.862 30 20 HCED C[C@@H]1CN(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 503168680 LAUAUWLIWFKIDH-HZPDHXFCSA-N 421.523 0.468 30 20 HCED CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 510304176 AQCFOCNBLUVABK-CQSZACIVSA-N 409.487 0.953 30 20 HCED CCCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccnn2CC)c1=O 512780701 FLCFUGBWRUQIAY-CYBMUJFWSA-N 403.508 0.190 30 20 HCED CCOC(=O)Cn1cccc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])c1=O 513813219 ZNAXYFZFCHEZTI-UHFFFAOYSA-N 406.376 0.992 30 20 HCED Cn1ccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 515704767 OMWDNUBKORRMNV-UHFFFAOYSA-N 400.870 0.953 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cccc(F)c2F)c1=O 518595066 IMSJTAZQURYZMT-UHFFFAOYSA-N 405.426 0.570 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2CCO[C@@H](C#N)C2)c1 519285565 AQKGYUBKGXDRGT-AWEZNQCLSA-N 410.496 0.889 30 20 HCED COC(=O)[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCOCC1 521271750 NNNSKBJDAYFPPL-MRXNPFEDSA-N 423.491 0.743 30 20 HCED N#C[C@@H]1CN(CC(=O)Nc2cc(N3CCO[C@H](C#N)C3)ccc2[N+](=O)[O-])CCO1 532548109 HGWXREDPGGTUTQ-HUUCEWRRSA-N 400.395 0.486 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C 542220526 CORKVRJSHAOCBT-UHFFFAOYSA-N 404.835 0.814 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)OC)cc2)c(=O)n1C1CC1 542940722 IYONGOBMZNLZSV-UHFFFAOYSA-N 413.455 0.046 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cc1 544871318 CNNXIWZORDFCIV-MRXNPFEDSA-N 414.466 0.995 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)ccc1O 546599849 XMONYIRGDQENDG-UHFFFAOYSA-N 406.402 1.417 30 20 HCED N#Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C[C@H]2C(N)=O)ccc1C(F)(F)F 548764166 RGWSPBPICQNSGH-PELKAZGASA-N 405.354 0.916 30 20 HCED COC(=O)c1c(F)cc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 549692480 AXFDARTUNNHMGR-UHFFFAOYSA-N 420.376 0.958 30 20 HCED Cn1ncc2c(N3CCN(C(=O)C(=O)NCc4cccc(C#N)c4)CC3)ncnc21 550971943 KJDJCLVRSMMQQF-UHFFFAOYSA-N 404.434 0.200 30 20 HCED CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 554231992 AHENRBXQNKUULU-KRWDZBQOSA-N 415.542 0.630 30 20 HCED N#C[C@@H]1CN(C(=O)C(=O)NC2CCN(C(=O)C3CC3)CC2)CCN1Cc1ccccc1 555909227 QXUPJSLXWBJPGR-HXUWFJFHSA-N 423.517 0.740 30 20 HCED Cc1ncc2c(n1)CC[C@H](NC(=O)C(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)C2 559588814 HXBZQAGVIFFVHE-VQTJNVASSA-N 418.501 0.995 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2COC(C)C)CC1 559822398 YEMBWXMHAVAKRV-UHFFFAOYSA-N 416.522 0.674 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)C2=O)cc1 561377330 WHLNGRXNINGVAD-QZTJIDSGSA-N 420.473 0.905 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[C@H](Cn3ccnn3)C2)n1 562127943 HHVWDIRJUNGXTQ-AWEZNQCLSA-N 405.422 0.608 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)O1 566701077 UNMTVJZYHYWMSZ-JCGIZDLHSA-N 414.462 0.038 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 571207725 FWWMDNWLMPVFKP-KDOFPFPSSA-N 413.482 0.895 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccnc3)C2=O)cc1 573769215 IKRRQLPBIRGZLI-QGZVFWFLSA-N 413.459 0.149 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCN(c2cnccc2C#N)CC1 574626946 XFLXVRALDLIUBF-ZIAGYGMSSA-N 402.455 0.241 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)NCCNC(=O)c2cccnc2)CC1 578611196 TWWVIISMQRFUGT-UHFFFAOYSA-N 406.446 0.148 30 20 HCED COC1(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 588645252 VCNLCYCKRAVOIQ-QGZVFWFLSA-N 414.462 0.482 30 20 HCED CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 589833604 SBXHCTMBTHUJBP-AWEZNQCLSA-N 401.423 0.588 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 608050126 IDSCXDAPYXEEMW-SUMWQHHRSA-N 417.491 0.808 30 20 HCED CS(=O)(=O)N1CCC(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 608925748 WHGXHKSKIGIUHX-UHFFFAOYSA-N 402.480 0.728 30 20 HCED C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)C1 609336654 DPBILUWYXSYQQF-QZTJIDSGSA-N 404.559 0.806 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)cn2)c1 610102955 ZORZKZJQMBLKPB-UHFFFAOYSA-N 400.416 0.941 30 20 HCED CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 611373066 ASYRQYFQKFHCTF-RBUKOAKNSA-N 404.559 0.093 30 20 HCED N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1CC(N)=O 679753546 UXWOYPBQTBGCEA-UHFFFAOYSA-N 412.496 0.591 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(OC(C)C)cc1 726582435 KJXYOVOOZXIXIG-UHFFFAOYSA-N 423.498 0.669 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CCOCC2)cc1 728405491 QMHWRJZKFQHRBD-PGMHBOJBSA-N 408.480 0.733 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 728533092 ACBKLRQBJPRONI-AWEZNQCLSA-N 404.417 0.211 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2(CNC(=O)OC(C)(C)C)CCCC2)C1=O 732130099 BXNAPPHARRGVKG-UHFFFAOYSA-N 408.455 0.917 30 20 HCED O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 732466154 LZPJMVPDGGQMIK-ISLYRVAYSA-N 413.434 0.386 30 20 HCED COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1c(C)noc1C)c1ccc(C#N)cc1 740195973 WUDOISJGNSNKKN-HNNXBMFYSA-N 407.404 0.899 30 20 HCED C#CCN(CC#CC)C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 742003773 GYRUSGMCBPMNAG-UHFFFAOYSA-N 404.488 0.744 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cn(CC(N)=O)nn2)n1 743301518 IGWMTJWASWGWJS-UHFFFAOYSA-N 405.469 0.129 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCOC)c2)c(=O)n1CCCC 743727464 NEQWZSXQRARFRZ-UHFFFAOYSA-N 415.519 0.358 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)cc1 744007924 PNJXEHFSURORPL-UHFFFAOYSA-N 411.399 0.822 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 746264276 ARGLOYKHVDEAFV-ZDUSSCGKSA-N 419.463 0.389 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4=NC[C@H](C)S4)CC3)CC2)o1 750829779 LUKAGNVODPLUDI-AWEZNQCLSA-N 417.539 0.612 30 20 HCED CN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)S(=O)(=O)c1cccnc1 757574330 DVXSAZJGCWBOCQ-ZFWWWQNUSA-N 423.495 0.577 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 762242452 QOCKURYONQCAGH-LJQANCHMSA-N 413.478 0.585 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762941676 TZHBCLZYKBLOLN-XIKOKIGWSA-N 424.479 0.050 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(OC)nc1 763459966 DDCCWUHCIPDHJL-UHFFFAOYSA-N 421.482 0.446 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1 767635937 HHBFZDDQDBIELI-XIKOKIGWSA-N 404.448 0.577 30 20 HCED Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 770871230 JBQWYXUYYIXHHM-LBPRGKRZSA-N 407.477 0.691 30 20 HCED C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@H]1CCCO1 773560757 SCELKDYEZKGHNU-HZPDHXFCSA-N 410.496 0.878 30 20 HCED CC1CCC(NS(=O)(=O)CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)CC1 783610586 ORBOPIBTWDIOMS-UHFFFAOYSA-N 407.452 0.848 30 20 HCED 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419.485 0.712 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CS(=O)(=O)N2CCCC2)C1 1843413871 BVBPGCIPZQUDFD-HNNXBMFYSA-N 413.540 0.189 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2 1844236839 KUMOSNXVRJICNG-OAHLLOKOSA-N 413.540 0.189 30 20 HCED C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](C)NC=O)C1 1845176896 XCSOMQXFZGWGSA-HUUCEWRRSA-N 408.499 0.794 30 20 HCED COCCOCCOCCOCCC(=O)N1CCCC12CN(C(=O)CCC#N)C2 1845245524 RLQNUONBNPBFCK-UHFFFAOYSA-N 411.499 0.580 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC2(CCCN2C(=O)CCOCCOCCOC)C1 1846248646 AITKJCUAYOVQGU-KRWDZBQOSA-N 412.527 0.833 30 20 HCED CN1N=C(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)/C=N/O[C@H]2CCCCO2)CCC1=O 1848044903 XIJVSGBAJGUDNG-SPMRVULHSA-N 405.455 0.325 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)c1 42155913 OJYUAXJPTRINMK-UHFFFAOYSA-N 404.386 0.758 30 20 HCED CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nccs1 52077506 BOFPPBQPRBEXTK-UHFFFAOYSA-N 405.505 0.984 30 20 HCED CN1C(=O)C(/C(N)=N\OCc2cccc(S(=O)(=O)N(C)C)c2)=C(N)C12CCCC2 109087546 AGMGUMUBYJJYGZ-UHFFFAOYSA-N 421.523 0.723 30 20 HCED CCOC(=O)c1c(NC(=O)NCC2(S(C)(=O)=O)CC2)c(C#N)cn1CCOC 432412711 IFMPAUUEZMKYMC-UHFFFAOYSA-N 412.468 0.882 30 20 HCED C[C@](O)(CNS(=O)(=O)c1ccc(C#N)c(Br)c1)CN1CCOCC1 433888711 SQIFWAJBQBWNBU-HNNXBMFYSA-N 418.313 0.682 30 20 HCED CN(Cc1cnc(N(C)C)nc1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 441631133 ZZFWLNPDUINWCL-UHFFFAOYSA-N 422.424 1.336 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 443467110 QTHFHBVUEBNBCV-UHFFFAOYSA-N 400.526 0.591 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 446529299 ZISWDANBMWVEGD-IBGZPJMESA-N 416.478 0.867 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 460708103 HFHWGBIGRHVDEP-UHFFFAOYSA-N 421.461 1.569 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2CCCN(CC#N)C2)cc1 461481719 QRKGLYNXZCEZRM-GOEBONIOSA-N 421.523 0.664 30 20 HCED CCn1c(CCC(=O)N2CCOC[C@@H]2C#N)nc2cc(S(=O)(=O)N(C)C)ccc21 461648144 QHSZMQCHTVFTSF-AWEZNQCLSA-N 419.507 0.990 30 20 HCED C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 468276688 AEUWVYGHRJIQJE-PJACHSRJSA-N 422.485 0.946 30 20 HCED CCN(C(=O)CN1CCN([C@H](C#N)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 471149317 TYSMWMFEEQHGHV-RTBURBONSA-N 404.536 0.904 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NCCS(=O)(=O)c3ccccc3)CC2)c1C#N 472107874 IOLIGZXOVNXYPB-UHFFFAOYSA-N 416.507 0.906 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(OCC)c2)CC1 477886041 ZKOXGDCULMIDOJ-INIZCTEOSA-N 402.495 0.709 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478040566 MLLOFRGQSXBPBT-KRWDZBQOSA-N 420.535 0.197 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CC(N)=O)nnc12 482299607 UXEVWQZJARKPFU-NSHDSACASA-N 400.464 0.702 30 20 HCED C=CCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccnn2C)c1=O 488057254 NJBYMJFZOILEOC-UHFFFAOYSA-N 405.483 0.995 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCO1 499733663 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C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCNC(=O)c1cccs1 533887543 JHPASVNKVJXWJE-LBPRGKRZSA-N 406.489 0.833 30 20 HCED COc1ccc(CCNC(=O)C(=O)Nc2cccc(C)c2C#N)cc1S(N)(=O)=O 539867090 NUTIOUNBBDQCOK-UHFFFAOYSA-N 416.459 0.820 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 542451832 RGGOTUAKFRUABE-HUUCEWRRSA-N 421.475 0.558 30 20 HCED N#CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 543378632 RDICVJNDPURWLN-UHFFFAOYSA-N 407.452 0.337 30 20 HCED CN1CCN(CCCNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 543937214 HWVMQIPSMMCOGF-UHFFFAOYSA-N 413.457 0.575 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(-n4ccnn4)c3)CC2)n1 546910795 UKRCGCSLINEXEI-UHFFFAOYSA-N 402.418 0.821 30 20 HCED O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCC#Cc2cccc(F)c2)CC1 549206973 NCWPWPIQQOFCPQ-UHFFFAOYSA-N 400.410 0.180 30 20 HCED CC(C)N=c1[nH]c(N2CCN(c3cccc(F)c3C#N)CC2)nc(=NCCO)[nH]1 552971155 IOBVFWZGDTXWSY-UHFFFAOYSA-N 400.462 0.277 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 561830368 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30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CC(N)=O)c2=O)s1 608912568 VFLUOSJVXKHGJH-UHFFFAOYSA-N 416.528 0.327 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cccnc3-n3cncn3)CC2)cc1 609939556 NEXCNXCWOOPLDY-UHFFFAOYSA-N 416.445 0.817 30 20 HCED COc1cc(C#N)ccc1OCCN1C(=O)N[C@H](CC(=O)N2CCOCC2)C1=O 610117107 HXNHPBRLQCWOBJ-CQSZACIVSA-N 402.407 0.115 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C 611222398 BQCBCPFSELRNTC-UHFFFAOYSA-N 412.393 0.126 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)cc1 616877985 KFYLVCDOXPIPAO-UHFFFAOYSA-N 424.523 0.805 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(S(N)(=O)=O)s3)C2=O)cc1 616948304 PFQOGPOATJEMPN-OAHLLOKOSA-N 418.500 0.727 30 20 HCED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)CCC(=O)NO)CC1 671997973 VSLMPVFAGCYJFP-UHFFFAOYSA-N 400.413 0.022 30 20 HCED CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403721 MLIZFACFVDMFKW-UFOSLELVSA-N 410.521 0.823 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1 727947366 HCMNOLWIUMRNCH-UHFFFAOYSA-N 424.413 0.747 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 728534656 PBOONZJAECJXHY-UHFFFAOYSA-N 404.423 0.509 30 20 HCED CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)CS(C)(=O)=O 732975980 DDTZOZXXWYELLS-CYBMUJFWSA-N 415.537 0.787 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CS(C)(=O)=O 733287136 GQEACPYSSLPYNE-OCCSQVGLSA-N 415.537 0.689 30 20 HCED CN1CCN(S(=O)(=O)c2cccnc2NN=C2C(=O)Nc3ccccc32)CC1 734750621 AJVOVXQMTPFBCZ-UHFFFAOYSA-N 400.464 0.786 30 20 HCED C#CCSCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 740149750 RGAOMCGANYGRSK-UHFFFAOYSA-N 411.549 0.930 30 20 HCED COCC(=O)NC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742546383 OTWSJQUYHIGPMS-CYBMUJFWSA-N 422.507 0.257 30 20 HCED CC(C)(C)OC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 746633697 ZNNIQFHTXUNGRA-ZDUSSCGKSA-N 409.464 0.294 30 20 HCED CCn1c(=O)c2ccccc2n(CC(=O)N(CCC#N)CCN2CCOCC2)c1=O 749379328 MTHFPWBRMPCLCZ-UHFFFAOYSA-N 413.478 0.258 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cc1C#N 752394156 SQOSDAXCPBNIBI-ZDUSSCGKSA-N 403.439 0.902 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(F)cc2Cl)c1=O 758077570 AKDXDWMPSUKMRV-UHFFFAOYSA-N 419.865 0.601 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 761033445 WZGUDZOGKRSMFV-WBVHZDCISA-N 406.508 0.100 30 20 HCED N#Cc1cccc([C@@H]2CN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CCO2)c1 761330484 OORZCVRTCICEJX-KRWDZBQOSA-N 407.473 0.968 30 20 HCED C#CCCN1CCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 762295471 ZUOLGMVGQWJPCD-OAQYLSRUSA-N 413.478 0.134 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)cn1 763426824 NKUVKIFLZRIIIH-SJLPKXTDSA-N 420.429 0.678 30 20 HCED Nc1ccnc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 771045715 CDURHNRPFBWCQZ-UHFFFAOYSA-N 402.480 0.974 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)CO)cc1 771244722 WPXAUGKVSHSXBW-QNGOZBTKSA-N 410.496 0.573 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1)[C@H]1CCCO1 773796832 ZBQFJLVZMZKKAT-WOJBJXKFSA-N 414.506 0.548 30 20 HCED C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC)[C@H]1CCCO1 775338775 HNBDOFAHUZYICV-LZLYRXPVSA-N 422.503 0.525 30 20 HCED C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)S(N)(=O)=O 779597254 BQZBHKBFLAITDQ-FXONDUCNSA-N 417.513 0.298 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CC(=O)NC(=O)C12CCCCC2 782974315 SKWHFUCDBCIPGC-UHFFFAOYSA-N 401.394 0.964 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)C1 782998833 YXPJRZLOWLMZQA-RRFJBIMHSA-N 406.487 0.945 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1 784707785 RUZFFDJMKBZYBV-UHFFFAOYSA-N 401.444 0.862 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2nnnn2CC(F)(F)F)c1 795324385 NIEUDTVTXLGCCY-UHFFFAOYSA-N 404.330 0.129 30 20 HCED CCCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(C)C1=O 801507863 PDVIQINZWKRVPX-JSGCOSHPSA-N 420.491 0.500 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(F)c(N2CCOCC2)cc1F 806967943 XEECYTWMOFIUME-UHFFFAOYSA-N 417.434 0.457 30 20 HCED CC(C)(C)NS(=O)(=O)c1ccc(NNS(=O)(=O)c2cncc(C#N)c2)nc1 811678573 FJMORESMPJTRDV-UHFFFAOYSA-N 410.481 0.730 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2ccccc2)c1=O 838164198 RTPULOVMBCYZAY-AWEZNQCLSA-N 401.488 0.210 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc([N+](=O)[O-])n3C)CC2)o1 915381651 CXHCUDKZTUUQBM-UHFFFAOYSA-N 402.367 0.607 30 20 HCED COCCCNC(=S)NN=Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 916279670 FOSWUWJESNFBIW-UHFFFAOYSA-N 424.523 0.767 30 20 HCED C#CCN1CCC(C(=O)N2CCO[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 944695080 PPAXPNZFBBHNGA-ROMHJBHXSA-N 401.507 0.099 30 20 HCED Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1N1CCNC1=O 1122496800 QTSWIVHXSNVSCO-CQSZACIVSA-N 404.448 0.104 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H]4COCC[C@@H]43)CC2)cc1 1134402653 KWWACDPZDXYTLX-RBUKOAKNSA-N 419.503 0.975 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 1140714505 YJGZISQYHRZLDN-UHFFFAOYSA-N 400.482 0.054 30 20 HCED CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1297796466 NQICBBAYWHNHIM-BCOMRZATSA-N 413.507 0.799 30 20 HCED C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1301969327 WAPYQRFNEXKLGJ-PMPSAXMXSA-N 410.544 0.497 30 20 HCED Cn1c(CC#N)nnc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1321067917 UHXRQYMLELUYKP-QWHCGFSZSA-N 413.525 0.168 30 20 HCED C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1494593434 NVZWJYOBHMTIRE-AWEZNQCLSA-N 405.480 0.998 30 20 HCED C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC(N)=O 1507785078 MTDQXEYWSUWAKR-MNOVXSKESA-N 420.333 0.789 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)cc1 1521109966 IRIFSAWVNVFWBW-GOSISDBHSA-N 421.461 0.984 30 20 HCED COc1ccc(C[C@](C)(CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1558240285 VRHMNJLJYVDEIZ-HXUWFJFHSA-N 417.487 0.844 30 20 HCED CC(C)(C)C(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1596957389 NVOHFNZCCSAKOZ-KBPBESRZSA-N 424.527 0.071 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2C#N)C1 1645477583 RANWJGWRYZKMRW-MSOLQXFVSA-N 411.524 0.670 30 20 HCED N#CC[C@]1(O)CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 1675454772 OSIMDZAVBWHHRP-NRFANRHFSA-N 415.494 0.907 30 20 HCED CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC[S@](=O)CC 1709137410 UINLFDMQTHZZIR-MUUNZHRXSA-N 404.544 0.849 30 20 HCED N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC2(C(N)=O)CCOCC2)cc1 1712879945 RPQGTTOKBUHULX-UHFFFAOYSA-N 409.450 0.035 30 20 HCED CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1728117641 YICFSBKDQCNJKN-CVEARBPZSA-N 423.543 0.198 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)Cn3ccccc3=O)CCO2)C1 1778969396 KAPNGSGUCTXKOT-HRAATJIYSA-N 403.479 0.251 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CCC1)C2 1779327381 SYXSCUZCCKVESA-GCKMJXCFSA-N 419.526 0.902 30 20 HCED CS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)c1 1782152144 QDGRHFNODZDRNK-LJQANCHMSA-N 423.466 0.976 30 20 HCED C#CCCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C2 1782192452 WQYAZKQCBUSKKY-TXTKFYIRSA-N 418.582 0.940 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CN3C(=O)C=CC3=O)C2)CCC1 1782317934 QHIKPAFTBCZHHN-QVKFZJNVSA-N 414.462 0.119 30 20 HCED CC[C@@H](NC(C)=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(C)(C)NCCC#N)C[C@@H]21 1783579897 WDXZPYBDXPKYIT-FJIDUMEYSA-N 421.542 0.163 30 20 HCED N#CCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc(N4CCOCC4)cn3)C[C@@H]21 1786364135 CWZBLJKNELTDNR-IEZWGBDMSA-N 413.478 0.425 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4ncccn4n3)[C@H]2C1 1787937631 SBPDZZIIAUWKEM-ZQDZILKHSA-N 418.523 0.672 30 20 HCED Cc1cnc2c(C(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](C)S)C[C@@H]43)cnn2c1 1788338362 ZJOFAQZVGKROSF-VRKREXBASA-N 403.508 0.949 30 20 HCED C=C(C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3nc(N)n[nH]3)[C@H]2C1)C(F)(F)F 1788506017 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C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(C)nc3ccccn13)C2 1793342976 CXFZACWINHCRLP-BMFAXAFESA-N 410.474 0.884 30 20 HCED CC(C)(NCCC#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1csc(N)n1 1795662694 QDWKSTYLJQRCTP-DABQJJPHSA-N 406.512 0.210 30 20 HCED N#Cc1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(=O)n3[nH]cnc3n2)c1 1796184924 LZRBMUQFEMOGPQ-MUJYYYPQSA-N 417.429 0.855 30 20 HCED C=C1CC(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H](C)[C@H]2SC(=N)NC2=O)C1 1796422444 NAWHPXIFUHUADP-TVKJYDDYSA-N 406.508 0.345 30 20 HCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cccc(C#N)c2)C3)nn1C 1798760134 QOTKWUVCUGUBEU-HGKCTWBKSA-N 409.446 0.817 30 20 HCED C#CCCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)n1nc(C)ccc1=O)C2 1800995393 CXYDYRUBUZIVQD-XEMDLRDOSA-N 414.506 0.680 30 20 HCED N#Cc1ccccc1OCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)nn1)C2 1801989543 OXZXXTWLZFCOMG-YVWYUNDQSA-N 423.429 0.336 30 20 HCED C#CCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1c(Br)cnn1C)C2 1802021292 DKOLZKDUWDSEPA-JJLQDPRZSA-N 409.284 0.799 30 20 HCED CC(C)(C#N)C(=O)NC[C@@H]1CCN(C(=O)CCN2C(=O)C=CC2=O)[C@H]1c1cccnc1 1802684600 OHDAEVVJRVPPQG-JXFKEZNVSA-N 423.473 0.952 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)C(=O)C2CC2)[C@H]1c1cccnc1 1803052739 LGZWEHBIAVZMLK-ZRKWLUJRSA-N 410.474 0.925 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2ncn(C)n2)[C@H]1c1cccnc1 1805318515 UGRTXBULGRXUHC-QXJVMSCWSA-N 423.477 0.388 30 20 HCED C=CCO[C@H](C)C(=O)N1CCCC2(CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)C1 1806023951 ZKBFCIOWQLPEFJ-HUUCEWRRSA-N 406.483 0.407 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N1CC[C@@H](CNC(=O)CCC#N)[C@H]1c1cccnc1 1806865692 JBVGQWDHBQMUQJ-USXIJHARSA-N 403.439 0.456 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)C[C@H](NC)C(=O)O)[C@H]1c1cccnc1 1807200049 XIBGBRJSEYDXSL-VYCZESIESA-N 418.494 0.741 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)NC[C@@H]1CCN(C(=O)C#CC(=O)O)[C@H]1c1cccnc1 1808434574 LFLRDEHALNHPQC-AZOIQLNYSA-N 400.435 0.042 30 20 HCED CC(=O)c1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)n[nH]1 1812876404 KRPMIQRAZDYLKZ-AUUYWEPGSA-N 409.402 0.415 30 20 HCED CC(C)(C)n1cc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1 1812877399 IAMMBUHETQBSGF-DNVCBOLYSA-N 424.461 0.836 30 20 HCED N#Cc1ccc(CC(=O)Nc2cc([C@H]3CCCCN3C(=O)CNC(=N)N)[nH]n2)cc1 1814496061 TZSRVKHYLSVLCP-MRXNPFEDSA-N 408.466 0.999 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)CN3CCOCC3)sc2C1 1814557294 AENINBYUBLYWNP-UONOGXRCSA-N 406.508 0.426 30 20 HCED N#Cc1c[nH]c(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CN3CC(=O)NC3=O)[nH]n2)c1 1820304408 DIZBCCZSGTWNSF-CQSZACIVSA-N 424.421 0.467 30 20 HCED C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)CN2C(=O)CNC2=O)CC1 1824490282 AYTWBCQHCYFFRZ-NVXWUHKLSA-N 418.494 0.196 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(Cl)nc4)CCO3)C2)CC1 1829517113 MOXRBIOCKGRGCV-SFHVURJKSA-N 405.842 0.504 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)C[C@@H](N)c4cccnc4)C3)C2)C1 1829667254 XZBPWIGQBURTBS-DENIHFKCSA-N 414.506 0.894 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4nncn4c3)C2)C1 1830057426 DVJZYGCYDPUSKY-FQEVSTJZSA-N 412.450 0.349 30 20 HCED CN1CCCC[C@H]1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1830774113 QWGFBMGCEPMILZ-GHTZIAJQSA-N 415.494 0.441 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1ccnc1 1830987759 SDTDSATVLCXCMJ-OXQOHEQNSA-N 401.467 0.594 30 20 HCED O=C(C#CC1CC1)N1CCO[C@@]2(COCCN(C(=O)COc3ccc(O)cc3)C2)C1 1831207688 YPBXTMXKMKIETH-QFIPXVFZSA-N 414.458 0.641 30 20 HCED Cc1ncc(CC(=O)N2CCOC[C@]3(CN(C(=O)C#CC4CC4)CCO3)C2)s1 1831224393 KXEKDKJSHDQLMI-FQEVSTJZSA-N 403.504 0.864 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)nc3)C2)C1 1831391035 DWPQFYRSTOCWKU-UTKZUKDTSA-N 401.463 0.498 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831396369 KWFMOVUDXXJXGX-FHMMEVJKSA-N 417.462 0.193 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)CC(N)=O)CCO2)C1 1831602945 CCAHTFJRPOBTLD-CSODHUTKSA-N 407.511 0.723 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(OC)nn4C)CCO3)C2)C1 1833438126 CBIPTPDJLVETKV-HXUWFJFHSA-N 404.467 0.465 30 20 HCED C#CCO[C@H](C)C(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)n3cncn3)CC2)CC1 1833469244 NJYKMIFBNBBBCS-IAGOWNOFSA-N 416.526 0.449 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cnc(OC)c(F)c1)CCO2 1833488192 DSHKPPGMONGYDD-HXUWFJFHSA-N 405.426 0.713 30 20 HCED CN(C)c1ccncc1C(=O)N1CCO[C@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1833660294 VAKASVSULILQDL-QFIPXVFZSA-N 412.490 0.631 30 20 HCED CC(=O)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@H](S)C(C)C)C3)C2)n[nH]1 1833820630 JXALKVSIOSLFDQ-QFBILLFUSA-N 424.523 0.637 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnc(C)cn3)CCO2)C1 1834078519 REFCPKHTOPMVAH-OXJNMPFZSA-N 404.467 0.446 30 20 HCED C[C@](O)(CC(=O)O)CC(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834603755 ZLAFAMYQFJDHKU-HXUWFJFHSA-N 420.510 0.478 30 20 HCED C[C@H](S)C(=O)N1CCC(N2CCC(NC(=O)[C@@H](N)c3ccccn3)CC2)CC1 1834726824 XEBOCSAPFNJNSY-KSSFIOAISA-N 405.568 0.971 30 20 HCED COc1cccc(CC(=O)N2CCOC[C@@]3(CN(C(=O)CCC#N)CCO3)C2)n1 1835354839 GIDDLZLZCCUWJO-HXUWFJFHSA-N 402.451 0.393 30 20 HCED C=CCC(F)(F)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCC3=O)CCO2)C1 1835414109 VLNVFITYCGRAGV-SFHVURJKSA-N 415.437 0.277 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H](CN)c3ccccc3)CCO2)C1 1835807419 NQHADFKDTHCELE-AVRDEDQJSA-N 414.506 0.735 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)CNC(=O)c4ccco4)CCO3)C2)C1 1836121604 KQQCXSCAZMRQSP-NRFANRHFSA-N 417.462 0.432 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836190619 SFAMUBLACNDWRB-XMSQKQJNSA-N 417.506 0.654 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3=C(C)OCC3)CCO2)C1 1836271432 CARNZOBVCCAKCZ-DYESRHJHSA-N 408.495 0.710 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)NC(=O)C=C)C2)C1 1837308828 BEBYVUWRJMGWJV-HMFYCAOWSA-N 419.522 0.902 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cscn3)C2)C1 1839224813 PJCCHISURHPZBZ-KXBFYZLASA-N 424.523 0.943 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1n[nH]c3cccc(F)c13)CCO2 1839597750 VJWGNVBSSMCMQS-IBGZPJMESA-N 401.398 0.686 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)CCO2)C1 1839697244 NASUAAWNQPGWKE-QYRAFCHESA-N 422.547 0.891 30 20 HCED CC(=O)O[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)S)CCO2)C1)C(C)C 1840161668 WZEFSYWJHRUAAF-DHSIGJKJSA-N 402.513 0.349 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@]2(CN(C(=O)/C=C/c3cnc[nH]3)CCO2)C1 1840341552 VDMOQLALRHRCTH-YAQIIAKESA-N 418.494 0.862 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCOC1)CCO2 1840536769 YQTRUFGDBPLRJE-AVRDEDQJSA-N 420.506 0.178 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4nc5ccccn5n4)C3)C2)CCC1 1840813786 VYZUOLLUSHGAJR-OAQYLSRUSA-N 424.461 0.493 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](O)c3ccc(OC)cc3)C2)C1 1840840855 QBDQKXYYKQQJMW-IFMALSPDSA-N 416.474 0.598 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840843903 SGVXAXXJVADBTI-NRFANRHFSA-N 400.479 0.392 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)C(=O)OCC)CCO2 1840882061 CONLWZZXQBANNP-IIBYNOLFSA-N 424.494 0.070 30 20 HCED CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1CC2(CCCN2C(=O)C#CC2CC2)C1 1841539965 CWDOEDDFBHEIAD-MRXNPFEDSA-N 405.495 0.879 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC3(CCCN3C(=O)C[C@@H]3NC(=O)NC3=O)C2)c1 1841962324 JZWOXNPHSKVBCE-CJNGLKHVSA-N 409.446 0.729 30 20 HCED O=C1NCCCn2nc(C(=O)N3CCCC34CN(C(=O)C#Cc3ccccc3)C4)cc21 1843998223 CHGBOOGCKXQPHO-UHFFFAOYSA-N 417.469 0.885 30 20 HCED O=C(CNC(=O)C(F)(F)F)N1CC2(CCCN2C(=O)C#CC2(O)CCCCC2)C1 1844283972 LULVFYJQWZVHKL-UHFFFAOYSA-N 415.412 0.567 30 20 HCED C=C(C(=O)N1CCCC12CN(C(=O)CS(=O)(=O)N1CCCC1)C2)C(F)(F)F 1846014541 ZTTWIDLQBGNHIA-UHFFFAOYSA-N 409.430 0.734 30 20 HCED Cc1nn(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)c(C#N)c1C 25053088 MVMQBHIUFJSTIC-UHFFFAOYSA-N 418.475 0.832 30 20 HCED CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)N(CC)C[C@@H](C)C#N)C1 410139656 CXTJYHUWPLYZFV-LSDHHAIUSA-N 402.517 0.446 30 20 HCED C=C[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 426851744 SXCNJMRIPSMTML-ZYHUDNBSSA-N 423.413 0.281 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)F)cc1 429879022 WDESUEITTPQUSN-GFCCVEGCSA-N 405.423 0.564 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](c1ccco1)N(C)C 460584800 NNEJTSGTDYOACL-OAHLLOKOSA-N 407.434 1.398 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3cccnn3)CC2)cn1 460593799 BJGXBKPFLNLKJV-UHFFFAOYSA-N 403.406 0.216 30 20 HCED CCOCCS(=O)(=O)NCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 466343552 MEJBPCAOQVSRNG-UHFFFAOYSA-N 408.524 0.548 30 20 HCED Cc1ccc(NC(=O)CN2CCOC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 471226156 BYZYMYRBZAUYKU-MRXNPFEDSA-N 408.480 0.179 30 20 HCED Cc1nn(C)c(N2CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)c1C#N 472159466 QTVCCJLWXFYHTB-UHFFFAOYSA-N 424.444 0.476 30 20 HCED N#Cc1cc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)nc2ccc([N+](=O)[O-])cc12 473514008 QZZSTMWSBVZSLS-UHFFFAOYSA-N 414.407 0.644 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nncn2C)C1 480797389 FGEXDEAFMHERLU-ZFWWWQNUSA-N 402.480 0.760 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 482785431 DLFVVFIPIXWFPF-OAHLLOKOSA-N 422.551 0.929 30 20 HCED CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 490279422 NWQGFXXFTAYNHW-XKQJLSEDSA-N 406.508 0.739 30 20 HCED C=C(C)CN(Cc1ccc(CO)o1)C(=O)C(=O)Nc1cnn(CC(=O)OC)c1C 507806657 SGKUOPPBZMQNBP-UHFFFAOYSA-N 404.423 0.993 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)cc1 509585889 WVBWBQCKDNOIJH-UHFFFAOYSA-N 413.459 0.443 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1CCCSC 514491405 JVCMMUWFJPIRKG-UHFFFAOYSA-N 400.529 0.863 30 20 HCED CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 516445813 UQVRHMIJUUCXOP-UHFFFAOYSA-N 405.842 0.346 30 20 HCED CN1CCN(Cc2cccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)c2)CC1 518580503 CMUCRVXYFPGUNV-UHFFFAOYSA-N 424.509 0.298 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)n1 536976343 UAUKFZZFHRPHNA-CYBMUJFWSA-N 415.406 0.559 30 20 HCED Cc1cc(NC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)nn1CCC#N 539716515 OEHWTZLDBVSEIZ-INIZCTEOSA-N 403.487 0.502 30 20 HCED CC#CC[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)C(=O)O 540999664 AZKBMFUFQSHRRQ-LBPRGKRZSA-N 404.466 0.602 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2N)CC1 547355161 CFPFZBGSGNGAEC-UHFFFAOYSA-N 406.489 0.836 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 549265513 DPBKHXJHCRKFCL-UHFFFAOYSA-N 424.509 0.902 30 20 HCED C=CCN(Cc1cccs1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 550825734 WIGHNCUAAHFNTP-UHFFFAOYSA-N 414.535 0.991 30 20 HCED COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 551067278 VTLKGMCPURCXSU-CYBMUJFWSA-N 411.422 0.436 30 20 HCED Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1C 555551606 ZZTTZXSOHBSRIX-UHFFFAOYSA-N 400.460 0.712 30 20 HCED CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 560263678 YSTZPFOGKUUGJL-LJQANCHMSA-N 418.457 1.199 30 20 HCED Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 560680763 SNPFXESWROISQR-HNNXBMFYSA-N 401.448 0.075 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 564259531 FSBJYWZZOCQNLK-OAHLLOKOSA-N 404.492 0.886 30 20 HCED CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 567224833 BYROCRSSNSEHMZ-RHSMWYFYSA-N 414.462 0.970 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 573361428 HWQNLAGDBJUDBJ-PMACEKPBSA-N 412.534 0.960 30 20 HCED CC(C)N1CCN([C@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)CC1 576628879 JZSPPHRPLNBMRB-SFHVURJKSA-N 419.551 0.463 30 20 HCED Cc1cc(Cn2nnc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2C)on1 584068276 CIGKWDXJIVMRKN-ZDUSSCGKSA-N 407.438 0.944 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)NCCc3cn4c(n3)CCCC4)CC2)nc1 585727692 NXOUNAZTUMBICG-UHFFFAOYSA-N 421.505 0.930 30 20 HCED CN(CCCNS(=O)(=O)c1cccc(Br)c1C#N)S(C)(=O)=O 588110677 PEDUIABYLDERAO-UHFFFAOYSA-N 410.315 0.881 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 589156850 BMBXVBXRERLAML-UHFFFAOYSA-N 407.854 0.916 30 20 HCED N#Cc1cccc(NC(=O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 604164492 NKDOMXMGJHBWLA-UHFFFAOYSA-N 422.470 0.911 30 20 HCED CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)c1 604169218 UGFIINJKVJYDJQ-UHFFFAOYSA-N 422.445 0.609 30 20 HCED N#Cc1ccccc1N1CCCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 604546048 MSRCMPKJASMIAF-UHFFFAOYSA-N 402.480 0.531 30 20 HCED Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 609836040 GEFPGXWODDPYSS-SFHVURJKSA-N 416.526 0.396 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCC(OC)CC1 612234177 ZKTBNFCCNZDJDC-UHFFFAOYSA-N 404.467 0.749 30 20 HCED CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 618593625 BLJVCDAADBISOA-UHFFFAOYSA-N 415.541 0.123 30 20 HCED CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727160685 IBECRQFXCDWIPN-GFCCVEGCSA-N 415.519 0.465 30 20 HCED N#CCOc1ccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1 727845716 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XXQCVDMCFDWWRO-UWJYYQICSA-N 405.495 0.347 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(=O)n3C)C2)C1 1831421607 LSGYAAXPRQCPNG-IERDGZPVSA-N 419.478 0.046 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1832182443 CTEWCZIAKCBPLC-LRDDRELGSA-N 410.364 0.382 30 20 HCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)C3(C#N)CC3)CC2)CC1 1833453551 CVPXLNWEGCJECV-UHFFFAOYSA-N 410.540 0.296 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4cnc(N(C)C)o4)CCO3)C2)C1 1833896371 TUPVNXDMPIGRQT-HXUWFJFHSA-N 404.467 0.777 30 20 HCED COCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1834966077 XJZQTIOBYPUOBQ-OAQYLSRUSA-N 401.463 0.594 30 20 HCED CC(C)[C@H](O)C(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096057 NKTGSGSQLUOFJA-UNMCSNQZSA-N 400.475 0.511 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)CCNC(C)C)CCO2)C1 1835885629 GERFPKBXCIEHBT-UTKZUKDTSA-N 411.543 0.404 30 20 HCED COC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837560532 RHVGTKPOGXBAIY-YUSOBQLHSA-N 407.467 0.580 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CNC(=O)OC)C2)C1 1837668495 LOYSTPXYYNVGLO-HXUWFJFHSA-N 411.499 0.791 30 20 HCED CC(C)c1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)n[nH]1 1838695360 SJOMFGYFBOYOIE-HXUWFJFHSA-N 401.467 0.907 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4csnn4)C3)C2)c1 1838905759 XYJYHPHCJMHUCM-LJQANCHMSA-N 413.459 0.794 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1839173547 XSZSRNCRCWNTFC-XVAXZDLZSA-N 424.469 0.844 30 20 HCED COCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(C#N)cc1Cl)CCO2 1839423398 YBRIASSGUXHJJN-IBGZPJMESA-N 407.854 0.928 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)Cn3cncn3)C2)C1 1839843095 QCHQPHFHWWKRNL-QKLQHJQFSA-N 405.499 0.583 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C(\C)NC(C)=O)C2)C1 1839890052 DVEQBBYOIIQGOD-MDNBWPLSSA-N 415.437 0.694 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccccc3O)CCO2)C1 1839907070 ZCTZKRYGTCJEQT-VGOFRKELSA-N 418.490 0.982 30 20 HCED Cc1cccc(CCC(=O)N2CCOC[C@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840040981 JQLQJARYGRFEJZ-JOCHJYFZSA-N 414.458 0.472 30 20 HCED C=CCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC(c4ccccc4)=NN3)C2)C1 1840175499 SQGQYGBHQSRZMG-DENIHFKCSA-N 412.490 0.785 30 20 HCED COC(=O)CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)S)C2)C1 1840236743 SUOIDZSPFKRXQB-KXBFYZLASA-N 416.540 0.885 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C3CCC(O)CC3)CCO2)C1 1840273075 LIHCAQWHOUBDOL-XFYJMZHFSA-N 410.511 0.585 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)C4CCC(CO)CC4)C3)C2)CCC1 1840812321 LCYMUYQUZTUWLM-IRZJEQJZSA-N 419.522 0.935 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc[n+]([O-])cc4)C3)C2)CCC1 1840814480 LTKHUNCTCVDIHJ-HXUWFJFHSA-N 400.435 0.084 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(C(C)C)CC3)C2)C1 1840840370 OVAHSWKMCSUHEX-QFIPXVFZSA-N 405.539 0.977 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3c4c(nn3C)CCC4)C2)C1 1840843904 SGVXAXXJVADBTI-OAQYLSRUSA-N 400.479 0.392 30 20 HCED C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@@H](N)CN)C1 1843350025 VAGFRFSMQUPEHP-LSDHHAIUSA-N 409.531 0.335 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1ccc(S(C)(=O)=O)cn1 1847810004 TZRZJJRKPBHTFO-COXVUDFISA-N 407.492 0.892 30 20 HCED Cc1cc(C)n(Cc2cccc(/C(N)=N/OCC(=O)N[C@H]3CCS(=O)(=O)C3)c2)n1 110182465 XJUGDRPLALGNKE-KRWDZBQOSA-N 419.507 0.488 30 20 HCED CN(CC(=O)NCCC(=O)Nc1cccnc1)S(=O)(=O)c1ccc(C#N)cc1 110626334 NWJGCGUBZLACPR-UHFFFAOYSA-N 401.448 0.719 30 20 HCED COC(=O)[C@@H]1CCO[C@H]1C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 428730076 IYBGISGTKVUWTR-SBHAEUEKSA-N 420.554 0.969 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCN(CC)CC2)cc1 429901789 JTRSVHFEXIUSGM-UHFFFAOYSA-N 408.524 0.986 30 20 HCED C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 430231723 ZEJLKDGZZXMBEM-YPMHNXCESA-N 414.853 1.448 30 20 HCED C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433906885 IBVCEUBWLVJHMV-AWEZNQCLSA-N 401.442 0.791 30 20 HCED N#Cc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1 447249837 PEACNPRIFVFGBN-UHFFFAOYSA-N 413.821 0.682 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 468646409 DKVKUEBKPRZPHB-OAHLLOKOSA-N 417.491 0.828 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 471318728 VJJBMUXQZLRXTB-UHFFFAOYSA-N 416.419 0.471 30 20 HCED CC(C)OCCS(=O)(=O)NCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 477210251 WQDINNGEBMXYSV-UHFFFAOYSA-N 422.551 0.937 30 20 HCED COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C#N 477651165 DCQFRHJGFKERDE-ZFWWWQNUSA-N 420.491 0.677 30 20 HCED C=CCN(CCOC)C(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 484598865 HKQHUUFDRAYJFV-UHFFFAOYSA-N 408.480 0.757 30 20 HCED Cc1nnc(SCC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n1CC(N)=O 485296937 VXUWNDBBOVMVAV-INIZCTEOSA-N 413.507 0.573 30 20 HCED COC(=O)CC1(NS(=O)(=O)c2cnc(C)c(C#N)c2)CCS(=O)(=O)CC1 489820218 UESMXAKSVRRQRR-UHFFFAOYSA-N 401.466 0.051 30 20 HCED N#CCCCCS(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 495256681 NKZGMMIDOPIWEQ-MRXNPFEDSA-N 408.528 0.895 30 20 HCED C[C@@](C#N)(NC(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)C1CC1 497491840 GNSQWESHHSUBNZ-IBGZPJMESA-N 416.507 0.678 30 20 HCED C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 504103561 LUTANMIIDIDKQD-IERDGZPVSA-N 409.446 0.890 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 505037234 AYOHHZLUAGJZOV-CZUORRHYSA-N 418.479 0.173 30 20 HCED Cn1nnc2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc21 508850072 DUMCZQNEUDXLTO-UHFFFAOYSA-N 411.447 0.382 30 20 HCED COCCOc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)c1 511060260 DJNGOMSCUGASOV-UHFFFAOYSA-N 401.488 0.500 30 20 HCED O=C(NC[C@H]1CS(=O)(=O)CCO1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 511454588 OKVDTNVTFPNQJQ-SFHVURJKSA-N 413.455 0.350 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)NCCOC)n(-c2ccccc2)c1=O 512761527 CTYYAZMDKSXFBB-UHFFFAOYSA-N 423.498 0.381 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 523525854 LRJMZCHGKBNEDC-UHFFFAOYSA-N 413.459 0.216 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1Cc1ccon1 531939318 NNGNOTGGAPETGR-UHFFFAOYSA-N 412.496 0.917 30 20 HCED COC(=O)CN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 532485269 WYGBJIGVSCBFCR-ZDUSSCGKSA-N 409.464 0.406 30 20 HCED COCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)n1 541065133 NCSVUJUZNWQJSS-UHFFFAOYSA-N 417.491 0.856 30 20 HCED N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)O 548256922 HUVTUOUVSKZSFM-SNVBAGLBSA-N 412.367 0.449 30 20 HCED CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1 553793822 YAUDIGBKYWRVPB-UHFFFAOYSA-N 405.484 0.678 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)C2)c(F)c1 558040523 LIYMUWZITPMJNN-KKSFZXQISA-N 416.453 0.800 30 20 HCED C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 558982220 FIAYPEOWMHQFGO-HOTGVXAUSA-N 412.560 0.623 30 20 HCED C=CCN(CCC#N)C(=O)C(=O)Nc1ccccc1OCC(=O)N1CCOCC1 559950378 ILQNUIIIZGCVAH-UHFFFAOYSA-N 400.435 0.791 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 561704825 USDAOTYAHSPWMT-LJQANCHMSA-N 411.506 0.970 30 20 HCED C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 564070977 INGBVDJQNJWDKV-LZQZEXGQSA-N 411.506 0.574 30 20 HCED Cc1oc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C#N)c1C 569890828 SBZCYPMIYDKVNW-GFCCVEGCSA-N 406.468 0.825 30 20 HCED N#CCCn1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 570489665 LFPVMLGSACIACT-UHFFFAOYSA-N 412.269 1.476 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 572154084 ZBRVTSQYLZNCIQ-GDBMZVCRSA-N 404.492 0.696 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 573353587 JTZWSPREHIQFSK-GFCCVEGCSA-N 409.516 0.394 30 20 HCED COCC(=O)Nc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 576625213 FPHKERWNHNRFST-UHFFFAOYSA-N 416.459 0.738 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2)nc1 587648208 UBUKYUSLCBYSMU-SJORKVTESA-N 410.478 0.308 30 20 HCED N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cn2)c1 588706962 SEEOWFUJONPTAP-UHFFFAOYSA-N 402.374 0.964 30 20 HCED Cn1cnnc1[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 588865033 BYHBLHVBOSFKGR-DLBZAZTESA-N 421.461 0.662 30 20 HCED COC1(CO)CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 588865190 YUAIMYWLSBQZHU-KRWDZBQOSA-N 414.462 0.170 30 20 HCED CCOCCCNC(=O)C1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 588956790 CEIGHUXLJRQFBG-UHFFFAOYSA-N 408.524 0.982 30 20 HCED C[C@H](CNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1)S(N)(=O)=O 615407541 YFSVEWLBHWCYAJ-LLVKDONJSA-N 403.420 0.477 30 20 HCED CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc3ccccc3n2CC#N)CC1 729766157 BIZOTDPAEJXJGF-UHFFFAOYSA-N 411.462 0.554 30 20 HCED C=CCNC(=S)NN=C(C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 729816773 OJSHMXQVIAUJFX-UHFFFAOYSA-N 404.539 0.786 30 20 HCED N#C[C@H]1CN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCN1Cc1ccccc1 733947020 TZGZQKYXTLUJGB-SFHVURJKSA-N 411.487 0.721 30 20 HCED COc1cccc([C@@H](C#N)NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c1OC 737842261 MOMHLVRFHDRRRF-CQSZACIVSA-N 423.429 0.953 30 20 HCED C#CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 740748761 XPHXZMALGRZYJX-UHFFFAOYSA-N 418.519 0.025 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)c1 746566616 VDYLHCZMTFXBAL-UHFFFAOYSA-N 402.432 0.481 30 20 HCED C[C@H](CC(=O)NCC(C)(C)S(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 748745251 PJKLGGUINOMNTA-LLVKDONJSA-N 401.510 0.443 30 20 HCED CCc1ncc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CCOC)c2=O)s1 752193036 DASXFXGPOCRSQO-UHFFFAOYSA-N 418.544 0.701 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1C#N 752409036 VDJWNDYMYSYUBS-ZDUSSCGKSA-N 400.395 0.301 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 758076035 DKVGFJTYEXFYCB-UHFFFAOYSA-N 410.455 0.871 30 20 HCED CC[C@H](O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 764285143 XJJNSAHVJUFAKE-IKBYJFNHSA-N 410.496 0.715 30 20 HCED 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C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 783347180 LCFWHILDXAYBFG-UHFFFAOYSA-N 407.452 0.458 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cn2cc3c(c(C#N)c2=O)CCCC3)C1 793517758 RHUJYAHLPXZNQB-QGZVFWFLSA-N 422.551 0.929 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cncs2)c1=O 794613978 PZAFQOLHTFGKMR-CYBMUJFWSA-N 419.528 0.902 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)NCCOC)c2)CC1 795811952 NBWCGANEKBBCQS-UHFFFAOYSA-N 407.492 0.213 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](CO)[C@@H]2CCOC2)cc1C#N 797392080 LWBKQOVJRHEQIS-OCCSQVGLSA-N 404.423 0.826 30 20 HCED CNC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)c1 797679851 JOVDMQAJMCZMNF-ISLYRVAYSA-N 401.423 0.768 30 20 HCED C=CCN1CC[C@H](OC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1=O 798577571 BSWYTIALAOKPGW-HNNXBMFYSA-N 411.480 0.209 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 799284278 CHMUVVATWSZRAD-RKVPGOIHSA-N 401.463 0.765 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CCn1ncn(C)c1=O 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413.400 0.869 30 20 HCED N#Cc1c(Br)cccc1S(=O)(=O)N[C@@H](CO)CN1CCOCC1 1193730316 ONPFMMDYPJQGDI-LLVKDONJSA-N 404.286 0.292 30 20 HCED C=CCn1c(Cc2noc(C[C@@H]3CCCS(=O)(=O)C3)n2)nnc1N1CCOCC1 1261240939 RAVUVUHLITYKCG-AWEZNQCLSA-N 422.511 0.642 30 20 HCED CO[C@](C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1299510700 NCPJIGONNJTBMY-DDUZABMNSA-N 409.512 0.724 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cnn(CC(F)F)c3)CC2=O)cc1 1320458599 HQEREOTZTWNDJK-GFCCVEGCSA-N 423.401 0.878 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCS(=O)(=O)N2CCCC2)C1 1469729634 NXQVUGHJKHJGGL-KBPBESRZSA-N 415.516 0.470 30 20 HCED Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)n(C)n1 1492724111 LNTAUNSSBNPARE-OAHLLOKOSA-N 407.438 0.744 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)CCOC)CCOC1 1502729739 SENJVDRXPFYZTN-ZYSHUDEJSA-N 409.487 0.446 30 20 HCED CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)F)CCOC1 1547861931 VUJLAZYSZYONAZ-SJKOYZFVSA-N 400.430 0.907 30 20 HCED 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CC(C)[C@H](C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 464313586 USPDQKGGEAXCQG-KRWDZBQOSA-N 406.508 0.964 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 464419995 ORKMVVNNQLFKRB-UHFFFAOYSA-N 402.432 0.814 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(C(=O)N(C)C)cc1 465417997 SAYALTRSLUGBJK-AWEZNQCLSA-N 421.461 0.726 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1C(N)=O 465477795 WIBJDCAMTXZOHS-GFCCVEGCSA-N 416.463 0.355 30 20 HCED C=CCCCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 468389342 FFHZJWPRQFPSIY-CQSZACIVSA-N 411.480 0.453 30 20 HCED C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncnn1C 473918477 HWMGIHQLLOEQHK-ZDUSSCGKSA-N 403.468 0.464 30 20 HCED CCCn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(C)cn2)c1=O 474351635 LWJKITRRFICVNA-MRXNPFEDSA-N 412.515 0.822 30 20 HCED COC(=O)c1cn([C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3cccc(C#N)c3)C2)nn1 475814717 TUJWHDQFAKFABM-WMZOPIPTSA-N 422.445 0.901 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)CC#N)CC2)cc1 481237561 SDKRYIZFNSZTHK-UHFFFAOYSA-N 408.480 0.290 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3cccc(OC)c3F)CCOCC2)C1=O 487733124 QMNKQNFISWLQDD-UHFFFAOYSA-N 419.409 0.933 30 20 HCED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489296824 VAERWJPNXIGVKB-GOEBONIOSA-N 424.498 0.696 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCC(C#N)CC2)cc1S(=O)(=O)NC1CC1 490440470 CMEKPDOBFQHUOU-UHFFFAOYSA-N 406.464 0.837 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1CCN(CC(=O)N2CCOCC2)CC1 497732958 UTNFRZXTVNWXQV-HXUWFJFHSA-N 403.523 0.631 30 20 HCED C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C(=O)NC)C1 508998834 FCPZCRZQFLBRAN-INIZCTEOSA-N 412.498 0.589 30 20 HCED CN(CC(=O)N1CCC(c2nnc(O)o2)CC1)S(=O)(=O)c1ccc(C#N)cc1 509294888 DBLPQUAIKRBVAG-UHFFFAOYSA-N 405.436 0.674 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1 520700518 SMTLRGHNACCHET-UHFFFAOYSA-N 410.478 0.619 30 20 HCED C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 521076505 UYAPOGHLPQEOLY-RDJZCZTQSA-N 409.508 0.651 30 20 HCED N#CCC[C@H](C#N)CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 533377178 NDCVBJSDICZTLL-CQSZACIVSA-N 403.464 0.767 30 20 HCED Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(CCC#N)CCN2CCOCC2)c1C 533446914 FFDCUBMJZYCVAM-UHFFFAOYSA-N 423.539 0.437 30 20 HCED Cc1cc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nn1CCC#N 537514183 OQOWUHVILPCFGL-UHFFFAOYSA-N 411.470 0.756 30 20 HCED CC(=O)NC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 538352882 RPGZIWFFBVZERS-UXHICEINSA-N 417.485 0.371 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1CCN(c2ncccn2)CC1 542824870 LTHCYMQGJLWGGB-UHFFFAOYSA-N 412.502 0.050 30 20 HCED CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 544690719 YYWOEIXIWWWOEY-UHFFFAOYSA-N 420.539 0.847 30 20 HCED COC(=O)c1cn([C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)nn1 545472049 XDECAXHCRYZOJA-SNVBAGLBSA-N 406.380 0.480 30 20 HCED Cc1nsc(N2CCN(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)CC2)c1C#N 555152159 LANOSVCFHAUEMX-CYBMUJFWSA-N 412.541 0.579 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)C1=O 555945924 PBGVSVDZFRMGIZ-NSHDSACASA-N 414.388 0.269 30 20 HCED N#Cc1ccc(NC2CC2)c(NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 557065209 LOCTURVFNUUGTD-UHFFFAOYSA-N 402.436 0.477 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)o1 557823554 IDUNBGOCGAHUPB-AWEZNQCLSA-N 418.479 0.725 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 564284876 ZSTUOZRGEDBSLO-JTQLQIEISA-N 422.371 0.776 30 20 HCED C=C[C@@](C)(O)CC(=O)N1CCC(C(=O)N2CCN(C(=O)C[C@@](C)(O)C=C)CC2)CC1 566945550 HWEYLIBVIKWAPW-YADHBBJMSA-N 421.538 0.550 30 20 HCED CCOC(=O)C(C)(C)n1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cn1 580138041 ZCMCTIOYUZOLHD-UHFFFAOYSA-N 419.463 0.970 30 20 HCED COc1ccc(OC)c(CCNC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 581298982 PQBNFQIHPIAHPE-UHFFFAOYSA-N 414.466 0.631 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 598976058 TWODFRFBKPPUMA-UHFFFAOYSA-N 412.471 0.821 30 20 HCED Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccnn3C)c2=O)cc1 603553007 WIPYYXBMXLHQCJ-UHFFFAOYSA-N 405.483 0.723 30 20 HCED C[C@]1(C2CC2)NC(=O)N(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 603591534 SHEBCLQIJYCSOW-HXUWFJFHSA-N 412.450 0.793 30 20 HCED CN(C)C(=O)CCN1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 609451703 NYAFYTKLCSXJGM-UHFFFAOYSA-N 413.526 0.728 30 20 HCED N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)nc1 609686447 JJDFVEORYBKKEM-LJQANCHMSA-N 413.526 0.191 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)C2=O)cn1 609813299 QWMCGPDINDHFQG-GFCCVEGCSA-N 418.360 0.753 30 20 HCED CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1 615629898 XCOXKFQBVUJOCR-QGZVFWFLSA-N 411.459 0.406 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2OC)C1=O 726043731 RAINYOZFANCAPE-GFCCVEGCSA-N 403.391 0.851 30 20 HCED C=CCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 729762391 BLMUXGHUMHYWOQ-UHFFFAOYSA-N 400.428 0.404 30 20 HCED N#Cc1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1Cl 730408147 WEFWJVHWMVHHEB-NXPNQGMMSA-N 419.846 0.824 30 20 HCED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732467441 XDFWLSVWFPREHJ-ZQCRWCJOSA-N 418.542 0.713 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795307 AYQWFIUOLIFUIQ-UHFFFAOYSA-N 403.508 0.363 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 733807106 RXSDMRWTNKUJSW-KRWDZBQOSA-N 413.478 1.000 30 20 HCED C[C@H](COc1cccc(C#N)c1)OC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 733860863 IMADYZLDSKGTRH-FVQBIDKESA-N 406.460 0.904 30 20 HCED Cn1cc(C(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c(=O)n(C)c1=O 735204580 ZGAALKNVGQVPRF-UHFFFAOYSA-N 416.337 0.093 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1 741367573 FGFOQSGSTJODGU-OAHLLOKOSA-N 403.435 0.859 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cnn(-c2ccccc2F)c1 742294986 NRVQDZZLVZOPJR-MSUUIHNZSA-N 405.411 0.816 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)CCO)cc1 743995510 GUHIATAQFLCESI-JWGURIENSA-N 424.523 0.963 30 20 HCED C#CCN1CCN(C(=O)CN(CCCC)c2c(O)nc(=O)n(CCCC)c2N)CC1 748814883 HFNBPNWNFAMDAS-UHFFFAOYSA-N 418.542 0.715 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(O)C2)cc1 749771218 CFSCDCOMVPTYDK-BAOGPQIGSA-N 408.480 0.421 30 20 HCED Cc1csc([C@@H](C#N)C(=O)COC(=O)CNS(=O)(=O)c2c(C)noc2C)n1 750014950 SWXHLSDGCZLAHQ-NSHDSACASA-N 412.449 0.754 30 20 HCED N#Cc1ccc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)s1 750396349 YOHGIFPUEOPSED-CHWSQXEVSA-N 412.489 0.971 30 20 HCED C#CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)cc2C)c1=O 758070808 YBJPTRVYEODQSK-UHFFFAOYSA-N 416.300 0.863 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758776673 ZBYFHUNQJSIEFM-UONOGXRCSA-N 415.516 0.422 30 20 HCED O=C(O)Cn1cc(C=NNc2ccc(S(=O)(=O)Nc3nncs3)cc2)nn1 768484285 GXQQBGDUAPGEKO-UHFFFAOYSA-N 408.425 0.461 30 20 HCED Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 770868405 IZAPBURITBZALW-OAHLLOKOSA-N 402.432 0.646 30 20 HCED Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 776138756 NCGVXORTGNXBJF-YWMAMYRUSA-N 420.491 0.983 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](O)C2(C)C)cc1 778838941 XMQNWYLZMCVRKI-RNUICKHDSA-N 422.507 0.714 30 20 HCED CCO[C@@H]1C[C@](CO)(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1(C)C 781870510 BUIHRRWDRQMHIG-DNVCBOLYSA-N 409.508 0.798 30 20 HCED CCOc1ccc(C=c2sc(=C(C#N)C#N)n(CC(=O)N(C)C)c2=O)cc1F 782694648 GRALEWWZZZPTKG-UHFFFAOYSA-N 400.435 0.562 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccccc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 783479885 GVDGHYMJAYMXER-LBPRGKRZSA-N 400.403 0.918 30 20 HCED C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 783542186 QBUQWJANJIUORZ-KRWDZBQOSA-N 414.549 0.945 30 20 HCED C=CC[C@H](NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)c1ccncc1 786650480 YEXAIAYELRHVSS-IBGZPJMESA-N 423.521 0.934 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3COC4(CCOCC4)O3)CC2)c1C#N 788105180 QWNHKTHIQYVWQX-OAHLLOKOSA-N 404.471 0.354 30 20 HCED CCOC(=O)[C@@H](COC)N(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 788488621 RCDNVFPUXGUILX-CQSZACIVSA-N 409.464 0.294 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@H]1CCCO1 793760006 HYVWJCKCQHBTMB-HUUCEWRRSA-N 422.279 0.592 30 20 HCED C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)N1CCCCC1 796485835 LYWUUGYREYFKMR-CVEARBPZSA-N 407.515 0.948 30 20 HCED C=CCN1CC[C@H](OC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1=O 798563165 CYYIRZBKJVPWAU-INIZCTEOSA-N 424.475 0.660 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1=O 798634617 RQAQLPYTEPEMLO-KBPBESRZSA-N 402.856 0.309 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 802628058 KKDRVDNMPBPEQE-UHFFFAOYSA-N 405.476 0.664 30 20 HCED CNS(=O)(=O)c1cccc2c1CCN(c1cccc(S(N)(=O)=O)c1C#N)C2 804704752 ARQQLUQNNBWXJL-UHFFFAOYSA-N 406.489 0.676 30 20 HCED CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)NCCNc2ccc(C#N)cn2)CC1 807827260 YJYOFKANYQSIBZ-AWEZNQCLSA-N 416.482 0.855 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C2CCN(C(=O)OCC)CC2)C1=O 807829423 WXZUEOHQWIHPSX-HOCLYGCPSA-N 408.499 0.605 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 809539041 MNKBXLYIWLJRHU-KSZLIROESA-N 400.479 0.565 30 20 HCED N#Cc1cncc(S(=O)(=O)NC(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)c1 813984776 AIIYLNOITAFLJD-UHFFFAOYSA-N 412.387 0.217 30 20 HCED N#CC1(NC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CCCCC1 904516746 JMKLRMXHOFWTHP-UHFFFAOYSA-N 412.454 0.622 30 20 HCED CN(C(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(C)(C)C#N 919183078 SIGHBWLTXCCRBG-HOCLYGCPSA-N 405.426 0.634 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CN1CCC(=O)NC1=O 1006191624 BQVKLQPAPGSYNE-JSEZXORMSA-N 404.467 0.158 30 20 HCED Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)ccc1C#N 1212136177 JDBZGVDHYHEIQD-OAHLLOKOSA-N 414.505 0.996 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C3(O)CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1296472386 RFRNRQATSPRDFN-UHFFFAOYSA-N 404.471 0.231 30 20 HCED 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C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)[C@H]1CC[C@@H](C(=O)OC)C1)C2 1841052882 AEXZVUJHTMCTLN-YVDRWBGASA-N 403.479 0.638 30 20 HCED O=C(/C=C/C(=O)N1CC2(CCCN2C(=O)[C@@H](O)N2CCOCC2)C1)c1cccs1 1844295157 GSVIQSRZYYMNPD-SHCNBLLESA-N 419.503 0.341 30 20 HCED CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)C1 1846194751 MCPPSBLWHOGOHF-UHFFFAOYSA-N 417.462 0.845 30 20 HCED C=C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)CCC(N)=O)C2 1847082262 PSDRDFCHSCPQLR-SPLOXXLWSA-N 420.510 0.925 30 20 HCED CCN(CC(=O)Nc1ccccc1SCC#N)CC(=O)N[C@@H]1CCS(=O)(=O)C1 16586344 UXSYOTSGJPZCGT-CQSZACIVSA-N 424.548 0.866 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)Nc1cccc(C#Cc3ccccn3)c1)c(=O)n2C 43483857 CSUOBZHEKDCNGJ-UHFFFAOYSA-N 414.425 0.867 30 20 HCED COc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1OCC(N)=O 44641678 ZXWDLBABYKPTTP-UHFFFAOYSA-N 417.443 0.984 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)Cc2cccc(F)c2)cc1 109789730 KQDVWKJSVLDDGD-UHFFFAOYSA-N 417.462 0.826 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCN(C(=O)c2ccc(C)s2)CC1 409578858 CCBONYXMGJWVSJ-UHFFFAOYSA-N 400.526 0.921 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(OCC)cc2)C1=O 410114352 DOQPBCHZOGUKIY-QGZVFWFLSA-N 409.508 0.999 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 429609948 JKZNYENSMJUFIV-UHFFFAOYSA-N 409.447 0.837 30 20 HCED C=CCNc1ncc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 433092210 WPUBUMGEZYGSSS-UHFFFAOYSA-N 411.465 1.358 30 20 HCED Cc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(F)F)nn1CCC#N 439358709 MITGHVNYPURLTK-GOEBONIOSA-N 405.405 1.397 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2SCCC(N)=O)C1=O 440269413 IDPQZVULLGAGFD-AWEZNQCLSA-N 404.492 0.838 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 441930251 RTVCTZFNIKEBQB-AWEZNQCLSA-N 419.528 0.273 30 20 HCED COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cc(C#N)ccc1OC 442244682 URKOFSLIICRVCH-SFHVURJKSA-N 424.457 0.995 30 20 HCED COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443023634 MDUYXQJYLWFUTG-GFCCVEGCSA-N 417.465 0.681 30 20 HCED N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2nnn(-c3ccccc3)c2=O)CC1 444407142 LPULWMVDTLGVLB-LJQANCHMSA-N 403.446 0.838 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)c1 446091991 TUUJCUZTICGAGK-CAMMJAKZSA-N 420.473 0.592 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCOCC3(CCOCC3)C2)cn1 460651343 BUHFBRYLTZLQIP-UHFFFAOYSA-N 410.434 0.733 30 20 HCED N#Cc1ccc(OC2CN(C(=O)NCCCCN3CCN(CCO)CC3)C2)cc1 462007017 RAAALPIGBPXMKM-UHFFFAOYSA-N 401.511 0.721 30 20 HCED CNC(=O)[C@@H](NC(=O)CN1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 464859958 YOEKXZUDJJRQBG-BEFAXECRSA-N 407.478 0.462 30 20 HCED N#C[C@@H]1N(C(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCC[C@@]12CCCCO2 468636757 DSPWDEKTHKZXNW-FKOLPVOWSA-N 401.463 0.993 30 20 HCED CN(C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cn1 471125595 UDGZPWYRSMNIPT-UHFFFAOYSA-N 421.439 0.142 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1CC=C 477217982 FBJDWINLWWMEHB-UHFFFAOYSA-N 414.418 0.948 30 20 HCED N#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC1 481133290 ACQLDJOFONJZQA-UHFFFAOYSA-N 422.482 0.953 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cc(C)no2)CC1 485029543 BWKYDACGTGSJDV-IRXDYDNUSA-N 422.505 0.525 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2=O)cc1 486918464 AJHAFDOKKHWKFU-SFHVURJKSA-N 421.461 0.956 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCCCOC[C@@H]3CCCO3)n2)cc1 490749417 BQUSUSLCYAAWCO-KRWDZBQOSA-N 412.450 0.838 30 20 HCED CCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 502230712 LBABHEYERXCLDJ-RTBURBONSA-N 400.479 0.513 30 20 HCED Cn1cc(-c2nc([C@@H]3COCCN3S(=O)(=O)c3ccc(C#N)nc3)no2)cn1 504007697 HBACETUPLVXANA-AWEZNQCLSA-N 401.408 0.499 30 20 HCED C=CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508951142 LZERUSKBFAFNRV-HOTGVXAUSA-N 411.528 0.599 30 20 HCED CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 511370305 RVODPMFIKLALEL-UHFFFAOYSA-N 406.446 0.942 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccnn2CCCOC)c1=O 515075826 SOLIDHUZLFGZRO-UHFFFAOYSA-N 415.519 0.358 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 516915441 JZYRDWSUSLHOCX-UHFFFAOYSA-N 400.460 0.611 30 20 HCED C=CCN(CCOC)C(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 516919603 MMDFAAUEKZCWPX-OALUTQOASA-N 414.506 0.363 30 20 HCED N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1 535130307 RJUUZZXTXABXRI-UHFFFAOYSA-N 407.477 0.112 30 20 HCED C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)n1cnc(C#N)n1 539503001 FHQTZJIVFXZQSF-LBPRGKRZSA-N 419.423 0.152 30 20 HCED N#CCNC(=O)CNC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 554454627 SKJSNYGGRKPGTQ-UHFFFAOYSA-N 401.448 0.926 30 20 HCED Cc1nsc(N2CCN(C(=O)C(=O)Nc3cnn(-c4ncccn4)c3)CC2)c1C#N 564258971 BBMNIFDXNSGJIB-UHFFFAOYSA-N 423.462 0.586 30 20 HCED CNCCCc1[nH]nc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)c1C#N 569167603 XNTCENMSAFRODP-KRWDZBQOSA-N 416.507 1.225 30 20 HCED CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 571706545 BXFXRZBTRWBMGN-SFHVURJKSA-N 420.473 0.947 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCCO[C@@H]3CCOC3)CC2)cc1 575211657 WUOWWIMEPFZRMO-LJQANCHMSA-N 400.479 0.514 30 20 HCED C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1=CCN(C)CC1 575898830 GMXFAKLDCRMZKU-KXBFYZLASA-N 409.490 0.936 30 20 HCED Cc1ccc(NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)c(OCC(=O)N(C)C)c1 576198643 ZQZNPBFLNPEFPO-UHFFFAOYSA-N 412.450 1.458 30 20 HCED C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)C 578018667 WXARUFVWASCBTF-RBUKOAKNSA-N 420.554 0.651 30 20 HCED COc1ccc(OC)c([C@@H]2CCCN2C(=O)CN(CC#N)S(=O)(=O)N(C)C)c1 579530777 KSKLODFOVRKGCK-INIZCTEOSA-N 410.496 0.999 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC[C@@H](N4CCCC4=O)C3)CC2)nc1 587639738 DHXBSWWPELDQOF-GOSISDBHSA-N 424.505 0.652 30 20 HCED C[C@H]1CN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@]2(CCOC2)O1 587659678 WQWYIEOVUJEVLE-YCRPNKLZSA-N 413.478 0.445 30 20 HCED CCC1(CO)CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 588868399 LGQBWPKRDYFSSH-SFHVURJKSA-N 412.490 0.786 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CCO[C@H](c4ccco4)C3)C2=O)cc1 588868411 LQXXJJNYZFNINT-MJGOQNOKSA-N 422.441 0.968 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccnn1C 589211638 CQLIOTVBZYLSLT-KRWDZBQOSA-N 409.494 0.891 30 20 HCED C=CCN(C(=O)CN1CCN(CC)C(=O)C1=O)[C@H](C)c1cccc(-n2cnnn2)c1 596103579 DRJQWVVOSBOALO-OAHLLOKOSA-N 411.466 0.429 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)c1 602251417 BHFZVPRMFKJZAR-KRWDZBQOSA-N 409.398 0.633 30 20 HCED CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 609093808 ASNZPFGUJAWTEZ-SJLPKXTDSA-N 418.519 0.679 30 20 HCED COCCNS(=O)(=O)c1ccc(CN[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 609676592 RKJQBBDMECXXHD-SFHVURJKSA-N 402.476 0.799 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H](C(F)(F)F)C3)n2)cc1 610531523 VTFXSEXPUWTYOJ-CYBMUJFWSA-N 408.340 0.926 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSCC(=O)N(C)C2CCCCC2)CC1 728534000 WBHWVHGBGUXDCK-UHFFFAOYSA-N 408.568 0.404 30 20 HCED C[C@]1(c2ccc(C(N)=O)cc2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 728794790 OEUXMIXYZXDQFE-OAQYLSRUSA-N 405.414 0.741 30 20 HCED O=S1(=O)CCC(=NNC(=S)NCCN2CCOCC2)c2cc(F)c(F)cc21 731924747 OLGQQKDHOUCIBP-UHFFFAOYSA-N 418.491 0.643 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC1 741683737 VWDLQYRCBDSBDJ-UHFFFAOYSA-N 418.519 0.042 30 20 HCED Cn1cnc2c1c(=O)n(CC(=O)OCc1nnc(-c3cccc(C#N)c3)o1)c(=O)n2C 744565768 WWMYGXZNYYWTEG-UHFFFAOYSA-N 421.373 0.099 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@](C)(O)C(F)(F)F)CC2)o1 744647884 CPBAQCRBBWEIDY-HNNXBMFYSA-N 404.345 0.750 30 20 HCED COc1ccc([C@H](CNC(=O)C(=O)Nc2cnn(CC#N)c2)N2CCOCC2)cc1 746343258 ABPHXNXMFFLIPC-SFHVURJKSA-N 412.450 0.543 30 20 HCED CNC(=O)[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)c1ccccc1 750962233 NVKDRCSZBQEHLQ-AVRDEDQJSA-N 419.441 0.929 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccccc2C(=O)N2CCOCC2)C1=O 751072699 DDPWFOUAVVRAPT-UHFFFAOYSA-N 401.375 0.041 30 20 HCED N#Cc1cccc(CNC(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 751619198 UUKHYVNBSQOVTN-UHFFFAOYSA-N 400.416 0.215 30 20 HCED CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 754379273 TVSCPGCLIBHDPY-LBPRGKRZSA-N 411.484 0.850 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 764294565 JKQRASIWEJMEME-AWEZNQCLSA-N 422.463 0.095 30 20 HCED C=C(Cl)CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 768722052 QBAQJPYDQKSMQQ-UHFFFAOYSA-N 401.250 0.965 30 20 HCED CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncnc1N 769449552 HSHPLORUGJKJGQ-CQSZACIVSA-N 402.480 0.973 30 20 HCED COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2CCCN(CC#N)C2)C1=O 771584694 FOAUCTOGDZOKLL-VFNWGFHPSA-N 413.478 0.814 30 20 HCED COC(=O)Cn1cc(C(C)=NNc2ncnc3c2c(Br)nn3C)nn1 772842830 RFCBWROKGMRIEN-UHFFFAOYSA-N 408.220 0.726 30 20 HCED C#C[C@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)[C@@H]1CCCO1 773563235 SYZNMLHAFXYMQZ-IRXDYDNUSA-N 408.499 0.984 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)CC=C)cc1)[C@H]1CCCO1 773798243 PBYILYULLRPCPN-IAGOWNOFSA-N 405.476 0.729 30 20 HCED CNC(=O)[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 782086786 COCLKLZTJYMSLM-OAHLLOKOSA-N 422.507 0.259 30 20 HCED CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)NCc2ccc(C#N)cn2)CC1 782130525 XIYKWVMPTAOLRW-UHFFFAOYSA-N 420.473 0.872 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 784708867 DLJQSOOFFSDLIZ-CVEARBPZSA-N 402.451 0.501 30 20 HCED C#C[C@@H](C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 784849974 LLZXEGMNDITYDF-CQSZACIVSA-N 423.491 0.571 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCCCC34OCCO4)n2)cc1 785057415 GDBLVDWEUAPEHT-MRXNPFEDSA-N 410.434 0.938 30 20 HCED CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNc2ccc(C(N)=O)nn2)C1 794517611 QGBLOEBLXJANIV-LBPRGKRZSA-N 405.459 0.737 30 20 HCED CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)c1 799927942 LMYLZZLSSLYIFO-MRXNPFEDSA-N 409.512 0.483 30 20 HCED N#Cc1ccc(NCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)nc1 915777308 FPSBKZDQRHVCIN-UHFFFAOYSA-N 407.434 0.056 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)NC(C)(C)C)c1 918957729 ZXOYEZZSKHXCJS-UHFFFAOYSA-N 411.480 0.339 30 20 HCED CC1(C)NC(=O)N(CCCOC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 918987270 ZJVSEFLSVAGEFU-UHFFFAOYSA-N 422.463 0.756 30 20 HCED C=CCCn1cc(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1 1003707736 JBUXOQORMMCTKQ-IFCWYPFCSA-N 402.499 0.435 30 20 HCED CN(C1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1)S(C)(=O)=O 1319583731 JLKTZTDANWPWQC-OAHLLOKOSA-N 417.491 0.867 30 20 HCED CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCNC(=O)c1cc[nH]n1 1359514295 CITUWFGTSAFCSE-HNNXBMFYSA-N 411.514 0.905 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1517527611 LLOAMSDKIPAYMS-UHFFFAOYSA-N 416.507 0.824 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)C1 1557187452 MJRFZWRQRXZHNK-LAUBAEHRSA-N 400.479 0.637 30 20 HCED CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)ccc1OC 1585958341 LQWAWWAPIHQWAF-HUUCEWRRSA-N 410.496 0.908 30 20 HCED CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)C1 1596068083 WELABZFZBUXFAK-DOXZYTNZSA-N 403.462 0.930 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 1623181480 WNIZVSHOIIXBGU-SNVBAGLBSA-N 402.270 0.979 30 20 HCED CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1729396692 JRTMZMHCBKZFBG-OAHLLOKOSA-N 417.495 0.286 30 20 HCED CC(C)NC(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761249032 IIBVVZRQKKZHAS-RDJZCZTQSA-N 401.515 0.873 30 20 HCED COCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769787928 PSILAXSYWGVSPQ-SFHVURJKSA-N 413.530 0.433 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1778969126 CLTGZNWCARTMGF-NPPFBWRTSA-N 416.522 0.875 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1778971088 IPBWCCZEIMJOCY-GNCZZYFXSA-N 406.527 0.861 30 20 HCED C[C@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)n1ccnc1 1779061392 WPXXZGVCJRJVNX-XMSQKQJNSA-N 414.506 0.973 30 20 HCED CN1CCC(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)CC1 1779099376 VPBQZQYMFWEOFM-NZLUSWSZSA-N 422.526 0.687 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CCC(=O)N2C)C1 1780787006 BJICGGYCEFSUEZ-KYFSNAEOSA-N 405.495 0.159 30 20 HCED C[C@H](C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C#N)c[nH]1)C2)n1ccnn1 1781548555 HBMIRJSDMKLTDB-WIBUTAKZSA-N 411.466 0.867 30 20 HCED CC(=O)N/C(=C\c1ccco1)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](C)S)CCO2 1781866851 NOPSOEMIVXIGMF-GJMQRNRVSA-N 407.492 0.905 30 20 HCED Cc1nnc(CCC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)C#CC(=O)O)C2)s1 1782011274 SQSUCARQEVBMTN-AUUYWEPGSA-N 420.491 0.381 30 20 HCED C[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1782670896 QZXGJRFIBQPCBR-BTYIYWSLSA-N 411.462 0.334 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1)CCO2 1783046521 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C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4ccnn4c3)CCO2)C1 1839571403 SAWRBMIHJLRNSH-KUHUBIRLSA-N 404.492 0.723 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)C1)C(F)(F)F 1839891146 NZIRLQRUHLRCAO-CXAGYDPISA-N 419.400 0.088 30 20 HCED CSCC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1840195218 RZTIYVHUBMHDIP-HDMKZQKVSA-N 420.597 0.511 30 20 HCED N#Cc1ccc(C(=O)N2CC3(CCCN3C(=O)CN(CCO)CCO)C2)c(Cl)c1 1846034374 KOQKVYHCKZRLLW-UHFFFAOYSA-N 420.897 0.315 30 20 HCED CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 433861561 CMWUAZYFRHEYJC-CYBMUJFWSA-N 418.313 0.634 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)N2CCOCC2)C(C)C)c1 438410044 RJJWFFCMBYKLFD-QGZVFWFLSA-N 409.508 0.764 30 20 HCED C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 440274056 GMXRWVIMBOTNOB-LLVKDONJSA-N 400.826 1.025 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2cccs2)cn1 441013512 NOXOYUPNORDGAZ-HNNXBMFYSA-N 421.442 0.839 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 441134575 JYRRQSLAOSKLGY-HKUYNNGSSA-N 424.505 1.273 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)cc1 442307921 TXALCNWJLSWFOB-UHFFFAOYSA-N 415.494 0.210 30 20 HCED N#CCCN(CCC#N)C(=O)CNc1cccc(S(=O)(=O)N2CCC(O)CC2)c1 442878484 ZAANFNAHKOPLCY-UHFFFAOYSA-N 419.507 0.900 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)N2CCN(Cc3cn4ccccc4n3)CC2)n1 444507256 QUOUWTLIJBJRDM-UHFFFAOYSA-N 406.450 0.727 30 20 HCED CCNC(=O)Nc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 446530086 LMSPIMOLJJLYAR-UHFFFAOYSA-N 416.482 0.841 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 446556122 NNWITTNMTFROSN-AWEZNQCLSA-N 409.464 0.558 30 20 HCED Cc1ccn(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(=O)c1C#N 460448103 GNBOPDVPTBRIOP-IBGZPJMESA-N 422.441 0.539 30 20 HCED N#CCN(CC#N)C(=O)[C@@H]1CC[C@H](C(=O)N(CC#N)CC#N)N1Cc1ccccc1 463864662 JITCINSVIAAHLN-KDURUIRLSA-N 403.446 0.771 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)c1C#N 472248802 YIHBVXPCDJVTHH-LBTBCDHLSA-N 408.462 0.056 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472887839 LDMGCICRGPPDCJ-UHFFFAOYSA-N 407.434 0.768 30 20 HCED N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c1 476047271 FPEJIUQMMKRRMC-IAGOWNOFSA-N 419.507 0.081 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN([C@@H](C(=O)O)C(C)C)C2=O)cc1 479007777 UOORSVSRSUSVLG-JKSUJKDBSA-N 423.491 0.591 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481506064 HKAJILYYIJNCOE-HNNXBMFYSA-N 406.508 0.942 30 20 HCED COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCOCC1 481749273 LKXJHVWDNCEZDD-CXAGYDPISA-N 423.491 0.557 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 482204245 GRKYDRRRVKWJBL-DOTOQJQBSA-N 420.535 0.842 30 20 HCED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C1CC1 482561354 OMRLSPDXYOJKOB-UHFFFAOYSA-N 414.512 0.834 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ncnn2CC)cc1 485014381 FYHCNVVQQDKCIX-UHFFFAOYSA-N 406.468 0.359 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)C2=O)cc1 487181260 OBFLPTCABQKWKZ-QZTJIDSGSA-N 410.478 0.905 30 20 HCED C=CCOC[C@H](NC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1)C(=O)OC 487610759 ZRHUQUZFDKQQME-INIZCTEOSA-N 411.476 0.870 30 20 HCED COC[C@](C)(CC(=O)OC)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 487994509 YJXGAXMQAOMQAH-QRWLVFNGSA-N 416.434 0.848 30 20 HCED CCOC(=O)CNC(=O)[C@H]1COCCN1CC(=O)Nc1cc(Cl)ccc1C#N 497568701 XMSJEMTYAMFMSC-OAHLLOKOSA-N 408.842 0.530 30 20 HCED CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 504584043 FYIXWWGPIQXQBY-SFHVURJKSA-N 408.462 0.950 30 20 HCED COCc1c(Br)cccc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508367693 YNHRJKJZNNCPCD-UHFFFAOYSA-N 407.228 0.814 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)n1 508676015 IDYYONLZJCCGOI-UHFFFAOYSA-N 400.361 0.681 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1=O 524951114 YPMAUXPUEVOSDH-DOTOQJQBSA-N 414.462 0.369 30 20 HCED Cc1ccc(C(=O)N2CCC(N(C)CCCO)CC2)cc1S(=O)(=O)NCC#N 534700493 NGHJVLFNRHVINH-UHFFFAOYSA-N 408.524 0.716 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1 542285784 YHSMGTHHOCPOCU-JQFCIGGWSA-N 407.492 0.661 30 20 HCED CC[C@@H](CO)N1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 542998846 WFSCGHBFCNTKCG-HNNXBMFYSA-N 414.441 0.737 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2-n2nccc2C)CC1 544160556 XEANTHPARXCKTR-UHFFFAOYSA-N 410.478 0.566 30 20 HCED COC(=O)c1cn(C2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3F)CC2)nn1 544754984 GBEGAMHMJQQJAO-UHFFFAOYSA-N 400.370 0.878 30 20 HCED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CC(N)=O 550106125 BJXOAJZHCNSLFI-UHFFFAOYSA-N 414.443 0.422 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1cccs1)N(C)C 550378664 BCRGBSQLHGOXFT-AWEZNQCLSA-N 403.512 0.735 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(N)(=O)=O)cc3)C2)nc1 551065338 CMPIZZAIYPMHPS-CQSZACIVSA-N 415.431 0.219 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)S(C)(=O)=O 554153923 CNMUPDGWRRIHJF-GXTWGEPZSA-N 410.471 0.332 30 20 HCED CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)C1 554321538 BVJCSNNWICHKGP-SWLSCSKDSA-N 414.509 0.918 30 20 HCED CS(=O)(=O)Nc1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 562054612 QGFKTAWTLKZTJM-UHFFFAOYSA-N 408.461 0.847 30 20 HCED C[C@H](Cn1cncn1)NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 565063182 VVQOURBOTZZTSO-CYBMUJFWSA-N 424.421 0.251 30 20 HCED C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 585719040 HBPIVPZYSHDSFZ-MRXNPFEDSA-N 400.479 0.765 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 727008999 ZGAXXJHSXKMTRJ-UHFFFAOYSA-N 416.415 0.117 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2ccc(NS(=O)(=O)CCC)cc2)CC1 728531118 CGQWVOLIXMGLII-UHFFFAOYSA-N 406.508 0.346 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)nc1 729009509 XENKMFSFYMHVRP-UHFFFAOYSA-N 413.434 0.917 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 729256817 JBKWUIDGULMLKS-UHFFFAOYSA-N 405.882 0.937 30 20 HCED Cc1cccc(-n2nnc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)c2C)c1 732910782 VAAYHCSORNDOJY-HNNXBMFYSA-N 401.448 0.464 30 20 HCED CCCNC(=O)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733832494 ZQIINRQEBIWJEE-CQSZACIVSA-N 415.406 0.542 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 744873658 FMERQNSOGDMYJY-LBPRGKRZSA-N 416.521 0.989 30 20 HCED NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746112647 SJWLMLGVNFATMU-PMIVHWTLSA-N 411.462 0.274 30 20 HCED CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748752035 QENZFAAIPVAPSA-JSGCOSHPSA-N 424.548 0.931 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(CS(C)(=O)=O)CC2)C1 758565728 UYWLBDRIKNTUND-QWHCGFSZSA-N 400.501 0.869 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)CC1 758989582 JSTDSRCMLIYBEP-HXUWFJFHSA-N 417.510 0.242 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C#Cc2ccc3c(c2)OCO3)c1 762199227 HCUDQBMDUBHORR-UHFFFAOYSA-N 415.427 0.430 30 20 HCED CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 764891460 UGNDITPZAUMUBE-DZGCQCFKSA-N 408.480 0.962 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(C[C@@H]3CCOC3)c2=O)cn1 772311048 JQAGFURJSZPCJQ-AWEZNQCLSA-N 413.503 0.273 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC(=O)N3C)c(=O)n1C 774531070 SFJAZQQRKSRJJM-UHFFFAOYSA-N 410.499 0.385 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 783458836 HWDHVBLEACINAJ-UHFFFAOYSA-N 417.418 0.904 30 20 HCED C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 784276558 VHFYLOKAZUVRFH-LBPRGKRZSA-N 416.433 0.192 30 20 HCED C#CCNC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 785392527 CCYVOCCJQMXRNQ-UHFFFAOYSA-N 402.428 0.777 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1 789833615 HUTJMSYCRQETTM-MJGOQNOKSA-N 403.454 0.700 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@H](C)COC)sc(=Cc2ccsc2Cl)c1=O 790428180 RJICFXMPYHZSIQ-LLVKDONJSA-N 421.931 0.912 30 20 HCED N#CC1(c2ccccn2)CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 799906220 HQGUFWSSNDAFGX-UHFFFAOYSA-N 407.496 0.310 30 20 HCED C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCF 800598726 VUPOPYXCKJXQFF-ZDUSSCGKSA-N 412.487 0.876 30 20 HCED COC(=O)N1CCC[C@H](NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 804010716 UEMALAQUCCGAFM-ZWKOTPCHSA-N 413.478 0.570 30 20 HCED Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 807924652 QGPJEUCKFSNNLU-ZMESVYRVSA-N 422.445 0.559 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C)[C@@H]1CCCO1 809308820 KKMUSPXPOMUKSS-SNRMKQJTSA-N 413.474 0.807 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCc2cn[nH]c2)c1 810446648 WRVZGSHPEUIEQY-XQNSMLJCSA-N 418.479 0.520 30 20 HCED N#CCOc1cc(F)ccc1NC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 815774560 DLCOMMWBTFMENW-UHFFFAOYSA-N 419.457 0.775 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)CN1CCCC1 816625971 RCORQVHEGKOTMC-WBVHZDCISA-N 422.551 0.857 30 20 HCED Cc1nc(O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 926014354 AYJYRGVHYQIYIA-ZIAGYGMSSA-N 402.451 0.864 30 20 HCED N#Cc1cn(CC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)c(=O)nc1O 929073006 KYCOYMOQDXJYLX-UHFFFAOYSA-N 404.430 0.845 30 20 HCED Cn1cnc([C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 993532791 GFSCARXADZMGAZ-XDKCKUNGSA-N 420.473 0.768 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)[C@H](C#N)c2nccn2Cc2ccccc2)n(C)c1=O 1122624797 MYFOUMHCEWZZNT-HNNXBMFYSA-N 417.429 0.555 30 20 HCED C=CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cncn1C 1131031818 YNQPNCRPZMKPLM-GXAQHZSOSA-N 401.511 0.421 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1 1161895153 XKBDECACVZZUTC-ZWKOTPCHSA-N 412.471 0.564 30 20 HCED CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)CCOC1 1314075839 VZWJWDYLPKLMKZ-KUHUBIRLSA-N 416.486 0.822 30 20 HCED CCS(=O)(=O)c1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1320830689 LGXFHGMYUPMNRA-WUKNDPDISA-N 406.464 0.806 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)CCO1 1325870799 KJXRBXWSDOFBEK-HUUCEWRRSA-N 411.484 0.960 30 20 HCED Cc1nnsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1510500443 TYBWESNSCAWNAF-QMTHXVAHSA-N 414.492 0.539 30 20 HCED C[C@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1541879011 MZKPRMLSSLAVET-OXQOHEQNSA-N 419.505 0.924 30 20 HCED Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCOCC2)o1 1542344345 QNVZDZUAYVGHCH-CQSZACIVSA-N 400.439 0.857 30 20 HCED CCOc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1616510530 URTLFUXYKWMBBE-MRXNPFEDSA-N 411.466 0.971 30 20 HCED COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1=O 1622465808 YXDAJUGTZSZXOI-CQSZACIVSA-N 414.915 0.669 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1631646062 YNTFOZROZCHQCP-QWHCGFSZSA-N 405.455 0.972 30 20 HCED N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1 1634489721 LCBGXXKXWYMLHI-QQFBHYJXSA-N 407.496 0.675 30 20 HCED COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1640451160 VRIPMRNBITYKBG-FZMZJTMJSA-N 423.413 0.623 30 20 HCED CCn1nccc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1682863507 OAMNYGSFISKMSE-UHFFFAOYSA-N 402.480 0.991 30 20 HCED COCCN(C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1712419944 URQYSQXGAOMLRK-QGZVFWFLSA-N 424.571 0.888 30 20 HCED N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cc[nH]n2)C1 1712875985 KGYZPUOSYFONGQ-LJQANCHMSA-N 409.429 0.859 30 20 HCED CC(C)NS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723661870 FFIADJWHWZUUGY-KRWDZBQOSA-N 421.571 0.735 30 20 HCED CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1729658999 LJNUNDMDKOIMQZ-PGRDOPGGSA-N 423.521 0.846 30 20 HCED C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1740800473 PDTJRCWGPADFHM-UHFFFAOYSA-N 416.935 0.738 30 20 HCED CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1763201835 VCBZJJXGFWOWOU-UTKZUKDTSA-N 409.494 0.598 30 20 HCED O=C(C#Cc1ccccc1)N1CCO[C@]2(CCN(C(=O)COC(=O)C(F)(F)F)C2)C1 1778895683 JFFOFOOJUJQFAG-IBGZPJMESA-N 424.375 0.974 30 20 HCED CC(=O)OC[C@@H](OC(C)=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1779077004 WFOIGGLPQLVQPY-OXQOHEQNSA-N 421.450 0.005 30 20 HCED Cc1nn[nH]c1C(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779104816 ONRCDLZCEKYYGE-PVFIFDBCSA-N 406.443 0.086 30 20 HCED Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)C(C)(C)NCCC#N)CCO3)c(O)n1 1780270742 SJPKZRGKUPENEP-OAQYLSRUSA-N 415.494 0.821 30 20 HCED N#Cc1ccc(F)c(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c1 1781104917 VPLCXDUKVXTINW-DYESRHJHSA-N 413.405 0.913 30 20 HCED C[C@H](NC=O)C(=O)N1CCO[C@@]2(CCN(C(=O)Cc3ccc(F)c(C#N)c3)C2)C1 1781299114 CXEPGFJUHPKQOQ-VBKZILBWSA-N 402.426 0.204 30 20 HCED 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Cn1ccc(=O)cc1C(=O)N1CCC(OC2CCN(C(=O)C#CC(=O)O)CC2)CC1 1838529662 UJFMNXFQHYPVPD-UHFFFAOYSA-N 415.446 0.086 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccncn3)C2)C1 1839224284 HDSQOPFLMLTOLQ-HNAYVOBHSA-N 405.455 0.348 30 20 HCED N#CCc1ccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cncnc4)C3)C2)cc1 1839362220 FCIWNFWHIWVPOG-JOCHJYFZSA-N 421.457 0.926 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3[C@@H]4C=CS[C@@H]34)CCO2)C1 1839695122 ZGWTZKCSHFJGCQ-JZBZHOAESA-N 408.520 0.909 30 20 HCED CCC(=O)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1839827840 OZRINBOQLSFREQ-JOCHJYFZSA-N 413.474 0.926 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840048053 PDWUECKGMVGMCJ-ISIBIEBGSA-N 412.552 0.965 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H]1CCNC(=O)C1)CCO2 1840227096 FRQXTLYZTUUPHM-PGRDOPGGSA-N 419.522 0.737 30 20 HCED Cc1cnn([C@@H](C)C(=O)N2CCO[C@@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1840403959 WMGJIQOFYUXMSN-JXFKEZNVSA-N 401.467 0.513 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@]3(CN(C(=O)CCc4cnccn4)CCO3)C2)c1 1840457490 CAMSFAMLFMFDCR-NRFANRHFSA-N 424.461 0.379 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840820884 ORZCUWWQVRQQOQ-QFIPXVFZSA-N 411.458 0.807 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)CCCn3ccnc3C)C2)C1 1840844829 OBFCBVKWCSFMNT-OAQYLSRUSA-N 402.495 0.842 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)CNC(=O)OC(C)(C)C)C2 1841055651 PBEUEUTZYYMRFL-FPLPWBNLSA-N 406.483 0.573 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)C1 1843869848 UEWFSOFUUSSFDX-HXUWFJFHSA-N 419.478 0.925 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)C1 1845248457 MEEIKEXHAHFLPX-RDJZCZTQSA-N 418.494 0.195 30 20 HCED CCOc1c(C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)cnc2c1cnn2C 1846195377 JWHCREMIGFUQKZ-UHFFFAOYSA-N 411.418 0.272 30 20 HCED CCCCN(C(=O)CN1CCN(c2cc(C#N)ccn2)CC1)[C@@H]1CCS(=O)(=O)C1 29447266 QWCPMPWYHRECDP-GOSISDBHSA-N 419.551 0.891 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN(CCC(N)=O)Cc3ccccc3)CC2)o1 29710156 XDJNARXUGCOSQD-UHFFFAOYSA-N 410.478 0.881 30 20 HCED N#Cc1ccccc1N1CCCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 46086350 ZWIOEBZMAMZUOG-MRXNPFEDSA-N 419.507 0.083 30 20 HCED CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCCn2cnc(C#N)n2)cc1 432194262 NYDWDRVFUGREBD-UHFFFAOYSA-N 412.497 0.063 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)c1 432301985 KZGFIHATIGXKOL-HNNXBMFYSA-N 404.434 0.967 30 20 HCED CCNC(=O)N1CCN(c2ccc(C#N)c(N3CCN(C(=O)NCC)CC3)n2)CC1 436272494 GOYUIWLICACWMR-UHFFFAOYSA-N 414.514 0.656 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 445772945 JYIYBUJRYYDFCP-LBPRGKRZSA-N 414.853 1.463 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1ccnn1Cc1ccccc1 446530575 IKJFCYAVNVUOJY-UHFFFAOYSA-N 410.478 0.944 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC#N)CC3)CC2)c1 465136755 COVXPMPVSDXMSD-UHFFFAOYSA-N 418.519 0.958 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 465501011 HLFNQZQBHXYSHR-ZDUSSCGKSA-N 421.504 0.651 30 20 HCED CN(C)CCCN(CCC#N)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 469066766 SFSGYHSWFFHXOS-HNNXBMFYSA-N 421.523 0.381 30 20 HCED N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 469113817 ULZQGKKWFGTLJT-UHFFFAOYSA-N 408.437 0.991 30 20 HCED CCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472083013 CEWCCRMDNIKGPG-UHFFFAOYSA-N 423.543 0.246 30 20 HCED COC(=O)c1ccsc1N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C1=O 474183803 JEWGUOHFTVCDKF-NSHDSACASA-N 403.420 0.021 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)CC(N)=O)nnc12 476840391 AUBGFYTVLZOOGN-UHFFFAOYSA-N 400.464 0.656 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(CS(N)(=O)=O)c1 481491633 MBMGKXLOVNIEEY-LBPRGKRZSA-N 422.488 0.652 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)C1=O 501438115 NNXADMQLHVYYKA-CYBMUJFWSA-N 406.826 0.855 30 20 HCED CC1(C)[C@H](NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]2CCO[C@H]21 503733759 FAHZUNJFHPAETI-BRSBDYLESA-N 410.474 0.705 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccn(Cc4ccncc4)n3)CC2)nc1 504120563 QCPIYSOFCMVWOA-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)CC2)c(F)c1 506313519 WVLUNFKMNCSBEN-HNNXBMFYSA-N 423.514 0.945 30 20 HCED C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](NC(C)=O)C1 506947610 ZARQXXZOXJBULP-AWEZNQCLSA-N 421.479 0.625 30 20 HCED COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NCC(=O)NCC#N 508994595 FCSQYBKKXZHPMG-UHFFFAOYSA-N 415.175 0.069 30 20 HCED C[C@]1(C[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)NC(=O)NC1=O 510484393 FYDBCDZRLVDRCZ-MGPLVRAMSA-N 407.408 0.608 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cc1 518080065 DGGFPOWPZHNYFG-UHFFFAOYSA-N 422.441 0.987 30 20 HCED N#CCCCCS(=O)(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 518819235 DHSGLTFGCOFJKG-INIZCTEOSA-N 407.558 0.221 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 519718146 BIQWGXQBBBONKD-UHFFFAOYSA-N 403.439 0.348 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2cccc(C)c2)N2CCOCC2)C1=O 522243086 IKNXFQCUVIAJQR-KRWDZBQOSA-N 414.462 0.461 30 20 HCED N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1 533215715 HDTCGTKNLSMZDV-UHFFFAOYSA-N 419.869 0.153 30 20 HCED C=CCN(CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 533387888 BPMRJTDOZBDKQD-IRXDYDNUSA-N 418.581 0.620 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 537001925 MRCRZPSGCBFWLZ-LLVKDONJSA-N 400.361 0.944 30 20 HCED C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)n1cnc(C#N)n1 537301959 QSXQRIWHZNDNRU-GFCCVEGCSA-N 419.423 0.152 30 20 HCED COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCC1CCN(CC#N)CC1 549255902 YQEBYHRRZBQENH-UHFFFAOYSA-N 401.510 0.613 30 20 HCED CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 553241979 CGMINUWIGJIAGV-UHFFFAOYSA-N 406.489 0.868 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 555257525 UACGIAMMIBQFKM-UHFFFAOYSA-N 405.503 0.166 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CC2 557502363 HFFVNBKYVUIQCG-INIZCTEOSA-N 408.462 0.959 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3nccn3C(F)F)C2=O)cc1 560838987 IPSSGIXALFBIRC-AWEZNQCLSA-N 416.388 0.683 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1 568938349 XICWXWJJSPQRMT-GFCCVEGCSA-N 418.397 0.364 30 20 HCED COCCN(C)CCCNC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 585727798 WDEYDMIWKINCCE-UHFFFAOYSA-N 402.499 0.123 30 20 HCED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587648620 ZKYNOVUBCHDXHK-YOEHRIQHSA-N 401.467 0.348 30 20 HCED CN(C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 589875052 OGPLYBLXOJNVGV-MRXNPFEDSA-N 406.512 0.597 30 20 HCED COc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c(Cl)c1OC 609323740 VQLJFJGGQBMSCB-UHFFFAOYSA-N 419.890 0.899 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(CCNC(C)=O)C1=O 726394855 HWSYRNHIFLJKGA-OAHLLOKOSA-N 408.480 0.908 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)CC1 728589818 KVQNQHLOSYAGSE-UHFFFAOYSA-N 424.910 0.280 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 730067298 WIEZIYJDGGXZOW-UHFFFAOYSA-N 407.492 0.640 30 20 HCED C#CCN1C(=O)C(=NN=c2nc3[nH][nH]cc-3c(O)n2)c2cc(Br)ccc21 731154759 BOFPYBGFBSBXRY-UHFFFAOYSA-N 412.207 0.991 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](CN1CCOCC1)c1ccccc1 732442373 PJVRMCVYORVAMG-NRTINQSCSA-N 413.478 0.886 30 20 HCED CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C#N)nc2)C1=O 734600566 FFWYEDNGDNOTKI-FQEVSTJZSA-N 407.386 0.999 30 20 HCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)Nc3cnn(CC#N)c3)CC2)C1 746394570 QOEJYXGZEHPUIE-HZPDHXFCSA-N 415.498 0.184 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2cccc(OCC(=O)NCC)c2)CC1 747857905 ZHHVFZQDAGJGSD-UHFFFAOYSA-N 400.479 0.873 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C#N)c[nH]3)C2=O)cc1 748226178 JFGQLTCRFCJKHL-IBGZPJMESA-N 411.374 0.550 30 20 HCED C#CCOc1ccc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)cc1 750355975 NYIZZYGMPHXEPT-UHFFFAOYSA-N 415.490 0.914 30 20 HCED CN(C)CCn1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 751400886 UGHLQWVGKPEOBW-UHFFFAOYSA-N 404.496 0.902 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)cc2C)c(=O)n1CCOC 751553619 FJWNONPQYLVEET-UHFFFAOYSA-N 417.487 0.131 30 20 HCED CNC(=O)C[C@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N(CC(F)F)C1=O 751925618 SGCCTSHNGHDHJW-PDYGYHTQSA-N 420.463 0.535 30 20 HCED COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 754618596 KDZSILWQDZMDID-MRXNPFEDSA-N 408.476 0.666 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)C1 755544100 DIMGUKILDOAZEM-ZFWWWQNUSA-N 415.450 0.528 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)NC2CCCCC2)c1 768884588 PGIZUCKHLOLAJL-UHFFFAOYSA-N 406.508 0.960 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 770425714 YLRCJPKYLZOHAH-IBGZPJMESA-N 412.490 0.539 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC)[C@@H]1CCCO1 773791416 BPFWYUODLCTULI-STQMWFEESA-N 420.418 0.735 30 20 HCED CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)Cn1cnc(C#N)n1 775920840 RKOWVZWXPUHYQC-CQSZACIVSA-N 419.486 0.562 30 20 HCED CCOCCS(=O)(=O)NCC(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778822559 QZKHYRMQNCHERR-INIZCTEOSA-N 409.464 0.553 30 20 HCED N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)nc1 782130207 HCHKSGUGAWBYPN-UHFFFAOYSA-N 417.422 0.788 30 20 HCED COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NCCNc2ncccc2C#N)C1 787777308 LKHXOCSYPFWGCV-ZFWWWQNUSA-N 402.455 0.464 30 20 HCED CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 788275080 LOAVDWWWTGRZPC-MRXNPFEDSA-N 417.514 0.411 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccccc3C(N)=O)nc2)CC1 788705469 WROJOIXJKDHTHO-UHFFFAOYSA-N 402.480 0.563 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)CC1 789757817 OXBSTRNGIYVKOY-INIZCTEOSA-N 404.511 0.527 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 796202491 OJCLYYRDJOCPNX-HZPDHXFCSA-N 415.560 0.950 30 20 HCED CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N(CCF)C1=O 797815051 JKGUXTWNZZZGGC-IBPDABBASA-N 402.473 0.240 30 20 HCED N#CCSc1ccccc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 798119280 SXTUEXJDJVBPFX-UHFFFAOYSA-N 402.476 0.445 30 20 HCED C=CCN1CC[C@@H](OC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)C1=O 798608882 AREKZNDCPBUDCG-SECBINFHSA-N 410.228 0.223 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(C)C 799272865 LYEUOTVAFRLHIS-KRWDZBQOSA-N 406.508 0.335 30 20 HCED Cn1nncc1C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 803245000 QUFYSVPKKIONBH-UHFFFAOYSA-N 417.447 0.514 30 20 HCED C#CCNc1nc(NCCN2CCOC[C@H]2C)nc(NCCN2CCOC[C@H]2C)n1 804431266 NNHMHZUUSXLLBQ-IAGOWNOFSA-N 418.546 0.182 30 20 HCED C[C@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N[C@@H]1CCS(=O)(=O)C1 805586907 HYKPZMFVEWIFRH-AEGPPILISA-N 423.466 0.759 30 20 HCED CNC(=O)c1cccc(CS(=O)(=O)CCS(=O)(=O)c2ccc(C#N)cn2)c1 809174346 UVQYOZLAQMEPND-UHFFFAOYSA-N 407.473 0.702 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1 816682353 VXZNIEYRPKERLV-MRXNPFEDSA-N 405.520 0.923 30 20 HCED CCOCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 916868694 QZIZXJHUMIOJHF-KRWDZBQOSA-N 422.507 0.734 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)NCCNc2ccc(C#N)cn2)c2ccccc2O1 918265601 TVMRRXGSKPLVCQ-MRXNPFEDSA-N 408.418 0.022 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 918948121 FJKNHQKCNLTNMC-LLVKDONJSA-N 402.363 0.742 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CCO1 1299134800 UAAPFUQLFDNIFN-SFHVURJKSA-N 409.494 0.864 30 20 HCED Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(=O)n1C 1304360147 YKJWRLGVYSGHPB-BBRMVZONSA-N 418.523 0.832 30 20 HCED CCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1313888331 NOVSROYKANTGQI-ARFHVFGLSA-N 408.528 0.251 30 20 HCED CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1468028939 JYSUAAVXPOOXCZ-INIZCTEOSA-N 412.537 0.876 30 20 HCED CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1505124274 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0.824 30 20 HCED C=CCOCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnn3C)C2)C1 1831406452 PSAJONTYSOLIMF-FQEVSTJZSA-N 406.483 0.473 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1831432257 JKOILRRUFRCVLB-YWZLYKJASA-N 405.451 0.448 30 20 HCED Cc1ncc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](S)C(C)C)CCO3)cn1 1831485365 BUOQRJMZYXGJAU-QFBILLFUSA-N 408.524 0.809 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(CO)o3)C2)C1 1831492307 JPVOBAVOURAGOO-APWZRJJASA-N 412.508 0.796 30 20 HCED COC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1831622419 DXPMWVDYHUEEGO-XMSQKQJNSA-N 400.475 0.777 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)c3ncc(F)cc3F)CCO2)C1 1831960085 VXBQQJCBBDHYDE-IBGZPJMESA-N 408.405 0.980 30 20 HCED CCS(=O)(=O)CC(=O)NC1CCN(C2CCN(C(=O)[C@@H](C)S)CC2)CC1 1833456302 PHTQMTTYIXCVLZ-CYBMUJFWSA-N 405.586 0.311 30 20 HCED N#CC1(C(=O)N2CCOC[C@]3(CN(C(=O)c4cc(O)nc(Cl)c4)CCO3)C2)CC1 1833576370 KPJPEBQQZSQFIZ-IBGZPJMESA-N 420.853 0.814 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cccc(OC)n3)CCO2)C1 1833762811 ZXWFXEXJECLJRM-IIBYNOLFSA-N 417.462 0.199 30 20 HCED Cn1cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccc(CC#N)cc4)C3)C2)cn1 1834173682 IDKSBLWGZHXIOU-JOCHJYFZSA-N 423.473 0.870 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccn(C)n2)CCO3)c1 1834249233 RNFSQOSLALRWFO-QFIPXVFZSA-N 423.473 0.984 30 20 HCED CCC(=O)N[C@H](C)C(=O)N1CCC(N2CCC(NC(=O)C3(C#N)CC3)CC2)CC1 1834599621 OUOMHKUURWXZEX-OAHLLOKOSA-N 403.527 0.776 30 20 HCED C[C@H](C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1)[S@@](=O)c1ccccc1 1834767512 SQCAXQFKNMKWEB-FLMDJSIISA-N 419.503 0.553 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3nccc4[nH]ccc34)CCO2)C1 1836447705 BOSMAVVXMIRPRF-DJJJIMSYSA-N 404.492 0.951 30 20 HCED C=C1CC(C(=O)N2CCOC[C@]3(CN(C(=O)c4ccc5ncnn5c4)CCO3)C2)C1 1837164158 WDYMAJVVBJKPMF-OAQYLSRUSA-N 411.462 0.766 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837400403 DWXMXYPXMWLMLU-DYESRHJHSA-N 416.478 0.529 30 20 HCED CCO/C=C/C(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493461 GMTYLXGYEXNXTI-PTHHNIJRSA-N 420.506 0.692 30 20 HCED CCO/C=C/C(=O)N1CCOC[C@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837493462 GMTYLXGYEXNXTI-ZCQBWMKESA-N 420.506 0.692 30 20 HCED C#CC(=O)N1CCC(OC2CCN(C(=O)CC(=O)Nc3cc(C)on3)CC2)CC1 1838100519 YYODJERWQORYRY-UHFFFAOYSA-N 402.451 0.943 30 20 HCED COc1nc(C)ccc1C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1838173509 INPQJCSIPDJRBC-OAQYLSRUSA-N 414.462 0.772 30 20 HCED Cc1ccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)c(O)n1 1838543153 SWENKRCNAOQGAB-UHFFFAOYSA-N 415.446 0.796 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CN(C)C(C)C)C2)C1 1839228358 AIBGJPBDVTXEGN-YLJYHZDGSA-N 412.531 0.584 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)Cc3cccnc3)C2)C1 1839841244 NTKXXEYFNNXIBY-LZNRXBQRSA-N 416.522 0.620 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc[n+]([O-])cc3)C2)C1)C(F)(F)F 1839893724 LXIKHFQSXLVBPL-KRWDZBQOSA-N 415.368 0.509 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4nc[nH]c34)C2)C1 1840159505 GJFYVTPLNQKDIR-DJJJIMSYSA-N 404.492 0.951 30 20 HCED CCOC(CC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)C#N)C2)C1)OCC 1840279148 KPPKAUZMZXWTFU-HXUWFJFHSA-N 411.499 0.782 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840481469 WFCIQDZYPCXFHP-IERDGZPVSA-N 419.478 0.255 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)Cc2cn3nc(C)sc3n2)C1 1841785679 PZCXMNDYPPKRGQ-ZDUSSCGKSA-N 401.492 0.883 30 20 HCED C#CCO[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cccnc2CS(C)(=O)=O)C1 1842240075 SSRMAAZJYZFOTR-OAHLLOKOSA-N 419.503 0.482 30 20 HCED CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CC2(CCCN2C(=O)C2(C#N)CC2)C1 1842808741 VKLLODVURPSDEH-AWEZNQCLSA-N 406.483 0.769 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)[C@H](C)NC=O)C1 1845176895 XCSOMQXFZGWGSA-GJZGRUSLSA-N 408.499 0.794 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)c2c(O)cc(O)cc2O)C1 1845420152 ZSORIYOVGXPVFR-PLNGDYQASA-N 401.419 0.479 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H](C)NC(=O)c1ccccc1 1847265398 WWLUAZSTOBCLLG-RRHOLERGSA-N 424.501 0.865 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCO1 410150960 DWWLAZPUWHVHTO-GOSISDBHSA-N 406.508 0.526 30 20 HCED CCN(C[C@H](C)C#N)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 437392522 OBWQIZRMVPSYBJ-CRAIPNDOSA-N 414.462 0.648 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)C1=O 440282679 NGIGAEDPENVSOD-HNNXBMFYSA-N 411.455 0.554 30 20 HCED C=CCN(CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 440301434 GMTWWKHOKRTQGG-YOEHRIQHSA-N 411.499 0.794 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)NC[C@H]1CCS(=O)(=O)C1 443074084 SETDOCBVRGWGMW-WDEREUQCSA-N 419.912 0.429 30 20 HCED C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 443259768 BDKPVQZJJBZBGJ-BMIGLBTASA-N 400.826 0.977 30 20 HCED N#CCCn1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n1 446191021 FVSQUJUGIJXUCK-UHFFFAOYSA-N 407.434 1.508 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCC(C)(C)N1CCOCC1 464861172 XWSRLRSTDWVZBU-INIZCTEOSA-N 401.515 0.086 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n(-c2ncccn2)n1 467481866 HAZCHBANZUCIBL-UHFFFAOYSA-N 417.433 0.525 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1 473930286 ZGVIQUWRTQPQAC-UHFFFAOYSA-N 409.450 0.921 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1=O 482847273 KRJGZSXJEMBOON-CJNGLKHVSA-N 422.507 0.017 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)C1=O 484718004 ZHRITCINDFZMAT-UHFFFAOYSA-N 422.463 0.679 30 20 HCED Cc1cc(N2CC[C@@H](NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)n(C)n1 489366472 DTYUMYMPSYQLBA-JKSUJKDBSA-N 409.450 0.963 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)CN1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 497490977 BIYHMWGFPLVXKF-HNNXBMFYSA-N 418.523 0.877 30 20 HCED Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(CCC#N)CCCN(C)C)[C@H](C)O)cc1 499671542 SMVWBJXHBCUWBB-WMZOPIPTSA-N 410.540 0.717 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2c(C)cnn2C)c1=O 505666499 WYOLNTSFROYFKM-UHFFFAOYSA-N 403.533 0.050 30 20 HCED CCN1CCN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c(C)c2)CC1 508317657 LNEKHXZVJFHZBK-UHFFFAOYSA-N 410.482 0.355 30 20 HCED Cc1cc(NC(=O)C(=O)NCCn2cnc(C#N)n2)cc(N2CCN(C(C)C)CC2)c1 508345145 CXGRJHMKLMLWNP-UHFFFAOYSA-N 424.509 0.744 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncnn1CC(F)F 508465787 RQMJSNNARZCATK-SNVBAGLBSA-N 404.447 0.567 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 508964621 UWHDCLVRYDDEHV-UHFFFAOYSA-N 410.386 0.689 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(F)(F)F)[C@H](CO)C3)CC2)o1 511670592 JLWYMUCBFPMSOW-KBPBESRZSA-N 415.416 0.996 30 20 HCED CN1CCC(n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccncc3)c2=O)CC1 513042731 SJMXVRDZWLAYPG-UHFFFAOYSA-N 423.542 0.697 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCCCNC(=O)c2cccc(O)c2)cc1 514761939 PLKNHOVTISUKAM-UHFFFAOYSA-N 416.459 0.478 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 517772019 KJXGQRAMJWROJG-ZDUSSCGKSA-N 403.409 0.701 30 20 HCED Cc1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1S(=O)(=O)NCC#N 518687758 CCCRWQKJCQSEFJ-QGZVFWFLSA-N 408.524 0.884 30 20 HCED COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1NC(N)=O 520466730 XRJPIDYCBGVVKL-UHFFFAOYSA-N 403.420 0.974 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)CC(C)C)sc(=Cc3ccnn3C)c2=O)cn1 523180697 CIBLMHHMCZVQQV-UHFFFAOYSA-N 410.503 0.967 30 20 HCED N#CC(C(=O)c1ccc(F)cc1)=c1sc(=Cc2cccs2)c(=O)n1CC(N)=O 524283019 ZEXHAOKTVOONTJ-UHFFFAOYSA-N 413.455 0.982 30 20 HCED Cc1oc(NC(=O)[C@@H](C)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)c(C#N)c1C 532551666 HYFMCWJKCRIESV-HZPDHXFCSA-N 417.510 0.960 30 20 HCED C=CC[C@H](CO)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 538119988 JXQDDEYUQRJIET-AWEZNQCLSA-N 404.510 0.170 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 541415284 UOHCYZLEXVBWRK-QGZVFWFLSA-N 419.434 0.294 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2ccc3ccccc3n2)CC1 552862710 CGIGTTCLUJBMID-UHFFFAOYSA-N 409.490 0.340 30 20 HCED CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 555083536 DETDUXLOTDGMJM-ZDUSSCGKSA-N 404.500 0.501 30 20 HCED CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 555375822 KMPRBIIKZNSIDW-MRXNPFEDSA-N 423.477 0.532 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cc(C)nn2C)cc1 560203862 FPMJBWOIPHOKOB-UHFFFAOYSA-N 405.480 0.790 30 20 HCED C=CCC[C@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C(=O)O 569177558 OXJPCUVYDRCPBV-LBPRGKRZSA-N 410.539 0.928 30 20 HCED CN(C)C(=O)N1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 569999310 MICULIGBEOCYKZ-UHFFFAOYSA-N 413.413 0.647 30 20 HCED Cc1cnn(-c2ccc(S(N)(=O)=O)cc2NS(=O)(=O)c2cncc(C#N)c2)c1 571935684 NOAJUKSYIRDRNL-UHFFFAOYSA-N 418.460 0.896 30 20 HCED COCCC1(CNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC1 577143934 PJAGOMVKNXRGMV-UHFFFAOYSA-N 402.499 0.572 30 20 HCED CN(C)c1nccc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 580122545 DNHRVOUJHDUXCZ-UHFFFAOYSA-N 407.478 0.375 30 20 HCED N#Cc1ccc(CN2CCN(C(=O)COCC(=O)NCc3cccnc3)CC2)cc1 609029450 QJFIWIJCUYMWGR-UHFFFAOYSA-N 407.474 0.930 30 20 HCED Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1S(=O)(=O)N1CCOCC1 609328128 AXJSBOLOMITTPI-UHFFFAOYSA-N 406.508 0.734 30 20 HCED Cc1ccc(F)c(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c2=O)c1 609739287 RANURJQCILHTBG-UHFFFAOYSA-N 416.478 0.118 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 610239541 LVFXSUMFIJSNMV-GDBMZVCRSA-N 410.544 0.396 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN(CCO)CCN2CCOCC2)CC1 611409221 RAASQOAKRYRDQQ-SFHVURJKSA-N 421.567 0.083 30 20 HCED N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 619582971 FULFBQIMAAGRQV-UHFFFAOYSA-N 402.436 0.428 30 20 HCED Cn1nnc2cc(C(=O)NCC#CCNC(=O)c3ccc4c(c3)nnn4C)ccc21 680339588 IRSLGZURHLEHNS-UHFFFAOYSA-N 402.418 0.413 30 20 HCED N#Cc1c(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cn2ccccc12 728915506 VEHQHZWCMLZFBZ-MRXNPFEDSA-N 422.532 0.445 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1C 732415483 WFKHHIBMXRBWGB-NXVVXOECSA-N 407.452 0.551 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CSCN2C(=O)/C(C)=C\CC)CC1 733148572 CTUJTIROJFITBF-BOVGMKJQSA-N 406.552 0.528 30 20 HCED CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1 737180926 HLGGAPXLPQIPMQ-UHFFFAOYSA-N 416.459 0.893 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)n2ncc(C#N)c2N)cc1 746889365 XICVVGNFGOBCCB-UHFFFAOYSA-N 404.452 0.438 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@H]1CCN(C2CCOCC2)C1=O 746941996 NYAITUMZSPRYNR-HNNXBMFYSA-N 407.448 0.160 30 20 HCED N#Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 748003268 DGCRBCUGKIEETH-UHFFFAOYSA-N 400.416 0.637 30 20 HCED COC(=O)[C@H](OC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1cccc(C#N)c1 751633305 UVDQYAHYZPNWLC-MRXNPFEDSA-N 401.400 0.813 30 20 HCED CCS(=O)(=O)NCCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 753387074 AODMTSBXZKUXAK-LBPRGKRZSA-N 403.482 0.098 30 20 HCED Cc1nc2nc(N)nn2c(C)c1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758768160 HVBLGDRLQHFQEW-OCCSQVGLSA-N 414.470 0.741 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCC2(c3ccccc3)CCCC2)CC1 761036425 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COc1cc(C(=O)NCC(=O)OCC(=O)NC2(C#N)CCC2)cc(OC)c1OC 784195622 JCUDIJIHAQHROC-UHFFFAOYSA-N 405.407 0.548 30 20 HCED C[C@@H](OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(=O)NC1(C#N)CCC1 787598621 OSWLPYRIKDIJNF-SNVBAGLBSA-N 400.347 0.685 30 20 HCED Cn1c(=O)c2c(ncn2CCOC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n(C)c1=O 795818006 BRVHWLCAZCBSSE-HNNXBMFYSA-N 406.402 0.231 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)CC1 795823646 NXERCEFLBSHNFL-UHFFFAOYSA-N 407.492 0.227 30 20 HCED CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)c2C1 796724269 REEGDQPLDPNGJW-CQSZACIVSA-N 401.448 0.572 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)c(F)c1 802547304 OSWXTPXYHNOINS-UHFFFAOYSA-N 407.398 0.979 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)[C@H](C)C1 807453708 DOTJXFSEZWANRL-ZIAGYGMSSA-N 408.480 0.798 30 20 HCED C[C@@H](CCc1ccc2c(c1)OCO2)NN=Cc1c(N(C)C)n(C)c(=O)n(C)c1=O 807987426 FAYBHGKWOZMRQZ-ZDUSSCGKSA-N 401.467 0.824 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)cc1 810941415 YIYIZYCROPOQHM-SJLPKXTDSA-N 403.460 0.437 30 20 HCED CC(=NNc1ccc(S(=O)(=O)NC2CC2)cn1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 811638068 FYBRZVYZNPFYDR-UHFFFAOYSA-N 414.447 0.888 30 20 HCED C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccc(F)cc1 812935722 GZPJTNMJCHXVOE-QGZVFWFLSA-N 402.426 0.213 30 20 HCED COCc1ccccc1/C=C(\C)C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 814224392 GMNBHKSULZGGSR-PAYAALPKSA-N 406.464 0.598 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C 815861247 YQCNVDWOUCHKCG-SFHVURJKSA-N 400.479 0.614 30 20 HCED Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cnc21 916966497 NNCHJGCKSGXLAV-LBPRGKRZSA-N 408.374 0.249 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Nc2cnn(CC(N)=O)c2)c1 918541804 MFBJIJDBFHYEBK-JWGURIENSA-N 419.467 0.825 30 20 HCED CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 921103884 LSHKVLKHQSGXJV-UHFFFAOYSA-N 414.509 0.671 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)ccc1=O 1004787185 DBYQQTVBVZZYQC-DZVNLGKHSA-N 400.479 0.781 30 20 HCED COc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cnc1Br 1122416346 XFRQQRXMRXXIEV-JTQLQIEISA-N 416.253 0.432 30 20 HCED CCOC(=O)c1c(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c(C#N)cn1CC 1276337009 YOJOTDKKHNJNST-UHFFFAOYSA-N 417.447 0.992 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)N(C)C 1288862104 HFUMRNMVOBFFHI-YCPHGPKFSA-N 424.575 0.015 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1303367389 RBUFNAQZATVEMH-IBGZPJMESA-N 407.494 0.705 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2cccc(F)c2F)N(CC(=O)NCCOC)C1=O 1324334294 QRSSFJGCDQZCSF-LBPRGKRZSA-N 414.434 0.795 30 20 HCED CC1(C#N)CN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 1475838560 WCCUGIDPMHGUKH-CYBMUJFWSA-N 412.493 0.529 30 20 HCED Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1540762209 LRYCRDRIILSMAZ-HOTGVXAUSA-N 406.508 0.979 30 20 HCED CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1547710626 OFKWRUDPCRSWSI-HNNXBMFYSA-N 417.539 0.896 30 20 HCED COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1653013798 OFOYBUQKRBRHJG-SFHVURJKSA-N 422.441 0.652 30 20 HCED CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1663904699 WXZNHBAGMZFIRW-UHFFFAOYSA-N 400.478 0.948 30 20 HCED CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1752476677 PVFDLSZPKMFGSZ-MRXNPFEDSA-N 420.481 0.884 30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCS(=O)(=O)CC 1763112314 JHZNGEIVSZMZEM-CQSZACIVSA-N 418.527 0.652 30 20 HCED N#CC1CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)CC1 1771536161 KVTDEGKWQMJNMU-UHFFFAOYSA-N 420.539 0.965 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1 1777849699 YNGKJPRWJOLQTJ-IUSZMWJPSA-N 417.462 0.659 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1778787828 ROGKDUGDVGNSKP-OXJNMPFZSA-N 416.434 0.066 30 20 HCED N#Cc1cccc(CCC(=O)N2CCO[C@]3(CCN(C(=O)C4=NNC(=O)C4)C3)C2)c1 1778932310 JTCOZLUHPSWHDY-OAQYLSRUSA-N 409.446 0.197 30 20 HCED COC[C@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cccc(C#N)c3)CCO2)C1 1779316583 WKYDOCMKTLLNRN-RXVVDRJESA-N 414.462 0.153 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cnncc3C(=O)O)C2)C1 1779524715 ARHRRNXUJWJIKS-QRWLVFNGSA-N 418.450 0.191 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@H]1CCCCO1)C2)c1ncon1 1779931822 APQGXUILFSVZOQ-BQNVXVNNSA-N 421.454 0.726 30 20 HCED CC(=O)NCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@H](C)ON=C(C)C)C1 1780807588 MFCBKRXFLUAMOX-XAUMDUMWSA-N 410.515 0.827 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(CN(C(=O)CCN(C)C)CCO3)C2)c(C#N)c1 1781173541 FZQUXRNUUHVGKL-JOCHJYFZSA-N 414.506 0.891 30 20 HCED C=CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)Cn2cccc([N+](=O)[O-])c2=O)C1 1781562770 SVMYCIBCHKUSKZ-OXQOHEQNSA-N 418.450 0.847 30 20 HCED C[C@H](S)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(N3CCN(C)CC3)CC1)C2 1782185307 PUFNLODGIYBGMR-SQGPQFPESA-N 424.611 0.599 30 20 HCED C=CCNC(=O)/C=C\C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(C)ccn3C)C[C@@H]21 1783531653 YHJFDMCLXKZLOJ-SKNOTLCPSA-N 414.506 0.785 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CCO[C@@]2(CCN(C(=O)CC3(O)CCC3)C2)C1 1784824793 GHBUKVFDKKNRSP-JOCHJYFZSA-N 404.507 0.820 30 20 HCED CC(C)(NCCC#N)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCCOC3)C[C@@H]21 1786860524 FRZVYZQPMDYYFF-XSLAGTTESA-N 406.527 0.675 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)[C@@H](O)C=C)[C@H]2C1 1788570795 SIDCTSXQZGDVGD-HLPXXCTFSA-N 419.522 0.398 30 20 HCED Cc1c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)S)C[C@@H]32)cn2[nH]cnc(=O)c12 1789177218 QPQICKSBBNQICM-JURCDPSOSA-N 419.507 0.243 30 20 HCED C=C1CC(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(C)=O)C3)C1 1792443810 SPAKIPHZSABWJY-UKBAYJJMSA-N 415.494 0.013 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CN2CCSCC2)c1 1792465751 SITNRMMRQKHELY-JLVBRIDZSA-N 403.508 0.138 30 20 HCED 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C=CCC(F)(F)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(=O)oc3)C2)C1 1839887657 DZCCONCGZOXBGD-GOSISDBHSA-N 412.389 0.921 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)CCO2 1840121074 FUKXYODVARYDTC-FGSXEWAUSA-N 412.442 0.335 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4nn[nH]c4c3)C2)C1 1840163461 HQOJUOACGRPEKN-XIKOKIGWSA-N 405.480 0.346 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(OCC)nn3)C2)C1 1840169188 OPQLEFKCYZVBIN-OAQYLSRUSA-N 416.478 0.749 30 20 HCED C#CCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](C)Oc1ccccn1)CCO2 1840428817 YHKSRLKDSVDBON-UTKZUKDTSA-N 401.463 0.719 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)CCc3cnccn3)CCO2)C1 1840455783 KIZNLPRLDCCFOB-UYAOXDASSA-N 422.551 0.820 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cnn(C)c3)CCO2)C1 1840465534 CGZOFVMPRKGSAA-UZLBHIALSA-N 421.498 0.220 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)no1 1840816395 QMMAXYOUBFNFPT-HXUWFJFHSA-N 402.451 0.676 30 20 HCED CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847158155 PXRFZPSAXOCXAR-UHFFFAOYSA-N 407.467 0.829 30 20 HCED N#CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CCc3nc(O)nc(O)c3C2)CCC1 1848216641 LJOVROINEHBVNO-RCBQFDQVSA-N 411.462 0.888 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C1CC1 22105581 NOQPUIFKUGXSAU-LEWJYISDSA-N 410.430 0.732 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 24758911 GHFCZZRBAYCLJM-CQSZACIVSA-N 405.480 0.265 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 28485277 WUBZKQNWFQLODW-UHFFFAOYSA-N 404.408 0.196 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1 254578689 GZQHTJSHABNCJP-UHFFFAOYSA-N 418.478 0.656 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)C1=O 427290264 ZDTUINJFPXGWLB-HOTGVXAUSA-N 420.510 0.701 30 20 HCED N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)o1 427994760 TWTPVOVJVAILRG-GFCCVEGCSA-N 409.445 0.869 30 20 HCED C=CC[C@@H](C)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 429801517 MEZKHTINLGTYLG-OCCSQVGLSA-N 411.480 0.451 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 435098904 ONTVUYGFUXHHOS-HXUWFJFHSA-N 414.466 0.890 30 20 HCED Cn1cc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(C#N)s3)CC2)cn1 435438115 NTYDISXSPBRNSS-UHFFFAOYSA-N 415.522 0.485 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CN4CCN3CC4)CC2)cc1 437304048 DAXPJSWBBYLKMA-GOSISDBHSA-N 417.535 0.075 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C1=O 440252093 FLUIUIHGZINVJS-INMHGKMJSA-N 415.494 0.879 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](CO)c1ccc(F)cc1 440888288 FVERWIHHALYLRL-MRXNPFEDSA-N 408.393 1.375 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)n2)c(F)c1 442378091 HZBGSGVIUVCDCR-GDBMZVCRSA-N 424.436 1.339 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 462028022 YHRJIKIBSXSCRY-AWEZNQCLSA-N 403.468 0.850 30 20 HCED 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CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 487104241 PKPZLERDRXUDME-SJORKVTESA-N 419.507 0.382 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CCOC)CC2)c1 489009394 IKRCQDWZZMOWLJ-UHFFFAOYSA-N 409.508 0.908 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 490649927 KBPWPCZJBZFYGX-UHFFFAOYSA-N 415.406 0.265 30 20 HCED Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 503560502 AABHRLLOQGTGAX-CYBMUJFWSA-N 400.464 0.655 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 504096005 NFGUUVDKWLMQAI-DZGCQCFKSA-N 413.521 0.651 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](c4nnc5n4CCC5)C3)CC2)o1 505868303 MCTHECXYINTGRB-MRXNPFEDSA-N 424.509 0.921 30 20 HCED COc1ccc(CC(=O)Nc2n[nH]c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 508776970 GKDVIMNETDOTIS-UHFFFAOYSA-N 419.463 0.801 30 20 HCED COc1ccc(C(=O)N2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)c(OC)c1 509934737 ODCNITJGKZQMDU-CQSZACIVSA-N 410.496 0.940 30 20 HCED N#C[C@@H]1CN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCO1 514441855 ZQIHEIYGJTUIBV-IAGOWNOFSA-N 402.451 0.795 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(C)n2)cc1 516457087 UOKSHRCGKDQFKQ-UHFFFAOYSA-N 403.464 0.846 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1CCOCC 523477648 MCTCTNCTAGIHTN-UHFFFAOYSA-N 415.515 0.984 30 20 HCED COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)Nc2cc(C)nn2CCC#N)C1 526113489 CHYKJOQXDUBNEN-HUUCEWRRSA-N 404.471 0.433 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)CCC#N)CC2)cc1OC 533025914 VJEVOTBJPPCYCD-UHFFFAOYSA-N 410.496 0.382 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 535650235 KUQROSAMZSMPQN-MRXNPFEDSA-N 415.475 0.945 30 20 HCED C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541141010 RQIXTKDGWZXIBO-RISCZKNCSA-N 403.826 0.944 30 20 HCED CC#CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)O 543789152 YFAGTQPDDURCBP-OAHLLOKOSA-N 402.494 0.862 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)c1ccccc1 552733243 JXLHAAWFDNKONS-DEYYWGMASA-N 414.487 0.999 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N 558234176 XHEOOKLUSGYNMK-AWEZNQCLSA-N 411.459 0.413 30 20 HCED COc1cc(CNC(=O)NCCn2cnc(C#N)n2)ccc1OCC(=O)N(C)C 561499801 YEQJZDKHJLZAEC-UHFFFAOYSA-N 401.427 0.125 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)n1 562143738 XBEACXZEXSVEPL-HNNXBMFYSA-N 403.402 0.290 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1=O 573833664 RHSDYWXIVAOQRS-RBUKOAKNSA-N 414.506 0.115 30 20 HCED N#Cc1ccc(NC(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cc1Cl 584861822 WDGONVSSXMLYMO-UHFFFAOYSA-N 416.825 0.844 30 20 HCED COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(=O)N[C@H](C)c1cccc(C#N)c1 587703976 LKISENSHRCLSGK-YFTGLANFSA-N 413.430 0.687 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)CC1 606073557 DZSSSOQOTJKCNO-UHFFFAOYSA-N 408.524 0.992 30 20 HCED CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccn(CCC#N)n2)c1 609806588 YBJUWUFDNMKNEF-UHFFFAOYSA-N 404.452 0.416 30 20 HCED C=CCN1C(=O)[C@@H](CC(=O)NC2CC2)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 726403054 IRUDVNSAFZAOKG-UDJKBAMHSA-N 422.532 0.989 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1=O 726627969 RFBRMFBSXOXZRG-UHFFFAOYSA-N 400.435 0.757 30 20 HCED C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 726682558 RZPNRCCSIGPDPM-UKRRQHHQSA-N 403.435 0.987 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cn1 729030210 BNVRINDCJYTYFM-UHFFFAOYSA-N 405.418 0.245 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 730396048 LDCBGMOSCCVZMP-UKRRQHHQSA-N 410.496 0.531 30 20 HCED CSC[C@H](C(=O)OCCn1ncc(C#N)c1N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 731771732 MNCYCUBKWBJJOH-MELADBBJSA-N 405.480 0.787 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cnn(C(C)C)c2)c1=O 732795427 GYCWGOOMLAGKER-UHFFFAOYSA-N 403.508 0.363 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)C2CC2)cc1 734230147 QVZARZVLOSQGHI-UFPHYQGISA-N 408.480 0.325 30 20 HCED C=CCn1c(S)nnc1-c1sc(NC(=O)c2cn(C)c(=O)n(C)c2=O)nc1C 735048230 KLJNKNXGGBMAAI-UHFFFAOYSA-N 419.492 0.834 30 20 HCED COC(=O)C1=C(C(C)=O)[C@H](c2cn(C)nn2)NC(=O)N1Cc1ccc(C(=O)O)cc1 741654261 NCYRWAFHUUGXOZ-HNNXBMFYSA-N 413.390 0.796 30 20 HCED CCCN(C)C(=O)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 749634437 VRCKBYHPUWQAGR-AWEZNQCLSA-N 424.548 0.885 30 20 HCED C[C@H](CC(=O)NC[C@@H]1CCCCS1(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 752844805 YJBAJZLDAFFROT-OLZOCXBDSA-N 413.521 0.587 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(CNS(C)(=O)=O)o2)[C@H](C#N)C1 756886685 OZCSVIWVCWWDOD-DGCLKSJQSA-N 412.468 0.818 30 20 HCED C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2=O 756987723 QUDBHJSWQFKETM-SDGVZRARSA-N 417.466 0.376 30 20 HCED CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1cn(CC(=O)N(C)C)nn1 759238550 MDFVLUJKSJOZQT-LBPRGKRZSA-N 414.422 0.693 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 761037317 OTOZMSYVZLHYNL-ZDUSSCGKSA-N 421.548 0.521 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 761038494 VQPWCVWVLHYHJN-SFHVURJKSA-N 403.504 0.665 30 20 HCED CN(C)CCOc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccn1 765389554 NFKGVFHIAANRMP-UHFFFAOYSA-N 403.464 0.699 30 20 HCED N#C[C@@H](C(=O)C[C@@H]1COC(=O)C1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 766261282 KHIGOLMNLGMELE-BBRMVZONSA-N 400.391 0.905 30 20 HCED COCCCNC(=O)[C@H](C)N1CCN(Cn2cc3c(c(C#N)c2=O)CCC3)CC1 766638625 VRPMGHMTUBDMKF-INIZCTEOSA-N 401.511 0.325 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@](C(=O)OCC)(C(C)C)C2)c1=O 773324486 BZFVXEWHNKXKDI-FQEVSTJZSA-N 406.483 0.412 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 773943448 OKZGISBQMGPCRC-KFWWJZLASA-N 407.492 0.903 30 20 HCED C#C[C@@H](NCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCCO1 775793716 NDLBIYHEORYGDW-QZTJIDSGSA-N 421.519 0.725 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NS(=O)(=O)CCCC#N)C2=O)cc1 776118653 UKUUTNLBBVLHFC-QGZVFWFLSA-N 408.436 0.212 30 20 HCED COC(=O)Cn1cccc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 776186869 WTZDUPNRWSRAOV-UHFFFAOYSA-N 420.495 0.438 30 20 HCED C=CCS(=O)(=O)CCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 783541914 LICMMKUCORNKCE-UHFFFAOYSA-N 406.551 0.792 30 20 HCED N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@H](Cc1ccc(F)cc1)C(N)=O 785140052 SVORWAFLVBNZHS-OAHLLOKOSA-N 405.407 0.615 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCOC[C@H]2c2noc(COC)n2)cc1 785335855 XYCWILJTFACLKX-HNNXBMFYSA-N 400.391 0.767 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 785336928 PAPKJXSDFZVRJX-UHFFFAOYSA-N 418.435 0.694 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(N(C)C)no1 793852926 WCFBHBWIWWRJEN-ZDUSSCGKSA-N 420.495 0.905 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 797055514 YFONPEWXMMOMDK-CYBMUJFWSA-N 408.432 0.069 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N=C3C[C@H](C)ON3)ccc2F)CC1 801180360 FSUXSBJDWNNZQW-NSHDSACASA-N 412.443 0.531 30 20 HCED C#CCN=c1nc(N2CC[C@@H](N3CC=CC3)C2)[nH]c(N2CC[C@@H](N3CC=CC3)C2)n1 804505718 ISTJXQFYUWGRDI-RTBURBONSA-N 406.538 0.240 30 20 HCED C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCOCCS(C)(=O)=O)cc1 806456691 UFFZYYVIEHIIAV-GFCCVEGCSA-N 403.482 0.555 30 20 HCED N#C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 809394379 IPPSIZCPUVEKOM-SJORKVTESA-N 409.464 0.578 30 20 HCED Cn1cnc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 811359352 YYKGOMKIBGNZBR-UHFFFAOYSA-N 411.378 0.440 30 20 HCED C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC)c1 812041080 QEBMBSSBSHHOIM-ZDUSSCGKSA-N 404.496 0.964 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cn(C)nc2C(F)F)c(=O)n1-c1ccsc1 812279203 SYKUTGCCCACECO-UHFFFAOYSA-N 421.454 0.881 30 20 HCED N#CCOc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)cc1 812964026 FERBPWRALJRJLN-UHFFFAOYSA-N 421.457 0.776 30 20 HCED CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C(=O)Nc1ccc(C#N)cn1)CCO2 815798446 DYIWAZXFOICXSP-UHFFFAOYSA-N 401.423 0.740 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1 875645291 NCDUSOLMQGSCPP-UHFFFAOYSA-N 420.535 0.224 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 916875812 UHNGLAWUJBDVCW-UKRRQHHQSA-N 401.419 0.672 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2ccc(O)nc2=O)c1 918616570 JGDCQNSHQQSNPB-XSFVSMFZSA-N 405.436 0.400 30 20 HCED COC1(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1315263959 YIHIMUPHKAKOGE-KBPBESRZSA-N 412.516 0.576 30 20 HCED N#Cc1ccc(OC[C@H](O)CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1322986447 SCKJHHBRBWWYPC-LJQANCHMSA-N 414.506 0.734 30 20 HCED CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359597409 PQIZAWNNRQKPQQ-HXUWFJFHSA-N 419.505 0.953 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1 1446608545 ZSGQRUOVMUMCBE-QGZVFWFLSA-N 405.476 0.369 30 20 HCED CCN(C[C@@H](O)COc1ccc(CCOC)cc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1458392758 LBDYISVSDZYGQX-OAHLLOKOSA-N 402.451 0.400 30 20 HCED CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1516854674 SXRMULKPEOPMCM-SUMWQHHRSA-N 409.516 0.299 30 20 HCED CN1CCN(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 1611626930 ZVZRRUSOGHGYGF-UHFFFAOYSA-N 405.524 0.075 30 20 HCED N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(N)(=O)=O)C3)CC2)c(Cl)c1 1634228813 OXNGTBRWDHFRGB-AWEZNQCLSA-N 411.915 0.776 30 20 HCED N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCC(=O)N2CCOCC2)c1 1698486392 XGYBUDYHTJQSEU-UHFFFAOYSA-N 423.477 0.392 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/N1CCCCC1)C2)[C@@H]1C=CCN1 1777973570 XLLLBGKNOHKBTD-DACJCMDESA-N 403.527 0.500 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)COC(=O)C(F)(F)F)CCO2)C1 1778973505 SHWYPKRAPAOESR-PXAZEXFGSA-N 422.400 0.495 30 20 HCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779018673 FBJPXWVFVDQANZ-ZMLPTCQCSA-N 412.556 0.447 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@]2(C1)CN(C(=O)CN1CCCC1=O)CCO2 1779065139 RVFSQHDWQJMPCU-QFIPXVFZSA-N 417.506 0.137 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1ccncn1)CCO2 1779101568 NOCIVNVFBPKXQH-CHYCHQIZSA-N 403.439 0.449 30 20 HCED O=C(C/N=C/c1ccco1)N1CC[C@]2(C1)CN(C(=O)c1cn3cccnc3n1)CCO2 1779135826 HKLWRKASSCOVMO-IQTGRTGDSA-N 422.445 0.885 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)c(C#N)c1 1781171447 YRHPTZHKCUMBNR-QRFVXNFXSA-N 413.474 0.710 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@]2(CN(C(=O)CC(F)(F)C(=O)O)CCO2)C1 1781268781 XKRXSUZVYUOQQT-KRWDZBQOSA-N 418.393 0.436 30 20 HCED C#CCCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CN(C)C(=O)C(=O)O)C1 1781542664 SDGIWXABDNHNPQ-IIBYNOLFSA-N 421.494 0.237 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)C1 1781765961 LUNILGPYCANOKH-GOSISDBHSA-N 405.338 0.265 30 20 HCED C=CCOCCCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)[C@@H]2CNC(=O)C2)C1 1781774139 JALIRILMJVCYCI-CSODHUTKSA-N 407.511 0.619 30 20 HCED 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C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 479141120 FWKAEPACOWTGMX-UHFFFAOYSA-N 417.490 0.958 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(-c2ccncc2)no1 480122624 UDFDXJDKDUGSIP-GFCCVEGCSA-N 412.431 0.986 30 20 HCED Cc1cnn(C[C@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 480403606 MKDZXMXZNPCOOX-QGZVFWFLSA-N 417.491 0.611 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 481062520 UZVVHAMVUNOJQQ-UHFFFAOYSA-N 423.520 0.604 30 20 HCED COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 482499154 DDRWNABMDLVYRY-CABCVRRESA-N 422.507 0.321 30 20 HCED CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(C#N)s2)c1=O 482547765 AFCDVYCSVUTUJR-UHFFFAOYSA-N 416.553 0.941 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](COCC4CC4)C3)CC2)o1 485852308 IKZINBPBCJGGCU-KRWDZBQOSA-N 403.483 0.631 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC(C)C)CC2)c1 493002412 FGHUCCZTSIZUTH-UHFFFAOYSA-N 408.524 0.433 30 20 HCED C[C@H](O)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 502025463 DHLCQLOQPODBJX-LQWHRVPQSA-N 417.529 0.921 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 502281558 YBWRAJGLPDAVRC-UHFFFAOYSA-N 423.564 0.768 30 20 HCED CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 503164241 JYZXJLVEKJYFBR-MRXNPFEDSA-N 407.496 0.682 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(C)(C)c2cccc(F)c2)CC1 505764320 XKODTMIKQGJHRK-UHFFFAOYSA-N 404.486 0.666 30 20 HCED Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N[C@H](C)C(=O)NCCF)c1C 506489583 VDUBKDFZEDEQJF-CYBMUJFWSA-N 400.414 0.890 30 20 HCED Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nnn1-c1ccn(C)n1 506867949 PIRGFIRMRQITPL-INIZCTEOSA-N 404.434 0.712 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 516629948 YPTWXKQLPMFHHT-UHFFFAOYSA-N 422.489 0.651 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)cc1 523327534 AAZWDNASQDMWID-MRXNPFEDSA-N 422.532 0.920 30 20 HCED CCOC(=O)c1ccc(C#N)c(SCC(=O)NC(=O)N2CCC[C@H]2C(N)=O)n1 525111386 VEPPURKWZZIHMT-LBPRGKRZSA-N 405.436 0.408 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCNC2=O)C1 531698558 KILYAQZMTMFLER-ZFWWWQNUSA-N 405.480 0.241 30 20 HCED COCCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 531946151 BSSJTALXLDQVSV-AWEZNQCLSA-N 418.475 0.962 30 20 HCED CCOC(=O)c1c(NC(=O)CN(C)S(=O)(=O)CC)c(C#N)cn1CCOC 537433394 ASWBENDKKUUELP-UHFFFAOYSA-N 400.457 0.403 30 20 HCED Cc1ccn(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c(=O)c1C#N 545338377 GQIPRGHPQVKNOX-UHFFFAOYSA-N 419.463 0.166 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1 551189764 DYQDJECFZCLWOB-UHFFFAOYSA-N 416.445 0.880 30 20 HCED CCc1cccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3c(C)cnn3C)c2=O)c1 551921007 DFLURFSYCPQMCX-UHFFFAOYSA-N 407.499 0.752 30 20 HCED CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H](C)S1(=O)=O 553798259 NJRMXGWSTFNSBS-DZGCQCFKSA-N 413.521 0.835 30 20 HCED COCCOc1ccc(CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)cn1 555035965 RDICLZJPJDCAQV-UHFFFAOYSA-N 421.417 0.814 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCCCCC2)CC1 559605553 HRAWFVGEUPWEST-IBGZPJMESA-N 421.586 0.450 30 20 HCED CN(C)S(=O)(=O)c1cccc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1 570768482 SKEUWMTXENELNR-UHFFFAOYSA-N 416.503 0.851 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 580422159 IEJGKDCFKLZRDP-UHFFFAOYSA-N 407.478 0.245 30 20 HCED Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCc3ccc(C#N)cc32)cc1 581000475 OUGBXNSLMHQPCW-UHFFFAOYSA-N 412.471 0.851 30 20 HCED CC(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN(C)C 583783453 IMCIYSZRZMASDT-KRWDZBQOSA-N 423.539 0.045 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2CC(C)C)CC1 603796418 SCNCVBXQPZVFIW-UHFFFAOYSA-N 414.531 0.826 30 20 HCED CNC(=O)Cc1ccc(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604168640 GVEVTQMJJLWZHA-UHFFFAOYSA-N 406.446 0.529 30 20 HCED CN1CCN(C(=O)CN2CCC(N(C)C(=O)CNc3ccc(C#N)cc3)CC2)CC1 609267109 WDSQDCIDYWXQJH-UHFFFAOYSA-N 412.538 0.667 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)CC1 729256707 DWIOTOJOAZLXFD-LJQANCHMSA-N 410.518 0.940 30 20 HCED CC[C@@H](C#N)Oc1cc(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)ccc1OC 733278248 RSXMFXUTFYYALP-AWEZNQCLSA-N 421.479 0.704 30 20 HCED C[C@@H](CC(=O)N1CCN(CC(C)(C)O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742644892 YYBHVAPIMIKOPK-AWEZNQCLSA-N 408.524 0.419 30 20 HCED C#CCN(CC#CC)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 744410853 VTPKYQMDQLKWPA-UHFFFAOYSA-N 409.458 0.756 30 20 HCED C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1(N2CCOCC2)CCCC1 748351077 OIIOWVCEGIIGSS-HNNXBMFYSA-N 420.535 0.875 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c1 748738369 ONEHIBCOBURVNP-INIZCTEOSA-N 409.533 0.980 30 20 HCED C#CCN1CCN(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2N)CC1 750000633 QZBCDEAHGQVGML-UHFFFAOYSA-N 416.507 0.546 30 20 HCED C#CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2ccc(C#N)o2)c1=O 758078159 ZDZGYTWBWDMSFD-UHFFFAOYSA-N 401.407 0.544 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762295823 MUVQNWGVGIIKMD-CXAGYDPISA-N 403.464 0.559 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCNC(=O)[C@H]1c1ccccc1C)c1cc[nH]n1 772546758 JDDYHMAKMAPTJB-GOSISDBHSA-N 413.434 0.702 30 20 HCED C=C[C@@](C)(CCOC)C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 782443608 NZJPCGGLNDAEPP-YJBOKZPZSA-N 402.513 0.090 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2ccc(OC)c(O)c2)n1 787302721 DHXMUGNRTNVMLO-UHFFFAOYSA-N 400.435 0.522 30 20 HCED C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 789115718 USNFMTWJANAIDZ-IFXJQAMLSA-N 407.467 0.734 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CC)c1cc[nH]n1 789965078 DADRGOPOXIRTQX-DGCLKSJQSA-N 411.484 0.510 30 20 HCED C#C[C@H](NC(=O)C(=O)NCCNC(=O)c1ccc(Br)cc1)[C@@H]1CCCO1 793760005 HYVWJCKCQHBTMB-GJZGRUSLSA-N 422.279 0.592 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccccc2OC)c1=O 797411557 ZGUBVPAJGILILG-UHFFFAOYSA-N 407.455 0.777 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCc2cnn(C)n2)cn1 814709169 TZVGEAQBDKTGAB-AWEZNQCLSA-N 404.500 0.732 30 20 HCED C#CCNC(=O)CCN1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 815064570 TWQLZZHBIZWUTD-UHFFFAOYSA-N 411.480 0.129 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 918875708 KGYGWPRAKFWFMI-HNNXBMFYSA-N 423.491 0.872 30 20 HCED Cc1ccnc2[nH]c([C@H](C#N)C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)nc12 1263377025 PEMAYPMANAFWJW-JHJVBQTASA-N 401.448 0.478 30 20 HCED CNC(=O)c1ccc(CS(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1309409500 VCKQIWVJEDBGPL-UHFFFAOYSA-N 416.507 0.612 30 20 HCED O=S1(=O)NC(=NNc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc21 1330135459 KLDWFFKXKDNYFQ-UHFFFAOYSA-N 422.488 0.773 30 20 HCED Cc1cc(NC(=O)CN2CCN([C@@H](C#N)C(C)C)CC2)n([C@H]2CCS(=O)(=O)C2)n1 1341290150 KLOIBUNYJHVEQH-IRXDYDNUSA-N 422.555 0.655 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 1359151038 LKEHJDMYQLDWJA-AWEZNQCLSA-N 419.935 0.572 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)CC2(CC#N)CC2)CC1 1462882496 YQNUJIRFOUZNLL-UHFFFAOYSA-N 400.501 0.679 30 20 HCED COC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1517739489 JRSUYZSKPWSYSD-ZIAGYGMSSA-N 414.532 0.632 30 20 HCED COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCOC2)c(OC)c1 1554869420 XRSOCLXCMDSMHY-QRWLVFNGSA-N 415.450 0.842 30 20 HCED N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1555988336 XPABWSZFHXFSGZ-HNNXBMFYSA-N 419.532 0.820 30 20 HCED COC(=O)c1ccc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)c(Br)c1 1556212267 OTIXGMWNRRRWFI-UHFFFAOYSA-N 421.207 0.686 30 20 HCED CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc(C#N)c(O)nc1=O 1566798743 RGPABFPXIWQNOU-KGLIPLIRSA-N 403.439 0.821 30 20 HCED N#C[C@H]1CN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CCO1 1620357025 POFXFKFKSCQKQM-KRWDZBQOSA-N 423.477 0.223 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 1628787138 QMMXFFJTUYCULR-QGZVFWFLSA-N 424.436 0.415 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CCO1 1696964888 RFPZYPWPNANWPZ-IAGOWNOFSA-N 412.450 0.183 30 20 HCED COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)c1 1697307074 IGYMXNLKMTWJMD-INIZCTEOSA-N 400.439 0.779 30 20 HCED C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1706748502 VYEKZFGYPHXXJJ-JKSUJKDBSA-N 422.555 0.783 30 20 HCED CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CC1 1710734485 DVCZAHNAWNVUIU-HNNXBMFYSA-N 408.528 0.568 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CCOCC1 1741944691 OAYRBNIKSLBLKC-HIFRSBDPSA-N 412.516 0.434 30 20 HCED CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1748123648 PFLSFSPDCLXNKE-CQSZACIVSA-N 413.482 0.635 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1 1750059726 UHTVPZWUQRCCFV-INIZCTEOSA-N 403.531 0.957 30 20 HCED Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(=O)NCC(F)F)cn1 1769006724 AZSJBNJCXOKNGL-CQSZACIVSA-N 419.440 0.236 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(CC)n(C)n3)CCO2)C1 1778970232 ASBZYWPMWULCIM-LAUBAEHRSA-N 404.511 0.999 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(=O)cco1)CCO2 1779100573 DFZDHOYJGDKFSD-CFFCXZSUSA-N 419.434 0.612 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1779103001 LTUXYGGWMXZIKU-ILBGQUFFSA-N 418.450 0.293 30 20 HCED CC(=O)N(C)[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779136816 NEWPEMJFYAOBNW-PTZOJGTBSA-N 404.467 0.395 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 1779621864 QKXPEZSXQAONIH-UTKZUKDTSA-N 404.511 0.999 30 20 HCED COc1ccc(C(=O)NC[C@@]23CCCO[C@@H]2CCN(C(=O)C#CC(=O)O)C3)c(O)c1 1780323012 FSHQBKFAPOWMHG-DYESRHJHSA-N 416.430 0.616 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@]2(CCN(C(=O)c3cn(C(C)(C)C)nn3)C2)C1 1780351665 QBZQWBIHDAJCOF-QRWLVFNGSA-N 403.483 0.515 30 20 HCED CCSc1cccnc1C(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1780465321 LFEDZWMSWPBPGJ-LJQANCHMSA-N 403.460 0.725 30 20 HCED N#Cc1cccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CCO3)c1 1780597217 MPJXLPHQPIDJSQ-LJQANCHMSA-N 410.390 0.947 30 20 HCED O=C(COCCO)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C/N=C/c1ccco1)C2 1780764901 IFDVXOKROPEAJG-WXRQGEQDSA-N 407.467 0.221 30 20 HCED C[C@H](C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)N1CCN(C)CC1 1781096166 PPTIJWGUFUVXQY-HYBUGGRVSA-N 424.545 0.504 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)c2cnnn2C)CCO3)c(C#N)c1 1781175091 YOKZZNIBJFAGMA-NRFANRHFSA-N 424.461 0.382 30 20 HCED Cn1cnc(C(=O)N2CCO[C@]3(CCN(C(=O)c4n[nH]c5ccc(C#N)cc45)C3)C2)n1 1782194926 QXLQKJMWZAGMGX-FQEVSTJZSA-N 420.433 0.320 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)C[C@](C)(O)CC(=O)O)C2)C1 1783930033 TWFPSEZAGBQYAX-SZMVWBNQSA-N 402.513 0.387 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3ccc4ncnn4c3)C[C@@H]21 1784483749 KNMLNMHCOSOXKR-DKIMLUQUSA-N 411.462 0.361 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cn3ccncc3=O)C[C@@H]21 1784538757 CAWZAXRDTBESLA-XSWJXKHESA-N 408.524 0.177 30 20 HCED N=C(N)SCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C#Cc3ccccc3)[C@H]2C1 1786560395 USNJCOWAZFENEL-ULQDDVLXSA-N 400.504 0.644 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1 1787290378 SSCVFGLZNBLPME-SDADXPQNSA-N 403.435 0.124 30 20 HCED N#Cc1ccc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H](N)CN)[C@H]3C2)c(Cl)c1 1787426411 BXQRYDMJKLNUNI-CSFVBSKPSA-N 405.886 0.091 30 20 HCED CC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787513480 IBELSADARIFHMA-LQXZAOOASA-N 419.503 0.603 30 20 HCED NC(=O)NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=C/C(=O)c3cccs3)[C@H]2C1 1787513899 RALFUJDWGVNOAC-NYBAQFBVSA-N 420.491 0.135 30 20 HCED C[C@H](NC=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCc3cccc(C#N)c3)C[C@@H]21 1789876798 MABVJDGFTBKXAE-KNTRFNDTSA-N 412.490 0.605 30 20 HCED N#Cc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C#CC(=O)O)C[C@@H]32)c(Cl)c1 1790231517 YZGDLWHZCTXOFV-QRTARXTBSA-N 415.833 0.893 30 20 HCED 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30 20 HCED CC(=O)N1CCN(C(=O)OCc2ccccc2)[C@@]2(CCN(C(=O)C#CC(=O)O)C2)C1 1828895717 TWJSBVJEFRPIDJ-NRFANRHFSA-N 413.430 0.546 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@]2(C1)CN(C(=O)c1cnc(Cl)nc1)CCO2 1829514192 OLYQSFQLKODSPA-IBGZPJMESA-N 404.854 0.613 30 20 HCED C=CCCC(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@@H]3CCC(=O)NC3)CCO2)C1 1829944663 KDAOYGUZNSYRFO-VGSWGCGISA-N 421.538 0.961 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H]3CCCSC3)C2)C1 1831402881 UBNLSNMJIVOOLT-HLIPFELVSA-N 410.536 0.624 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)CCCn3ccnc3)C2)C1 1831437637 FDXYMDNFBIJOMO-NQIIRXRSSA-N 420.510 0.711 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CC(=O)OC(C)(C)C)CCO2)C1 1831994545 JGXLKGMWHVRWPR-ACJLOTCBSA-N 402.513 0.493 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)NC3)CC2)CC1 1833117871 CQUNZACZKNSFFP-IRXDYDNUSA-N 420.554 0.675 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(C)c(C)c3)CCO2)C1 1833294588 SMOLQPITLMCRMC-GCJKJVERSA-N 415.490 0.807 30 20 HCED CN1Cc2ccccc2C[C@@H]1C(=O)N1CCOC[C@@]2(CN(C(=O)CC#N)CCO2)C1 1834756246 QBJJSHXDIOLMAA-DENIHFKCSA-N 412.490 0.413 30 20 HCED CC(=O)CCC(=O)N1CCO[C@]2(COCCN(C(=O)C(C)(C)NCCC#N)C2)C1 1834867393 CXLWQJBTMNWSJL-HXUWFJFHSA-N 408.499 0.094 30 20 HCED C[C@@H]1CCc2c(C(=O)N3CCOC[C@]4(C3)CN(C(=O)C3(C#N)CC3)CCO4)n[nH]c21 1835342488 ZZTOYTKFTQNBJE-SZNDQCEHSA-N 413.478 0.833 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])o3)C2)C1 1835352405 YBHBTPUIWPYOAS-MEDHRJKHSA-N 418.406 0.961 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1835359251 ABTRSBJXAMFVNE-TYJLCGHTSA-N 408.455 0.276 30 20 HCED C#CCCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)CCN1CCOCC1)CCO2 1835449562 JGMUDKDCIOUEMJ-QFIPXVFZSA-N 421.538 0.359 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccns3)C2)C1 1835672757 MKHIMZXMRASWOS-IBGZPJMESA-N 421.523 0.495 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC1CCN(C2CCN(C(=O)CCNC(C)=O)CC2)CC1 1835717930 SQFBUEDOYPWISK-LJQANCHMSA-N 422.570 0.657 30 20 HCED C[C@H](CS(C)(=O)=O)C(=O)N1CCC(OC2CCN(C(=O)CCC#N)CC2)CC1 1836873914 HJICQEXJNBNUNL-OAHLLOKOSA-N 413.540 0.969 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3[nH]nnc3C)C2)C1 1837305890 LTBGDHTVBRAFMC-OXJNMPFZSA-N 403.483 0.952 30 20 HCED C[C@@H](S)C(=O)N1CCC(OC2CCN(C(=O)c3cc(O)nc(O)n3)CC2)CC1 1838081108 HXYUPFSMDFPOJZ-LLVKDONJSA-N 410.496 0.818 30 20 HCED O=C(C#CC1CC1)N1CCOC[C@@]2(C1)CN(C(=O)c1c(F)cncc1F)CCO2 1838161752 SWCXHSCXEIPDLR-HXUWFJFHSA-N 405.401 0.843 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)c3c(C)ccn3C)CCO2)C1 1838819744 VHIOTVANYVUMOD-VGSWGCGISA-N 419.522 0.977 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C)C2)C1 1839174127 HIIAOMHPWWYUDM-HXUWFJFHSA-N 421.450 0.562 30 20 HCED CCOCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc(F)c(C#N)c1)CCO2 1839186210 GWLIZAMQOFSELP-OAQYLSRUSA-N 419.453 0.733 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnccn3)C2)C1 1839222488 PJPYSTOVDMHSNO-JXFKEZNVSA-N 419.482 0.276 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@@H]4CCCO4)C3)C2)c1 1839422192 HSPZFSMNNUGJLF-RXVVDRJESA-N 417.437 0.946 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)C2)C1 1839811487 YBVNEYHZNBYKDP-IBGZPJMESA-N 403.391 0.307 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOCC3)C2)C1 1839840818 MRSNOOLJYFRDCH-WIYYLYMNSA-N 409.527 0.377 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)C1 1840157262 JTEJFRNFONBYIZ-GJRWTSMGSA-N 414.524 0.350 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nc(O)n4c3CCCC4)C2)C1 1840161332 LGODSZQLLYLYEJ-ORAYPTAESA-N 424.523 0.313 30 20 HCED C=CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C(=O)OC)nc3)C2)C1 1840173080 AUTXUKFNVCQWLW-FQEVSTJZSA-N 403.435 0.514 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCN3CCCC3)CCO2)C1 1840940574 RDTGMRVMZRRDNY-WIYYLYMNSA-N 424.542 0.730 30 20 HCED C#CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)C(O)O)C1 1841235710 HUESBHYPAXZTNQ-CQSZACIVSA-N 409.483 0.197 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)nn1C 1844835789 NGVHIIUAHRZHKP-PBGVMVHZSA-N 405.455 0.775 30 20 HCED COCCN1C(=O)/C(=C(/Nc2cccc(C#N)c2)[C@H](F)C(=O)OC)C(=O)NC1=S 9953063 IFEWQABALCKBIO-REQDGWNSSA-N 420.422 0.625 30 20 HCED CN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 56088724 AVYUZNQSNDNYCR-HNNXBMFYSA-N 416.525 0.324 30 20 HCED C=CCN(CCc1ccccc1)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 62364195 DLYCBGVGSHHNOV-UHFFFAOYSA-N 414.550 0.720 30 20 HCED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CCOC)nnc12 467827903 GGCYMLAQBSBSCE-ZDUSSCGKSA-N 417.491 0.836 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(CN(C)C)c3)CC2)c1C#N 472875101 ACTJSAUGMPHHLD-UHFFFAOYSA-N 409.494 0.949 30 20 HCED CCO[C@@H]1C[C@@](O)(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1(C)C 476867717 HOOXQDDDTWHZMH-VVFCZOMOSA-N 409.508 0.907 30 20 HCED CCOC(=O)c1c(NC(=O)c2cn([C@@H]3CCOC3)nn2)c(C#N)cn1CCOC 485565883 UGIMCKUUPBUYNR-CYBMUJFWSA-N 402.411 0.988 30 20 HCED CSCCCn1c(=C(C#N)C(=O)[C@H]2CCOC2)sc(=Cc2ccnn2C)c1=O 488991657 XWXSYQNEXPLXKI-ZDUSSCGKSA-N 418.544 0.505 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 491077444 FYEVBYADIVREMK-UHFFFAOYSA-N 424.505 0.874 30 20 HCED C=CCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 494637930 NYTPCWFMPXVPPK-UHFFFAOYSA-N 409.508 0.799 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(-c3ccncc3)cc2)CC1 506094221 GMHXRIJOJZWADK-UHFFFAOYSA-N 421.501 0.811 30 20 HCED Cn1cc(-c2nc([C@H]3COCCN3C(=O)CNC(=O)c3ccc(C#N)cc3)no2)cn1 508068088 CVDRZRWHZPFYTQ-MRXNPFEDSA-N 421.417 0.672 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc(OC)c(C(N)=O)c1 509247041 JOFMTYVVFBYSAW-UHFFFAOYSA-N 421.435 0.882 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C#N)o2)c1=O 524749092 BJEUMPUFQMSBRW-UHFFFAOYSA-N 412.471 0.536 30 20 HCED C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 531936343 NGFPOPPDSPVQPH-DZGCQCFKSA-N 411.505 0.427 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1C1CCN(C)CC1 534400764 AEDGJNRQWMCZQA-UHFFFAOYSA-N 418.469 0.704 30 20 HCED CCn1cnnc1-c1ccccc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N 542623874 XZWVOQAOTFYLBY-UHFFFAOYSA-N 407.438 0.829 30 20 HCED N#CC(C(=O)[C@@H]1CCOC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1CC(N)=O 547962306 TUXNWLMLKNEIEB-SECBINFHSA-N 423.903 0.219 30 20 HCED COCCOc1ccc(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1 551065764 XQRLZLFIWZCYMR-INIZCTEOSA-N 411.418 0.992 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC[C@](COC)(C(=O)OCC)C2)CC1 553669777 JMFBUNLKDMKNAW-NRFANRHFSA-N 409.527 0.961 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)CCc2c(C)nc(O)c(C#N)c2C)C1)C(N)=O 553674059 IWCPKMDHBDKZHD-UHFFFAOYSA-N 415.494 0.827 30 20 HCED CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NCCn1cnc(C#N)n1)C2 553958316 VEQOGUAOAMJWNG-UHFFFAOYSA-N 403.468 0.168 30 20 HCED CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)NCCn2cnc(C#N)n2)cc1 557809056 PYVBLMYPSUOOIJ-UHFFFAOYSA-N 405.484 0.477 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)N3CC[C@H](OC(F)F)C3)C2=O)cc1 561706368 DPGMMMMHUMNIFI-LSDHHAIUSA-N 406.389 0.615 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 566887524 VBPLGFIOCZEUHY-UHFFFAOYSA-N 418.410 1.405 30 20 HCED C[C@@H](NC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1)C(=O)N1CCCC[C@H]1C 580489393 HYSCCXHELIZMRM-ZIAGYGMSSA-N 409.450 0.983 30 20 HCED C[C@@H](CNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N(C)C1CC1 587857365 NDWSBOXQUYADTH-ZDUSSCGKSA-N 400.483 0.671 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(F)c1 610085850 SMPQIAGMWDNRCU-CYBMUJFWSA-N 405.473 0.464 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-n4cnnc4)cc3)CC2)o1 727517525 OQEDSJDVFRFXPA-UHFFFAOYSA-N 421.417 0.941 30 20 HCED Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732154866 VGRADDVMVZCMLM-UHHPSXQGSA-N 413.413 0.547 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 732157024 UBIHJUKWFRXRQG-VLGSPTGOSA-N 422.438 0.523 30 20 HCED N#Cc1cccc(NC(=O)C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 733050586 ZXRDWMPPESGHPD-UHFFFAOYSA-N 400.407 0.877 30 20 HCED Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CN2C(=O)C(=O)N(C)C2=O)cc1 733565410 SLSKZVDNUXDQMT-CYBMUJFWSA-N 400.391 0.594 30 20 HCED COC(=O)c1c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n[nH]c1C 734003202 GUGJENLROCLVEY-OAHLLOKOSA-N 403.464 0.903 30 20 HCED C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1 743914861 AXXXMDXBGWGOKU-UHFFFAOYSA-N 412.421 0.989 30 20 HCED C#CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 743970343 ZQUJLALIAJECCF-UHFFFAOYSA-N 422.507 0.099 30 20 HCED COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCc1cccc(C#N)c1 746553193 AERJKQAVWACIGV-UHFFFAOYSA-N 403.416 0.687 30 20 HCED C[C@@H](OC(=O)Cn1cc(S(N)(=O)=O)cn1)C(=O)N(CCC#N)c1ccc(F)cc1 748425406 CBOFUKSYHXRWAI-GFCCVEGCSA-N 423.426 0.548 30 20 HCED C#CCN1CCN(C(=O)CN2CCN(C(=O)c3cccc(OC)c3OC)CC2)CC1 748817409 XJVBZZXXWVNPLJ-UHFFFAOYSA-N 414.506 0.239 30 20 HCED CON(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 749628253 HTPBOANROWEWIQ-UHFFFAOYSA-N 422.445 0.874 30 20 HCED COCCNS(=O)(=O)c1cccc(CNc2cccc(S(N)(=O)=O)c2C#N)c1 755002890 CEQYXARRCJBZLF-UHFFFAOYSA-N 424.504 0.742 30 20 HCED CCn1cc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)ccc1=O 755538866 VPMZRBVUSBCOTR-TZMCWYRMSA-N 403.439 0.682 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3nc(COC)nn3C2)ccc1F 758328868 UWIHGCCSSWQKEX-CYBMUJFWSA-N 423.470 0.773 30 20 HCED C#CCCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 759051892 FAIAHTMENXIOIB-UHFFFAOYSA-N 423.491 0.574 30 20 HCED COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1CCNC(=O)C1 761113605 IXDVMMJUTJYLFD-ZDUSSCGKSA-N 412.402 0.436 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(CCO)CC2)CC1 770533355 BUGCMFRFCPUEKA-UHFFFAOYSA-N 421.475 0.097 30 20 HCED CCCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc([N+](=O)[O-])c1 771897398 FCJFLZDYEPFUBT-UHFFFAOYSA-N 409.424 0.475 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1F 774832062 ZWCIIZJTCLGLFG-ZFWWWQNUSA-N 413.471 0.656 30 20 HCED C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@H]1CCCO1 775325657 DDPWEIUZCIZSDT-RTBURBONSA-N 419.503 0.450 30 20 HCED CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 776139131 PYOWUNLBQGCRTH-NSHDSACASA-N 405.523 0.897 30 20 HCED C[C@@H](C(=O)NS(=O)(=O)c1cccc(F)c1C#N)N1C(=O)NC2(CCCC2)C1=O 781597848 NGDSJKASRLKMLP-JTQLQIEISA-N 408.411 0.755 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCC3)cc1 783347600 KHGVMDATDSKWAR-UHFFFAOYSA-N 417.491 0.937 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cc2cc[nH]n2)CC1 787782331 AQHSHWHZRYVPFZ-UHFFFAOYSA-N 410.390 0.964 30 20 HCED Cn1cc([C@@H]2CSCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 791378103 ONVXWCHUTQSBDZ-AWEZNQCLSA-N 405.505 0.775 30 20 HCED COC(=O)[C@@H]1CCN2C(=O)N([C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C(=O)[C@@H]2C1 794796635 VOFDWQZIWSRXMC-YIYPIFLZSA-N 406.439 0.961 30 20 HCED COCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2c(C)cnn2C)c1=O 795187294 OOKBRGUNQNJMNE-UHFFFAOYSA-N 423.498 0.740 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(F)cc(C(=O)OC)c1F)[C@H]1CCS(=O)(=O)C1 797054715 KQWZNFWXBDYDCZ-NSHDSACASA-N 414.386 0.339 30 20 HCED Cc1cc(C)nc(-n2nc(C)cc2NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)n1 798742810 URJOQNCKZKRRBG-ZDUSSCGKSA-N 409.410 0.794 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1 804555395 OTGWDPRSEASVCO-LIRRHRJNSA-N 418.475 0.191 30 20 HCED N#Cc1ncn(CCNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)n1 804620404 VVRGTRBGSABMQP-UHFFFAOYSA-N 401.386 0.984 30 20 HCED C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 804941944 HSBZGLPSTFOBCD-UHFFFAOYSA-N 420.534 0.584 30 20 HCED C[C@H]1CN(C(=O)C(=O)NC2CCN(CC#N)CC2)[C@H](C)CN1C(=O)OC(C)(C)C 805062579 YWFFSNDEFZOUJW-CABCVRRESA-N 407.515 0.947 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 805078496 ZPERVHVLXICFFT-UHFFFAOYSA-N 410.452 0.320 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C 807536889 SZWHGUZSMJNLBN-MRXNPFEDSA-N 407.492 0.810 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCCN(C(=O)Cc2cccc(F)c2)CC1)[C@@H]1CCCO1 809306073 MYEUSYZOLVSZSB-MOPGFXCFSA-N 415.465 0.726 30 20 HCED CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc21 815550583 UPHXBNZKPVYGNY-JTQLQIEISA-N 408.361 0.902 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 918354010 WGHSUNHOZQRPMD-UHFFFAOYSA-N 401.448 0.326 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3)nc(O)n4C)CC2)o1 920699719 RUDQYOMXLGQUCP-UHFFFAOYSA-N 424.417 0.953 30 20 HCED C#CCC1(C(=O)N2C[C@H](O)[C@@H](N(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1049135869 ZIQRVTOSYCDUJD-LYPURALISA-N 402.491 0.260 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(CC(=O)NC)no1 1096147584 GOYWNYDIEBVLEB-FACIQBDNSA-N 403.483 0.561 30 20 HCED N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1256280217 VBZCKGVDCMMKOL-IRXDYDNUSA-N 410.927 0.826 30 20 HCED CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1301760719 TXMHKOVQSDIQDT-UHFFFAOYSA-N 421.465 0.574 30 20 HCED Cc1nccnc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1304717459 VMYSXRQVQBELAY-TZMCWYRMSA-N 406.516 0.968 30 20 HCED CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CC2)nnc1N1CCO[C@@H](C#N)C1 1314628724 KJFVDKZERLSZRY-DLBZAZTESA-N 401.515 0.827 30 20 HCED CS(=O)(=O)[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1320532075 QONLOHDCWBPUNB-HZPDHXFCSA-N 418.475 0.799 30 20 HCED COCCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1322503176 HUAMWFIMQMAQJP-SJLPKXTDSA-N 419.503 0.963 30 20 HCED N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1337238981 KMDPMPCCYGPYOQ-GDBMZVCRSA-N 402.469 0.853 30 20 HCED CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(N3CCCS3(=O)=O)CC2)CC1 1460233628 LQQHTGFTTQJJIE-SFHVURJKSA-N 411.572 0.179 30 20 HCED CN(C)S(=O)(=O)NCC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1464746544 LADZZQCGJRQERW-UHFFFAOYSA-N 402.480 0.151 30 20 HCED C[C@@]1(CO)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]1(C)CO 1470032728 KMEDVFFQOKKYPS-UIFIKXQLSA-N 400.479 0.682 30 20 HCED CN(C)S(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1517029208 MPRRPLNBBINECN-KRWDZBQOSA-N 418.523 0.683 30 20 HCED CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1552385089 ZZFLLVTWDJVGFY-GOSISDBHSA-N 423.543 0.583 30 20 HCED N#Cc1cn(CCNC(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)c(=O)nc1O 1631573058 MQWJBWUNHLYOHF-HNNXBMFYSA-N 400.414 0.928 30 20 HCED CCN1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1695840001 OBQXZBJULLNNHY-CPUCHLNUSA-N 413.523 0.815 30 20 HCED Cc1nn(C)c(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1742654274 OYLOYRNNIKFSOX-SJKOYZFVSA-N 424.506 0.729 30 20 HCED CN(C)S(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747603039 DOAJQYTUJXFBOK-HNNXBMFYSA-N 418.527 0.341 30 20 HCED Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)cn1 1767450828 KJDNPWZCVBUOEJ-OAHLLOKOSA-N 418.527 0.700 30 20 HCED CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CCO1 1767712459 JLRFLWMHCKLWQG-SFHVURJKSA-N 420.477 0.858 30 20 HCED O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)C#CC1CC1)C2)c1cc(O)nc(O)n1 1778015197 LIYNWUYWXVQNRZ-FOIQADDNSA-N 400.435 0.429 30 20 HCED 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30 20 HCED O=C(Cn1cnnn1)N1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 480591002 VCGYZSBMKJYTIQ-UHFFFAOYSA-N 416.445 0.844 30 20 HCED C=C[C@@H](C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 482808836 BFOOYZTZHNKXBY-OAHLLOKOSA-N 409.508 0.999 30 20 HCED COc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1OCC(N)=O 486009726 RJYKBWVMBGDWKH-QGZVFWFLSA-N 422.441 0.962 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 490045289 AKRRBTMJNYXTIB-OAHLLOKOSA-N 411.447 0.986 30 20 HCED CC(C)N1C(=O)CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1(C)C 491147350 OEYWCYPWBINSPP-UHFFFAOYSA-N 423.477 0.994 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(COC(C)C)cc2)CC1 491257809 GDBXTPMSFSGLDR-UHFFFAOYSA-N 402.495 0.997 30 20 HCED CC#CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 492208155 NCMMXQLTASBZLM-UHFFFAOYSA-N 409.464 0.136 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC#N)CCN2CCOCC2)c1 499337656 OEPSJAQXXSSARJ-UHFFFAOYSA-N 406.508 0.839 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)CCC#N)CC2)cc1 502327066 RMTUBGGYVNCTBT-UHFFFAOYSA-N 402.498 0.092 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2nccnc2C)CC1 508891970 BCJCOOWHPFROQR-CQSZACIVSA-N 406.516 0.499 30 20 HCED CNS(=O)(=O)c1ccc(NCCOC)c(NS(=O)(=O)c2ccc(C#N)o2)c1 519023702 XRSDGZQYXOICFS-UHFFFAOYSA-N 414.465 0.918 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1CC(N)=O 520970580 RNERIIPJHMVLSH-UHFFFAOYSA-N 416.478 0.262 30 20 HCED COCCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(C#N)nc2)c1 522753537 RAEOWNQCBYQWDK-UHFFFAOYSA-N 410.477 0.356 30 20 HCED CCOC(=O)C1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCC1 530682795 JBTMBRPLXMAFDZ-UHFFFAOYSA-N 410.434 0.986 30 20 HCED C=CC[C@@H](CO)CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 538220863 ACDWHFURRGQOBT-MRXNPFEDSA-N 409.508 0.454 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)n1 540277478 PUOSGCHHWIGOOQ-SFHVURJKSA-N 406.512 0.598 30 20 HCED N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H](S(N)(=O)=O)C2)CC1 541580339 DZRVYRIIOHNGRH-ROUUACIJSA-N 423.514 0.287 30 20 HCED COCCOc1ccc(C#N)cc1NCC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1 542223969 GHGPKMCFANSADA-CYBMUJFWSA-N 410.452 0.008 30 20 HCED COC(=O)CN(CCN1CCN(C)CC1)S(=O)(=O)c1c(F)cc(C#N)cc1F 546767574 QALGCGSWRZGRJN-UHFFFAOYSA-N 416.450 0.248 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 552551042 YSVRYLQSFQRTLM-UKRRQHHQSA-N 414.491 1.003 30 20 HCED C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 558986391 KYOUHVBWEHZNFT-MRXNPFEDSA-N 409.454 0.448 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)n2)c(F)c1 559057781 SXFALDUSAAFDEH-OAHLLOKOSA-N 410.409 1.139 30 20 HCED CCN(CC)C(=O)N1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 564407037 FHBVNHOZUKOGHW-UHFFFAOYSA-N 407.496 0.443 30 20 HCED C=CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)CC=C)cc1 569616508 XWBIMGFTGVLILH-KBPBESRZSA-N 404.510 0.117 30 20 HCED C[C@@H]1CN(C[C@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 572768713 QLRCCJLLYZPWCC-JFIYKMOQSA-N 420.535 0.937 30 20 HCED N#Cc1cc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)ccc1Br 574181646 LTBYOLCJNXAANL-UHFFFAOYSA-N 407.224 0.915 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccccc3OC)CC2)C1=O 582435334 KMBKBSMKLNYRDN-UHFFFAOYSA-N 400.435 0.316 30 20 HCED Cc1ccsc1C=c1sc(=C(C#N)C(=O)N2CCOCC2)n(C2CC2)c1=O 590997693 VFENATCTXIIWJZ-UHFFFAOYSA-N 401.513 0.977 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 604167514 FITQFJJLYKHGIN-UHFFFAOYSA-N 416.445 0.880 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)nc1 604227087 RZRHGNHZRIXJRA-UHFFFAOYSA-N 406.402 0.571 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)Cc1cccnc1 604530107 ZVIZPUSISJROJG-UHFFFAOYSA-N 417.491 0.997 30 20 HCED CC[C@@H]1CO[C@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 610863152 SDIJSQVALWAMJN-SJLPKXTDSA-N 420.535 0.890 30 20 HCED N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 618880097 BTFBRGPAHROEHZ-GOSISDBHSA-N 422.445 0.356 30 20 HCED N#CCCN(CCC#N)C(=O)COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(F)cc1 725950762 GRJGHFUCZIHOEX-IAGOWNOFSA-N 416.409 0.600 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 728534202 FUXAAYBYJMTPAV-UHFFFAOYSA-N 420.535 0.224 30 20 HCED COc1ccc(C(=O)OCCn2ncc(C#N)c2N)cc1S(=O)(=O)N1CCCC1 731771542 JRXYCINLPRHNJU-UHFFFAOYSA-N 419.463 0.987 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)CC1 735922510 DRWUVJLYCSWFBL-UHFFFAOYSA-N 401.492 0.318 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1 743883405 HJOJFCUSMFXGSN-UHFFFAOYSA-N 418.469 0.883 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cncc(Br)c2)CC1 747279406 WKQTYJDPXLRCKU-UHFFFAOYSA-N 415.313 0.290 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)cc1 748745847 VZNCVISVYCFMTH-INIZCTEOSA-N 409.533 0.980 30 20 HCED O=C(NCC1CC1)[C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 748756033 ZLUISHPLWMKURQ-AWEZNQCLSA-N 422.532 0.543 30 20 HCED COC[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C1CC1 750303607 XLOFBRPXWTWEDB-ZESIPNTPSA-N 422.507 0.979 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(F)cc2C)c1=O 758054630 MDWJHZDCLZQGBC-UHFFFAOYSA-N 411.458 0.352 30 20 HCED C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 758082682 FMJCHBFINRKMAD-UHFFFAOYSA-N 421.457 0.991 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)nn(C)c2C)c(=O)n1Cc1ccon1 765145378 PSXCEXCKOKBTGX-UHFFFAOYSA-N 424.486 0.102 30 20 HCED CN(CCOC(=O)C(C)(C)Oc1ccc(C#N)cc1)S(=O)(=O)N1CCOCC1 766362344 SJRBCOHZEFQVFN-UHFFFAOYSA-N 411.480 0.768 30 20 HCED CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1)c1cc[nH]n1 772268487 VFRIBZSVJWUMOS-INIZCTEOSA-N 420.514 0.320 30 20 HCED C#Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2nnn(C)n2)c1 783024468 LCAXNWQSUJYYPX-HNNXBMFYSA-N 409.475 0.992 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(F)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 783479056 IDISJHPLMBDQJW-LBPRGKRZSA-N 410.423 0.590 30 20 HCED CC[C@@H](NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 787039152 QCDXHOMYUCTVCM-LSDHHAIUSA-N 422.445 0.410 30 20 HCED CCCN1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 788555063 IJUYWQWQDQNEBV-UHFFFAOYSA-N 406.508 0.976 30 20 HCED Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCN(c2nccnc2C#N)C[C@H]1C 797967125 FEVFTYPDGKEKKN-CQSZACIVSA-N 417.539 0.917 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCn1cnc(C#N)n1 804621431 VKTPBLOANABZIW-CQSZACIVSA-N 415.479 0.419 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 807098064 VMLAYLSQNUORGB-LSDHHAIUSA-N 403.501 0.666 30 20 HCED C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 812104687 PJMMQEBEFUSNNE-INIZCTEOSA-N 406.512 0.413 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCC3)c2=O)cn1 814252784 JALVCXVMNXQMEP-UHFFFAOYSA-N 415.519 0.505 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCNC(=O)c1ccc(Cl)cc1 900412406 FLBWEUHVONSWAZ-UHFFFAOYSA-N 420.878 0.925 30 20 HCED N#Cc1c(COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cn2ccccc12 914651370 HDJMBGYEVSCTJA-HIFRSBDPSA-N 401.444 0.890 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)c1 917489732 OSXDARZVSLCTRX-SFHVURJKSA-N 407.405 0.982 30 20 HCED CCN1CCN(C(=O)[C@@H](C)OC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 919316041 ROQUKFQIEWKKGW-OAHLLOKOSA-N 407.492 0.569 30 20 HCED Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1NC(=O)c1ccc(C#N)[nH]1 993620817 SPSXKCYRPVRRDI-WWQSBEOESA-N 420.473 0.768 30 20 HCED C#CCNS(=O)(=O)N1CCN(C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 1116402182 ZEQQSVWWXSJMSC-KRWDZBQOSA-N 405.524 0.099 30 20 HCED CC(C)(C#N)CS(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1208035273 VWPYZKHPQXGSDT-UHFFFAOYSA-N 401.510 0.677 30 20 HCED CCN(C)C(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1295055256 HYUXTERLLMSJPM-ZDUSSCGKSA-N 411.532 0.497 30 20 HCED C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(F)(F)F 1317943246 NXEOBFFUBGOMMQ-VIFPVBQESA-N 406.386 0.298 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3nc4n(c3=O)CCCCC4)C2=O)cc1 1337453273 YQFXEQMSQMGUCC-QGZVFWFLSA-N 408.462 0.955 30 20 HCED COCC(COC)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 1460882213 UZUVEPNCQNHARG-UHFFFAOYSA-N 414.510 0.956 30 20 HCED N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCN2CCCO)cc1 1555988191 UHVFMKPJVIBFRW-MOPGFXCFSA-N 423.521 0.975 30 20 HCED N#CC[C@@]1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1570695976 YTUNYFPCJGDORE-GFCCVEGCSA-N 408.299 0.666 30 20 HCED CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1([S@](C)=O)CC1 1608579767 PWGXYYAZLOOBGS-HOLBHBGLSA-N 419.555 0.504 30 20 HCED CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 1618706413 XCZRUZZRVNPKFH-OAHLLOKOSA-N 417.491 0.590 30 20 HCED CNS(=O)(=O)c1ccc(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)s1 1666175634 JWCSSLXSEKYJTQ-UHFFFAOYSA-N 400.482 0.645 30 20 HCED CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCn1cc(CO)nn1 1723337645 GYNZLGAXVGIOET-GOSISDBHSA-N 413.530 0.827 30 20 HCED Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)N1CCOCC1 1742836151 WABJEAKPRVLMIT-HZPDHXFCSA-N 411.514 0.684 30 20 HCED Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1762612723 PBKJDDOJLUUKIM-QGZVFWFLSA-N 415.523 0.742 30 20 HCED CS[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1770426145 NZZCHRTYEYXRJJ-BFHYXJOUSA-N 416.573 0.958 30 20 HCED Cn1c(=O)n(CC(=O)N2CC[C@@]3(CN(C(=O)C#CC4CC4)CCO3)C2)c2ccccc21 1778161178 FAIHAIXNKDCBBN-QHCPKHFHSA-N 422.485 0.583 30 20 HCED O=C(/C=C\C(=O)N1CC[C@@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1)NC1CC1 1778828471 NIFSYACOBBETRL-IDWGIVCRSA-N 407.470 0.703 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)[C@H]1CC[C@H](O)CC1)CCO2 1779106992 QORGAGDLVBGJJZ-YWEAJVMZSA-N 423.510 0.896 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1CCCOC1)CCO2 1779109520 ONMAALIMJYOVAO-HVHMTYQGSA-N 409.483 0.772 30 20 HCED CCNC(=O)N[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)C1(C#N)CC1)C2 1779316378 ALGSEOBVMLGDNZ-BXTJHSDWSA-N 405.499 0.512 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)c1 1780334538 FFPOVIFAWHWMAC-ZLISCHMWSA-N 415.450 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C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccc4sccc4c3=O)C2)C1 1839807352 UQNASGOWPLBXMM-FQEVSTJZSA-N 415.471 0.153 30 20 HCED C#CC(=O)N1CCO[C@]2(COCCN(C(=O)c3nc4ccc(Cl)cn4c3C)C2)C1 1839810356 SJJXXPGCWZRYLF-HXUWFJFHSA-N 416.865 0.999 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1839840519 HIXQMUCMRKKCCD-UWJYYQICSA-N 403.479 0.517 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)CCN3CCOC3=O)C2)C1 1839842310 SCXGTZAAQSKFHA-OXQOHEQNSA-N 409.483 0.497 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1839844795 VIPBSFHCGSMYKZ-JQVVWYNYSA-N 422.570 0.291 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@]2(COCCN(C(=O)CCCC(F)(F)F)C2)C1 1840041023 LKKWSPVLEQAQNG-INIZCTEOSA-N 406.357 0.263 30 20 HCED Cc1ccc(C)c(C(=O)N2CCOC[C@@]3(CN(C(=O)C#CC(=O)O)CCO3)C2)c1 1840044095 KQFLNCIAONKBTA-OAQYLSRUSA-N 400.431 0.461 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)C(=O)Nc3cccnc3)C2)C1 1840168698 MLPQWJKQZKBLOY-OAQYLSRUSA-N 414.462 0.280 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H](C)n3cnnn3)CCO2)C1 1840477365 KKJBADWJFLUQID-OXQOHEQNSA-N 420.514 0.683 30 20 HCED C[Si](C)(C)C#CCOC(=O)CCC(=O)OCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1848350171 XXEYJCKMAAVOAO-DTDBQYNISA-N 419.506 0.672 30 20 HCED CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)NCCC#N 11546009 QLGCLEGPDDZNCQ-AWEZNQCLSA-N 406.464 0.857 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)C1=O 53270883 FBEMJUZRZMYKBU-CYBMUJFWSA-N 400.435 0.808 30 20 HCED C#CCNC(=O)CN1CCCN(c2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 301383105 AZVUGDXSQIJFPB-UHFFFAOYSA-N 405.462 0.783 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1=O 440253069 GNKHFTXTTSQWIB-GFCCVEGCSA-N 411.256 0.332 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 442014477 UFLAZSXTHPJNST-CHWSQXEVSA-N 415.475 0.189 30 20 HCED C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 442016484 YODQPSKMIAGCQL-OLZOCXBDSA-N 415.475 0.046 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H](S(C)(=O)=O)C3)CC2)o1 444792592 DWZPDAXUGBKMTR-HNNXBMFYSA-N 409.512 0.402 30 20 HCED C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 447227049 ONORWQRMDHUNPB-LBPRGKRZSA-N 403.870 0.961 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1 465385345 APQPONYVAORUTA-UGSOOPFHSA-N 406.464 0.259 30 20 HCED C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1nc2c(s1)COCC2 465416809 LFZAKXASLDFNIY-NSHDSACASA-N 413.463 0.553 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)C1=O 467664748 XDBQASZLQYPASE-HZPDHXFCSA-N 412.446 0.162 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 474100465 XEIKBHJLXNWGAG-GASCZTMLSA-N 424.461 0.759 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cn1 475807225 CTSLXEUKTAJKOK-UHFFFAOYSA-N 418.460 0.925 30 20 HCED CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1 476284464 PUOREGAYXOTCFC-KSZLIROESA-N 418.519 0.883 30 20 HCED COC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 484345236 VLZVZMDSKZFICR-MRXNPFEDSA-N 409.464 0.263 30 20 HCED Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CCN(c2cccc(F)c2C#N)CC1 485702252 RMDHWWNLEQDAJU-UHFFFAOYSA-N 405.455 0.575 30 20 HCED CS(=O)(=O)N1CC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 486490359 SLUODNPKHKLNSZ-SJORKVTESA-N 419.507 0.240 30 20 HCED C[S@@](=O)c1nncn1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 487251724 NZNYQUCUDLTIEK-GDLZYMKVSA-N 415.435 0.484 30 20 HCED COC(=O)C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 488247397 JGIMYSQFMDCPEN-IRXDYDNUSA-N 400.435 0.633 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2C)CC1 489196432 NGTGDBHOSDXCST-UHFFFAOYSA-N 402.545 0.484 30 20 HCED Cn1c(=C(C#N)C(=O)NC[C@H]2CCCO2)sc(=Cc2ccc(F)c(F)c2)c1=O 489625882 VMQGCQSXZSVXRS-GFCCVEGCSA-N 405.426 0.523 30 20 HCED COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCC#Cc2ccccc2)cc1 490208603 XCGAAJUOIHMBSK-UHFFFAOYSA-N 407.426 0.625 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 493939228 KQCRKACFFUWQHN-GFCCVEGCSA-N 413.463 0.665 30 20 HCED CCCCN(C(=O)CN1CCN(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 497487143 XRXMLMMWCDDGIG-GOSISDBHSA-N 419.551 0.891 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CCC(=O)OC)C2=O)cc1 501646364 LDQASMZKSLAHLF-HNNXBMFYSA-N 409.464 0.045 30 20 HCED Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccon2)c1=O 505667534 VUMOPKITFZJFAL-UHFFFAOYSA-N 412.475 0.016 30 20 HCED C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)CCCS(=O)(=O)N(C)C 507369202 SAESZIMYZHMLDG-UHFFFAOYSA-N 413.525 0.971 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ncc(F)cn2)CC1 508829484 ZIHPXLOSKIOMDA-GFCCVEGCSA-N 410.479 0.330 30 20 HCED C[C@H](CC#N)N(C)S(=O)(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 510230032 SJTVPLNUEGLWNV-KDOFPFPSSA-N 422.507 0.886 30 20 HCED N#C[C@H]1CN(C(=O)NCCNC(=O)c2cnccn2)C[C@@]12C(=O)Nc1ccccc12 513993013 XGHJHLJAFHNVEU-RNODOKPDSA-N 405.418 0.261 30 20 HCED COCCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc2c(O)nc(=O)n(C)c2[nH]1 524286921 IRDWXDNNPOBDAV-UHFFFAOYSA-N 410.434 0.842 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)c1 536023210 VCZNZQYXYUFXNS-UHFFFAOYSA-N 415.537 0.695 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCSC[C@@H]3C#N)c2)CC1 537130600 QNNPPZGOGUJHJE-INIZCTEOSA-N 422.532 0.621 30 20 HCED N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(F)c1 537182366 JWVFZAMFSKBPHQ-IAQYHMDHSA-N 406.432 0.851 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)CC1 550789770 AOPDUFRWDRNVNY-KDURUIRLSA-N 421.586 0.307 30 20 HCED Cc1ccc(NC(=O)C(=O)NCC(=O)NCC#N)cc1S(=O)(=O)C1CCCC1 551263607 BYYAKFYIBMXUFK-UHFFFAOYSA-N 406.464 0.406 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 555096072 KWVAAOAITCVSHA-NSHDSACASA-N 403.482 0.111 30 20 HCED COc1c(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cccc1C(N)=O 556327409 VAHMEZYZNNWARO-ZDUSSCGKSA-N 409.402 0.679 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)Nc3cccc(OCC(N)=O)c3)C2)nc1 556327731 VKPOUIDEYGIYOH-INIZCTEOSA-N 409.402 0.436 30 20 HCED CN1CCc2ccc(NC(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)cc2C1=O 556389787 GAEGCZXCKSPTIR-UHFFFAOYSA-N 418.457 0.869 30 20 HCED N#Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1F 562129257 GDHAWKSYHBIIEQ-UHFFFAOYSA-N 421.410 0.298 30 20 HCED COCCN(C)S(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2F)C1 562326512 QBXVWAOPQVTULZ-AWEZNQCLSA-N 419.500 0.758 30 20 HCED O=C(NCC#CCO)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 564298962 WSKLMMWKLCIJFB-UHFFFAOYSA-N 421.519 0.423 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)n1 568335094 QDTMKQWLHXZRJN-UHFFFAOYSA-N 405.422 0.145 30 20 HCED COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 568890394 JUVDZKIUCWDHIH-KRWDZBQOSA-N 419.501 0.867 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 574611723 DHCUNJMSNGJXIA-TZMCWYRMSA-N 405.398 0.856 30 20 HCED C=CCn1c(Cc2noc(-c3cc([N+](=O)[O-])nn3C)n2)nnc1N1CCOCC1 575024485 DPZQWSNZMHVLFX-UHFFFAOYSA-N 401.387 0.583 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1 582518434 RXNWAJTYLYBXGE-MAUKXSAKSA-N 416.503 0.838 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)CC2)nc1 587648205 UBUKYUSLCBYSMU-DLBZAZTESA-N 410.478 0.308 30 20 HCED COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(c3ncccc3C#N)CC1)C2 588036519 XRZMHPFUHGSUNU-KRWDZBQOSA-N 421.457 0.730 30 20 HCED Cn1c(=O)c2ccc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)nc2n(C)c1=O 608950866 DUIGRLARYPDZCJ-UHFFFAOYSA-N 419.445 0.298 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 726203559 BQUFMZKQUFENEO-CQSZACIVSA-N 413.434 0.970 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)NCCN2CCN(C(C)=O)CC2)ccc1F 729318175 HSHICVSMDCFJJK-UHFFFAOYSA-N 412.487 0.184 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(CC(=O)OCCn3ncc(C#N)c3N)C2=O)cc1 731773238 MMARGSYIAAQISE-IBGZPJMESA-N 412.406 0.356 30 20 HCED COC(=O)CCCS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 734088672 JUEIEJUOAZXPGZ-UHFFFAOYSA-N 416.477 0.777 30 20 HCED CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCOCC2)c1 739403610 XOJFQZDVKASFDX-OAHLLOKOSA-N 401.510 0.208 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 742642515 PSYWTOBBPADMRN-UHFFFAOYSA-N 419.551 0.954 30 20 HCED C=CCNC(=O)[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 744873657 FMERQNSOGDMYJY-GFCCVEGCSA-N 416.521 0.989 30 20 HCED CC(C)C[C@@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 747018966 SLXHJCXGYJCMBH-HDHZYAPQSA-N 424.523 0.961 30 20 HCED CC(C)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)S(C)(=O)=O 748739933 LSDIXVYYACNTHA-UHFFFAOYSA-N 401.510 0.445 30 20 HCED Cc1ccc(-n2nc(C)cc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nn1 751191570 TXDFQHWVJZAYOJ-UHFFFAOYSA-N 411.447 0.956 30 20 HCED Cc1cc(=O)n(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 755550475 KDMZUZNTXKJYSK-GXTWGEPZSA-N 403.439 0.508 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 756893579 VQIAXBQXWKMNGX-NJZAAPMLSA-N 421.479 0.592 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 761031816 DDYTWPTZZQHERQ-IAGOWNOFSA-N 404.536 0.828 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 763681174 MAHLZDVGLCLMOJ-UHFFFAOYSA-N 401.510 0.627 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769803591 XBQHFYLDYVKEJW-ACJLOTCBSA-N 406.464 0.823 30 20 HCED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1c(F)cccc1Cl 771892239 OUGUVQFKZCRUQR-UHFFFAOYSA-N 402.835 0.969 30 20 HCED CCOC(=O)CON=C(C(=O)Nc1cccc(CS(N)(=O)=O)c1)c1cc[nH]n1 772153183 TZKWNQBFSNYGPB-UHFFFAOYSA-N 409.424 0.121 30 20 HCED C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCCO1 775337747 CIQIWYDTSDUIEL-QSPRXWTASA-N 412.895 0.761 30 20 HCED C#C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)[C@H]1CCCO1 776160673 DLKRFOGBWLBRDN-DLBZAZTESA-N 408.476 0.754 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)cc1 777772336 ZOUURMTZULOTDD-HNNXBMFYSA-N 407.492 0.308 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc(C#N)cn2)CC1 780327008 WJQPHSZXROQYRN-UHFFFAOYSA-N 402.455 0.832 30 20 HCED Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1-c1cccc(C#N)c1 780366335 RJXSFMXTCWPORI-MRXNPFEDSA-N 411.443 0.632 30 20 HCED C[C@H](CC(=O)NS(=O)(=O)C[C@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 781511674 ORGBUQHFNOTMRK-VXGBXAGGSA-N 415.493 0.129 30 20 HCED COc1ccc(C(=O)OCC(=O)NC2(C#N)CCC2)cc1S(=O)(=O)NC1CC1 784200248 MHKFNKIHWYQFRE-UHFFFAOYSA-N 407.448 0.855 30 20 HCED C[C@@H]1C[C@H](C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CO1 784269593 IXYBHVBNLULVJN-ZBFHGGJFSA-N 421.475 0.359 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@]2(C)CO)c1 784930474 YXVDDXMKHANEDB-DSPRMBBKSA-N 422.507 0.811 30 20 HCED CC(C)CN1C[C@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCN2C1=O 787211863 STAVOGYWUCLZMZ-UVTIVQHFSA-N 404.471 0.300 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O 787776602 JMPBJLQDIVQPJP-SFHVURJKSA-N 420.473 0.789 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NCc2cccc(C(=O)NC)c2)n1 787863042 LCYCIDBGLSACGG-UHFFFAOYSA-N 411.462 0.167 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(CC(=O)NC)cc2)n1 789794031 VQIIPCFABGRSRP-UHFFFAOYSA-N 411.462 0.419 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)n1 793902780 SILBJFVNZUIERS-QZTJIDSGSA-N 403.527 0.728 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)OC 797762992 ZUWJBFPLWHDBIE-ZDUSSCGKSA-N 420.871 0.996 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccccc1OCCN1CCOCC1)[C@H]1CCCO1 803216846 TXKLGQWNVAXWGL-UYAOXDASSA-N 415.490 0.311 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](N1CCOCC1)C(F)(F)F 806781027 UFJPSJAVVRDTRD-VEOJIXDASA-N 405.377 0.075 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)C1=O 807481410 KSBYLDQHVRXOPT-LSDHHAIUSA-N 408.499 0.651 30 20 HCED O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=C1CCS(=O)(=O)C1 912775479 JACBOAFQWBGIJT-UHFFFAOYSA-N 418.453 0.202 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C#N)cc1 917155449 BSHSCVAVRSRHKH-UHFFFAOYSA-N 401.448 0.662 30 20 HCED COC(=O)[C@@H]1CN(C(=O)C(=O)NCCNc2ncccc2C#N)c2ccccc2O1 918269113 KILOINRCYJFYTQ-INIZCTEOSA-N 409.402 0.449 30 20 HCED N#CC[C@@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1171911811 YEMJBUHJWJZRLK-SFHVURJKSA-N 420.535 0.949 30 20 HCED CCOC(=O)Cn1nc(C)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1277828987 WYVKHOGCRKAVIQ-UHFFFAOYSA-N 405.436 0.432 30 20 HCED C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1286630133 QIVSRDRHUFDYTJ-KGLIPLIRSA-N 419.935 0.836 30 20 HCED CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1287786699 KSBGTWVAQJKEPG-SQNIBIBYSA-N 404.515 0.868 30 20 HCED CC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1305304160 BKAKPUNULXUSIU-KEYYUXOJSA-N 414.532 0.510 30 20 HCED CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314537468 YMZAZISTKMMGHI-ZBFHGGJFSA-N 408.528 0.393 30 20 HCED Cn1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1314920659 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C=CC[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C(C)=O)[nH]n3)CCO2)C1 1833826184 DUNJFUUBIOKZOL-JLTOFOAXSA-N 404.467 0.895 30 20 HCED CCc1oncc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1834313492 AQIJELCCBFJGMM-UHFFFAOYSA-N 402.451 0.510 30 20 HCED CN(C)CC(=O)N1CCO[C@]2(COCCN(C(=O)CCc3ccc(C#N)cc3)C2)C1 1834935586 PBWWCYLCQLOONM-QFIPXVFZSA-N 414.506 0.509 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3nnsc3C3CC3)C2)C1 1835357194 KCYAEJXGRKFCLN-GOSISDBHSA-N 405.480 0.789 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835674681 DTVBRQLDQCFQOD-FQEVSTJZSA-N 424.567 0.644 30 20 HCED O=C(O)C#CC(=O)N1CCC(N2CCC(NC(=O)c3ccc(F)nc3)CC2)CC1 1835886525 FEVYWTPEIWBXFH-UHFFFAOYSA-N 402.426 0.494 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cn1ccccc1=O)CCO2 1835994301 ZBOIDHOXOSHXSX-FQEVSTJZSA-N 421.519 0.224 30 20 HCED Cn1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)CCC#N)C3)C2)c2cccnc21 1837186285 FDXNBEOFVWZUCY-NRFANRHFSA-N 411.462 0.947 30 20 HCED C=CC[C@H](C(=C)C)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnn3)C2)C1 1837305887 LORCQUJVCZXHDO-XLIONFOSSA-N 403.483 0.503 30 20 HCED C#CCCC(=O)N1CCOC[C@@]2(CN(C(=O)/C=N/O[C@@H]3CCCCO3)CCO2)C1 1837533330 PBCSYCGEGABGSF-ZXRHXNHJSA-N 407.467 0.385 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccccc1Cl)CCO2 1838866954 VDYCTAJZYCFIPU-LJQANCHMSA-N 406.822 0.498 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@]3(C)C[C@H]3C)C2)C1 1839175538 PCEOHWXQRCRDRT-MAODMQOUSA-N 408.495 0.998 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ocnc3C)C2)C1 1839223896 KAGBWWAAKMSOBN-HNAYVOBHSA-N 408.455 0.854 30 20 HCED Cn1cc2cc(C(=O)N3CCO[C@@]4(COCCN(C(=O)C5(C#N)CC5)C4)C3)ccc2n1 1839504483 IKOBXAWOKQLJGL-QFIPXVFZSA-N 423.473 0.947 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc3cccnc3nc1O)CCO2 1839514104 AEGYTPJIOHOUGE-NRFANRHFSA-N 412.446 0.982 30 20 HCED CC(=O)C[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1840131696 MKDXBCHXKXJPNU-VBKZILBWSA-N 402.451 0.572 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cn4ccsc4n3)C2)C1 1840161641 WMDIWQJOEFFLKV-YVEFUNNKSA-N 410.521 0.784 30 20 HCED Cc1nccn1CCCC(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1 1840386542 BEQUSOLUMCZIEZ-OAQYLSRUSA-N 415.494 0.732 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C1(F)CCC1)CCO2 1840621590 WLWVQKPKFVDOOB-LJQANCHMSA-N 412.458 0.844 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cc(O)nc(O)c4)C3)C2)CCC1 1840813584 HYIZRFXJTIATGX-HXUWFJFHSA-N 416.434 0.257 30 20 HCED C=CCCc1ccc(C(=O)N2CCCC23CN(C(=O)[C@@H]2CNC(=O)O2)C3)c(O)n1 1842296301 RDHNDROWMPVNME-HNNXBMFYSA-N 400.435 0.831 30 20 HCED N[C@@H](Cc1cscn1)C(=O)N1CC2(CCCN2C(=O)/C=N/O[C@H]2CCCCO2)C1 1844300723 XQZHEMLYJIOZGI-NXLSOHMPSA-N 421.523 0.745 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 65974616 YOMFAJOGXSHXRL-UHFFFAOYSA-N 422.551 0.681 30 20 HCED CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 409493408 JHSUVFJLMUCNGK-QRVBRYPASA-N 413.588 0.725 30 20 HCED COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)N(C)C[C@@H](C)C#N)c1 409502255 OOIPMJWSJHUNFO-LBPRGKRZSA-N 409.472 0.448 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NCCc1ccc(OC)c(S(N)(=O)=O)c1 409503935 ZPRLZFGXOYGJOQ-LBPRGKRZSA-N 404.514 0.201 30 20 HCED CCN(C[C@H](C)C#N)S(=O)(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 409582363 PPHFTIQRWBLNNF-GFCCVEGCSA-N 419.485 0.189 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCc2cn3cc(Br)ccc3n2)CCO1 409586591 LBKYMKYJIXMMLU-LBPRGKRZSA-N 400.258 0.656 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)C1=O 410115611 MBAWIYBHROLCQY-QGZVFWFLSA-N 407.492 0.803 30 20 HCED CC[C@@H](CC#N)NC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 439544379 CDSFNDSJMRMGOE-WMLDXEAASA-N 400.435 0.448 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 441814492 VYZSQIOKBNVFQT-UHFFFAOYSA-N 422.413 0.661 30 20 HCED CCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H]1CCNC1=O 443252655 RFEBDCCIKAWBEO-AWEZNQCLSA-N 400.826 1.073 30 20 HCED Cn1ccc(N2CCC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2=O)n1 460425344 WNUBSFSMCUWUHH-INIZCTEOSA-N 415.475 0.518 30 20 HCED CN(C)c1noc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 460619451 DODWADOTBGRVNO-UHFFFAOYSA-N 419.467 0.223 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c3oc(=O)n4C)CC2)c1C#N 472887618 JSWQKHVFOKPCLC-UHFFFAOYSA-N 423.433 0.332 30 20 HCED CN(C)C(=O)Cn1cnc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 475853564 STIMXVNPXZWNJK-UHFFFAOYSA-N 410.482 0.978 30 20 HCED COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1C1CC1 477032691 JELPWHDYUGUACR-LLVKDONJSA-N 419.528 0.969 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 480519547 BWPRIDHXHXQWTJ-YOEHRIQHSA-N 418.519 0.990 30 20 HCED N#Cc1c(CCCNC(=O)[C@H]2CC[C@H](C(N)=O)O2)nn(-c2ccc(F)cc2)c1N 488697592 PGXZCKLVDVWLMY-HZPDHXFCSA-N 400.414 0.547 30 20 HCED C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 489461915 YWVWWHGHOPVJSW-CABCVRRESA-N 413.565 0.886 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 490522485 ZDQKXHSHKBCJQB-UHFFFAOYSA-N 421.461 0.321 30 20 HCED C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 500799285 KBIIEHIIMIKPKD-QAPCUYQASA-N 407.492 0.979 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCCCNC2=O)cc1 505341837 HVKIKNUOEOFFOF-OAHLLOKOSA-N 408.480 0.217 30 20 HCED CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 506750591 AVXLIAIEMFEUTP-ZIAGYGMSSA-N 409.512 0.887 30 20 HCED CCOC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCC(=O)NCC#N 508958774 KWGPBCFWIQPMGE-UHFFFAOYSA-N 411.212 0.320 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@H](C#N)C1 518001868 PAFZQNVMEQTXSJ-CQSZACIVSA-N 424.479 0.862 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2c(F)cccc2Cl)c1=O 523732867 RVTFFYIVPZTNKB-UHFFFAOYSA-N 409.870 0.988 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 527279769 ASGBTLXKXHLCJQ-UHFFFAOYSA-N 420.441 0.360 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 532352038 AYQKTNMJWVBBIK-UHFFFAOYSA-N 422.507 0.070 30 20 HCED CC(=O)NC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 539453160 MVQHDNZRZQLAQV-DLBZAZTESA-N 405.524 0.294 30 20 HCED N#Cc1ccc(S(=O)(=O)NCCN2C[C@H](C(=O)O)CC2=O)c(C(F)(F)F)c1 547894752 ILJAPUNXSHCETG-SNVBAGLBSA-N 405.354 0.788 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 555784199 UGICHMFGDRDMNL-FQEVSTJZSA-N 400.523 0.943 30 20 HCED CCS(=O)(=O)N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1 561758619 LLJJGXQVOHATMW-CYBMUJFWSA-N 409.512 0.954 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 564497272 MTCAASMYHCYELG-KMFMINBZSA-N 407.492 0.803 30 20 HCED Cc1nsc(N2CCN([C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)c1C#N 565391950 YHORAMATARHBHV-UONOGXRCSA-N 411.553 0.479 30 20 HCED CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)n1 567202426 OATDDLGERPOFKT-ZDUSSCGKSA-N 406.468 0.940 30 20 HCED CN(C[C@H](O)C(F)(F)F)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 568066570 MGJNGDUSJIHPAV-KBPBESRZSA-N 412.368 0.551 30 20 HCED CN(CCCn1ccnc1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 568554490 FXGNBDSECKQINW-GOSISDBHSA-N 408.462 0.915 30 20 HCED N#Cc1c(F)cccc1-n1ccc(=NC(=O)C(=O)N=c2ccn(CC(F)F)[nH]2)[nH]1 569253784 QBQQEZLHOHXBCO-UHFFFAOYSA-N 403.324 0.766 30 20 HCED COC(=O)c1cncc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 574708977 RADWCHGOCXRXEX-LBPRGKRZSA-N 402.436 0.429 30 20 HCED CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 577890309 BQHSNDWMRUSEJE-ZDUSSCGKSA-N 421.531 0.148 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 583894494 WYSWFTUYVXKIOA-QZTJIDSGSA-N 408.543 0.344 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1 589491045 UJQZKQGANUPAFB-FQEVSTJZSA-N 410.455 0.959 30 20 HCED CN(C[C@@H](O)CNC(=O)COc1ccc(C#N)cc1)C(=O)COc1ccc(C#N)cc1 590565117 PLMCDSDTEKYCGP-SFHVURJKSA-N 422.441 0.823 30 20 HCED N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)nc1 609342994 NBBCPLMDIRSCAS-AWEZNQCLSA-N 420.472 0.671 30 20 HCED CN1C(=O)N[C@]2(CCC[C@H]2CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1=O 611026908 QXMBMZOBLZUNCF-QFYYESIMSA-N 407.408 0.465 30 20 HCED CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@](F)(C#N)C2)cc1 615628746 XNIZGCJLUMXTTR-CWTRNNRKSA-N 404.398 0.771 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)c1C#N 616004177 AMCMVXAQXOHYMG-UHFFFAOYSA-N 413.413 0.126 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(F)cc1 725957134 VOMYEUTXROYGJY-FTRWYGJKSA-N 405.426 0.999 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1 728530714 PBEIBPBUSMNFLJ-UHFFFAOYSA-N 421.383 0.188 30 20 HCED C#CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 728570615 HXCWWZIRBQHDLD-MRXNPFEDSA-N 404.486 0.548 30 20 HCED C#CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(I)cc2)C1=O 729641869 ADBLORGFKYEICU-OAHLLOKOSA-N 411.199 0.808 30 20 HCED CN(CCCNC(=O)COC(=O)c1cc2ccccc2n1CC#N)S(C)(=O)=O 729766573 KCRPZQPXOKLRGO-UHFFFAOYSA-N 406.464 0.719 30 20 HCED N#Cc1cnn(CCOC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1N 729810870 GUKCULLPPFCZKV-AFCDSYGPSA-N 422.445 0.683 30 20 HCED C[C@H]1CN(C(=O)COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 733832271 HYFZZLMAMAUUJU-BBRMVZONSA-N 414.418 0.554 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)O[C@H]1CCN(CC(F)(F)F)C1=O 735705214 HNFPZUKUTRRDQJ-JTQLQIEISA-N 405.354 0.432 30 20 HCED CC(C)(CCS(C)(=O)=O)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 742848449 FCONWNOHMPWSLO-UHFFFAOYSA-N 415.537 0.835 30 20 HCED C[C@H](CC(=O)NC(C)(C)CCS(C)(=O)=O)/N=C1/NS(=O)(=O)c2ccccc21 742848518 IJGXKHSBFQMJJV-GFCCVEGCSA-N 415.537 0.833 30 20 HCED CCN(C)S(=O)(=O)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 744242094 UAPVXVXIDUFKNZ-CYBMUJFWSA-N 416.525 0.453 30 20 HCED N#Cc1cccc(-c2nnc(COC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)o2)c1 745482500 PBNWNAGXQSKLLL-OMNBBPDLSA-N 408.370 0.814 30 20 HCED COc1ccc(F)cc1CN1CCN(C(=O)C(=O)Nc2cnn(CC#N)c2)CC1 746354804 MEUBZRKWIXEAOB-UHFFFAOYSA-N 400.414 0.837 30 20 HCED CNC(=O)CC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 746358610 ZWPXNQPXPGEJSY-ZDUSSCGKSA-N 406.508 0.878 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)CC1 747819990 GCVVQVLFUIEGFD-UHFFFAOYSA-N 403.479 0.790 30 20 HCED C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 753889741 KDUVOYQCTCNZED-MRXNPFEDSA-N 400.479 0.826 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 754202314 XLCPZJRNKLNRNY-UHFFFAOYSA-N 400.464 0.969 30 20 HCED COCCOCCS(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 754749031 WCRDDGJKHQVPAK-FBMGVBCBSA-N 419.525 0.904 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cc1 757054055 PLQNFADSWYYTGF-ZBFHGGJFSA-N 413.521 0.046 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)OCc2nnnn2CC(F)(F)F)cc1 758415470 JQMMITFVDBFVGK-UHFFFAOYSA-N 403.342 0.765 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)[nH]c21 760404052 FAUAYENMHPXURV-UHFFFAOYSA-N 422.467 0.215 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1)[C@@H]1CCCO1 773782984 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HCED C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 803849496 JCHIZAQUFILFJQ-LBPRGKRZSA-N 402.432 0.505 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1)[C@@H]1CCCO1 809307116 YXDFVMHQDBIFGY-MOPGFXCFSA-N 418.538 0.076 30 20 HCED C#CCCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 810786650 RIAUYYYKZQIQKN-ZIAGYGMSSA-N 414.505 0.567 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 811475022 HHYWQJYTMIFHLW-UHFFFAOYSA-N 410.459 0.452 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cn(C)nc2C(F)F)c1=O 812278660 NPHGFYQYKCBCBB-UHFFFAOYSA-N 419.457 0.633 30 20 HCED COC(=O)c1c(CC(=O)NS(=O)(=O)c2cncc(C#N)c2)[nH]c(C(C)=O)c1C 813981444 BAZRVWRIGFVHIW-UHFFFAOYSA-N 404.404 0.627 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)Nc2sccc2C#N)CC1 815509668 RZVLBYUNZAUALY-UHFFFAOYSA-N 421.479 0.754 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 820539037 BHCZAACNHULCFT-ZDUSSCGKSA-N 410.448 0.197 30 20 HCED 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N#Cc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CC(O)C2)CCO3)cc1 1830573531 KZGAYNSVZUOSDY-AJTFCVKESA-N 413.474 0.328 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)[C@H](O)C(C)(C)C)CCO2)C1 1830626103 HJZKJMJCYMBIRT-QYWGDWMGSA-N 412.527 0.423 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1831404740 UBXLIKGFLOYOKW-GHTZIAJQSA-N 424.538 0.977 30 20 HCED CCOC(=O)/C=C/C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](S)C(C)C)CCO2 1831485629 HJKXDVXANPAYFR-IIMPKJCBSA-N 414.524 0.517 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3cnn(C)c3)C2)C1 1831497455 CXYJKJDPGIZRIX-MJGOQNOKSA-N 410.540 0.373 30 20 HCED COc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)cn1 1831951918 YPTFTCHUYOJDDT-HXUWFJFHSA-N 400.435 0.464 30 20 HCED N#Cc1cccc(C(=O)N2CCC(N3CCC(NC(=O)CNC(=N)N)CC3)CC2)c1 1834678801 GOZWXJSEURQZLB-UHFFFAOYSA-N 411.510 0.227 30 20 HCED Cc1nn2cc(CC(=O)N3CCOC[C@]4(CN(C(=O)CC#N)CCO4)C3)nc2s1 1834755931 NHPOOEOUDBUIGV-SFHVURJKSA-N 418.479 0.012 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc4c(c3)CNC4=O)C2)C1 1835356673 FGNTWASMCZRVEX-NRFANRHFSA-N 412.446 0.304 30 20 HCED CC[C@H](NC)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc(C#N)cc3)C2)C1 1835912714 MYWXMCRCDQUBDT-RXVVDRJESA-N 400.479 0.626 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cccs3)CCO2)C1 1836086086 YDMWAXVFAPMIPD-JXFKEZNVSA-N 406.504 0.785 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccccn3)CCO2)C1 1836184841 QBVJTHCUDKWZJI-UWJYYQICSA-N 401.463 0.119 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)C34CC(F)(C3)C4)C2)C1 1837393390 QFDOQBYSDIRTOC-NUDUCMMGSA-N 410.486 0.908 30 20 HCED CC(=O)C(C)(C)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/N3CCCCC3)CCO2)C1 1837440366 GVURYKFAZXLWQH-UKKLRFBMSA-N 422.526 0.530 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)/C=N/O[C@H]3CCCCO3)CCO2)C1 1837525250 LEBGYKSZTSAHPJ-VRFIZVPASA-N 422.482 0.522 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1837563228 USWKIBHWUOCANS-KQBANSRISA-N 415.450 0.121 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c(O)n1 1838676442 YUSNUTVIOMOLEK-OAQYLSRUSA-N 414.462 0.860 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccn(-c3ccccc3)n1)CCO2 1838743960 QMQSALMQRRZHOB-NRFANRHFSA-N 409.446 0.856 30 20 HCED Cn1cc(CC(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)cn1 1838774245 UFFANUSYUUDTJN-UHFFFAOYSA-N 402.451 0.049 30 20 HCED C=CC[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@H](C)N3CCN(C)CC3)CCO2)C1 1839105766 ZGZIBPDGPZJCEI-DXIQSLLYSA-N 422.570 0.291 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cncc(O)c3)C2)C1 1839228013 QKNSTXJSBRPCCH-FOIQADDNSA-N 420.466 0.658 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@H]4CCCO4)C3)C2)c1 1839420406 HSPZFSMNNUGJLF-WIYYLYMNSA-N 417.437 0.946 30 20 HCED C=CCOCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)Cc1cc[nH]n1)CCO2 1839719692 JHUSGGQSWUQIMS-HXUWFJFHSA-N 406.483 0.391 30 20 HCED C=CC[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)Cn3cncn3)C2)C1 1839843094 QCHQPHFHWWKRNL-ABSDTBQOSA-N 405.499 0.583 30 20 HCED C[C@H](CC(=O)N1CCO[C@]2(COCCN(C(=O)C#CC(=O)O)C2)C1)c1ccccc1 1839932272 PNAULPKELHGIBG-VGSWGCGISA-N 414.458 0.725 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccc4c(c3)CCO4)C2)C1 1840164411 IKHSSBVEMWQKND-YCRPNKLZSA-N 420.531 0.939 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(COCCN(C(=O)c4nccc5nc[nH]c45)C3)C2)CCC1 1840813735 RTKSSECLDXZBAQ-NRFANRHFSA-N 424.461 0.722 30 20 HCED C[C@H](C(=O)N1CCCC12CN(C(=O)C(C)(C)NCCC#N)C2)[C@H]1SC(=N)NC1=O 1843404538 TULGWQBXZKGWLI-QWHCGFSZSA-N 420.539 0.274 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCCC12CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1844159104 KBSLFYQBVQZLGJ-KRWDZBQOSA-N 418.425 0.508 30 20 HCED CNC(=S)NCCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)ccc1F)C2 1844267490 GWBMRRHSKMNNPR-UHFFFAOYSA-N 403.483 0.998 30 20 HCED C[C@@H](S)C(=O)N1CC2(CCCN2C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1845232087 YAEQINQDDKMGPF-OLZOCXBDSA-N 401.529 0.784 30 20 HCED C#CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@H]1O 1847239639 KJIQQPBELDPASL-GXYOHSSGSA-N 405.495 0.829 30 20 HCED CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 12267988 YVPNCHUVGNONLL-GOSISDBHSA-N 409.464 0.765 30 20 HCED N#CCCNS(=O)(=O)c1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1 27768370 WGYSXAOICBJDOV-UHFFFAOYSA-N 419.463 0.778 30 20 HCED N/C(=N/CCS(=O)(=O)N1CCSCC1)N1CCN(c2ccc(F)cc2)CC1 304757969 PLLZMEXTEPCYHT-UHFFFAOYSA-N 415.560 0.641 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 410313582 SGKTXRMCHBVKQC-UHFFFAOYSA-N 420.539 0.989 30 20 HCED Cc1nc(C#N)c(C#N)n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 428916433 MITWIXDHVOADQT-UHFFFAOYSA-N 414.447 0.594 30 20 HCED CSCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)s2)c1=O 443670161 CPWSWWHWCFLITE-UHFFFAOYSA-N 416.553 0.988 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CSCC(=O)N1CCOCC1 461748962 LDTVJOQREQIATQ-UHFFFAOYSA-N 400.464 0.978 30 20 HCED Cn1nc2c(c1CNC(=O)C(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)CCCC2 464102862 CIQBWALLTUUIDA-UHFFFAOYSA-N 418.461 1.065 30 20 HCED Cn1cc(-c2ncccc2NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cn1 467176297 NNRRTJUBCYXMQG-UHFFFAOYSA-N 411.466 0.495 30 20 HCED N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)n1 467259043 RMGWVAOLFFOYAU-HNNXBMFYSA-N 407.405 1.541 30 20 HCED N#C[C@@H]1N(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CCC[C@]12CCCCO2 468664400 ZFJDSUADVRNWBQ-MAUKXSAKSA-N 406.464 0.726 30 20 HCED Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 472737670 SZTMXXCUTZRJNW-KRWDZBQOSA-N 414.487 0.748 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1 487712974 VUYHCUUZBTYODB-GOSISDBHSA-N 410.478 0.810 30 20 HCED N#CCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 508051685 FOFRWZRQGSKGNV-UHFFFAOYSA-N 415.313 0.785 30 20 HCED N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CS(=O)(=O)CCO3)C2)c(F)c1 509214563 YEVNECZBGIXMCH-LSDHHAIUSA-N 410.471 0.779 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](N3CCNC3=O)C2)CC1 538349810 OHJFVEWCOIWQJA-SJORKVTESA-N 416.551 0.947 30 20 HCED C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549675448 KGXHOOCHDKKGGN-INIZCTEOSA-N 410.478 0.889 30 20 HCED N#Cc1cccc(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1 550979321 MFRBOLQMDFAIPD-UHFFFAOYSA-N 411.506 0.721 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2ccnc(N)n2)C1 552222972 RRLMKRMXLWMSQP-HIFRSBDPSA-N 414.491 1.003 30 20 HCED Cc1cc(CN2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)no1 557029578 ATYMLPPFOCGQPM-UHFFFAOYSA-N 403.464 0.477 30 20 HCED N#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)NCC(F)(F)F)CC2)o1 557837997 FDMVCELCOCRGHG-UHFFFAOYSA-N 416.403 0.291 30 20 HCED C=C(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 559026185 MBGKHNOQFKOJKT-UHFFFAOYSA-N 402.499 0.314 30 20 HCED N#Cc1ccc(N2CCN(S(=O)(=O)CC3CCS(=O)(=O)CC3)CC2)c(F)c1 561505162 SMISCKHYOIOSIV-UHFFFAOYSA-N 415.512 0.974 30 20 HCED CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 562126523 JABHLZJOPCATIK-UHFFFAOYSA-N 423.429 1.000 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 562795427 LGPJABSIUIZFLT-MRXNPFEDSA-N 407.540 0.226 30 20 HCED C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 586808646 QELLJWWRMZYYPB-ZDUSSCGKSA-N 414.466 0.199 30 20 HCED N#Cc1ccncc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)NCC3)CC1 590284805 GCFGSQMZBGVQJZ-UHFFFAOYSA-N 404.430 0.526 30 20 HCED C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 592524172 QTUOOYSWTKKAGI-UHFFFAOYSA-N 411.528 0.958 30 20 HCED C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 592987990 FVORJCHABUUWLX-UHFFFAOYSA-N 410.434 0.065 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCCN1CCC[C@H](C(N)=O)C1 608866035 WFHIQNMESANPTC-INIZCTEOSA-N 411.510 0.854 30 20 HCED CC(C)C(=O)N1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 609024602 FXSJUNIMZPOPMD-UHFFFAOYSA-N 406.508 0.896 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCc3c[nH]nc3C2)CC1 611009066 RXPTWXIQGJIRTK-UHFFFAOYSA-N 414.491 0.173 30 20 HCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](CNS(C)(=O)=O)C2)C1=O 725768288 YJMGFZBEYHSIQO-BEFAXECRSA-N 419.507 0.544 30 20 HCED O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 731861218 POFPCGZXEAYAJE-UWENYHRYSA-N 424.504 0.544 30 20 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401.510 0.397 30 20 HCED CC(C)(C)OC(=O)N1CCN(C(=O)CN[C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 734507344 UIMFLDKYXRNTIQ-QGZVFWFLSA-N 401.467 0.754 30 20 HCED C#CCSCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 740518132 ACZDXTVQTUJHSF-UHFFFAOYSA-N 424.548 0.044 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)c1 741238543 GNHAAXVPKSLUMV-QZTJIDSGSA-N 406.504 0.990 30 20 HCED Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C1CC1 745353327 IYZAWZFALRVXKC-PIGZYNQJSA-N 411.484 0.055 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 747854378 JENFENVXFPCTMA-UHFFFAOYSA-N 406.508 0.608 30 20 HCED C#CCNC(=O)c1ccc(NCc2ccccc2S(=O)(=O)N(C)CCO)nc1 750170813 ARTTYZLBLFNTPE-UHFFFAOYSA-N 402.476 0.670 30 20 HCED CS(=O)(=O)CC1(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 753314991 ZRPMSDYRQXQARV-UHFFFAOYSA-N 414.505 0.873 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2cnn(CC(F)F)c2)C1 755537806 NMNCRHAWPURGAX-CMPLNLGQSA-N 412.397 0.962 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 755551211 LEABIBZEUTYAQQ-OCCSQVGLSA-N 406.443 0.343 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755620072 TZAWKCWSVMQEQU-UHFFFAOYSA-N 413.547 0.960 30 20 HCED COc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(N)=O 758641874 CNDZYXVXFRIOCL-BXUZGUMPSA-N 424.479 0.831 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)N2CCC3(CC2)OCCO3)[C@H](C#N)C1 758643700 WDLYYCXMVFACIT-ZIAGYGMSSA-N 416.500 0.419 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 761023715 KFJFKMJQJYADEW-IRXDYDNUSA-N 406.552 0.900 30 20 HCED COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CCS(=O)(=O)C1 762749241 FSCUKMSFHLXURQ-CQSZACIVSA-N 411.480 0.930 30 20 HCED C#C[C@H](NCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCCO1 775807288 QRNPPZDEBZUAJJ-ROUUACIJSA-N 407.492 0.416 30 20 HCED CON(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CCCC#N)ccc1Cl 776117697 VYBZYENJHBVSKK-UHFFFAOYSA-N 409.873 0.885 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)c2ccncn2)CC1 778450758 AOIPOLSKWIZOEL-UHFFFAOYSA-N 415.431 0.038 30 20 HCED C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 780059764 IGFOMPXOTKIJMD-IOASZLSFSA-N 410.434 0.960 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)n1 789795042 UNDAPYRLWYHRJM-UHFFFAOYSA-N 417.491 0.899 30 20 HCED C#CCN(CC#CC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 790850878 JXQRSDBQADQMET-UHFFFAOYSA-N 410.517 0.663 30 20 HCED C=CCN1CC[C@H](OC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)C1=O 798568563 FXLQXZQFLOMYND-INIZCTEOSA-N 409.464 0.644 30 20 HCED C#CCC[C@@H](O)CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 799078173 ZPZKOFLFKFDKHN-CQSZACIVSA-N 406.508 0.647 30 20 HCED CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 800076624 XVJSJAKZPAOKPQ-JTQLQIEISA-N 406.452 0.616 30 20 HCED NC(=O)C(=O)Nc1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 801514226 ZCTSCYXGEASEAW-UHFFFAOYSA-N 415.431 0.178 30 20 HCED COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 803499102 ZTJCYKNSKVJQRB-OAHLLOKOSA-N 419.381 0.679 30 20 HCED C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)C1 805059744 CUFWLTNLVTXZPL-CABCVRRESA-N 407.515 0.852 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCCO1 808620305 XKXIKQQRVKBDKE-XHSDSOJGSA-N 407.829 0.998 30 20 HCED Cc1c(I)cn(CC(=O)N[C@H]2CCSC2=O)c(=O)c1C#N 809967183 DFCAXZRYJSCCPX-JTQLQIEISA-N 417.228 0.781 30 20 HCED COC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 811361460 PJLKRAJSOVFWTF-MRXNPFEDSA-N 402.432 0.652 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814250652 UKHDODIOBYBHER-UHFFFAOYSA-N 407.446 0.470 30 20 HCED C[C@H](C#N)OC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 825320255 LKUBSRJGZXDMIU-MVVQPTODSA-N 400.478 0.835 30 20 HCED C/N=C(/NCCN1CCOCC1)NCc1cccc(OCCN2CCOCC2)c1 849066544 ICDDDPJCVGFQSO-UHFFFAOYSA-N 405.543 0.395 30 20 HCED C/N=C(/NCCN1CCOCC1)NCCN1CCN(C(=O)C2CCCCC2)CC1 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412.493 0.345 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn4c3NCCC4)CC2)cc1 1345706428 ZVEHVLHLJCBDOG-UHFFFAOYSA-N 400.464 0.717 30 20 HCED CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN(CCC#N)CC2)cc1OCC 1454909324 NYNIUYZSQSRJKJ-UHFFFAOYSA-N 424.523 0.820 30 20 HCED CNS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1517633425 YNQAQDNKLAGMDK-CQSZACIVSA-N 416.511 0.662 30 20 HCED N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccs2)CCO1 1521130502 XJSGFOSPOLHPGW-STQMWFEESA-N 408.509 0.608 30 20 HCED C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C 1541889572 ZDUCOISKAKOCMW-ZDUSSCGKSA-N 414.495 0.863 30 20 HCED CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1548315402 WZHLHDKPJMRXET-LBPRGKRZSA-N 418.545 0.063 30 20 HCED COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1644466968 PLMBHQRDEMFYCM-GOSISDBHSA-N 402.495 0.858 30 20 HCED CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1 1669684874 YYJFJPLQMVLVKS-CQSZACIVSA-N 400.478 0.688 30 20 HCED 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N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(N)=O)c2)cc1 464138212 BXEIBVLJSALXHM-UHFFFAOYSA-N 416.459 0.673 30 20 HCED Cc1nn(C)c(C)c1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 467744731 BCOUQCGUACHVPI-UHFFFAOYSA-N 417.491 0.821 30 20 HCED CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 479888088 OXUIPOFZNNTOPK-WBVHZDCISA-N 408.524 0.698 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCNC(=O)c1ccccc1F 480668665 MAEGKWITWIYIQP-ZDUSSCGKSA-N 418.450 0.910 30 20 HCED CCOC(=O)c1c(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)c(C#N)cn1CCOC 481447833 MSDORZLNYIIJBI-GFCCVEGCSA-N 413.456 0.078 30 20 HCED CNC(=O)COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 481803486 FKUJTLOKJCENSH-CYBMUJFWSA-N 416.459 0.989 30 20 HCED N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C1CC1 481980207 KBSYCLKJHMPHIM-UHFFFAOYSA-N 412.496 0.540 30 20 HCED N#C[C@H]1CN(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C[C@@]12C(=O)Nc1ccccc12 489061383 HXJGMSKMNJHVRT-OXPGNKJZSA-N 404.426 0.810 30 20 HCED N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)C2)nc1 489131738 DFZAUVALBJAPOM-IRXDYDNUSA-N 400.483 0.703 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 493655033 JNRMRNVMAURVCO-AWEZNQCLSA-N 420.491 0.311 30 20 HCED CCOC(=O)[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 503827551 HYGRPXBPFGJKBQ-IAGOWNOFSA-N 420.491 0.916 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 506515373 ZLRPAUBDPPNRPO-XJKSGUPXSA-N 420.491 0.968 30 20 HCED CNS(=O)(=O)C[C@H]1CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508646700 GLUCVYZKABMEHE-IAGOWNOFSA-N 419.507 0.777 30 20 HCED Cc1ccc(NC(=O)CN2CCO[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 519289248 UJVKIJORLYCIBW-MRXNPFEDSA-N 408.480 0.179 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 531698554 KILYAQZMTMFLER-DZGCQCFKSA-N 405.480 0.241 30 20 HCED CCOCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2sccc2OC)c1=O 531938724 XMXQPECADJRABS-UHFFFAOYSA-N 419.528 0.798 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)cc1 536996944 PRRONVOSDCBUBQ-UHFFFAOYSA-N 403.439 0.248 30 20 HCED CN(CC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O)S(=O)(=O)c1ccc(C#N)cc1 549143026 SDNNSLWYRUWPCV-VQIMIIECSA-N 421.519 0.863 30 20 HCED CN(C)CCNC(=O)c1cccc(CNC(=O)C(=O)NCc2cccc(C#N)c2)c1 550591858 KCJKXXFASXLHPS-UHFFFAOYSA-N 407.474 0.782 30 20 HCED Cn1nccc1COCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 550641026 MGNPZWQYXVSVHY-UHFFFAOYSA-N 403.464 0.341 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 551584440 FKAVKYPLHNJLJZ-AWEZNQCLSA-N 410.427 0.683 30 20 HCED C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCOCC2)C1 558982221 FIAYPEOWMHQFGO-HZPDHXFCSA-N 412.560 0.623 30 20 HCED CC(=O)Nc1ccc(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 559570957 SPADCZZINDMTCY-UHFFFAOYSA-N 406.446 0.877 30 20 HCED C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 559760441 XNIBEZMXWRUSJE-VQIMIIECSA-N 411.506 0.623 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 560993008 JXSRHQUKIYALHY-UHFFFAOYSA-N 400.416 0.169 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 561452985 PSCXWKKIDFQMNK-UHFFFAOYSA-N 419.570 0.156 30 20 HCED CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCC(=O)NCC#N 561471604 VJUXEUSBRCZLGG-HNNXBMFYSA-N 420.267 0.734 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)C1=O 561820513 OGHUIOSLJOHODO-VQIMIIECSA-N 413.522 0.969 30 20 HCED Cc1cc(=NC(=O)C(=O)N=c2ccn(-c3ccc(C#N)cc3F)[nH]2)[nH]n1CCC#N 567800917 NQFWQLHXMIICNT-UHFFFAOYSA-N 406.381 0.723 30 20 HCED CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 570031255 BLVUOLFGAPFELS-CYBMUJFWSA-N 414.441 1.490 30 20 HCED CCn1cc(NC(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)ccc1=O 571727017 PYEBGUVWJMQWOR-UHFFFAOYSA-N 400.464 0.792 30 20 HCED CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)CC1 579244861 PHQXAIJNNWRRPU-UHFFFAOYSA-N 406.508 0.837 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 579275602 GFHUJOUGTKOKHE-WBAXXEDZSA-N 414.462 0.432 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 585479572 RHOFOJFZCUJPGX-UHFFFAOYSA-N 414.491 0.696 30 20 HCED N#CCN1CCC(NC(=O)C(=O)NCCN2CCc3c(Cl)cccc3C2)CC1 588126032 YAQBMQVAUHVNMO-UHFFFAOYSA-N 403.914 0.918 30 20 HCED COC(=O)C[C@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 589077452 QQQQSEGKDGJYSH-HOTGVXAUSA-N 414.418 0.554 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)C1=O 589865614 RELIUKDXPMEBLQ-UHFFFAOYSA-N 420.372 0.226 30 20 HCED Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CC(C#N)C3)CC2)cc1 590481390 LQMIUMXFRQVZMN-UHFFFAOYSA-N 404.492 0.590 30 20 HCED COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)cc1 607947670 LPILXYPLHGBWPQ-UHFFFAOYSA-N 413.499 0.660 30 20 HCED CNC(=O)COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 609187052 HBUAPYLZJJILTE-UHFFFAOYSA-N 416.459 0.942 30 20 HCED COC(=O)CN(CC#N)C(=O)CS(=O)(=O)Cc1cccc(Br)c1 609992284 QTTQGBHVMSWDHU-UHFFFAOYSA-N 403.254 0.889 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)cc2C(=O)NC2CC2)C1=O 730197898 FXKZLBRFSJXDHI-UHFFFAOYSA-N 400.391 0.503 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 735922459 CNOUCNYCDWGEDH-UHFFFAOYSA-N 408.480 0.657 30 20 HCED Cc1ccc(NC(=O)C(=O)NCCNc2ncccc2C#N)cc1S(N)(=O)=O 737150622 SOKDRUAGHDZSLP-UHFFFAOYSA-N 402.436 0.076 30 20 HCED CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 744098305 HRTVSHASWOQYCH-UHFFFAOYSA-N 413.503 0.946 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 745028764 KUVICZIHKRQGIJ-WDEREUQCSA-N 408.367 0.736 30 20 HCED C[C@H](CO)[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749746336 WNCFTDIKRGZEOT-CJOMHGBRSA-N 410.496 0.571 30 20 HCED C=CCS(=O)(=O)CCNC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 753193548 OLHWPFYYCPIHJV-UHFFFAOYSA-N 424.589 0.281 30 20 HCED N#Cc1ccc(OCCOC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1 753662301 FEFUUDODYDEHJQ-CQSZACIVSA-N 405.432 0.646 30 20 HCED CC(C)[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1CCCS1(=O)=O 756886054 QZLQQBZHUIRCMK-RBSFLKMASA-N 414.528 0.922 30 20 HCED N#CCN(C(=O)COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1 762384543 QPOWVCADQRGALA-UHFFFAOYSA-N 400.416 0.584 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1F 763437134 RKYJAZXZCQHWSK-UHFFFAOYSA-N 400.410 0.765 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n1C 766051687 IZZXXDZUPNQZEF-UHFFFAOYSA-N 417.403 0.292 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)Nc1cc(C2CC2)nn1-c1ncccn1 768055606 KLVFHSSXDGMDMB-UHFFFAOYSA-N 417.433 0.973 30 20 HCED Cc1csc2nc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)cc(=O)n12 769215896 MEXQXZOPBUYDEZ-UHFFFAOYSA-N 418.456 0.958 30 20 HCED C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N3C[C@H](C)O[C@H](C)C3)no2)cc1 771226650 XGRWYGJCGIGYCQ-OKILXGFUSA-N 418.475 0.826 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCSC[C@@H]1c1cnn(C)c1)c1cc[nH]n1 772647043 BKWQORKJMVDQHH-CQSZACIVSA-N 406.468 0.744 30 20 HCED C#CCOc1ccccc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 773308462 UIGKHPRQDOCZLQ-UHFFFAOYSA-N 400.479 0.696 30 20 HCED CC[C@@]1(O)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 778964297 HQDSZLTZGUENEC-DSPRMBBKSA-N 422.507 0.811 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1)[C@H]1CCCO1 782126667 YVMJQXRPJAVGDT-VQTJNVASSA-N 412.490 0.586 30 20 HCED CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)c1 783153264 SYWSLTIIKBPYRO-UHFFFAOYSA-N 403.376 0.741 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(S(C)(=O)=O)ccc2OC)C1=O 789684967 HPFLQSSRRPQZMF-UHFFFAOYSA-N 410.404 0.119 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)[C@H]1CCS(=O)(=O)C1 789752051 KWRNRTFIOJSMDA-WMLDXEAASA-N 419.503 0.659 30 20 HCED CC(C)(C)OC(=O)N(CCCNC(=O)C(=O)NC1CCN(CC#N)CC1)C1CC1 789952949 IOZIFNJBXMAZND-UHFFFAOYSA-N 407.515 0.996 30 20 HCED CCOC(=O)CON=C(C(=O)N1CSC[C@H]1C(=O)N1CCCC1)c1cc[nH]n1 789965073 CXSNTHCROSNCGV-ZDUSSCGKSA-N 409.468 0.217 30 20 HCED C=CCOC[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F)C(=O)OC 797762057 MNJRETIPOKOYBK-LBPRGKRZSA-N 418.418 0.880 30 20 HCED C=CCOC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1)C(=O)OC 797762655 VIWGGJGRIYWKEK-AWEZNQCLSA-N 400.428 0.740 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)C1=O 804311703 QZQAKHLZODOYDV-OAHLLOKOSA-N 408.499 0.747 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)N[C@@H]2CN(C)Cc3ccccc32)n1 807676259 MSVHUHGUPCNUHQ-HXUWFJFHSA-N 409.490 0.794 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCNc2ncccc2C#N)c1 810200743 QOEJLGXTVHQCPL-UHFFFAOYSA-N 401.448 0.662 30 20 HCED C#CCCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 810202476 BOCBAPZOKJEFOG-UHFFFAOYSA-N 414.325 0.895 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 810391522 GDVBFILKDDYOPT-INIZCTEOSA-N 405.480 0.122 30 20 HCED CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 810773668 KUQIADAFGSFKGD-UHFFFAOYSA-N 420.459 0.835 30 20 HCED CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CC(=O)NCCOC)C1=O 914552543 CVSMGPBYYNMXJW-CQSZACIVSA-N 410.471 0.964 30 20 HCED Cc1nn(CN2CCN(c3ccc(C#N)cn3)CC2)c(=S)n1CC(=O)N(C)C 920834574 UNOLWHXBUWPNQF-UHFFFAOYSA-N 400.512 0.857 30 20 HCED CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1291795137 OMYHAFMXPXAMQO-CABCVRRESA-N 403.487 0.548 30 20 HCED CN1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1298879673 OZOSQWJAHJALQY-OALUTQOASA-N 414.445 0.434 30 20 HCED CS(=O)(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1302460899 ZZBUYKBINQIPJM-AWEZNQCLSA-N 415.541 0.355 30 20 HCED COC(=O)[C@H]1CN(C)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1312625790 KJQNBTNSIKFLKN-ZWKOTPCHSA-N 413.478 0.405 30 20 HCED N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1 1317995280 GKBHHGCBLMBODP-UHFFFAOYSA-N 420.491 0.069 30 20 HCED COC(=O)[C@@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1318227870 YMOIEGOLPWFXSY-IBGZPJMESA-N 401.444 0.930 30 20 HCED COCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 1319860970 VOMMBOVZUKLPHU-UHFFFAOYSA-N 401.510 0.425 30 20 HCED O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1CN1CC[C@@H](O)C1 1319975090 WEFXXMBWRXCDHV-NHKNDPDJSA-N 413.478 0.579 30 20 HCED C[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 1336533303 FKTMJCWUSNXPHJ-XLIONFOSSA-N 418.563 0.957 30 20 HCED C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(C)(=O)=O 1507781932 NKKUQSRINDIMDW-SNVBAGLBSA-N 421.321 0.123 30 20 HCED N#Cc1c(Br)cccc1OCC(=O)N1CCC(S(N)(=O)=O)CC1 1542866893 WGNCFXGNCGDBGJ-UHFFFAOYSA-N 402.270 0.979 30 20 HCED COCC[S@@](=O)Cc1cccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1543723152 POOONKRMZSEFSD-MUUNZHRXSA-N 404.448 0.744 30 20 HCED CNS(=O)(=O)N1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 1559877279 SWHGPBNGDHGGMC-UHFFFAOYSA-N 413.931 0.977 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)cc1 1620352688 XFPSXRBOCVSNLN-SFHVURJKSA-N 421.461 0.984 30 20 HCED N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1712885064 YEMIIDOMXHNOOC-JKSUJKDBSA-N 402.480 0.427 30 20 HCED 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0.626 30 20 HCED C#CCCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1cncn1)CCO2 1837648790 UTFNYTLXGADEMH-YLJYHZDGSA-N 403.483 0.174 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H](C)n1ccccc1=O)CCO2 1837691439 QEMOMUOONMAKBN-VCBZYWHSSA-N 409.508 0.184 30 20 HCED CC(C)n1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3CC3)C2)C1 1838019282 YQJVWTDQUCRUTO-OAQYLSRUSA-N 400.479 0.947 30 20 HCED Cc1nccnc1C(=O)N1CCO[C@@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1838212790 MDJAZNCLTGIRKV-HSZRJFAPSA-N 420.469 0.907 30 20 HCED O=C(O)C#CC(=O)N1CCC(OC2CCN(C(=O)[C@H]3[C@H]4SC=C[C@H]43)CC2)CC1 1838729476 KPPDVNYYZSLKOS-IPELMVKDSA-N 404.488 0.948 30 20 HCED N#Cc1cccc(C(=O)N2CCO[C@@]3(COCCN(C(=O)Cn4cccn4)C3)C2)c1 1838905833 BDNZUIANQSDHBF-OAQYLSRUSA-N 409.446 0.525 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCN(C)C1)CCO2)C(F)(F)F 1839067714 KPSIBKBXHIMCRZ-YJBOKZPZSA-N 419.444 0.903 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3conc3C)C2)C1 1839223736 GZFHGLPFXMTAEY-HNAYVOBHSA-N 408.455 0.854 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ncc(Cl)cn3)C2)C1 1840158705 PCSOJKFEIVPTAZ-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED Cc1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)n(C(F)F)n1 1840162258 QRQBUZTZUTVKEU-SJKOYZFVSA-N 418.466 0.975 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3noc(C(C)C)n3)C2)C1 1840167066 UMUQENOUXXAOSA-NRFANRHFSA-N 418.494 0.995 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCCN3C(C)C)CCO2)C1 1840581595 INXCFNAIHJIHQD-DXIQSLLYSA-N 421.538 0.354 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)c1cncn1-c1ccncc1)C2 1841053862 IFZOCTZOEDASRR-PLNGDYQASA-N 420.473 0.943 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC12CN(C(=O)COCCNC(=O)OC(C)(C)C)C2 1841601884 HNSBRMHANOOVCH-INIZCTEOSA-N 423.510 0.769 30 20 HCED CCNC(=S)NCC(=O)N1CCCC12CN(C(=O)c1cc(C#N)ccc1F)C2 1845760043 AVCQMKDTEXYLHS-UHFFFAOYSA-N 403.483 0.998 30 20 HCED CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847073904 XZJORHFGJTWROZ-AWEZNQCLSA-N 407.467 0.971 30 20 HCED CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847747959 ZWQQTAVQZKDMQI-IKGGRYGDSA-N 405.495 0.877 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1847806861 YHTOGGJOFROLCW-NCOADZHNSA-N 423.510 0.502 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2nc(O)nc(O)c2C1 1847809218 BXGWUVYGKKBVRP-OMNBBPDLSA-N 416.478 0.786 30 20 HCED Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 16260099 CLICYOOXEDBQLH-UHFFFAOYSA-N 415.475 0.624 30 20 HCED N#Cc1c(CCCNC(=O)NC[C@H]2CCS(=O)(=O)C2)nn(-c2ccccc2)c1N 45674129 WKMIENQWGXEYDT-CQSZACIVSA-N 416.507 0.993 30 20 HCED CCN(CCC#N)C(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 51589477 KYPQGSRJWBTIMA-UHFFFAOYSA-N 406.508 0.958 30 20 HCED CC(C)N(C)S(=O)(=O)c1ccc(CNc2c(C#N)c(=O)n(C)c(=O)n2C)cc1 63248717 LWJCTSJFNFUVJU-UHFFFAOYSA-N 405.480 0.597 30 20 HCED N#CCN(C(=O)COC(=O)CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 104590041 NSCDHLURQKCYDW-UHFFFAOYSA-N 412.427 0.825 30 20 HCED C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CCN1c1nccn2cnnc12 433883483 PSEFWISYQLKSQP-LBPRGKRZSA-N 408.397 0.811 30 20 HCED CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 442925477 VSBFGGTZFFWDBF-UHFFFAOYSA-N 421.504 0.372 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1 443260902 IWPPSRKFMBJAOB-RGYORQFESA-N 419.503 0.659 30 20 HCED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncn(C)n1 444372674 QYRWGNOKHRMNDA-CYBMUJFWSA-N 402.480 0.965 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccnn3C[C@H]3CCOC3)CC2)nc1 448494388 FIXVQXDPSYZQCR-MRXNPFEDSA-N 409.450 0.474 30 20 HCED N#Cc1ccccc1N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 448522356 SRYKWHRHTYGCDE-UHFFFAOYSA-N 414.491 0.763 30 20 HCED N#Cc1ccc(CN2CCCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 463364344 GFWWTSULROXJEI-QCFAMHMHSA-N 422.485 0.755 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)CCCN3CCOCC3)C2=O)cc1 463851950 VYLPRLGXZGYCGH-GOSISDBHSA-N 406.508 0.695 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 479898602 OOWAVAYMLSWEDO-DLBZAZTESA-N 422.555 0.779 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(Cc2cccnc2)CC1 480089538 COPJIJZIUGKGOK-INIZCTEOSA-N 413.503 0.964 30 20 HCED CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 482180430 RPFNKTTUZGBWNC-JKSUJKDBSA-N 407.540 0.367 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]1CN1CCOCC1 482375776 BWSWBFCJEVQZSV-RDJZCZTQSA-N 406.508 0.548 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)C1=O 483967850 YEHKWWBFCDYBLI-VYDXJSESSA-N 401.419 0.704 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1CCCSC 497551276 DKGZRBZUJRZYFL-UHFFFAOYSA-N 424.573 0.385 30 20 HCED CN1C(=O)N[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC[C@@H]21 504478669 YUCUEHVLHFFABL-HIFRSBDPSA-N 411.397 0.446 30 20 HCED Cn1nc2c(cc1=O)CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 508631191 PNXLXHZHKMJTPF-SFHVURJKSA-N 406.446 0.915 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@H](CC)C(=O)OC)CC2)c1 511302761 BRGQMFTYUVEOEP-QGZVFWFLSA-N 409.508 0.860 30 20 HCED Cn1ncnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 514760001 JDOOLDWQYSCVDP-UHFFFAOYSA-N 406.493 0.312 30 20 HCED COc1cc(CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)ccc1C#N 516608217 KBRHDCJNDDJUEC-UHFFFAOYSA-N 406.395 0.608 30 20 HCED Cn1cc(N2CC[C@@H](N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2=O)cn1 533343400 HNCJUBJFXQZKNP-GOSISDBHSA-N 414.491 0.404 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1C 537003289 MBYPFEIRUKCIDI-GFCCVEGCSA-N 411.422 0.149 30 20 HCED Cc1nc(C)n(C[C@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCO2)n1 539250324 OWKXWXOLRNXVJS-RTBURBONSA-N 403.531 0.288 30 20 HCED N#C[C@@H]1CSCCN1C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 539331791 ZBEUWIADJVDEBO-GFCCVEGCSA-N 401.535 0.914 30 20 HCED C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@@H](C(N)=O)O1 541143790 LZLTWBJMBKJERE-YGRLFVJLSA-N 416.825 0.437 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3nnnn3-c3ccccc3)CC2)o1 542573260 GBCGLXCSZSFMQL-CQSZACIVSA-N 421.465 0.830 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 545296337 LASYGLJHVFOGPW-NRFANRHFSA-N 421.413 0.876 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 546709980 YQLNTCWUZGKABB-UHFFFAOYSA-N 413.438 0.018 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCCOC)nn2)c1 552172725 ORJQNKDRKLZPPK-UHFFFAOYSA-N 406.464 0.896 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 557732858 FOQVVTPSHHUROP-DLBZAZTESA-N 408.543 0.533 30 20 HCED CNC(=O)CN1CCC(NS(=O)(=O)c2cc(Br)ccc2C#N)CC1 559638233 AOPJDLVXSKBYSZ-UHFFFAOYSA-N 415.313 0.809 30 20 HCED CCNC(=O)C1(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCC1 587659304 KTRFGKNYTKZPEY-UHFFFAOYSA-N 412.494 0.461 30 20 HCED COCCOc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)c(C)c1 604131796 WMOLCOIAAUUAQE-UHFFFAOYSA-N 400.439 0.885 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1 604207287 MTAORNKLXKKNDG-UHFFFAOYSA-N 406.402 0.571 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)cc1 606127478 MPCDIUGKUYZHLQ-UHFFFAOYSA-N 401.423 0.588 30 20 HCED COCCn1ncc2ccc(NC(=O)C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc21 615049238 WZZKIFRONRUUEA-UHFFFAOYSA-N 424.465 0.889 30 20 HCED C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 670232306 UKUWXGWJUIVPPF-UHFFFAOYSA-N 412.498 0.712 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CN(C)C(=O)OC(C)(C)C)CC2)o1 727893421 INWLLZPTLSINBB-UHFFFAOYSA-N 421.454 0.913 30 20 HCED C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 728572297 ACDWHBLXVSDGSB-INIZCTEOSA-N 410.312 0.556 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 733149745 PVWSSABPHGTTGD-FQEVSTJZSA-N 410.518 0.504 30 20 HCED COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 742143970 PKXDSQDYVGLVHL-UHFFFAOYSA-N 408.439 0.770 30 20 HCED COc1cccc([C@H](C#N)NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1OC 742639336 WXZWXMDZLALOMJ-IBEVVSKNSA-N 413.430 0.937 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)Cc2cccc(F)c2)c1 748766612 RFEIDRGJPFKHDS-UHFFFAOYSA-N 417.462 0.826 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2sccc2OC)c1=O 758056433 VCZAJVABTADZHD-UHFFFAOYSA-N 417.512 0.269 30 20 HCED C[C@@H](O)CCN(C)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 762583621 SFMLMKXRTQPICV-MMOSJZJFSA-N 410.496 0.667 30 20 HCED CCN(CCO)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 769227347 DBPVVGVIMUUTQS-FXBPSFAMSA-N 411.528 0.935 30 20 HCED CCOC(=O)CNC(=O)C1CCN(C(=O)NCCNc2ncccc2C#N)CC1 772602223 KVLVTFHQRCFPFF-UHFFFAOYSA-N 402.455 0.466 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)C(F)F 783348346 ZAKSLZMYRXVYBJ-UHFFFAOYSA-N 410.420 0.338 30 20 HCED N#CC1(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)CCCCC1 786358371 HTVOGZJMXAKUEN-BQGCOEIASA-N 403.435 0.425 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1)c1cc[nH]n1 787589948 LXKMKFYODRZKCW-AWEZNQCLSA-N 420.470 0.298 30 20 HCED C[C@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCNc2ncccc2C#N)C[C@@H](C)O1 787777517 LQGGQXFCKIZVNB-SOLBZPMBSA-N 414.510 0.582 30 20 HCED Cc1nc(C(=O)NCc2ccc(C(=O)NO)cc2)nn1-c1n[nH]c(C(F)(F)F)n1 791272185 DWCHAOXOAPAODR-UHFFFAOYSA-N 410.316 0.762 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C(C)C 799272867 LYEUOTVAFRLHIS-QGZVFWFLSA-N 406.508 0.335 30 20 HCED CN(CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(=O)OC(C)(C)C 804177681 GHJFIVQUVXPMJQ-UHFFFAOYSA-N 407.475 0.238 30 20 HCED C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C(=O)NC1CCN(CC#N)CC1 805057369 GOHLJHGIGUSCTM-GDBMZVCRSA-N 407.515 0.852 30 20 HCED C=CC[C@H](NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1)c1ccncc1 805812154 RAPYVGAQRPEJAH-INIZCTEOSA-N 414.466 0.689 30 20 HCED O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](C(=O)N2CCCC2)C1 807816879 NIBVWAJCHHKDLT-HNNXBMFYSA-N 418.519 0.976 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)[C@@H]1CCCO1 809312198 LVRPEQBOUKXDTK-ROUUACIJSA-N 401.438 0.336 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1 811831329 FZBWSHSIXPFJNC-UHFFFAOYSA-N 400.412 0.712 30 20 HCED COCCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(C)c2)c1=O 838178538 MBDKCSYSXVEOAV-HNNXBMFYSA-N 415.515 0.519 30 20 HCED CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2CCS(=O)(=O)CC2)C1=O 916111155 CBTADMRMOKYAFO-KRWDZBQOSA-N 402.517 0.419 30 20 HCED C#Cc1cccc(NC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 918283696 OLIFNNGSVVDPMM-UHFFFAOYSA-N 404.426 0.495 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(NC(=O)N(C)C)CC1 1141247961 YRAAFOYQXUSNAI-ZDUSSCGKSA-N 407.496 0.487 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@H](NS(=O)(=O)C3CC3)C(C)C)CC2)c1C#N 1296472291 NXXDUXGEXMEISC-MRXNPFEDSA-N 408.528 0.355 30 20 HCED N#Cc1cn(CCC(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(=O)nc1O 1446136125 LPUFTTSKRUIGEK-KRWDZBQOSA-N 409.446 0.561 30 20 HCED Cc1ncccc1NC(=O)[C@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1460710257 MMCHFFUAPVUECT-LBPRGKRZSA-N 401.448 0.572 30 20 HCED CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1503807328 PUPLYZHMXRXEOB-UHFFFAOYSA-N 409.454 0.478 30 20 HCED CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1519529612 KVVIWUVWDKJKDO-WBVHZDCISA-N 416.507 0.955 30 20 HCED COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)C1 1562623913 UBWRGMPGRFSCSN-ZIAGYGMSSA-N 408.480 0.941 30 20 HCED COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1617926619 UOCHTKBQKYAPGM-OAHLLOKOSA-N 414.509 0.362 30 20 HCED COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H](C)O1 1619576899 VMRRVJONIBBPIR-JYJNAYRXSA-N 406.508 0.719 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)c(=O)nc1O 1630063782 UDSFPVIKMPPANQ-ZACQAIPSSA-N 407.430 0.484 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1664393353 YZTVEMWISZAWPK-CQSZACIVSA-N 414.505 0.996 30 20 HCED Cn1cnnc1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1729592427 RYQBVUNOWZIKGY-LLVKDONJSA-N 418.259 0.941 30 20 HCED C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740745412 UDZDXRSKRUNURM-VXGBXAGGSA-N 400.277 0.642 30 20 HCED 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HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCNC(=O)C3)C2)C1 1840295582 WIWHQBSIIWEMHE-DYESRHJHSA-N 405.495 0.163 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cc3ccc(C)o3)CCO2)C1 1840506218 DZVZXOQJOYGGKA-UTKZUKDTSA-N 404.463 0.625 30 20 HCED O=C(O)C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)C13CCC(CC1)CC3)CCO2 1840544081 PQICEOBRQTVNOL-LFNLJPBCSA-N 404.463 0.501 30 20 HCED C#CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(OC)c(C)c(OC)c1)CCO2 1840756263 LNEATVUJWHXNAJ-OAQYLSRUSA-N 402.447 0.715 30 20 HCED COc1cc(C(=O)N2CCCC23CN(C(=O)C#CC2(O)CCCCC2)C3)n(C)n1 1842203456 MRAMZBZURGVWNO-UHFFFAOYSA-N 400.479 0.944 30 20 HCED C=CCCc1ccc(C(=O)N2CC3(CCCN3C(=O)[C@@H]3C[C@H](O)CN3)C2)c(O)n1 1845065172 WBMVJMNKSNPUGS-RDJZCZTQSA-N 400.479 0.446 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 3518385 ZPFJQHMEWGBGFS-UHFFFAOYSA-N 403.844 0.759 30 20 HCED Cc1cc(NC(=O)CN2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)no1 23351425 XXUMZAYQEFTSHS-UHFFFAOYSA-N 421.461 0.973 30 20 HCED CN(CC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)S(=O)(=O)c1ccc(C#N)cc1 146392823 MTYNEIFYJYKUKV-CYBMUJFWSA-N 404.414 0.932 30 20 HCED Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)n(C)c1=O 150256827 OXLRVQCZPSQVFX-UHFFFAOYSA-N 406.324 0.963 30 20 HCED CN(C)C(=O)[C@@H]1CCCN1CCC/N=C1/NC[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 305041534 VUGULPKFIFNDED-SJORKVTESA-N 422.574 0.810 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)C(=O)Nc2ccccc23)n1 426933282 RZVUGQMOPVVTQB-QTCYRWPVSA-N 422.445 0.901 30 20 HCED CC[C@@H](CC#N)NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 430077348 LWVQDDNIZQPKPL-GXTWGEPZSA-N 424.479 0.179 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCC4)C3)CC2)nc1 430491654 IYRHGYXNQOJBPI-MSOLQXFVSA-N 424.505 0.509 30 20 HCED CN1C(=O)Cc2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 434777304 PJLHOFJKQSWQJG-UHFFFAOYSA-N 404.430 0.759 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@H](C)CC#N 438868046 ALBARPJQMZWULY-GFCCVEGCSA-N 410.452 0.073 30 20 HCED CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 443716003 DSIBCWKTNDMNNC-UHFFFAOYSA-N 418.397 0.913 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCNc2ccc(-c3ccccc3)nn2)C1=O 443852966 RHKYOWMWLANSQN-UHFFFAOYSA-N 408.418 0.649 30 20 HCED COc1cc(OC)c(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)cc1F 446529925 JYXXHMZAVVABBB-UHFFFAOYSA-N 408.430 0.856 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC[C@@H](n2cccn2)C1 460576766 OHUCQXMCUVUZEU-MRXNPFEDSA-N 404.434 1.446 30 20 HCED Cc1cc(CN2CCN(C(=O)C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)on1 460613014 ZYJGWPYYIMHKEH-UHFFFAOYSA-N 420.433 0.718 30 20 HCED Cc1nc([C@@H]2CN(C(=O)CN(C)S(=O)(=O)c3ccc(C#N)cc3)CCO2)n[nH]1 464466864 LSKDFHUZIXVHGP-HNNXBMFYSA-N 404.452 0.205 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 464911398 KOTHETSMBRZJEX-MSOLQXFVSA-N 414.558 0.842 30 20 HCED Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC[C@]4(CCCCO4)[C@@H]3C#N)[nH]c21 468111210 PYIIOUAYPJCOMZ-HXPMCKFVSA-N 400.439 0.749 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3cc(F)cc(C(=O)O)c3)CC2)c1C#N 472351816 UNWOSOPTAKQMQW-UHFFFAOYSA-N 407.427 0.948 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)CC2)c1 475571606 GNZYCVHUIBPMQM-UHFFFAOYSA-N 424.465 0.363 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN(C)CCN2C)cc1 478771691 PQYHXKKHOQREAC-IBGZPJMESA-N 413.522 0.801 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2nncn2C)C1 480797387 FGEXDEAFMHERLU-HIFRSBDPSA-N 402.480 0.760 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 482186556 UYIUJKBBSJJJDV-LRDDRELGSA-N 419.484 0.870 30 20 HCED CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 482692195 MNDUVRVOMPEYML-UHFFFAOYSA-N 408.480 0.848 30 20 HCED CCN(C[C@H](C)C#N)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 484260504 YISAKKUQEAZEAE-ZBFHGGJFSA-N 415.537 0.776 30 20 HCED CS(=O)(=O)Nc1cncc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486013877 DZLYUPMCHUQWOJ-KRWDZBQOSA-N 413.459 0.856 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cnn(CC(=O)NC4CC4)c3)C2=O)cc1 486918463 AJHAFDOKKHWKFU-GOSISDBHSA-N 421.461 0.956 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)c(F)c2)C1=O 488027191 DRWJVFBZDHKZQO-CJNGLKHVSA-N 420.372 0.330 30 20 HCED CN(C)[C@@]1(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CCSC1 491145122 KXNVYACQHOLVKP-LJQANCHMSA-N 413.507 0.690 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccc1 502054554 SOGBBQFKEOGQPN-UHFFFAOYSA-N 419.510 0.691 30 20 HCED Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N(CCC#N)CCN1CCOCC1 502547393 VFGAXKBGEWHQDN-UHFFFAOYSA-N 410.478 0.757 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1CC 505681626 NVOQXFGGKQQIML-UHFFFAOYSA-N 419.304 0.892 30 20 HCED CN1C(=O)C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1ccnn1C 506868809 UUIMPJHFIGDWHV-ABSDTBQOSA-N 420.473 0.728 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@@H](C)O1 507197035 SGFXXANJCVSXLW-BETUJISGSA-N 410.456 0.337 30 20 HCED C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C(=O)OC)C1 508832439 KMEZBQSUJBCSDX-AWEZNQCLSA-N 420.495 0.802 30 20 HCED C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(N(C)C)no2)C1 508883621 BYAMGWDVVJQPIY-OLZOCXBDSA-N 424.531 0.907 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1 508986165 IMFPFCWQAMHEOF-ZDUSSCGKSA-N 408.842 0.982 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)NCC(=O)NCC#N)cc(Br)c1F 509002355 ZAYUAQOHNHQHAK-UHFFFAOYSA-N 415.175 0.069 30 20 HCED CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 510703582 VGQQAYLNWPXSCK-UHFFFAOYSA-N 412.443 0.451 30 20 HCED C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)NCC(=O)NCC#N)CC3)cc2NC1=O 511901983 RVLLEEAMCNUVCU-LBPRGKRZSA-N 413.434 0.650 30 20 HCED CCn1c(N)c(C(=O)CN2C[C@@H](C#N)[C@@]3(C2)C(=O)Nc2ccccc23)c(O)nc1=O 513979898 LHGHWVRXXMJUHA-BIBXISHDSA-N 408.418 0.079 30 20 HCED CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 514317457 QZYBDBQBXHWVTG-UHFFFAOYSA-N 415.471 0.790 30 20 HCED C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1 524181248 MBJIEJMEJSIWIC-UHFFFAOYSA-N 414.462 0.529 30 20 HCED CCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 532201738 LZXRVCDXZWHLOS-DZGCQCFKSA-N 413.521 0.651 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccnn1Cc1cnn(-c2ccccc2)c1 540788105 WSHXCGWMGQHLDL-UHFFFAOYSA-N 407.434 0.474 30 20 HCED CN1CCN(C)[C@@H](c2noc(CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)C1 546496468 TWNYWPWPLRPEKG-JKSUJKDBSA-N 409.450 0.917 30 20 HCED C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2cnccn2)CC1)C(C)C 551217172 JSMISTSDVNVPLT-GOSISDBHSA-N 400.527 0.940 30 20 HCED CCN1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 551970804 XHOIDGXAPGFCNP-UHFFFAOYSA-N 406.508 0.658 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 552594459 UIQCEKAZKRKQCO-GOSISDBHSA-N 415.490 0.448 30 20 HCED N#Cc1ncn(CCNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)n1 553503904 LPDANZOBBCLKNX-UHFFFAOYSA-N 403.196 0.325 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(Cn2cccn2)cc1 556224140 VIXYZZNMQZWNJG-UHFFFAOYSA-N 420.477 0.816 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 557009520 LYTLOXWQZUJZHM-UHFFFAOYSA-N 421.523 0.936 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 562085146 FYWVWFATAZMTMJ-GOSISDBHSA-N 424.548 0.161 30 20 HCED COCC[C@@H](Cc1ccco1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 565626211 NHBWKUDXPHYHNO-KRWDZBQOSA-N 411.462 0.959 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 566945815 MJWSDTBJAOEUCH-UHFFFAOYSA-N 407.415 0.928 30 20 HCED CCN1CCC[C@H]1CN(CCN(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568333584 DXCCFXCQLUIEIO-SFHVURJKSA-N 421.567 0.711 30 20 HCED C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 582576866 DOGLJYNXLXZDER-QFBILLFUSA-N 419.551 0.321 30 20 HCED N#CCN1CCC(NC(=O)C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 588124804 LBUWTNGZZKBSAF-QGZVFWFLSA-N 416.457 0.652 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C 588153791 REWGXAYDNCFFMP-LBPRGKRZSA-N 404.513 0.969 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CN(C)Cc4ccccc43)CC2)c1C#N 588766847 ONHGMUGDXBMIDA-IBGZPJMESA-N 421.505 0.552 30 20 HCED C[C@@H](CO[C@H]1CCOC1)NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 588884665 LLBVDQQSFISTFW-ZFWWWQNUSA-N 417.466 0.382 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 589729741 ZGRMMKUUXZJSNA-CQSZACIVSA-N 416.434 0.897 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CC(C)C)c2=O)o1 603795079 AFTROXIKXNRSFE-UHFFFAOYSA-N 401.488 0.829 30 20 HCED CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CC[C@](F)(C#N)C2)CC1 615540661 WCMOCWMPQHQNSH-SFHVURJKSA-N 409.487 0.770 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1 670228791 XWHGQWZGBOFEAP-UHFFFAOYSA-N 409.468 0.129 30 20 HCED C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCCN(S(C)(=O)=O)CC2)C1=O 725766783 YXLKDZZFOFUWIT-SFHVURJKSA-N 405.480 0.250 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccc(CNC(C)=O)cc2)C1=O 726043342 VGNVUZOQHLWACH-UHFFFAOYSA-N 401.375 0.025 30 20 HCED N#Cc1c(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)cn2ccccc12 728915505 VEHQHZWCMLZFBZ-INIZCTEOSA-N 422.532 0.445 30 20 HCED C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)N(C)CCC#N 729656951 BCRAPDXPZMYSJI-NSHDSACASA-N 403.407 0.937 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C 730396047 LDCBGMOSCCVZMP-HIFRSBDPSA-N 410.496 0.531 30 20 HCED N#C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1Cc1ccccc1 733946553 NCTFROGPWURIDI-QGZVFWFLSA-N 423.498 0.962 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(Cl)nc3N)CC2)o1 734033671 UWBNFXDDQMAAJM-UHFFFAOYSA-N 404.814 0.991 30 20 HCED C#CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 734221620 LJIYETXJYPXZLL-UHFFFAOYSA-N 423.425 0.856 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 744521015 FUHMMCIFQAFNMB-DZGCQCFKSA-N 403.460 0.671 30 20 HCED O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CCOCC2)CC1 747431007 HMVXZQMRQWGPMU-UHFFFAOYSA-N 406.508 0.438 30 20 HCED C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)CC1 747972639 CPIUKGNJERGVJD-UHFFFAOYSA-N 414.462 0.973 30 20 HCED C#CCN1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 756544837 WZBMKFUIKAINDA-INIZCTEOSA-N 422.503 0.971 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2OC(F)F)CC1 761039676 XYAUUWLPXZMSNP-UHFFFAOYSA-N 402.423 0.312 30 20 HCED C[C@H](CC(=O)N1CCS(=O)(=O)CC[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 762509102 SCXZMHZOVBHSOV-CHWSQXEVSA-N 413.521 0.539 30 20 HCED C[C@@H](O)c1cn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 763002859 BOHUVNOFCWTVMP-XSBGSACPSA-N 406.468 0.783 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H]1CCN(CC(F)(F)F)C1=O 767680567 MNJGSFNDQVQHKO-GXFFZTMASA-N 419.381 0.931 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)Cc1c[nH]c2ccccc12 770430247 LGTRLGQDCKBICS-CQSZACIVSA-N 412.471 0.926 30 20 HCED COc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccon3)c2=O)ccc1[N+](=O)[O-] 770658442 VECFFUUVEWGDJB-UHFFFAOYSA-N 409.383 0.890 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 771471396 POAFYJISZKVKJM-CHWSQXEVSA-N 409.468 0.479 30 20 HCED CNC(=O)[C@H](C#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771579664 SEQXLAPPLWTYGF-BZNIZROVSA-N 407.224 0.671 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C)c(F)c3)c2=O)cn1 772277536 BUIDJWZDOQJURL-UHFFFAOYSA-N 409.446 0.893 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)[C@@H]1CCCO1 773796746 QBFGLFZFAQQZPE-MOPGFXCFSA-N 412.490 0.619 30 20 HCED N#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1 780173312 HXXBDUCQYBBLMR-UHFFFAOYSA-N 415.475 0.974 30 20 HCED C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 780204511 HRCIBROLNDADEH-BDJLRTHQSA-N 403.416 0.809 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C2CC2)c(=O)n1CCOC 782601218 NRQSXEWJCOACJF-UHFFFAOYSA-N 418.544 0.919 30 20 HCED C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 782987252 NYGKMVYFFDIGKM-HNNXBMFYSA-N 403.478 0.432 30 20 HCED 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COCCOCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C(C)(C)NCCC#N)CC2 1814304085 FKZQLLUCTSDPQJ-ZDUSSCGKSA-N 423.539 1.000 30 20 HCED C=CCNC(=O)/C=C\C(=O)Nc1cc([C@@H]2CCCCN2C(=O)COCCO)[nH]n1 1814438329 NKCFWXGCXSCCFK-XHPSBEMXSA-N 405.455 0.269 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)c3cc4ncccn4n3)sc2C1 1819014689 PUGKJIAVLNFTFV-JTQLQIEISA-N 410.415 0.500 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@H]1CCc2nc(NC(=O)CCNC(=S)NC)sc2C1 1819802297 JEHXINPCZRQMMN-RYUDHWBXSA-N 423.564 0.577 30 20 HCED CCOC(=O)N[C@H](O)C(=O)N[C@H]1CCc2nc(NC(=O)[C@@H](C)S)sc2C1 1826023882 MXLRUTSGITZQQY-BFHDXFOESA-N 402.498 0.438 30 20 HCED C=CCC(=O)Nc1nc2c(s1)C[C@H](NC(=O)CN1CCN(C(C)=O)CC1)CC2 1826054969 FUOVVSILUCOMGC-CQSZACIVSA-N 405.524 0.795 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4c(F)c(C)nn4C)C3)C2)C1 1829665278 YUXAVTWBLUPUGC-FQEVSTJZSA-N 406.458 0.904 30 20 HCED Cc1cccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)C(C)(C)C#N)CCO3)n1 1830049830 FDOWNEXYHIFMOZ-NRFANRHFSA-N 400.479 0.939 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C/N=C/c3ccco3)C2)C1 1831396368 KWFMOVUDXXJXGX-DNPICXIKSA-N 417.462 0.193 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)ccc3F)C2)C1 1831398457 CCFZCOXUGJDYHV-VFNWGFHPSA-N 420.437 0.640 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)CN3CCCC3=O)C2)C1 1831406247 BYBYVCFRFXYODY-OAQYLSRUSA-N 423.510 0.048 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)C3(O)CCC3)C2)C1 1832448224 SCUKSEGEVHTWRT-LPHOPBHVSA-N 412.552 0.913 30 20 HCED C#CCCC(=O)N1CCCC[C@H]1C1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1 1832824382 DSYDWERCAWPMTG-IBGZPJMESA-N 423.579 0.750 30 20 HCED CC(=O)N(C)CCC(=O)NC1CCN(C2CCN(C(=O)C#CC3CC3)CC2)CC1 1833668703 ZFKLNBFPCAZALK-UHFFFAOYSA-N 402.539 0.840 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccnc(Cl)c3)CCO2)C1 1834179553 ZMDWBXYDVRTGCH-QRWLVFNGSA-N 421.881 0.843 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccnn3CC)CCO2)C1 1834410937 FWIUCYYOIDQAJG-OXJNMPFZSA-N 404.467 0.011 30 20 HCED C[C@H](C(=O)N1CCC(N2CCC(NC(=O)CCC#N)CC2)CC1)N1CCN(C)CC1 1834607111 HSRJKUOCTGXISQ-GOSISDBHSA-N 418.586 0.498 30 20 HCED CCOC(=O)O[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 1835346934 ZWFOMKUFZUNUJT-KUHUBIRLSA-N 409.439 0.308 30 20 HCED Cc1occc1C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835673037 SDKDBFUXJUPYOX-NRFANRHFSA-N 418.494 0.940 30 20 HCED C/C=C/C=C\C(=O)N1CCOC[C@]2(C1)CN(C(=O)C(C)(C)NCCC#N)CCO2 1835682694 RDQKGQZMZBGIRC-RLOXXNJGSA-N 404.511 0.857 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C/N=C/c3ccco3)CCO2)C1 1837559728 CTUJJYOBFJFDDE-YKABMDOLSA-N 419.478 0.746 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1839175889 KKTTYLSMWOPCSX-OAQYLSRUSA-N 424.494 0.257 30 20 HCED C=CC[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)N3CCN(C)CC3)C2)C1 1839844793 VIPBSFHCGSMYKZ-DXIQSLLYSA-N 422.570 0.291 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccc(C)n3)C2)C1 1839888374 JXEYZNWXQYISRI-SFHVURJKSA-N 412.437 0.859 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)Cn3ccnc3)C2)C1)C(F)(F)F 1839891970 KEWTYRWRCCKJLJ-INIZCTEOSA-N 402.373 0.458 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C(=O)OC)CC1)CCO2 1839895531 HOIJAYNBXRMGDL-SFHVURJKSA-N 412.508 0.315 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)CCO2 1840047617 BOYLPYJAAZSCPC-NLJKLAEJSA-N 408.495 0.601 30 20 HCED C[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3nn(C)c4c3CCC4)C2)C1 1840160408 GQNBRDICMYCAKK-ORAYPTAESA-N 408.524 0.297 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](N)c3ccccn3)C2)C1 1840292383 LSMSFEVWIAEVCQ-UNMCSNQZSA-N 414.506 0.731 30 20 HCED COc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840814728 FOUFFVNXWRZOAZ-HXUWFJFHSA-N 417.466 0.193 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4n[nH]cc4[N+](=O)[O-])C3)C2)CCC1 1840814814 ZPCYEDQNAHHXEC-GOSISDBHSA-N 418.410 0.082 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CCCN2C(=O)CNC(C)=O)C1 1845992514 ZSXBNYKGLPFMAG-OAHLLOKOSA-N 406.483 0.243 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1 52714222 XMNJVTJYRBXCCS-UHFFFAOYSA-N 408.480 0.035 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2)CCO1 410096338 AHKYHEAJUNXUOM-GFCCVEGCSA-N 403.258 0.446 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)C1=O 410114184 BLGFLYGWYCLXRM-HNNXBMFYSA-N 401.435 0.879 30 20 HCED N#Cc1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c(F)c1 433517771 MZYPOTVEFUBKPY-GFCCVEGCSA-N 401.350 0.921 30 20 HCED C=CCSCCNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 434592819 AVSSBHNZSHKROH-UHFFFAOYSA-N 404.496 1.321 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2C(=O)NCC[C@H]2C)cc1 443259620 AEXPVTUUQJCWTP-IUODEOHRSA-N 408.480 0.072 30 20 HCED C[C@H](O)CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)CO 443794221 YXSIYQKTPFJIMU-GJZGRUSLSA-N 409.508 0.549 30 20 HCED CCc1nnc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)c1CC 467731588 LZWDZNXPDXMHRK-GJZGRUSLSA-N 422.555 0.949 30 20 HCED C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](CO)O1 470378176 XBEBJWMMLJYORC-YOEHRIQHSA-N 407.492 0.567 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC3CCN(C[C@H]4CCOC4)CC3)CC2)c1C#N 472052618 KPIYIYKBEJEKJV-QGZVFWFLSA-N 415.542 0.933 30 20 HCED COc1ncc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1C(N)=O 483112104 GLUKGDWAKOHPPF-JTQLQIEISA-N 403.420 0.366 30 20 HCED N#Cc1ncn(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1C#N 499490623 KKUOQPVINBYWCZ-GOSISDBHSA-N 406.402 0.137 30 20 HCED N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1 500249231 SHLNVGUXYXSRNU-CQSZACIVSA-N 417.495 0.188 30 20 HCED C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](CNS(N)(=O)=O)C1 500306318 JBCSCXXKHVDROJ-RYUDHWBXSA-N 411.553 0.941 30 20 HCED CC(C)(C)S(=O)(=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 502220968 TYSBNWVDHQBNAB-UHFFFAOYSA-N 413.521 0.604 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)[C@@H]3COCCN3CC(F)(F)F)CC2)c1C#N 507824175 IZQHXHQFGPECQO-AWEZNQCLSA-N 400.405 0.512 30 20 HCED C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCS(=O)(=O)CC1 508839854 ILKNHAJYMNSTEI-UHFFFAOYSA-N 424.552 0.967 30 20 HCED CC(C)(C#N)CNC(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 510682715 NWRLEDAEDCWSCS-UHFFFAOYSA-N 401.467 0.353 30 20 HCED CN(CC(=O)N1CCN(Cc2nccn2C)CC1)S(=O)(=O)c1ccc(C#N)cc1 517989855 QSYCDPQZJFFEOO-UHFFFAOYSA-N 416.507 0.257 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccc(OC)nc1 524275419 AZYOPQJACQCYRO-UHFFFAOYSA-N 406.467 0.860 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC(N)=O)c2=O)s1 527030393 AEQNEQOWOHAECL-LBPRGKRZSA-N 417.512 0.264 30 20 HCED CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2C)c1=O 527030646 ZCRHPTSNBDRWNK-CQSZACIVSA-N 416.503 0.179 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc(OC)nc1 530654531 WEABQPPNYNMURD-UHFFFAOYSA-N 423.479 0.485 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCCO3)c2=O)nc1 533884844 OCRGYVSGTHESTD-QGZVFWFLSA-N 424.526 0.964 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(N)=O 539770133 TWCZAJLJMPCFJC-NSHDSACASA-N 401.463 0.961 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(N)cc2)CC1 541820860 KRQQVOVKIIRCKB-UHFFFAOYSA-N 406.489 0.836 30 20 HCED CNS(=O)(=O)c1cccc(NC(=O)CNS(=O)(=O)Cc2cccc(C#N)c2)c1 553034563 KXCFIAFZMFJYTN-UHFFFAOYSA-N 422.488 0.524 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 553671983 FGCHRINEPVCZCR-LJQANCHMSA-N 409.490 0.936 30 20 HCED CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 554152522 ZAYMDOKJBKZBDT-HNNXBMFYSA-N 413.457 0.960 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 554200645 CUMQAVBSMTZNJY-GOSISDBHSA-N 418.457 0.524 30 20 HCED N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 554669743 RHCJCJKSNKHJPM-OAHLLOKOSA-N 404.492 0.608 30 20 HCED C[C@@H](CC#N)N(C)S(=O)(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 556391614 FDGYXNWZXUJHQF-ZDUSSCGKSA-N 400.526 0.774 30 20 HCED CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 561707048 LPRUALRXCSEBQM-LJQANCHMSA-N 411.506 0.718 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 563342397 YHGBTMRYCOPQNN-MRXNPFEDSA-N 401.467 0.132 30 20 HCED CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)CNC(=O)c1ccc(C#N)cc1 570241026 GUCALTPQTKCOFQ-INIZCTEOSA-N 407.496 0.065 30 20 HCED CN(CCN1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 572469949 GFKXQHJPZLLGBM-QGZVFWFLSA-N 417.485 0.573 30 20 HCED CCOC(=O)C1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 585773456 RWDLMYPDPRTLQY-UHFFFAOYSA-N 413.478 0.840 30 20 HCED CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)cc1 588115162 OZZSWIXZEUFDFA-UHFFFAOYSA-N 400.526 0.641 30 20 HCED Cc1cc(S(N)(=O)=O)ccc1CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589497946 KWWLXKNMOLMIDF-UHFFFAOYSA-N 422.488 0.109 30 20 HCED Cn1cc(S(=O)(=O)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 603669872 ITBFMOZQQOHXRD-KRWDZBQOSA-N 420.470 0.247 30 20 HCED N#CCN1CCC(NC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 609425702 YZUJTPXZHFVDRW-UHFFFAOYSA-N 416.501 0.871 30 20 HCED CN(CC(=O)NC[C@@H]1CCCN1c1cccnn1)S(=O)(=O)c1ccc(C#N)cc1 609836688 KJSXTURYKMLJQV-INIZCTEOSA-N 414.491 0.754 30 20 HCED COCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 610084822 OBOGIGRMPSUKGP-CQSZACIVSA-N 412.487 0.545 30 20 HCED COCC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 610154455 WMISZOYAGSRTDB-SFHVURJKSA-N 422.507 0.178 30 20 HCED CN1CCC[C@H](N2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)C1 611361164 VTVNPDJTANGCNL-INIZCTEOSA-N 401.515 0.687 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 615253707 BGPGLPPOBKIUDT-UHFFFAOYSA-N 402.451 0.923 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](F)(C#N)C3)CC2)c1 682435224 NIUMZPPLBPYFMO-LJQANCHMSA-N 422.482 0.660 30 20 HCED COC(=O)Cn1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 727675597 LOQGULOBZBKEJO-UHFFFAOYSA-N 405.436 0.514 30 20 HCED N#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 731233778 PYRCDWUZVLDFLK-GFCCVEGCSA-N 415.855 0.594 30 20 HCED CNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 732496312 RAPVJKZXQQTKFE-HKUYNNGSSA-N 404.426 0.955 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C)c2=O)cn1 732562825 KKQXVHQWLIIHBO-UHFFFAOYSA-N 408.439 0.778 30 20 HCED N#C[C@H](C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)N1CCS(=O)(=O)CC1 732910284 MSZUPXWNVGAUHH-CHWSQXEVSA-N 423.878 0.659 30 20 HCED N#Cc1ccc([C@H](OC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)C(N)=O)cc1 734556399 PRBCLZCGTIIKNK-IRXDYDNUSA-N 409.377 0.887 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1=O 735518600 VZIARGWOIXRPDF-HNNXBMFYSA-N 401.419 0.877 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@](C)(O)C2CC2)c1 737308052 WDLGUAXZIHYNOO-ODENVGOISA-N 422.507 0.715 30 20 HCED COc1ccc(NC(=O)NC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741341189 JHHXAAUHMSJJAQ-ISLYRVAYSA-N 416.390 0.803 30 20 HCED CC(C)C[C@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 747018979 SNVOYBRDSMELBY-GBPUDXIESA-N 424.523 0.961 30 20 HCED C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 747735071 HJXAPSXTAMRJAP-UHFFFAOYSA-N 419.503 0.309 30 20 HCED C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 747850227 WCPIGQYEBWVGCO-UHFFFAOYSA-N 419.503 0.309 30 20 HCED CN(C[C@@H]1CCOC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749778791 RDJAIQNSOPQUSO-NNLSSIJJSA-N 422.507 0.933 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)COc2ccc(S(N)(=O)=O)cc2)cc1 750172131 WSKCSUDLTZTCIZ-UHFFFAOYSA-N 403.416 0.444 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCOCC2)cc1 750364272 AEMJOIVQOWEHBB-XLNRJJMWSA-N 422.507 0.981 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)c2ccccc2S(C)(=O)=O)c1=O 754757573 XTQXARHBBDYGFQ-UHFFFAOYSA-N 406.464 0.041 30 20 HCED C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 756750708 UHUFXTOVYXMXRX-MLGOLLRUSA-N 417.447 0.307 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 758412549 XQVDXHCFJXALJW-BFHYXJOUSA-N 415.516 0.469 30 20 HCED C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)Nc1cccc(C#N)c1 762391456 IPAXASLURGSZHJ-LBPRGKRZSA-N 400.416 0.926 30 20 HCED 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C=C[C@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C2 1797712064 PASRHJZJDMHNMX-LMWOUKEDSA-N 406.439 0.699 30 20 HCED COc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cncnc2)C3)c1 1798574284 WXJVPDOZIFDTKR-IZZQQSIFSA-N 407.430 0.874 30 20 HCED CC(=O)Nc1cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)ccn1 1798693546 LNCOJLYUXICBAM-HGKCTWBKSA-N 422.445 0.757 30 20 HCED CCN(C)[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1800163385 OOQRYGUFSMAFLR-FCBVUKGKSA-N 410.515 0.445 30 20 HCED C=CCC(F)(F)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@H]1CCCS1(=O)=O)C2 1800546024 KDJYLYUVZXHZRM-XJFOESAGSA-N 406.451 0.365 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)c1ccccc1 1802115555 GXVMOWXSBIDAGG-PEHHYFEISA-N 405.520 0.713 30 20 HCED N#Cc1c[nH]c(C(=O)N2CC[C@H](CNC(=O)[C@@H]3CNC(=O)O3)[C@@H]2c2cccnc2)c1 1803648965 PKBSJAXGZIRNAY-PVAVHDDUSA-N 408.418 0.709 30 20 HCED 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HCED N#CC1(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)CN2C(=O)C=CC2=O)CC3)CCC1 1828019093 VUANYCHLQVGCSJ-LLVKDONJSA-N 413.459 0.674 30 20 HCED C=C1CC(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4cnc(OCF)cn4)C3)C2)C1 1829664934 HDOHITCCAMFHCT-FQEVSTJZSA-N 420.441 0.819 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CCC[C@@H]3C)C2)C1 1829770418 OKLQDYFGRQUJOB-RZWOQVAPSA-N 419.522 0.737 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnoc3C3CC3)C2)C1 1831390908 ADSMGKCKCMPAFT-YCRPNKLZSA-N 417.462 0.660 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(CO)on3)C2)C1 1831410418 ALEYPXYLTSHQDI-HXUWFJFHSA-N 423.466 0.220 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](O)c3ccccc3)C2)C1 1831425598 VXQRUJSVFRLLFE-LQBOVUBWSA-N 418.490 0.768 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(O)nc3)C2)C1 1831492422 LECYWRCJIJRCQA-QFBILLFUSA-N 409.508 0.812 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@@]2(C1)CN(C(=O)C(C)(C)CSC)CCO2 1831530181 VRLRIAKXJFKSPU-OXJNMPFZSA-N 412.552 0.870 30 20 HCED Cc1ccc(CCC(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)s1 1832888568 OGXCUAXDILLJCU-FQEVSTJZSA-N 420.487 0.534 30 20 HCED C#CCCC(=O)N1CCC(N2CCC(NC(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 1833786933 NVWZGAJHRRESKI-UHFFFAOYSA-N 416.482 0.776 30 20 HCED CCc1ncccc1C(=O)NC1CCN(C2CCN(C(=O)C#CC(=O)O)CC2)CC1 1833974408 DFCYPEKWLPMLDN-UHFFFAOYSA-N 412.490 0.917 30 20 HCED CC[C@@H](O)C(=O)N1CCC(N2CCC(NC(=O)/C=N/O[C@H]3CCCCO3)CC2)CC1 1835765197 AURMALVQDADETM-UQCJYHDNSA-N 424.542 0.858 30 20 HCED C=CCC(CC=C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3[nH]nnc3C)CCO2)C1 1836298379 UUCABNQNCROQEG-FQEVSTJZSA-N 403.483 0.952 30 20 HCED CCOC(=O)N[C@@H](O)C(=O)N1CCC(OC2CCN(C(=O)C#CC3CC3)CC2)CC1 1836824601 PHPCRBVOLWVHQB-IBGZPJMESA-N 421.494 0.463 30 20 HCED CC[S@](=O)CCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](S)C(C)C)C2)C1 1837234737 KFOTVDLLLYDOMB-LGGJOLOLSA-N 420.597 0.556 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)Cc3cnc[nH]3)C2)C1 1837563231 USWKIBHWUOCANS-WHEDMDOKSA-N 415.450 0.121 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1cc(C)[nH]n1)CCO2 1837584450 NYZYSLOWGRFECA-LJQANCHMSA-N 408.524 0.636 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCO[C@@]3(COCCN(C(=O)c4ccccc4O)C3)C2)c1 1838732614 WGQMIWKAWBEHIF-OAQYLSRUSA-N 410.430 0.976 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)CN3CCCC3)C2)C1)C(F)(F)F 1839891001 GPRJMJAXGBRULH-QGZVFWFLSA-N 405.417 0.657 30 20 HCED C=C(C(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H]3CCCN(C)C3)C2)C1)C(F)(F)F 1839893709 KXIRIPFJOLECOI-YJBOKZPZSA-N 419.444 0.903 30 20 HCED COC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC[C@@]3(CN(C(=O)[C@H](C)S)CCO3)C2)C1 1840157264 JTEJFRNFONBYIZ-XTDOFWJNSA-N 414.524 0.350 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3NC(=O)C4)C2)C1 1840163064 CHHRZXFLMLWFFA-XCLFUZPHSA-N 419.503 0.570 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)C(=O)c3cccn3C)CCO2)C1 1840481408 TXRMJCUXBHFIGX-XLIONFOSSA-N 423.535 0.619 30 20 HCED N#CC1(C(=O)N2CCO[C@@]3(COCCN(C(=O)CCc4cncnc4)C3)C2)CCC1 1840812784 LGPPHMAIOSYEAQ-OAQYLSRUSA-N 413.478 0.559 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCC[C@@H](C(=O)OC)C3)C2)C1 1840844830 ODGYAJDZWDYMNV-JBYIUTFZSA-N 420.506 0.836 30 20 HCED CCN1CCC(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC4CC4)C3)C2)CC1 1840925770 JZWBHIXIQIOFLJ-QFIPXVFZSA-N 403.523 0.588 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)[C@@H]3CCC(=O)NC3)C2)c(C#N)c1 1841114032 SQLOLHXQNWROTA-MRXNPFEDSA-N 410.474 0.839 30 20 HCED Cn1cccc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)c1=O 1841720857 NLGLXSAVLMMFGP-RHLNUJDMSA-N 402.451 0.731 30 20 HCED O=C1NCCCn2nc(C(=O)N3CC4(CCCN4C(=O)C/N=C/c4ccco4)C3)cc21 1844314444 KBLVHVRQFRSATL-SSDVNMTOSA-N 424.461 0.546 30 20 HCED CCS(=O)(=O)c1ccc(CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc1 1845939632 GDIAMOKMOMWLLF-UHFFFAOYSA-N 418.471 0.314 30 20 HCED COC(=O)C12CC(C(=O)N3CCCC34CN(C(=O)C(C)(C)NCCC#N)C4)(C1)C2 1846113919 GGNGXNZWQQCKSU-UHFFFAOYSA-N 402.495 0.815 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCCC12CN(C(=O)C1(C#N)CC1)C2 1846216968 XTDGSORPEVVJJL-CABCVRRESA-N 418.494 0.864 30 20 HCED CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)c1 1846925000 HEYAIJHVNCSDDO-UHFFFAOYSA-N 424.862 0.649 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)c2ccccc2)c1 16559501 IHIOUEAZNQHIIF-UHFFFAOYSA-N 400.412 0.712 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 409506537 CNZIERBQXJQBFL-CYBMUJFWSA-N 404.489 0.468 30 20 HCED CCN(CCC#N)S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 409544214 KKSHKLWRIHHCCN-UHFFFAOYSA-N 416.525 0.277 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 409560407 ATHCNINWLKQECW-FQEVSTJZSA-N 421.567 0.643 30 20 HCED C[C@H](C#N)CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 409587491 WHOJAGHCUBGWKL-OAHLLOKOSA-N 400.526 0.719 30 20 HCED C[C@H](C(=O)N1CCOCC1)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 435055469 IOJVEWWNNPCUGV-WBVHZDCISA-N 417.535 0.590 30 20 HCED O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N(CCO)CCN1CCOCC1 437254306 JXWLBBQVPKJWPM-UHFFFAOYSA-N 422.485 0.573 30 20 HCED C=CCCOCCNC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 439125492 VEFULNOGNVIGMT-UHFFFAOYSA-N 402.439 0.739 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H]4C[C@@H](N(C)C)CC[C@@H]43)CC2)o1 441268809 QVZLVGSDUOPCAH-YTQUADARSA-N 416.526 0.687 30 20 HCED Cn1cc(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C(F)(F)F)n1 446448682 OYGPRTWSJYGVSP-UHFFFAOYSA-N 407.356 0.993 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)n2)c(Cl)c1 448390662 UTTLWTKZVAFIBF-UKRRQHHQSA-N 403.826 0.992 30 20 HCED N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)nc1 448521573 PFDFPNRVDOVJCQ-UHFFFAOYSA-N 415.479 0.158 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC1(C(=O)N(C)C)CCCC1 460599213 RTYAVDKQVBABSR-UHFFFAOYSA-N 423.477 1.151 30 20 HCED CCn1nccc1CN(CCO)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 477403181 TWYUXECYTWJCEV-UHFFFAOYSA-N 405.480 0.416 30 20 HCED COc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccon3)c2=O)n1 479366175 PJMLVXKYFLIMNZ-UHFFFAOYSA-N 423.454 0.131 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 481017766 VVXCXTABEDFCER-UHFFFAOYSA-N 413.521 0.940 30 20 HCED C=CCOC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1)C(=O)OC 481761432 JAOMAPXFDGXSHL-ZDUSSCGKSA-N 400.453 0.847 30 20 HCED O=C(NCC#Cc1ccccc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 484028013 TUZUJVAVWHKDIC-UHFFFAOYSA-N 412.471 0.973 30 20 HCED CCN1CCN(C[C@H](C)CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 495566068 UDSWXMUXNKLKDV-QGZVFWFLSA-N 421.567 0.569 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CCCC4)C3)CC2)n1 501645365 ZSTZEWLWSRJOAY-LJQANCHMSA-N 410.522 0.983 30 20 HCED COCCn1cc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505165615 LKIFJTYGJJXMPY-KRWDZBQOSA-N 410.434 0.651 30 20 HCED N#Cc1ccc(N2CCC[C@@H](NC(=O)CSCC(=O)N3CCOCC3)C2=O)cc1 508115830 DJPVWPNOWLAIBF-QGZVFWFLSA-N 416.503 0.762 30 20 HCED CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 510287162 BIQNRJPJBRFSAD-SFHVURJKSA-N 405.524 0.667 30 20 HCED N#CCCCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 510308106 ANRPFEFHEHIUFD-KRWDZBQOSA-N 400.435 0.449 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccccc1S(N)(=O)=O 511271525 DVNFJHDGMLZSKN-UHFFFAOYSA-N 402.432 0.859 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H](C)c2cccc(NC(C)=O)c2)CC1 514874997 AZNJSEXPABRRFK-OAHLLOKOSA-N 415.494 0.269 30 20 HCED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)s3)c(=O)n2C)CC1 514918432 IUFREOVJTOOBNK-UHFFFAOYSA-N 422.963 0.829 30 20 HCED COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)C(C)C)n(CC(N)=O)c1=O 516695420 ZVUFCTZKBPMIGP-UHFFFAOYSA-N 403.435 0.271 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 517249251 UYTXNXGETKSBSI-UHFFFAOYSA-N 412.498 0.813 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCC(C(=O)O)CC3)CC2)s1 517487156 JLQUCSXSPSCCNM-UHFFFAOYSA-N 412.493 0.843 30 20 HCED C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C1 519291368 WYZZIASUNKTMAU-ZBFHGGJFSA-N 420.491 0.797 30 20 HCED N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 520878269 SEOFLQKDDOXBIA-QGZVFWFLSA-N 413.521 0.514 30 20 HCED CNS(=O)(=O)c1ccc(CCC(=O)N(CCC#N)CCN2CCOCC2)cc1 522863203 QWYCDLGSXDBIHF-UHFFFAOYSA-N 408.524 0.602 30 20 HCED CCn1cc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccc4c(c3)CCO4)c2=O)cn1 523577767 GDJSQYYRGRKNDY-UHFFFAOYSA-N 421.482 0.299 30 20 HCED Cc1oc(NC(=O)[C@H](C)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C#N)c1C 533057375 LQSGRNNIFFXOIQ-APHBMKBZSA-N 410.496 0.183 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 538262675 GORJTRAQXFQZHE-OAHLLOKOSA-N 411.553 0.034 30 20 HCED CCc1nn(C)c(OC)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 540167887 ABLQAUPPQMVXPE-GFCCVEGCSA-N 405.480 0.846 30 20 HCED Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CCO2)n[nH]1 543004542 AKDHXYWXYKGODS-HNNXBMFYSA-N 424.396 0.848 30 20 HCED COC(=O)c1cn(C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)nn1 546076388 OXZJVOVDSMLKFZ-UHFFFAOYSA-N 420.407 0.870 30 20 HCED CC(C)(C)C(=O)NCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 552958491 RKVVMLHIYVWUOQ-INIZCTEOSA-N 413.478 0.054 30 20 HCED CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)CC1=O 553353818 IDFFGNQPHGMKEH-MOPGFXCFSA-N 410.522 0.935 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCc2c(Cl)cccc2OC)CC1 558330485 FMEJMZMUJVDYGM-UHFFFAOYSA-N 408.886 0.411 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c1 559129291 GOHATTYTUNBGGS-INIZCTEOSA-N 405.480 0.712 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCc2nc3c(s2)CCCC3)CC1 560933394 OWGKSCFTXUPUQS-UHFFFAOYSA-N 419.551 0.127 30 20 HCED CN(C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 561782424 CPRNMSLMRLACLV-IRXDYDNUSA-N 417.485 0.571 30 20 HCED Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C 566643669 HKHVMDXKLKQLOR-OAHLLOKOSA-N 407.496 0.582 30 20 HCED N#Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cnc1C(F)(F)F 571064778 FRUWWTPQDACDOP-QWHCGFSZSA-N 418.397 0.200 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCN(C(C)C)C(C)C)CC2)c1C#N 571692374 JINIJDZMAHRMSA-UHFFFAOYSA-N 403.531 0.484 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CCN(CC(F)F)CC3)C2=O)cc1 573401352 MJFZDPOWXFWUOW-INIZCTEOSA-N 419.432 0.185 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](CO)[C@H](O)C2)CC1 579998296 VGMGDYUPOUNTCM-GDBMZVCRSA-N 415.450 0.130 30 20 HCED COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 580669131 IZDPZECXRLRBST-AWEZNQCLSA-N 400.357 0.885 30 20 HCED CN1CCC(N2CC[C@H](NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)C2)CC1 588236831 JZORYIOIJFMZIE-IBGZPJMESA-N 424.549 0.492 30 20 HCED C=CCN1CCC(NS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 592285145 MPTZUVDKMMQMHH-LJQANCHMSA-N 422.507 0.679 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc3c(c2)CCO3)c1=O 603987208 GCSJLSDCOVMEGE-UHFFFAOYSA-N 413.499 0.520 30 20 HCED Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(CCC#N)CCCN(C)C 604440956 TWQMCAHHNKXCPC-UHFFFAOYSA-N 404.515 0.954 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)cs1 609337164 WIHVJRVEJNUQAW-UHFFFAOYSA-N 412.541 0.455 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCc3sccc3C2)C1=O 726043090 RGMIHVXGWWRXDQ-NSHDSACASA-N 405.432 0.541 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 728533011 RLIPJNZKIKIPTJ-UHFFFAOYSA-N 409.490 0.938 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2nnc(S)n2C2CC2)cc1 731442700 KFFCEMZQQUVWAK-UHFFFAOYSA-N 405.505 0.786 30 20 HCED CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1 733852000 PKBVTGSIQKEIGB-INIZCTEOSA-N 412.454 0.408 30 20 HCED COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 735054984 LPTPKONSUAAJCW-HDRCJFCASA-N 421.475 0.748 30 20 HCED O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc2c(cc1Cl)OCCO2 737306077 LNDPQRRJHXIODV-NXVVXOECSA-N 420.809 0.692 30 20 HCED CCn1c(S)nnc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742635119 DCTMKHHZIQWFIO-JTQLQIEISA-N 408.509 0.720 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)cc1 744033908 WYBUJVYLQFEMJZ-INIZCTEOSA-N 415.427 0.915 30 20 HCED C#CCN1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 745363066 GCQUBLFNYSSVIQ-UHFFFAOYSA-N 421.519 1.000 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)cn1 746434553 IYGJRFZGHRXMGF-UHFFFAOYSA-N 400.826 0.870 30 20 HCED CCOC(=O)CN(CC(F)(F)F)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 747650300 XYHFZVOHMFYRPZ-UHFFFAOYSA-N 407.370 0.679 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1C#N 752204298 MRESZNGGYRJMAE-UHFFFAOYSA-N 406.424 0.999 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1C 755550547 WREXLXOIQSUCDF-AAEUAGOBSA-N 419.438 0.625 30 20 HCED C#CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cnn(CC)c2)c1=O 758078193 ZZSIGXICEOPHKH-UHFFFAOYSA-N 419.514 0.629 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(c2ncccc2F)CC1 761516825 IDEYNFDVYYTWQX-UHFFFAOYSA-N 403.439 0.608 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1 761920348 FEPCIGHWCAJPCA-UHFFFAOYSA-N 411.911 0.988 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763434738 LFTCXFJTRJTLGJ-UHFFFAOYSA-N 414.531 0.800 30 20 HCED C[C@@](C#N)(NC(=O)COC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 767535116 BYDNDUODZMGTII-NRFANRHFSA-N 413.478 0.862 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CCC1 771054159 ANPUMPPKCZPRDM-OBJOEFQTSA-N 400.526 0.852 30 20 HCED CCCOc1c(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cccc1OCC 771897374 DQQFZDWBTLZNOR-UHFFFAOYSA-N 424.479 0.584 30 20 HCED CC1(C)CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCS1(=O)=O 773674510 GWCWOZCGSHBRIR-UHFFFAOYSA-N 413.521 0.541 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)[C@H]1CCCO1 773793791 LDEYVBUFLYOSQA-GOEBONIOSA-N 404.854 0.512 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)c1 773841607 KQHKLIFDRYUIHY-UHFFFAOYSA-N 402.388 0.592 30 20 HCED C#C[C@H](NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1)[C@H]1CCCO1 776228595 ABWPWMWPFQYTJJ-ZWKOTPCHSA-N 419.503 0.738 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)CC2CC2)cc1 783914130 RRPCGIJHHNDUKK-FXBPSFAMSA-N 422.507 0.669 30 20 HCED C[C@H](OC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)NC1(C#N)CCC1 787677785 LUEJAIKFNCEVFM-LBPRGKRZSA-N 403.395 0.888 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(C(N)=O)c(Cl)c2)n1 789789431 VMAXDUVZVWGXAN-UHFFFAOYSA-N 417.853 0.882 30 20 HCED C#CCC[C@H](O)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 799081143 HEYVZMOGYBKZSB-JKSUJKDBSA-N 414.911 0.764 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 799288420 ZEGQUNXKMILWSZ-LPHOPBHVSA-N 413.474 0.684 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(Cl)cc1F 807328503 KDBYXRJERGIONB-CYBMUJFWSA-N 406.805 0.588 30 20 HCED C#CCOc1ccc(NC(=O)C(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 807544082 VRLKPRPDCBYEJB-OAHLLOKOSA-N 419.503 0.958 30 20 HCED Cc1ncc(CCNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 807935003 PPVCCSZFSKWPEW-QGZVFWFLSA-N 411.487 0.899 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)cc1 808449665 FLTNSYKNWZZZKO-BHIYHBOVSA-N 403.504 0.975 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3COc4ccccc4[C@H]3O)n2)cc1 808972137 VZCNJXOAILNPLE-SJLPKXTDSA-N 418.413 0.747 30 20 HCED N#Cc1cncc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 810032362 OUKOKLHUSCQAIZ-UHFFFAOYSA-N 409.445 0.742 30 20 HCED CCCc1nnc(SCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1N 813516448 IXOQOATZPKNGCX-VXGBXAGGSA-N 409.516 0.912 30 20 HCED COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 815718430 AUVKRIHARUVUJA-UHFFFAOYSA-N 422.445 0.825 30 20 HCED C/N=C(/NCCCN1CCN(Cc2ccccc2)CC1)NCCN1CCOCC1 849060876 XBSLMBXOMWNTRN-UHFFFAOYSA-N 402.587 0.692 30 20 HCED N#CCc1ccc(NC(=O)COC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1 904534219 WTJVKLGYDOHUEJ-UHFFFAOYSA-N 420.433 0.984 30 20 HCED CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 919549037 MPFBSNUXEMUDPU-UHFFFAOYSA-N 412.450 0.856 30 20 HCED Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1C#N 1116748572 RULYXECFXHEPGY-UHFFFAOYSA-N 414.491 0.996 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](OCCN3CCCC3)C2)cc1 1137369623 NIIYATQWQVUMPT-KRWDZBQOSA-N 406.508 0.550 30 20 HCED CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=c1ccn(C)c(O)n1 1144325147 RTSNKKVYVXPOEN-ZDUSSCGKSA-N 403.464 0.851 30 20 HCED COCC(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1248733336 VCXGUIITZVZYQK-UHFFFAOYSA-N 408.480 0.246 30 20 HCED C[C@H]1[C@@H](C)N(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1251969399 QVSVZSMFOCMKGY-WWGRRREGSA-N 418.475 0.797 30 20 HCED Cn1cnnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1314917438 XAKUEBCFGWSOHE-CXAGYDPISA-N 404.500 0.487 30 20 HCED CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CC(C)(C#N)C2)c(O)nc1=O 1559799247 RKRJMROPLAMGFP-CYBMUJFWSA-N 406.487 0.545 30 20 HCED CNC(=O)CN1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1625088814 RFEXIINMQFSCML-CQSZACIVSA-N 417.897 0.891 30 20 HCED CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1691512555 JBNAYKWPCJWHFZ-UHFFFAOYSA-N 416.507 0.824 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CC2(O)CCC2)cc1 1698489618 XWDHEMHQIAPJFO-UHFFFAOYSA-N 417.491 0.879 30 20 HCED C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)C1)c1ccccc1 1705743178 PYKPMOJBKQYKMS-MRXNPFEDSA-N 401.492 0.830 30 20 HCED CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1710195971 SMISJONMCNWWHP-UHFFFAOYSA-N 414.495 0.957 30 20 HCED C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1712713962 MCORJLCIINIJSL-MHZLTWQESA-N 419.532 0.963 30 20 HCED C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCOC1 1741916216 VHVNABGMAWHKHS-CXAGYDPISA-N 412.516 0.170 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccoc1 1761499204 MWYLEILKQGBDNI-BBRMVZONSA-N 419.511 0.706 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc4nncn4c3)C2)C1 1778593707 KEHKZHZKFYFWEJ-RMUOZIPVSA-N 424.461 0.031 30 20 HCED CC#CC[C@@H](C(=O)N1CCO[C@@]2(CCN(C(=O)C3=NNC(=O)C3)C2)C1)c1ccccc1 1778940085 VEROBAQZAWACEV-WZONZLPQSA-N 422.485 0.889 30 20 HCED CCNC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1778958144 YBFQDTNCUNJDLB-VFNWGFHPSA-N 413.478 0.709 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)Cn1ccnc1)CCO2 1779063430 YAMZACYYFPKKMK-OAQYLSRUSA-N 400.479 0.412 30 20 HCED CNC(=O)CC(=O)N1CCO[C@]2(CCN(C(=O)c3cc(C#N)cc(OC)c3)C2)C1 1780169297 PMCNHUQUPXIBHR-HXUWFJFHSA-N 400.435 0.146 30 20 HCED C[C@@](O)(CC(=O)O)CC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#N)c3)C2)C1 1780598485 RIZPUEYRZACOQN-SFTDATJTSA-N 415.446 0.618 30 20 HCED C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)COCCNC(=O)OC(C)(C)C)C1 1780700356 MJNWQANUCUNYCS-IIBYNOLFSA-N 423.510 0.675 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)C1 1781555423 ZQZYJGQODSWFFA-SFHVURJKSA-N 405.338 0.265 30 20 HCED CC[C@H](NC(N)=O)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(CC#N)cc3)C2)C1 1781786568 DGBCUTGUBOADLI-LAUBAEHRSA-N 413.478 0.643 30 20 HCED C#CC(=O)N1CC[C@@]2(C1)CN(C(=O)c1nn(C)c(CC)c1Br)CCO2 1783049176 RFZVSRNGJWXXNX-QGZVFWFLSA-N 409.284 0.822 30 20 HCED C#CCCC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CNC(=O)c1ccco1)C2 1783164702 ROHHJYRUERUQOQ-DYESRHJHSA-N 401.463 0.937 30 20 HCED O=C(CNC(=O)C(F)(F)F)N1CC[C@]2(C1)CN(C(=O)C(F)(F)C(F)F)CCO2 1783976265 VZCBEJPSVKYWAS-LBPRGKRZSA-N 423.285 0.395 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CC3CCN(C)CC3)C[C@@H]21 1784475222 XWGXSUIZDZOXRP-LEAZDLGRSA-N 405.539 0.736 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@@]3(CN(C(=O)COCCO)CCO3)C2)c1 1785083170 ZLEZTPPFHJUOQA-IIBYNOLFSA-N 401.463 0.766 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccccc3)C[C@@H]21)c1cccc(=O)n1O 1785630386 LLUKLPBQEAEJJP-BJLQDIEVSA-N 421.453 0.731 30 20 HCED Cc1cc(NC(=O)CC(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C(C)(C)C#N)C[C@@H]32)no1 1787490176 XMMZQXGWWDQEMN-KKUMJFAQSA-N 417.466 0.841 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=C/C(=O)OCC)C[C@@H]21 1788573222 NCXIJAMLUHTUBS-FNDXRGKLSA-N 408.495 0.659 30 20 HCED CC(C)[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)/C=N/O[C@H]3CCCCO3)[C@H]2C1 1788653240 YPBYHRQCVHIKSG-AOEGFKDLSA-N 411.499 0.512 30 20 HCED N#CCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2C1 1790320506 WSOYEKWWZDRRGA-RBOXIYTFSA-N 412.406 0.978 30 20 HCED CNCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)COc3ccccc3C#N)[C@H]2C1 1792145715 IGHGLXPBWMZEPA-BJLQDIEVSA-N 414.506 0.916 30 20 HCED 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C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1 490092422 NGDJSNIAJUGGJK-AWEZNQCLSA-N 401.510 0.257 30 20 HCED CC(C)(O)CN1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 490656971 LMMDBCBAZFVTCO-UHFFFAOYSA-N 411.466 0.052 30 20 HCED C[C@@]1(CO)CCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 493702733 AWLRTZQMAAKKEC-QUCCMNQESA-N 420.535 0.532 30 20 HCED C=CC[C@H](CO)NC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 504368793 AVQRNTYBMKTSBA-CQSZACIVSA-N 415.494 0.859 30 20 HCED CCOC(=O)c1c(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C#N)cn1CCOC 504700350 MHMWXPVXSAMSTC-CYBMUJFWSA-N 412.468 0.834 30 20 HCED N#CC1(F)CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 506587554 USGFANYEUCIICV-UHFFFAOYSA-N 418.425 0.717 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@H](N2CCOCC2)C[C@H]1C 507791457 FIEOMNRANPRHIX-NVXWUHKLSA-N 423.477 0.708 30 20 HCED C[C@H]1CN(Cc2cccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)c2)C[C@@H](C)O1 508340513 LBIDGLRTSFQJMH-GASCZTMLSA-N 411.466 0.514 30 20 HCED CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)nc1 513076782 RSFBOKPEXAMQOW-SFHVURJKSA-N 401.492 0.521 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3nc(N(C)C)oc3c2)CC1 513256750 TVCDSRAREHZPDG-UHFFFAOYSA-N 414.466 0.279 30 20 HCED COCCN(C(=O)CN1CCN(c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 513817025 ZIALWCDLKKWXBK-GOSISDBHSA-N 420.535 0.342 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1=O 516198418 RCSAJALHQKSJKS-LJQANCHMSA-N 414.506 0.380 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)ccn1 516607618 WMVBOHLGGDNFDT-UHFFFAOYSA-N 402.374 0.964 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(C(N)=O)cc1 523256173 WVUGNZCQOWOISX-UHFFFAOYSA-N 421.482 0.460 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(ncn3CCc3ccccc3)C2)C1=O 538830699 MALHDSLVNSEXNR-UHFFFAOYSA-N 421.457 0.987 30 20 HCED CC[C@@H](NC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC)C(=O)N1CCOCC1 542346316 IRTRJDVIKZHPFV-OAHLLOKOSA-N 418.450 0.276 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543053947 DHNAANOBEZJWKU-CQSZACIVSA-N 410.434 0.546 30 20 HCED C=CCNC(=O)c1cccc(-c2noc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c1 545656111 HXWOXHJYRAZSMF-UHFFFAOYSA-N 421.417 0.448 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@@H](CN2CCOCC2)C(=O)O)cc1C(F)(F)F 548531999 AURMFQZWTSXQOF-ZDUSSCGKSA-N 407.370 0.641 30 20 HCED N#Cc1cc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)cnc1C(F)(F)F 556218524 WVDKPJFNWYXWOA-UHFFFAOYSA-N 408.340 1.280 30 20 HCED N#Cc1ccc(C(=O)CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cc1 556391743 FPZICOXWKXMRTO-UHFFFAOYSA-N 407.473 0.639 30 20 HCED COC(=O)CN1CCC[C@H](CNC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 556988530 HBESPTSYVYFXAG-MRXNPFEDSA-N 422.507 0.180 30 20 HCED CC(C)[C@H](CNC(=O)C(=O)N1CCC(C#N)(c2ccccn2)CC1)N1CCOCC1 559553480 WXWFRLDDDHPZMS-SFHVURJKSA-N 413.522 0.938 30 20 HCED COC(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 561704380 MQXNYSMXIVVKOZ-RDJZCZTQSA-N 412.446 0.581 30 20 HCED C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 563291408 GABQGFWPKWWHFK-OAHLLOKOSA-N 409.508 0.655 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 573462150 NVVVNHOJCXSLOQ-LSDHHAIUSA-N 407.434 0.656 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)C2=O)cc1 575355168 QYDSBWAUHGKKOU-OTWHNJEPSA-N 410.474 0.660 30 20 HCED N#Cc1ccc(S(=O)(=O)NC[C@@H](NS(=O)(=O)c2ccc(C#N)o2)C2CC2)o1 577524706 RNNMUVSRDCGKRB-CYBMUJFWSA-N 410.433 0.651 30 20 HCED CCC1(CC)[C@H](NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@H]1OC 581481033 MGPKDOFVFLFCBI-IAGOWNOFSA-N 416.526 0.959 30 20 HCED C[C@H](CO[C@H]1CCOC1)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587648615 ZKYNOVUBCHDXHK-PBHICJAKSA-N 401.467 0.348 30 20 HCED C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588127886 SIBWCSZBUUPCOE-HDICACEKSA-N 404.559 0.108 30 20 HCED CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608924686 CQEIBOYUCBEVFT-INIZCTEOSA-N 402.480 0.870 30 20 HCED C[C@@H](C#N)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 609524531 PJPDBJWZBCGYKL-HNNXBMFYSA-N 422.507 0.434 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(=O)N(C)C 684535576 SAFZQRLOFHLKAN-UHFFFAOYSA-N 415.519 0.240 30 20 HCED C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 728573216 UUEWEIQCXVTTEP-AWEZNQCLSA-N 403.439 0.297 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)ccc1F 742178069 BENIPGZZWUQNJY-AWEZNQCLSA-N 422.525 0.850 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)cc1C#N 752411195 MEPAQLXBHFNXFP-WBMJQRKESA-N 403.439 0.900 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)CC1 753372186 DHJCIIAFCBLFGZ-UHFFFAOYSA-N 405.520 0.846 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccc(CC)o2)c1=O 758049870 LNFKFEFLUCLSRI-UHFFFAOYSA-N 413.524 0.777 30 20 HCED CS(=O)(=O)c1cccc(C(=O)N2CCN(Cn3cccc(C#N)c3=O)CC2)c1 758225584 YJSAAZCFNRPJIX-UHFFFAOYSA-N 400.460 0.539 30 20 HCED CNC(=O)CN1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758354776 QYYMSZGODOBNGI-UKRRQHHQSA-N 408.503 0.255 30 20 HCED C=CCn1c(C)nn(CN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1=S 765447111 UUZASQRGJNIPPV-UHFFFAOYSA-N 411.557 0.914 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 766989613 YGMHBJBUHRBNMR-UHFFFAOYSA-N 420.447 0.626 30 20 HCED C#CCNC(=O)C1CCN(C(=O)NCCN(C)S(=O)(=O)c2cccs2)CC1 772017492 WGQIYZLZORMNLY-UHFFFAOYSA-N 412.537 0.540 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 773093584 JRDLPRSZXKWBCX-AWEZNQCLSA-N 417.409 0.881 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCCO1 773799157 UZHHLPOXTGVOJU-IAGOWNOFSA-N 405.476 0.157 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)n1 774499119 UUFAUWQUOCUIPQ-UHFFFAOYSA-N 403.527 0.917 30 20 HCED CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 774993599 DDZPHXXJIMPTIR-UHFFFAOYSA-N 414.466 0.339 30 20 HCED C#CCN1CCN(C(=O)CN[C@@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 775066605 PGZMDLQGUGOSNT-IBGZPJMESA-N 400.523 0.972 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 778707864 XJTISEAATAXEKX-IRXDYDNUSA-N 406.527 0.916 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(C)n(-c2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 783480441 JWBZSPGAFGRDAH-MRXNPFEDSA-N 418.450 0.907 30 20 HCED C=CCS(=O)(=O)CCN[C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 783535665 FIOSOKZUYWWWGD-OAHLLOKOSA-N 402.538 0.959 30 20 HCED Cn1ccnc1[C@H](O)C1CCN(C(=O)C(=O)NCCNc2ncccc2C#N)CC1 787777109 HNOCJOZYXWNDNG-MRXNPFEDSA-N 411.466 0.187 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(=O)o[nH]1 790076629 IQCVZLQLGKNVBG-LBPRGKRZSA-N 407.452 0.175 30 20 HCED CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 796714715 QYQRZKJJBGGIMD-JSGCOSHPSA-N 413.496 0.598 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=C3CC(=O)N4CCCC[C@@H]34)nc2)CC1 799471889 IRXQHXVTGLEPPK-INIZCTEOSA-N 406.512 0.570 30 20 HCED C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 807339529 WIUYKRXFEUOFFP-GOSISDBHSA-N 420.469 0.933 30 20 HCED CON(CC1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 808175234 SYENIXKNXWEDHD-SFHVURJKSA-N 414.462 0.986 30 20 HCED NC(=O)COc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 913026788 MSRKWRNLDVCJLS-UHFFFAOYSA-N 402.432 0.618 30 20 HCED C=CCNC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 915248993 BJTFNBPDMPGSHZ-LBPRGKRZSA-N 414.436 0.455 30 20 HCED CCOCCCNC(=O)[C@H](C#N)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 916868407 MKNMRKDNVSJPIA-GDBMZVCRSA-N 403.414 0.497 30 20 HCED CN1CC[C@H](C(=O)[C@@H](C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1=O 916996796 AKHWZXDCZNORMR-WDEREUQCSA-N 402.363 0.882 30 20 HCED CCN1CCN(CC(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1162081536 WDZJVNLDSGGLAA-INIZCTEOSA-N 421.567 0.757 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)CC1 1220947884 QUPWHPFDJSWZLP-UHFFFAOYSA-N 408.480 0.594 30 20 HCED Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1290685950 SLMGMBDPGRRJKS-WDEREUQCSA-N 412.545 0.887 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(OC)CCOC2)CCOC1 1296663621 JJTFZUMWZZHRSI-ATZDWAIDSA-N 407.471 0.464 30 20 HCED C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301041995 PADGFYOLNRECPY-STQMWFEESA-N 422.960 0.946 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)CCOC1 1314143870 ZEMFZIBBHYXTEY-ABSDTBQOSA-N 404.515 0.999 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)OCC(=O)N3CCN(C(=O)C4CC4)CC3)CC2=O)cc1 1318040252 HZJIPSAAVWSYCU-QGZVFWFLSA-N 424.457 0.535 30 20 HCED COC(=O)CN(C)CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1323348914 KGJMETCJWUUAIP-OAHLLOKOSA-N 424.523 0.361 30 20 HCED Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CNc2ccc(C#N)cn2)CC1 1540492513 KNNAWIZSACCTIA-UHFFFAOYSA-N 418.479 0.893 30 20 HCED CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1618271628 UKFSELNYUDIUMX-KBPBESRZSA-N 419.486 0.825 30 20 HCED N#Cc1cn(CCC(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c(=O)nc1O 1636534048 XAEQXYPIUZRERL-JQWIXIFHSA-N 413.356 0.080 30 20 HCED Cn1c(O)nc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)C2)cc1=O 1652827163 JGVBMQPGXGGJNI-WBVHZDCISA-N 408.462 0.721 30 20 HCED Cc1cc(C(=O)N2CCO[C@@]3(CCN(C(=O)/C=N/O[C@H]4CCCCO4)C3)C2)nn1C 1779101267 MBVHEQNRHGYDPK-DOXZCSRISA-N 419.482 0.701 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CC[C@]2(C1)CN(C(=O)c1cc(O)n[nH]1)CCO2 1779104983 PZHOYCCQXLZZPW-FAEOQQOKSA-N 407.427 0.088 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CC[C@@]2(CN(C(=O)CN3C(=O)C=CC3=O)CCO2)C1 1779244987 ZZSQQOGHQDTHSK-OAQYLSRUSA-N 403.479 0.734 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H]1CNC(=O)C1)C2 1779339369 IZJISBJQDFSEDX-DXEZIKHYSA-N 407.511 0.210 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780026502 ACVUZWDRZHYXAK-VBKZILBWSA-N 403.435 0.845 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](C)Cn1ccnc1)CCO2 1781271483 BYBQGNDQRGBVRQ-DYESRHJHSA-N 418.494 0.859 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4ncccc4n3)CCO2)C1 1781394209 AMSRDXMLMQKSQS-YWZLYKJASA-N 414.466 0.974 30 20 HCED CCOC(=O)O[C@@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)C#CC(=O)O)C1 1782015471 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Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 52892131 DHMFXBHFCOVQJJ-UHFFFAOYSA-N 403.508 0.957 30 20 HCED CN([C@@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)N1CCO[C@@H](C#N)C1 409488345 VRHJTFCTWLVATO-QWHCGFSZSA-N 417.285 0.376 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1 433787934 ZTKIFYCVRSQYMA-MRXNPFEDSA-N 422.507 0.470 30 20 HCED C=CCN(CC(=O)c1c(O)nc(=O)n(CC)c1N)[C@@H](C)c1cccc(-n2cnnn2)c1 436396906 XXQFKQVZJOFNIO-ZDUSSCGKSA-N 424.465 0.959 30 20 HCED C[S@@](=O)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC1 437134335 VLPFHMALXJRAKK-NDEPHWFRSA-N 403.439 1.239 30 20 HCED NS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 440383690 PTKWFACXPZYZKQ-SFHVURJKSA-N 412.471 0.699 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(CC(C)(C)O)C[C@@H]3C)CC2)o1 444677461 WDHUKZSWUVLWKP-HNNXBMFYSA-N 404.515 0.280 30 20 HCED CCOC(=O)c1c(NC(=O)N2CCN(CC(=O)NC)CC2)c(C#N)cn1CCOC 460127634 NFLQEWYQZYYTRH-UHFFFAOYSA-N 420.470 0.078 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(N)=O)c2)cc1 464155426 ZFMOYLUPGLTUNP-UHFFFAOYSA-N 403.460 0.945 30 20 HCED C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 471050507 OLLMESYCSMCSGI-RHSMWYFYSA-N 414.462 0.816 30 20 HCED CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472288042 QQNRFRJKCFQOIL-OAHLLOKOSA-N 408.528 0.311 30 20 HCED CN(C(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O)C1(C#N)CCCCC1 477628087 NDZAMBXQNMGTHV-UHFFFAOYSA-N 419.482 0.184 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1CC(C)C 478730767 CMAAZXZRHNHAOA-UHFFFAOYSA-N 417.535 0.609 30 20 HCED COc1c(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(C)nn1C 480127066 ODAZBXLIICMVAU-QGZVFWFLSA-N 424.461 0.537 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c(C#N)cn1CCOC 481443009 XQAFWMRSQQATQU-OLZOCXBDSA-N 407.427 0.337 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(OCCO)cc1 483114943 CCJMOYZMPPGIOG-CQSZACIVSA-N 403.460 0.913 30 20 HCED CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(S(N)(=O)=O)cn1C 485784435 KANGQOWQYRSVTJ-UHFFFAOYSA-N 403.508 0.677 30 20 HCED COC(=O)c1ncsc1S(=O)(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 488436092 WXEJLCUIBZXKIK-UHFFFAOYSA-N 404.433 0.913 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCOC2)n(-c2ccccc2)c1=O 489028169 UTCMGJRAMQEKKR-AWEZNQCLSA-N 406.467 0.741 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2N(C)C(C)=O)CC1 491261170 XQJRFLLTIXWIBV-UHFFFAOYSA-N 401.467 0.054 30 20 HCED CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 491528462 DRYHFPKNJWOASC-INIZCTEOSA-N 403.870 0.915 30 20 HCED N#Cc1ccc(OC[C@H](O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 502385541 KVALEWZNVAAVRH-MJGOQNOKSA-N 409.508 0.424 30 20 HCED C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 503506448 NIIYIYMXIKZCMK-ZDUSSCGKSA-N 414.509 0.007 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 505576482 JHJOZWHVDBZNHQ-UHFFFAOYSA-N 419.507 0.657 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1)C(N)=O 509004634 MFLDBNFGQQNFEQ-UHFFFAOYSA-N 419.869 0.769 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCOC1 512726530 XYHMEZAKXCCFJC-AWEZNQCLSA-N 415.519 0.192 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(-n4cnnn4)c3)CC2)nc1 518203997 SEKKWWOEECIIHL-UHFFFAOYSA-N 403.406 0.216 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CCC(C)C)C1=O 519131254 GUWPCDWUBDYPLO-ZIAGYGMSSA-N 424.523 0.806 30 20 HCED COCCOc1ccc(C#N)cc1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 519781404 YQJZTQMWAOAYFR-UHFFFAOYSA-N 400.439 0.919 30 20 HCED C=CCNC(=O)[C@@H](C)S(=O)(=O)CCCS(=O)(=O)c1ccc(NC(C)=O)cc1 524450366 ULFLMVWSBIFBPV-CYBMUJFWSA-N 416.521 0.914 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1ccc(C(=O)OC)cc1Br 525702269 IMBZOGVNANAROB-UHFFFAOYSA-N 405.226 0.923 30 20 HCED CCn1cnc2c(c1=O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 526019507 XXFVXKPHEJRRQK-CYBMUJFWSA-N 415.475 0.387 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc(C(N)=O)n2)CC1 534159168 MMGOWUZPSKMDGP-UHFFFAOYSA-N 414.447 0.591 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)C1=O 536443822 KFURNQGUNOHTQZ-ZDUSSCGKSA-N 402.382 0.414 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H]2C(=O)N2CCSCC2)n1 538103432 WSNXGXJIBGGVRF-AWEZNQCLSA-N 404.496 0.841 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)c2ccc(Br)cc2)C1=O 539986763 YWNFYGQYUIPLMI-GFCCVEGCSA-N 410.224 0.576 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)c2ccc(Br)cc2)C1=O 539986764 YWNFYGQYUIPLMI-LBPRGKRZSA-N 410.224 0.576 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)n1 540269608 SRFMNAYKVZFVKM-CQSZACIVSA-N 402.455 0.372 30 20 HCED COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 540276721 FIDQYEAUOZVRPU-UHFFFAOYSA-N 412.450 0.889 30 20 HCED Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 542934049 GXDSAMSOINDNSY-UHFFFAOYSA-N 404.473 0.978 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccnc(N3CCOCC3)n2)CC1 544678612 AKOTYOHEBYORSS-UHFFFAOYSA-N 414.491 0.696 30 20 HCED COc1ccc(OC)c(CNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 550375952 IPXRRWAEVBFTDP-UHFFFAOYSA-N 409.446 0.935 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(-n3cccn3)cc2)CC1 554646791 TVESMWREXXEZCX-KRWDZBQOSA-N 424.505 0.496 30 20 HCED C=CCNC(=O)CN1CCN(c2nnc([C@@H]3OCC[C@@H]3C)n2C[C@@H]2CCCO2)CC1 555397999 AYYNGPSKXXKBBB-JENIJYKNSA-N 418.542 0.979 30 20 HCED O=C(N[C@H]1CCN(CC(F)(F)F)C1)C(=O)N1CCN(CC(F)(F)C(F)F)CC1 557069851 MCGJIDPTKOWSJT-JTQLQIEISA-N 422.345 0.784 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N(CC)CC)CC2)CC1 557731269 DHMLPTKCBDUOIV-UHFFFAOYSA-N 407.559 0.156 30 20 HCED N#CCNC(=O)CNC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 557923801 ZZFQUYDVHKNBLB-UHFFFAOYSA-N 411.459 0.308 30 20 HCED CCOCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cnn2C)c1=O 560425978 UXWIGYDMBUNSLA-UHFFFAOYSA-N 415.519 0.114 30 20 HCED CC(C)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)N1CCN(C)CC1 564380871 PLVQFDKOGBLBHM-GOSISDBHSA-N 407.540 0.225 30 20 HCED COC(=O)CN(CCN1CCOCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 570154438 AEJFSPUWSUGQBV-LJQANCHMSA-N 400.479 0.861 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 570761319 YBIGGMGSTGNRRX-MRXNPFEDSA-N 409.508 0.750 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)N(C)C)CC2)cc1 588292185 FLTMXZSQFVJYHJ-AWEZNQCLSA-N 407.496 0.610 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1C1CC1 590998248 OXYKVFWOUOHJKB-UHFFFAOYSA-N 405.426 0.789 30 20 HCED CN1C(=O)c2ccc(S(=O)(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2C1=O 603439757 DNULVTHWCXSCSE-UHFFFAOYSA-N 411.443 0.690 30 20 HCED C[C@@H](C#N)CN(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 609147799 IXOZWXZZIYJUAA-GXTWGEPZSA-N 414.509 0.775 30 20 HCED Cc1ccc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1S(=O)(=O)NCC#N 609413333 BJLMXDJUVYHKFE-UHFFFAOYSA-N 404.452 0.334 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)C2=O)cn1 609815771 ASGFJGZHCIZTQS-OAHLLOKOSA-N 424.465 0.794 30 20 HCED COC(=O)c1cc(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)cc(S(C)(=O)=O)c1 612268436 OYCRKILDSDQOPN-SFHVURJKSA-N 407.448 0.967 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(CCO)C(C)(C)C1 614956921 ILBGMQCDEPEAGJ-UHFFFAOYSA-N 411.466 0.301 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1 615254220 QIGKRHIAJXFAKA-UHFFFAOYSA-N 401.467 0.401 30 20 HCED COCCN(CCC#N)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 615256157 XPKIJUXPCRNYLN-UHFFFAOYSA-N 403.439 0.483 30 20 HCED C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 678689266 IGQOQIHVRXPJTM-MSOLQXFVSA-N 415.494 0.990 30 20 HCED C=CCNC(=O)NC(=O)COC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2c(c1)CCC2 726003391 NCIPVIGELFERNP-DLBZAZTESA-N 415.446 0.306 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCCC(=O)OC)c2=O)cn1 732562768 JFSUKBNMMOXBAE-UHFFFAOYSA-N 416.503 0.808 30 20 HCED C#CCN1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 733163030 CHWKCJUZVQYWET-UHFFFAOYSA-N 400.504 0.625 30 20 HCED CN1CC[C@@H](CNC(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 737242262 RKTQEXLINUBXPK-AEWZPABSSA-N 421.523 0.506 30 20 HCED C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)CC1 740738134 VTHJSGFULOUJSB-UHFFFAOYSA-N 410.565 0.970 30 20 HCED C[C@@H](CC(=O)NCC(=O)NCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 742552504 SINNYNFXIXHJRK-VIFPVBQESA-N 406.386 0.298 30 20 HCED C[C@H](CC(=O)NCCN1CCOCC1(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742631636 OWYMOHDUCSJPQV-CQSZACIVSA-N 408.524 0.731 30 20 HCED COCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2scnc2C)c1=O 743728662 NXBBLRKSOKFSQD-UHFFFAOYSA-N 406.533 0.596 30 20 HCED CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CC#N)CC1 744559324 QWDBMFUQTRURLY-MRXNPFEDSA-N 403.508 0.808 30 20 HCED C#CCNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 746019341 JDUUQSSCLNHJOK-UHFFFAOYSA-N 405.245 0.972 30 20 HCED C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C(=O)Nc2cnn(CC#N)c2)CCO1 746434261 HWKMFAZBOGUFMR-GXTWGEPZSA-N 406.443 0.486 30 20 HCED C#CCNC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 747735122 JIAPOLPAYILBAT-UHFFFAOYSA-N 411.911 0.949 30 20 HCED O=C([C@@H]1CSCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC1 748741838 CKRYNHYNLCPXKI-AWEZNQCLSA-N 422.532 0.639 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)CC1 749178870 WWGAGAJCYLXHQD-UHFFFAOYSA-N 405.520 0.971 30 20 HCED C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 755198956 CVMYYAKFLMRCEE-CYBMUJFWSA-N 403.464 0.165 30 20 HCED C#CCNS(=O)(=O)N1CCN(CC(=O)NCc2cccc(OCCC)c2)CC1 761030732 LEDKFMKZMVWYOF-UHFFFAOYSA-N 408.524 0.177 30 20 HCED CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 762941670 TZHBCLZYKBLOLN-KPZWWZAWSA-N 424.479 0.050 30 20 HCED C[C@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)S(N)(=O)=O 768617005 ZPQQGBXBUGCPBD-GFCCVEGCSA-N 416.525 0.079 30 20 HCED C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O 768707671 TZINNMGYJPFYDI-HXPMCKFVSA-N 408.455 0.821 30 20 HCED CCOC(=O)CON=C(C(=O)N1CCCN(c2nccs2)CC1)c1cc[nH]n1 772144474 CUMYCLBBDXFLRX-UHFFFAOYSA-N 406.468 0.889 30 20 HCED COCCn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn(C)c2)c1=O 772278000 JGUWHPDADVVDOH-UHFFFAOYSA-N 412.446 0.815 30 20 HCED C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 773954092 LUSFOJMMSZDFBT-CQSZACIVSA-N 422.507 0.050 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(C(=O)NCCO)CC2)CC1 775949172 SDXGLDUJJFBBRJ-KRWDZBQOSA-N 419.551 0.277 30 20 HCED CCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1=O 779251202 LSCAVUNAHGTNGI-UHFFFAOYSA-N 406.508 0.975 30 20 HCED CN(CC(C)(C)O)C(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 784818297 JFFUBHUIJQDRJG-HKWRFOASSA-N 410.496 0.667 30 20 HCED N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 787787874 PZNLFNIDGUJSII-OAHLLOKOSA-N 410.409 0.542 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3COC4(CCOCC4)O3)CC2)c1C#N 788105178 QWNHKTHIQYVWQX-HNNXBMFYSA-N 404.471 0.354 30 20 HCED CC(C)N1CCN(CCCOC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 791472558 HUFJAJCXJRUAJB-UHFFFAOYSA-N 408.524 0.796 30 20 HCED COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793224579 UNUQIFZTHWNQDZ-QWRGUYRKSA-N 412.468 0.715 30 20 HCED Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 794593401 CHWVQNJLASPLDC-MRXNPFEDSA-N 424.526 0.941 30 20 HCED N#CC[C@H](CC(=O)OCC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 795987234 UPZHBFKWULZCOT-CABCVRRESA-N 407.448 0.630 30 20 HCED C=CCN1CC[C@@H](N2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)C1=O 798364415 RQJLJTLNJITLJL-ACJLOTCBSA-N 407.423 0.537 30 20 HCED C#CCN1CCN(C(=O)CCC[C@@H](CCOC)C(=O)N2CCN(CC#C)CC2)CC1 800494495 WQYCJYOOKGODQE-NRFANRHFSA-N 416.566 0.364 30 20 HCED COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)c3cc(C#N)ccn3)C2=O)cc1 803848205 KSWZDOJOVJNQGH-FQEVSTJZSA-N 423.385 0.617 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)n1 806699667 ZHKUCSHOJXHNLY-GOSISDBHSA-N 418.494 0.683 30 20 HCED C#C[C@H](NC(=O)C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCCO1 808620302 XKXIKQQRVKBDKE-ARFHVFGLSA-N 407.829 0.998 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)CCCOCc2ccccc2)CC1 809818116 ACQYMFNWHDKKCU-UHFFFAOYSA-N 407.536 0.680 30 20 HCED COCCN1C(=O)/C(=C(\Nc2ccc(C#N)cc2)[C@H](F)C(=O)OC)C(=O)NC1=S 814343580 FGJDFEMAVNXBIX-BSHRGCEOSA-N 420.422 0.625 30 20 HCED C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(I)cn1 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30 20 HCED CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCS(C)(=O)=O 1546532505 NZOBMTQCZHWDEA-CQSZACIVSA-N 418.527 0.652 30 20 HCED CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1561845285 WHQCTGHZMNBWPC-UHFFFAOYSA-N 404.489 0.041 30 20 HCED N#Cc1cn(CC(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)c(=O)nc1O 1634947610 VHLJPNJBHGJQGJ-UHFFFAOYSA-N 409.446 0.418 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCS(C)(=O)=O 1751209153 YNYCISFHHDATEL-RYUDHWBXSA-N 406.534 0.061 30 20 HCED Cn1c(=O)n(CC(=O)N2CC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)c2ccccc21 1778165230 WPELLLMKLRRSES-QFIPXVFZSA-N 423.473 0.474 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2nc(N)n[nH]2)C1 1779239502 XSWXNDXSTJSKBY-STXHMFSFSA-N 420.514 0.425 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)Cn1ccnn1)C2 1779335655 PHOHYURDIJMPCQ-RZQQEMMASA-N 405.499 0.365 30 20 HCED CN1CCC[C@H](C(=O)N2CC[C@]3(CN(C(=O)C/N=C/c4ccco4)CCO3)C2)C1 1780999206 JEAAOXLVUIXUNS-DNPICXIKSA-N 402.495 0.870 30 20 HCED 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HCED CCOC(CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)C#CC(=O)O)CC2)OCC 1826384950 NFTTUGOQYMBRCI-NSHDSACASA-N 409.464 0.932 30 20 HCED CC(C)(C#N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(Cl)nn3)C2)C1 1830058294 UKZBWUFCNXBHDL-GOSISDBHSA-N 407.858 0.750 30 20 HCED CC[C@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cccc(C#N)c3)C2)C1 1830513648 TVZKPAZAWBAEIM-UGKGYDQZSA-N 415.490 0.718 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](NC(C)=O)C(C)(C)C)CCO2 1831094569 TUCHGWBRZOTDAG-KNQAVFIVSA-N 421.538 0.797 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(C(C)C)n3)C2)C1 1831386158 AHAAGRHWQKLBRG-IERDGZPVSA-N 419.478 0.906 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3ccccc3O)C2)C1 1831401387 BCWYNNFKNOFCHX-HTAPYJJXSA-N 416.474 0.429 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)CCc3cnc[nH]3)C2)C1 1831484855 HFZICLIHQPZMNF-HKUYNNGSSA-N 410.540 0.753 30 20 HCED C[C@H](S)C(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2cc(=O)n3[nH]nnc3n2)CC1 1831844158 ZXQUVTIAQXDVKX-SMDDNHRTSA-N 419.511 0.364 30 20 HCED 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C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccc4cncn4c3)CCO2)C1 1837125108 WKPDHPAVSORPKC-IFXJQAMLSA-N 404.492 0.723 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)C3(F)CC3)C2)C1 1837530401 MBINPQMSHILHMC-RCVICEBOSA-N 413.446 0.474 30 20 HCED C=CCSCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1ccc(CO)o1)CCO2 1837966504 NSRMOWSAZMSNHM-LJQANCHMSA-N 410.492 0.761 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cncnc3C)CCO2)C1 1838088264 BWSXTAWBMJKVKI-UZLBHIALSA-N 404.467 0.446 30 20 HCED Cc1nccc(C(=O)N2CCC(OC3CCN(C(=O)C#CC(=O)O)CC3)CC2)n1 1838157108 HFNZBCAYWYFYPE-UHFFFAOYSA-N 400.435 0.485 30 20 HCED COCc1c[nH]c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CC4)C3)C2)c1 1838516860 TULAMUDYLGAHJN-HXUWFJFHSA-N 402.451 0.535 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc(C#N)cc3)CCO2)C1 1838952790 INUZMDXFDUTDNF-JTSKRJEESA-N 414.506 0.968 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnc(C)cn3)C2)C1 1839223993 KYZGZGSGIJKWLQ-OXJNMPFZSA-N 419.482 0.656 30 20 HCED CCN(C)[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)C#Cc3ccccc3)C2)C1 1839639038 GXUOLGPBINANCT-CVDCTZTESA-N 413.518 0.835 30 20 HCED C=C(C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(CC)COC1)CCO2)C(F)(F)F 1839778893 TYACCRRLVXMIBG-KRWDZBQOSA-N 406.401 0.988 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@@H](C)NC(=O)c3ccc(F)cc3)C2)C1 1839809795 LXAQASYIAQOMMC-VFNWGFHPSA-N 417.437 0.034 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)C3CCN(c4ccccn4)CC3)C2)C1 1839809876 PPSNWKBOOWOTHD-QFIPXVFZSA-N 412.490 0.388 30 20 HCED COc1ccc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)[C@@H](C)S)CCO3)cc1O 1840157084 FDFNYNMVCPROKL-VLIAUNLRSA-N 424.519 0.718 30 20 HCED CCN1CCC(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)CC1 1840815665 AUXVEYRQVCVDGU-JOCHJYFZSA-N 418.538 0.869 30 20 HCED C[Si](C)(C)C#CCCCC(=O)N1CC2(CCCN2C(=O)CN(CCO)CCO)C1 1846033944 JRSIGDXRPFABGU-UHFFFAOYSA-N 423.630 0.528 30 20 HCED COc1ccc(CC(=O)N2CC3(CCCN3C(=O)CCn3ccnn3)C2)c(C#N)c1 1846623507 QXVXLAMCWLDUBS-UHFFFAOYSA-N 408.462 0.995 30 20 HCED CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CC#N)[C@H](O)C1 1847232547 HRVKMBFNMHXUKH-FXUDXRNXSA-N 406.483 0.720 30 20 HCED CC(C)[C@H](S)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cccc([N+](=O)[O-])c1=O 1847828912 NCKFBHZXSFPUES-XEZPLFJOSA-N 408.480 0.913 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCCCNC(N)=O)CC2)cc1 16776180 ZQXKTBVIWWGAJM-UHFFFAOYSA-N 407.496 0.620 30 20 HCED C=CCc1ccc(OCC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(OC)c1 52994406 CVOBDSAFBNZHLY-HNNXBMFYSA-N 410.492 0.564 30 20 HCED CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N[C@H]1CCS(=O)(=O)C1 110981606 BAURDTTUXIJMRO-LBPRGKRZSA-N 424.548 0.672 30 20 HCED CC(C)(C)OC(=O)N1CCN(/C(N)=N/CC2CCN(S(C)(=O)=O)CC2)CC1 303980601 OGIXDKVUVAWEBB-UHFFFAOYSA-N 403.549 0.525 30 20 HCED CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)n1 409498300 DRUDXWDRXXUTAO-KBPBESRZSA-N 400.505 0.621 30 20 HCED C=CCN(CCc1ccco1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 441857197 GOSFLXKJXORHLI-UHFFFAOYSA-N 415.450 0.531 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 441897089 KCSXBTZULMSRDZ-UHFFFAOYSA-N 408.524 0.984 30 20 HCED N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1O 442863028 BQQHOWZXHMGRFM-UHFFFAOYSA-N 404.404 0.102 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 461318004 ZJAHPOWDZGFCNO-RFOKVQRGSA-N 420.429 0.937 30 20 HCED COC(=O)C1(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CCCCC1 464858269 MPCZYJMEXABZTK-HNNXBMFYSA-N 400.483 0.851 30 20 HCED COC(=O)c1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)oc1C 465502976 YOSUKCCTCXICLZ-NSHDSACASA-N 405.436 0.936 30 20 HCED COC(=O)C1(NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)CCCCC1 472160979 LICFBQUJFPCABN-UHFFFAOYSA-N 402.499 0.714 30 20 HCED C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1 480996995 GWMLNCBUIVIGQT-ZDUSSCGKSA-N 407.496 0.786 30 20 HCED CCn1cc(CN(CCO)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cn1 482893494 QPVBKULKCXNWTN-UHFFFAOYSA-N 401.471 0.214 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)CCO1 490427876 SFXUNOBMGRCXAN-CHWSQXEVSA-N 415.269 0.223 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC)c2)CC1 491214297 VXKBMSZEXNYKJS-UHFFFAOYSA-N 404.467 0.479 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CCCC4)C3)CC2)n1 501645364 ZSTZEWLWSRJOAY-IBGZPJMESA-N 410.522 0.983 30 20 HCED N#Cc1ccc(OC[C@@H](O)CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 502385539 KVALEWZNVAAVRH-HKUYNNGSSA-N 409.508 0.424 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCN1CCN(C)C(C)(C)C1 508299809 MGIOAYTWRDWQQR-OAHLLOKOSA-N 407.540 0.367 30 20 HCED Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)c1 510632305 ZEWUYTFMZWBNND-INIZCTEOSA-N 411.466 0.780 30 20 HCED N#Cc1ccc(OC2CCC(NC(=O)NC[C@H]3CS(=O)(=O)CCO3)CC2)nc1 511440542 BWWBEXDOVPSACR-GPANFISMSA-N 408.480 0.756 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 511755810 SRMWOWHMTMWABL-CQSZACIVSA-N 420.491 0.826 30 20 HCED N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 515362509 PTMDQRDKKQIORE-ROUUACIJSA-N 409.508 0.421 30 20 HCED COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C#N)C3)CC2)cc1OC 517986161 YDVMAMYJDHLRSQ-OAHLLOKOSA-N 423.491 0.855 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)C1=O 520320788 MOMVSPSKWLKCSB-GFCCVEGCSA-N 404.810 0.538 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H](O)[C@@H]2CCOC2)ccc1OCC(F)(F)F 523064202 QJNKOZWZIBSWEW-ZWNOBZJWSA-N 401.341 0.951 30 20 HCED CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CCc1ccccn1 523862396 XCHWWVPTMGKDIF-UHFFFAOYSA-N 422.514 0.309 30 20 HCED Cc1ccc(C#N)cc1S(=O)(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 524452348 NBUOFIFZAHQRFC-OAHLLOKOSA-N 401.510 0.634 30 20 HCED C=CCN(CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 533387887 BPMRJTDOZBDKQD-IAGOWNOFSA-N 418.581 0.620 30 20 HCED C=CC[C@H](CO)CNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1 538166233 NTWHUHBZVDNOHG-LBPRGKRZSA-N 400.439 0.788 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1Oc1ccnc(C(=O)NC)c1 538546100 DQHJHAAGTNUSPN-UHFFFAOYSA-N 411.418 0.590 30 20 HCED C=CCn1c(O)nnc1S(=O)(=O)CC(=O)NCc1cc(Cl)ccc1OC 551235097 ODLQYFNRFANZJP-UHFFFAOYSA-N 400.844 0.922 30 20 HCED N#CCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 553589148 HZZBQKRWTUUJKR-UHFFFAOYSA-N 423.451 0.238 30 20 HCED C[C@H](CNS(=O)(=O)c1cncc(C#N)c1)N(C)S(=O)(=O)c1cncc(C#N)c1 572565630 BAAODHVFSOPCRQ-GFCCVEGCSA-N 420.476 0.207 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N3C[C@@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)C2=O)cc1 577414950 JJUHIVRXVSGOPY-LTFXXXRZSA-N 408.458 0.411 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 580744048 YAXZROIMNFMOLZ-UHFFFAOYSA-N 410.459 0.452 30 20 HCED C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)Cn1cccn1 584795643 SJQOVJPUUCGHMJ-YJBOKZPZSA-N 408.462 0.819 30 20 HCED Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(N)=O)c2=O)cc1Cl 584877278 OHKAYEZYABYFCF-UHFFFAOYSA-N 418.906 0.385 30 20 HCED N#Cc1cc([N+](=O)[O-])c(N2CC[C@H](CC(N)=O)C2)cc1N1CC[C@@H](CC(N)=O)C1 588853845 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CN(C)C(=O)Cn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2ccnn2C)c1=O 618433694 RGJIBOSGIZXKRB-UHFFFAOYSA-N 421.482 0.117 30 20 HCED CNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 726400861 KTBLPSKINUJEKN-ZDUSSCGKSA-N 403.464 0.132 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)CC1 728532350 WERXRKOLTLBFDJ-FQEVSTJZSA-N 400.548 0.670 30 20 HCED C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)OCCC)cc2)CC1 728590019 RZXJREKKMCSXFG-UHFFFAOYSA-N 407.492 0.309 30 20 HCED C#CCN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 733161277 OXQZMDDDHSOGBY-KRWDZBQOSA-N 421.519 0.006 30 20 HCED N#CCn1cc(NC(=O)C(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cn1 746415272 TZDPZJYKNUVNMR-UHFFFAOYSA-N 400.826 0.870 30 20 HCED C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1 747279265 UOHLFGIFYLLMSN-UHFFFAOYSA-N 410.471 0.230 30 20 HCED COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747495084 IKRKDAQYGQAFJJ-UHFFFAOYSA-N 424.413 0.725 30 20 HCED CCOC(=O)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 749653563 BGJCWSIRCVUHHF-HNNXBMFYSA-N 409.487 0.732 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(C)OCCCO2)cc1 754036714 JSRPXTFTBDBVOI-UHFFFAOYSA-N 411.480 0.701 30 20 HCED CN1CCN(c2ncc(C=NNS(=O)(=O)c3ccccc3[N+](=O)[O-])cn2)CC1 755764843 UJIRCRDZCWAYCW-UHFFFAOYSA-N 405.440 0.449 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)C1 757584207 WIWLKYSXMYNSFW-NSIDCIDZSA-N 414.462 0.669 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(CS(N)(=O)=O)c2)[C@H](C#N)C1 757588668 DRMCNGXSFDZZMP-HUUCEWRRSA-N 408.480 0.964 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(CCO)CCN3CCOCC3)ccc2c1=O 763237467 VGUHJFBXXJHHQF-UHFFFAOYSA-N 418.519 0.638 30 20 HCED CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 764892222 YOXGHVJZSGNDDW-UKRRQHHQSA-N 408.480 0.962 30 20 HCED CCC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc2c(c1)CCCO2 765582984 DEHAJBXMBPYBDU-UHFFFAOYSA-N 406.464 0.502 30 20 HCED CCOC(=O)[C@@]1(CCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCC1=O 767256094 RSYDQBNZMILELM-LJQANCHMSA-N 422.459 0.961 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)N(CCC#N)CCC#N 767678733 KIAISWQNWQVIRN-AWEZNQCLSA-N 417.447 0.424 30 20 HCED C=Cn1cc(C=c2sc(=C(C#N)C(=O)N3CCSCC3)n(CCC)c2=O)cn1 772275289 DZKHWXKRSICACE-UHFFFAOYSA-N 415.544 0.695 30 20 HCED C=CCS(=O)(=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 772713744 WGPRQIXULNBXKH-ZDUSSCGKSA-N 403.438 0.380 30 20 HCED C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCC#CCO)ccc2Cl)C[C@@H](C)O1 774293145 PWRLQNOZBZWNLY-BETUJISGSA-N 400.884 0.863 30 20 HCED C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCC(=O)NCCC#N 776974521 XMZHQZJQKPGBJL-SCLBCKFNSA-N 419.459 0.441 30 20 HCED C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 779477623 ADZHWMSOQNYPGE-DFOUXBCESA-N 422.507 0.714 30 20 HCED CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)cn2)cc1 781061613 GCDMOZWVORXECP-UHFFFAOYSA-N 401.448 0.896 30 20 HCED COC(=O)NCc1ccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 782898266 YSBIOBCEWBEDHT-UHFFFAOYSA-N 413.438 0.749 30 20 HCED CCOC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(=O)OCC)cc1C#N 785056958 DINASPITNUBQCO-SFHVURJKSA-N 406.395 0.495 30 20 HCED Cc1nc(Cn2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)no1 787518054 BCDUHYVMDVTULP-RYUDHWBXSA-N 402.415 0.507 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccnn3CC(F)F)CC2)o1 789160327 WARJBMINCSKYIX-UHFFFAOYSA-N 408.365 0.822 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccn(Cc3ccccn3)n2)n1 789788635 KAPIWGBISIJCSO-UHFFFAOYSA-N 421.461 0.770 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 790758682 PSIFRZZKSSKGRF-LBPRGKRZSA-N 416.550 0.707 30 20 HCED Cc1c(Br)c(C)n(NC(=O)c2cn(CC(=O)N(C)C)nn2)c(=O)c1C#N 791172689 HRNAZDAFJGQDTI-UHFFFAOYSA-N 422.243 0.163 30 20 HCED CNC(=O)c1nn(CN2CCN(c3cnccc3C#N)CC2)c(=O)c2ccccc12 793676445 ZWLDSAHPALCCHS-UHFFFAOYSA-N 403.446 0.802 30 20 HCED COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)c3ccc(C#N)o3)C2=O)cc1 796148651 MKZAUSUZLVEJIE-LJQANCHMSA-N 412.358 0.815 30 20 HCED N#Cc1cccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 796275268 IHRZNXBTBHFMBY-UHFFFAOYSA-N 418.387 0.927 30 20 HCED COc1cc2c(cc1S(=O)(=O)NCCNc1ncccc1C#N)OCC(=O)N2 797443938 NMIIDLFAHVYJBA-UHFFFAOYSA-N 403.420 0.683 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)CCO1 800101583 XHVNAMYVQYUPEC-WCQYABFASA-N 403.844 0.203 30 20 HCED C#C[C@H](NC(=O)C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)[C@H]1CCCO1 803132317 YIAUVYNUBWSYAV-CEXWTWQISA-N 413.474 0.509 30 20 HCED CCCCn1c(N)c(N(CC)C(=O)COC(=O)c2cnccc2C#N)c(O)nc1=O 805716050 JACLYDSHAMSSPE-UHFFFAOYSA-N 414.422 0.808 30 20 HCED C#C[C@H](NC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21)[C@@H]1CCCO1 806985300 AQFXISXCSZNXNF-MRHSLFKSSA-N 411.458 0.319 30 20 HCED C#C[C@H](NC(=O)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)[C@@H]1CCCO1 809310536 JRBXFNLCQMRQNR-ROUUACIJSA-N 422.503 0.614 30 20 HCED COc1ccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1N1CCNC1=O 813983568 YMXUMVONEYVXGO-UHFFFAOYSA-N 401.404 0.610 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NC2(CCO)CC2)cc1 815773987 ILBWSGNBWSZMII-RCCKNPSSSA-N 408.480 0.469 30 20 HCED CCNC(=O)NCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 817246044 FJFKHJSHIWVPMC-UHFFFAOYSA-N 409.512 0.721 30 20 HCED C=CCn1c(=C(C#N)C(=O)Nc2cccc(OC)c2)sc(=Cc2cnn(C)c2)c1=O 837284674 HKYPRLOONKPXOF-UHFFFAOYSA-N 421.482 0.980 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C)c2)cc1 918454172 TUINLPGVEHQCOH-RCCKNPSSSA-N 404.452 0.810 30 20 HCED N#Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 919986258 FQQKCPVQYBZAIH-FUTAKVPZSA-N 423.516 0.233 30 20 HCED C=CCCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CN(C)C[C@@H](C)O2)nn1 1003059883 OYDNVEHUQSXXCH-IFCWYPFCSA-N 402.499 0.435 30 20 HCED Cc1nc(C(=O)OCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)ccc1C#N 1115840742 QABVDFZCHMLATH-JKSUJKDBSA-N 421.475 0.613 30 20 HCED N#C[C@H](C(=O)NCc1ccccc1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 1122707705 MYZAARINMKPRFU-INIZCTEOSA-N 404.434 0.761 30 20 HCED CN1C(=O)COc2cccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c21 1153194580 IOUWQUYZSAZXCK-UHFFFAOYSA-N 400.416 0.830 30 20 HCED CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1302465650 BBRVMFAHQQYBHV-QGZVFWFLSA-N 416.507 0.382 30 20 HCED CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CCO1 1315009798 ZQFCFQALROLQOF-QGZVFWFLSA-N 421.465 0.450 30 20 HCED COCCn1nc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)ccc1=O 1318122524 DJHOYOCHBYQNTE-CQSZACIVSA-N 402.407 0.910 30 20 HCED N#CCCN(C(=O)CN1C(=O)NC2(CCS(=O)(=O)CC2)C1=O)c1ccccc1 1318264784 YRCDEXGTQCSWEI-UHFFFAOYSA-N 404.448 0.432 30 20 HCED CSc1nc2nc(C)c(CC(=O)NCCN/C(O)=C3\N=CC=CC3=O)c(C)n2n1 1318396001 XNGUJCYDOYDELM-FOCLMDBBSA-N 415.479 0.648 30 20 HCED C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(F)(F)F 1319795421 DCDMHYYALBFYGM-NXEZZACHSA-N 406.386 0.408 30 20 HCED CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1=O 1323625745 QITGTJJNGHJJKZ-DNVCBOLYSA-N 418.475 0.310 30 20 HCED COCCn1nnc2c1CCN(CC(=O)[C@@H](C#N)c1nc(O)c3ccccc3n1)C2 1330333910 JHPHGIISXDTRSQ-CQSZACIVSA-N 407.434 0.808 30 20 HCED CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1509217763 UKTLFWLYGSXEKW-HNNXBMFYSA-N 411.514 0.942 30 20 HCED CC(C)(C)n1nnc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1540648143 XSVCYRBTSUVQSM-UHFFFAOYSA-N 417.495 0.375 30 20 HCED N#Cc1cn(CC(=O)NC[C@H](CO)Cc2cccc(Br)c2)c(=O)nc1O 1567537160 IXXYRDRGHIISLV-GFCCVEGCSA-N 421.251 0.550 30 20 HCED CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)cc1 1665807774 JIAHKXMLGLXQHO-UHFFFAOYSA-N 421.504 0.372 30 20 HCED CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695900155 JHLWETJNKQIIJA-UZLBHIALSA-N 418.521 0.699 30 20 HCED C[C@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1741951570 WBBGCFNBXIVAJP-KUHUBIRLSA-N 400.439 0.744 30 20 HCED COC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)OC 1749325173 NVJWBXACLAPZBN-GXTWGEPZSA-N 400.505 0.290 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCC1 1761482793 MYSHEAQALYVNBR-YOEHRIQHSA-N 413.523 0.816 30 20 HCED Cc1nccc(C(=O)N2CCO[C@]3(CCN(C(=O)/C=N/N4CCCCC4)C3)C2)n1 1779017215 FNGSYBFDUOEWIN-BOURKTIISA-N 400.483 0.700 30 20 HCED COc1nn(C)cc1C(=O)N1CCO[C@@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779134884 PJBBAGGXJRNUTG-WHEDMDOKSA-N 415.450 0.584 30 20 HCED C=CC(=O)N[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(C#N)ccc3F)CCO2)C1 1779283511 JNNKCCQVDDSJCV-SPLOXXLWSA-N 414.437 0.832 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc(CC)n(C)n3)C2)C1 1779833208 GJLGYRXHDQIUPI-OAQYLSRUSA-N 418.494 0.935 30 20 HCED C=CCO[C@H](C)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccnc4c3OCO4)C2)C1 1780026501 ACVUZWDRZHYXAK-JLTOFOAXSA-N 403.435 0.845 30 20 HCED Cn1ccc(CC(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)c3cc(C#N)c[nH]3)C2)n1 1780177778 IJERQXUKSOKYKH-WIYYLYMNSA-N 410.478 0.990 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)n3)CCO2)C1 1781400043 HIEKMOXLTZGGRC-XIKOKIGWSA-N 407.427 0.132 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cnc4c(c3)NC(=O)CS4)C2)C1 1782424412 PKEZMPQOIVLNGL-BBATYDOGSA-N 422.532 0.888 30 20 HCED N#CC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@H]4CC(c5ccccc5)=NN4)C3)C2)CC1 1782601115 UYTNNRMSPUEUDI-GCJKJVERSA-N 407.474 0.886 30 20 HCED Cc1ccc(OC(C)(C)C(=O)N2CCO[C@@]3(CCN(C(=O)C#CC(=O)O)C3)C2)nc1 1783564967 FXOFAIDRZVLXJQ-OAQYLSRUSA-N 415.446 0.465 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)CCn3cncn3)C2)C1 1784342946 QJRBRCLVDFTWPC-IBGZPJMESA-N 405.455 0.008 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3c(F)c(C)nn3C)C[C@@H]21 1784478555 AUTJMCUEONINQV-UGUYLWEFSA-N 406.458 0.499 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CNC(=O)OC(C)(C)C)C[C@@H]21 1784483473 ZGLDXVQQSWBNSG-QZWWFDLISA-N 423.510 0.529 30 20 HCED CC(C)[C@H](S)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C(=O)Nc3cccnc3)C[C@@H]21 1784536043 IRNVASJAAZOEOE-HJWJTTGWSA-N 420.535 0.954 30 20 HCED C#CC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)C1 1785725007 IYAQCSOAFSAINO-YWZLYKJASA-N 407.467 0.085 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cnn(C)c3)[C@H]2C1 1786033994 RYSKSBNHVSUUIA-XIRDDKMYSA-N 404.467 0.523 30 20 HCED CN(C)C(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)Cc3ccc(F)c(C#N)c3)C[C@@H]21 1786743423 ITFPDUCZXXZXHA-ZVZYQTTQSA-N 416.453 0.308 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(-c4ccccn4)[nH]n3)[C@H]2C1 1788949708 VEPZNNCTMDGBBR-DEYYWGMASA-N 423.429 0.153 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CCn3ccnn3)C[C@@H]21 1789894798 GNXRCGSVNBADDT-ULQDDVLXSA-N 419.482 0.157 30 20 HCED C=CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CSc3nc[nH]n3)[C@H]2C1 1791554398 JXWHPOXYJXILOB-AJNGGQMLSA-N 409.512 0.468 30 20 HCED C=CCNC(=O)/C=C\C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccn(C(C)C)n1)C2 1792489629 APIYDILKIVHVNS-DUGXABPWSA-N 415.494 0.526 30 20 HCED C#CCO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H](O)c1ccc(OC)cc1 1792716750 HXNDCEJEGJXBQG-YTYFBAJQSA-N 416.474 0.357 30 20 HCED C#CCO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1ccc(O)cc1 1792773997 FCERKGILAFNQKI-MFCZKXCZSA-N 402.447 0.399 30 20 HCED Cc1noc(N)c1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(C)(C)NCCC#N)C2 1795571674 AOZHDQZITDEOCN-AGGWBTHJSA-N 404.471 0.050 30 20 HCED N#Cc1cc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)Cn2cncn2)ccc1F 1795853082 FEGCFHJBODQZQR-CWPLJXCYSA-N 412.425 0.121 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCC2 1797514374 ACCKCEVEGPOHHW-ZXFNITATSA-N 403.483 0.833 30 20 HCED C[C@H](Cn1cncn1)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1797896750 UJLQSMKGHHAUIF-RDPOXOKHSA-N 407.474 0.556 30 20 HCED COc1cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)[C@@H](C)ON=C(C)C)C3)nn1C 1798760653 JGJKKUVJUFRAEG-VWPFQQQWSA-N 407.471 0.433 30 20 HCED COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@@H](C)ON=C(C)C)nn1 1799392915 OOHBZKRVKHVWJS-VWPFQQQWSA-N 405.455 0.489 30 20 HCED CN1C(=O)CC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(CC#N)cc1 1799643810 SXFNVHMMEJTHDP-DMUMMCEESA-N 410.474 0.577 30 20 HCED Cc1cc(C#N)cc(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)COc2cccnn2)C3)c1 1799803242 FLALNLKTLDYWOP-RMFSNUHRSA-N 421.457 0.939 30 20 HCED Cc1ncc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2n[nH]c3ccc(C#N)cc23)[nH]1 1799883042 FGQOYNSUDJYJDU-ZSBFGKGUSA-N 419.445 0.983 30 20 HCED N#Cc1cccc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)CCc2ccc(O)nn2)c1 1800178946 IMTVPUZKOXDEIM-UPHUGPLXSA-N 421.457 0.890 30 20 HCED COc1ccc2nc(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)C#CC(=O)O)ccc2c1 1800778274 LGYBNDRKNPVNNR-USGNIVHTSA-N 423.425 0.535 30 20 HCED COc1cc(F)ccc1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C#CC(=O)O 1800778486 AMTCEJWTRWLSGC-VTEUUUEMSA-N 404.394 0.054 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCCn1ccnc1 1801303011 OHSCFKIDHLGJKS-OSQPQIOTSA-N 415.494 0.111 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)COc1cccnn1 1801347979 KBLPZAWAFHCYDM-KRXQYRFLSA-N 404.467 0.018 30 20 HCED COC(=O)NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc([C@@H](C)C#N)c1 1801763590 GGIYBRDQQGWMEP-KUZCPNRJSA-N 414.462 0.873 30 20 HCED C#CCCCCC(=O)NC[C@@H]1CCN(C(=O)CC[C@H](N)C(N)=O)[C@@H]1c1cccnc1 1813223535 STDMAXBYANQXBR-BBTUJRGHSA-N 413.522 0.874 30 20 HCED CC(C)(C#N)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)[C@@H](O)N2CCOCC2)[nH]n1 1814570039 YOPPXFUZPIUCPT-GOEBONIOSA-N 404.471 0.602 30 20 HCED CN(C)C(=O)C(=O)N1CCCC[C@H]1c1cc(NC(=O)C(C)(C)NCCC#N)n[nH]1 1817315437 JXYLZOHGLHDGKF-AWEZNQCLSA-N 403.487 0.772 30 20 HCED COC[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)C1(C#N)CCC1)CC2 1820196764 IGDOODSVFGMKNG-TZMCWYRMSA-N 419.507 0.900 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@@H]1c1cc(NC(=O)CSc2nc[nH]n2)n[nH]1 1822713458 DHGRNSYRPOGFBY-LLVKDONJSA-N 403.424 0.400 30 20 HCED C=CCO[C@H](C)C(=O)N[C@@H]1CCc2nc(NC(=O)Cn3ccncc3=O)sc2C1 1824529550 RUKQSWOPMITEJY-CHWSQXEVSA-N 417.491 0.903 30 20 HCED Cc1nnc(CCC(=O)N[C@H]2CCc3nc(NC(=O)C#CC(=O)O)sc3C2)s1 1825663433 FWRIWMZHSOQFBD-JTQLQIEISA-N 419.488 0.936 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3ccccc3[C@@H]1O)CCO2 1830822822 UIGRZGGQGKSXOP-CBQOVEMMSA-N 413.474 0.652 30 20 HCED C#CCO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)C[C@@H]3CCCCO3)C2)C1 1831387282 MELURGCFXCOURR-LVCYWYKZSA-N 408.495 0.440 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cscc3OC)C2)C1 1831392172 JTWCISGKJMBKNF-YWZLYKJASA-N 422.503 0.865 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(CC)noc3C)C2)C1 1831396068 HORRCEXCZHUDGF-HRAATJIYSA-N 419.478 0.654 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3scnc3CC)C2)C1 1831396608 GUGDZWZQKSMHGQ-MGPUTAFESA-N 421.519 0.814 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccccc3OC)C2)C1 1831397688 VYKFTYYEJGUZNB-JTSKRJEESA-N 416.474 0.804 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)/C=C/c3cnc[nH]3)C2)C1 1831438837 XHHNPFRXJJHSOR-RELCYYESSA-N 404.467 0.470 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@](C)(O)C(F)(F)F)CCO2 1832166881 SSQCETRYACQZHT-SJORKVTESA-N 406.401 0.560 30 20 HCED C=CCC(=O)N1CCC(N2CCC(NC(=O)c3cc(C(=O)O)ncn3)CC2)CC1 1833968546 SHPNRFAGXOFWMG-UHFFFAOYSA-N 401.467 0.936 30 20 HCED Cc1nc(CC(=O)N2CCC(N3CCC(NC(=O)C4(C#N)CC4)CC3)CC2)no1 1834600068 QATXRLSGVVBWRZ-UHFFFAOYSA-N 400.483 0.796 30 20 HCED COC(=O)CCC(=O)N1CCOC[C@]2(CN(C(=O)C#Cc3ccccc3)CCO2)C1 1835096754 JHKSXPGYCDRSIT-JOCHJYFZSA-N 414.458 0.448 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nc2nccn12 1835346606 JMSBQFGTJDEZAA-OAQYLSRUSA-N 424.461 0.412 30 20 HCED N#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3nnc4ccccc43)C2)C1 1835355231 YSMNRDUUPKKXMC-FQEVSTJZSA-N 412.450 0.191 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3cnn(C)c3)CCO2)C1 1835985817 DVTYJKQFDBOJHI-UTKZUKDTSA-N 420.510 0.400 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3cnc[nH]3)CCO2)C1 1836488397 SRRAFZLGWVHIGX-HNAYVOBHSA-N 407.471 0.210 30 20 HCED N#CC1(C(=O)N2CCC(OC3CCN(C(=O)CCc4nc(N)n[nH]4)CC3)CC2)CC1 1837790364 SEWZREDSTNBYIJ-UHFFFAOYSA-N 415.498 0.622 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)c4cc(C#N)c[nH]4)C3)C2)ccn1 1837938153 HTDPQXNZMLDPHL-OAQYLSRUSA-N 409.446 0.974 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(C#N)c[nH]3)CCO2)C1 1838739134 MCAFZAZDGQDDAF-FOIQADDNSA-N 417.466 0.757 30 20 HCED Cc1cc(CC(=O)N2CCOC[C@]3(C2)CN(C(=O)c2ccc(C#N)cc2)CCO3)n[nH]1 1838951261 HFDLWEDTYNOTDK-QFIPXVFZSA-N 423.473 0.903 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(=O)cco3)C2)C1 1839224663 WSMWXIAHIBXHDU-YWZLYKJASA-N 421.450 0.511 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(-n3cccn3)cc1)CCO2 1839335615 BJAKNWHNUSKGGH-NRFANRHFSA-N 409.446 0.856 30 20 HCED COc1cc(C)c(C(=O)N2CCO[C@@]3(COCCN(C(=O)CC#N)C3)C2)cc1OC 1839398673 SVKBZLMCBJPTKT-OAQYLSRUSA-N 417.462 0.996 30 20 HCED C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cc3-n3nccn3)C2)C1 1839808887 ICWDMMCHAXHSBE-NRFANRHFSA-N 409.446 0.279 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CN3CCCCC3=O)CCO2)C1 1840103425 AOHWEYNJKRVAQI-UTKZUKDTSA-N 423.510 0.046 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)[C@@H]3CCNC(=O)C3)CCO2)C1 1840230749 UDCDWADVTNAXTR-VGOFRKELSA-N 421.538 0.961 30 20 HCED CC(C)[C@@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)CCn3cncn3)CCO2)C1 1840356759 BXCCQBOKTKOJCY-AEFFLSMTSA-N 411.528 0.079 30 20 HCED O=C(C#Cc1ccccc1)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCCOC1)CCO2 1840873917 RFFZFVAKLREEEF-REWPJTCUSA-N 412.486 0.921 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC2(CCCN2C(=O)CN(C)C(=O)c2ccccc2)C1 1841521481 AESOMQDKFOBELA-KHPPLWFESA-N 424.501 0.820 30 20 HCED CC(C)(NCCC#N)C(=O)N1CCCC12CN(C(=O)c1ccc3c(n1)OCCO3)C2 1842919545 IHRLBVQJZPDXHI-UHFFFAOYSA-N 413.478 0.952 30 20 HCED N[C@@H](Cc1cccnc1)C(=O)N1CCCC12CN(C(=O)/C=N/O[C@H]1CCCCO1)C2 1843386883 YJOZJQKPMNOZDQ-YMKFNUEJSA-N 415.494 0.684 30 20 HCED C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2n[nH]c3ccc(C#N)cc23)C1)n1cnnn1 1845582978 LQGVSTQBEXWWQO-LBPRGKRZSA-N 405.422 0.499 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@@H](CCN)NC(=O)OC(C)(C)C)C2 1846367889 WCKPCOYJOHJFPM-CHWSQXEVSA-N 400.545 0.750 30 20 HCED C[C@@H](S)C(=O)N1CCCC12CN(C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C2 1846372048 CFAXWVKBMMUBRK-NEPJUHHUSA-N 414.528 0.277 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NCc2cccc(OCC)c2)c1=O 53576880 CRFPAQVBBZDKHP-UHFFFAOYSA-N 400.435 0.259 30 20 HCED N#Cc1cccc(-n2ccc(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)n2)c1 409474690 FSDGGIRJHKBOTE-UHFFFAOYSA-N 420.429 0.177 30 20 HCED C=C(C)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 427042890 AYCSPCHXGUVWDL-UHFFFAOYSA-N 422.489 0.999 30 20 HCED Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCNS(=O)(=O)NC(C)C)C2)n1 428447429 MGNJJQNDLQUQGR-INIZCTEOSA-N 408.528 0.427 30 20 HCED Cc1c(C#N)c(NC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)n(-c2ccccc2)c1C 428759620 PPDSSELTUVBXNR-KRWDZBQOSA-N 420.473 0.547 30 20 HCED CCOc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc1S(=O)(=O)N1CCOCC1 438876391 UEODDLWFHLHJIN-ZDUSSCGKSA-N 424.479 0.463 30 20 HCED C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 441929923 CJPZFEIQMZIULC-AWEZNQCLSA-N 420.491 0.797 30 20 HCED N#Cc1ccc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1O 443131812 PFTYUNLKDSYRSR-UHFFFAOYSA-N 415.427 0.838 30 20 HCED CCCc1c(NC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cnn1-c1cccc(C#N)c1 443739947 SBZUOZLZVHYOHE-UHFFFAOYSA-N 420.433 0.955 30 20 HCED CCN(C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1)CC(F)(F)F 444525071 RDHILOVBYCQYKS-CYBMUJFWSA-N 400.405 1.468 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3CCN(C4CC4)CC3)n2)cc1 447416136 FHVFFYIIRGVCOF-UHFFFAOYSA-N 407.478 1.127 30 20 HCED Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1 460608111 JWNFLYDOTYNDRN-INIZCTEOSA-N 407.478 1.519 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 469484099 OLTWEHMURYJQHA-UHFFFAOYSA-N 420.535 0.942 30 20 HCED CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471677796 QOYVBPZBLAHTLI-UHFFFAOYSA-N 402.480 0.471 30 20 HCED N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 471791072 UUKHMUVGXDCGEQ-QGZVFWFLSA-N 407.430 0.060 30 20 HCED CN1CCN(CCC(C)(C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 474824165 TYTCTBLEVXHNAI-UHFFFAOYSA-N 421.567 0.711 30 20 HCED Cn1c(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)c(C#N)c(=O)n(C)c1=O 475719947 BJNYFQIANGXHHS-UHFFFAOYSA-N 407.427 0.247 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)c2ccco2)CC1 479838937 UWWGUUKXTWYFII-CQSZACIVSA-N 416.459 0.803 30 20 HCED Cn1nccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(Cc2ccon2)c1=O 480938641 RJDMYGCEBINONL-UHFFFAOYSA-N 424.486 0.241 30 20 HCED CS(=O)(=O)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CCC1 484931047 BNHRJGSMUKKPMY-UHFFFAOYSA-N 419.438 0.905 30 20 HCED CNC(=O)[C@H]1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 485125833 FOBXTNQUBVOALK-GOSISDBHSA-N 412.471 0.883 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccc(OCCO)cc3)n2)cc1 491361395 PGGPQNDIQNFQSS-UHFFFAOYSA-N 420.429 0.824 30 20 HCED C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1=O 494164346 QCVRMRXVJHWCLX-UHOFOFEASA-N 407.434 0.262 30 20 HCED COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1=O 500354510 DGKWAWJQJMINLQ-CQSZACIVSA-N 418.475 0.911 30 20 HCED Cc1cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nn1CCC#N 505013111 IBCNZYXICJYIIO-CQSZACIVSA-N 407.438 0.443 30 20 HCED CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 506275534 MXYMBPMRBFJRBD-UHFFFAOYSA-N 416.525 0.280 30 20 HCED N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCC2(OCCO)CCOCC2)c1 506729429 UPBVFVSKVWEBRT-UHFFFAOYSA-N 413.377 0.772 30 20 HCED C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508920124 SWAYWAVJUIMOPL-INIZCTEOSA-N 410.478 0.807 30 20 HCED COc1ccc(CCC(=O)N2CCCN(C(=O)NCC(=O)NCC#N)CC2)cc1 511910418 NQKMFEHDELHAOT-UHFFFAOYSA-N 401.467 0.511 30 20 HCED CC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 513075533 LSXUZCFHHCNSRK-KRWDZBQOSA-N 404.492 0.650 30 20 HCED CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CCCO1 514006136 APTRYSKBCFIICI-GOSISDBHSA-N 420.535 0.892 30 20 HCED C=CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 516549004 HSRAOULSBGFSFC-HNNXBMFYSA-N 411.505 0.694 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1CCc1ccccn1 523859421 NVWVCFUQYFESCJ-UHFFFAOYSA-N 408.458 0.936 30 20 HCED COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(C#N)CCN(C)CC1 535686532 PVUICVHSGSXTSL-UHFFFAOYSA-N 422.507 0.434 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1CC(N)=O 537566789 IUXJAFZPAKSMRW-UHFFFAOYSA-N 416.478 0.262 30 20 HCED CCn1cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c([N+](=O)[O-])n1 549915911 MZSNSIOAKKMULO-LLVKDONJSA-N 406.428 0.372 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)nc1 551137258 WMFNZYIHZULYEF-QGZVFWFLSA-N 420.477 0.177 30 20 HCED Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(c3cnccc3C#N)CC2)cn1C 553355434 FIAFROXPWFTWPU-UHFFFAOYSA-N 417.495 0.012 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCO[C@@H](C(CC)CC)C2)CC1 554683967 OWWKHZFLIQLAPB-ZWKOTPCHSA-N 408.543 0.533 30 20 HCED C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 555254949 YNKRFFHKXOKAGK-UHFFFAOYSA-N 418.465 0.728 30 20 HCED CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CCO1 555938744 VCEDZUOJDUUYTB-CYBMUJFWSA-N 409.240 0.623 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)C2)nc1 561099725 GDMXTAZCSNXTTL-ZACQAIPSSA-N 400.435 0.339 30 20 HCED Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 561135851 JTDDHXRMMCMRPV-RDJZCZTQSA-N 421.461 0.201 30 20 HCED Cc1noc([C@H]2C[C@@H](O)CN2C(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)n1 561604863 XXDMBQZXGQTGDO-UKRRQHHQSA-N 405.436 0.205 30 20 HCED CC(C)CN1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 561704824 USDAOTYAHSPWMT-IBGZPJMESA-N 411.506 0.970 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cn(C)nc1C(F)(F)F 564284877 ZSTUOZRGEDBSLO-SNVBAGLBSA-N 422.371 0.776 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCC2CC(OC(C)(C)C)C2)CC1 565920412 XOQMMACYBRRGIV-UHFFFAOYSA-N 408.543 0.533 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)C1=O 568689733 RLDJZTXFXWYAKQ-BZSNNMDCSA-N 406.527 0.116 30 20 HCED CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3c(C)cnn3C)c2=O)cc1 569598815 WJWVFSCVAYTXIX-UHFFFAOYSA-N 423.498 0.589 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 570691836 PKOGXUDZQJUFBM-VYDXJSESSA-N 403.483 0.125 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3cnn(CC(F)(F)F)c3)CC2)c1 573359330 VLVOFZMUTCULGZ-UHFFFAOYSA-N 421.383 0.677 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 573361435 HWQNLAGDBJUDBJ-VQTJNVASSA-N 412.534 0.960 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n1 576198322 JXGSPKBOYODWRN-CYBMUJFWSA-N 408.422 0.140 30 20 HCED C=CCCOCCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 579276918 IJROFQTVUUASQI-UHFFFAOYSA-N 407.492 0.299 30 20 HCED N#Cc1ccc(=O)n(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 589119941 MNTAADNQSCRVIJ-UHFFFAOYSA-N 402.432 0.380 30 20 HCED CN(CC(=O)NCc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(C#N)cc1 603440662 ADFXYJHLRBLZTJ-UHFFFAOYSA-N 422.488 0.143 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(S(C)(=O)=O)cc2)c(=O)n1C 604118836 SHRFGNHGMXMHFN-UHFFFAOYSA-N 419.528 0.270 30 20 HCED Cn1cc(N2CC[C@@H](NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2=O)cn1 609817869 QIUZXEWJBREFGH-LJQANCHMSA-N 407.478 0.924 30 20 HCED CCc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 610102478 KGPIYSJOXRPUNM-UHFFFAOYSA-N 417.447 0.580 30 20 HCED CS(=O)(=O)N1CCN(CCNC2CCN(Cc3ccc(C#N)cc3)CC2)CC1 611438489 WHWZBZHORYWQGF-UHFFFAOYSA-N 405.568 0.689 30 20 HCED COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCC(CC#N)CC2)cc1 611675308 GGZFCKQQBWEURE-YJBOKZPZSA-N 407.492 0.971 30 20 HCED CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CC[C@@](F)(C#N)C1 615825523 LKQUOVYYHXNEIV-GOEBONIOSA-N 417.484 0.232 30 20 HCED N#CCn1c(C(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc2ccccc21 615931221 BSRXBSLHFCZMEK-QZTJIDSGSA-N 402.476 0.081 30 20 HCED CCN(CC)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 728403445 OMOYQSAMARFUBF-UHFFFAOYSA-N 411.459 0.367 30 20 HCED C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cn1 728804410 GRFSPGUZNVQOFQ-MRXNPFEDSA-N 419.484 0.781 30 20 HCED CC(C)[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1C(=O)c2ccccc2C1=O 731888713 KAPFGBNMBOAOMA-FXBHHXAOSA-N 410.430 0.950 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1C 732415482 WFKHHIBMXRBWGB-FOCLMDBBSA-N 407.452 0.551 30 20 HCED CC(C)N(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 735588477 JDMOQAYWWBPFDI-OQKWZONESA-N 423.539 0.894 30 20 HCED C[C@@H](CC(=O)N(C)Cc1nnc2n1CCC2)/N=C1/NS(=O)(=O)c2ccccc21 742517152 CGOLPFBNTSYEPX-LBPRGKRZSA-N 402.480 0.700 30 20 HCED N#Cc1cccnc1NCCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 745774674 JZFHZYILQOSNGY-UHFFFAOYSA-N 419.467 0.210 30 20 HCED O=C(NO)c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 746264029 VHHKTEBKAMPDQK-UHFFFAOYSA-N 419.459 0.757 30 20 HCED Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 747021410 RTEKGGFIZQXUKG-CQSZACIVSA-N 417.447 0.402 30 20 HCED C#CCNC(=O)C1CCN(CC(=O)NCc2ccccc2CN2CCCC2=O)CC1 747816429 DMRFUICGCUPAPL-UHFFFAOYSA-N 410.518 0.887 30 20 HCED C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N(CCOC)C2)c1 749505596 WWADHKPKCYWURY-GOSISDBHSA-N 413.474 0.355 30 20 HCED C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)N(CCC#N)CCC#N)C1=O 750970158 VTQGBWMAMDALRA-IBGZPJMESA-N 421.421 0.085 30 20 HCED CC1(C)C[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 751801704 LHYDJAJVGZYCMB-OAHLLOKOSA-N 405.476 0.980 30 20 HCED CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCn2cc([N+](=O)[O-])cn2)cn1 768487586 YWAPXSOUXCARLV-ZDUSSCGKSA-N 420.455 0.776 30 20 HCED Cc1cc(Br)ccc1C=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771898338 XADFHRPXJOZALJ-UHFFFAOYSA-N 415.269 0.467 30 20 HCED CS(=O)(=O)N(c1ccc(OCCNC[C@H](C#N)CCC#N)cc1)S(C)(=O)=O 773204646 HRCRNTWNNRWACH-AWEZNQCLSA-N 414.509 0.824 30 20 HCED COc1ncc(/C=C\C(=O)NCC#CCNC(=O)/C=C/c2cnc(OC)nc2)cn1 775893261 LPPYCEQSPXMCNP-CGXWXWIYSA-N 408.418 0.246 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CC2CN(S(C)(=O)=O)C2)C1=O 777451946 RCMNHNWGDRFSLS-HNNXBMFYSA-N 424.548 0.954 30 20 HCED C[C@@H]1CN(C)C(=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 782877308 IPBXBGUIYJVUTC-CQSZACIVSA-N 404.492 0.648 30 20 HCED C#CCN(C(=O)C(=O)Nc1cccc(NC(=O)C(C)C)c1)[C@H]1CCS(=O)(=O)C1 783481583 QBKFWFMQPHHMJD-INIZCTEOSA-N 405.476 0.869 30 20 HCED CNC(=O)CNC(=S)NN=C1C(=O)Nc2ccc(Br)c(Cl)c21 788020073 IZIYBPONXDZXFI-UHFFFAOYSA-N 404.677 0.969 30 20 HCED CCS(=O)(=O)CCCCCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 788999838 NCQJXPJPQVAXIL-UHFFFAOYSA-N 402.494 0.873 30 20 HCED CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)CC(C)(C)C#N)CC1 790006488 BAUAEYXNFXVXAU-UHFFFAOYSA-N 406.574 0.993 30 20 HCED CSCCONC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 797376754 XHBSWUUEJLEJSW-RGEXLXHISA-N 414.509 0.849 30 20 HCED CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)N(C)[C@H](C)CC#N)CC1 800899635 QUJKHJDTDUOHBZ-CQSZACIVSA-N 417.532 0.572 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@H]3CCc4ccccc4OC3)CC2)c1C#N 807700570 KZYIIDMOOWOOHQ-KRWDZBQOSA-N 422.489 0.759 30 20 HCED C#CC[C@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 809799783 CQOMIFPAWMMVTP-VQTJNVASSA-N 404.467 0.980 30 20 HCED CO[C@H](C)[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 810470947 WYLMMMIAYLOXNQ-ZXKZCITISA-N 410.496 0.978 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc(N(C)C)n3C)nc2)CC1 811633969 XYXNJROHXISAAG-UHFFFAOYSA-N 406.516 0.263 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1 818155334 GMILHMANBYWETP-MRXNPFEDSA-N 403.464 0.159 30 20 HCED CNS(=O)(=O)c1cccc(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)c1 849086725 MILFXWJJOITGAX-HNNXBMFYSA-N 423.539 0.975 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N(CCO)C2CC2)cc1 918422254 LZSVRWOQAUCPCC-SILNSSARSA-N 408.480 0.421 30 20 HCED C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C)CN2CCN(CC)CC2)cc1 918699739 WCMJPQMHKSLPQR-KRWDZBQOSA-N 406.552 0.602 30 20 HCED C=C[C@@H]1OCCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnc(O)n(C)c1=O 1004898224 QDWXFFLWUTURTP-HPCJDURASA-N 402.451 0.329 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1nnn(C(C)(C)C)n1 1006384837 UQMWIHJHIZPPSP-SUJAAXHWSA-N 402.499 0.810 30 20 HCED COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1309650845 PIJDHWFAJSEOEP-WDEREUQCSA-N 403.254 0.865 30 20 HCED COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1320275051 WFKVVWIYBLUBMY-RBSFLKMASA-N 410.471 0.701 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1324632066 SZYDCCPCQFYVGG-IAGOWNOFSA-N 412.446 0.581 30 20 HCED CC(C)(C)[S@@](=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1359590784 KHOBGYIHQBUKKN-SUMNFNSASA-N 408.528 0.676 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)NCC2CC2)CCCC1 1435334148 AJIQKJJEECASFA-UHFFFAOYSA-N 404.492 0.680 30 20 HCED N#Cc1cn(CCC(=O)NC[C@H](O)c2ccccc2Br)c(=O)nc1O 1468981707 VQMVYGZBAJPIKI-ZDUSSCGKSA-N 407.224 0.823 30 20 HCED C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512522051 ZYFJALYAKYPYBO-NCOADZHNSA-N 417.514 0.457 30 20 HCED CCN(C)C(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515304133 YAGPKNDOFSEIRJ-GOSISDBHSA-N 408.510 0.919 30 20 HCED 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COc1cc(N[C@H]2CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)cc(OC)c1 1635737724 XQOJCKVXNPSCFM-AWEZNQCLSA-N 413.434 0.941 30 20 HCED COc1ccc(CN(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](CO)C(C)C)cc1 1637700204 PRFAJDZVGSZFEE-QGZVFWFLSA-N 400.435 0.875 30 20 HCED CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1692526814 ZTYFEMQGUYFQDW-GOSISDBHSA-N 405.478 0.723 30 20 HCED CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1694227429 NKCWNBAOHFVCSK-HUUCEWRRSA-N 403.487 0.434 30 20 HCED CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1696058659 SIGVIKWHZYHDBI-OALUTQOASA-N 406.462 0.898 30 20 HCED Cc1ccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1707315545 KDHPZNWDONCSDI-IRXDYDNUSA-N 423.477 0.696 30 20 HCED N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCS2(=O)=O)C1 1712877054 ZSKRHBWRVLWIIO-OGHNNQOOSA-N 410.475 0.638 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)C1 1731183555 TURAXGDREUQOPE-FQEVSTJZSA-N 413.457 0.988 30 20 HCED 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C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H]1CCc3cccc(OC)c3C1)CCO2 1839795100 YBYPYHYKJZGMTE-MBSDFSHPSA-N 412.486 0.890 30 20 HCED O=C(O)C#CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3scnc3C3CC3)C2)C1 1840040901 DSFXSXMITYRNHD-IBGZPJMESA-N 419.459 0.179 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc(O)cn4)CCO3)C2)CC1 1840496191 DPHVSGNVLQDYQZ-HXUWFJFHSA-N 400.435 0.090 30 20 HCED Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C#CC(=O)O)C3)C2)c(Cl)c1 1840695067 AJEJQRMARHDYIU-FQEVSTJZSA-N 420.849 0.806 30 20 HCED CC(=O)c1cc(C(=O)N2CCCC23CN(C(=O)/C=N/O[C@H]2CCCCO2)C3)n[nH]1 1842336451 SBIFWLQAUZSGBZ-MZYRPWKCSA-N 403.439 0.958 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)NC(=O)c1cnccn1 1847810244 JTSXZTJSXHJOES-FSDCSDTHSA-N 401.467 0.388 30 20 HCED C[C@H](C#N)c1cccc(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CN2CC(=O)NC2=O)c1 1848069913 DXUXCEMJZGERPP-COXVUDFISA-N 409.446 0.681 30 20 HCED COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 24860024 NOTOVJNCYVWMEB-UHFFFAOYSA-N 414.443 0.887 30 20 HCED C=CCc1ccc(OC[C@@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(OC)c1 32772215 CZHZKMMKNZXLDW-MOPGFXCFSA-N 424.563 0.968 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)C1=O 53271013 GEFLDXMVCQFITL-UHFFFAOYSA-N 402.382 0.087 30 20 HCED CN(C)S(=O)(=O)CCCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 110796706 SIYGMIDQMMUJAF-UHFFFAOYSA-N 400.526 0.146 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 409523031 RLRNNSRUEOKHKV-AWEZNQCLSA-N 416.525 0.338 30 20 HCED COc1ccc(C#N)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 410379726 GZVRKNZEXMWHED-UHFFFAOYSA-N 412.493 0.000 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NC[C@H](CO)Cc2cccc(Br)c2)CCO1 410401684 NPXQUVSNSWNSQV-UKRRQHHQSA-N 418.313 0.659 30 20 HCED CCN(C(=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H](C)CS(=O)(=O)CC 460577086 DPBYVFKQNWKPGO-ZDUSSCGKSA-N 418.479 0.749 30 20 HCED COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 467048916 UDHZYXYXGXMXGP-HFTRVMKXSA-N 405.476 0.979 30 20 HCED CN(C)CCCN(CCC#N)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 467587785 FMIOMTIWMRSNRD-UHFFFAOYSA-N 403.468 0.405 30 20 HCED CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn1 471744558 DFXDJVWQVWGSTE-UHFFFAOYSA-N 400.464 0.561 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](C(C)C)N3CCN(C)CC3)CC2)c1C#N 472118970 ZFAPFWQDRBSWEZ-IBGZPJMESA-N 416.574 0.704 30 20 HCED CN(CC(=O)N(CCCO)Cc1ccccn1)S(=O)(=O)c1ccc(C#N)cc1 478526313 CMOPAFNJJPUTFK-UHFFFAOYSA-N 402.476 0.985 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 499096607 AHGRNMFUNVHDLZ-UHFFFAOYSA-N 420.378 0.248 30 20 HCED CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)co1 504193470 HZEWKOCLTITXIZ-HNNXBMFYSA-N 402.432 0.985 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CS(=O)(=O)CCO2)cc1 509717780 DCIDIIDTPDNAKM-AWEZNQCLSA-N 417.509 0.428 30 20 HCED C[C@H]1CN(C[C@@H](O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 513457527 XVXFPPCSTVDEKP-SCTDSRPQSA-N 422.551 0.335 30 20 HCED CCn1cc(C#N)c(=O)n(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)c1=O 514434618 ZRGVLBXATAAQKB-UHFFFAOYSA-N 414.422 0.870 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCCOC)c2)c(=O)n1CC 515690277 LFQIPGIJYDGIHV-UHFFFAOYSA-N 413.499 0.760 30 20 HCED N#CCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 517580157 CLRSSMAZOBXMGB-UHFFFAOYSA-N 416.481 0.925 30 20 HCED C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)cc2)C1 519291367 WYZZIASUNKTMAU-HOCLYGCPSA-N 420.491 0.797 30 20 HCED COC(=O)CN(CC#N)C(=O)CNS(=O)(=O)c1ccc(Br)s1 523135460 LESOOYGPPMEAJM-UHFFFAOYSA-N 410.271 0.314 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1cnn(CC)c1 523181512 QMNRADXYECFUHO-UHFFFAOYSA-N 408.487 0.540 30 20 HCED COC[C@@](C)(C#N)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 532134384 ZSYLWEIIZAPHHO-LJQANCHMSA-N 422.507 0.345 30 20 HCED COc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3(C#N)CC3)CC2)cc1 532496830 RXEVRWUUMJJQBC-UHFFFAOYSA-N 420.491 0.481 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 533279936 XQJGUGSYJFBEGQ-FXAWDEMLSA-N 411.506 0.528 30 20 HCED COC(=O)CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)[C@@H](C)C1 540476117 IYQSUWSBJPYOJQ-LSDHHAIUSA-N 422.507 0.321 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(=O)N(C)[C@@H]3c3ccccc3)CC2)o1 549065174 LDECWHYPZAFGLU-FQEVSTJZSA-N 408.462 0.976 30 20 HCED C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 556029954 JKVDZZIFAZNYDQ-JTQLQIEISA-N 409.240 0.311 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)n1 560053025 TWCATXOWRFQOIR-UHFFFAOYSA-N 406.450 1.064 30 20 HCED C=CCNC(=O)CNC(=O)NCC(=O)Nc1ccc(I)cc1 560090382 XGPKMKJFPPPMFN-UHFFFAOYSA-N 416.219 0.831 30 20 HCED C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 572517791 JJJHIPZXSZIHRQ-YLJYHZDGSA-N 414.506 0.903 30 20 HCED N#CCCn1ccc(=NC(=O)C(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]1 574490528 BLSXNZBQAHSDBJ-UHFFFAOYSA-N 408.809 0.929 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)cc2)ccn1 574849466 QRBQBCODYBDACD-DLBZAZTESA-N 409.402 0.833 30 20 HCED C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2cnccc2C#N)CC1 574980597 MCXDNEDCCQJVAD-CQSZACIVSA-N 414.491 0.750 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2nc(-c3cccc(F)c3)no2)C1=O 575157657 AUKPYPRAEMFLSU-AWEZNQCLSA-N 401.398 0.737 30 20 HCED C[C@@H]1CN(CCCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CCCO1 576500167 PGJYFNATGZFXDV-OAHLLOKOSA-N 411.466 0.695 30 20 HCED CCC(CC)(NC(=O)C1CN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1)C(N)=O 578702876 SYMAZNBPISIBRO-UHFFFAOYSA-N 403.414 0.255 30 20 HCED COc1ccccc1CCNC(=O)CNC(=O)C(=O)Nc1cc(C)nn1CCC#N 580030222 NUPULQZRHSBRCF-UHFFFAOYSA-N 412.450 0.527 30 20 HCED COC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1 589492268 YZFOSGYETVCWSP-INIZCTEOSA-N 402.432 0.652 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 589515560 KLWSRBJACJBREQ-QGZVFWFLSA-N 406.508 0.407 30 20 HCED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2csc(C)n2)c1=O 590908884 RYUIGJBYNORQQN-UHFFFAOYSA-N 406.533 0.741 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCCOC)cc2)c(=O)n1CC(C)C 609333570 LGBAKZPOROTKOP-UHFFFAOYSA-N 415.515 0.840 30 20 HCED N#CCN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 609576167 ADZYTEGVJKOHKI-KRWDZBQOSA-N 421.479 0.852 30 20 HCED CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCN1CCO 614920827 SAVRDWPDYZFTHD-KRWDZBQOSA-N 405.568 0.845 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C(C)C)N3CCCC3=O)CC2)o1 726038088 TVGIKFIITNCGPU-GOSISDBHSA-N 417.466 0.694 30 20 HCED C#CCOc1ccccc1CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 734172835 SRDKBJQOTMYMKW-KRWDZBQOSA-N 409.508 0.986 30 20 HCED CN1CCN(S(=O)(=O)c2ccc(NCCNc3ncccc3C#N)nc2)CC1 749274991 XXUCDEBYVNJTFW-UHFFFAOYSA-N 401.496 0.808 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCOC1 749870410 QLJCNCBPHYXWFV-AWEZNQCLSA-N 415.519 0.192 30 20 HCED C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 758058585 MQZVKXQBGJTMCD-UHFFFAOYSA-N 407.495 0.986 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cscn2)c1=O 758082274 DDYCDYGBKIHFDF-UHFFFAOYSA-N 402.501 0.045 30 20 HCED CC(C)NC(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758776100 LRGQRPZDCNFOMW-CVEARBPZSA-N 422.530 0.597 30 20 HCED CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 760371667 AJNHNWWLMBJHDJ-OAHLLOKOSA-N 422.507 0.588 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 761025829 XTRLJNQLBTYZAM-CYBMUJFWSA-N 414.915 0.761 30 20 HCED C=CCn1c(S)nc2cc(C(=O)NCCCN3CCNC(=O)C3)ccc2c1=O 763236321 WQZNNNZJCAOGNG-UHFFFAOYSA-N 401.492 0.423 30 20 HCED CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 763424719 WTZCHTXDGGDWFT-UHFFFAOYSA-N 411.422 0.813 30 20 HCED CCCCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 766243996 PUAYXFUXIZFZDF-MRXNPFEDSA-N 400.483 0.921 30 20 HCED CCN(C[C@H](C)C#N)C(=O)COC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 767548527 CIUPIFBHIJHBNB-MRXNPFEDSA-N 416.482 0.457 30 20 HCED N#CCN1CCC(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 770776995 SZOTXPSIEDGXSD-UHFFFAOYSA-N 411.455 0.991 30 20 HCED CC(Cc1nc2ccccc2s1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771897361 LYXRVDOTAACEOY-UHFFFAOYSA-N 407.477 0.591 30 20 HCED CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@@H]1O 774490690 KMVBSTSWVDAFDF-WIAOGZMSSA-N 422.507 0.667 30 20 HCED CNS(=O)(=O)c1cc(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)ccc1C 780207260 USTVAMDHQVHULX-SFHVURJKSA-N 417.443 0.990 30 20 HCED CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)N(CC(=O)NC1(C#N)CCC1)C2=O 783986521 RJCYIGWDIZSHRT-UHFFFAOYSA-N 405.455 0.870 30 20 HCED C#CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 785159156 JPZJFSDPUCZYBZ-UHFFFAOYSA-N 424.523 0.488 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 786897918 KSWNQYJPWARPJR-IRXDYDNUSA-N 406.527 0.916 30 20 HCED C[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(=O)NC1(C#N)CCC1 787643520 JXVJQPQAOSUZSZ-ZDUSSCGKSA-N 409.464 0.407 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)CC2)o1 787825067 NXOSHHCLYDCPGC-KGLIPLIRSA-N 403.439 0.338 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)n1 789793003 DVKUJQMXYCYAAW-UHFFFAOYSA-N 417.491 0.713 30 20 HCED C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC[C@H]1CCCS(=O)(=O)C1 792035547 TZJSEJAIRWKEBT-TZMCWYRMSA-N 400.478 0.593 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 793198566 YJJKYTSWGIATOF-ZDUSSCGKSA-N 405.432 0.770 30 20 HCED COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCN(c3cnccc3C#N)CC2)C1=O 793675155 USGQDJLYMVCAGR-LJQANCHMSA-N 400.439 0.296 30 20 HCED C=CCOC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 796456561 RQBUTSOMSKJUSM-IFXJQAMLSA-N 407.398 0.453 30 20 HCED COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 802445182 JUIQNVQVGPIGBQ-INIZCTEOSA-N 404.496 0.981 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[S@@](=O)Cc2ccccc2)cc1 810373015 NRFNFTXTQFYZIB-AREMUKBSSA-N 405.501 0.902 30 20 HCED CON(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1 813980859 JSLAOBZMZPWTNF-UHFFFAOYSA-N 410.433 0.254 30 20 HCED COCCCNC(=O)[C@H](C#N)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 916874953 INRPXAHIIWKKQZ-MRXNPFEDSA-N 409.464 0.183 30 20 HCED C[C@@H](CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)N(C)C 918271166 TYQQQNLJTGAWGN-JEEMYIIMSA-N 409.512 0.504 30 20 HCED C#CCN1CCC(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 919963837 KQFRLPFIAJFUFW-UHFFFAOYSA-N 419.547 0.810 30 20 HCED CCc1nc(C#N)cc(N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2n2ccnn2)n1 1039642553 MLHNUFDWMXJOFT-PZLSSOPGSA-N 420.477 0.790 30 20 HCED C=CCNC(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1 1110678788 IAPXOYMLANZQEX-KLBVCGFUSA-N 401.511 0.912 30 20 HCED CN1CCN(CCCS(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1186472267 QPAVCELLXLHVGD-UHFFFAOYSA-N 406.556 0.479 30 20 HCED Cn1cc(CNC(=O)N(CCO)CCN2CCOCC2)c(-c2ccc(C#N)cc2)n1 1226074462 CGGIHSSIGJVGKI-UHFFFAOYSA-N 412.494 0.795 30 20 HCED CCNC(=O)C(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1296251377 OUCYSJSDSZAQMY-MGPUTAFESA-N 420.514 0.821 30 20 HCED COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1CC1(C(N)=O)CCOCC1 1301806611 MPDCBXPKMAGEIP-UHFFFAOYSA-N 401.471 0.922 30 20 HCED Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N1CCOCC1 1304853984 TZISXWYRYOBGOC-UHFFFAOYSA-N 413.457 0.783 30 20 HCED N#Cc1cccc(CS(=O)(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1317908923 FEAXHKRQOVGXJL-UHFFFAOYSA-N 418.519 0.824 30 20 HCED CN1CCN(c2ncccc2CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1318407236 LNLOOTFSDJNTIN-ZPHPHTNESA-N 413.482 0.159 30 20 HCED C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC1CC1 1319666126 DGEYESRVDHPKKK-UHFFFAOYSA-N 405.520 0.669 30 20 HCED N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 1338738656 BPGJOATZBMRPKT-UHFFFAOYSA-N 414.462 0.981 30 20 HCED C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359476123 XYXKIRXIRDINKB-KDOFPFPSSA-N 404.496 0.409 30 20 HCED CC(C)(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1541197198 VXKOFAPYNMYIQH-KBPBESRZSA-N 424.527 0.214 30 20 HCED C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCS2(=O)=O)C1 1611767784 SWTYECIJFJGJLS-KSSFIOAISA-N 421.527 0.395 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1618847167 LLCCDKATAPMGDN-INIZCTEOSA-N 420.495 0.444 30 20 HCED N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2C[C@H]2CCCCS2(=O)=O)cc1 1620350634 MVHNXIRFTWKZJV-MRXNPFEDSA-N 414.491 0.720 30 20 HCED Cn1c(=O)[nH]c(N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c(C#N)c1=O 1651495570 JHRSKODMNSWZAH-GFCCVEGCSA-N 407.427 0.032 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)N3CCN(CC(N)=O)C(=O)C3)n2)c(Cl)c1 1669632200 WZJDIOAZDSSIGA-UHFFFAOYSA-N 401.814 0.559 30 20 HCED CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1710988794 LGLNADGYKAOBEA-OAHLLOKOSA-N 411.466 0.519 30 20 HCED COC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)OC 1730462179 ZPPDZCBZASVDEW-ZQIUZPCESA-N 414.532 0.680 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC1CC1 1744097333 RFCYTLYBWOOTOU-OAHLLOKOSA-N 403.487 0.451 30 20 HCED O=C(O)C#CC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cnc3[nH]ncc3c2)C1 1778937875 OYNGIRXIOWWANF-FOIQADDNSA-N 411.418 0.173 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CC[C@]2(CN(C(=O)[C@H]3CC[C@@H](C(=O)OC)C3)CCO2)C1 1778964196 FASKDXDQRIXSHR-GEYWLOKFSA-N 422.522 0.979 30 20 HCED O=C(/C=N/O[C@H]1CCCCO1)N1CC[C@@]2(C1)CN(C(=O)c1ccc(O)nn1)CCO2 1779101163 KLIHYGSMPPXICO-QUOJIARXSA-N 419.438 0.155 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CCO[C@]2(CCN(C(=O)c3cc(CC)nn3C)C2)C1 1779625284 NMSWNHKVFKMHOP-NRFANRHFSA-N 418.494 0.935 30 20 HCED CC(C)=NO[C@@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)[C@H](C)n1cnnn1)C2 1780807150 PTPKLNOFOGTLEO-YIOZNXECSA-N 421.502 0.549 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)N3CCN(C)CC3)C2)C1 1781090772 YHVVBNJLMCJKGT-UWVAXJGDSA-N 412.600 0.407 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@@]2(CCN(C(=O)C(=C)CC(=O)OCC)C2)C1 1781270508 MZECJMOSFZBEGT-IIBYNOLFSA-N 408.495 0.899 30 20 HCED O=C(O)C#CC(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)/C=N/O[C@@H]1CCCCO1)C2 1782010118 DLDRECXWKTXYBY-JXRHFWTJSA-N 421.450 0.117 30 20 HCED N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(CNC(=O)CCn3cncn3)C2)CCC1 1782452545 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C=CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(C(=O)O)ncn3)C[C@@H]21 1784501517 NPNBPRWFUIAEJN-WSMBLCCSSA-N 418.450 0.359 30 20 HCED Cc1nn2cc(CC(=O)NC[C@@H]3OC[C@@H]4CCN(C(=O)[C@@H](C)S)C[C@@H]43)nc2s1 1784852759 JPOKLWVTMLKGBG-WCUVEOEZSA-N 423.564 0.940 30 20 HCED N#CCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc4nc(CO)[nH]c4c3)[C@H]2C1 1787871259 AGJVKRWYONVWGH-MPGHIAIKSA-N 411.462 0.952 30 20 HCED C#CCCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(=O)nc4cccnn34)[C@H]2C1 1789201101 GSZLPQAKQCZTBA-BQFCYCMXSA-N 423.473 0.486 30 20 HCED C=C(CC(=O)OCC)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C[C@@H]21 1789891876 SQYFZKQKOCHKOQ-QZWWFDLISA-N 419.482 0.328 30 20 HCED N#CCc1ccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)C4=NNC(=O)C4)C[C@@H]32)cc1 1790142737 AONWYEFMOIADQW-BQFCYCMXSA-N 409.446 0.222 30 20 HCED CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(C#N)cc1)C(=O)C(=O)O 1792640505 YJCJAVFSGUQROV-BJWYYQGGSA-N 412.446 0.282 30 20 HCED C=CCSCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](C)NS(=O)(=O)CC 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30 20 HCED Cc1nccnc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)/C=N/O[C@H]1CCCCO1 1797815413 OOQPDLGWRHEMER-BAETWEKVSA-N 417.466 0.517 30 20 HCED N#Cc1c[nH]c(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccnc(Cl)n2)c1 1798081131 CBZMGAVYFDRBLX-JJLQDPRZSA-N 400.826 0.847 30 20 HCED C=CCOCCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1ccc(OC)nn1 1798368336 RUTIYUJDTZVQPQ-CCWDJLKJSA-N 404.467 0.671 30 20 HCED CC(C)(C#N)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCC(=O)N2C1 1799144635 OZPGOYCWLBMFQU-KCYAQADSSA-N 402.495 0.527 30 20 HCED N#CC1(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@H]3CCC(=O)N3C2)CCC1 1799151538 PXSCJYVLTSMXLC-LVEJAMMSSA-N 414.506 0.671 30 20 HCED C=C(CC(=O)OCC)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1nc(C)no1)C2 1799305203 UZLYPZAQEKHICN-ZSBFGKGUSA-N 406.439 0.020 30 20 HCED N#CC1(C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2nc(O)n4c2CCCC4)C3)CCC1 1801984822 QKIXTYAHTGILCQ-MIFYACCESA-N 413.478 0.822 30 20 HCED C#CCO[C@H](C)C(=O)NC[C@H]1CCN(C(=O)c2ccnnc2O)[C@H]1c1cccnc1 1803550871 SOVUELHZJNMIFM-KYJSFNMBSA-N 409.446 0.935 30 20 HCED C#CC(=O)N1CC[C@@H](CNC(=O)c2cncc(S(C)(=O)=O)c2)[C@H]1c1cccnc1 1804888422 FZFLWBKVGIHTIU-HNAYVOBHSA-N 412.471 0.833 30 20 HCED O=C(Cn1nccn1)NC[C@H]1CCN(C(=O)/C=N/N2CCCCC2)[C@H]1c1cccnc1 1808947040 OFYWPKVRIIKCDU-RROZELGVSA-N 424.509 0.851 30 20 HCED C[C@H](S)C(=O)N1CC[C@H](CNC(=O)CCc2nc(N)n[nH]2)[C@@H]1c1cccnc1 1810155500 DGOAZAXRWOGMEK-GHJWDPDVSA-N 403.512 0.739 30 20 HCED COc1ccc(C(=O)N2CC[C@H](CNC(=O)C#CC(=O)O)[C@H]2c2cccnc2)nn1 1812880405 JWNCZRIHUFZERJ-AUUYWEPGSA-N 409.402 0.288 30 20 HCED C[C@@H](NC=O)C(=O)N[C@@H]1CCc2nc(NC(=O)C(C)(C)NCCC#N)sc2C1 1814982192 KRZSTBOBDAMZOQ-VXGBXAGGSA-N 406.512 0.471 30 20 HCED O=C(O)C#CC(=O)N[C@H]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4CN3)sc2C1 1817144990 JIEZCVMFINUUJO-GOEBONIOSA-N 424.482 0.858 30 20 HCED COCCn1ccc(C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)n1 1817618650 UFUNYFCPCUTUFF-LLVKDONJSA-N 417.447 0.300 30 20 HCED N#CC1(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CN3CC(=O)NC3=O)CC2)CC1 1826680913 QEVRUHDVRQMZHS-OAHLLOKOSA-N 401.467 0.462 30 20 HCED Cc1cnn([C@H](C)C(=O)Nc2nc3c(s2)C[C@H](NC(=O)C#CC(=O)O)CC3)c1 1826752561 OUYAHSPVKFDZAR-VXGBXAGGSA-N 401.448 0.909 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@@]2(COCCN(C(=O)c3[nH]ccc3C)C2)C1 1829764802 WBCMONXKUNLGGV-NYPGBQQYSA-N 416.478 0.252 30 20 HCED CC[C@@H](O)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ccc(C#N)cc3)C2)C1 1830510790 UUCZIYRNUDKMCW-NQIIRXRSSA-N 401.463 0.328 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccc(C)cc3O)C2)C1 1831402591 LKBUKZJEDAIVKD-JTSKRJEESA-N 416.474 0.809 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)cn3C)C2)C1 1831427225 QNRSWEZLKFUXRW-YWZLYKJASA-N 409.458 0.825 30 20 HCED CN1CCN(CCC(=O)N2CCC([C@@H]3CCCCN3C(=O)C#CC(=O)O)CC2)CC1 1831669069 FMUNKPHPWSPGFS-IBGZPJMESA-N 418.538 0.332 30 20 HCED O=C(O)C#CC(=O)N1CCCC[C@H]1C1CCN(C(=O)CNC(=O)c2ccco2)CC1 1831670130 NTHFCYWZMXQAJV-INIZCTEOSA-N 415.446 0.717 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@@]2(CN(C(=O)c3cnc(OCF)cn3)CCO2)C1 1833566564 JLSIYODSRXTQFA-LJQANCHMSA-N 421.429 0.402 30 20 HCED Cn1nccc1C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(C#N)c3)C2)C1 1834235439 IJGOPAKFSPCNMK-OAQYLSRUSA-N 409.446 0.676 30 20 HCED N#CCC(=O)NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1 1834402285 CXOIGWSJZADFBY-UHFFFAOYSA-N 409.494 0.757 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)c1ccon1)CCO2 1834486765 XBUHCJJHJODKMR-DKLCPLSMSA-N 402.407 0.457 30 20 HCED N#CCCC(=O)NC1CCN(C2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1834602905 WJNHQJVWWZVXHP-UHFFFAOYSA-N 415.494 0.177 30 20 HCED C[C@H](S)C(=O)N1CCC(OC2CCN(C(=O)CCN3C(=O)C=CC3=O)CC2)CC1 1836996040 HKQOGTLAIHIFGS-AWEZNQCLSA-N 423.535 0.618 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3ccncc3Cl)CCO2)C1 1837884051 STAVOFIIQNPBBZ-MGPUTAFESA-N 421.881 0.843 30 20 HCED N#CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(-n3ccnc3)ccn1)CCO2 1838792084 RYPGOXYPXKTSHD-HXUWFJFHSA-N 410.434 0.251 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc(O)n3)C2)C1 1839223608 ASWXNOXWPVPRIY-QRWLVFNGSA-N 420.466 0.658 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cnn4c3CCC4)CCO2)C1 1839530884 OMMHLAYOYSOPHH-IIBYNOLFSA-N 418.494 0.490 30 20 HCED C=C(C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)n(C)n3)C2)C1)C(F)(F)F 1839892131 VLNZVKYCFAOXGM-MRXNPFEDSA-N 418.372 0.314 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccnc(Cl)n3)C2)C1 1840162247 QGVJWXOHAXBTMO-ZBEGNZNMSA-N 400.888 0.518 30 20 HCED C#CCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H](C)n3ccccc3=O)C2)C1 1840168812 UBJUTYWRIAACPM-XMSQKQJNSA-N 415.490 0.669 30 20 HCED Cc1ccc(S(=O)(=O)CC(=O)N2CCCC23CN(C(=O)C#CC(=O)O)C3)cc1 1842758845 FNNSSYHNLWTCBV-UHFFFAOYSA-N 404.444 0.060 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC2(CCCN2C(=O)[C@H](CO)NC(=O)OC(C)(C)C)C1 1843324973 KJZKQOSEFDKQHA-GJZGRUSLSA-N 409.483 0.114 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC23CN(C(=O)C(C)(C)C#N)C3)[C@@H](O)C1 1845103799 JXFPJACDHRECRM-GJZGRUSLSA-N 420.510 0.967 30 20 HCED C=CC[C@H](CC(=O)N1CCCC12CN(C(=O)[C@@H](N)CN)C2)NC(=O)OC(C)(C)C 1846934930 WEXVAFFZGWQQJG-CABCVRRESA-N 409.531 0.335 30 20 HCED CC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 409571519 WVSPUQPRMVLDEA-GOEBONIOSA-N 410.496 0.663 30 20 HCED CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 409836376 BKECFALJBQHHLP-JQWIXIFHSA-N 402.454 0.463 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)nc1 428806289 QAPRKXPPSGZAIP-GOSISDBHSA-N 409.446 0.587 30 20 HCED CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 429941762 KEYHSUXSRVSMSL-UHFFFAOYSA-N 419.410 0.047 30 20 HCED N#CCN(C(=O)Cn1c(=O)oc2cc(S(=O)(=O)CCO)ccc21)c1ccccc1 430136398 SMLLMEOLDOIPOE-UHFFFAOYSA-N 415.427 0.917 30 20 HCED N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)s1 435446000 IPZZEMUJEUBDDS-CQSZACIVSA-N 406.489 0.501 30 20 HCED COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1 440376639 RFDMDCRCLYCZII-UHFFFAOYSA-N 420.450 0.629 30 20 HCED COCCCn1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 444510257 CJRSQCCAVKYDIZ-UHFFFAOYSA-N 414.441 1.218 30 20 HCED CC1(C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC[C@H]1O 446072103 SPWGXZKJRHWTCY-GOSISDBHSA-N 420.535 0.484 30 20 HCED N#Cc1ccsc1NC(=O)CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 446847310 LCUNFNLKRIISLU-UHFFFAOYSA-N 405.436 0.071 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)N2CCN(c3ncccc3F)CC2)cn1 460716826 IIKZYPGRNFZSJB-UHFFFAOYSA-N 420.408 0.960 30 20 HCED N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1 470554231 XAOQZALDRRBLHG-HUUCEWRRSA-N 416.459 0.955 30 20 HCED C[C@H]1CN(C(=O)Cn2cc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)C[C@H](C)O1 474100466 XEIKBHJLXNWGAG-GJZGRUSLSA-N 424.461 0.759 30 20 HCED CC#CCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 477438380 UEAWGNIYYXWPLU-CQSZACIVSA-N 406.913 0.561 30 20 HCED CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 480968388 FQNSLQXNHWAHDK-JSGCOSHPSA-N 414.509 0.918 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3nnc4ccccc4c3=O)C2=O)cc1 486010471 VBACKUZLGCSGMK-SFHVURJKSA-N 402.414 0.580 30 20 HCED CS(=O)(=O)N1CCN(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1 496196603 KQBAPHVWEIYZDV-AWEZNQCLSA-N 415.313 0.707 30 20 HCED Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 498506365 VXVCCCVEMZGCEB-IBGZPJMESA-N 423.521 0.915 30 20 HCED C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 501546799 AJIAEOJBNLTVLK-OAHLLOKOSA-N 422.507 0.525 30 20 HCED C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)N1CCOCC1 505509462 FAFDMRQEVHMHRT-RLFYNMQTSA-N 413.478 0.989 30 20 HCED Cn1c(=O)oc2c(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cccc21 511729607 BSEFQHQGRBOODO-UHFFFAOYSA-N 406.402 0.685 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCNC4=O)cc3)CC2)nc1 516482587 FEILOXIOUHIBFB-UHFFFAOYSA-N 419.445 0.770 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](COC)c2ccc(Cl)cc2)CC1 517778004 POLCMNHOVRJQGW-KRWDZBQOSA-N 422.913 0.590 30 20 HCED C[C@@H](C(=O)N1CCOCC1)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 518841786 YYYSVOYTJYYPAA-MSOLQXFVSA-N 405.543 0.582 30 20 HCED CN(CC(=O)N1CSC[C@H]1C(=O)NCC1CC1)S(=O)(=O)c1ccc(C#N)cc1 522161216 MCQFEQAJEGILMI-INIZCTEOSA-N 422.532 0.606 30 20 HCED C=CCNC(=O)NC(=O)CN1C[C@@H](CC)N(CC(=O)NC(=O)NCC=C)C[C@@H]1CC 533395155 LHVNNUSAJHKQEX-IYBDPMFKSA-N 422.530 0.185 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCN1CCC(N(C)C)CC1 536224239 FQZSQVGLIXWUGA-MRXNPFEDSA-N 400.531 0.594 30 20 HCED C=CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 537424146 AMTZEAFVGLFBLH-UHFFFAOYSA-N 401.510 0.442 30 20 HCED CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)s1 541825293 RQGUYKNRMBQJPM-LLVKDONJSA-N 409.580 0.860 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCc4c(O)cccc43)CC2)c1C#N 561177890 YUIWJQANDUYROG-QGZVFWFLSA-N 408.462 0.758 30 20 HCED C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 577008338 FPWONVLLFXWOCU-OAHLLOKOSA-N 403.531 0.782 30 20 HCED COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)C1 581384826 OYSLMKBLSURUSD-NRFANRHFSA-N 409.446 1.387 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCCc3cn(CCOC)nc32)C1=O 582089461 GNQGVEQNIYBGJN-CVEARBPZSA-N 403.483 0.268 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](O)Cc2ccccc2)c1 583791849 WDMBBZAQYLVAJO-ROUUACIJSA-N 418.471 0.938 30 20 HCED N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](CC(N)=O)C2)CC1 588977193 HNNATAPODAUCQF-AWEZNQCLSA-N 412.450 0.652 30 20 HCED COCC[C@H](NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(C)o1 589183733 DXEDSTBALHHOJO-HNNXBMFYSA-N 402.455 1.050 30 20 HCED Cc1nccc(N2CCN(C(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)n1 600875039 KTQSXDUCCKPDNM-UHFFFAOYSA-N 420.477 0.049 30 20 HCED CS(=O)(=O)c1ccc(OCCNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 609280326 AGEQNRFEKHQMSP-UHFFFAOYSA-N 401.444 0.887 30 20 HCED C=CCc1ccccc1OC[C@H](O)CN1CCN(C(=O)CN2CCOCC2)CC1 652505132 DTIWGVDEDFHFIU-HXUWFJFHSA-N 403.523 0.631 30 20 HCED N#Cc1ccc(NCCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)nc1 726704896 AMHFCOWUEQAIJT-UHFFFAOYSA-N 423.481 0.193 30 20 HCED CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)OCC(=O)N(C)C(C)(C)C#N)c1 728105811 MVQHROZVXMFRSW-UHFFFAOYSA-N 410.452 0.934 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 728881014 NHWHNFQTCRDCGV-UHFFFAOYSA-N 420.535 0.224 30 20 HCED C#CCN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 730096669 ZAVJLPHBXOLZDG-KRWDZBQOSA-N 406.464 0.525 30 20 HCED C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCNS(=O)(=O)CC 731700147 RUUOBCVJQXWBPL-IBGZPJMESA-N 421.475 0.634 30 20 HCED Cn1nnnc1-c1cccc(S(=O)(=O)NC(=O)Cc2ccc(OCC#N)cc2)c1 732498246 YIIDSEOPJWRNBK-UHFFFAOYSA-N 412.431 0.827 30 20 HCED CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@H](C)CS(=O)(=O)CC)cn1 733202721 WJNCNJRSEQZXHK-DGCLKSJQSA-N 415.541 0.794 30 20 HCED C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(NS(=O)(=O)CC)CC1 743892578 JQEKKJWZNSLJMD-UHFFFAOYSA-N 411.455 0.707 30 20 HCED COC(=O)c1cccc(COC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)c1C#N 756162485 KNKNJVHGQMSMNY-UHFFFAOYSA-N 408.370 0.647 30 20 HCED C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 756760673 UNWMCVGMTFDIPZ-RYUDHWBXSA-N 405.436 0.529 30 20 HCED C#CCn1c(=C(C#N)C(=O)N[C@@H](C)COC)sc(=Cc2cccc(OC)c2)c1=O 758057785 HNJONNQQXSVSAH-AWEZNQCLSA-N 411.483 0.206 30 20 HCED C[C@@H](CC(=O)N1CCC(N(C)CCCO)CC1)/N=C1/NS(=O)(=O)c2ccccc21 759739166 KVCBXJTUTFUFQP-HNNXBMFYSA-N 422.551 0.809 30 20 HCED C[C@H](CNC(=O)c1cccnc1)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 766397144 JSDMNDNKKQPSSX-ZIAGYGMSSA-N 416.459 0.982 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cncc(N2CCOCC2)c1 766986421 RTMALCYDYIFNJM-UHFFFAOYSA-N 402.432 0.917 30 20 HCED CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769803602 XBQHFYLDYVKEJW-UGSOOPFHSA-N 406.464 0.823 30 20 HCED CN1/C(=C\C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 771896614 DOKVIUWQMSDYHN-GGIXLDDUSA-N 417.491 0.660 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 777714695 ZRXCNXHZMKLGSB-MRXNPFEDSA-N 414.890 0.670 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 783244074 BKCZSXJWDDPNER-UHFFFAOYSA-N 402.561 0.513 30 20 HCED C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)c1 783465262 VQMQXXQVUWHEPZ-UHFFFAOYSA-N 405.414 0.891 30 20 HCED C#CCN(C(=O)C(=O)Nc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 783478952 HJLISAVOHUSPAB-LLVKDONJSA-N 416.402 0.884 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)[C@@H]1CCS(=O)(=O)C1 783482628 YWSPNJBZOXJBFR-NVXWUHKLSA-N 406.460 0.442 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CS(=O)(=O)c1cccc(Br)c1 783618574 RUSFQMOOOGXXEO-UHFFFAOYSA-N 410.311 0.940 30 20 HCED C#CCOc1cccc(NC(=O)C(=O)N2CCOC[C@H]2c2noc(COC)n2)c1 785332439 KOAGEMKKLWNONL-HNNXBMFYSA-N 400.391 0.767 30 20 HCED C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 789794046 UUIBMEWLJKFVRT-MRXNPFEDSA-N 421.457 0.709 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 799286471 HWLFHXURAPIOMP-AWEZNQCLSA-N 402.476 0.962 30 20 HCED C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 804348996 HOKNUZUIZFSGGP-GOSISDBHSA-N 411.481 0.807 30 20 HCED C=CCS(=O)(=O)CCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 805275956 QBOJOBFRGFSUMO-UHFFFAOYSA-N 423.944 0.827 30 20 HCED N#CCNC(=O)CNC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 807402936 QAZVJZXTRLOPKD-UHFFFAOYSA-N 409.450 0.756 30 20 HCED CN(C)c1ccc(NC(=S)NN=Cc2c(N(C)C)n(C)c(=O)n(C)c2=O)cc1 807970081 VGALDUHKDWQXKO-UHFFFAOYSA-N 403.512 0.537 30 20 HCED CC(=O)N1CC(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 809124801 PZISZGFPOVFMGA-UHFFFAOYSA-N 404.217 0.743 30 20 HCED COC(=O)CCCONC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 811561379 NNOOIRUTQHQTFW-UHFFFAOYSA-N 409.464 0.960 30 20 HCED COc1ccc2c(c1)C(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCCS2 814883431 NKOGGGCYZCUTPQ-UHFFFAOYSA-N 424.504 0.661 30 20 HCED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(C)c2)c1=O 837371189 YFKIWUSJGCVZSU-UHFFFAOYSA-N 403.508 0.098 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 857843531 QLNGRISFOPXLDY-ZDUSSCGKSA-N 401.419 0.875 30 20 HCED C[C@H](OC(=O)C1CCN(S(N)(=O)=O)CC1)C(=O)N(CCC#N)c1ccccc1 914897844 IHDDLYCHVITPTG-AWEZNQCLSA-N 408.480 0.780 30 20 HCED COc1ccc([N+](=O)[O-])cc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918372513 LPNVJMOAMORKEF-UHFFFAOYSA-N 404.404 0.958 30 20 HCED C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)Cn1nc(C)n(C)c1=O 1005096271 RYGKUFMOVDVTLD-OCABDXPQSA-N 403.483 0.120 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1c(C)cc(C)nc1=O 1006384078 KESSAVNKDIWRFQ-DZVNLGKHSA-N 400.479 0.699 30 20 HCED N#CCCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1ccccn1 1116207229 SCIXURZCFYNERD-SFHVURJKSA-N 405.524 0.129 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 1150584835 RMOPKGJZOQRYSQ-SUMWQHHRSA-N 402.480 0.132 30 20 HCED COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1299366069 QGBFSOWUPJSQMJ-UWJYYQICSA-N 410.478 0.883 30 20 HCED N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)CC2)c1 1300155755 WAXLDHFARFLSPU-QGZVFWFLSA-N 405.524 0.554 30 20 HCED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c2=O)ccc1F 1319480003 YNMGNHKQMXNZGL-UHFFFAOYSA-N 417.462 0.661 30 20 HCED CN(C)c1ncc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1C 1321832991 WYJQXGBXRPQRIJ-MRXNPFEDSA-N 409.450 0.879 30 20 HCED N#Cc1ccc(O[C@@H]2CCN(C(=O)C3CCN(c4ccc5nnnn5n4)CC3)C2)nc1 1330437663 YHLHNUXTVUBOEC-MRXNPFEDSA-N 419.449 0.682 30 20 HCED C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1340204698 KMLKCZRWPIAMBK-RAJOGRCSSA-N 403.483 0.058 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2ncc(Br)c2C1 1453480401 VMVQGYBQHZTBKZ-UHFFFAOYSA-N 424.280 0.727 30 20 HCED C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507855186 RUMYKXPJEGMYCI-VXGBXAGGSA-N 402.908 0.452 30 20 HCED N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)CCO1 1521129964 PVYLIQDZEQPFGX-LBPRGKRZSA-N 420.376 0.784 30 20 HCED C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1)N(C)C 1541840342 IVIHDMWJSWSVHL-OAHLLOKOSA-N 417.539 0.848 30 20 HCED C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cn[nH]c1 1541934834 FWEXMHQDMZGZLR-GUYCJALGSA-N 406.516 0.984 30 20 HCED N#CC1(CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 1543260691 MGAIQRYEGQIFOW-HNNXBMFYSA-N 417.553 0.512 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nnn(C)n1 1545864385 QIXUIOXAWSWWGT-UHFFFAOYSA-N 400.491 0.898 30 20 HCED CCN(CCCn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1547575782 VCIPFFASDSHLGC-WMLDXEAASA-N 414.507 0.896 30 20 HCED CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1618847203 MRICHJHJSKPZDO-UHFFFAOYSA-N 422.536 0.831 30 20 HCED CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1620169406 PQKJITNSDFHPSR-UHFFFAOYSA-N 416.507 0.813 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCC[C@H](C#N)C3)CC2)c1 1620566491 WVBKTEHUSIUAHC-QGZVFWFLSA-N 418.519 0.958 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 1624640003 WHXOCBNTTHITFL-JTQLQIEISA-N 414.406 0.297 30 20 HCED 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0.196 30 20 HCED N#Cc1c[nH]c(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cnccc2F)CCO3)c1 1836317834 DIDPWPVRRDFPHS-FQEVSTJZSA-N 413.409 0.804 30 20 HCED C[C@@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3ccc4nncn4c3)CCO2)C1 1837020043 GPNHMTGILZLVGB-ACJLOTCBSA-N 405.480 0.118 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)CC3(O)CCC3)C2)C1 1837403667 XGHBJAOBKCKMIH-KKSFZXQISA-N 410.511 0.321 30 20 HCED CC(C)O[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(C#N)c[nH]3)C2)C1 1837600144 JJGCPDWNMXYIKY-MGPUTAFESA-N 404.467 0.770 30 20 HCED C=CCO[C@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)c3cc(CC)nn3C)CCO2)C1 1838038746 HKABDOJJGMHLKC-IIBYNOLFSA-N 420.510 0.644 30 20 HCED N#Cc1ccc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)c2cc[n+]([O-])cc2)CCO3)cc1 1838338159 PRUHFRORXKTQKB-QFIPXVFZSA-N 422.441 0.575 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@]2(CN(C(=O)c3cn(C(C)(C)C)nn3)CCO2)C1 1838759838 AXBSXEFUEZNYLP-SCLBCKFNSA-N 411.528 0.421 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 1839223180 ONGAMZYZAYUQPC-OXQOHEQNSA-N 420.466 0.191 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3coc(C)n3)C2)C1 1839224418 ROERGQKUMAFSPF-KUHUBIRLSA-N 408.455 0.854 30 20 HCED C=CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CCO2 1839274922 AYJNOENMZCWKQM-IBGZPJMESA-N 405.407 0.947 30 20 HCED C[C@@H](O)C(=O)N1CCO[C@@]2(COCCN(C(=O)/C=C/C(=O)c3cccs3)C2)C1 1840023729 CMEBTGDOZDFUEN-CQJDLURNSA-N 408.476 0.324 30 20 HCED CC(=O)Nc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)[C@H](C)S)CCO3)ccn1 1840160463 HYGSYHFPBUDWRV-DJJJIMSYSA-N 422.507 0.428 30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3cccc4c3OCCO4)C2)C1 1840160637 OBHFFFWJSQAOHH-XOBRGWDASA-N 422.503 0.846 30 20 HCED CCc1cc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)nn1C 1840814440 JEZLDFDMXXCYQP-OAQYLSRUSA-N 415.494 0.746 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H](CCC)NC(C)=O)CCO2 1840855793 URKIZKOXVZMZIX-NQIIRXRSSA-N 407.511 0.551 30 20 HCED CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2)C1CC1 1841412024 AWPUYNOXFMIHDL-HNNXBMFYSA-N 419.478 0.971 30 20 HCED C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)COCCO)C2 1841747695 GXBQZEBOSBEQDP-HNNXBMFYSA-N 411.499 0.668 30 20 HCED O=C(NCCC(=O)N1CCCC12CN(C(=O)/C=N/N1CCCCC1)C2)c1ccc[nH]1 1842015340 MAMBTNZWGGJJKN-ZVHZXABRSA-N 414.510 0.810 30 20 HCED N#Cc1cc(CC(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)CCN2C(=O)C=CC2=O)ccc1F 1847950467 NMCUSWSHSSJPIW-ROUUACIJSA-N 424.432 0.757 30 20 HCED COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc(C#N)n1 14143312 NURDJASAUFQVAI-UHFFFAOYSA-N 404.452 0.972 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 16518170 INSQXSQZIYGDIT-UHFFFAOYSA-N 400.888 0.658 30 20 HCED CN(C)C(=O)CN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 27204093 AYSASSYEMWIKTP-UHFFFAOYSA-N 410.440 0.879 30 20 HCED CS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 41403535 CFMQCZCEDXQUFT-UHFFFAOYSA-N 416.459 0.741 30 20 HCED COC(=O)Cn1cc(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)nn1 409505610 CQTHTJXQTHOLMC-UHFFFAOYSA-N 403.342 0.820 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NCCNC(=O)c2cccc(Br)c2)CCO1 409595844 HQAZLWOPJDMHSF-ZDUSSCGKSA-N 417.285 0.238 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 437065196 XZYJIVRLZTTYDT-FZKQIMNGSA-N 401.419 0.612 30 20 HCED CN(Cc1cccc(C#N)c1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 438578428 WSAMDUBEJCUXSX-UHFFFAOYSA-N 406.446 1.521 30 20 HCED C=CCN1CCC(NC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 442259247 BOUKQHQUIMRCEH-UHFFFAOYSA-N 424.523 0.651 30 20 HCED C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn([C@H]2CCOC2)c1 443742138 GLJCOZHYTGCWBR-KGLIPLIRSA-N 403.468 0.406 30 20 HCED N#Cc1cccc(-c2cc(C(=O)N[C@H]3CS(=O)(=O)C[C@@H]3N3CCOCC3)on2)c1 447438311 GKJQLKNBAMYYTO-IRXDYDNUSA-N 416.459 0.441 30 20 HCED CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 447455558 YMJRTKZCTIFBLQ-CVEARBPZSA-N 405.451 0.768 30 20 HCED N#Cc1cccnc1-n1cc(NC(=O)C(=O)NCc2ccc(-n3cncn3)cc2)cn1 460591195 MKSUVRAMUYKTOL-UHFFFAOYSA-N 413.401 0.975 30 20 HCED CN(C)CCNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1 462367589 DKMZMIQSSCNUBA-UHFFFAOYSA-N 409.493 0.594 30 20 HCED Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC2CCN(CC#N)CC2)C1 464795714 RYMLPSBDBWKCRK-KRWDZBQOSA-N 422.555 0.779 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)cn1C 483518411 IVIBDIFPIMRKCE-UHFFFAOYSA-N 416.507 0.223 30 20 HCED CCOC(=O)c1c(NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C#N)cn1CCOC 484026575 OMAPBJOYIKRRIC-UHFFFAOYSA-N 423.451 0.421 30 20 HCED COCCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 487331442 FRZXHTOFUPLSJE-HOTGVXAUSA-N 411.480 0.347 30 20 HCED C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 489332513 QUGLEYGIGLQNBO-JKSUJKDBSA-N 406.508 0.557 30 20 HCED CS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1 490041099 GFTFUNQRIYKQFE-CYBMUJFWSA-N 408.461 0.594 30 20 HCED C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(C#N)cn2)CC1 497487814 AFCNYUQESMMFJN-CQSZACIVSA-N 414.491 0.750 30 20 HCED Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 504339737 WQCIQVHECBRJML-CYBMUJFWSA-N 407.473 0.818 30 20 HCED Cc1cc(NC(=O)C(=O)N2CC[C@H](S(=O)(=O)N3CCCC3)C2)nn1CCC#N 504990443 DHCJJWWSGIBGKB-AWEZNQCLSA-N 408.484 0.070 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 508839101 CETYVQBDDSQMCB-DZGCQCFKSA-N 410.544 0.817 30 20 HCED C=CCNC(=O)NC(=O)CN1CCN(CC(=O)NC(=O)NCC=C)[C@@H]([C@H](C)CC)C1 510429428 ZNUYOYUYYTWLKP-HZPDHXFCSA-N 422.530 0.042 30 20 HCED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)NCC(=O)NCC#N 511897521 UFVABBBVVXOIBL-UHFFFAOYSA-N 402.411 0.524 30 20 HCED CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccc(OC)nc1 517154743 ZSRABCUPGGYQIO-UHFFFAOYSA-N 424.457 0.999 30 20 HCED N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1)CC2 519709979 ORCNUWGKIBHYCV-UHFFFAOYSA-N 412.471 0.683 30 20 HCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(CC(N)=O)c1=O 524282012 LPYUVGDCZZJFBJ-UHFFFAOYSA-N 416.478 0.118 30 20 HCED CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1CC(N)=O 527279862 KZYMSRDHJHTGMV-UHFFFAOYSA-N 414.512 0.837 30 20 HCED N#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 532914347 UAJRAAYHXWOVMT-UHFFFAOYSA-N 401.286 0.395 30 20 HCED C=CCNC(=O)CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C(C)C)ccc1C 540745845 IMEBXWAKKXLISZ-UHFFFAOYSA-N 410.496 0.381 30 20 HCED N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3-n3ccnn3)CC2)n1 544874570 YOEODPSSXVCKEG-UHFFFAOYSA-N 402.418 0.821 30 20 HCED COC(=O)c1cn([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)nn1 546932449 HCEWAMLVWPFFAE-DOTOQJQBSA-N 403.487 0.004 30 20 HCED C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549326427 OMECZCGSKPZZNI-HNNXBMFYSA-N 411.422 0.576 30 20 HCED N#Cc1ccc(N2CCC[C@@H](N3C(=O)NC4(CCS(=O)(=O)CC4)C3=O)C2=O)cc1 552737715 XSLRRCBKLBVERW-OAHLLOKOSA-N 416.459 0.553 30 20 HCED C=CCN1CCC(NC(=O)C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)CC1 553669942 QBMPOYUOOLZOGW-UHFFFAOYSA-N 405.587 0.629 30 20 HCED CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 555847540 PLUDMRNNGTWMSJ-UHFFFAOYSA-N 422.283 0.540 30 20 HCED C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)cc1 560493955 RPZUKATWNYSDLP-MRXNPFEDSA-N 418.519 0.935 30 20 HCED N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)cc2)ccn1 569771967 DLQUMOXFMDDOFQ-UHFFFAOYSA-N 400.416 0.941 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)cc1 574801688 KJUJMEJZADKJCO-MRXNPFEDSA-N 402.407 0.507 30 20 HCED C=CCN(C(=O)CNS(=O)(=O)c1cc(C)ccc1C)[C@@H]1CCS(=O)(=O)C1 584025168 RINQKTQLVHIHMN-OAHLLOKOSA-N 400.522 0.783 30 20 HCED CS(=O)(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cn2)CC1 609565959 SAODXUZMSFNUHE-UHFFFAOYSA-N 422.492 0.231 30 20 HCED COC(=O)CN(CC#N)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 609992377 LBNLHBJIDVEXNM-UHFFFAOYSA-N 418.269 0.838 30 20 HCED CCOC(=O)N1CCC(NC(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 727008776 ULJBCGRBFFMNDT-UHFFFAOYSA-N 416.434 0.568 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(C)cc2)CC1 728534198 XUXUZJBWJCEXQF-UHFFFAOYSA-N 412.519 0.561 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 728608615 KQNVLSDFSIXOTP-UHFFFAOYSA-N 411.289 0.617 30 20 HCED C=CCNC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 728967558 OWKXLLYYLYAPSC-LNSITVRQSA-N 416.883 0.698 30 20 HCED COCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 730685503 HLNYSMCOHVIXKS-IAGOWNOFSA-N 407.492 0.700 30 20 HCED N#CCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 731233779 PYRCDWUZVLDFLK-LBPRGKRZSA-N 415.855 0.594 30 20 HCED N#Cc1ccc([C@H](C(N)=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 734483936 MZOCFJGLGVEXQX-GOSISDBHSA-N 409.471 0.851 30 20 HCED CCc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1S(N)(=O)=O 735750832 JXRAGGUSAXXOEM-FOCLMDBBSA-N 407.452 0.544 30 20 HCED Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2c1c(=O)n(C)c(=O)n2C 738860358 KPXSPXPIGXFZAE-YUNKPMOVSA-N 415.450 0.540 30 20 HCED C[C@@H](CC(=O)NCCN1C(=O)CSC1=O)/N=C1/NS(=O)(=O)c2ccccc21 742560822 NAUHOUCXPVGOQV-JTQLQIEISA-N 410.477 0.315 30 20 HCED COCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3OC)c2=O)cn1 743726696 JNNQVZJQUSSSDX-UHFFFAOYSA-N 407.455 0.777 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CCO)C2CC2)cc1 749742101 RSYIDMLMLVGUHR-UDWOFDDZSA-N 422.507 0.715 30 20 HCED COc1ccc(NC(=O)[C@@H](C#N)C(=O)CCc2nc3c(O)nc(=O)n(C)c3[nH]2)cc1 750687760 OJKBQLUKHGKEFC-LBPRGKRZSA-N 410.390 0.651 30 20 HCED CSCCn1c(=C(C#N)C#N)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 751830130 CUZPRPGPYRHJIJ-UHFFFAOYSA-N 405.526 0.703 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)OC)c2)c(=O)n1CC(C)C 753356417 CKBFALUSXJDQML-UHFFFAOYSA-N 414.487 0.486 30 20 HCED CCn1nccc1C=c1sc(=C(C#N)C(=O)Nc2ccccn2)n(CCOC)c1=O 753789262 TXNXIOQWNOGKLE-UHFFFAOYSA-N 424.486 0.309 30 20 HCED CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 758224615 DYWVLIAIGYITOB-HDOZFUISSA-N 420.495 0.741 30 20 HCED CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 758762334 SQYSUEUDSVPAGR-YNEHKIRRSA-N 401.489 0.079 30 20 HCED CN1CCC(C#N)(NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 760866254 CZXPSDUOPPTIRD-HNNXBMFYSA-N 407.515 0.996 30 20 HCED 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C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc3O1)C2 1793340736 NWLZXBIWHJKOMD-BUSATUKNSA-N 414.458 0.454 30 20 HCED C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(C(C)(C)C)n[nH]1)C2 1793344674 JVPMPYKMZLIFLT-AFIMGQEJSA-N 402.495 0.949 30 20 HCED C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C#Cc1ccccc1)C2 1793367132 DYBUPXKTOHPKTA-BOLBYERCSA-N 418.515 0.308 30 20 HCED COC(=O)C12CC(C(=O)N3C[C@@H]4COC[C@H](C3)[C@@H]4NC(=O)[C@H](S)C(C)C)(C1)C2 1793387615 JSORCFKIFDKMNK-MRPNUNQFSA-N 410.536 0.874 30 20 HCED CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1ccc(F)c(C#N)c1)C2 1793641743 ZHIJIFPEBKDMDH-NZGUISNBSA-N 414.481 0.924 30 20 HCED CCc1oncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)/C=N/N1CCCCC1)C2 1794943641 VHIQOKRBKVETCX-ZFGVFASFSA-N 403.483 0.912 30 20 HCED CC(C)[C@@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccco1 1795845631 BFLGQIKGPYHHKM-DLTLXFJOSA-N 409.508 0.553 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CNC(=N)N 1795985518 ITXPCVRNXAHODD-LXTVHRRPSA-N 420.514 0.024 30 20 HCED CC[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(CC#N)cc1)C2 1796321580 XZYPZGSXGFRAMJ-MHORFTMASA-N 413.478 0.403 30 20 HCED C[C@H](S)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cccc(N2CCOCC2)n1 1796619596 YQEIXNUAYQNHEW-AFIMGQEJSA-N 420.535 0.440 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CC(F)(F)C(=O)O)C2 1797711571 YNUWQGPKAQEEDY-GFQSEFKGSA-N 404.410 0.259 30 20 HCED O=C(C#CC1(O)CCCCC1)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccc(O)cn1)C2 1797781571 QSWZXNQMBRRSBF-CWPLJXCYSA-N 413.474 0.689 30 20 HCED O=C(O)C#CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(=O)c1ccc(Cl)cc1)C2 1800774828 PPSMHMHECJCFGA-FVCICTRLSA-N 404.806 0.200 30 20 HCED Cc1ccc(COCC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)C#CC(=O)O)cc1C 1800775789 GWTHAMUQJFWBRF-OPMZPASUSA-N 414.458 0.498 30 20 HCED C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)C2 1801601588 NUAXZYCEJSQGEM-XGUBFFRZSA-N 407.467 0.714 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H](CNC(=O)c2cn(C)cn2)[C@H]1c1cccnc1 1805948553 XCHBGCIOFPXQQB-KVANESHQSA-N 422.489 0.993 30 20 HCED C=CCSCC(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807042714 LYDWFGGTZJEMNQ-JTDSTZFVSA-N 419.551 0.599 30 20 HCED C=CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)[C@@H](N)CCC(N)=O)[C@H]1c1cccnc1 1807045043 XKHNTZXELXCHOI-VYCZESIESA-N 417.510 0.271 30 20 HCED C=C(CC(=O)OCC)C(=O)N1CC[C@@H](CNC(=O)CNC(=N)N)[C@H]1c1cccnc1 1807060072 UHMCQOHYPWUACQ-MAUKXSAKSA-N 416.482 0.080 30 20 HCED CNC(=O)CC(=O)N1CC[C@@H](CNC(=O)/C=N/N2CCCCC2)[C@@H]1c1cccnc1 1810279461 WYULQNYPNUVTQO-GJMNYFFTSA-N 414.510 0.695 30 20 HCED COc1ccnc(C(=O)NC[C@@H]2CCN(C(=O)C#CC(=O)O)[C@@H]2c2cccnc2)c1 1810811307 CQFHVMKYZIONQQ-MGPUTAFESA-N 408.414 0.893 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@@H](CNC(=O)CCC(N)=O)[C@@H]1c1cccnc1 1812626637 OKBUKDIOVHUELT-OLIFAPLXSA-N 413.478 0.211 30 20 HCED O=C(O)C#CC(=O)NC[C@@H]1CCN(C(=O)C/N=C/c2ccco2)[C@H]1c1cccnc1 1812879956 DREKRSFPLCQKTK-XQWFKHRNSA-N 408.414 0.888 30 20 HCED C#CCO[C@@H](C)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)CS(=O)(=O)CC)n[nH]1 1815171605 ZDEUYEWXKGEAFZ-DZGCQCFKSA-N 410.496 0.875 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCCC[C@@H]1c1cc(NC(=O)Cn2cncn2)n[nH]1 1817606584 NKWUFSATSRPENP-IDTUSYRASA-N 412.454 0.552 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)Cn2cnnn2)n[nH]1 1817616664 QTLPZHKGKPCYDX-OCCSQVGLSA-N 403.447 0.889 30 20 HCED N#Cc1cc(CC(=O)Nc2cc([C@@H]3CCCCN3C(=O)[C@@H](N)CN)[nH]n2)ccc1F 1820912570 QHMRHWSDKLAOKP-RDJZCZTQSA-N 413.457 0.941 30 20 HCED N#CC1(C(=O)Nc2cc([C@H]3CCCCN3C(=O)C[C@H]3NC(=O)NC3=O)[nH]n2)CCC1 1823376232 FBQPOAPTJKSLQB-CHWSQXEVSA-N 413.438 0.694 30 20 HCED O=C(O)C#CC(=O)N1CCC([C@H]2CCCCN2C(=O)[C@@H]2CCCS2(=O)=O)CC1 1831285842 NBAARGXXBBHRLJ-CVEARBPZSA-N 410.492 0.271 30 20 HCED C=CCOCCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)N(C)CC)C2)C1 1831413188 PIWGFKMJVCTYAK-GHTZIAJQSA-N 411.543 0.766 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3c(C)n[nH]c3C)C2)C1 1831425774 DOMBRRUEZNRHFU-OXJNMPFZSA-N 406.483 0.688 30 20 HCED CC(C)[C@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)[C@H](C)n3cncn3)C2)C1 1831497522 DKDFCCUPLHOECH-MPGHIAIKSA-N 411.528 0.250 30 20 HCED C#CCCCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1ccc(OC)nc1)CCO2 1831955854 QUWSATYYPCPJRR-NRFANRHFSA-N 401.463 0.964 30 20 HCED C[C@](O)(C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)C(F)(F)F 1832166342 IZHYGGDZHCJMAG-RDJZCZTQSA-N 419.400 0.450 30 20 HCED C=CCSCC(=O)N1CCO[C@@]2(COCCN(C(=O)[C@H](C)NC(=O)CC)C2)C1 1832447233 QZLKVFMSWQKHKJ-KXBFYZLASA-N 413.540 0.277 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCC(N2CCC(NC(=O)C3CC(O)C3)CC2)CC1 1833273530 WMYXKXKFNWYDSM-ARJAWSKDSA-N 418.538 0.187 30 20 HCED C[C@H](S)C(=O)N1CCOC[C@@]2(CN(C(=O)c3n[nH]c(C4CC4)c3F)CCO2)C1 1833687366 YRPAPXILVHLYTF-VOJFVSQTSA-N 412.487 0.815 30 20 HCED Cc1nn(C)c(C(=O)N2CCO[C@]3(COCCN(C(=O)C4(C#N)CCC4)C3)C2)c1F 1833711249 BUFPVEIDCMUVHD-HXUWFJFHSA-N 419.457 0.632 30 20 HCED C[C@H](C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1)[S@@](=O)c1ccccc1 1834767517 SQCAXQFKNMKWEB-VGUHALLBSA-N 419.503 0.553 30 20 HCED CC[C@H](NC)C(=O)NC1CCN(C2CCN(C(=O)C(C)(C)NCCC#N)CC2)CC1 1834790246 ILJMWLUWEHRMOQ-IBGZPJMESA-N 420.602 0.838 30 20 HCED CC(C)(C)n1cc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2(C#N)CC2)CCO3)nn1 1835345673 UBLIMZKSNITMIT-FQEVSTJZSA-N 416.482 0.407 30 20 HCED N#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@H]3CC[C@H]4CCC(=O)N4C3)C2)C1 1835359195 YRXGXKNRXOPJIU-XGHQBKJUSA-N 418.494 0.148 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)Cn3cccn3)CCO2)C1 1836172154 IYLUYDNXPAHUQQ-LPHOPBHVSA-N 407.471 0.140 30 20 HCED N#CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)Cc1ccc3c(c1)CCCO3)CCO2 1836679806 MGMBIUVKBUMEED-QFIPXVFZSA-N 413.474 0.924 30 20 HCED CN(C)CCC(=O)N1CCOC[C@@]2(CN(C(=O)C#CC3(O)CCCCC3)CCO2)C1 1837489315 CQYZMTVSYMSJGX-QFIPXVFZSA-N 421.538 0.093 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)CC#N)C2)C1)N1CSCSC1 1837570297 KFJGYVDTPJXFCR-WMLDXEAASA-N 414.553 0.399 30 20 HCED COc1cc(C#N)cc(C(=O)N2CCO[C@@]3(COCCN(C(=O)[C@H](C)CN)C3)C2)c1 1838581795 QESPNHYGOBZCSB-QVKFZJNVSA-N 416.478 0.232 30 20 HCED Cc1ccc(OC(C)(C)C(=O)N2CCO[C@]3(COCCN(C(=O)CC#N)C3)C2)nc1 1839052897 SHVNQDBYYLYXAZ-NRFANRHFSA-N 416.478 0.918 30 20 HCED C#CC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@@H]1CCc3cccc(OC)c3C1)CCO2 1839795099 YBYPYHYKJZGMTE-JPYJTQIMSA-N 412.486 0.890 30 20 HCED O=C(C/N=C/c1ccco1)N1CCOC[C@@]2(C1)CN(C(=O)[C@@H]1CCCO1)CCO2 1840013975 BNIRALZHULMGKB-UMQMUVBQSA-N 405.451 0.334 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1840168721 OATLZQVCYVQQRU-HSZRJFAPSA-N 416.518 0.945 30 20 HCED C#CCCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)Cn3ccccc3=O)C2)C1 1840292375 LHRUOTHJHHSHHV-QFIPXVFZSA-N 415.490 0.498 30 20 HCED C#CCCCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn(C)c3C)C2)C1 1840292809 MKIOLFBLCUREHK-OAQYLSRUSA-N 402.495 0.992 30 20 HCED C=CCO[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)CCc3ncc[nH]3)CCO2)C1 1840323398 FZONAFVRLOPRSO-JXFKEZNVSA-N 406.483 0.390 30 20 HCED N#CC1(C(=O)N2CCOC[C@@]3(CN(C(=O)CCCn4ccnc4)CCO3)C2)CCC1 1840385558 OMSJHCHDBYORBR-OAQYLSRUSA-N 415.494 0.814 30 20 HCED C=CCSCC(=O)N1CCOC[C@]2(C1)CN(C(=O)[C@H](C)n1cncn1)CCO2 1840415480 FNXWKMHALDKJLS-YJBOKZPZSA-N 409.512 0.215 30 20 HCED C[C@@H](C(=O)N1CCO[C@@]2(COCCN(C(=O)C3(C#N)CCC3)C2)C1)n1cccn1 1840444787 GPVYAACBYHQLCQ-JXFKEZNVSA-N 401.467 0.594 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCCn3cccc3)CCO2)C1 1840459365 FDQKARJJPTZOAO-DENIHFKCSA-N 417.506 0.763 30 20 HCED CCCNC(=O)CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840812257 HVTARDUUIIBGRX-NRFANRHFSA-N 420.510 0.443 30 20 HCED COCCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)COc1ccccc1C#N)CCO2 1840819206 WAWDSGNBUGHZKC-OAQYLSRUSA-N 417.462 0.430 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)[C@@H]3CCc4nc[nH]c4C3)C2)C1 1840844774 LBJOXQXJLCINAM-IIBYNOLFSA-N 400.479 0.384 30 20 HCED C#CC(=O)N1CC2(CCCN2C(=O)[C@H](CC[S@](C)=O)NC(=O)OC(C)(C)C)C1 1841232148 YGVRPZQKBCEAEQ-POXGOYDTSA-N 411.524 0.485 30 20 HCED C[C@H](C(=O)N1CC2(CCCN2C(=O)C/N=C/c2ccco2)C1)[C@@H]1SC(=N)NC1=O 1844314318 XFWVORUCEFAVAV-ONRJVKCYSA-N 417.491 0.704 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCCC12CN(C(=O)CN1CCS(=O)(=O)CC1)C2 1844355324 BCJZFPNSJZLJIF-UHFFFAOYSA-N 411.568 0.913 30 20 HCED CC(C)[C@@H](S)C(=O)N1CC2(CCCN2C(=O)[C@H](O)NC(=O)OC(C)(C)C)C1 1845436304 AFIPYDASURZPCX-OLZOCXBDSA-N 401.529 0.987 30 20 HCED C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC12CN(C(=O)C#CC(=O)O)C2 1847069066 KTHJKZKLRRMPCW-AWEZNQCLSA-N 403.435 0.194 30 20 HCED CS(=O)(=O)Cc1ncccc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)C#CC1CC1 1847744144 PITXFCQSRHBMJA-ROUUACIJSA-N 401.488 0.855 30 20 HCED O=C(/C=C/C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CNC1=O)c1cccs1 1848029613 OLZBCBNVWBXILC-GFSGRHGLSA-N 416.459 0.241 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(=O)NCC)CC2)cc1 57859871 HGDYMVQJEMJEDT-UHFFFAOYSA-N 423.539 0.779 30 20 HCED CC(C)Cn1c(CCC(N)=O)nnc1S(=O)(=O)CC(=O)Nc1cccc(C#N)c1 146010979 XMXNAOASNBEXIQ-UHFFFAOYSA-N 418.479 0.636 30 20 HCED CCOC[C@H](C)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 148607569 XRHJKWSKKYBYMM-JPDJOPTESA-N 410.496 0.979 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)CCCC(=O)N(C)[C@H]2CCN(CC=C)C2=O)C1=O 410116264 OTMTZEDTUHAWBG-IRXDYDNUSA-N 404.511 0.647 30 20 HCED N#C[C@H]1CN(S(=O)(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)CCO1 410125779 PQFDATXBLNYLQE-OCCSQVGLSA-N 409.386 0.504 30 20 HCED C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 431392311 YTEKZFGMNBXQMU-QGZVFWFLSA-N 411.462 0.675 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3ccccc3O)CC2)nc1 436840355 QHHAMQBETYJUMC-UHFFFAOYSA-N 400.460 0.891 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1=O 440261034 WSEITZHZNZPIFP-AWEZNQCLSA-N 408.480 0.087 30 20 HCED C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 442045041 PPKNUTNLYVYBKQ-DGCLKSJQSA-N 401.448 0.782 30 20 HCED CCCc1c(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cnn1-c1cccc(C#N)c1 443678837 DMUPDPCUPLFQCH-AWEZNQCLSA-N 409.450 0.904 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(c4ccnn4C)C3)CC2)c1C#N 447047757 MCNQJFCKAHFFNC-INIZCTEOSA-N 411.514 0.834 30 20 HCED C=CCNS(=O)(=O)c1cccc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)c1 460640488 AWLSXHQQPYLFST-UHFFFAOYSA-N 400.482 0.985 30 20 HCED N#Cc1ccc(OC2CN(C(=O)c3ccc4c(c3)S(=O)(=O)N=C3N=CNN34)C2)cc1 461727620 LYZPIWRVQPMPHU-UHFFFAOYSA-N 422.426 0.873 30 20 HCED N#CCN1CCC(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 464975709 CXTILCXTLLMXCF-UHFFFAOYSA-N 406.508 0.673 30 20 HCED Cc1cc(N2CC[C@H](NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2=O)n(C)n1 466277838 VZLATDXOOYILKP-INIZCTEOSA-N 408.466 0.632 30 20 HCED CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 467115830 JBWYBJHQWSNALJ-UHFFFAOYSA-N 410.496 0.331 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c1C#N 471692795 KLFJZKJPHZNMCV-UHFFFAOYSA-N 416.507 0.813 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)c1C#N 472073554 IIEYYOKPFUNZSE-ZBFHGGJFSA-N 403.487 0.068 30 20 HCED CC(C)OCCS(=O)(=O)N1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 475728399 AKYIANYSPGWGKZ-UHFFFAOYSA-N 408.524 0.547 30 20 HCED Cc1nsc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 482436273 JGPPIWKMNOUMST-GFCCVEGCSA-N 420.520 0.734 30 20 HCED COCCc1cc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n(C)n1 490497540 DNIQKMSNQGXXLR-UHFFFAOYSA-N 414.441 0.907 30 20 HCED C=CCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC 502715290 IOIZOMJFIKIGRN-HZPDHXFCSA-N 410.492 0.488 30 20 HCED N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2c(-c3ncccn3)noc2=O)CC1 502896264 NSPPIDARCYJRPT-ZDUSSCGKSA-N 411.447 0.764 30 20 HCED N#CCCCS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 503237605 RBBZYLYHDDJVLV-UHFFFAOYSA-N 401.466 0.054 30 20 HCED CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN(CC#N)C3CC3)CC2)c1 503545854 AZGOSHIBWUUUDH-UHFFFAOYSA-N 404.492 0.710 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC(O)(CC#N)C1 506358023 SSOILZYRJCOXGD-UHFFFAOYSA-N 417.491 0.556 30 20 HCED Cn1cc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2=O)cn1 508635212 BQSOPHQPTLTFTL-GOSISDBHSA-N 421.461 0.846 30 20 HCED Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CCO[C@H](C#N)C1 509994586 ARHOKHDPPHTYNV-MRXNPFEDSA-N 417.491 0.820 30 20 HCED COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2ccccc2CN2CCCC2=O)c1 515557936 OJXQJDVMBHXUDV-UHFFFAOYSA-N 422.441 0.945 30 20 HCED CCN(C[C@H](C)C#N)C(=O)CN1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 531841643 NHKYVRWVRRKKAW-MRXNPFEDSA-N 420.535 0.856 30 20 HCED CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 542989467 KMGYYMMPIPVZSH-CQSZACIVSA-N 416.825 0.309 30 20 HCED C=CCn1c(Cc2noc(CCSc3nnnn3C)n2)nnc1N1CCOCC1 545648236 PWHCGKMNWBMYOM-UHFFFAOYSA-N 418.487 0.133 30 20 HCED CC(C)NC(=O)CN(C)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 556619097 JFVYSWWFVQZILD-UHFFFAOYSA-N 411.510 0.831 30 20 HCED COC(=O)c1cccc(CN2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)c1C#N 559397689 VLDFXNPUZXCIIP-INIZCTEOSA-N 400.479 0.710 30 20 HCED N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccc(C(N)=O)cn3)CC2)nc1 561779898 WWGPUFKHJCGLCN-UHFFFAOYSA-N 400.464 0.043 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)OC)C1=O 565497219 LYVGUHQWLZPGJQ-DZGCQCFKSA-N 401.419 0.500 30 20 HCED COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 571213951 WHRWQQBNDOEMQB-XNJGSVPQSA-N 408.418 0.878 30 20 HCED N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC(N3CCCNC3=O)CC2)n1 571606441 VKVGBULFRILNNL-UHFFFAOYSA-N 422.449 0.484 30 20 HCED CN(C)C(=O)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCC1 573751823 JGBYMUHGIQEEIT-UHFFFAOYSA-N 412.494 0.367 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NC[C@@H]3CCCN(C(C)C)C3)CC2)c1C#N 574026681 SPESAVWBFGIXJH-KRWDZBQOSA-N 415.542 0.485 30 20 HCED CNC(=O)c1cccc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 585720912 COILGSKWORJYQI-UHFFFAOYSA-N 420.473 0.714 30 20 HCED CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@](C)(C#N)CN(C)C)c2)CC1 589826926 FMELQOROCVMYPI-IBGZPJMESA-N 421.523 0.113 30 20 HCED N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCc2ccc(S(N)(=O)=O)cc21 610753754 QMLDQLOKQVKAMF-UHFFFAOYSA-N 408.417 0.865 30 20 HCED COCCOc1ccccc1NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 615049678 XVQVQJGKYJSPTL-UHFFFAOYSA-N 400.439 0.918 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(C)Cc2ccccc2C)C1=O 726043928 WCCCVVLMXMEATF-CQSZACIVSA-N 401.419 0.862 30 20 HCED CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 726402166 ULLCJOVKVOIDKY-CQSZACIVSA-N 419.507 0.722 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1cnn(CC)c1 726578142 WGDJHRGQRQYIDA-ZDUSSCGKSA-N 410.503 0.967 30 20 HCED C#Cc1ccc(C(=O)OCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cn1 729030381 GNTTZNAJYMWRPR-IRXDYDNUSA-N 406.460 0.414 30 20 HCED COc1cccc([C@@H](O)CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 732294164 HTBHIHAODVJHIK-INIZCTEOSA-N 403.460 0.974 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H](C)CS(=O)(=O)CC)c1 733185271 XTXHHPWYFNVAJZ-AWEZNQCLSA-N 400.522 0.883 30 20 HCED CN1CC[C@H](CNC(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 737241853 MVKZVDKRWVCCFG-PFKVCDDJSA-N 421.523 0.506 30 20 HCED C[C@H](CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 745494701 BFOHXADZANKNMA-CWTRNNRKSA-N 418.475 0.855 30 20 HCED Cc1ccc(N(CCC#N)C(=O)CN2CCN(CCS(N)(=O)=O)CC2)cc1C 746490821 YOBBVTTZEMRLAO-UHFFFAOYSA-N 407.540 0.456 30 20 HCED C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 752849185 SXNLUJQDDZJKEJ-DLBZAZTESA-N 407.540 0.505 30 20 HCED C#C[C@H](CC)NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c1ccccc1 754372402 YPHZGQCJKJISBQ-OMCKNOPTSA-N 412.533 0.908 30 20 HCED Cn1nc2c(c1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCC2 755548791 QZVZRUZROBQKFE-FZMZJTMJSA-N 402.455 0.723 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 758605768 SPKOPKKDDQABAX-MJBXVCDLSA-N 415.516 0.469 30 20 HCED C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 761025628 WRMNAYQUNCGDDO-HNNXBMFYSA-N 422.507 0.260 30 20 HCED Cn1cc(S(=O)(=O)NN=Cc2sccc2Br)c(=O)n(C)c1=O 764907823 DUWVBXYYQNVYQN-UHFFFAOYSA-N 407.271 0.220 30 20 HCED Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(Cc3ccon3)c2=O)cn1 765145270 ONZOMJFSDMAWHD-UHFFFAOYSA-N 424.486 0.241 30 20 HCED C#C[C@H](C)N(C)C(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O 767231879 VAUPWBKSPDWUOH-INIZCTEOSA-N 423.473 0.535 30 20 HCED CCOC(=O)CON=C(C(=O)NCc1ccnc(N2CCOCC2)c1)c1cc[nH]n1 770822554 BSKGXLQCIKTSJK-UHFFFAOYSA-N 416.438 0.242 30 20 HCED C=CCn1nnn(CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1=S 771172460 UZHARHBRYXTTEE-CYBMUJFWSA-N 400.464 0.950 30 20 HCED COC(=O)C[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCOC1 771654130 JNZASPFTBAFFHT-ACJLOTCBSA-N 409.464 0.454 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N[C@H](C)CC)c1)[C@@H]1CCCO1 773794493 MSTDPPUMEPRMOG-COXVUDFISA-N 407.492 0.999 30 20 HCED CCOC(=O)c1c(NC(=O)NC[C@H](O)c2cnn(C)c2)c(C#N)cn1CCOC 775766819 FPJNSFQMXWIIND-AWEZNQCLSA-N 404.427 0.771 30 20 HCED C#C[C@@H](NCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCCO1 775793808 FIPZHKCKTKQEHW-QZTJIDSGSA-N 407.492 0.416 30 20 HCED COC[C@H](C)n1ccc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 778702308 VKVYDLLIMYJRCX-BFHYXJOUSA-N 420.470 0.904 30 20 HCED CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCc2ccc(C#N)cn2)c1 782131124 SDFPACAZKCPWRP-UHFFFAOYSA-N 405.411 0.598 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 783475928 RVVIURKORDJDDA-QGZVFWFLSA-N 421.544 0.827 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 783480839 MJBZHLBBBISFFD-MRXNPFEDSA-N 403.460 0.401 30 20 HCED C=CCS(=O)(=O)CCNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 783539131 JEMMVWYYPVPULA-UHFFFAOYSA-N 403.478 0.339 30 20 HCED CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cc1 784704250 NHPKRPSJFXQAKI-UHFFFAOYSA-N 402.432 0.752 30 20 HCED COC1(C)CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 784860130 MJMBQNXZULNIEY-HKWRFOASSA-N 408.480 0.685 30 20 HCED CCOC(=O)C1(S(C)(=O)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 796184296 NXFRKRXYQWAUQE-UHFFFAOYSA-N 418.468 0.828 30 20 HCED C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(OC)c(OC)c(C)c1OC 796985868 OKBAJRLNWSOBOM-UHFFFAOYSA-N 400.453 0.676 30 20 HCED C=CCN1CC[C@@H](OC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1=O 798573878 FKCURPGHZZEODY-MRXNPFEDSA-N 421.475 0.422 30 20 HCED COCCN1C(=O)/C(=C(/Nc2ccccc2C#N)[C@@H](F)C(=O)OC)C(=O)NC1=S 799135265 BDUWYKVEABXQGM-MNWMYKRDSA-N 420.422 0.625 30 20 HCED CCN1CCN(c2ccc(CNS(=O)(=O)N3CCO[C@@H](C#N)C3)cc2F)CC1 800047443 LRXZFYDNUVZRBE-INIZCTEOSA-N 411.503 0.526 30 20 HCED C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 800784013 SCSOFNURPWPGFG-AWEZNQCLSA-N 412.450 0.295 30 20 HCED COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 802163412 OYIDHLRIXWVTIM-GWCFXTLKSA-N 421.479 0.794 30 20 HCED CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 819076949 QTORPLKQTXGSKB-QGZVFWFLSA-N 418.519 0.878 30 20 HCED COC[C@H](C)NC(=S)NN=C(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 916281875 VSNVEXBDPBFFQB-ZDUSSCGKSA-N 414.553 0.931 30 20 HCED COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 916875811 UHNGLAWUJBDVCW-HIFRSBDPSA-N 401.419 0.672 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 916891234 SSPWWVJVLQVUSJ-OCCSQVGLSA-N 419.434 0.537 30 20 HCED Cc1cccc(NC(=O)[C@@H](C#N)C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 916897282 GBIIEYOTNZCJDX-CABCVRRESA-N 416.459 0.808 30 20 HCED CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 918948122 FJKNHQKCNLTNMC-NSHDSACASA-N 402.363 0.742 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)OC[C@@H]3CCCO3)CC2)o1 921094456 CVZDTVWBVDZUJX-ZFWWWQNUSA-N 406.439 0.631 30 20 HCED COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 1128962699 RHDGKPYJXUWYDG-UHFFFAOYSA-N 412.446 0.631 30 20 HCED CC(C)(C)N1C[C@H](CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1167409940 NFZLOJROWYYIRG-ZDUSSCGKSA-N 406.508 0.878 30 20 HCED Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)cn1C 1253087628 XWWPPJXXGCTZPM-UHFFFAOYSA-N 423.520 0.490 30 20 HCED C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nnnn1C 1262648276 DVASFDJEYVNEPZ-GFCCVEGCSA-N 403.468 0.360 30 20 HCED CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCOC1 1302685785 PPOJQEZXHBNWDF-FOIQADDNSA-N 412.498 0.930 30 20 HCED N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCOCC2)C1 1302980198 ZAOIAPRZEKPVDC-FQEVSTJZSA-N 413.457 0.955 30 20 HCED N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)cc1 1302995005 UKQZCRZKPVPCQA-QZTJIDSGSA-N 410.434 0.873 30 20 HCED CCOc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cc(C#N)cn3)CC2)cc1 1307334152 VHJCSJWNTIOUJS-UHFFFAOYSA-N 403.464 0.687 30 20 HCED O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCN1C(=O)COc2ccccc21 1318092843 GNRGEFLJTFDGGD-UHFFFAOYSA-N 414.443 0.267 30 20 HCED COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1=O 1504914552 VNBXGISLWZOZHG-UHFFFAOYSA-N 421.465 0.289 30 20 HCED C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 1556619628 QOVWYIIJHYLYMP-MAZHCROVSA-N 411.505 0.403 30 20 HCED N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](CO)CN3CCOCC3)CC2=O)cc1Cl 1617388485 UQHHFABDFKFQPM-LSDHHAIUSA-N 406.870 0.374 30 20 HCED CN(C)C(=O)O[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1641031548 RZNHOPJOWGLUIP-CYBMUJFWSA-N 408.480 0.804 30 20 HCED CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1694786628 OPOCZFWUFZJEHW-HNNXBMFYSA-N 402.480 0.576 30 20 HCED COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(C)n1 1712454522 OLYJWXMDYIPYKW-CQSZACIVSA-N 407.500 0.328 30 20 HCED COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1712455094 PKOHXYIXNAIEJD-CQSZACIVSA-N 415.502 0.990 30 20 HCED C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1741805511 XCACETAOAMJLGL-GJZGRUSLSA-N 408.528 0.964 30 20 HCED O=C(C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1)c1ccco1 1779061049 OPUJTYRBHZIDNL-QFIPXVFZSA-N 414.458 0.991 30 20 HCED O=C(C#CC1(O)CCCCC1)N1CC[C@@]2(C1)CN(C(=O)CN1CCCC1)CCO2 1779062233 JTNJTRSLHZFRBU-JOCHJYFZSA-N 403.523 0.611 30 20 HCED O=C(O)CSCC(=O)N1CCO[C@]2(CCN(C(=O)C/N=C/c3ccco3)C2)C1 1779137813 IQSCUFIITOADQX-POKCZJJJSA-N 409.464 0.346 30 20 HCED 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30 20 HCED C[C@H](S)C(=O)N1CCO[C@@]2(CCN(C(=O)c3cc4n(n3)CCCN(C)C4)C2)C1 1782564103 HDWOECOQVZSEAJ-IFXJQAMLSA-N 407.540 0.480 30 20 HCED C=C1CC(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@H](C)[C@H]4SC(=N)NC4=O)C[C@@H]32)C1 1783461142 ADDDNTXTLPEXLQ-ZLTXHLNPSA-N 420.535 0.735 30 20 HCED C=CC[C@@H](C(=C)C)C(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)C=CC3=O)C2)C1 1784114916 DFQWFMOKDRBGMR-KKSFZXQISA-N 401.463 0.510 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)c3ccccn3)C2)C1 1784648150 NAZUGHMNXNAPCM-ZRTRKKQLSA-N 412.490 0.873 30 20 HCED C#CCO[C@@H](C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3nc(C)c(C)nc3O)[C@H]2C1 1785572405 ODCDKGXVUBRPQD-QAETUUGQSA-N 416.478 0.431 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3(O)CCCCC3)C[C@@H]21)c1ncccn1 1786108946 HRQXIIITNKJBTH-BZSNNMDCSA-N 412.490 0.769 30 20 HCED Cc1cc(C#N)cc(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CN4CCNC4=N)[C@H]3C2)c1 1786843659 CQXBRLONFFBZHX-WDSOQIARSA-N 424.505 0.300 30 20 HCED C[C@@H](C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C(C)(C)NCCC#N)[C@H]2C1)n1cncn1 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PXIFWSJKNFNBRM-FQEVSTJZSA-N 411.418 0.371 30 20 HCED C=C[C@H](O)C(C)(C)C(=O)N1CCC(N2CCC(NC(=O)C(=O)N(C)C)CC2)CC1 1834633785 WFXVBVZFBBLSLB-KRWDZBQOSA-N 408.543 0.219 30 20 HCED Cc1cc(C(N)=O)cc(C)c1C(=O)N1CCOC[C@]2(CN(C(=O)CC#N)CCO2)C1 1834761292 WHHDBLNYSUYUMI-NRFANRHFSA-N 414.462 0.386 30 20 HCED Cc1cc(C(=O)N2CCOC[C@@]3(CN(C(=O)CC#N)CCO3)C2)cc(C)c1C(=O)O 1834765136 KTJHNHOXSDCHPX-OAQYLSRUSA-N 415.446 0.985 30 20 HCED C#CCO[C@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)Cc3ccc(F)cc3)CCO2)C1 1835044806 BFNREBYIRKJSSD-VGOFRKELSA-N 418.465 0.863 30 20 HCED CC(C)(C#N)C(=O)N1CCOC[C@]2(CN(C(=O)C[C@H](N)c3cccnc3)CCO2)C1 1835823810 BOZXXKSGUMURIQ-UWJYYQICSA-N 415.494 0.478 30 20 HCED C#CCO[C@H](C)C(=O)N1CCC(OC2CCN(C(=O)[C@H](C)NC(=O)C=C)CC2)CC1 1836858900 CJTHIGMLWZHEKD-DLBZAZTESA-N 419.522 0.714 30 20 HCED C[C@H](C(=O)N1CCO[C@]2(COCCN(C(=O)C3(C#N)CC3)C2)C1)N1C[C@H]2C[C@H]2C1 1837284328 UMQKNTMWKXSJHJ-PZTGFMGMSA-N 402.495 0.087 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CCO[C@]2(COCCN(C(=O)c3ccnn3CC)C2)C1 1837394626 FIOXHMGXLUTEOP-UTKZUKDTSA-N 420.510 0.546 30 20 HCED O=C(/C=N/O[C@@H]1CCCCO1)N1CCO[C@]2(COCCN(C(=O)c3ccon3)C2)C1 1837526817 GQPZKDVLZGBXQT-KRIYTASASA-N 422.438 0.274 30 20 HCED O=C(C/N=C/c1ccco1)N1CCO[C@@]2(COCCN(C(=O)c3cc(F)c[nH]3)C2)C1 1837564994 HMNKUHJMORLGQJ-WNBNNUDTSA-N 418.425 0.936 30 20 HCED Cc1cc(C(=O)N2CCO[C@]3(COCCN(C(=O)Cc4ccc(C#N)cc4)C3)C2)n[nH]1 1838653440 JCWOOPKWRVOXHU-QFIPXVFZSA-N 423.473 0.903 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CCO[C@@]2(COCCN(C(=O)Cc3cccnc3)C2)C1 1839224176 GMYSDPRSOUKXCC-DYESRHJHSA-N 418.494 0.881 30 20 HCED C=C(C)CC(C)(C)C(=O)N1CCOC[C@@]2(CN(C(=O)CCNC(C)=O)CCO2)C1 1839884655 ANDKYRBYCOQRTJ-OAQYLSRUSA-N 409.527 0.961 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(COCCN(C(=O)Cc3ncccn3)C2)C1 1839888342 HHFDDNKQCVQETL-SFHVURJKSA-N 410.421 0.687 30 20 HCED C[C@@H](S)C(=O)N1CCO[C@]2(COCCN(C(=O)c3cnn4cccnc34)C2)C1 1840161055 CUUSDTNKUZOYAE-FZKQIMNGSA-N 405.480 0.118 30 20 HCED C#CCCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OC)cn3)C2)C1 1840167504 UMQAKZUVFZXMSD-FQEVSTJZSA-N 402.451 0.359 30 20 HCED CCn1nc(C(=O)N2CCOC[C@@]3(C2)CN(C(=O)C2(C#N)CCC2)CCO3)cc1C 1840814532 OGWKUFZGCBSOAR-OAQYLSRUSA-N 415.494 0.975 30 20 HCED CCC[C@H](NC(C)=O)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CCC1)CCO2 1840816192 QJSODLSRNMGYOJ-UWJYYQICSA-N 420.510 0.441 30 20 HCED C#CCCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cnc(OCF)cn3)C2)C1 1840841367 UMHVQGRIBGEWNW-IBGZPJMESA-N 406.414 0.266 30 20 HCED C#CCCC(=O)N1CCO[C@]2(COCCN(C(=O)c3ccc4c(c3)CC(=O)N4)C2)C1 1840842299 ANBARVJDSWJBBD-JOCHJYFZSA-N 411.458 0.665 30 20 HCED CC(C)(NCCC#N)C(=O)N1CC2(CCCN2C(=O)COC(=O)C(F)(F)F)C1 1844206231 PKSHYUOUDTYLEU-UHFFFAOYSA-N 404.389 0.577 30 20 HCED CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)C#CC(=O)O)C1 1846197192 FBBWPDGZOOBNHU-ZDUSSCGKSA-N 419.434 0.204 30 20 HCED C[C@H]1[C@H](C(=O)N2CC3(CCCN3C(=O)C#CC(=O)O)C2)CCN1C(=O)OC(C)(C)C 1846197466 RIWBVWBNGKJVJT-LSDHHAIUSA-N 419.478 0.923 30 20 HCED C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(S(=O)(=O)N(C)C)CC1 27434293 KTVZNTURRXEDCB-HNNXBMFYSA-N 411.503 0.885 30 20 HCED C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 29254498 MHPVCHDYHBKDMD-UKRRQHHQSA-N 400.483 0.658 30 20 HCED CN1CCN(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)CC1 30696973 SJEQBNAOZDGMIY-UHFFFAOYSA-N 405.524 0.127 30 20 HCED CCN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)[C@H]1CCS(=O)(=O)C1 110086125 HKGOGBUIYKQBHA-KXBFYZLASA-N 418.475 0.361 30 20 HCED COCCN(CCC#N)S(=O)(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 409505761 YXEXXDIBTSUPHJ-UHFFFAOYSA-N 424.523 0.836 30 20 HCED CCc1nsc(N2CCCN(S(=O)(=O)N(CCC#N)CCOC)CC2)n1 410143071 AVUZGFHSVXYROS-UHFFFAOYSA-N 402.546 0.719 30 20 HCED C[C@@H](CN1CCN(C)CC1)Nc1nc(N[C@H](C)CN2CCN(C)CC2)ccc1C#N 436394978 GUTUDEFOOPJRIL-MOPGFXCFSA-N 414.602 1.049 30 20 HCED N#Cc1cccnc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 439745294 MRDJCOBWSCUIPU-UHFFFAOYSA-N 404.430 0.977 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)[C@H](C)C[S@](C)=O)cc1 442021809 IVMXTHODRLXQAH-SRGMZFCMSA-N 415.537 0.657 30 20 HCED C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 442458148 GXASKMXPYVRNJO-INIZCTEOSA-N 424.461 0.586 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc3c(c2)O[C@H](CC)C(=O)N3)C1=O 465353628 DRQVITFCQNCHLY-BXUZGUMPSA-N 414.418 0.950 30 20 HCED N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@@]4(CCOC4)C3)n2)c(Cl)c1 469634940 WXJBBCUMTJHVFA-IBGZPJMESA-N 415.837 1.354 30 20 HCED N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)ccc21 471052677 JDMUVHFAIGAAEG-UHFFFAOYSA-N 418.475 0.465 30 20 HCED CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 472052954 GMVAIKJBZCWTIB-KRWDZBQOSA-N 416.574 0.705 30 20 HCED COc1nn(C)cc1NC(=O)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 475276210 IOYJCDMDIYNORT-UHFFFAOYSA-N 422.449 0.756 30 20 HCED CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)CS(C)(=O)=O 482146791 HLJRJZRUBKLRQW-OLZOCXBDSA-N 401.510 0.507 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc3c(cc2F)CCC(=O)N3)CC1 491105268 OGDCCOMUTPATSE-UHFFFAOYSA-N 417.441 0.095 30 20 HCED C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](C)N1CCOCC1 491426534 BSIZGMTWHHZCKD-GJZGRUSLSA-N 411.466 0.362 30 20 HCED N#Cc1cccc(-c2cnc(CNC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)[nH]2)c1 493912134 WDWNJTMCICCGPQ-RGCFKVTRSA-N 405.414 0.727 30 20 HCED CN(C)S(=O)(=O)CCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 498045141 GGPSBSYEOPWNJN-UHFFFAOYSA-N 407.452 0.736 30 20 HCED COCC1(C#N)CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)CC1 501422923 CWMSTHRARUYLFU-UHFFFAOYSA-N 409.464 0.816 30 20 HCED CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)cc1Cl 503501928 DOCTVIHBRUFGPZ-LLVKDONJSA-N 405.885 0.135 30 20 HCED C=CCCc1ccccc1NC(=O)C(=O)N[C@H](C)C(=O)NC[C@@H]1CCS(=O)(=O)C1 504024101 UKHPLXUGUVKDGV-CABCVRRESA-N 421.519 0.799 30 20 HCED Cc1cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)nn1CCC#N 504101278 YPUDVVFLGBQKQB-UHFFFAOYSA-N 418.479 0.842 30 20 HCED C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 504607102 OGICVFQHPWVPCR-GOSISDBHSA-N 411.462 0.865 30 20 HCED C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)C(=O)C1 508885551 QRSNJHVNOBXWFS-AWEZNQCLSA-N 404.496 0.928 30 20 HCED C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 508912829 MFGOVUWFRWXLSS-CQSZACIVSA-N 404.858 0.738 30 20 HCED CCN(CCCNC(=O)N1C[C@H](C#N)[C@@]2(C1)C(=O)Nc1ccccc12)S(C)(=O)=O 513983761 TYKAGFHELJKGDC-IFXJQAMLSA-N 419.507 0.713 30 20 HCED C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H](C)N1CCOCC1 514306709 IYRPPECIEMXBHV-HOTGVXAUSA-N 417.485 0.571 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 514984559 GIYIHLDGRFLFLV-UHFFFAOYSA-N 416.459 0.851 30 20 HCED COc1ccc(CC(=O)N2CCO[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 517994082 GVAUMYXLXUFRBK-HNNXBMFYSA-N 409.464 0.010 30 20 HCED CS(=O)(=O)c1nc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c2ccccn12 520705492 HIGHQMYLONWFLB-UHFFFAOYSA-N 410.459 0.967 30 20 HCED C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1 524575256 KWFYOQQENCHRDW-HZPDHXFCSA-N 405.524 0.954 30 20 HCED CCn1cnc2c(c1=O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 530298591 LUTWCEJDDXTLNN-CYBMUJFWSA-N 415.475 0.387 30 20 HCED CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CC#N)CC(=O)OC)c(OC)c1 536384544 ZAZYYJVPNANTLP-UHFFFAOYSA-N 405.454 0.144 30 20 HCED CNC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 537251374 UQJQADDBMUNETB-LJQANCHMSA-N 401.486 0.993 30 20 HCED C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 543863658 SBAHHWBJBZRMQJ-UHFFFAOYSA-N 420.472 0.331 30 20 HCED C=CCOC[C@@H]1NC(=O)N(c2cccc(S(=O)(=O)Nc3ncccn3)c2)C1=O 553096723 BAOWTEBOSGDTLS-AWEZNQCLSA-N 403.420 0.905 30 20 HCED N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)C2=O)cc1 554694483 KKLAJHSOQLFWKN-YRXWBPOGSA-N 410.474 0.849 30 20 HCED N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCCCNc3ccccn3)C2=O)cc1 556242149 QMOSQINUIIBFQZ-GOSISDBHSA-N 420.473 0.789 30 20 HCED N#Cc1ncn(CCNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1 560754951 UULCJSAAMJLULP-ZDUSSCGKSA-N 402.842 0.847 30 20 HCED C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)c2ccccc2)CC1 560976356 QZUVOFNBUQFFLD-KRWDZBQOSA-N 400.523 0.915 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)COc2ccc(F)cc2)cc1 571250022 SZNKJYILKSPAQH-HNNXBMFYSA-N 407.423 0.532 30 20 HCED Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCN(c3cnccc3C#N)CC2)cn1 571472808 DBBMUHWMMZIGAU-APWZRJJASA-N 408.466 0.538 30 20 HCED CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 573500705 ITYDGFXGVFGGEQ-UHFFFAOYSA-N 420.473 0.377 30 20 HCED CN(CC(=O)NCc1ccccc1S(N)(=O)=O)S(=O)(=O)c1ccc(C#N)cc1 575148435 HJNAOOKHVLZKMU-UHFFFAOYSA-N 422.488 0.143 30 20 HCED COC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCO1 579747597 VJEOBERCPZDAGC-CVEARBPZSA-N 404.442 0.656 30 20 HCED CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N(C)CCOCc1ccc(C#N)cc1 589033042 XIXOJFLLRZAIDM-UHFFFAOYSA-N 413.434 1.082 30 20 HCED C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 610388115 BYRMYAFIZGKRSE-BNDVLBTASA-N 423.473 0.589 30 20 HCED N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 610574495 ZLLBYOHKJZAKDF-UHFFFAOYSA-N 408.483 0.054 30 20 HCED N#CCCN1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 611173598 BXUKNPKBHXVMCI-UHFFFAOYSA-N 416.501 0.440 30 20 HCED C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC#Cc3ccccc3)CC2)C[C@H](C)O1 612309743 HQPROPBCGMNBMG-ROUUACIJSA-N 420.535 0.719 30 20 HCED C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 684789019 AFBPIKJBPZLFQT-WMLDXEAASA-N 400.435 0.774 30 20 HCED N#Cc1ccc(CNC(=O)COC(=O)CCOc2ccc(S(N)(=O)=O)cc2)cc1 726064763 FIXVAYLGIKSRAR-UHFFFAOYSA-N 417.443 0.834 30 20 HCED COc1cccc([C@H](C#N)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1OC 729428289 BRDBJIAJMVFMGY-AWEZNQCLSA-N 402.432 0.882 30 20 HCED N#CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 731211200 BAZZLJYFGAZQFY-UHFFFAOYSA-N 404.448 0.787 30 20 HCED N#CCCN(CCN1CCOCC1)C(=O)Nc1ccccc1CN1C(=O)CNC1=O 734512272 FGIWGSAARBYKMJ-UHFFFAOYSA-N 414.466 0.818 30 20 HCED C[C@@H](CC(=O)NCCC(=O)N=c1cc[nH]cc1)/N=C1/NS(=O)(=O)c2ccccc21 742606908 LAJZUUVDNAAWOY-ZDUSSCGKSA-N 415.475 0.466 30 20 HCED COC[C@](C)(O)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 745316437 OSTUYSMKQWGSIO-IBGZPJMESA-N 418.406 0.395 30 20 HCED Cc1c(C(=O)OCC(=O)Nc2sccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 748420679 UFQPPXWVLIYDMO-UHFFFAOYSA-N 413.415 0.669 30 20 HCED C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cccc(OC)c2OC)c1=O 758053529 UOKQUYOAXZQWMR-UHFFFAOYSA-N 409.467 0.365 30 20 HCED CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758585608 RKIZCVBKIJSLFT-UHFFFAOYSA-N 408.487 0.020 30 20 HCED C=CCn1c(-c2cnccn2)nn(CN2CCCN(S(C)(=O)=O)CC2)c1=S 764882710 OVFNAIZBCLVXMH-UHFFFAOYSA-N 409.541 0.982 30 20 HCED N#C[C@H](C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1ccccn1 766275053 DFNSTOHNIBKNKJ-OAHLLOKOSA-N 407.434 0.648 30 20 HCED COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H](C)Sc1nnnn1C1CC1 766986121 BOGRPUSOPSMUFH-SECBINFHSA-N 408.465 0.874 30 20 HCED O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)CN1C(=O)c2ccccc2C1=O 767345611 SZKQLIGMAOHGBB-ISLYRVAYSA-N 411.370 0.311 30 20 HCED C[C@@H](O)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 768983978 CEUVLCUICSRBKR-IQQDNESTSA-N 410.496 0.715 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H](C)c1nn[nH]n1 774001656 RITINQLOCUFCHL-JSGCOSHPSA-N 419.511 0.915 30 20 HCED C[C@H](CC(=O)OCCCS(=O)(=O)N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 774521840 FOECAWVJECZIGL-GFCCVEGCSA-N 417.509 0.328 30 20 HCED COc1ncc(/C=C\C(=O)NCC#CCNC(=O)/C=C\c2cnc(OC)nc2)cn1 775893276 LPPYCEQSPXMCNP-SFECMWDFSA-N 408.418 0.246 30 20 HCED CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NOC[C@@H]2CCOC2)c1 788345888 XAOCGZHBHIDWJR-QIAIEURZSA-N 424.479 0.522 30 20 HCED COCCN1C[C@@H](C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1=O 790869719 VKVDVMHALRJJCD-NSHDSACASA-N 419.381 0.877 30 20 HCED CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccc21 791178555 NQRSIPAGCLNABR-UHFFFAOYSA-N 404.430 0.939 30 20 HCED C[C@H](O)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 793871476 GPPXUJDPCXOPMF-GJZGRUSLSA-N 408.524 0.419 30 20 HCED CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3cnccn3)CC2)[C@@H](C#N)C1 796485979 MKDUFKDLBMKKPD-INIZCTEOSA-N 415.498 0.570 30 20 HCED C=CCN1CC[C@H](OC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)C1=O 798633040 QFCJRCDOVYLKAD-DLBZAZTESA-N 412.446 0.866 30 20 HCED C#CCC[C@H](O)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 799284238 BRWYRQNZNJUDNK-INIZCTEOSA-N 407.492 0.690 30 20 HCED CNS(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 803935401 OVBCNJJAGMRPEG-CYBMUJFWSA-N 400.501 0.437 30 20 HCED N#Cc1ncn(CCNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 804619941 GSSVYSYUNKOGCM-WHWKNOJMSA-N 407.434 0.069 30 20 HCED CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)C1 807110427 UBARMILCGAIQSO-OMUIBUHPSA-N 420.470 0.565 30 20 HCED CN(Cc1cccc(NC(=O)C(=O)NCC(=O)NCC#N)c1)C(=O)OC(C)(C)C 807401592 RYXRPZQCAXSFTB-UHFFFAOYSA-N 403.439 0.748 30 20 HCED C#C[C@@H](NC(=O)C(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 809310381 BPOLNQZEIMNMQU-IAGOWNOFSA-N 422.526 0.295 30 20 HCED N#Cc1cncc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 810042252 YHMHJPWTRPKURM-UHFFFAOYSA-N 417.472 0.409 30 20 HCED N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)COc2cccc(F)c2)c1 810142890 WCOUXUMWXPPDNM-OAHLLOKOSA-N 407.423 0.532 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)[C@@]2(COC)CCN(C(=O)OC(C)(C)C)C2)CC1 810344280 OBHPGRUMGJYDRP-NRFANRHFSA-N 422.526 0.154 30 20 HCED CNC(=O)OC[C@@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 813726793 HFJYGRYFYHDCNZ-ZFWWWQNUSA-N 408.480 0.962 30 20 HCED CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N(CC(=O)NCCOC)C1=O 914549292 BFIUVXHMCWNBEE-AWEZNQCLSA-N 408.480 0.525 30 20 HCED COc1cc(C=NN[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCOCC1 916238493 ACWZGEMNHQTPTB-HNNXBMFYSA-N 411.480 0.043 30 20 HCED C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1C(=O)CC(C)(C)C1=O 1006384480 PETOLBOPEPWETA-SUJAAXHWSA-N 403.479 0.611 30 20 HCED CCc1nc(CN2CCC(CNC(=O)Cn3cc(C#N)c(O)nc3=O)CC2)cs1 1136785902 MJIRBVSGTBHFNQ-UHFFFAOYSA-N 416.507 0.868 30 20 HCED C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)nc1-c1cnn(C)c1 1156926489 PTDSIKGLAKJNBB-GFCCVEGCSA-N 413.463 0.998 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC(CO)(CO)C3)CC2)cc1 1168947036 KVTIZZZRVBUSPK-UHFFFAOYSA-N 407.492 0.209 30 20 HCED COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2OC)CC1=O 1193730534 QRHDNHMLQIMTQR-HNNXBMFYSA-N 410.496 0.024 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)CCOC1 1296664262 MGSKUMURZADGQT-MBOZVWFJSA-N 420.514 0.380 30 20 HCED NC(=O)[C@H]1CC(C(=O)N=C2NS(=O)(=O)c3ccccc32)=NN1c1ccc(F)cc1 1317913029 CRCGICJKXAEBCA-CQSZACIVSA-N 415.406 0.511 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(CO)n3C3CC3)CC2)o1 1320435603 VUSOSUFCEKSNNA-UHFFFAOYSA-N 403.468 0.714 30 20 HCED C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1545096734 PTGMTZPVKGULBG-FUHWJXTLSA-N 414.514 0.908 30 20 HCED N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nccs2)CCO1 1555992777 BQSMJYAWDPATKY-KGLIPLIRSA-N 422.536 0.998 30 20 HCED N#Cc1cn(CCC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(=O)nc1O 1566358696 KBHKQOMVOXCKAI-SJLPKXTDSA-N 411.462 0.210 30 20 HCED CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nnc2n1CCC2 1613594457 JWJSQSBMACUIAZ-CQSZACIVSA-N 413.486 0.511 30 20 HCED N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC(=O)NCC(F)F)c1 1620348172 NFZZKSRDHVXKKP-UHFFFAOYSA-N 417.420 0.900 30 20 HCED Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCN(c2ccsc2C#N)CC1 1641745281 QCUBIQVJEXTIGG-UHFFFAOYSA-N 409.493 0.852 30 20 HCED N#Cc1cc(S(=O)(=O)NC[C@H](O)CN2CCCC2=O)ccc1Br 1667472841 JKAKCWNLXNKNTG-NSHDSACASA-N 402.270 0.582 30 20 HCED CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCC1 1695921091 SUWZIMPNYJYRSV-AWEZNQCLSA-N 403.487 0.451 30 20 HCED N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C1 1698484379 QRKAQMFBXPMESV-CJNGLKHVSA-N 413.475 0.164 30 20 HCED CCCNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709831901 WCYZDLDHWJJJCF-QGZVFWFLSA-N 411.514 0.771 30 20 HCED C=CCC(F)(F)C(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](C)NC(=O)NCC)C2)C1 1778958625 VGBFBSISXDXJNW-DYVFJYSZSA-N 402.442 0.735 30 20 HCED O=C(/C=N/N1CCCCC1)N1CC[C@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 1779016072 LXTPOVQUWUUCBG-DZSVRRGNSA-N 417.466 0.001 30 20 HCED Cc1ncncc1C(=O)N1CCO[C@@]2(CCN(C(=O)/C=N/N3CCCCC3)C2)C1 1779020523 QZJXUOLBHWOQDU-NVAXRVGSSA-N 400.483 0.700 30 20 HCED C[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCN(C(=O)C#CC3(O)CCCCC3)C2)C1 1779061243 UGVCSVNTEUFQSB-KKSFZXQISA-N 405.495 0.026 30 20 HCED CC(C)(C)NCC(=O)N1CCO[C@]2(CCN(C(=O)/C=N/O[C@@H]3CCCCO3)C2)C1 1779103747 AHFCTEOHLVFWDH-GXZAEXMCSA-N 410.515 0.733 30 20 HCED Cc1cc(CC(=O)N2CC[C@@]3(CN(C(=O)/C=N/O[C@@H]4CCCCO4)CCO3)C2)n[nH]1 1779159423 JFECIYLCRZLXAN-DSLRRYSGSA-N 419.482 0.620 30 20 HCED COc1ccc(CC(=O)N2CC[C@]3(C2)CN(C(=O)Cn2nccn2)CCO3)c(C#N)c1 1781174531 PARBEOBOOMEWMY-NRFANRHFSA-N 424.461 0.231 30 20 HCED CC(C)=NO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)CCc3ccc(O)nn3)CCO2)C1 1781397674 FTMRJCXJDPGUTB-YWZLYKJASA-N 419.482 0.746 30 20 HCED CC(C)=NO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)C[C@@](C)(O)CC(=O)O)CCO2)C1 1781399665 HDUDXWKVAASANG-NIKGAXFTSA-N 413.471 0.233 30 20 HCED N#Cc1ccc(F)c(C(=O)N2CC[C@@]3(CN(C(=O)CN4CCCC4=O)CCO3)C2)c1 1781961610 JNHAEPYXCPAQEP-OAQYLSRUSA-N 414.437 0.763 30 20 HCED C#CCO[C@H](C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)CCc2cnccn2)C1 1782574058 RSXTXWZHIABHMU-SFGWALBWSA-N 414.506 0.961 30 20 HCED C=CC[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cn4[nH]cnc(=O)c4c3C)CCO2)C1 1783109374 YUVACVBGCOEQRE-SZNDQCEHSA-N 413.478 0.987 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CN)C2 1783268116 FETMFUNSUDUBAR-WHSLLNHNSA-N 422.526 0.376 30 20 HCED O=C(CN1CCCC1)NC[C@@H]1OC[C@@H]2CCN(C(=O)/C=N/O[C@H]3CCCCO3)C[C@@H]21 1783587746 DTWWSDKXYTZAIN-HQPNSAMISA-N 422.526 0.591 30 20 HCED COc1ccc(F)cc1CC(=O)N1CC[C@@]2(CN(C(=O)C#CC(=O)O)CCO2)C1 1784087796 QGNVLKWQAVCRST-FQEVSTJZSA-N 404.394 0.295 30 20 HCED C#CCO[C@@H](C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)[C@@H](C)Nc3nccs3)C[C@@H]21 1784482888 UKYSEDXRZPOOOI-XAJHFOFHSA-N 420.535 0.962 30 20 HCED N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(C(=O)c1cc[n+]([O-])cc1)CCO2 1785380225 QNFOHYYPLUCQHX-QFIPXVFZSA-N 422.441 0.714 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc[n+]([O-])c3)[C@H]2C1 1785493135 CHMZAXIRXXVGMW-XLAORIBOSA-N 403.479 0.486 30 20 HCED C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CN(C(=O)CCOC)CCO2)C1 1785574171 AEFIWCVRYZJVAQ-IIBYNOLFSA-N 423.510 0.769 30 20 HCED C=C[C@@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3nccnc3C)C[C@@H]21 1788572822 LHRZXULTKFSTGW-LUKYLMHMSA-N 402.495 0.951 30 20 HCED Cn1nncc1C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)C/N=C/c3ccco3)[C@H]2C1 1788676793 JXLCKBNOQSMANB-PPVMDSBWSA-N 400.439 0.121 30 20 HCED C=CCNC(=O)/C=C\C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3ccc(CO)o3)[C@H]2C1 1788898797 JOMPCBAPDUIIAR-CRQUZRIGSA-N 417.462 0.224 30 20 HCED O=C(NC[C@@H]1OC[C@@H]2CCN(C(=O)C#CC3CC3)C[C@@H]21)[C@H]1CC[C@H]2CCC(=O)N2C1 1789766478 QUDKGWKEWUEVEA-HVTWWXFQSA-N 413.518 0.781 30 20 HCED 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Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3ncnn3CC(F)F)CC2)o1 490247150 NTIOWWJZHAOSKA-UHFFFAOYSA-N 408.413 0.492 30 20 HCED CCNS(=O)(=O)c1ccc(C)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 499332718 ZGIGSWMJKKVHIA-UHFFFAOYSA-N 408.524 0.981 30 20 HCED CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 506446395 KOHGMNVZKKYFRS-NSHDSACASA-N 405.411 0.467 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1CC 512746917 PGKSKXAOUFQTJO-UHFFFAOYSA-N 403.508 0.192 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2OC(F)F)c(=O)n1C 513640656 QMOQZCTYROAVMN-UHFFFAOYSA-N 421.425 0.862 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccnc2OCC(F)(F)F)C1=O 522972343 MYXYNCNZANUPGZ-UHFFFAOYSA-N 400.313 0.616 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1CC(N)=O 524282199 VPZZYYNYOZDKBS-UHFFFAOYSA-N 418.906 0.468 30 20 HCED N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](O)COc3ccccc3)n2)cc1 531160027 HOURKGOXUNXFTJ-QGZVFWFLSA-N 420.429 0.693 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCOc1ccc2c(c1)OCO2 534096987 SBBREKJKDICSSW-UHFFFAOYSA-N 400.439 0.652 30 20 HCED CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c(CCCNC)c2C#N)cc1 546156010 KYAUJICFALDTQN-UHFFFAOYSA-N 404.496 0.913 30 20 HCED C[C@@]1(C[C@@H]2CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)NC(=O)NC1=O 553451997 DFYPXHFVZGLRAW-YWZLYKJASA-N 407.434 0.919 30 20 HCED N#Cc1ncn(CCNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 554291443 VBQGJVDFOKSJKQ-CQSZACIVSA-N 421.458 0.441 30 20 HCED C=CCCCNC(=O)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 554728661 XUQWBUJTDGWHHY-KRWDZBQOSA-N 416.526 0.451 30 20 HCED N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)ccc1Br 556009078 PJPVSDZDRHNRKC-NSHDSACASA-N 400.254 0.953 30 20 HCED N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(c4ccccn4)CC3)CC2)nc1 556240459 DBAOKVSSEIHIQE-UHFFFAOYSA-N 419.489 0.782 30 20 HCED CC(=O)NCCN(Cc1ccc(C)s1)C(=O)C(=O)Nc1ccn(CCC#N)n1 558997778 MLLCWJXSIYUDPW-UHFFFAOYSA-N 402.480 1.270 30 20 HCED CC(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 561788067 MWWLKAUFGWIQSM-DOTOQJQBSA-N 415.469 0.908 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2nccn2C)CC1 562760627 AXKZRESRNCAUDW-AWEZNQCLSA-N 416.507 0.744 30 20 HCED C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 568120226 RMIDDBCYENHKGX-SJLPKXTDSA-N 401.511 0.547 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)C1=O 575203012 JSFNDUUNMMZMBN-MRXNPFEDSA-N 420.491 0.311 30 20 HCED CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 589069445 SVMJRVUPMLKJPZ-ZIAGYGMSSA-N 414.466 0.103 30 20 HCED Cc1cc(F)ccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CC(N)=O)c1=O 589157156 NAHSTRYGMLRSEZ-UHFFFAOYSA-N 401.463 0.961 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1=O 603748186 DOCUHNFRBCRXSI-UHFFFAOYSA-N 412.362 0.550 30 20 HCED N#Cc1ccc(N2CCC(NC(=O)CCNS(=O)(=O)c3cccnc3)CC2)nc1 608968328 ROAPNRMDKAQQDT-UHFFFAOYSA-N 414.491 0.802 30 20 HCED N#Cc1ccnc(N2CCN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CC2)c1 609687156 NRUVSDHCHZCSFN-UHFFFAOYSA-N 418.454 0.772 30 20 HCED CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1CC(N)=O 727161493 ZRAZLNZBZNWVIR-UHFFFAOYSA-N 401.492 0.075 30 20 HCED C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCC(=O)c2ccccc2)c1 728094785 LREAVQMTKZCNJZ-UHFFFAOYSA-N 414.439 0.754 30 20 HCED CN(C)S(=O)(=O)N(C)CCOC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 731145341 SLLBCZDMURPUNX-UHFFFAOYSA-N 417.509 0.659 30 20 HCED CCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3c(C)cccc3C)c2=O)cn1 732561523 OSRQTHMSKCLANO-UHFFFAOYSA-N 407.499 0.981 30 20 HCED C#CCSCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 740076264 VIHIKFQWOGXJSF-HUUCEWRRSA-N 404.558 0.034 30 20 HCED CN1CCC(C#N)(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 742068488 OCJUAFXAIPKFTM-UHFFFAOYSA-N 403.508 0.952 30 20 HCED C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC[S@](C)=O)CC2)ccc1F 742184706 YZPVACZOZAFZFL-SANMLTNESA-N 417.528 0.426 30 20 HCED C=CCn1c(S)nnc1Cc1csc(NC(=O)CN(C)S(C)(=O)=O)n1 744320325 NUOQSAAWUUMMCI-UHFFFAOYSA-N 402.527 0.630 30 20 HCED C#CCNC(=O)[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 744873150 BMXYTQJNAAEUOU-LBPRGKRZSA-N 414.505 0.436 30 20 HCED C#CCNC(=O)c1ccccc1NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 747827969 PKIMDXDFPAHVEK-UHFFFAOYSA-N 405.414 0.556 30 20 HCED C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)c1 749212158 JRFZHCRBDUFFQF-OAHLLOKOSA-N 409.464 0.174 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)C1=O 753651577 JOKULCBXKTVYDH-UHFFFAOYSA-N 403.782 0.941 30 20 HCED N#Cc1c(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cccc1S(N)(=O)=O 755019689 LNPXLUNAHXQBHL-UHFFFAOYSA-N 401.448 0.747 30 20 HCED CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2cnc3c(c2)COCC3)C1 755533940 DSIZCKKZPFJKDS-BBRMVZONSA-N 415.450 0.968 30 20 HCED C#C[C@H](CCC)NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 760528514 CLSVCDQXCBMXDJ-HIFRSBDPSA-N 423.491 0.288 30 20 HCED C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 761160702 OAGCJLBSMXKCOD-CYBMUJFWSA-N 417.441 0.478 30 20 HCED N#Cc1cccc(OCCCOC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)c1 763917894 HIHIKZCTRMWFKF-CVEARBPZSA-N 406.460 0.906 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)o2)c(=O)n1CCOC 765145830 TUOPSUPSFDFTSW-UHFFFAOYSA-N 403.460 0.101 30 20 HCED Cc1cc(F)ccc1-n1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)nn1 767453593 LMFMVEPXIMGWPL-CYBMUJFWSA-N 405.411 0.294 30 20 HCED COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCNc2ccc(C#N)cn2)C1=O 771270673 TVYSDXCVLUTURG-OAQYLSRUSA-N 422.445 0.957 30 20 HCED C#C[C@@H](NC(=O)C(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC)[C@@H]1CCCO1 773791412 BPFWYUODLCTULI-OLZOCXBDSA-N 420.418 0.735 30 20 HCED C#C[C@@H](NC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCCO1 773799548 SMWKUAVVPLUNCZ-WBVHZDCISA-N 405.476 0.123 30 20 HCED CCOCCS(=O)(=O)NCC(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 778822564 QZKHYRMQNCHERR-MRXNPFEDSA-N 409.464 0.553 30 20 HCED C#CCN(C(=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1)[C@H]1CCS(=O)(=O)C1 783481627 QWMQOBBKAAVEGR-YOEHRIQHSA-N 419.503 0.802 30 20 HCED C#CCn1ccc(CN(CCOC)C(=O)C(=O)Nc2ccc(OC)nc2OC)n1 789788429 RIRCCVSKBAGACF-UHFFFAOYSA-N 401.423 0.542 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C(C)C 799272353 BKIHBZLFQDTSAJ-IBGZPJMESA-N 413.522 0.609 30 20 HCED CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1n[nH]c(C)c1C(=O)OCC 800931912 GDTVZSGGNDUCMR-UHFFFAOYSA-N 424.439 0.983 30 20 HCED C#Cc1cc(F)c(NC(=O)C(=O)N2CCN(Cc3nc(COC)no3)CC2)c(F)c1 802568797 MXLVZRBSTDARIH-UHFFFAOYSA-N 419.388 0.758 30 20 HCED C#C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)[C@@H]1CCCO1 808797279 KZIDEFPGZGYYOA-SJORKVTESA-N 405.476 0.140 30 20 HCED CCOC(=O)c1sc(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)nc1C 808825774 RTTLTUKZYYURDB-UHFFFAOYSA-N 416.463 0.739 30 20 HCED C#C[C@H](NC(=O)C(=O)N1CCCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCCO1 809313839 VKDVXPVETCNOEH-VQTJNVASSA-N 411.502 0.977 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCN3C(=O)CNC3=O)CC2)cc1 914619625 FGTDAZAIKWNRQX-UHFFFAOYSA-N 420.447 0.054 30 20 HCED C=CCn1c(S)nc2cc(C(=O)N(C)CC(=O)N3CCOCC3)ccc2c1=O 916746783 VGOPECBUWDLKPH-UHFFFAOYSA-N 402.476 0.802 30 20 HCED COCCNC(=O)[C@@H](C#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 916889158 JVROQUKHLBZJGD-VBQJREDUSA-N 423.491 0.570 30 20 HCED CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)CCc2c(C)nc(O)c(C#N)c2C)C1 919011275 ZFCIUQMEQZQATH-OAHLLOKOSA-N 402.451 0.879 30 20 HCED C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2cc(OC)cc(OC)c2)c1=O 919957746 YKUMQSWOCPAYRF-UHFFFAOYSA-N 402.451 0.650 30 20 HCED COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1ccc(O)nc1=O 925891027 MRYKMTCYQZZHTE-CYBMUJFWSA-N 400.391 0.836 30 20 HCED C=CCNC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCCC1 1115635493 FYANCAJWKANUGG-OCABDXPQSA-N 404.511 0.830 30 20 HCED CCN1CCN(CCc2noc([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)C(=O)C1=O 1116809597 UDVHZZBYYCJWMC-OAHLLOKOSA-N 422.445 0.695 30 20 HCED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1(C#N)CCOCC1)n2C 1318539400 AFRGDSMTNZYZNE-UHFFFAOYSA-N 419.507 0.945 30 20 HCED Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1344549917 QFWIJZXNCBVMCV-CRYYWNKWSA-N 420.516 0.539 30 20 HCED CC(=O)N1C[C@H]2CN(C(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]2C1 1455204576 NHUIVBQDUQOXQM-YUELXQCFSA-N 404.492 0.440 30 20 HCED Cc1nc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)sc1Br 1475510589 XCTHVMXJSDCAIU-UHFFFAOYSA-N 420.270 0.327 30 20 HCED N#Cc1ccc(CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1477753595 OHYWJGDXMVONSJ-UHFFFAOYSA-N 407.478 0.929 30 20 HCED C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508406152 KCFLOAUCMZRBNF-GJZGRUSLSA-N 423.543 0.391 30 20 HCED CO[C@]1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCOC1 1517924849 XWFBBDPKWXACGY-WWGRRREGSA-N 400.505 0.290 30 20 HCED CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@]1(C(N)=O)CCOC1 1639247568 PGYCXIJIQALOHV-MRXNPFEDSA-N 412.240 0.859 30 20 HCED Cc1ccc(S(=O)(=O)N2CCC[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1666022492 IILFAPBMQGDKII-HNNXBMFYSA-N 413.521 0.940 30 20 HCED CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1696954767 UNSIBPLHTLFEGS-UHFFFAOYSA-N 406.454 0.351 30 20 HCED 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N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 438781116 JUFFEZKKWFSZBO-INIZCTEOSA-N 420.451 0.030 30 20 HCED C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 439017728 INLRMFCWCYUWQI-KSSFIOAISA-N 418.519 0.901 30 20 HCED Cc1noc(CN2CCN(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)CC2)n1 462015191 PKNLPWOYVPXJMO-UHFFFAOYSA-N 407.438 1.489 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)CC2)c1C#N 473006257 XIWRDYLIFRGUQO-OAQYLSRUSA-N 421.461 0.617 30 20 HCED C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c1 474121241 VOQHOROUAYLSDA-HNNXBMFYSA-N 409.508 0.860 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)c2n[nH]c(CC)n2)cc1 476585739 ZLHOTTGRMBUHDT-GFCCVEGCSA-N 420.495 0.990 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](CO)OC[C@H]2C)cc1 484436914 VAKVBCZTWIGAFK-UKRRQHHQSA-N 411.480 0.040 30 20 HCED N#Cc1cccc(NCC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 495071066 WOPKMTWXKHVBBU-UHFFFAOYSA-N 403.420 0.973 30 20 HCED COCCn1nnc2c1CCN(C(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C2 499176279 MEOKONZCFDHDFK-LJQANCHMSA-N 408.462 0.872 30 20 HCED CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N(CC#N)CC#N)CC2=O)cc1 503656269 RXFUWATWHLCNBY-HNNXBMFYSA-N 417.491 0.946 30 20 HCED C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)N1CCOCC1 505509461 FAFDMRQEVHMHRT-MPGHIAIKSA-N 413.478 0.989 30 20 HCED C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C 505711049 RERJXRIQMBCXOI-UHFFFAOYSA-N 405.277 0.410 30 20 HCED CN(C[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)C1)S(C)(=O)=O 506695438 HIGLBSOLABHNJN-ZDUSSCGKSA-N 424.527 0.578 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cn1 507378528 GEDCVHNAUCEZHJ-UHFFFAOYSA-N 407.477 0.112 30 20 HCED C[C@](O)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CN1CCOCC1 508657567 PKAILXPDLLCCIK-RXVVDRJESA-N 415.494 0.436 30 20 HCED C=CCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508855841 IRBZXYWRICIYGA-DLBZAZTESA-N 406.531 0.979 30 20 HCED N#Cc1cccc(F)c1CC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 512717744 CHBAIJWLQRXXNM-UHFFFAOYSA-N 410.471 0.397 30 20 HCED CC[C@H](C)[C@@H](NC(=O)COc1ccc(C#N)cc1)C(=O)NCCN1CCOCC1 517693331 OESLHFRFSDVDQL-OXJNMPFZSA-N 402.495 0.916 30 20 HCED CC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 518926590 GDMACWSTUNZHFV-GOSISDBHSA-N 408.462 0.525 30 20 HCED CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1CC(N)=O 524281157 JFIUYNZQKNLPBD-JTQLQIEISA-N 405.426 0.792 30 20 HCED COC(=O)CN(CC#N)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 525495607 GYSVLJZBUAVPCY-UHFFFAOYSA-N 405.226 0.923 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 535024170 HMEDIZULDCJOHA-UHFFFAOYSA-N 407.434 0.526 30 20 HCED CC(C)n1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 537001926 MRCRZPSGCBFWLZ-NSHDSACASA-N 400.361 0.944 30 20 HCED C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC(C(=O)NCC)C2)cc1 538090864 IIOOGDXZWBGUNW-UHFFFAOYSA-N 408.480 0.026 30 20 HCED CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(N3CCCNC3=O)CC2)n1 539205945 OCLNNWPXSJXIKW-UHFFFAOYSA-N 401.471 0.855 30 20 HCED CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(CCC)c2)c(=O)n1CC(N)=O 547823175 ANXKKRIMFSBFGS-UHFFFAOYSA-N 412.515 0.377 30 20 HCED CN(c1ccc(OCC(=O)NCC(=O)NCC#N)cc1)S(=O)(=O)c1cccs1 553306944 PCKCWUHEGGHNCC-UHFFFAOYSA-N 422.488 0.708 30 20 HCED C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 553672294 OVKFPLMSPWDKHG-LJQANCHMSA-N 413.522 0.846 30 20 HCED CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 555834973 NVEBGSNPTPKYPA-UHFFFAOYSA-N 418.479 0.436 30 20 HCED CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(-n2cccn2)cc1 556218311 ZQODTAJTNMYUPA-UHFFFAOYSA-N 406.450 0.757 30 20 HCED CN1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1=O 558041423 OPXIGPSJKYLXHY-ZBFHGGJFSA-N 401.442 0.519 30 20 HCED C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](C)N2CCc3sccc3C2)C1=O 559963235 KUNZPUULXBPZKV-ZBFHGGJFSA-N 404.536 0.856 30 20 HCED Cc1cc(C)nc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 567317367 OFGWLMUASQOQTP-UHFFFAOYSA-N 414.491 0.592 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)N[C@@H]3CCCc4c3cnn4C)CC2)c1C#N 567926910 VEXAKYQUASHUFX-MRXNPFEDSA-N 410.482 0.176 30 20 HCED CN1CCO[C@H]2CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@@H]21 569011979 MAKPOIMCDCYJOO-IRXDYDNUSA-N 412.425 0.753 30 20 HCED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1CC(N)=O 573938961 OBMATYGJAQDJKY-UHFFFAOYSA-N 412.515 0.431 30 20 HCED CSc1nc(O)c(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)cc1C#N 577734521 YVPVFUVKPYSJTK-LBPRGKRZSA-N 413.525 0.771 30 20 HCED CCc1nc(CN(C(C)=O)[C@@H]2CCN(S(=O)(=O)c3cncc(C#N)c3)C2)no1 580380413 IIALFEAGUHXGGB-CQSZACIVSA-N 404.452 0.710 30 20 HCED Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3nn(C)c4ccccc34)CC2)c1C#N 588202330 KOYKWEZQZJVRNO-UHFFFAOYSA-N 420.477 0.452 30 20 HCED Cc1nsc(N2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 589652875 VSWSDBXYPHLYSA-UHFFFAOYSA-N 421.504 0.698 30 20 HCED N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 603834914 OHYLSSDZKWJXFM-UHFFFAOYSA-N 418.500 0.883 30 20 HCED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1C 603924507 KHSKNMCFNOHVSO-UHFFFAOYSA-N 407.442 0.771 30 20 HCED Cn1cc(CCCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 608860872 MJKHIAYUBBTOEJ-UHFFFAOYSA-N 416.507 0.940 30 20 HCED N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)cc2)c1N 609668054 DWLMLILOBZNZGN-SFHVURJKSA-N 409.494 0.462 30 20 HCED N#Cc1ccc(OCC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 609817181 OPFRVLXDMZDNED-UHFFFAOYSA-N 408.480 0.095 30 20 HCED CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 610126660 MAIPDIMBGHIAKV-GDBMZVCRSA-N 413.521 0.964 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)C1=O 623206659 PVUXEKJYCAITPD-INIZCTEOSA-N 414.462 0.925 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1=O 623229414 OMAVGLOHOJHBBV-LBPRGKRZSA-N 406.389 0.884 30 20 HCED C=CCc1ccc(OCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(OC)c1 732909954 JSFZOBBUKROWQE-HNNXBMFYSA-N 406.460 0.768 30 20 HCED C#CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 740737348 ALJKQPWJHFKNHD-UHFFFAOYSA-N 405.520 0.925 30 20 HCED C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(F)cc2F)CC1 741681942 MUAMJABCGDRABZ-GOSISDBHSA-N 406.433 0.426 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2(C)C)C1=O 742221849 FFEADHCKPPWNTG-UHFFFAOYSA-N 408.455 0.821 30 20 HCED C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742646562 PPMZSFOBWDOWGX-CABCVRRESA-N 407.540 0.256 30 20 HCED N#Cc1c[nH]c(C(=O)OCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 748226179 LHEVPHUHAVEZGC-GOSISDBHSA-N 424.413 0.554 30 20 HCED Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3ccc(C(N)=O)cc3)CC2)o1 753479287 XZNSUPLLQFNLLT-UHFFFAOYSA-N 411.418 0.388 30 20 HCED C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 755491009 BLSAHWZFVFWADI-FJGOLAJPSA-N 408.480 0.491 30 20 HCED COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(O[C@H](C)C(=O)OC)cc2)c1=O 758564744 ZPRXJPTVRDUDQI-CYBMUJFWSA-N 413.455 0.523 30 20 HCED CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 760039372 ZXSTVTRCFBADRJ-QEJZJMRPSA-N 422.507 0.289 30 20 HCED CNCCCc1[nH]nc(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1C#N 760309976 NWYPCAPWXUPRHI-OAQYLSRUSA-N 421.461 0.765 30 20 HCED CC[C@H](O)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 764285141 XJJNSAHVJUFAKE-FJGOLAJPSA-N 410.496 0.715 30 20 HCED C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NC[C@H]1CCCO1 767674310 DWYVCOJKYXFFLP-KCQAQPDRSA-N 409.464 0.452 30 20 HCED C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCO1 773785596 DXVWXBXQCZTXRP-IRXDYDNUSA-N 405.476 0.707 30 20 HCED C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1=O 778792697 MYJUPWUDHVOVNC-HNNXBMFYSA-N 410.386 0.574 30 20 HCED C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 780060497 LRGZOUQPZBSBDG-AWEZNQCLSA-N 410.434 0.358 30 20 HCED N#C[C@H](C(=O)c1cnc2[nH]nnc2c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 783070059 RGKLEKXSBSFUDH-OAHLLOKOSA-N 420.389 0.932 30 20 HCED Cc1csc([C@H](C#N)C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)n1 786357042 AICINNGBFLFWLB-ANZHMPLFSA-N 417.443 0.724 30 20 HCED C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCNc2ncccc2C#N)C[C@@H](C)O1 787777507 LQGGQXFCKIZVNB-JFIYKMOQSA-N 414.510 0.582 30 20 HCED COc1ccc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(Cl)n1 788337561 CDNRKKWGEDXQOW-UHFFFAOYSA-N 417.857 0.945 30 20 HCED NC(=O)c1cc2c(nc1O)CCCC2=NNc1ccc(S(=O)(=O)NC2CC2)cn1 788992038 QIFZRHIYCYYVPE-UHFFFAOYSA-N 416.463 0.874 30 20 HCED N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)CC1 793201304 KUOGPLAAAHVIBF-GOSISDBHSA-N 402.432 0.130 30 20 HCED C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)C1=O 799267677 SLAGHYNEFWEKML-CQSZACIVSA-N 404.398 0.966 30 20 HCED C=C[C@H](O)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 814544863 ORTIUMPGDYGRRR-ZENOOKHLSA-N 412.464 0.513 30 20 HCED COC(=O)N1CCN(c2ccc(NC(=O)C(=O)N3CC[C@](F)(C#N)C3)cn2)CC1 815615224 LOIUPBAYFLIAMR-SFHVURJKSA-N 404.402 0.373 30 20 HCED N#Cc1cccnc1NCCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 916392298 VLYLGCCMJWUFSZ-UHFFFAOYSA-N 421.461 0.437 30 20 HCED C[C@@H]1CN(C(=O)CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)CCO1 917405689 VHVHTVDDBRFHFB-NVXWUHKLSA-N 407.492 0.975 30 20 HCED C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCNC(=O)C1 1003035787 ZBABUDBEWGAOTH-SUFIHLRJSA-N 404.511 0.038 30 20 HCED COCC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1117719866 XKESIOKKDAOBHU-CABCVRRESA-N 402.407 0.458 30 20 HCED N#Cc1ccc(N2C[C@H](C(=O)NCc3nnc4c(=O)[nH]ccn34)CC2=O)cc1Cl 1133890897 QOXQWCAWUOHLJI-LLVKDONJSA-N 411.809 0.612 30 20 HCED CC(C)(CC#N)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1141961873 LFSWNWZQEMYBLF-HNNXBMFYSA-N 415.537 0.824 30 20 HCED N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)C1 1302979144 OFMWWDIJIAOHTP-MRXNPFEDSA-N 406.447 0.213 30 20 HCED CN1CC[C@@](O)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1 1314929176 VWKPPMPLHUCZMH-RXVVDRJESA-N 412.494 0.695 30 20 HCED CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCc1c(C)nn(CCC#N)c1C 1317767502 FZOPYQUBPJCVRF-INIZCTEOSA-N 423.539 0.498 30 20 HCED N#C[C@@H]1CN(S(=O)(=O)NCCNC(=O)c2ccccc2C(F)(F)F)CCO1 1321232175 RRCFMKTWOLGKIU-LLVKDONJSA-N 406.386 0.494 30 20 HCED N#CCc1ccc(OC[C@H](O)CN2CCC(NC(=O)N3CCOCC3)CC2)cc1 1473575475 YADRYNWGNCPGDB-LJQANCHMSA-N 402.495 0.999 30 20 HCED CCCN1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1500918244 POPBCDASYCQVLW-IRXDYDNUSA-N 401.515 0.975 30 20 HCED COCCN1C[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1519195660 RQJWAIXPARCUIC-ZACQAIPSSA-N 418.498 0.743 30 20 HCED CCOC(=O)[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1538203799 BAFZNMNGZLKEAD-AWEZNQCLSA-N 407.370 0.725 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2n[nH]c(C)n2)CCOC1 1547920298 VBHNVLMQXUNQCJ-RDTXWAMCSA-N 402.459 0.328 30 20 HCED COCCN(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1555527904 NCGQZRAEKZGIAJ-APWZRJJASA-N 424.571 0.888 30 20 HCED CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1=O 1618482984 QCJAIKVYRXCGOY-UHFFFAOYSA-N 423.477 0.533 30 20 HCED Cn1ccnc1[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CO 1627656365 QUDBXWAJCMTMJE-HNNXBMFYSA-N 405.480 0.335 30 20 HCED Cn1c(O)nc(N2CC[C@H](NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)C2)cc1=O 1652827160 JGVBMQPGXGGJNI-DOTOQJQBSA-N 408.462 0.721 30 20 HCED CN(CCS(=O)(=O)NCc1ccnc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 1657427296 XJDZJEUYYZFZPI-UHFFFAOYSA-N 412.468 0.832 30 20 HCED N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cn1 1662962187 NHSKSDAAPAUWGT-UHFFFAOYSA-N 421.504 0.294 30 20 HCED CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1710484251 SBRSJLNJNVYSBZ-VVWQDTPRSA-N 407.471 0.199 30 20 HCED Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNS(C)(=O)=O)c1 1751652727 KFGFABUELIDVTO-MRXNPFEDSA-N 420.495 0.444 30 20 HCED C=CCNC(=O)NC(=O)CN1CCC(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1753597912 XCRUARYSBVWAPA-BCDMZGRMSA-N 404.511 0.640 30 20 HCED CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1766861239 DRJCFMGRTMZGKW-SFHVURJKSA-N 409.494 0.816 30 20 HCED 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